A0A3Q0KHN0_SCHMA Loading...

AP-2 complex subunit alpha

Adaptins are components of the adaptor complexes which link clathrin to receptors in coated vesicles. Clathrin-associated protein complexes are believed to interact with the cytoplasmic tails of membrane proteins, leading to their selection and concentration.

AlphaFold DB , UniProt , Accession A0A3Q0KHN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 949 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
1M31.3Very low51.4Low233 Ų233115.4 Ų115.4100%1.14866%0.66SS**  0127.40-64.3-157.4-157.200108.5N3M1-N3 PolarHBondContact O-N 3.39Å
2P32.5Very low54Low127 Ų127107.8 Ų107.883%0.82562%0.615SS**  trans-66.9132171.716.2-8.5000108.8A4P2-A4 PolarHBondContact O-N 3Å
3N33Very low56.5Low143 Ų143104.1 Ų104.177%0.76561%0.606SS**  trans-51107.5179-82.9-34000110.7M1 K5M1-N3 PolarHBondContact O-N 3.39Å; N3-K5 HydrophobicContact CB-CG 4.47Å; N3-K5 PolarHBondContact O-N 3.34Å
4A42.3Very low58.8Low75 Ų75101.8 Ų101.862%0.6259%0.594SS**  trans-71.539.5177.500000113.3P2 G6 D7P2-A4 PolarHBondContact O-N 3Å; A4-G6 PolarHBondContact O-N 3.26Å; A4-D7 PolarHBondContact O-N 3.24Å
5K39.9Very low60.8Low192 Ų19295 Ų9584%0.83555%0.554SS**THydrogen-bonded Turntrans-63.6-18.6177.9-80.1-174174.7-178.60112.8N3N3-K5 HydrophobicContact CB-CG 4.47Å; N3-K5 PolarHBondContact O-N 3.34Å
6G44.3Very low62.7Low77 Ų7791.4 Ų91.479%0.79453%0.531SS*.THydrogen-bonded Turntrans-93-17.9178.900000116.2A4A4-G6 PolarHBondContact O-N 3.26Å
7D51.9Low64.3Low80 Ų8089.2 Ų89.243%0.42852%0.523SS..THydrogen-bonded Turntrans-111.6-0-166-143.61.6000113.7A4 M9 K55A4-D7 PolarHBondContact O-N 3.24Å; D7-M9 PolarHBondContact O-N 3.44Å; D7-K55 IonicContact OD1-NZ 2.71Å
8A59.6Low65.8Low73 Ų7387.4 Ų87.460%0.60351%0.511SS*.  trans-67.4117.1176.200000110.2R10A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 3.27Å
9M73.2Confident67.2Low36 Ų3683.5 Ų83.518%0.17749%0.487CS..  trans-66.681.1176.1-70.7177.1-77.100110.7D7 G11 L12 A13 Y52 K55 K56 C59D7-M9 PolarHBondContact O-N 3.44Å; M9-G11 PolarHBondContact O-N 3Å; M9-L12 HydrophobicContact CB-CB 3.92Å; M9-L12 HydrophobicContact CE-CD2 3.95Å; M9-L12 WeakPolarHBondContact O-CA 3.37Å; M9-L12 WeakPolarHBondContact O-CB 3.44Å; M9-L12 PolarHBondContact O-N 3.02Å; M9-A13 PolarHBondContact O-N 3.1Å; M9-A13 VanDerWaalsContact O-N 3.08Å; M9-Y52 HydrophobicContact CG-CE2 4.26Å; M9-K55 HydrophobicContact SD-CG 4.21Å; M9-K56 HydrophobicContact CB-CG 4.37Å; M9-K56 HydrophobicContact CG-CB 4.42Å; M9-K56 HydrophobicContact CG-CG 4.47Å; M9-K56 VanDerWaalsContact SD-CA 3.55Å; M9-K56 HydrophobicContact SD-CB 3.98Å; M9-K56 HydrophobicContact SD-CG 4.38Å; M9-C59 HydrophobicContact CE-CB 4.43Å
10R77.5Confident68.3Low205 Ų20589.4 Ų89.477%0.77450%0.501SS*.Hα-helixtrans-50.1-38.8-176.5-169.4173.8-177.71720.4112.4A8 L12 A13 V14A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 3.27Å; R10-L12 PolarHBondContact O-N 3.16Å; R10-A13 PolarHBondContact O-N 3.21Å; R10-V14 HydrophobicContact CG-CG2 4.44Å; R10-V14 WeakPolarHBondContact O-CB 3.36Å; R10-V14 VanDerWaalsContact O-CG2 3.26Å; R10-V14 WeakPolarHBondContact O-CG2 3.16Å; R10-V14 PolarHBondContact O-N 2.61Å
11G79.6Confident69.5Low28 Ų2890.6 Ų90.629%0.28951%0.506SS..Hα-helixtrans-65.9-29.917700000115.1M9 F15 K60M9-G11 PolarHBondContact O-N 3Å; G11-F15 PolarHBondContact O-N 3.26Å; G11-K60 WeakPolarHBondContact O-CE 3.48Å; G11-K60 PolarHBondContact O-NZ 3.33Å
12L82.8Confident72.3Confident24 Ų2481.2 Ų81.213%0.12646%0.463CS..Hα-helixtrans-75.7-45172.2176.165.8000110.4M9 R10 V14 F15 I16 C59 K60M9-L12 HydrophobicContact CB-CB 3.92Å; M9-L12 HydrophobicContact CE-CD2 3.95Å; M9-L12 WeakPolarHBondContact O-CA 3.37Å; M9-L12 WeakPolarHBondContact O-CB 3.44Å; M9-L12 PolarHBondContact O-N 3.02Å; R10-L12 PolarHBondContact O-N 3.16Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.17Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.07Å; L12-F15 VanDerWaalsContact O-N 3.12Å; L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.24Å; L12-I16 HydrophobicContact CG-CD1 3.88Å; L12-I16 HydrophobicContact CG-CG1 4.43Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.46Å; L12-C59 HydrophobicContact CD1-CB 4.32Å; L12-C59 HydrophobicContact CD2-CB 3.71Å; L12-K60 HydrophobicContact CD1-CB 4.38Å; L12-K60 HydrophobicContact CD1-CG 3.59Å
13A86.1Confident75Confident60 Ų6085.2 Ų85.250%0.49647%0.467SS..Hα-helixtrans-59.7-42.7178.200000112.3M9 R10 I16 S17M9-A13 PolarHBondContact O-N 3.1Å; M9-A13 VanDerWaalsContact O-N 3.08Å; R10-A13 PolarHBondContact O-N 3.21Å; A13-I16 PolarHBondContact O-N 2.94Å; A13-S17 WeakPolarHBondContact O-CB 3.32Å; A13-S17 PolarHBondContact O-N 3.45Å
14V88.7Confident77.7Confident72 Ų7281 Ų8144%0.43645%0.45SS..Hα-helixtrans-62-44.2174171.40000110.8R10 L12 S17 D18R10-V14 HydrophobicContact CG-CG2 4.44Å; R10-V14 WeakPolarHBondContact O-CB 3.36Å; R10-V14 VanDerWaalsContact O-CG2 3.26Å; R10-V14 WeakPolarHBondContact O-CG2 3.16Å; R10-V14 PolarHBondContact O-N 2.61Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.17Å; V14-S17 WeakPolarHBondContact O-CB 3.45Å; V14-S17 PolarHBondContact O-N 3.16Å; V14-D18 VanDerWaalsContact O-CG 3.24Å; V14-D18 PolarHBondContact O-N 3.35Å
15F90.1Very high79.8Confident0 Ų085.3 Ų85.30%045%0.454CS..Hα-helixtrans-62.3-45.7177.7176.8-114.9000112.5G11 L12 S17 D18 I19 R31 V32 E35 K60 F63 I64G11-F15 PolarHBondContact O-N 3.26Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.07Å; L12-F15 VanDerWaalsContact O-N 3.12Å; F15-S17 VanDerWaalsContact C-N 3.28Å; F15-S17 PolarHBondContact O-N 3.32Å; F15-D18 PolarHBondContact O-N 3.5Å; F15-I19 HydrophobicContact CD2-CG1 4.26Å; F15-I19 HydrophobicContact CE1-CG1 4.22Å; F15-I19 HydrophobicContact CE2-CD1 3.9Å; F15-I19 HydrophobicContact CE2-CG1 3.82Å; F15-I19 HydrophobicContact CZ-CD1 3.95Å; F15-I19 HydrophobicContact CZ-CG1 3.8Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 3.26Å; F15-R31 HydrophobicContact CE2-CG 4.39Å; F15-V32 HydrophobicContact CZ-CG2 4.45Å; F15-E35 HydrophobicContact CD2-CB 4.09Å; F15-E35 HydrophobicContact CD2-CG 3.77Å; F15-E35 HydrophobicContact CE2-CB 3.54Å; F15-E35 HydrophobicContact CE2-CG 3.64Å; F15-E35 HydrophobicContact CG-CG 4.28Å; F15-E35 HydrophobicContact CZ-CB 4.03Å; F15-E35 HydrophobicContact CZ-CG 4.04Å; F15-K60 HydrophobicContact CD1-CD 4.48Å; F15-K60 HydrophobicContact CD1-CG 4.14Å; F15-F63 HydrophobicContact CD1-CD1 4.25Å; F15-F63 AromaticContact CE1-CD1 3.92Å; F15-F63 HydrophobicContact CE1-CD1 3.92Å; F15-I64 HydrophobicContact CE1-CD1 3.97Å; F15-I64 HydrophobicContact CE1-CG1 3.66Å; F15-I64 HydrophobicContact CZ-CD1 3.78Å; F15-I64 HydrophobicContact CZ-CG1 3.65Å
16I90.2Very high82.2Confident37 Ų3782.3 Ų82.319%0.1944%0.443CS..Hα-helixtrans-60.5-40.7175.7-65.5170.8000110.5L12 A13 I19 R20 F63L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.24Å; L12-I16 HydrophobicContact CG-CD1 3.88Å; L12-I16 HydrophobicContact CG-CG1 4.43Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.46Å; A13-I16 PolarHBondContact O-N 2.94Å; I16-I19 PolarHBondContact O-N 3.16Å; I16-R20 WeakPolarHBondContact O-CB 3.43Å; I16-R20 WeakPolarHBondContact O-CG 3.13Å; I16-R20 PolarHBondContact O-N 3.38Å; I16-F63 HydrophobicContact CB-CE1 4.42Å; I16-F63 HydrophobicContact CB-CZ 4.33Å; I16-F63 HydrophobicContact CD1-CD2 4.29Å; I16-F63 HydrophobicContact CD1-CE2 4.3Å; I16-F63 HydrophobicContact CG1-CD1 4.02Å; I16-F63 HydrophobicContact CG1-CD2 4.21Å; I16-F63 HydrophobicContact CG1-CE1 3.83Å; I16-F63 HydrophobicContact CG1-CE2 4.06Å; I16-F63 HydrophobicContact CG1-CG 4.2Å; I16-F63 HydrophobicContact CG1-CZ 3.87Å; I16-F63 HydrophobicContact CG2-CE2 4.4Å; I16-F63 HydrophobicContact CG2-CZ 3.97Å
17S90.7Very high84.3Confident55 Ų5580.4 Ų80.439%0.38542%0.418SS..Hα-helixtrans-64.5-42.9175.5-170.10000112.3A13 V14 F15 I19 R20 N21A13-S17 WeakPolarHBondContact O-CB 3.32Å; A13-S17 PolarHBondContact O-N 3.45Å; V14-S17 WeakPolarHBondContact O-CB 3.45Å; V14-S17 PolarHBondContact O-N 3.16Å; F15-S17 VanDerWaalsContact C-N 3.28Å; F15-S17 PolarHBondContact O-N 3.32Å; S17-I19 VanDerWaalsContact C-N 3.33Å; S17-I19 PolarHBondContact O-N 3.05Å; S17-R20 PolarHBondContact O-N 2.76Å; S17-N21 WeakPolarHBondContact O-CB 3.46Å; S17-N21 PolarHBondContact O-N 2.76Å; S17-N21 PolarHBondContact O-ND2 3.27Å; S17-N21 PolarHBondContact OG-ND2 2.77Å
18D91.2Very high86.2Confident57 Ų5778.9 Ų78.931%0.30541%0.408SS..Hα-helixtrans-61-43.9177.7-69.6-14.1000110.9V14 F15 N21 C22 R31V14-D18 VanDerWaalsContact O-CG 3.24Å; V14-D18 PolarHBondContact O-N 3.35Å; F15-D18 PolarHBondContact O-N 3.5Å; D18-N21 PolarHBondContact O-N 2.95Å; D18-C22 PolarHBondContact O-N 2.98Å; D18-C22 PolarHBondContact O-SG 3.08Å; D18-R31 HydrophobicContact CB-CG 4.27Å; D18-R31 IonicContact OD2-CZ 3.82Å; D18-R31 IonicContact OD2-NE 3.16Å; D18-R31 PolarHBondContact OD2-NE 2.87Å; D18-R31 IonicContact OD2-NH2 2.6Å; D18-R31 PolarHBondContact OD2-NH2 2.93Å
19I91.4Very high87.8Confident12 Ų1278.4 Ų78.46%0.06240%0.395CS..Hα-helixtrans-62.7-47.8176.8-67.1-65.4000110.6F15 I16 S17 N21 C22 E28 R31 V32 F63 L67F15-I19 HydrophobicContact CD2-CG1 4.26Å; F15-I19 HydrophobicContact CE1-CG1 4.22Å; F15-I19 HydrophobicContact CE2-CD1 3.9Å; F15-I19 HydrophobicContact CE2-CG1 3.82Å; F15-I19 HydrophobicContact CZ-CD1 3.95Å; F15-I19 HydrophobicContact CZ-CG1 3.8Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 3.26Å; I16-I19 PolarHBondContact O-N 3.16Å; S17-I19 VanDerWaalsContact C-N 3.33Å; S17-I19 PolarHBondContact O-N 3.05Å; I19-N21 PolarHBondContact O-N 2.93Å; I19-C22 VanDerWaalsContact O-CB 3.29Å; I19-C22 WeakPolarHBondContact O-CB 3.47Å; I19-C22 PolarHBondContact O-N 3.46Å; I19-C22 VanDerWaalsContact O-N 3.08Å; I19-E28 HydrophobicContact CD1-CG 4.04Å; I19-E28 HydrophobicContact CG2-CG 4.2Å; I19-R31 HydrophobicContact CD1-CB 4.2Å; I19-R31 HydrophobicContact CD1-CG 3.94Å; I19-V32 HydrophobicContact CD1-CG2 3.56Å; I19-F63 HydrophobicContact CG2-CE1 4.4Å; I19-L67 HydrophobicContact CG2-CD1 3.91Å
20R90Very high88.6Confident201 Ų20185.2 Ų85.276%0.75842%0.418SS*.Hα-helixtrans-62.5-26.4176.9-73.2177.1176.4-173.3-1.6113.6I16 S17I16-R20 WeakPolarHBondContact O-CB 3.43Å; I16-R20 WeakPolarHBondContact O-CG 3.13Å; I16-R20 PolarHBondContact O-N 3.38Å; S17-R20 PolarHBondContact O-N 2.76Å
21N92.7Very high89.3Confident115 Ų11577.8 Ų77.862%0.61539%0.391SS*.THydrogen-bonded Turntrans-87.8-2.6178.3-70.5-23.3000113.4S17 D18 I19 K23S17-N21 WeakPolarHBondContact O-CB 3.46Å; S17-N21 PolarHBondContact O-N 2.76Å; S17-N21 PolarHBondContact O-ND2 3.27Å; S17-N21 PolarHBondContact OG-ND2 2.77Å; D18-N21 PolarHBondContact O-N 2.95Å; I19-N21 PolarHBondContact O-N 2.93Å; N21-K23 PolarHBondContact O-N 2.81Å
22C90.3Very high90Very high36 Ų3676.5 Ų76.524%0.24338%0.377CS..  trans-68.8124.1176-72.10000110.3D18 I19 S24 S27 E28D18-C22 PolarHBondContact O-N 2.98Å; D18-C22 PolarHBondContact O-SG 3.08Å; I19-C22 VanDerWaalsContact O-CB 3.29Å; I19-C22 WeakPolarHBondContact O-CB 3.47Å; I19-C22 PolarHBondContact O-N 3.46Å; I19-C22 VanDerWaalsContact O-N 3.08Å; C22-S24 VanDerWaalsContact C-N 3.34Å; C22-S27 WeakPolarHBondContact CB-OG 3.41Å; C22-E28 HydrophobicContact CB-CB 4.04Å
23K89.2Confident90.5Very high211 Ų21179.6 Ų79.692%0.91739%0.394SS*.SBendtrans-82.7-11.9-178-63.6-173.7178.5-177.10113.8N21 S27N21-K23 PolarHBondContact O-N 2.81Å; K23-S27 PolarHBondContact N-OG 2.97Å
24S89.6Confident90.9Very high56 Ų5684.2 Ų84.239%0.39240%0.402SS..SBendtrans-145.2152.6-178.265.60000111.1C22 E26 S27 E28C22-S24 VanDerWaalsContact C-N 3.34Å; S24-E26 PolarHBondContact O-N 3.16Å; S24-S27 PolarHBondContact N-OG 3.24Å; S24-S27 VanDerWaalsContact N-OG 3.09Å; S24-S27 PolarHBondContact O-N 3.08Å; S24-S27 VanDerWaalsContact O-N 3.09Å; S24-S27 PolarHBondContact O-OG 2.83Å; S24-S27 WeakPolarHBondContact OG-CB 3.48Å; S24-S27 PolarHBondContact OG-N 3.44Å; S24-S27 VanDerWaalsContact OG-N 3.1Å; S24-S27 PolarHBondContact OG-OG 3.43Å; S24-E28 PolarHBondContact O-N 3.29Å
25K87.9Confident91.1Very high165 Ų16581.2 Ų81.272%0.71738%0.384SS*.Hα-helixtrans-58.6-35.4174.3-167.7174.1-176177.10112.1E28 I29K25-E28 WeakPolarHBondContact O-CB 3.31Å; K25-E28 PolarHBondContact O-N 3.29Å; K25-I29 HydrophobicContact CG-CD1 4.11Å; K25-I29 WeakPolarHBondContact O-CD1 3.26Å; K25-I29 VanDerWaalsContact O-CG1 3.25Å; K25-I29 WeakPolarHBondContact O-CG1 3.42Å; K25-I29 PolarHBondContact O-N 2.88Å
26E88.7Confident91.3Very high128 Ų12881.6 Ų81.660%0.59839%0.386SS*.Hα-helixtrans-63.9-42.6174.7-66.5175.1-16900112.4S24 E28 I29 R30S24-E26 PolarHBondContact O-N 3.16Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.14Å; E26-I29 PolarHBondContact O-N 3.23Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 2.9Å; E26-R30 PolarHBondContact O-N 3.36Å
27S89.5Confident91.3Very high38 Ų3882.6 Ų82.627%0.26640%0.399SS..Hα-helixtrans-65-36.9176.360.30000112.2C22 K23 S24 R31C22-S27 WeakPolarHBondContact CB-OG 3.41Å; K23-S27 PolarHBondContact N-OG 2.97Å; S24-S27 PolarHBondContact N-OG 3.24Å; S24-S27 VanDerWaalsContact N-OG 3.09Å; S24-S27 PolarHBondContact O-N 3.08Å; S24-S27 VanDerWaalsContact O-N 3.09Å; S24-S27 PolarHBondContact O-OG 2.83Å; S24-S27 WeakPolarHBondContact OG-CB 3.48Å; S24-S27 PolarHBondContact OG-N 3.44Å; S24-S27 VanDerWaalsContact OG-N 3.1Å; S24-S27 PolarHBondContact OG-OG 3.43Å; S27-R31 WeakPolarHBondContact O-CB 3.46Å; S27-R31 PolarHBondContact O-N 2.86Å
28E91.3Very high91.4Very high47 Ų4782.9 Ų82.922%0.2240%0.397CS..Hα-helixtrans-63.1-52174-175.9-178.9165.900111I19 C22 S24 K25 E26 R30 R31 V32I19-E28 HydrophobicContact CD1-CG 4.04Å; I19-E28 HydrophobicContact CG2-CG 4.2Å; C22-E28 HydrophobicContact CB-CB 4.04Å; S24-E28 PolarHBondContact O-N 3.29Å; K25-E28 WeakPolarHBondContact O-CB 3.31Å; K25-E28 PolarHBondContact O-N 3.29Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.14Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.13Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 3.06Å; E28-V32 HydrophobicContact CG-CG2 4.42Å; E28-V32 WeakPolarHBondContact O-CG2 3.09Å; E28-V32 PolarHBondContact O-N 3.29Å
29I92Very high91.4Very high64 Ų6480.2 Ų80.233%0.32838%0.382SS..Hα-helixtrans-56.6-45.2177.8-68.2161.7000110.9K25 E26 R31 V32 N33K25-I29 HydrophobicContact CG-CD1 4.11Å; K25-I29 WeakPolarHBondContact O-CD1 3.26Å; K25-I29 VanDerWaalsContact O-CG1 3.25Å; K25-I29 WeakPolarHBondContact O-CG1 3.42Å; K25-I29 PolarHBondContact O-N 2.88Å; E26-I29 PolarHBondContact O-N 3.23Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 2.9Å; I29-V32 PolarHBondContact O-N 3.16Å; I29-N33 WeakPolarHBondContact O-CB 3.42Å; I29-N33 VanDerWaalsContact O-CG 3.27Å; I29-N33 PolarHBondContact O-N 2.82Å; I29-N33 PolarHBondContact O-ND2 3.49Å
30R91.7Very high91.4Very high178 Ų17883.8 Ų83.867%0.67240%0.395SS*.Hα-helixtrans-60.7-41.8176.8-72.1175.9-166.7-1788111.5E26 E28 K34E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 2.9Å; E26-R30 PolarHBondContact O-N 3.36Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.13Å; R30-K34 WeakPolarHBondContact O-CB 3.42Å; R30-K34 PolarHBondContact O-N 2.87Å
31R92.4Very high91.4Very high50 Ų5078 Ų7819%0.18939%0.386CS..Hα-helixtrans-68.6-40.6179.2-178.564.1-171.786.7-3.8112.2F15 D18 I19 S27 E28 I29 E35F15-R31 HydrophobicContact CE2-CG 4.39Å; D18-R31 HydrophobicContact CB-CG 4.27Å; D18-R31 IonicContact OD2-CZ 3.82Å; D18-R31 IonicContact OD2-NE 3.16Å; D18-R31 PolarHBondContact OD2-NE 2.87Å; D18-R31 IonicContact OD2-NH2 2.6Å; D18-R31 PolarHBondContact OD2-NH2 2.93Å; I19-R31 HydrophobicContact CD1-CB 4.2Å; I19-R31 HydrophobicContact CD1-CG 3.94Å; S27-R31 WeakPolarHBondContact O-CB 3.46Å; S27-R31 PolarHBondContact O-N 2.86Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 3.06Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 2.9Å; R31-E35 IonicContact CZ-OE2 2.83Å; R31-E35 IonicContact NH1-OE2 2.63Å; R31-E35 PolarHBondContact NH1-OE2 3.38Å; R31-E35 IonicContact NH2-OE2 2.62Å; R31-E35 PolarHBondContact NH2-OE2 2.81Å; R31-E35 VanDerWaalsContact NH2-OE2 3.08Å; R31-E35 PolarHBondContact O-N 3.08Å; R31-E35 VanDerWaalsContact O-N 3.08Å
32V94Very high91.2Very high0 Ų077 Ų770%038%0.376CS..Hα-helixtrans-62.8-50.8174.61700000110.2F15 I19 E28 I29 K34 E35 L36 I64F15-V32 HydrophobicContact CZ-CG2 4.45Å; I19-V32 HydrophobicContact CD1-CG2 3.56Å; E28-V32 HydrophobicContact CG-CG2 4.42Å; E28-V32 WeakPolarHBondContact O-CG2 3.09Å; E28-V32 PolarHBondContact O-N 3.29Å; I29-V32 PolarHBondContact O-N 3.16Å; V32-K34 VanDerWaalsContact C-N 3.31Å; V32-K34 PolarHBondContact O-N 3.37Å; V32-E35 CarbonylContact O-C 3.49Å; V32-E35 WeakPolarHBondContact O-CA 3.18Å; V32-E35 WeakPolarHBondContact O-CB 3.47Å; V32-E35 PolarHBondContact O-N 3.18Å; V32-L36 HydrophobicContact CG1-CD1 3.95Å; V32-L36 HydrophobicContact CG1-CG 4.21Å; V32-L36 WeakPolarHBondContact O-CG 3.5Å; V32-L36 PolarHBondContact O-N 3.09Å; V32-I64 HydrophobicContact CG1-CD1 4.32Å; V32-I64 HydrophobicContact CG1-CG1 4.25Å; V32-I64 HydrophobicContact CG1-CG2 3.6Å
33N92.8Very high91.1Very high90 Ų9076.7 Ų76.748%0.48137%0.37SS..Hα-helixtrans-59.3-41.1179.1-74.5-18.7000112.3I29 E35 L36 A37I29-N33 WeakPolarHBondContact O-CB 3.42Å; I29-N33 VanDerWaalsContact O-CG 3.27Å; I29-N33 PolarHBondContact O-N 2.82Å; I29-N33 PolarHBondContact O-ND2 3.49Å; N33-E35 VanDerWaalsContact C-N 3.32Å; N33-E35 PolarHBondContact O-N 3.12Å; N33-L36 PolarHBondContact O-N 3.49Å; N33-A37 WeakPolarHBondContact O-CB 3.4Å; N33-A37 PolarHBondContact O-N 3.3Å
34K93.8Very high90.8Very high156 Ų15676.9 Ų76.968%0.67837%0.365SS*.Hα-helixtrans-61.2-40.9173.6-174.8177.3-178.9177.60111.9R30 V32 N38R30-K34 WeakPolarHBondContact O-CB 3.42Å; R30-K34 PolarHBondContact O-N 2.87Å; V32-K34 VanDerWaalsContact C-N 3.31Å; V32-K34 PolarHBondContact O-N 3.37Å; K34-N38 PolarHBondContact O-N 3.43Å; K34-N38 VanDerWaalsContact O-N 3.13Å
35E93.7Very high90.1Very high10 Ų1076.1 Ų76.15%0.04737%0.367CS..Hα-helixtrans-69.3-44.4177.2-161.465.5-150.400111.7F15 R31 V32 N33 A37 N38 I39 K60F15-E35 HydrophobicContact CD2-CB 4.09Å; F15-E35 HydrophobicContact CD2-CG 3.77Å; F15-E35 HydrophobicContact CE2-CB 3.54Å; F15-E35 HydrophobicContact CE2-CG 3.64Å; F15-E35 HydrophobicContact CG-CG 4.28Å; F15-E35 HydrophobicContact CZ-CB 4.03Å; F15-E35 HydrophobicContact CZ-CG 4.04Å; R31-E35 IonicContact CZ-OE2 2.83Å; R31-E35 IonicContact NH1-OE2 2.63Å; R31-E35 PolarHBondContact NH1-OE2 3.38Å; R31-E35 IonicContact NH2-OE2 2.62Å; R31-E35 PolarHBondContact NH2-OE2 2.81Å; R31-E35 VanDerWaalsContact NH2-OE2 3.08Å; R31-E35 PolarHBondContact O-N 3.08Å; R31-E35 VanDerWaalsContact O-N 3.08Å; V32-E35 CarbonylContact O-C 3.49Å; V32-E35 WeakPolarHBondContact O-CA 3.18Å; V32-E35 WeakPolarHBondContact O-CB 3.47Å; V32-E35 PolarHBondContact O-N 3.18Å; N33-E35 VanDerWaalsContact C-N 3.32Å; N33-E35 PolarHBondContact O-N 3.12Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.04Å; E35-N38 WeakPolarHBondContact O-CB 3.3Å; E35-N38 PolarHBondContact O-N 3.02Å; E35-N38 VanDerWaalsContact O-N 3.14Å; E35-I39 HydrophobicContact CG-CD1 4.09Å; E35-I39 HydrophobicContact CG-CG1 4.46Å; E35-I39 VanDerWaalsContact O-CG1 3.28Å; E35-I39 WeakPolarHBondContact O-CG1 3.37Å; E35-I39 PolarHBondContact O-N 3.44Å; E35-K60 HydrophobicContact CG-CD 4.12Å; E35-K60 WeakPolarHBondContact OE1-CD 3.24Å; E35-K60 IonicContact OE1-NZ 2.65Å; E35-K60 PolarHBondContact OE1-NZ 2.94Å; E35-K60 IonicContact OE2-NZ 2.64Å
36L93.5Very high88.8Confident8 Ų876.5 Ų76.54%0.04238%0.376CS..Hα-helixtrans-57.7-45.5176.2-71176.2000111.1V32 N33 N38 I39 R40 L61 I64 I71 F73V32-L36 HydrophobicContact CG1-CD1 3.95Å; V32-L36 HydrophobicContact CG1-CG 4.21Å; V32-L36 WeakPolarHBondContact O-CG 3.5Å; V32-L36 PolarHBondContact O-N 3.09Å; N33-L36 PolarHBondContact O-N 3.49Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 3.01Å; L36-I39 PolarHBondContact O-N 2.95Å; L36-R40 WeakPolarHBondContact O-CG 3.35Å; L36-R40 PolarHBondContact O-N 3.3Å; L36-L61 HydrophobicContact CD2-CD2 3.63Å; L36-I64 HydrophobicContact CD2-CD1 3.74Å; L36-I64 HydrophobicContact CD2-CG2 4.27Å; L36-I64 HydrophobicContact CG-CD1 4.12Å; L36-I71 HydrophobicContact CD2-CD1 3.74Å; L36-F73 HydrophobicContact CB-CZ 4.46Å; L36-F73 HydrophobicContact CD2-CE1 3.99Å; L36-F73 HydrophobicContact CD2-CZ 3.97Å
37A91.4Very high88Confident57 Ų5779.4 Ų79.447%0.47139%0.387SS..Hα-helixtrans-60.1-42.9175.900000112.2N33 E35 R40 S41N33-A37 WeakPolarHBondContact O-CB 3.4Å; N33-A37 PolarHBondContact O-N 3.3Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.04Å; A37-R40 PolarHBondContact O-N 2.79Å; A37-S41 PolarHBondContact O-N 3.46Å
38N91.8Very high87.1Confident62 Ų6284.2 Ų84.233%0.33242%0.415SS..Hα-helixtrans-61.6-45.1175177.147.3000111.6K34 E35 L36 S41 K42K34-N38 PolarHBondContact O-N 3.43Å; K34-N38 VanDerWaalsContact O-N 3.13Å; E35-N38 WeakPolarHBondContact O-CB 3.3Å; E35-N38 PolarHBondContact O-N 3.02Å; E35-N38 VanDerWaalsContact O-N 3.14Å; L36-N38 VanDerWaalsContact C-N 3.34Å; L36-N38 PolarHBondContact O-N 3.01Å; N38-S41 PolarHBondContact O-N 3.2Å; N38-K42 VanDerWaalsContact O-CG 3.32Å; N38-K42 WeakPolarHBondContact O-CG 3.35Å; N38-K42 PolarHBondContact O-N 2.87Å
39I92.5Very high86.6Confident0 Ų083.7 Ų83.70%041%0.414CS..Hα-helixtrans-65.1-45.1179.3-59.4168000110.7E35 L36 S41 K42 F43 Y57 K60 L61 F73E35-I39 HydrophobicContact CG-CD1 4.09Å; E35-I39 HydrophobicContact CG-CG1 4.46Å; E35-I39 VanDerWaalsContact O-CG1 3.28Å; E35-I39 WeakPolarHBondContact O-CG1 3.37Å; E35-I39 PolarHBondContact O-N 3.44Å; L36-I39 PolarHBondContact O-N 2.95Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.88Å; I39-K42 PolarHBondContact O-N 2.89Å; I39-K42 VanDerWaalsContact O-N 3.08Å; I39-F43 HydrophobicContact CG2-CD1 4.25Å; I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE1 3.96Å; I39-F43 HydrophobicContact CG2-CE2 3.67Å; I39-F43 HydrophobicContact CG2-CG 4.3Å; I39-F43 HydrophobicContact CG2-CZ 3.65Å; I39-F43 PolarHBondContact O-N 3.39Å; I39-Y57 HydrophobicContact CG1-CD1 3.82Å; I39-Y57 HydrophobicContact CG1-CG 4.44Å; I39-Y57 HydrophobicContact CG2-CD1 4.41Å; I39-Y57 HydrophobicContact CG2-CG 4.23Å; I39-K60 HydrophobicContact CD1-CB 3.8Å; I39-K60 HydrophobicContact CD1-CD 4.31Å; I39-L61 HydrophobicContact CD1-CD2 3.81Å; I39-L61 HydrophobicContact CD1-CG 4.12Å; I39-L61 HydrophobicContact CG2-CD1 4.28Å; I39-L61 HydrophobicContact CG2-CD2 4.32Å; I39-L61 HydrophobicContact CG2-CG 4.34Å; I39-F73 HydrophobicContact CB-CE2 4.11Å; I39-F73 HydrophobicContact CB-CZ 4.29Å; I39-F73 HydrophobicContact CG2-CE2 3.8Å; I39-F73 HydrophobicContact CG2-CZ 4.4Å
40R90.4Very high86.3Confident88 Ų8884.9 Ų84.933%0.33242%0.421SS..Hα-helixtrans-55.2-45.8175.2-70.8-175.5-137.5-119.40.5111.4L36 A37 K42 F43 R44 D72 F73L36-R40 WeakPolarHBondContact O-CG 3.35Å; L36-R40 PolarHBondContact O-N 3.3Å; A37-R40 PolarHBondContact O-N 2.79Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 3.46Å; R40-F43 PolarHBondContact O-N 2.95Å; R40-R44 WeakPolarHBondContact O-CB 3.3Å; R40-R44 WeakPolarHBondContact O-CG 3.39Å; R40-R44 PolarHBondContact O-N 2.85Å; R40-D72 IonicContact CZ-OD1 3.22Å; R40-D72 IonicContact NH1-OD1 3.29Å; R40-D72 PolarHBondContact NH1-OD1 2.83Å; R40-D72 IonicContact NH1-OD2 3.91Å; R40-D72 PolarHBondContact NH1-OD2 3.32Å; R40-D72 IonicContact NH2-OD1 2.59Å; R40-F73 HydrophobicContact CB-CE2 4.27Å; R40-F73 HydrophobicContact CB-CZ 4.4Å; R40-F73 HydrophobicContact CG-CD1 3.84Å; R40-F73 HydrophobicContact CG-CD2 3.82Å; R40-F73 HydrophobicContact CG-CE1 3.49Å; R40-F73 VanDerWaalsContact CG-CE1 3.49Å; R40-F73 HydrophobicContact CG-CE2 3.45Å; R40-F73 VanDerWaalsContact CG-CE2 3.45Å; R40-F73 HydrophobicContact CG-CG 4.02Å; R40-F73 HydrophobicContact CG-CZ 3.3Å
41S89.6Confident85.9Confident80 Ų8077.4 Ų77.456%0.55940%0.399SS*.Hα-helixtrans-62.2-40.3177.2175.60000112.2A37 N38 I39 R44 G45A37-S41 PolarHBondContact O-N 3.46Å; N38-S41 PolarHBondContact O-N 3.2Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.88Å; S41-R44 PolarHBondContact O-N 2.98Å; S41-G45 PolarHBondContact O-N 3.35Å
42K88.5Confident85.7Confident94 Ų9478.2 Ų78.241%0.40940%0.402SS..Hα-helixtrans-68.5-34.9177.6-67.8-65.2178.1-167.90113.2N38 I39 R40 L49 Y57N38-K42 VanDerWaalsContact O-CG 3.32Å; N38-K42 WeakPolarHBondContact O-CG 3.35Å; N38-K42 PolarHBondContact O-N 2.87Å; I39-K42 PolarHBondContact O-N 2.89Å; I39-K42 VanDerWaalsContact O-N 3.08Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 3.46Å; K42-L49 WeakPolarHBondContact O-CD1 3.41Å; K42-Y57 HydrophobicContact CB-CD2 4.44Å; K42-Y57 HydrophobicContact CB-CE2 3.94Å; K42-Y57 HydrophobicContact CG-CE1 4.49Å; K42-Y57 HydrophobicContact CG-CE2 4.09Å
43F88.3Confident85.4Confident29 Ų2980.7 Ų80.713%0.12741%0.414CS..Hα-helixtrans-75.1-31.7177.5-72.7-1.3000112.8I39 R40 L49 Y57 V58 L61 F73 E77I39-F43 HydrophobicContact CG2-CD1 4.25Å; I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE1 3.96Å; I39-F43 HydrophobicContact CG2-CE2 3.67Å; I39-F43 HydrophobicContact CG2-CG 4.3Å; I39-F43 HydrophobicContact CG2-CZ 3.65Å; I39-F43 PolarHBondContact O-N 3.39Å; R40-F43 PolarHBondContact O-N 2.95Å; F43-L49 HydrophobicContact CD1-CD1 3.49Å; F43-L49 VanDerWaalsContact CD1-CD1 3.49Å; F43-L49 HydrophobicContact CE1-CD1 3.85Å; F43-Y57 AromaticContact CE1-CD2 3.91Å; F43-Y57 HydrophobicContact CE1-CD2 3.91Å; F43-Y57 HydrophobicContact CE1-CG 4.08Å; F43-V58 HydrophobicContact CZ-CG2 4.47Å; F43-L61 HydrophobicContact CE2-CD1 3.81Å; F43-L61 HydrophobicContact CZ-CD1 4.32Å; F43-F73 AromaticContact CD2-CD2 3.96Å; F43-F73 HydrophobicContact CD2-CD2 3.96Å; F43-F73 HydrophobicContact CD2-CE2 4.16Å; F43-F73 HydrophobicContact CE2-CD2 4.36Å; F43-F73 HydrophobicContact CE2-CE2 4.39Å; F43-E77 WeakPolarHBondContact CB-OE1 3.31Å; F43-E77 HydrophobicContact CD1-CG 4.05Å; F43-E77 VanDerWaalsContact CD2-CD 3.44Å; F43-E77 HydrophobicContact CD2-CG 3.82Å; F43-E77 WeakPolarHBondContact CD2-OE1 3.34Å; F43-E77 HydrophobicContact CE1-CB 4.47Å; F43-E77 HydrophobicContact CE1-CG 4.05Å; F43-E77 HydrophobicContact CE2-CB 4.07Å; F43-E77 HydrophobicContact CE2-CG 3.85Å; F43-E77 HydrophobicContact CG-CG 3.94Å; F43-E77 WeakPolarHBondContact CG-OE1 3.4Å; F43-E77 HydrophobicContact CZ-CB 4.03Å; F43-E77 HydrophobicContact CZ-CG 3.95Å
44R82.4Confident85.3Confident214 Ų21478.7 Ų78.781%0.80840%0.401SS*.Hα-helixtrans-81.7-12.6176-70-176.3-179.2-157.70.2115R40 S41R40-R44 WeakPolarHBondContact O-CB 3.3Å; R40-R44 WeakPolarHBondContact O-CG 3.39Å; R40-R44 PolarHBondContact O-N 2.85Å; S41-R44 PolarHBondContact O-N 2.98Å
45G76.4Confident85.1Confident41 Ų4171.7 Ų71.742%0.42337%0.37SS..SBendtrans-67.9148-175.200000113S41 K47S41-G45 PolarHBondContact O-N 3.35Å; G45-K47 PolarHBondContact O-N 3.36Å; G45-K47 VanDerWaalsContact O-N 3.14Å
46D60.7Low85Confident173 Ų17372.4 Ų72.493%0.92537%0.373SS*.SBendtrans-62.9-21.6-177.6-65.4-32.6000114.3T48D46-T48 PolarHBondContact O-N 2.91Å
47K70.3Confident85Confident188 Ų18872.7 Ų72.782%0.81737%0.374SS*.SBendtrans-78.9116.8177.3-66.4-171.1-179.5-174.90109.5G45 L49G45-K47 PolarHBondContact O-N 3.36Å; G45-K47 VanDerWaalsContact O-N 3.14Å; K47-L49 PolarHBondContact O-N 3.28Å
48T71.8Confident85.1Confident140 Ų14070 Ų7086%0.85935%0.352SS*.  trans-54.1115.717148.40000109.9D46 D50D46-T48 PolarHBondContact O-N 2.91Å; T48-D50 PolarHBondContact O-N 3.34Å
49L80.6Confident85.1Confident36 Ų3667.7 Ų67.719%0.18834%0.34CS..  trans-67133.3177.8-69.1173.9000110K42 F43 K47 Q53 K54 Y57K42-L49 WeakPolarHBondContact O-CD1 3.41Å; F43-L49 HydrophobicContact CD1-CD1 3.49Å; F43-L49 VanDerWaalsContact CD1-CD1 3.49Å; F43-L49 HydrophobicContact CE1-CD1 3.85Å; K47-L49 PolarHBondContact O-N 3.28Å; L49-Q53 HydrophobicContact CB-CB 4.48Å; L49-Q53 HydrophobicContact CD2-CB 4.14Å; L49-K54 HydrophobicContact CB-CD 4.39Å; L49-K54 HydrophobicContact CB-CG 3.73Å; L49-K54 HydrophobicContact CD1-CG 4.36Å; L49-K54 WeakPolarHBondContact O-CE 3.08Å; L49-K54 PolarHBondContact O-NZ 3.14Å; L49-Y57 HydrophobicContact CD1-CD2 4.33Å; L49-Y57 HydrophobicContact CD2-CE2 4.5Å
50D84.9Confident85.2Confident89 Ų8968.2 Ų68.248%0.47634%0.342SS..  trans-64164.1169.874.337.1000111.5T48 Y52 Q53 K54T48-D50 PolarHBondContact O-N 3.34Å; D50-Y52 VanDerWaalsContact C-N 3.28Å; D50-Y52 PolarHBondContact O-N 2.91Å; D50-Y52 WeakPolarHBondContact OD1-CA 3.43Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.43Å; D50-Y52 PolarHBondContact OD1-N 3.31Å; D50-Q53 PolarHBondContact O-N 2.88Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.46Å; D50-Q53 PolarHBondContact OD1-N 3.29Å; D50-K54 WeakPolarHBondContact O-CG 3.23Å; D50-K54 PolarHBondContact O-N 2.81Å
51G84.4Confident85.3Confident20 Ų2064 Ų6421%0.20633%0.327CS..Hα-helixtrans-60.2-33.6-179.400000113.9K55G51-K55 VanDerWaalsContact O-CB 3.24Å; G51-K55 WeakPolarHBondContact O-CB 3.37Å; G51-K55 PolarHBondContact O-N 3.14Å
52Y87.4Confident85.5Confident68 Ų6861 Ų6127%0.26730%0.304SS..Hα-helixtrans-70.4-43.9179.8177-90000112.1M9 D50 K55 K56M9-Y52 HydrophobicContact CG-CE2 4.26Å; D50-Y52 VanDerWaalsContact C-N 3.28Å; D50-Y52 PolarHBondContact O-N 2.91Å; D50-Y52 WeakPolarHBondContact OD1-CA 3.43Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.43Å; D50-Y52 PolarHBondContact OD1-N 3.31Å; Y52-K55 PolarHBondContact O-N 3.4Å; Y52-K56 WeakPolarHBondContact O-CB 3.23Å; Y52-K56 PolarHBondContact O-N 2.9Å
53Q88.5Confident85.7Confident51 Ų5158.8 Ų58.824%0.23830%0.295CS..Hα-helixtrans-65.4-44.3176.6-65.2-59-41.200110.5L49 D50 K56 Y57L49-Q53 HydrophobicContact CB-CB 4.48Å; L49-Q53 HydrophobicContact CD2-CB 4.14Å; D50-Q53 PolarHBondContact O-N 2.88Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.46Å; D50-Q53 PolarHBondContact OD1-N 3.29Å; Q53-K56 PolarHBondContact O-N 3.43Å; Q53-Y57 HydrophobicContact CB-CD2 4.46Å; Q53-Y57 HydrophobicContact CB-CE2 4.15Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.45Å; Q53-Y57 PolarHBondContact O-N 3.13Å
54K89.9Confident85.9Confident48 Ų4857.4 Ų57.421%0.20929%0.288CS..Hα-helixtrans-57.1-53.2173.6-74.6176.2179.3168.20110.8L49 D50 K56 Y57 V58 L81L49-K54 HydrophobicContact CB-CD 4.39Å; L49-K54 HydrophobicContact CB-CG 3.73Å; L49-K54 HydrophobicContact CD1-CG 4.36Å; L49-K54 WeakPolarHBondContact O-CE 3.08Å; L49-K54 PolarHBondContact O-NZ 3.14Å; D50-K54 WeakPolarHBondContact O-CG 3.23Å; D50-K54 PolarHBondContact O-N 2.81Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 3.35Å; K54-Y57 PolarHBondContact O-N 3.13Å; K54-Y57 VanDerWaalsContact O-N 3.15Å; K54-V58 WeakPolarHBondContact O-CB 3.3Å; K54-V58 VanDerWaalsContact O-CG2 3.3Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 3.45Å; K54-L81 HydrophobicContact CB-CD2 3.74Å; K54-L81 HydrophobicContact CB-CG 4.34Å
55K91Very high86.4Confident9 Ų950.5 Ų50.54%0.03926%0.264CS..Hα-helixtrans-49.8-50.9175-178.6-178.669.4173.10111.7D7 M9 G51 Y52 Y57 V58 C59 T88 E89 I92D7-K55 IonicContact OD1-NZ 2.71Å; M9-K55 HydrophobicContact SD-CG 4.21Å; G51-K55 VanDerWaalsContact O-CB 3.24Å; G51-K55 WeakPolarHBondContact O-CB 3.37Å; G51-K55 PolarHBondContact O-N 3.14Å; Y52-K55 PolarHBondContact O-N 3.4Å; K55-Y57 PolarHBondContact O-N 3.46Å; K55-V58 PolarHBondContact O-N 3.05Å; K55-C59 PolarHBondContact O-N 3.2Å; K55-C59 PolarHBondContact O-SG 3.21Å; K55-T88 VanDerWaalsContact CD-O 3.26Å; K55-T88 WeakPolarHBondContact CD-O 3.28Å; K55-T88 PolarHBondContact NZ-OG1 3Å; K55-E89 HydrophobicContact CB-CG 4.38Å; K55-E89 HydrophobicContact CD-CG 4.27Å; K55-I92 HydrophobicContact CD-CG1 4.23Å; K55-I92 HydrophobicContact CG-CB 4.11Å; K55-I92 HydrophobicContact CG-CG1 3.82Å; K55-I92 HydrophobicContact CG-CG2 4.3Å
56K91.3Very high87.1Confident26 Ų2654.3 Ų54.311%0.11327%0.274CS..Hα-helixtrans-58.5-45.2-180-176.3-167.675.3-177.60112.8M9 Y52 Q53 K54 K60M9-K56 HydrophobicContact CB-CG 4.37Å; M9-K56 HydrophobicContact CG-CB 4.42Å; M9-K56 HydrophobicContact CG-CG 4.47Å; M9-K56 VanDerWaalsContact SD-CA 3.55Å; M9-K56 HydrophobicContact SD-CB 3.98Å; M9-K56 HydrophobicContact SD-CG 4.38Å; Y52-K56 WeakPolarHBondContact O-CB 3.23Å; Y52-K56 PolarHBondContact O-N 2.9Å; Q53-K56 PolarHBondContact O-N 3.43Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 3.35Å; K56-K60 PolarHBondContact O-N 3.39Å
57Y92.8Very high88.5Confident14 Ų1449.3 Ų49.36%0.05525%0.247CC..Hα-helixtrans-74.7-39-178.8-67.5-50.6000112.4I39 K42 F43 L49 Q53 K54 K55 C59 K60 L61I39-Y57 HydrophobicContact CG1-CD1 3.82Å; I39-Y57 HydrophobicContact CG1-CG 4.44Å; I39-Y57 HydrophobicContact CG2-CD1 4.41Å; I39-Y57 HydrophobicContact CG2-CG 4.23Å; K42-Y57 HydrophobicContact CB-CD2 4.44Å; K42-Y57 HydrophobicContact CB-CE2 3.94Å; K42-Y57 HydrophobicContact CG-CE1 4.49Å; K42-Y57 HydrophobicContact CG-CE2 4.09Å; F43-Y57 AromaticContact CE1-CD2 3.91Å; F43-Y57 HydrophobicContact CE1-CD2 3.91Å; F43-Y57 HydrophobicContact CE1-CG 4.08Å; L49-Y57 HydrophobicContact CD1-CD2 4.33Å; L49-Y57 HydrophobicContact CD2-CE2 4.5Å; Q53-Y57 HydrophobicContact CB-CD2 4.46Å; Q53-Y57 HydrophobicContact CB-CE2 4.15Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.45Å; Q53-Y57 PolarHBondContact O-N 3.13Å; K54-Y57 PolarHBondContact O-N 3.13Å; K54-Y57 VanDerWaalsContact O-N 3.15Å; K55-Y57 PolarHBondContact O-N 3.46Å; Y57-C59 VanDerWaalsContact C-N 3.33Å; Y57-C59 PolarHBondContact O-N 2.87Å; Y57-K60 HydrophobicContact CD1-CD 4.43Å; Y57-K60 WeakPolarHBondContact O-CB 3.2Å; Y57-K60 PolarHBondContact O-N 3.28Å; Y57-K60 VanDerWaalsContact O-N 3.07Å; Y57-L61 WeakPolarHBondContact O-CG 3.36Å; Y57-L61 PolarHBondContact O-N 3.28Å
58V93Very high89.4Confident0 Ų043.5 Ų43.50%024%0.241CC..Hα-helixtrans-60.7-41.8173.4173.80000110.8F43 K54 K55 K60 L61 L62 E77 A78 L81 I92 F96F43-V58 HydrophobicContact CZ-CG2 4.47Å; K54-V58 WeakPolarHBondContact O-CB 3.3Å; K54-V58 VanDerWaalsContact O-CG2 3.3Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 3.45Å; K55-V58 PolarHBondContact O-N 3.05Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.47Å; V58-L61 PolarHBondContact O-N 2.89Å; V58-L62 PolarHBondContact O-N 3.45Å; V58-E77 HydrophobicContact CG2-CB 4.32Å; V58-A78 HydrophobicContact CG1-CB 4.09Å; V58-A78 HydrophobicContact CG2-CB 4.39Å; V58-L81 HydrophobicContact CB-CD1 4.11Å; V58-L81 HydrophobicContact CG1-CD1 4.3Å; V58-L81 HydrophobicContact CG2-CD1 3.91Å; V58-I92 HydrophobicContact CB-CG2 4.13Å; V58-I92 HydrophobicContact CG1-CG2 3.75Å; V58-F96 HydrophobicContact CG1-CB 3.74Å; V58-F96 HydrophobicContact CG1-CD2 3.47Å; V58-F96 VanDerWaalsContact CG1-CD2 3.47Å; V58-F96 HydrophobicContact CG1-CE2 4.18Å; V58-F96 HydrophobicContact CG1-CG 3.69Å
59C92.8Very high90.3Very high13 Ų1338.9 Ų38.99%0.08821%0.209CC..Hα-helixtrans-60.5-37.3172.6-72.30000113.2M9 L12 K55 Y57 F63 I92M9-C59 HydrophobicContact CE-CB 4.43Å; L12-C59 HydrophobicContact CD1-CB 4.32Å; L12-C59 HydrophobicContact CD2-CB 3.71Å; K55-C59 PolarHBondContact O-N 3.2Å; K55-C59 PolarHBondContact O-SG 3.21Å; Y57-C59 VanDerWaalsContact C-N 3.33Å; Y57-C59 PolarHBondContact O-N 2.87Å; C59-F63 WeakPolarHBondContact O-CB 3.21Å; C59-F63 PolarHBondContact O-N 3.14Å; C59-I92 WeakPolarHBondContact SG-CD1 3.24Å; C59-I92 VanDerWaalsContact SG-CG2 3.51Å
60K93.4Very high90.6Very high12 Ų1244 Ų445%0.05224%0.237CC..Hα-helixtrans-65.6-43.4175.8-75.1-177.8172.3-169.10111.2G11 L12 F15 E35 I39 K56 Y57 V58 F63 I64G11-K60 WeakPolarHBondContact O-CE 3.48Å; G11-K60 PolarHBondContact O-NZ 3.33Å; L12-K60 HydrophobicContact CD1-CB 4.38Å; L12-K60 HydrophobicContact CD1-CG 3.59Å; F15-K60 HydrophobicContact CD1-CD 4.48Å; F15-K60 HydrophobicContact CD1-CG 4.14Å; E35-K60 HydrophobicContact CG-CD 4.12Å; E35-K60 WeakPolarHBondContact OE1-CD 3.24Å; E35-K60 IonicContact OE1-NZ 2.65Å; E35-K60 PolarHBondContact OE1-NZ 2.94Å; E35-K60 IonicContact OE2-NZ 2.64Å; I39-K60 HydrophobicContact CD1-CB 3.8Å; I39-K60 HydrophobicContact CD1-CD 4.31Å; K56-K60 PolarHBondContact O-N 3.39Å; Y57-K60 HydrophobicContact CD1-CD 4.43Å; Y57-K60 WeakPolarHBondContact O-CB 3.2Å; Y57-K60 PolarHBondContact O-N 3.28Å; Y57-K60 VanDerWaalsContact O-N 3.07Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.47Å; K60-F63 PolarHBondContact O-N 3.16Å; K60-I64 VanDerWaalsContact O-CG1 3.23Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 2.94Å
61L94.2Very high90.8Very high0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-61.9-44.9176-65.7176.4000111.3L36 I39 F43 Y57 V58 F63 I64 F65 I71 F73 F96L36-L61 HydrophobicContact CD2-CD2 3.63Å; I39-L61 HydrophobicContact CD1-CD2 3.81Å; I39-L61 HydrophobicContact CD1-CG 4.12Å; I39-L61 HydrophobicContact CG2-CD1 4.28Å; I39-L61 HydrophobicContact CG2-CD2 4.32Å; I39-L61 HydrophobicContact CG2-CG 4.34Å; F43-L61 HydrophobicContact CE2-CD1 3.81Å; F43-L61 HydrophobicContact CZ-CD1 4.32Å; Y57-L61 WeakPolarHBondContact O-CG 3.36Å; Y57-L61 PolarHBondContact O-N 3.28Å; V58-L61 PolarHBondContact O-N 2.89Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.22Å; L61-I64 PolarHBondContact O-N 2.99Å; L61-F65 WeakPolarHBondContact O-CB 3.38Å; L61-F65 PolarHBondContact O-N 3.45Å; L61-I71 HydrophobicContact CB-CG2 4.37Å; L61-I71 HydrophobicContact CD2-CD1 4.05Å; L61-I71 HydrophobicContact CD2-CG2 4.41Å; L61-F73 HydrophobicContact CD1-CE2 4.2Å; L61-F73 HydrophobicContact CD2-CE1 4.31Å; L61-F73 HydrophobicContact CD2-CE2 4Å; L61-F73 HydrophobicContact CD2-CZ 3.66Å; L61-F96 HydrophobicContact CB-CE2 3.81Å
62L92.3Very high90.9Very high16 Ų1644.8 Ų44.88%0.08424%0.237CC..Hα-helixtrans-58.3-44.1174.5-177.460.3000111.8V58 F65 L66 L95 F96 V99 L100V58-L62 PolarHBondContact O-N 3.45Å; L62-F65 WeakPolarHBondContact O-CB 3.28Å; L62-F65 PolarHBondContact O-N 3.35Å; L62-L66 HydrophobicContact CG-CD1 4.35Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.1Å; L62-L95 HydrophobicContact CD2-CD2 3.64Å; L62-L95 HydrophobicContact CD2-CG 3.79Å; L62-F96 HydrophobicContact CB-CD2 4.09Å; L62-V99 HydrophobicContact CD1-CB 4.15Å; L62-V99 HydrophobicContact CD1-CG1 4.03Å; L62-L100 HydrophobicContact CD1-CD1 3.42Å; L62-L100 VanDerWaalsContact CD1-CD1 3.42Å
63F92.5Very high91.1Very high48 Ų4843 Ų4321%0.21123%0.23CC..Hα-helixtrans-64.7-41.4177.5-174.7-102.3000112.1F15 I16 I19 C59 K60 L61 F65 L66 L67F15-F63 HydrophobicContact CD1-CD1 4.25Å; F15-F63 AromaticContact CE1-CD1 3.92Å; F15-F63 HydrophobicContact CE1-CD1 3.92Å; I16-F63 HydrophobicContact CB-CE1 4.42Å; I16-F63 HydrophobicContact CB-CZ 4.33Å; I16-F63 HydrophobicContact CD1-CD2 4.29Å; I16-F63 HydrophobicContact CD1-CE2 4.3Å; I16-F63 HydrophobicContact CG1-CD1 4.02Å; I16-F63 HydrophobicContact CG1-CD2 4.21Å; I16-F63 HydrophobicContact CG1-CE1 3.83Å; I16-F63 HydrophobicContact CG1-CE2 4.06Å; I16-F63 HydrophobicContact CG1-CG 4.2Å; I16-F63 HydrophobicContact CG1-CZ 3.87Å; I16-F63 HydrophobicContact CG2-CE2 4.4Å; I16-F63 HydrophobicContact CG2-CZ 3.97Å; I19-F63 HydrophobicContact CG2-CE1 4.4Å; C59-F63 WeakPolarHBondContact O-CB 3.21Å; C59-F63 PolarHBondContact O-N 3.14Å; K60-F63 PolarHBondContact O-N 3.16Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.22Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 PolarHBondContact O-N 3.1Å; F63-L66 PolarHBondContact O-N 3.12Å; F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CE1-CD1 3.72Å; F63-L67 HydrophobicContact CE1-CG 4.25Å; F63-L67 HydrophobicContact CZ-CD1 4.4Å; F63-L67 HydrophobicContact CZ-CD2 4.39Å; F63-L67 WeakPolarHBondContact O-CG 3.42Å; F63-L67 PolarHBondContact O-N 2.66Å
64I93.9Very high91.1Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-62.1-42175.7-69.6165.7000110.7F15 V32 L36 K60 L61 L67 H69 I71F15-I64 HydrophobicContact CE1-CD1 3.97Å; F15-I64 HydrophobicContact CE1-CG1 3.66Å; F15-I64 HydrophobicContact CZ-CD1 3.78Å; F15-I64 HydrophobicContact CZ-CG1 3.65Å; V32-I64 HydrophobicContact CG1-CD1 4.32Å; V32-I64 HydrophobicContact CG1-CG1 4.25Å; V32-I64 HydrophobicContact CG1-CG2 3.6Å; L36-I64 HydrophobicContact CD2-CD1 3.74Å; L36-I64 HydrophobicContact CD2-CG2 4.27Å; L36-I64 HydrophobicContact CG-CD1 4.12Å; K60-I64 VanDerWaalsContact O-CG1 3.23Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 2.94Å; L61-I64 PolarHBondContact O-N 2.99Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 3.16Å; I64-H69 HydrophobicContact CG2-CB 3.53Å; I64-H69 PolarHBondContact O-N 3.41Å; I64-I71 HydrophobicContact CB-CD1 4.1Å; I64-I71 HydrophobicContact CG2-CD1 3.65Å
65F92.5Very high91.1Very high69 Ų6939.5 Ų39.530%0.30322%0.215SC..Hα-helixtrans-60.7-45.2174.4179.7-100.5000112.4L61 L62 F63 L67 G68 H69 I71 V99 L100L61-F65 WeakPolarHBondContact O-CB 3.38Å; L61-F65 PolarHBondContact O-N 3.45Å; L62-F65 WeakPolarHBondContact O-CB 3.28Å; L62-F65 PolarHBondContact O-N 3.35Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 PolarHBondContact O-N 3.1Å; F65-L67 PolarHBondContact O-N 3.22Å; F65-G68 WeakPolarHBondContact O-CA 3.34Å; F65-G68 PolarHBondContact O-N 2.9Å; F65-H69 WeakPolarHBondContact CA-O 3.29Å; F65-I71 HydrophobicContact CB-CG1 3.88Å; F65-I71 HydrophobicContact CD2-CG1 4.44Å; F65-V99 HydrophobicContact CD1-CG1 3.91Å; F65-V99 HydrophobicContact CE1-CG1 3.64Å; F65-L100 HydrophobicContact CB-CD1 4.24Å; F65-L100 HydrophobicContact CB-CD2 3.94Å; F65-L100 HydrophobicContact CB-CG 4.3Å; F65-L100 HydrophobicContact CD1-CD1 3.69Å; F65-L100 HydrophobicContact CD1-CD2 4.36Å; F65-L100 HydrophobicContact CD1-CG 3.81Å; F65-L100 HydrophobicContact CD2-CD2 3.87Å; F65-L100 HydrophobicContact CD2-CG 3.95Å; F65-L100 HydrophobicContact CE1-CD1 4.2Å; F65-L100 HydrophobicContact CE1-CG 4.08Å; F65-L100 HydrophobicContact CE2-CD2 4.48Å; F65-L100 HydrophobicContact CE2-CG 4.2Å; F65-L100 HydrophobicContact CG-CD1 3.93Å; F65-L100 HydrophobicContact CG-CD2 3.78Å; F65-L100 HydrophobicContact CG-CG 3.74Å; F65-L100 HydrophobicContact CZ-CG 4.26Å
66L91.2Very high91.1Very high121 Ų12142.5 Ų42.563%0.63423%0.234SC*.Hα-helixtrans-64.4-19.5177.4-69.6172.7000113.8L62 F63 G68L62-L66 HydrophobicContact CG-CD1 4.35Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.1Å; F63-L66 PolarHBondContact O-N 3.12Å; L66-G68 VanDerWaalsContact C-N 3.26Å
67L89.9Confident91.1Very high67 Ų6742.6 Ų42.635%0.35124%0.235SC..THydrogen-bonded Turntrans-79.4-8170.7-66.7170.2000113I19 F63 I64 F65I19-L67 HydrophobicContact CG2-CD1 3.91Å; F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CE1-CD1 3.72Å; F63-L67 HydrophobicContact CE1-CG 4.25Å; F63-L67 HydrophobicContact CZ-CD1 4.4Å; F63-L67 HydrophobicContact CZ-CD2 4.39Å; F63-L67 WeakPolarHBondContact O-CG 3.42Å; F63-L67 PolarHBondContact O-N 2.66Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 3.16Å; F65-L67 PolarHBondContact O-N 3.22Å
68G89.5Confident91.1Very high67 Ų6742 Ų4269%0.69123%0.232SC*.THydrogen-bonded Turntrans95.418.9-179.700000114.6F65 L66F65-G68 WeakPolarHBondContact O-CA 3.34Å; F65-G68 PolarHBondContact O-N 2.9Å; L66-G68 VanDerWaalsContact C-N 3.26Å
69H89.7Confident91Very high42 Ų4242.2 Ų42.219%0.19423%0.234CC..  trans-95.6136173.2-66.4-77.2000111.4I64 F65I64-H69 HydrophobicContact CG2-CB 3.53Å; I64-H69 PolarHBondContact O-N 3.41Å; F65-H69 WeakPolarHBondContact CA-O 3.29Å
70D86.7Confident91Very high143 Ų14345.7 Ų45.777%0.76525%0.252SS*.  trans-68.2137.5177.5-61.9-41.1000111.9
71I89.7Confident91Very high19 Ų1945.2 Ų45.210%0.09725%0.25CC..  trans-117.5114.5177.7-60.9-57.7000108.5L36 L61 I64 F65 F73 H75 F96 L100L36-I71 HydrophobicContact CD2-CD1 3.74Å; L61-I71 HydrophobicContact CB-CG2 4.37Å; L61-I71 HydrophobicContact CD2-CD1 4.05Å; L61-I71 HydrophobicContact CD2-CG2 4.41Å; I64-I71 HydrophobicContact CB-CD1 4.1Å; I64-I71 HydrophobicContact CG2-CD1 3.65Å; F65-I71 HydrophobicContact CB-CG1 3.88Å; F65-I71 HydrophobicContact CD2-CG1 4.44Å; I71-F73 WeakPolarHBondContact CG2-O 3.33Å; I71-H75 PolarHBondContact O-NE2 3.4Å; I71-F96 HydrophobicContact CG2-CZ 4.41Å; I71-L100 HydrophobicContact CB-CD2 3.86Å; I71-L100 HydrophobicContact CG1-CD2 4.18Å; I71-L100 HydrophobicContact CG2-CD2 4.06Å
72D87.2Confident91Very high108 Ų10845.2 Ų45.258%0.57825%0.25SC*.  trans-102.8-2.9-177.359.1-37.8000113.6R40R40-D72 IonicContact CZ-OD1 3.22Å; R40-D72 IonicContact NH1-OD1 3.29Å; R40-D72 PolarHBondContact NH1-OD1 2.83Å; R40-D72 IonicContact NH1-OD2 3.91Å; R40-D72 PolarHBondContact NH1-OD2 3.32Å; R40-D72 IonicContact NH2-OD1 2.59Å
73F90.7Very high91Very high31 Ų3147.9 Ų47.914%0.13627%0.269CS..SBendtrans-146.4168-17772.4-79.8000112L36 I39 R40 F43 L61 I71L36-F73 HydrophobicContact CB-CZ 4.46Å; L36-F73 HydrophobicContact CD2-CE1 3.99Å; L36-F73 HydrophobicContact CD2-CZ 3.97Å; I39-F73 HydrophobicContact CB-CE2 4.11Å; I39-F73 HydrophobicContact CB-CZ 4.29Å; I39-F73 HydrophobicContact CG2-CE2 3.8Å; I39-F73 HydrophobicContact CG2-CZ 4.4Å; R40-F73 HydrophobicContact CB-CE2 4.27Å; R40-F73 HydrophobicContact CB-CZ 4.4Å; R40-F73 HydrophobicContact CG-CD1 3.84Å; R40-F73 HydrophobicContact CG-CD2 3.82Å; R40-F73 HydrophobicContact CG-CE1 3.49Å; R40-F73 VanDerWaalsContact CG-CE1 3.49Å; R40-F73 HydrophobicContact CG-CE2 3.45Å; R40-F73 VanDerWaalsContact CG-CE2 3.45Å; R40-F73 HydrophobicContact CG-CG 4.02Å; R40-F73 HydrophobicContact CG-CZ 3.3Å; F43-F73 AromaticContact CD2-CD2 3.96Å; F43-F73 HydrophobicContact CD2-CD2 3.96Å; F43-F73 HydrophobicContact CD2-CE2 4.16Å; F43-F73 HydrophobicContact CE2-CD2 4.36Å; F43-F73 HydrophobicContact CE2-CE2 4.39Å; L61-F73 HydrophobicContact CD1-CE2 4.2Å; L61-F73 HydrophobicContact CD2-CE1 4.31Å; L61-F73 HydrophobicContact CD2-CE2 4Å; L61-F73 HydrophobicContact CD2-CZ 3.66Å; I71-F73 WeakPolarHBondContact CG2-O 3.33Å
74G89Confident90.9Very high2 Ų246.5 Ų46.52%0.02127%0.265CS..  trans94.7-6.4-179.100000114.6T76 E77 A78G74-T76 VanDerWaalsContact C-N 3.34Å; G74-T76 PolarHBondContact O-N 3.37Å; G74-E77 VanDerWaalsContact CA-OE2 3.26Å; G74-E77 WeakPolarHBondContact CA-OE2 3.26Å; G74-E77 PolarHBondContact O-N 3.46Å; G74-A78 PolarHBondContact O-N 3.11Å
75H90.9Very high90.7Very high23 Ų2353.3 Ų53.311%0.10630%0.302CS..Hα-helixtrans-60.5-42.3175.9-53.9-78.6000111.7I71 E77 A78 V79 F96 I101 H105 L107I71-H75 PolarHBondContact O-NE2 3.4Å; H75-E77 VanDerWaalsContact C-N 3.35Å; H75-E77 PolarHBondContact O-N 2.8Å; H75-A78 PolarHBondContact O-N 3.31Å; H75-V79 VanDerWaalsContact O-CG2 3.32Å; H75-V79 WeakPolarHBondContact O-CG2 3.3Å; H75-V79 PolarHBondContact O-N 3.3Å; H75-F96 AromaticContact ND1-CE1 3.68Å; H75-I101 HydrophobicContact CB-CD1 4.48Å; H75-H105 AromaticContact CD2-NE2 3.85Å; H75-H105 AromaticContact CG-NE2 3.72Å; H75-L107 HydrophobicContact CB-CD1 3.92Å
76T90.3Very high90.7Very high71 Ų7157.7 Ų57.744%0.43632%0.316SS..Hα-helixtrans-59.8-42.6176.131.80000112.7G74 V79 N80 L107G74-T76 VanDerWaalsContact C-N 3.34Å; G74-T76 PolarHBondContact O-N 3.37Å; T76-V79 PolarHBondContact O-N 3.38Å; T76-N80 WeakPolarHBondContact O-CB 3.11Å; T76-N80 VanDerWaalsContact O-CG 3.24Å; T76-N80 PolarHBondContact O-N 2.91Å; T76-N80 PolarHBondContact O-ND2 3.39Å; T76-L107 HydrophobicContact CG2-CD1 3.82Å; T76-L107 HydrophobicContact CG2-CD2 4.32Å
77E91.3Very high90.8Very high29 Ų2956.6 Ų56.614%0.13630%0.304CS..Hα-helixtrans-70.2-38.4179.6-69.577.4-179.800110.9F43 V58 G74 H75 N80 L81F43-E77 WeakPolarHBondContact CB-OE1 3.31Å; F43-E77 HydrophobicContact CD1-CG 4.05Å; F43-E77 VanDerWaalsContact CD2-CD 3.44Å; F43-E77 HydrophobicContact CD2-CG 3.82Å; F43-E77 WeakPolarHBondContact CD2-OE1 3.34Å; F43-E77 HydrophobicContact CE1-CB 4.47Å; F43-E77 HydrophobicContact CE1-CG 4.05Å; F43-E77 HydrophobicContact CE2-CB 4.07Å; F43-E77 HydrophobicContact CE2-CG 3.85Å; F43-E77 HydrophobicContact CG-CG 3.94Å; F43-E77 WeakPolarHBondContact CG-OE1 3.4Å; F43-E77 HydrophobicContact CZ-CB 4.03Å; F43-E77 HydrophobicContact CZ-CG 3.95Å; V58-E77 HydrophobicContact CG2-CB 4.32Å; G74-E77 VanDerWaalsContact CA-OE2 3.26Å; G74-E77 WeakPolarHBondContact CA-OE2 3.26Å; G74-E77 PolarHBondContact O-N 3.46Å; H75-E77 VanDerWaalsContact C-N 3.35Å; H75-E77 PolarHBondContact O-N 2.8Å; E77-N80 WeakPolarHBondContact O-CB 3.3Å; E77-N80 PolarHBondContact O-N 3.21Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 2.9Å; E77-L81 VanDerWaalsContact O-N 3.09Å
78A92.1Very high90.9Very high0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-63.5-43.4172.500000111.9V58 G74 H75 N80 L81 F96V58-A78 HydrophobicContact CG1-CB 4.09Å; V58-A78 HydrophobicContact CG2-CB 4.39Å; G74-A78 PolarHBondContact O-N 3.11Å; H75-A78 PolarHBondContact O-N 3.31Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.22Å; A78-L81 WeakPolarHBondContact O-CB 3.47Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-F96 HydrophobicContact CB-CB 4.11Å; A78-F96 HydrophobicContact CB-CD1 3.32Å; A78-F96 HydrophobicContact CB-CE1 3.84Å; A78-F96 HydrophobicContact CB-CG 3.81Å
79V92.2Very high91.1Very high6 Ų652.9 Ų52.94%0.03627%0.27CS..Hα-helixtrans-63.1-40.3173.9174.10000111H75 T76 L81 L82 I97 I101 L107 L110 V111H75-V79 VanDerWaalsContact O-CG2 3.32Å; H75-V79 WeakPolarHBondContact O-CG2 3.3Å; H75-V79 PolarHBondContact O-N 3.3Å; T76-V79 PolarHBondContact O-N 3.38Å; V79-L81 PolarHBondContact O-N 3.25Å; V79-L82 WeakPolarHBondContact O-CB 3.5Å; V79-L82 WeakPolarHBondContact O-CG 3.3Å; V79-L82 PolarHBondContact O-N 3.24Å; V79-I97 HydrophobicContact CG2-CD1 4.06Å; V79-I101 HydrophobicContact CG2-CD1 4.3Å; V79-L107 HydrophobicContact CG2-CB 4.21Å; V79-L107 HydrophobicContact CG2-CD1 3.99Å; V79-L110 HydrophobicContact CG1-CB 4.1Å; V79-L110 HydrophobicContact CG1-CD2 4.37Å; V79-V111 HydrophobicContact CG2-CG2 3.79Å
80N91.4Very high91.3Very high85 Ų8551.3 Ų51.346%0.45526%0.263SS..Hα-helixtrans-62.5-29.4175.5-77.2-33.3000113.2T76 E77 A78 L82 C83T76-N80 WeakPolarHBondContact O-CB 3.11Å; T76-N80 VanDerWaalsContact O-CG 3.24Å; T76-N80 PolarHBondContact O-N 2.91Å; T76-N80 PolarHBondContact O-ND2 3.39Å; E77-N80 WeakPolarHBondContact O-CB 3.3Å; E77-N80 PolarHBondContact O-N 3.21Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.22Å; N80-L82 PolarHBondContact O-N 2.84Å; N80-C83 WeakPolarHBondContact O-CB 3.22Å; N80-C83 PolarHBondContact O-N 2.65Å
81L94.1Very high91.8Very high3 Ų348 Ų482%0.01624%0.242CC..Hα-helixtrans-66-24.5173.6-69.3175.2000112.3K54 V58 E77 A78 V79 C83 S84 E89 K90 I92K54-L81 HydrophobicContact CB-CD2 3.74Å; K54-L81 HydrophobicContact CB-CG 4.34Å; V58-L81 HydrophobicContact CB-CD1 4.11Å; V58-L81 HydrophobicContact CG1-CD1 4.3Å; V58-L81 HydrophobicContact CG2-CD1 3.91Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 2.9Å; E77-L81 VanDerWaalsContact O-N 3.09Å; A78-L81 WeakPolarHBondContact O-CB 3.47Å; A78-L81 PolarHBondContact O-N 3.14Å; V79-L81 PolarHBondContact O-N 3.25Å; L81-C83 PolarHBondContact O-N 3.16Å; L81-S84 WeakPolarHBondContact O-CB 3.29Å; L81-S84 PolarHBondContact O-N 2.71Å; L81-S84 VanDerWaalsContact O-N 3.12Å; L81-E89 HydrophobicContact CD2-CB 4.08Å; L81-E89 HydrophobicContact CD2-CG 4.47Å; L81-K90 WeakPolarHBondContact O-CG 3.34Å; L81-I92 HydrophobicContact CD1-CG2 4.29Å
82L94.3Very high92Very high0 Ų048.1 Ų48.10%024%0.243CC..THydrogen-bonded Turntrans-64.6-21.9174.1-57.1-168000112.6V79 N80 S84 K90 Y94 I97 R114V79-L82 WeakPolarHBondContact O-CB 3.5Å; V79-L82 WeakPolarHBondContact O-CG 3.3Å; V79-L82 PolarHBondContact O-N 3.24Å; N80-L82 PolarHBondContact O-N 2.84Å; L82-S84 VanDerWaalsContact C-N 3.29Å; L82-K90 VanDerWaalsContact O-CE 3.26Å; L82-K90 WeakPolarHBondContact O-CE 3.44Å; L82-K90 PolarHBondContact O-NZ 3.34Å; L82-Y94 HydrophobicContact CD1-CD1 4.21Å; L82-Y94 HydrophobicContact CD1-CE1 3.71Å; L82-Y94 HydrophobicContact CD2-CD1 3.54Å; L82-Y94 HydrophobicContact CD2-CD2 3.67Å; L82-Y94 HydrophobicContact CD2-CE1 3.6Å; L82-Y94 HydrophobicContact CD2-CE2 3.79Å; L82-Y94 HydrophobicContact CD2-CG 3.56Å; L82-Y94 HydrophobicContact CG-CE1 4.25Å; L82-I97 HydrophobicContact CD1-CD1 3.43Å; L82-I97 VanDerWaalsContact CD1-CD1 3.43Å; L82-I97 HydrophobicContact CD2-CD1 3.89Å; L82-I97 HydrophobicContact CG-CD1 3.7Å; L82-R114 HydrophobicContact CB-CB 4.09Å; L82-R114 HydrophobicContact CB-CG 4.09Å; L82-R114 HydrophobicContact CD1-CB 3.93Å; L82-R114 HydrophobicContact CD1-CG 4.36Å
83C91.6Very high92.4Very high71 Ų7143 Ų4348%0.4822%0.216SC..THydrogen-bonded Turntrans-81.6-6.5176.9-58.80000113.2N80 L81N80-C83 WeakPolarHBondContact O-CB 3.22Å; N80-C83 PolarHBondContact O-N 2.65Å; L81-C83 PolarHBondContact O-N 3.16Å
84S91.1Very high92.6Very high20 Ų2041.7 Ų41.714%0.1421%0.21CC..  trans-78.8134.7-174.9-179.80000112.9L81 L82 R86 E89 K90L81-S84 WeakPolarHBondContact O-CB 3.29Å; L81-S84 PolarHBondContact O-N 2.71Å; L81-S84 VanDerWaalsContact O-N 3.12Å; L82-S84 VanDerWaalsContact C-N 3.29Å; S84-R86 PolarHBondContact O-N 3.37Å; S84-R86 VanDerWaalsContact O-N 3.14Å; S84-R86 PolarHBondContact OG-N 3.47Å; S84-R86 VanDerWaalsContact OG-N 3.12Å; S84-E89 VanDerWaalsContact CB-OE2 3.25Å; S84-E89 WeakPolarHBondContact CB-OE2 3.11Å; S84-E89 PolarHBondContact OG-OE2 2.91Å; S84-K90 WeakPolarHBondContact O-CD 3.38Å; S84-K90 WeakPolarHBondContact O-CE 3.45Å; S84-K90 VanDerWaalsContact O-CG 3.23Å; S84-K90 WeakPolarHBondContact O-CG 3.41Å
85N89.8Confident92.9Very high143 Ų14345.3 Ų45.377%0.76523%0.229SC*.SBendtrans-73.51.3172.2-68.5-39000113.9
86R91.9Very high93.1Very high160 Ų16044.2 Ų44.260%0.60422%0.224SC*.  trans-96.5124.2178-67.6175.7175.8-172.80.3110.7S84 T88 E89 K90S84-R86 PolarHBondContact O-N 3.37Å; S84-R86 VanDerWaalsContact O-N 3.14Å; S84-R86 PolarHBondContact OG-N 3.47Å; S84-R86 VanDerWaalsContact OG-N 3.12Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.24Å; R86-E89 HydrophobicContact CB-CB 4.27Å; R86-E89 HydrophobicContact CB-CG 4.18Å; R86-E89 WeakPolarHBondContact CD-OE1 3.49Å; R86-E89 IonicContact NH1-OE1 3.68Å; R86-E89 PolarHBondContact NH1-OE1 3.13Å; R86-E89 PolarHBondContact O-N 3.19Å; R86-E89 VanDerWaalsContact O-N 3.12Å; R86-K90 PolarHBondContact O-N 3.37Å; R86-K90 VanDerWaalsContact O-N 3.11Å
87Y92.6Very high93.2Very high99 Ų9940.9 Ų40.939%0.38820%0.203SC..Hα-helixtrans-49.7-50.3177.7166.7-110.3000113.3E89 K90 Q91 V125 L129Y87-E89 PolarHBondContact O-N 3.12Å; Y87-K90 PolarHBondContact O-N 3.27Å; Y87-Q91 HydrophobicContact CD2-CB 4.44Å; Y87-Q91 HydrophobicContact CE2-CB 4.1Å; Y87-Q91 HydrophobicContact CE2-CG 4.37Å; Y87-Q91 VanDerWaalsContact O-CB 3.22Å; Y87-Q91 WeakPolarHBondContact O-CB 3.46Å; Y87-Q91 PolarHBondContact O-N 3.38Å; Y87-Q91 VanDerWaalsContact OH-CD 3.28Å; Y87-Q91 PolarHBondContact OH-NE2 2.81Å; Y87-Q91 VanDerWaalsContact OH-NE2 3.11Å; Y87-V125 HydrophobicContact CD2-CG1 3.15Å; Y87-V125 HydrophobicContact CE2-CG1 3.39Å; Y87-V125 HydrophobicContact CG-CG1 4.02Å; Y87-L129 HydrophobicContact CD2-CD1 3.85Å; Y87-L129 HydrophobicContact CE2-CD1 3.87Å; Y87-L129 HydrophobicContact CE2-CD2 4.17Å; Y87-L129 HydrophobicContact CE2-CG 4.23Å
88T92.3Very high93.3Very high43 Ų4340.5 Ų40.526%0.26420%0.204SC..Hα-helixtrans-65.9-24.4-174.661.20000113.2K55 R86 I92K55-T88 VanDerWaalsContact CD-O 3.26Å; K55-T88 WeakPolarHBondContact CD-O 3.28Å; K55-T88 PolarHBondContact NZ-OG1 3Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.24Å; T88-I92 WeakPolarHBondContact O-CG1 3.46Å
89E93.7Very high93.1Very high12 Ų1243.6 Ų43.66%0.05622%0.223CC..Hα-helixtrans-79.5-51.9176.1-69.6174.7-163.300110.2K55 L81 S84 R86 Y87 Q91 I92 G93K55-E89 HydrophobicContact CB-CG 4.38Å; K55-E89 HydrophobicContact CD-CG 4.27Å; L81-E89 HydrophobicContact CD2-CB 4.08Å; L81-E89 HydrophobicContact CD2-CG 4.47Å; S84-E89 VanDerWaalsContact CB-OE2 3.25Å; S84-E89 WeakPolarHBondContact CB-OE2 3.11Å; S84-E89 PolarHBondContact OG-OE2 2.91Å; R86-E89 HydrophobicContact CB-CB 4.27Å; R86-E89 HydrophobicContact CB-CG 4.18Å; R86-E89 WeakPolarHBondContact CD-OE1 3.49Å; R86-E89 IonicContact NH1-OE1 3.68Å; R86-E89 PolarHBondContact NH1-OE1 3.13Å; R86-E89 PolarHBondContact O-N 3.19Å; R86-E89 VanDerWaalsContact O-N 3.12Å; Y87-E89 PolarHBondContact O-N 3.12Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 3.18Å; E89-I92 PolarHBondContact O-N 2.89Å; E89-G93 PolarHBondContact O-N 2.89Å
90K95Very high92.8Very high9 Ų944.5 Ų44.54%0.03923%0.227CC..Hα-helixtrans-57.2-43174.4-90.9175.7-179.6-83.20112.7L81 L82 S84 R86 Y87 I92 G93 Y94 D118 F126 L129L81-K90 WeakPolarHBondContact O-CG 3.34Å; L82-K90 VanDerWaalsContact O-CE 3.26Å; L82-K90 WeakPolarHBondContact O-CE 3.44Å; L82-K90 PolarHBondContact O-NZ 3.34Å; S84-K90 WeakPolarHBondContact O-CD 3.38Å; S84-K90 WeakPolarHBondContact O-CE 3.45Å; S84-K90 VanDerWaalsContact O-CG 3.23Å; S84-K90 WeakPolarHBondContact O-CG 3.41Å; R86-K90 PolarHBondContact O-N 3.37Å; R86-K90 VanDerWaalsContact O-N 3.11Å; Y87-K90 PolarHBondContact O-N 3.27Å; K90-I92 VanDerWaalsContact C-N 3.32Å; K90-I92 PolarHBondContact O-N 2.88Å; K90-G93 PolarHBondContact O-N 3.05Å; K90-G93 VanDerWaalsContact O-N 3.16Å; K90-Y94 HydrophobicContact CB-CD2 4.45Å; K90-Y94 WeakPolarHBondContact O-CD2 3.47Å; K90-Y94 PolarHBondContact O-N 3.26Å; K90-D118 IonicContact NZ-OD1 3.4Å; K90-D118 PolarHBondContact NZ-OD1 2.57Å; K90-D118 IonicContact NZ-OD2 3.47Å; K90-D118 PolarHBondContact NZ-OD2 2.89Å; K90-F126 HydrophobicContact CD-CD1 3.71Å; K90-F126 HydrophobicContact CD-CD2 4.14Å; K90-F126 HydrophobicContact CD-CE1 3.64Å; K90-F126 HydrophobicContact CD-CE2 4.06Å; K90-F126 HydrophobicContact CD-CG 3.99Å; K90-F126 HydrophobicContact CD-CZ 3.82Å; K90-L129 HydrophobicContact CB-CD1 4.13Å
91Q95.9Very high92.4Very high73 Ų7341.1 Ų41.134%0.34121%0.209SC..Hα-helixtrans-56.2-46.4179.7-177.1-170.922.500111.3Y87 E89 L95 L129Y87-Q91 HydrophobicContact CD2-CB 4.44Å; Y87-Q91 HydrophobicContact CE2-CB 4.1Å; Y87-Q91 HydrophobicContact CE2-CG 4.37Å; Y87-Q91 VanDerWaalsContact O-CB 3.22Å; Y87-Q91 WeakPolarHBondContact O-CB 3.46Å; Y87-Q91 PolarHBondContact O-N 3.38Å; Y87-Q91 VanDerWaalsContact OH-CD 3.28Å; Y87-Q91 PolarHBondContact OH-NE2 2.81Å; Y87-Q91 VanDerWaalsContact OH-NE2 3.11Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 3.18Å; Q91-L95 VanDerWaalsContact O-CB 3.23Å; Q91-L95 WeakPolarHBondContact O-CB 3.36Å; Q91-L95 PolarHBondContact O-N 2.99Å; Q91-L129 HydrophobicContact CB-CD1 4.3Å; Q91-L129 HydrophobicContact CB-CD2 4.23Å; Q91-L129 HydrophobicContact CG-CD2 4.11Å
92I94.1Very high91.7Very high22 Ų2245.1 Ų45.111%0.11323%0.23CC..Hα-helixtrans-69.6-38.7178.2-66.5-54.3000111.2K55 V58 C59 L81 T88 E89 K90 L95 F96K55-I92 HydrophobicContact CD-CG1 4.23Å; K55-I92 HydrophobicContact CG-CB 4.11Å; K55-I92 HydrophobicContact CG-CG1 3.82Å; K55-I92 HydrophobicContact CG-CG2 4.3Å; V58-I92 HydrophobicContact CB-CG2 4.13Å; V58-I92 HydrophobicContact CG1-CG2 3.75Å; C59-I92 WeakPolarHBondContact SG-CD1 3.24Å; C59-I92 VanDerWaalsContact SG-CG2 3.51Å; L81-I92 HydrophobicContact CD1-CG2 4.29Å; T88-I92 WeakPolarHBondContact O-CG1 3.46Å; E89-I92 PolarHBondContact O-N 2.89Å; K90-I92 VanDerWaalsContact C-N 3.32Å; K90-I92 PolarHBondContact O-N 2.88Å; I92-L95 PolarHBondContact O-N 2.67Å; I92-F96 VanDerWaalsContact O-CB 3.31Å; I92-F96 WeakPolarHBondContact O-CB 3.46Å; I92-F96 PolarHBondContact O-N 3.35Å
93G95.2Very high90.5Very high0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-56.8-54.5172.700000111.8E89 K90 L95 F96 I97E89-G93 PolarHBondContact O-N 2.89Å; K90-G93 PolarHBondContact O-N 3.05Å; K90-G93 VanDerWaalsContact O-N 3.16Å; G93-L95 PolarHBondContact O-N 2.9Å; G93-F96 PolarHBondContact O-N 3.28Å; G93-I97 WeakPolarHBondContact O-CB 3.34Å; G93-I97 WeakPolarHBondContact O-CD1 3Å; G93-I97 WeakPolarHBondContact O-CG1 3.2Å; G93-I97 PolarHBondContact O-N 2.89Å
94Y96.3Very high89.7Confident4 Ų452.3 Ų52.32%0.01627%0.267CS..Hα-helixtrans-63.7-39.3179.2-81.4-56000113.2L82 K90 I97 S98 L115 D118 L129 C133L82-Y94 HydrophobicContact CD1-CD1 4.21Å; L82-Y94 HydrophobicContact CD1-CE1 3.71Å; L82-Y94 HydrophobicContact CD2-CD1 3.54Å; L82-Y94 HydrophobicContact CD2-CD2 3.67Å; L82-Y94 HydrophobicContact CD2-CE1 3.6Å; L82-Y94 HydrophobicContact CD2-CE2 3.79Å; L82-Y94 HydrophobicContact CD2-CG 3.56Å; L82-Y94 HydrophobicContact CG-CE1 4.25Å; K90-Y94 HydrophobicContact CB-CD2 4.45Å; K90-Y94 WeakPolarHBondContact O-CD2 3.47Å; K90-Y94 PolarHBondContact O-N 3.26Å; Y94-I97 PolarHBondContact O-N 3.48Å; Y94-S98 VanDerWaalsContact O-CB 3.31Å; Y94-S98 WeakPolarHBondContact O-CB 3.18Å; Y94-S98 PolarHBondContact O-N 3.16Å; Y94-S98 PolarHBondContact O-OG 3.19Å; Y94-L115 HydrophobicContact CD1-CD2 4.1Å; Y94-L115 HydrophobicContact CE1-CD2 3.24Å; Y94-L115 HydrophobicContact CE1-CG 3.9Å; Y94-D118 VanDerWaalsContact CE2-OD2 3.28Å; Y94-D118 WeakPolarHBondContact CE2-OD2 3.44Å; Y94-D118 PolarHBondContact OH-OD2 3.21Å; Y94-L129 HydrophobicContact CD2-CB 3.59Å; Y94-L129 HydrophobicContact CD2-CD1 4.14Å; Y94-L129 HydrophobicContact CD2-CG 4.42Å; Y94-L129 HydrophobicContact CE2-CB 3.99Å; Y94-L129 HydrophobicContact CG-CB 4.3Å; Y94-C133 HydrophobicContact CD1-CB 3.61Å; Y94-C133 HydrophobicContact CE1-CB 4.21Å; Y94-C133 HydrophobicContact CG-CB 4.31Å
95L94.6Very high89.5Confident79 Ų7953.2 Ų53.241%0.41427%0.269SS..Hα-helixtrans-62.7-46.9175.9178.462.5000111.4L62 Q91 I92 G93 I97 S98 V99L62-L95 HydrophobicContact CD2-CD2 3.64Å; L62-L95 HydrophobicContact CD2-CG 3.79Å; Q91-L95 VanDerWaalsContact O-CB 3.23Å; Q91-L95 WeakPolarHBondContact O-CB 3.36Å; Q91-L95 PolarHBondContact O-N 2.99Å; I92-L95 PolarHBondContact O-N 2.67Å; G93-L95 PolarHBondContact O-N 2.9Å; L95-I97 VanDerWaalsContact C-N 3.32Å; L95-I97 PolarHBondContact O-N 2.92Å; L95-S98 PolarHBondContact O-N 3.46Å; L95-V99 HydrophobicContact CD1-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.18Å; L95-V99 PolarHBondContact O-N 3.31Å
96F94.3Very high89.3Confident0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-60-45.2177.4-175.3-83.6000111.1V58 L61 L62 I71 H75 A78 I92 G93 V99 L100V58-F96 HydrophobicContact CG1-CB 3.74Å; V58-F96 HydrophobicContact CG1-CD2 3.47Å; V58-F96 VanDerWaalsContact CG1-CD2 3.47Å; V58-F96 HydrophobicContact CG1-CE2 4.18Å; V58-F96 HydrophobicContact CG1-CG 3.69Å; L61-F96 HydrophobicContact CB-CE2 3.81Å; L62-F96 HydrophobicContact CB-CD2 4.09Å; I71-F96 HydrophobicContact CG2-CZ 4.41Å; H75-F96 AromaticContact ND1-CE1 3.68Å; A78-F96 HydrophobicContact CB-CB 4.11Å; A78-F96 HydrophobicContact CB-CD1 3.32Å; A78-F96 HydrophobicContact CB-CE1 3.84Å; A78-F96 HydrophobicContact CB-CG 3.81Å; I92-F96 VanDerWaalsContact O-CB 3.31Å; I92-F96 WeakPolarHBondContact O-CB 3.46Å; I92-F96 PolarHBondContact O-N 3.35Å; G93-F96 PolarHBondContact O-N 3.28Å; F96-V99 PolarHBondContact O-N 3.28Å; F96-L100 HydrophobicContact CD1-CB 4.38Å; F96-L100 HydrophobicContact CD2-CD1 4.07Å; F96-L100 HydrophobicContact CD2-CD2 4.48Å; F96-L100 HydrophobicContact CE1-CB 4.12Å; F96-L100 HydrophobicContact CE1-CD2 4.17Å; F96-L100 HydrophobicContact CE2-CD1 4.13Å; F96-L100 HydrophobicContact CE2-CD2 3.74Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CG-CD1 4.36Å; F96-L100 HydrophobicContact CZ-CB 4.39Å; F96-L100 HydrophobicContact CZ-CD1 4.48Å; F96-L100 HydrophobicContact CZ-CD2 3.58Å; F96-L100 HydrophobicContact CZ-CG 4.39Å; F96-L100 WeakPolarHBondContact O-CB 3.2Å; F96-L100 PolarHBondContact O-N 2.75Å
97I93.8Very high89.1Confident0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-63.9-45.2179.6-68.6167.7000111.2V79 L82 G93 Y94 L95 V99 I101 V111 I137V79-I97 HydrophobicContact CG2-CD1 4.06Å; L82-I97 HydrophobicContact CD1-CD1 3.43Å; L82-I97 VanDerWaalsContact CD1-CD1 3.43Å; L82-I97 HydrophobicContact CD2-CD1 3.89Å; L82-I97 HydrophobicContact CG-CD1 3.7Å; G93-I97 WeakPolarHBondContact O-CB 3.34Å; G93-I97 WeakPolarHBondContact O-CD1 3Å; G93-I97 WeakPolarHBondContact O-CG1 3.2Å; G93-I97 PolarHBondContact O-N 2.89Å; Y94-I97 PolarHBondContact O-N 3.48Å; L95-I97 VanDerWaalsContact C-N 3.32Å; L95-I97 PolarHBondContact O-N 2.92Å; I97-V99 PolarHBondContact O-N 3.23Å; I97-V99 VanDerWaalsContact O-N 3.14Å; I97-I101 HydrophobicContact CB-CD1 4.26Å; I97-I101 HydrophobicContact CB-CG1 4.49Å; I97-I101 HydrophobicContact CG1-CD1 3.73Å; I97-I101 HydrophobicContact CG1-CG1 4.37Å; I97-I101 HydrophobicContact CG2-CB 4.24Å; I97-I101 HydrophobicContact CG2-CD1 4.12Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 WeakPolarHBondContact O-CB 3.4Å; I97-I101 PolarHBondContact O-N 2.93Å; I97-I101 VanDerWaalsContact O-N 3.15Å; I97-V111 HydrophobicContact CD1-CG2 4.04Å; I97-V111 HydrophobicContact CG2-CG1 3.81Å; I97-V111 HydrophobicContact CG2-CG2 4.15Å; I97-I137 HydrophobicContact CG2-CD1 4.1Å
98S92.2Very high89Confident22 Ų2240.9 Ų40.915%0.15423%0.227CC..Hα-helixtrans-60.9-22.9179.2-60.70000113.6Y94 L95 C133Y94-S98 VanDerWaalsContact O-CB 3.31Å; Y94-S98 WeakPolarHBondContact O-CB 3.18Å; Y94-S98 PolarHBondContact O-N 3.16Å; Y94-S98 PolarHBondContact O-OG 3.19Å; L95-S98 PolarHBondContact O-N 3.46Å; S98-C133 WeakPolarHBondContact OG-CA 3.42Å
99V89.6Confident88.9Confident65 Ų6544.1 Ų44.139%0.39424%0.243SC..Hα-helixtrans-105-39.5-174.9176.50000112.4L62 F65 L95 F96 I97L62-V99 HydrophobicContact CD1-CB 4.15Å; L62-V99 HydrophobicContact CD1-CG1 4.03Å; F65-V99 HydrophobicContact CD1-CG1 3.91Å; F65-V99 HydrophobicContact CE1-CG1 3.64Å; L95-V99 HydrophobicContact CD1-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.18Å; L95-V99 PolarHBondContact O-N 3.31Å; F96-V99 PolarHBondContact O-N 3.28Å; I97-V99 PolarHBondContact O-N 3.23Å; I97-V99 VanDerWaalsContact O-N 3.14Å
100L85.8Confident88.8Confident25 Ų2548.1 Ų48.113%0.13126%0.264CS..Hα-helixtrans-106.7-22.9-170.4-79.688.2000115L62 F65 I71 F96L62-L100 HydrophobicContact CD1-CD1 3.42Å; L62-L100 VanDerWaalsContact CD1-CD1 3.42Å; F65-L100 HydrophobicContact CB-CD1 4.24Å; F65-L100 HydrophobicContact CB-CD2 3.94Å; F65-L100 HydrophobicContact CB-CG 4.3Å; F65-L100 HydrophobicContact CD1-CD1 3.69Å; F65-L100 HydrophobicContact CD1-CD2 4.36Å; F65-L100 HydrophobicContact CD1-CG 3.81Å; F65-L100 HydrophobicContact CD2-CD2 3.87Å; F65-L100 HydrophobicContact CD2-CG 3.95Å; F65-L100 HydrophobicContact CE1-CD1 4.2Å; F65-L100 HydrophobicContact CE1-CG 4.08Å; F65-L100 HydrophobicContact CE2-CD2 4.48Å; F65-L100 HydrophobicContact CE2-CG 4.2Å; F65-L100 HydrophobicContact CG-CD1 3.93Å; F65-L100 HydrophobicContact CG-CD2 3.78Å; F65-L100 HydrophobicContact CG-CG 3.74Å; F65-L100 HydrophobicContact CZ-CG 4.26Å; I71-L100 HydrophobicContact CB-CD2 3.86Å; I71-L100 HydrophobicContact CG1-CD2 4.18Å; I71-L100 HydrophobicContact CG2-CD2 4.06Å; F96-L100 HydrophobicContact CD1-CB 4.38Å; F96-L100 HydrophobicContact CD2-CD1 4.07Å; F96-L100 HydrophobicContact CD2-CD2 4.48Å; F96-L100 HydrophobicContact CE1-CB 4.12Å; F96-L100 HydrophobicContact CE1-CD2 4.17Å; F96-L100 HydrophobicContact CE2-CD1 4.13Å; F96-L100 HydrophobicContact CE2-CD2 3.74Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CG-CD1 4.36Å; F96-L100 HydrophobicContact CZ-CB 4.39Å; F96-L100 HydrophobicContact CZ-CD1 4.48Å; F96-L100 HydrophobicContact CZ-CD2 3.58Å; F96-L100 HydrophobicContact CZ-CG 4.39Å; F96-L100 WeakPolarHBondContact O-CB 3.2Å; F96-L100 PolarHBondContact O-N 2.75Å
101I82.9Confident88.8Confident14 Ų1447.7 Ų47.77%0.07226%0.263CS..  trans-89121.9-175.3-65.1-165.5000109.7H75 V79 I97 H105 M108 V111H75-I101 HydrophobicContact CB-CD1 4.48Å; V79-I101 HydrophobicContact CG2-CD1 4.3Å; I97-I101 HydrophobicContact CB-CD1 4.26Å; I97-I101 HydrophobicContact CB-CG1 4.49Å; I97-I101 HydrophobicContact CG1-CD1 3.73Å; I97-I101 HydrophobicContact CG1-CG1 4.37Å; I97-I101 HydrophobicContact CG2-CB 4.24Å; I97-I101 HydrophobicContact CG2-CD1 4.12Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 WeakPolarHBondContact O-CB 3.4Å; I97-I101 PolarHBondContact O-N 2.93Å; I97-I101 VanDerWaalsContact O-N 3.15Å; I101-H105 HydrophobicContact CG2-CB 3.58Å; I101-M108 HydrophobicContact CG2-CE 3.71Å; I101-V111 HydrophobicContact CD1-CG2 4.47Å
102N78Confident88.8Confident86 Ų8644.4 Ų44.446%0.4625%0.248SC..  trans-83.1163.2171.563.46.4000111.6S104 H105 M108N102-S104 VanDerWaalsContact C-N 3.25Å; N102-S104 PolarHBondContact ND2-OG 3.44Å; N102-S104 PolarHBondContact O-N 3.05Å; N102-H105 VanDerWaalsContact O-CB 3.3Å; N102-H105 WeakPolarHBondContact O-CB 3.29Å; N102-H105 PolarHBondContact O-N 3.4Å; N102-H105 VanDerWaalsContact O-N 3.16Å; N102-H105 WeakPolarHBondContact OD1-CA 3.43Å; N102-H105 VanDerWaalsContact OD1-CB 3.29Å; N102-H105 WeakPolarHBondContact OD1-CB 3.25Å; N102-H105 PolarHBondContact OD1-N 3.06Å; N102-H105 VanDerWaalsContact OD1-N 3.07Å; N102-M108 VanDerWaalsContact O-CE 3.28Å; N102-M108 WeakPolarHBondContact O-CE 3.48Å
103E70.5Confident88.8Confident127 Ų12745.7 Ų45.759%0.59326%0.259SS*.THydrogen-bonded Turntrans-61.1-31.2179.661.3-172173.600113.6H105 S139E103-H105 VanDerWaalsContact C-N 3.25Å; E103-H105 PolarHBondContact O-N 2.81Å; E103-S139 WeakPolarHBondContact OE2-CB 3.43Å
104S75.2Confident88.8Confident96 Ų9650 Ų5067%0.67128%0.275SS*.THydrogen-bonded Turntrans-82.33.417954.60000114.2N102N102-S104 VanDerWaalsContact C-N 3.25Å; N102-S104 PolarHBondContact ND2-OG 3.44Å; N102-S104 PolarHBondContact O-N 3.05Å
105H85.2Confident88.8Confident39 Ų3949.8 Ų49.818%0.18127%0.274CS..  trans-69.3133.9-177-161.5-89.7000111H75 I101 N102 E103 L107 M108H75-H105 AromaticContact CD2-NE2 3.85Å; H75-H105 AromaticContact CG-NE2 3.72Å; I101-H105 HydrophobicContact CG2-CB 3.58Å; N102-H105 VanDerWaalsContact O-CB 3.3Å; N102-H105 WeakPolarHBondContact O-CB 3.29Å; N102-H105 PolarHBondContact O-N 3.4Å; N102-H105 VanDerWaalsContact O-N 3.16Å; N102-H105 WeakPolarHBondContact OD1-CA 3.43Å; N102-H105 VanDerWaalsContact OD1-CB 3.29Å; N102-H105 WeakPolarHBondContact OD1-CB 3.25Å; N102-H105 PolarHBondContact OD1-N 3.06Å; N102-H105 VanDerWaalsContact OD1-N 3.07Å; E103-H105 VanDerWaalsContact C-N 3.25Å; E103-H105 PolarHBondContact O-N 2.81Å; H105-L107 WeakPolarHBondContact ND1-CB 3.49Å; H105-L107 PolarHBondContact ND1-N 3.07Å; H105-L107 PolarHBondContact O-N 3.28Å; H105-M108 VanDerWaalsContact O-CB 3.27Å; H105-M108 WeakPolarHBondContact O-CB 3.47Å; H105-M108 PolarHBondContact O-N 3.45Å
106P85.7Confident88.9Confident109 Ų10949.1 Ų49.171%0.70827%0.268SS*.THydrogen-bonded Turntrans-61.1-20.8-177.523-35000114.2M108P106-M108 VanDerWaalsContact C-N 3.34Å
107L89.1Confident88.9Confident29 Ų2952.7 Ų52.715%0.15229%0.287CS..THydrogen-bonded Turntrans-83.8-2.7176.7-57178.3000114.1H75 T76 V79 H105 N109 L110 V111H75-L107 HydrophobicContact CB-CD1 3.92Å; T76-L107 HydrophobicContact CG2-CD1 3.82Å; T76-L107 HydrophobicContact CG2-CD2 4.32Å; V79-L107 HydrophobicContact CG2-CB 4.21Å; V79-L107 HydrophobicContact CG2-CD1 3.99Å; H105-L107 WeakPolarHBondContact ND1-CB 3.49Å; H105-L107 PolarHBondContact ND1-N 3.07Å; H105-L107 PolarHBondContact O-N 3.28Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.47Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.16Å; L107-V111 PolarHBondContact O-N 2.95Å; L107-V111 VanDerWaalsContact O-N 3.07Å
108M90.3Very high89Confident4 Ų453.1 Ų53.12%0.0229%0.289CS..Hα-helixtrans-58.3-41.7-175-172.353.97700112I101 N102 H105 P106 L110 V111 I112 I137 E141I101-M108 HydrophobicContact CG2-CE 3.71Å; N102-M108 VanDerWaalsContact O-CE 3.28Å; N102-M108 WeakPolarHBondContact O-CE 3.48Å; H105-M108 VanDerWaalsContact O-CB 3.27Å; H105-M108 WeakPolarHBondContact O-CB 3.47Å; H105-M108 PolarHBondContact O-N 3.45Å; P106-M108 VanDerWaalsContact C-N 3.34Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 3.45Å; M108-V111 CarbonylContact O-C 3.6Å; M108-V111 WeakPolarHBondContact O-CA 3.41Å; M108-V111 WeakPolarHBondContact O-CB 3.43Å; M108-V111 PolarHBondContact O-N 2.83Å; M108-V111 HydrophobicContact SD-CB 4.31Å; M108-V111 HydrophobicContact SD-CG1 4.46Å; M108-I112 HydrophobicContact CG-CD1 3.91Å; M108-I112 HydrophobicContact CG-CG1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.43Å; M108-I112 PolarHBondContact O-N 2.81Å; M108-I112 HydrophobicContact SD-CD1 4.49Å; M108-I112 HydrophobicContact SD-CG1 4.35Å; M108-I137 HydrophobicContact CE-CD1 4.34Å; M108-I137 HydrophobicContact CE-CG2 4.25Å; M108-I137 HydrophobicContact SD-CD1 4.43Å; M108-E141 VanDerWaalsContact CG-OE2 3.28Å; M108-E141 WeakPolarHBondContact CG-OE2 3.36Å
109N90.5Very high89.2Confident112 Ų11252.4 Ų52.460%0.59928%0.283SS*.Hα-helixtrans-56.7-39.4174.5-77.9-47000113.4L107 S113L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.47Å; N109-S113 WeakPolarHBondContact O-CB 3.1Å; N109-S113 PolarHBondContact O-N 3.33Å
110L91.5Very high89.3Confident95 Ų9554.9 Ų54.950%0.49730%0.295SS..Hα-helixtrans-68.2-41175.7-89.672.3000111.1V79 L107 M108 S113 R114V79-L110 HydrophobicContact CG1-CB 4.1Å; V79-L110 HydrophobicContact CG1-CD2 4.37Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.16Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 3.45Å; L110-S113 PolarHBondContact O-N 3.44Å; L110-R114 WeakPolarHBondContact O-CG 3.23Å; L110-R114 PolarHBondContact O-N 3.22Å
111V94.8Very high89.5Confident0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-60.7-49175.9175.20000110.4V79 I97 I101 L107 M108 S113 R114 L115V79-V111 HydrophobicContact CG2-CG2 3.79Å; I97-V111 HydrophobicContact CD1-CG2 4.04Å; I97-V111 HydrophobicContact CG2-CG1 3.81Å; I97-V111 HydrophobicContact CG2-CG2 4.15Å; I101-V111 HydrophobicContact CD1-CG2 4.47Å; L107-V111 PolarHBondContact O-N 2.95Å; L107-V111 VanDerWaalsContact O-N 3.07Å; M108-V111 CarbonylContact O-C 3.6Å; M108-V111 WeakPolarHBondContact O-CA 3.41Å; M108-V111 WeakPolarHBondContact O-CB 3.43Å; M108-V111 PolarHBondContact O-N 2.83Å; M108-V111 HydrophobicContact SD-CB 4.31Å; M108-V111 HydrophobicContact SD-CG1 4.46Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 3.25Å; V111-R114 PolarHBondContact O-N 3.12Å; V111-R114 VanDerWaalsContact O-N 3.12Å; V111-L115 HydrophobicContact CG1-CD1 3.74Å; V111-L115 HydrophobicContact CG1-CG 4.32Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 3.39Å
112I94.5Very high89.7Confident5 Ų566.7 Ų66.73%0.02634%0.341CS..Hα-helixtrans-58.2-43.5177-69.8169.9000110.8M108 R114 L115 K116 E141 M142 N145 F146M108-I112 HydrophobicContact CG-CD1 3.91Å; M108-I112 HydrophobicContact CG-CG1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.43Å; M108-I112 PolarHBondContact O-N 2.81Å; M108-I112 HydrophobicContact SD-CD1 4.49Å; M108-I112 HydrophobicContact SD-CG1 4.35Å; I112-R114 PolarHBondContact O-N 2.98Å; I112-L115 PolarHBondContact O-N 2.76Å; I112-K116 HydrophobicContact CG2-CD 4.39Å; I112-K116 WeakPolarHBondContact O-CG 3.46Å; I112-K116 PolarHBondContact O-N 2.94Å; I112-E141 VanDerWaalsContact CD1-CD 3.47Å; I112-E141 HydrophobicContact CD1-CG 3.68Å; I112-E141 WeakPolarHBondContact CD1-OE1 3.23Å; I112-M142 HydrophobicContact CD1-SD 4.47Å; I112-M142 HydrophobicContact CG1-CE 4.39Å; I112-M142 HydrophobicContact CG1-SD 4.03Å; I112-N145 HydrophobicContact CG2-CB 4.03Å; I112-F146 HydrophobicContact CG2-CE2 4.25Å; I112-F146 HydrophobicContact CG2-CZ 4.12Å
113S94.5Very high90.4Very high49 Ų4965.3 Ų65.334%0.34333%0.334SS..Hα-helixtrans-59.8-45175.21740000112N109 L110 V111 K116 D117N109-S113 WeakPolarHBondContact O-CB 3.1Å; N109-S113 PolarHBondContact O-N 3.33Å; L110-S113 PolarHBondContact O-N 3.44Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 3.25Å; S113-K116 WeakPolarHBondContact O-CB 3.23Å; S113-K116 PolarHBondContact O-N 3.36Å; S113-D117 PolarHBondContact O-N 3.21Å; S113-D117 VanDerWaalsContact O-N 3.13Å
114R95.1Very high91.5Very high90 Ų9061.2 Ų61.234%0.3432%0.319SS..Hα-helixtrans-68.6-35.5178.8-66.7-55.9121.4-173.812113.1L82 L110 V111 I112 K116 D117 D118L82-R114 HydrophobicContact CB-CB 4.09Å; L82-R114 HydrophobicContact CB-CG 4.09Å; L82-R114 HydrophobicContact CD1-CB 3.93Å; L82-R114 HydrophobicContact CD1-CG 4.36Å; L110-R114 WeakPolarHBondContact O-CG 3.23Å; L110-R114 PolarHBondContact O-N 3.22Å; V111-R114 PolarHBondContact O-N 3.12Å; V111-R114 VanDerWaalsContact O-N 3.12Å; I112-R114 PolarHBondContact O-N 2.98Å; R114-K116 VanDerWaalsContact C-N 3.34Å; R114-D117 IonicContact CZ-OD2 3.94Å; R114-D117 VanDerWaalsContact CZ-OD2 3.27Å; R114-D117 IonicContact NE-OD2 3.11Å; R114-D117 IonicContact NH1-OD2 2.71Å; R114-D117 PolarHBondContact NH1-OD2 3.42Å; R114-D117 IonicContact NH2-OD2 3.32Å; R114-D117 PolarHBondContact O-N 3.39Å; R114-D118 PolarHBondContact O-N 2.91Å
115L96.8Very high92.4Very high0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-63.7-40.7173.8-73.6168.4000111.7Y94 V111 I112 D117 D118 L119 A130 C133 I134 M142 F146Y94-L115 HydrophobicContact CD1-CD2 4.1Å; Y94-L115 HydrophobicContact CE1-CD2 3.24Å; Y94-L115 HydrophobicContact CE1-CG 3.9Å; V111-L115 HydrophobicContact CG1-CD1 3.74Å; V111-L115 HydrophobicContact CG1-CG 4.32Å; V111-L115 WeakPolarHBondContact O-CB 3.27Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 3.39Å; I112-L115 PolarHBondContact O-N 2.76Å; L115-D117 VanDerWaalsContact C-N 3.34Å; L115-D117 PolarHBondContact O-N 2.97Å; L115-D118 PolarHBondContact O-N 3.48Å; L115-L119 WeakPolarHBondContact O-CB 3.12Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.29Å; L115-A130 VanDerWaalsContact CD2-CA 3.4Å; L115-A130 HydrophobicContact CD2-CB 3.54Å; L115-C133 HydrophobicContact CD2-CB 3.99Å; L115-I134 HydrophobicContact CD1-CG1 4Å; L115-I134 HydrophobicContact CD2-CD1 4.47Å; L115-I134 HydrophobicContact CD2-CG1 4.18Å; L115-M142 HydrophobicContact CD1-CE 3.01Å; L115-M142 HydrophobicContact CG-CE 4.46Å; L115-F146 HydrophobicContact CB-CE1 4.19Å; L115-F146 HydrophobicContact CB-CE2 4.49Å; L115-F146 HydrophobicContact CB-CZ 3.64Å; L115-F146 HydrophobicContact CD1-CZ 4.43Å
116K96.3Very high92.9Very high64 Ų6458.5 Ų58.528%0.27830%0.299SS..Hα-helixtrans-60-44.2173-72.5175.1-176.7176.10111.5I112 S113 R114 N120 N145 F146I112-K116 HydrophobicContact CG2-CD 4.39Å; I112-K116 WeakPolarHBondContact O-CG 3.46Å; I112-K116 PolarHBondContact O-N 2.94Å; S113-K116 WeakPolarHBondContact O-CB 3.23Å; S113-K116 PolarHBondContact O-N 3.36Å; R114-K116 VanDerWaalsContact C-N 3.34Å; K116-N120 WeakPolarHBondContact O-CB 3.17Å; K116-N120 VanDerWaalsContact O-CG 3.25Å; K116-N120 PolarHBondContact O-N 3.46Å; K116-N120 VanDerWaalsContact O-N 3.11Å; K116-N120 PolarHBondContact O-ND2 3.48Å; K116-N145 VanDerWaalsContact CE-OD1 3.23Å; K116-N145 WeakPolarHBondContact CE-OD1 3.35Å; K116-N145 PolarHBondContact NZ-OD1 3.32Å; K116-F146 HydrophobicContact CG-CE1 3.66Å; K116-F146 HydrophobicContact CG-CZ 4.01Å
117D95.6Very high93.4Very high75 Ų7554.1 Ų54.140%0.40127%0.269SS..Hα-helixtrans-62-45.7177.8-65.8-19.1000111.8S113 R114 L115 N120 S121S113-D117 PolarHBondContact O-N 3.21Å; S113-D117 VanDerWaalsContact O-N 3.13Å; R114-D117 IonicContact CZ-OD2 3.94Å; R114-D117 VanDerWaalsContact CZ-OD2 3.27Å; R114-D117 IonicContact NE-OD2 3.11Å; R114-D117 IonicContact NH1-OD2 2.71Å; R114-D117 PolarHBondContact NH1-OD2 3.42Å; R114-D117 IonicContact NH2-OD2 3.32Å; R114-D117 PolarHBondContact O-N 3.39Å; L115-D117 VanDerWaalsContact C-N 3.34Å; L115-D117 PolarHBondContact O-N 2.97Å; D117-N120 CarbonylContact O-C 3.53Å; D117-N120 PolarHBondContact O-N 3.5Å; D117-S121 PolarHBondContact O-N 3.26Å
118D96Very high93.8Very high10 Ų1053.8 Ų53.85%0.05327%0.268CS..Hα-helixtrans-71.1-36.1-177.8-81.8-17.3000113K90 Y94 R114 L115 N120 S121 F126 M127 A130K90-D118 IonicContact NZ-OD1 3.4Å; K90-D118 PolarHBondContact NZ-OD1 2.57Å; K90-D118 IonicContact NZ-OD2 3.47Å; K90-D118 PolarHBondContact NZ-OD2 2.89Å; Y94-D118 VanDerWaalsContact CE2-OD2 3.28Å; Y94-D118 WeakPolarHBondContact CE2-OD2 3.44Å; Y94-D118 PolarHBondContact OH-OD2 3.21Å; R114-D118 PolarHBondContact O-N 2.91Å; L115-D118 PolarHBondContact O-N 3.48Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.38Å; D118-S121 WeakPolarHBondContact O-CB 3.42Å; D118-S121 PolarHBondContact O-N 3.22Å; D118-S121 PolarHBondContact O-OG 2.56Å; D118-F126 HydrophobicContact CB-CB 4.2Å; D118-M127 VanDerWaalsContact O-CG 3.3Å; D118-M127 WeakPolarHBondContact O-CG 3.45Å; D118-A130 HydrophobicContact CB-CB 4Å
119L95Very high94.1Very high6 Ų654.2 Ų54.23%0.03127%0.27CS..Hα-helixtrans-65.5-32.7172.3-74.1-176.7000112.7L115 S121 A130 L131 I134 F146 L153L115-L119 WeakPolarHBondContact O-CB 3.12Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.29Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-A130 HydrophobicContact CD2-CB 3.91Å; L119-A130 HydrophobicContact CG-CB 4.06Å; L119-L131 HydrophobicContact CD2-CD2 3.81Å; L119-L131 HydrophobicContact CD2-CG 3.77Å; L119-I134 HydrophobicContact CD1-CD1 3.66Å; L119-I134 HydrophobicContact CD2-CD1 4.47Å; L119-I134 HydrophobicContact CG-CD1 4.29Å; L119-F146 HydrophobicContact CD1-CD1 3.53Å; L119-F146 HydrophobicContact CD1-CE1 3.69Å; L119-L153 HydrophobicContact CD2-CD1 3.99Å
120N92.4Very high94.4Very high118 Ų11848.9 Ų48.963%0.63124%0.242SC*.THydrogen-bonded Turntrans-84.6-6.7176.3-70.4-23.4000112.9K116 D117 D118K116-N120 WeakPolarHBondContact O-CB 3.17Å; K116-N120 VanDerWaalsContact O-CG 3.25Å; K116-N120 PolarHBondContact O-N 3.46Å; K116-N120 VanDerWaalsContact O-N 3.11Å; K116-N120 PolarHBondContact O-ND2 3.48Å; D117-N120 CarbonylContact O-C 3.53Å; D117-N120 PolarHBondContact O-N 3.5Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.38Å
121S90.5Very high94.7Very high33 Ų3344.4 Ų44.423%0.23122%0.218CC..SBendtrans-72.8156.6179.282.90000111.4D117 D118 L119 N123D117-S121 PolarHBondContact O-N 3.26Å; D118-S121 WeakPolarHBondContact O-CB 3.42Å; D118-S121 PolarHBondContact O-N 3.22Å; D118-S121 PolarHBondContact O-OG 2.56Å; L119-S121 VanDerWaalsContact C-N 3.31Å; S121-N123 PolarHBondContact O-N 3.02Å; S121-N123 PolarHBondContact OG-N 3.32Å
122R86.7Confident94.8Very high253 Ų25348.6 Ų48.696%0.95524%0.238SC*.SBendtrans-82.35172.5-63.4-176.1-179.2179.3-0.5113.2P124R122-P124 WeakPolarHBondContact O-CD 3.36Å
123N92.9Very high94.8Very high57 Ų5748.4 Ų48.431%0.30524%0.237SC..  trans-97108.4-176.2-173.1-21.8000110.5S121 V125 F126 M127S121-N123 PolarHBondContact O-N 3.02Å; S121-N123 PolarHBondContact OG-N 3.32Å; N123-V125 PolarHBondContact O-N 2.77Å; N123-V125 VanDerWaalsContact O-N 3.16Å; N123-V125 WeakPolarHBondContact OD1-CB 3.43Å; N123-V125 PolarHBondContact OD1-N 3.02Å; N123-F126 HydrophobicContact CB-CB 4.25Å; N123-F126 HydrophobicContact CB-CD2 3.78Å; N123-F126 HydrophobicContact CB-CE2 4.32Å; N123-F126 HydrophobicContact CB-CG 4.04Å; N123-F126 WeakPolarHBondContact ND2-CE2 3.21Å; N123-F126 WeakPolarHBondContact ND2-CZ 3.43Å; N123-F126 PolarHBondContact O-N 3.49Å; N123-M127 WeakPolarHBondContact O-CG 3.27Å; N123-M127 PolarHBondContact O-N 3.26Å; N123-M127 VanDerWaalsContact O-N 3.11Å
124P92.8Very high94.9Very high42 Ų4246 Ų4627%0.27322%0.221SC..Hα-helixtrans-63.5-27.5-17527.3-36.3000113.1R122 N128 I160 I163R122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-N128 WeakPolarHBondContact O-CB 3.45Å; P124-N128 VanDerWaalsContact O-CG 3.3Å; P124-N128 PolarHBondContact O-N 3.32Å; P124-N128 PolarHBondContact O-ND2 3.46Å; P124-N128 VanDerWaalsContact O-ND2 3.08Å; P124-I160 HydrophobicContact CB-CD1 3.84Å; P124-I160 HydrophobicContact CG-CD1 3.95Å; P124-I163 HydrophobicContact CB-CD1 3.77Å; P124-I163 HydrophobicContact CB-CG1 4.34Å
125V94.2Very high94.9Very high61 Ų6142.8 Ų42.837%0.3721%0.213SC..Hα-helixtrans-67.2-41.6177.5-175.90000110.5Y87 N123 N128 L129Y87-V125 HydrophobicContact CD2-CG1 3.15Å; Y87-V125 HydrophobicContact CE2-CG1 3.39Å; Y87-V125 HydrophobicContact CG-CG1 4.02Å; N123-V125 PolarHBondContact O-N 2.77Å; N123-V125 VanDerWaalsContact O-N 3.16Å; N123-V125 WeakPolarHBondContact OD1-CB 3.43Å; N123-V125 PolarHBondContact OD1-N 3.02Å; V125-N128 PolarHBondContact O-N 3.48Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.22Å; V125-L129 VanDerWaalsContact O-N 3.09Å
126F95.7Very high94.7Very high16 Ų1647.9 Ų47.97%0.0724%0.24CC..Hα-helixtrans-72-39.8179.3-62.7-11.2000111.6K90 D118 N123 N128 L129 A130K90-F126 HydrophobicContact CD-CD1 3.71Å; K90-F126 HydrophobicContact CD-CD2 4.14Å; K90-F126 HydrophobicContact CD-CE1 3.64Å; K90-F126 HydrophobicContact CD-CE2 4.06Å; K90-F126 HydrophobicContact CD-CG 3.99Å; K90-F126 HydrophobicContact CD-CZ 3.82Å; D118-F126 HydrophobicContact CB-CB 4.2Å; N123-F126 HydrophobicContact CB-CB 4.25Å; N123-F126 HydrophobicContact CB-CD2 3.78Å; N123-F126 HydrophobicContact CB-CE2 4.32Å; N123-F126 HydrophobicContact CB-CG 4.04Å; N123-F126 WeakPolarHBondContact ND2-CE2 3.21Å; N123-F126 WeakPolarHBondContact ND2-CZ 3.43Å; N123-F126 PolarHBondContact O-N 3.49Å; F126-N128 VanDerWaalsContact C-N 3.31Å; F126-N128 PolarHBondContact O-N 2.87Å; F126-L129 PolarHBondContact O-N 3Å; F126-A130 WeakPolarHBondContact O-CB 3.43Å; F126-A130 PolarHBondContact O-N 2.87Å
127M96.3Very high94.5Very high17 Ų1746.2 Ų46.28%0.08423%0.234CC..Hα-helixtrans-57.4-44.9172.5-63.6173.275.500111.5D118 N123 A130 L131 L153 I163D118-M127 VanDerWaalsContact O-CG 3.3Å; D118-M127 WeakPolarHBondContact O-CG 3.45Å; N123-M127 WeakPolarHBondContact O-CG 3.27Å; N123-M127 PolarHBondContact O-N 3.26Å; N123-M127 VanDerWaalsContact O-N 3.11Å; M127-A130 PolarHBondContact O-N 2.89Å; M127-L131 WeakPolarHBondContact O-CG 3.49Å; M127-L131 PolarHBondContact O-N 3.46Å; M127-L153 HydrophobicContact CE-CD1 4.31Å; M127-L153 HydrophobicContact CE-CD2 3.66Å; M127-I163 HydrophobicContact CB-CD1 4.34Å; M127-I163 HydrophobicContact CB-CG1 4.42Å; M127-I163 HydrophobicContact CE-CD1 3.9Å; M127-I163 HydrophobicContact CE-CG2 4.1Å; M127-I163 HydrophobicContact SD-CD1 3.63Å
128N96.8Very high94.2Very high23 Ų2343 Ų4312%0.12322%0.219CC..Hα-helixtrans-64-43.3177.9-78.8-37.3000112.7P124 V125 F126 A130 L131 Q132 S162 I163 N166P124-N128 WeakPolarHBondContact O-CB 3.45Å; P124-N128 VanDerWaalsContact O-CG 3.3Å; P124-N128 PolarHBondContact O-N 3.32Å; P124-N128 PolarHBondContact O-ND2 3.46Å; P124-N128 VanDerWaalsContact O-ND2 3.08Å; V125-N128 PolarHBondContact O-N 3.48Å; F126-N128 VanDerWaalsContact C-N 3.31Å; F126-N128 PolarHBondContact O-N 2.87Å; N128-A130 VanDerWaalsContact C-N 3.29Å; N128-A130 PolarHBondContact O-N 3.39Å; N128-L131 PolarHBondContact O-N 2.92Å; N128-Q132 WeakPolarHBondContact O-CB 3.47Å; N128-Q132 VanDerWaalsContact O-CG 3.26Å; N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 2.82Å; N128-S162 PolarHBondContact ND2-OG 2.74Å; N128-S162 VanDerWaalsContact ND2-OG 3.13Å; N128-S162 PolarHBondContact OD1-O 2.88Å; N128-I163 WeakPolarHBondContact OD1-CA 3.38Å; N128-N166 VanDerWaalsContact CG-ND2 3.33Å; N128-N166 PolarHBondContact OD1-ND2 3.16Å
129L96.9Very high93.9Very high12 Ų1242.8 Ų42.86%0.06322%0.218CC..Hα-helixtrans-60.4-41.1174.5-71175.5000111.6Y87 K90 Q91 Y94 V125 F126 C133Y87-L129 HydrophobicContact CD2-CD1 3.85Å; Y87-L129 HydrophobicContact CE2-CD1 3.87Å; Y87-L129 HydrophobicContact CE2-CD2 4.17Å; Y87-L129 HydrophobicContact CE2-CG 4.23Å; K90-L129 HydrophobicContact CB-CD1 4.13Å; Q91-L129 HydrophobicContact CB-CD1 4.3Å; Q91-L129 HydrophobicContact CB-CD2 4.23Å; Q91-L129 HydrophobicContact CG-CD2 4.11Å; Y94-L129 HydrophobicContact CD2-CB 3.59Å; Y94-L129 HydrophobicContact CD2-CD1 4.14Å; Y94-L129 HydrophobicContact CD2-CG 4.42Å; Y94-L129 HydrophobicContact CE2-CB 3.99Å; Y94-L129 HydrophobicContact CG-CB 4.3Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.22Å; V125-L129 VanDerWaalsContact O-N 3.09Å; F126-L129 PolarHBondContact O-N 3Å; L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.43Å
130A97.1Very high93.7Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-64.8-48.4177.600000111.9L115 D118 L119 F126 M127 N128 Q132 C133 I134L115-A130 VanDerWaalsContact CD2-CA 3.4Å; L115-A130 HydrophobicContact CD2-CB 3.54Å; D118-A130 HydrophobicContact CB-CB 4Å; L119-A130 HydrophobicContact CD2-CB 3.91Å; L119-A130 HydrophobicContact CG-CB 4.06Å; F126-A130 WeakPolarHBondContact O-CB 3.43Å; F126-A130 PolarHBondContact O-N 2.87Å; M127-A130 PolarHBondContact O-N 2.89Å; N128-A130 VanDerWaalsContact C-N 3.29Å; N128-A130 PolarHBondContact O-N 3.39Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.39Å; A130-C133 PolarHBondContact O-N 3.36Å; A130-I134 WeakPolarHBondContact O-CD1 3.49Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.26Å; A130-I134 PolarHBondContact O-N 3.23Å
131L97.9Very high93.6Very high1 Ų144.6 Ų44.61%0.00522%0.218CC..Hα-helixtrans-59.3-42.9176.9-71.9169.6000112.2L119 M127 N128 I134 A135 I150 I163 N166 A167 C170L119-L131 HydrophobicContact CD2-CD2 3.81Å; L119-L131 HydrophobicContact CD2-CG 3.77Å; M127-L131 WeakPolarHBondContact O-CG 3.49Å; M127-L131 PolarHBondContact O-N 3.46Å; N128-L131 PolarHBondContact O-N 2.92Å; L131-I134 PolarHBondContact O-N 2.96Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.05Å; L131-I150 HydrophobicContact CD2-CD1 4.11Å; L131-I150 HydrophobicContact CD2-CG1 4.12Å; L131-I150 HydrophobicContact CD2-CG2 4.38Å; L131-I163 HydrophobicContact CD1-CG2 3.97Å; L131-N166 HydrophobicContact CB-CB 3.98Å; L131-N166 HydrophobicContact CD1-CB 3.88Å; L131-A167 HydrophobicContact CD1-CB 4.24Å; L131-C170 HydrophobicContact CD2-CB 4.29Å; L131-C170 PolarHBondContact O-SG 3.34Å
132Q96.5Very high93.7Very high88 Ų8843 Ų4341%0.41121%0.207SC..Hα-helixtrans-62.6-43.9176.1-73.5173.4-6.100111.7N128 A130 A135 N136N128-Q132 WeakPolarHBondContact O-CB 3.47Å; N128-Q132 VanDerWaalsContact O-CG 3.26Å; N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 2.82Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.39Å; Q132-A135 PolarHBondContact O-N 2.89Å; Q132-N136 WeakPolarHBondContact O-CB 3.35Å; Q132-N136 PolarHBondContact O-N 3.15Å; Q132-N136 PolarHBondContact O-ND2 3.22Å; Q132-N136 VanDerWaalsContact O-ND2 3.12Å
133C95.9Very high94Very high1 Ų131 Ų311%0.00716%0.161CC..Hα-helixtrans-62.7-45.7177.1-174.30000111.8Y94 S98 L115 L129 A130 A135 N136 I137Y94-C133 HydrophobicContact CD1-CB 3.61Å; Y94-C133 HydrophobicContact CE1-CB 4.21Å; Y94-C133 HydrophobicContact CG-CB 4.31Å; S98-C133 WeakPolarHBondContact OG-CA 3.42Å; L115-C133 HydrophobicContact CD2-CB 3.99Å; L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.43Å; A130-C133 PolarHBondContact O-N 3.36Å; C133-A135 VanDerWaalsContact C-N 3.34Å; C133-A135 PolarHBondContact O-N 3.41Å; C133-N136 PolarHBondContact O-N 3.18Å; C133-I137 WeakPolarHBondContact O-CG1 3.33Å; C133-I137 PolarHBondContact O-N 3.33Å
134I96.1Very high94Very high0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-57.1-48176.2-68.3161.5000110.7L115 L119 A130 L131 G138 M142 F146 I150 C170 L174L115-I134 HydrophobicContact CD1-CG1 4Å; L115-I134 HydrophobicContact CD2-CD1 4.47Å; L115-I134 HydrophobicContact CD2-CG1 4.18Å; L119-I134 HydrophobicContact CD1-CD1 3.66Å; L119-I134 HydrophobicContact CD2-CD1 4.47Å; L119-I134 HydrophobicContact CG-CD1 4.29Å; A130-I134 WeakPolarHBondContact O-CD1 3.49Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.26Å; A130-I134 PolarHBondContact O-N 3.23Å; L131-I134 PolarHBondContact O-N 2.96Å; I134-G138 PolarHBondContact O-N 3.17Å; I134-M142 HydrophobicContact CB-CE 4.35Å; I134-M142 HydrophobicContact CB-CG 4.27Å; I134-M142 HydrophobicContact CG1-CE 3.74Å; I134-M142 HydrophobicContact CG1-CG 4.36Å; I134-M142 HydrophobicContact CG2-CG 3.7Å; I134-F146 HydrophobicContact CD1-CD1 3.91Å; I134-F146 HydrophobicContact CD1-CD2 4.03Å; I134-F146 HydrophobicContact CD1-CE1 4.03Å; I134-F146 HydrophobicContact CD1-CE2 4.18Å; I134-F146 HydrophobicContact CD1-CG 3.92Å; I134-F146 HydrophobicContact CD1-CZ 4.18Å; I134-F146 HydrophobicContact CG1-CD2 4.07Å; I134-F146 HydrophobicContact CG1-CE2 4.1Å; I134-F146 HydrophobicContact CG1-CG 4.45Å; I134-F146 HydrophobicContact CG1-CZ 4.45Å; I134-F146 HydrophobicContact CG2-CD2 4.23Å; I134-I150 HydrophobicContact CG2-CD1 4.08Å; I134-C170 WeakPolarHBondContact CG2-SG 3.43Å; I134-L174 HydrophobicContact CG2-CD1 4.44Å; I134-L174 HydrophobicContact CG2-CD2 4.26Å
135A94.4Very high94Very high22 Ų2233 Ų3318%0.18217%0.166CC..Hα-helixtrans-65.8-38.8179.200000112.5L131 Q132 C133 C170 K173L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.05Å; Q132-A135 PolarHBondContact O-N 2.89Å; C133-A135 VanDerWaalsContact C-N 3.34Å; C133-A135 PolarHBondContact O-N 3.41Å; A135-C170 HydrophobicContact CB-CB 4.07Å; A135-K173 WeakPolarHBondContact O-CG 3.41Å
136N92.6Very high94.1Very high106 Ų10630 Ų3057%0.56715%0.149SC*.Hα-helixtrans-70.9-42.3-179.1-73.3-28.9000112.4Q132 C133Q132-N136 WeakPolarHBondContact O-CB 3.35Å; Q132-N136 PolarHBondContact O-N 3.15Å; Q132-N136 PolarHBondContact O-ND2 3.22Å; Q132-N136 VanDerWaalsContact O-ND2 3.12Å; C133-N136 PolarHBondContact O-N 3.18Å
137I92.4Very high93.8Very high29 Ų2929.7 Ų29.715%0.14915%0.149CC..Hα-helixtrans-65.4-53.8173.8-64.7171.1000109.1I97 M108 C133 S139 M142I97-I137 HydrophobicContact CG2-CD1 4.1Å; M108-I137 HydrophobicContact CE-CD1 4.34Å; M108-I137 HydrophobicContact CE-CG2 4.25Å; M108-I137 HydrophobicContact SD-CD1 4.43Å; C133-I137 WeakPolarHBondContact O-CG1 3.33Å; C133-I137 PolarHBondContact O-N 3.33Å; I137-S139 PolarHBondContact O-N 3.38Å; I137-S139 VanDerWaalsContact O-N 3.13Å; I137-M142 HydrophobicContact CD1-CE 4.03Å
138G88.4Confident93.6Very high8 Ų832.9 Ų32.98%0.08217%0.166CC..  trans50.541.2172.300000114.2I134 V177I134-G138 PolarHBondContact O-N 3.17Å; G138-V177 WeakPolarHBondContact O-CG1 3.22Å; G138-V177 WeakPolarHBondContact O-CG2 3.4Å
139S90.6Very high93.3Very high6 Ų634.6 Ų34.64%0.04217%0.172CC..  trans-89.2166.1175.665.80000111.4E103 I137 E141 M142 A143E103-S139 WeakPolarHBondContact OE2-CB 3.43Å; I137-S139 PolarHBondContact O-N 3.38Å; I137-S139 VanDerWaalsContact O-N 3.13Å; S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact O-N 2.93Å; S139-M142 VanDerWaalsContact O-CB 3.22Å; S139-M142 WeakPolarHBondContact O-CB 3.2Å; S139-M142 PolarHBondContact O-N 3.39Å; S139-M142 VanDerWaalsContact O-N 3.14Å; S139-M142 PolarHBondContact OG-N 3.1Å; S139-A143 PolarHBondContact O-N 3.41Å
140R90.4Very high93.3Very high110 Ų11034 Ų3442%0.41517%0.169SC..Hα-helixtrans-61-41.6175.1-173.5173.7-140.6-87.39.1112.1M142 A143 E144 A178 E180 L181R140-M142 PolarHBondContact O-N 3.08Å; R140-A143 WeakPolarHBondContact O-CA 3.34Å; R140-A143 WeakPolarHBondContact O-CB 3.35Å; R140-A143 PolarHBondContact O-N 2.8Å; R140-E144 IonicContact CZ-OE1 2.81Å; R140-E144 IonicContact NH1-OE1 2.72Å; R140-E144 PolarHBondContact NH1-OE1 3.34Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.31Å; R140-A178 HydrophobicContact CG-CB 4.23Å; R140-E180 IonicContact CZ-OE1 2.77Å; R140-E180 VanDerWaalsContact CZ-OE1 3.22Å; R140-E180 IonicContact NE-OE1 3.32Å; R140-E180 PolarHBondContact NE-OE1 3.37Å; R140-E180 IonicContact NH2-OE1 3.34Å; R140-E180 PolarHBondContact NH2-OE1 3.15Å; R140-L181 HydrophobicContact CG-CD1 4.42Å
141E90.5Very high93.2Very high51 Ų5134.3 Ų34.324%0.23817%0.171CC..Hα-helixtrans-57.9-35175.5-169.2-177.2-169.500111.6M108 I112 S139 E144 N145M108-E141 VanDerWaalsContact CG-OE2 3.28Å; M108-E141 WeakPolarHBondContact CG-OE2 3.36Å; I112-E141 VanDerWaalsContact CD1-CD 3.47Å; I112-E141 HydrophobicContact CD1-CG 3.68Å; I112-E141 WeakPolarHBondContact CD1-OE1 3.23Å; S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact O-N 2.93Å; E141-E144 PolarHBondContact O-N 3.25Å; E141-N145 PolarHBondContact O-N 3.3Å; E141-N145 VanDerWaalsContact O-N 3.16Å; E141-N145 PolarHBondContact O-ND2 3.22Å
142M93Very high92.9Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-65.5-44173.3-128.462.1174.400112.3I112 L115 I134 I137 S139 R140 N145 F146 L174I112-M142 HydrophobicContact CD1-SD 4.47Å; I112-M142 HydrophobicContact CG1-CE 4.39Å; I112-M142 HydrophobicContact CG1-SD 4.03Å; L115-M142 HydrophobicContact CD1-CE 3.01Å; L115-M142 HydrophobicContact CG-CE 4.46Å; I134-M142 HydrophobicContact CB-CE 4.35Å; I134-M142 HydrophobicContact CB-CG 4.27Å; I134-M142 HydrophobicContact CG1-CE 3.74Å; I134-M142 HydrophobicContact CG1-CG 4.36Å; I134-M142 HydrophobicContact CG2-CG 3.7Å; I137-M142 HydrophobicContact CD1-CE 4.03Å; S139-M142 VanDerWaalsContact O-CB 3.22Å; S139-M142 WeakPolarHBondContact O-CB 3.2Å; S139-M142 PolarHBondContact O-N 3.39Å; S139-M142 VanDerWaalsContact O-N 3.14Å; S139-M142 PolarHBondContact OG-N 3.1Å; R140-M142 PolarHBondContact O-N 3.08Å; M142-N145 PolarHBondContact O-N 3.3Å; M142-F146 HydrophobicContact CE-CD2 4.34Å; M142-F146 HydrophobicContact CE-CE2 3.7Å; M142-F146 HydrophobicContact CG-CD2 3.87Å; M142-F146 HydrophobicContact CG-CE2 4.08Å; M142-F146 WeakPolarHBondContact O-CB 3.36Å; M142-F146 WeakPolarHBondContact O-CD2 3.21Å; M142-F146 PolarHBondContact O-N 3.45Å; M142-F146 HydrophobicContact SD-CD2 4.24Å; M142-F146 HydrophobicContact SD-CE2 3.86Å; M142-L174 HydrophobicContact CB-CD2 4.23Å
143A92.4Very high92.8Very high0 Ų038.1 Ų38.10%019%0.188CC..Hα-helixtrans-61.6-45.3175.500000111.1S139 R140 N145 F146 A147 L174 A178 L181S139-A143 PolarHBondContact O-N 3.41Å; R140-A143 WeakPolarHBondContact O-CA 3.34Å; R140-A143 WeakPolarHBondContact O-CB 3.35Å; R140-A143 PolarHBondContact O-N 2.8Å; A143-N145 PolarHBondContact O-N 3.28Å; A143-F146 PolarHBondContact O-N 3.12Å; A143-A147 WeakPolarHBondContact O-CB 3.5Å; A143-A147 PolarHBondContact O-N 3.35Å; A143-L174 HydrophobicContact CB-CB 4.4Å; A143-L174 HydrophobicContact CB-CD2 4.14Å; A143-A178 HydrophobicContact CB-CB 3.62Å; A143-L181 HydrophobicContact CB-CD1 3.83Å
144E93Very high92.8Very high106 Ų10638 Ų3850%0.49519%0.187SC..Hα-helixtrans-57.7-33.3177.8-68.5171.8179.400113R140 E141 L181R140-E144 IonicContact CZ-OE1 2.81Å; R140-E144 IonicContact NH1-OE1 2.72Å; R140-E144 PolarHBondContact NH1-OE1 3.34Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.31Å; E141-E144 PolarHBondContact O-N 3.25Å; E144-L181 HydrophobicContact CB-CD1 4.24Å; E144-L181 HydrophobicContact CG-CD1 3.32Å; E144-L181 HydrophobicContact CG-CD2 4.37Å; E144-L181 HydrophobicContact CG-CG 4.5Å
145N93.7Very high92.6Very high35 Ų3539.1 Ų39.119%0.18719%0.194CC..Hα-helixtrans-91-21.2-176.9-81.7-85.4000115.2I112 K116 E141 M142 A143I112-N145 HydrophobicContact CG2-CB 4.03Å; K116-N145 VanDerWaalsContact CE-OD1 3.23Å; K116-N145 WeakPolarHBondContact CE-OD1 3.35Å; K116-N145 PolarHBondContact NZ-OD1 3.32Å; E141-N145 PolarHBondContact O-N 3.3Å; E141-N145 VanDerWaalsContact O-N 3.16Å; E141-N145 PolarHBondContact O-ND2 3.22Å; M142-N145 PolarHBondContact O-N 3.3Å; A143-N145 PolarHBondContact O-N 3.28Å
146F95.8Very high92.4Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-131.3-10.1-168.3-58.9-72.4000115I112 L115 K116 L119 I134 M142 A143 D148 K149 I150 L174I112-F146 HydrophobicContact CG2-CE2 4.25Å; I112-F146 HydrophobicContact CG2-CZ 4.12Å; L115-F146 HydrophobicContact CB-CE1 4.19Å; L115-F146 HydrophobicContact CB-CE2 4.49Å; L115-F146 HydrophobicContact CB-CZ 3.64Å; L115-F146 HydrophobicContact CD1-CZ 4.43Å; K116-F146 HydrophobicContact CG-CE1 3.66Å; K116-F146 HydrophobicContact CG-CZ 4.01Å; L119-F146 HydrophobicContact CD1-CD1 3.53Å; L119-F146 HydrophobicContact CD1-CE1 3.69Å; I134-F146 HydrophobicContact CD1-CD1 3.91Å; I134-F146 HydrophobicContact CD1-CD2 4.03Å; I134-F146 HydrophobicContact CD1-CE1 4.03Å; I134-F146 HydrophobicContact CD1-CE2 4.18Å; I134-F146 HydrophobicContact CD1-CG 3.92Å; I134-F146 HydrophobicContact CD1-CZ 4.18Å; I134-F146 HydrophobicContact CG1-CD2 4.07Å; I134-F146 HydrophobicContact CG1-CE2 4.1Å; I134-F146 HydrophobicContact CG1-CG 4.45Å; I134-F146 HydrophobicContact CG1-CZ 4.45Å; I134-F146 HydrophobicContact CG2-CD2 4.23Å; M142-F146 HydrophobicContact CE-CD2 4.34Å; M142-F146 HydrophobicContact CE-CE2 3.7Å; M142-F146 HydrophobicContact CG-CD2 3.87Å; M142-F146 HydrophobicContact CG-CE2 4.08Å; M142-F146 WeakPolarHBondContact O-CB 3.36Å; M142-F146 WeakPolarHBondContact O-CD2 3.21Å; M142-F146 PolarHBondContact O-N 3.45Å; M142-F146 HydrophobicContact SD-CD2 4.24Å; M142-F146 HydrophobicContact SD-CE2 3.86Å; A143-F146 PolarHBondContact O-N 3.12Å; F146-D148 PolarHBondContact O-N 3.16Å; F146-K149 PolarHBondContact O-N 3.22Å; F146-K149 VanDerWaalsContact O-N 3.08Å; F146-I150 HydrophobicContact CB-CD1 3.91Å; F146-I150 HydrophobicContact CB-CG1 4.14Å; F146-I150 WeakPolarHBondContact O-CG1 3.47Å; F146-I150 PolarHBondContact O-N 3.13Å; F146-L174 HydrophobicContact CB-CD1 4.33Å
147A90.1Very high92.1Very high9 Ų938.2 Ų38.27%0.07421%0.205CC..THydrogen-bonded Turntrans-58.3-31.2-179.700000113.2A143 P151 I182A143-A147 WeakPolarHBondContact O-CB 3.5Å; A143-A147 PolarHBondContact O-N 3.35Å; A147-P151 WeakPolarHBondContact O-CD 3.5Å; A147-P151 WeakPolarHBondContact O-CG 3.44Å; A147-I182 HydrophobicContact CB-CG1 4.05Å
148D90.2Very high91.8Very high83 Ų8344.4 Ų44.444%0.44424%0.239SC..THydrogen-bonded Turntrans-84.7-18.9178.970-50.5000113.8F146 K152F146-D148 PolarHBondContact O-N 3.16Å; D148-K152 VanDerWaalsContact O-CE 3.28Å; D148-K152 WeakPolarHBondContact O-CE 3.41Å
149K92.4Very high92Very high59 Ų5945 Ų4526%0.25724%0.24SC..THydrogen-bonded Turntrans-96.6-44.4-174.5-65.3-176.8-175.2-175.10113F146 K152 L153F146-K149 PolarHBondContact O-N 3.22Å; F146-K149 VanDerWaalsContact O-N 3.08Å; K149-K152 WeakPolarHBondContact O-CB 3.37Å; K149-K152 PolarHBondContact O-N 2.92Å; K149-K152 VanDerWaalsContact O-N 3.17Å; K149-L153 PolarHBondContact O-N 3.49Å
150I95.5Very high92.1Very high0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-62.9-40.2-174-63.4-179000112.7L131 I134 F146 K152 L153 L154 A167 C170 L171 L174L131-I150 HydrophobicContact CD2-CD1 4.11Å; L131-I150 HydrophobicContact CD2-CG1 4.12Å; L131-I150 HydrophobicContact CD2-CG2 4.38Å; I134-I150 HydrophobicContact CG2-CD1 4.08Å; F146-I150 HydrophobicContact CB-CD1 3.91Å; F146-I150 HydrophobicContact CB-CG1 4.14Å; F146-I150 WeakPolarHBondContact O-CG1 3.47Å; F146-I150 PolarHBondContact O-N 3.13Å; I150-K152 PolarHBondContact O-N 2.92Å; I150-L153 WeakPolarHBondContact O-CB 3.5Å; I150-L153 PolarHBondContact O-N 3.01Å; I150-L153 VanDerWaalsContact O-N 3.11Å; I150-L154 PolarHBondContact O-N 3.24Å; I150-A167 HydrophobicContact CG2-CB 3.99Å; I150-A167 WeakPolarHBondContact CG2-O 3.37Å; I150-C170 HydrophobicContact CD1-CB 4.22Å; I150-C170 WeakPolarHBondContact CD1-SG 3.26Å; I150-L171 HydrophobicContact CG2-CB 3.93Å; I150-L174 HydrophobicContact CD1-CD1 3.7Å
151P94.6Very high92.4Very high6 Ų646.5 Ų46.54%0.03926%0.255CS..Hα-helixtrans-57-37.7174.9-26.234.6000113.2A147 L153 L154 V155 L171 W187A147-P151 WeakPolarHBondContact O-CD 3.5Å; A147-P151 WeakPolarHBondContact O-CG 3.44Å; P151-L153 VanDerWaalsContact C-N 3.35Å; P151-L153 PolarHBondContact O-N 3.47Å; P151-L154 WeakPolarHBondContact O-CB 3.4Å; P151-L154 PolarHBondContact O-N 3.35Å; P151-V155 WeakPolarHBondContact O-CG2 3.31Å; P151-V155 PolarHBondContact O-N 3.49Å; P151-V155 VanDerWaalsContact O-N 3.15Å; P151-L171 HydrophobicContact CB-CD2 4.28Å; P151-L171 HydrophobicContact CG-CD1 3.97Å; P151-L171 HydrophobicContact CG-CD2 3.87Å; P151-W187 HydrophobicContact CB-CB 4.1Å; P151-W187 HydrophobicContact CB-CD2 3.64Å; P151-W187 HydrophobicContact CB-CE3 4.11Å; P151-W187 HydrophobicContact CB-CG 3.61Å; P151-W187 HydrophobicContact CG-CD2 4.27Å
152K92.6Very high92.6Very high139 Ų13946.1 Ų46.160%0.60426%0.259SS*.Hα-helixtrans-65.1-39.1177.9-60.4173.8-176164.80111.7D148 K149 I150 L154 S156D148-K152 VanDerWaalsContact O-CE 3.28Å; D148-K152 WeakPolarHBondContact O-CE 3.41Å; K149-K152 WeakPolarHBondContact O-CB 3.37Å; K149-K152 PolarHBondContact O-N 2.92Å; K149-K152 VanDerWaalsContact O-N 3.17Å; I150-K152 PolarHBondContact O-N 2.92Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-S156 VanDerWaalsContact O-CB 3.26Å; K152-S156 WeakPolarHBondContact O-CB 3.49Å; K152-S156 PolarHBondContact O-N 2.89Å
153L94.1Very high92.8Very high30 Ų3046.4 Ų46.416%0.15726%0.26CS..Hα-helixtrans-67.6-31.6174.4-66.2177.7000112.5L119 M127 K149 I150 P151 T159 A167L119-L153 HydrophobicContact CD2-CD1 3.99Å; M127-L153 HydrophobicContact CE-CD1 4.31Å; M127-L153 HydrophobicContact CE-CD2 3.66Å; K149-L153 PolarHBondContact O-N 3.49Å; I150-L153 WeakPolarHBondContact O-CB 3.5Å; I150-L153 PolarHBondContact O-N 3.01Å; I150-L153 VanDerWaalsContact O-N 3.11Å; P151-L153 VanDerWaalsContact C-N 3.35Å; P151-L153 PolarHBondContact O-N 3.47Å; L153-T159 HydrophobicContact CD2-CG2 4.46Å; L153-T159 WeakPolarHBondContact O-CG2 3.44Å; L153-T159 PolarHBondContact O-OG1 2.9Å; L153-T159 VanDerWaalsContact O-OG1 3.07Å; L153-A167 HydrophobicContact CB-CB 4.42Å
154L95.6Very high93Very high0 Ų047.4 Ų47.40%026%0.264CS..Hα-helixtrans-70.1-42.1178.7175.861.1000112.4I150 P151 K152 K164 A167 A168 L171 A191 L194 L209I150-L154 PolarHBondContact O-N 3.24Å; P151-L154 WeakPolarHBondContact O-CB 3.4Å; P151-L154 PolarHBondContact O-N 3.35Å; K152-L154 VanDerWaalsContact C-N 3.31Å; L154-K164 HydrophobicContact CD1-CB 4.43Å; L154-K164 WeakPolarHBondContact CD1-O 3.44Å; L154-A167 HydrophobicContact CB-CB 4.13Å; L154-A168 HydrophobicContact CD1-CB 3.75Å; L154-A168 HydrophobicContact CD2-CB 4.46Å; L154-L171 HydrophobicContact CD2-CD2 4.21Å; L154-A191 HydrophobicContact CD2-CB 4.17Å; L154-L194 HydrophobicContact CD1-CD1 3.51Å; L154-L194 HydrophobicContact CD2-CD1 4.42Å; L154-L194 HydrophobicContact CG-CD1 3.83Å; L154-L209 HydrophobicContact CD2-CD2 3.42Å; L154-L209 VanDerWaalsContact CD2-CD2 3.42Å
155V92.3Very high93.3Very high22 Ų2244.8 Ų44.813%0.13325%0.252CS..Hα-helixtrans-100.3-2.7-170-54.50000114.4P151 W187 R190P151-V155 WeakPolarHBondContact O-CG2 3.31Å; P151-V155 PolarHBondContact O-N 3.49Å; P151-V155 VanDerWaalsContact O-N 3.15Å; V155-W187 HydrophobicContact CG1-CB 4.11Å; V155-W187 HydrophobicContact CG2-CB 4.31Å; V155-R190 HydrophobicContact CB-CB 3.87Å; V155-R190 HydrophobicContact CG1-CB 3.71Å
156S90.7Very high93.4Very high42 Ų4244.9 Ų44.929%0.29425%0.252SS..  trans-70.4133.2179.4174.90000111.7K152 D158 T159 K164K152-S156 VanDerWaalsContact O-CB 3.26Å; K152-S156 WeakPolarHBondContact O-CB 3.49Å; K152-S156 PolarHBondContact O-N 2.89Å; S156-D158 VanDerWaalsContact C-N 3.29Å; S156-D158 PolarHBondContact O-N 3.29Å; S156-T159 PolarHBondContact O-N 3.3Å; S156-T159 PolarHBondContact O-OG1 2.95Å; S156-K164 WeakPolarHBondContact O-CE 3.35Å
157G85.3Confident93.6Very high68 Ų6844.9 Ų44.970%0.70125%0.252SS*.THydrogen-bonded Turntrans-62.4-34179.100000113.7T159G157-T159 VanDerWaalsContact C-N 3.3Å; G157-T159 PolarHBondContact O-N 2.86Å
158D87.4Confident93.9Very high159 Ų15944.4 Ų44.485%0.8525%0.249SC*.THydrogen-bonded Turntrans-83.5-4.9-175.4-59.1-35.9000113.5S156S156-D158 VanDerWaalsContact C-N 3.29Å; S156-D158 PolarHBondContact O-N 3.29Å
159T91.3Very high94.3Very high19 Ų1944.2 Ų44.212%0.11725%0.248CC..SBendtrans-80.4133.9-178.251.50000112L153 S156 G157 K164L153-T159 HydrophobicContact CD2-CG2 4.46Å; L153-T159 WeakPolarHBondContact O-CG2 3.44Å; L153-T159 PolarHBondContact O-OG1 2.9Å; L153-T159 VanDerWaalsContact O-OG1 3.07Å; S156-T159 PolarHBondContact O-N 3.3Å; S156-T159 PolarHBondContact O-OG1 2.95Å; G157-T159 VanDerWaalsContact C-N 3.3Å; G157-T159 PolarHBondContact O-N 2.86Å; T159-K164 WeakPolarHBondContact O-CE 3.33Å; T159-K164 WeakPolarHBondContact OG1-CE 3.46Å; T159-K164 WeakPolarHBondContact OG1-CG 3.36Å
160I94.2Very high94.6Very high91 Ų9141.4 Ų41.447%0.46724%0.235SC..  trans-68.5145.1180-50.8179.7000109.9P124 S162 I163 K164P124-I160 HydrophobicContact CB-CD1 3.84Å; P124-I160 HydrophobicContact CG-CD1 3.95Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 3.11Å; I160-S162 VanDerWaalsContact O-N 3.09Å; I160-I163 HydrophobicContact CB-CD1 4.37Å; I160-I163 WeakPolarHBondContact O-CB 3.4Å; I160-I163 PolarHBondContact O-N 2.74Å; I160-K164 PolarHBondContact O-N 3.25Å
161D95.5Very high94.6Very high57 Ų5741.4 Ų41.431%0.30524%0.235SC..Hα-helixtrans-51.3-37-176.2-56.7-29000114.7I163 K164 Q165 H199 V202D161-I163 VanDerWaalsContact C-N 3.34Å; D161-I163 PolarHBondContact O-N 2.97Å; D161-K164 PolarHBondContact O-N 3.3Å; D161-Q165 VanDerWaalsContact O-CG 3.28Å; D161-Q165 WeakPolarHBondContact O-CG 3.23Å; D161-Q165 PolarHBondContact O-N 3.31Å; D161-Q165 PolarHBondContact O-NE2 3.22Å; D161-H199 HydrophobicContact CB-CB 4.14Å; D161-H199 IonicContact OD2-CD2 2.98Å; D161-H199 PolarHBondContact OD2-CD2 2.6Å; D161-H199 IonicContact OD2-CG 2.67Å; D161-V202 HydrophobicContact CB-CG2 3.73Å; D161-V202 WeakPolarHBondContact O-CG2 2.82Å
162S95Very high94.7Very high44 Ų4441.8 Ų41.831%0.30824%0.237SC..Hα-helixtrans-66.2-35.5177.863.50000112.9N128 I160 N166N128-S162 PolarHBondContact ND2-OG 2.74Å; N128-S162 VanDerWaalsContact ND2-OG 3.13Å; N128-S162 PolarHBondContact OD1-O 2.88Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 3.11Å; I160-S162 VanDerWaalsContact O-N 3.09Å; S162-N166 PolarHBondContact O-N 2.94Å; S162-N166 VanDerWaalsContact O-N 3.16Å; S162-N166 PolarHBondContact O-ND2 3.1Å
163I96.9Very high94.8Very high5 Ų539 Ų393%0.02623%0.225CC..Hα-helixtrans-69.8-45.8176.2-64.2166.9000109.1P124 M127 N128 L131 I160 D161 Q165 N166 A167P124-I163 HydrophobicContact CB-CD1 3.77Å; P124-I163 HydrophobicContact CB-CG1 4.34Å; M127-I163 HydrophobicContact CB-CD1 4.34Å; M127-I163 HydrophobicContact CB-CG1 4.42Å; M127-I163 HydrophobicContact CE-CD1 3.9Å; M127-I163 HydrophobicContact CE-CG2 4.1Å; M127-I163 HydrophobicContact SD-CD1 3.63Å; N128-I163 WeakPolarHBondContact OD1-CA 3.38Å; L131-I163 HydrophobicContact CD1-CG2 3.97Å; I160-I163 HydrophobicContact CB-CD1 4.37Å; I160-I163 WeakPolarHBondContact O-CB 3.4Å; I160-I163 PolarHBondContact O-N 2.74Å; D161-I163 VanDerWaalsContact C-N 3.34Å; D161-I163 PolarHBondContact O-N 2.97Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.18Å; I163-N166 PolarHBondContact O-N 2.84Å; I163-A167 WeakPolarHBondContact O-CB 3.43Å; I163-A167 PolarHBondContact O-N 3.49Å
164K97.5Very high94.9Very high21 Ų2137.6 Ų37.69%0.09122%0.217CC..Hα-helixtrans-56.2-43.2176.3-67.9-179.4177.8164.60111.7L154 S156 T159 I160 D161 A167 A168 V202L154-K164 HydrophobicContact CD1-CB 4.43Å; L154-K164 WeakPolarHBondContact CD1-O 3.44Å; S156-K164 WeakPolarHBondContact O-CE 3.35Å; T159-K164 WeakPolarHBondContact O-CE 3.33Å; T159-K164 WeakPolarHBondContact OG1-CE 3.46Å; T159-K164 WeakPolarHBondContact OG1-CG 3.36Å; I160-K164 PolarHBondContact O-N 3.25Å; D161-K164 PolarHBondContact O-N 3.3Å; K164-A167 PolarHBondContact O-N 3.06Å; K164-A168 WeakPolarHBondContact O-CB 3.16Å; K164-A168 PolarHBondContact O-N 3.05Å; K164-V202 HydrophobicContact CB-CG1 4.09Å; K164-V202 HydrophobicContact CB-CG2 4.14Å; K164-V202 HydrophobicContact CD-CG1 4.27Å
165Q97.7Very high94.7Very high51 Ų5138.2 Ų38.224%0.23822%0.22CC..Hα-helixtrans-58.3-52.1176.2-75.6168.773.300112.7D161 I163 A167 A168 L169 H199 G201 V202 S205D161-Q165 VanDerWaalsContact O-CG 3.28Å; D161-Q165 WeakPolarHBondContact O-CG 3.23Å; D161-Q165 PolarHBondContact O-N 3.31Å; D161-Q165 PolarHBondContact O-NE2 3.22Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.18Å; Q165-A167 VanDerWaalsContact C-N 3.34Å; Q165-A168 PolarHBondContact O-N 3.32Å; Q165-L169 WeakPolarHBondContact O-CG 3.07Å; Q165-L169 PolarHBondContact O-N 3.21Å; Q165-H199 PolarHBondContact NE2-CE1 2.79Å; Q165-H199 VanDerWaalsContact NE2-CE1 3.28Å; Q165-G201 VanDerWaalsContact CG-C 3.47Å; Q165-G201 WeakPolarHBondContact CG-O 3.45Å; Q165-V202 HydrophobicContact CG-CG2 4.06Å; Q165-S205 WeakPolarHBondContact CA-OG 3.48Å
166N97.7Very high94.7Very high37 Ų3745.3 Ų45.320%0.19825%0.245CC..Hα-helixtrans-68.8-34.2179.7-71.8-41000111.9N128 L131 S162 I163 L169 C170N128-N166 VanDerWaalsContact CG-ND2 3.33Å; N128-N166 PolarHBondContact OD1-ND2 3.16Å; L131-N166 HydrophobicContact CB-CB 3.98Å; L131-N166 HydrophobicContact CD1-CB 3.88Å; S162-N166 PolarHBondContact O-N 2.94Å; S162-N166 VanDerWaalsContact O-N 3.16Å; S162-N166 PolarHBondContact O-ND2 3.1Å; I163-N166 PolarHBondContact O-N 2.84Å; N166-L169 PolarHBondContact O-N 2.97Å; N166-C170 WeakPolarHBondContact O-CB 3.12Å; N166-C170 PolarHBondContact O-N 3.29Å
167A98Very high94.8Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-65.4-43.2176.700000111.4L131 I150 L153 L154 I163 K164 Q165 C170 L171L131-A167 HydrophobicContact CD1-CB 4.24Å; I150-A167 HydrophobicContact CG2-CB 3.99Å; I150-A167 WeakPolarHBondContact CG2-O 3.37Å; L153-A167 HydrophobicContact CB-CB 4.42Å; L154-A167 HydrophobicContact CB-CB 4.13Å; I163-A167 WeakPolarHBondContact O-CB 3.43Å; I163-A167 PolarHBondContact O-N 3.49Å; K164-A167 PolarHBondContact O-N 3.06Å; Q165-A167 VanDerWaalsContact C-N 3.34Å; A167-C170 PolarHBondContact O-N 2.97Å; A167-L171 VanDerWaalsContact O-CB 3.23Å; A167-L171 WeakPolarHBondContact O-CB 3.4Å; A167-L171 PolarHBondContact O-N 3.49Å
168A98.2Very high95Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-60.7-46.7176.500000112.1L154 K164 Q165 L172 L209L154-A168 HydrophobicContact CD1-CB 3.75Å; L154-A168 HydrophobicContact CD2-CB 4.46Å; K164-A168 WeakPolarHBondContact O-CB 3.16Å; K164-A168 PolarHBondContact O-N 3.05Å; Q165-A168 PolarHBondContact O-N 3.32Å; A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 PolarHBondContact O-N 3.07Å; A168-L209 HydrophobicContact CB-CB 4.49Å; A168-L209 HydrophobicContact CB-CD2 4.32Å
169L98.1Very high95Very high79 Ų7936.8 Ų36.841%0.41418%0.184SC..Hα-helixtrans-70.8-37.2179.4-64.3177.9000112.5Q165 N166 L172 K173Q165-L169 WeakPolarHBondContact O-CG 3.07Å; Q165-L169 PolarHBondContact O-N 3.21Å; N166-L169 PolarHBondContact O-N 2.97Å; L169-L172 WeakPolarHBondContact O-CB 2.99Å; L169-L172 PolarHBondContact O-N 3.26Å; L169-K173 PolarHBondContact O-N 2.99Å
170C97.9Very high94.8Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-64.3-45.9174.9-170.20000110.8L131 I134 A135 I150 N166 A167 L172 K173 L174L131-C170 HydrophobicContact CD2-CB 4.29Å; L131-C170 PolarHBondContact O-SG 3.34Å; I134-C170 WeakPolarHBondContact CG2-SG 3.43Å; A135-C170 HydrophobicContact CB-CB 4.07Å; I150-C170 HydrophobicContact CD1-CB 4.22Å; I150-C170 WeakPolarHBondContact CD1-SG 3.26Å; N166-C170 WeakPolarHBondContact O-CB 3.12Å; N166-C170 PolarHBondContact O-N 3.29Å; A167-C170 PolarHBondContact O-N 2.97Å; C170-L172 VanDerWaalsContact C-N 3.35Å; C170-L172 PolarHBondContact O-N 3.22Å; C170-K173 WeakPolarHBondContact O-CB 3.18Å; C170-K173 PolarHBondContact O-N 3.14Å; C170-K173 VanDerWaalsContact O-N 3.16Å; C170-L174 WeakPolarHBondContact O-CG 3.41Å; C170-L174 PolarHBondContact O-N 3.45Å
171L96.4Very high94.4Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-62.5-42.6176.4-173.855.7000111.6I150 P151 L154 A167 K173 L174 I175 I182 W187 L209I150-L171 HydrophobicContact CG2-CB 3.93Å; P151-L171 HydrophobicContact CB-CD2 4.28Å; P151-L171 HydrophobicContact CG-CD1 3.97Å; P151-L171 HydrophobicContact CG-CD2 3.87Å; L154-L171 HydrophobicContact CD2-CD2 4.21Å; A167-L171 VanDerWaalsContact O-CB 3.23Å; A167-L171 WeakPolarHBondContact O-CB 3.4Å; A167-L171 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 3.22Å; L171-L174 PolarHBondContact O-N 3Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L171-I175 HydrophobicContact CG-CD1 4.13Å; L171-I175 HydrophobicContact CG-CG1 4.49Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.15Å; L171-I175 PolarHBondContact O-N 3.43Å; L171-I182 HydrophobicContact CD1-CD1 4.13Å; L171-W187 HydrophobicContact CD2-CE3 4.12Å; L171-W187 HydrophobicContact CD2-CH2 3.58Å; L171-W187 HydrophobicContact CD2-CZ2 4.26Å; L171-W187 HydrophobicContact CD2-CZ3 3.5Å; L171-W187 VanDerWaalsContact CD2-CZ3 3.5Å; L171-W187 HydrophobicContact CG-CH2 4.38Å; L171-L209 HydrophobicContact CB-CD1 4.34Å; L171-L209 HydrophobicContact CD2-CD1 4.38Å; L171-L209 HydrophobicContact CD2-CD2 4.05Å; L171-L209 HydrophobicContact CG-CD1 4.14Å
172L96.2Very high93.9Very high13 Ų1336.8 Ų36.87%0.06818%0.18CC..Hα-helixtrans-54.1-44173170.862.2000111.8A168 L169 C170 R176 L209 A212A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 PolarHBondContact O-N 3.07Å; L169-L172 WeakPolarHBondContact O-CB 2.99Å; L169-L172 PolarHBondContact O-N 3.26Å; C170-L172 VanDerWaalsContact C-N 3.35Å; C170-L172 PolarHBondContact O-N 3.22Å; L172-R176 WeakPolarHBondContact O-CG 3.39Å; L172-R176 PolarHBondContact O-N 2.83Å; L172-L209 HydrophobicContact CB-CD1 4.13Å; L172-A212 HydrophobicContact CD1-CB 3.29Å
173K95.7Very high93.2Very high82 Ų8238.7 Ų38.736%0.35719%0.19SC..Hα-helixtrans-64.2-44.8176.2175.765.4175177.20111.6A135 L169 C170 L171 I175 R176 V177A135-K173 WeakPolarHBondContact O-CG 3.41Å; L169-K173 PolarHBondContact O-N 2.99Å; C170-K173 WeakPolarHBondContact O-CB 3.18Å; C170-K173 PolarHBondContact O-N 3.14Å; C170-K173 VanDerWaalsContact O-N 3.16Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 3.22Å; K173-I175 PolarHBondContact O-N 3.28Å; K173-R176 PolarHBondContact O-N 3.02Å; K173-V177 HydrophobicContact CD-CG2 4.16Å; K173-V177 HydrophobicContact CG-CG2 4.49Å; K173-V177 VanDerWaalsContact O-CG2 3.24Å; K173-V177 WeakPolarHBondContact O-CG2 3.37Å; K173-V177 PolarHBondContact O-N 2.88Å
174L94.8Very high92.1Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-63.5-39.8179-62.6-175.4000112.1I134 M142 A143 F146 I150 C170 L171 R176 V177 A178 I182I134-L174 HydrophobicContact CG2-CD1 4.44Å; I134-L174 HydrophobicContact CG2-CD2 4.26Å; M142-L174 HydrophobicContact CB-CD2 4.23Å; A143-L174 HydrophobicContact CB-CB 4.4Å; A143-L174 HydrophobicContact CB-CD2 4.14Å; F146-L174 HydrophobicContact CB-CD1 4.33Å; I150-L174 HydrophobicContact CD1-CD1 3.7Å; C170-L174 WeakPolarHBondContact O-CG 3.41Å; C170-L174 PolarHBondContact O-N 3.45Å; L171-L174 PolarHBondContact O-N 3Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.19Å; L174-V177 PolarHBondContact O-N 3.43Å; L174-A178 PolarHBondContact O-N 3.2Å; L174-I182 HydrophobicContact CB-CD1 4.44Å
175I91.9Very high91.1Very high12 Ų1244.9 Ų44.96%0.06222%0.22CC..Hα-helixtrans-56.9-42.1174.3-67.6163.3000111.4L171 K173 V177 P179 I182 L209 L213L171-I175 HydrophobicContact CG-CD1 4.13Å; L171-I175 HydrophobicContact CG-CG1 4.49Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.15Å; L171-I175 PolarHBondContact O-N 3.43Å; K173-I175 PolarHBondContact O-N 3.28Å; I175-V177 VanDerWaalsContact C-N 3.26Å; I175-V177 PolarHBondContact O-N 2.86Å; I175-P179 WeakPolarHBondContact O-CA 3.48Å; I175-P179 WeakPolarHBondContact O-CB 3.24Å; I175-P179 WeakPolarHBondContact O-CD 3.49Å; I175-I182 VanDerWaalsContact CA-CD1 3.45Å; I175-I182 HydrophobicContact CB-CD1 3.87Å; I175-I182 HydrophobicContact CD1-CD1 4.39Å; I175-I182 HydrophobicContact CG1-CD1 3.14Å; I175-I182 HydrophobicContact CG1-CG1 4.49Å; I175-L209 HydrophobicContact CD1-CD1 3.35Å; I175-L213 HydrophobicContact CD1-CD2 3.72Å; I175-L213 HydrophobicContact CD1-CG 4.46Å
176R92.8Very high90.4Very high172 Ų17248.4 Ų48.465%0.64924%0.241SC*.Hα-helixtrans-71-21.1179.5-70.7174177170.9-0.9113.5L172 K173 L174L172-R176 WeakPolarHBondContact O-CG 3.39Å; L172-R176 PolarHBondContact O-N 2.83Å; K173-R176 PolarHBondContact O-N 3.02Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.19Å
177V92Very high90.1Very high47 Ų4747.4 Ų47.429%0.28523%0.234SC..Hα-helixtrans-95-47.1-174.8170.90000111.6G138 K173 L174 I175G138-V177 WeakPolarHBondContact O-CG1 3.22Å; G138-V177 WeakPolarHBondContact O-CG2 3.4Å; K173-V177 HydrophobicContact CD-CG2 4.16Å; K173-V177 HydrophobicContact CG-CG2 4.49Å; K173-V177 VanDerWaalsContact O-CG2 3.24Å; K173-V177 WeakPolarHBondContact O-CG2 3.37Å; K173-V177 PolarHBondContact O-N 2.88Å; L174-V177 PolarHBondContact O-N 3.43Å; I175-V177 VanDerWaalsContact C-N 3.26Å; I175-V177 PolarHBondContact O-N 2.86Å
178A90.7Very high89.7Confident0 Ų048 Ų480%024%0.238CC..  trans-138.969.9-177.600000110.1R140 A143 L174 E180 L181R140-A178 HydrophobicContact CG-CB 4.23Å; A143-A178 HydrophobicContact CB-CB 3.62Å; L174-A178 PolarHBondContact O-N 3.2Å; A178-E180 PolarHBondContact O-N 2.94Å; A178-L181 HydrophobicContact CB-CB 4.38Å; A178-L181 HydrophobicContact CB-CD1 3.6Å; A178-L181 HydrophobicContact CB-CG 3.96Å; A178-L181 PolarHBondContact O-N 3.23Å; A178-L181 VanDerWaalsContact O-N 3.13Å
179P86.7Confident89.4Confident42 Ų4251.4 Ų51.427%0.27326%0.259SS..G310 helixtrans-55.2-31.9-177.918.3-29.6000113.6I175 L181 R216I175-P179 WeakPolarHBondContact O-CA 3.48Å; I175-P179 WeakPolarHBondContact O-CB 3.24Å; I175-P179 WeakPolarHBondContact O-CD 3.49Å; P179-L181 VanDerWaalsContact C-N 3.28Å; P179-L181 PolarHBondContact O-N 2.92Å; P179-R216 VanDerWaalsContact C-NH1 3.27Å; P179-R216 PolarHBondContact O-NH1 2.87Å; P179-R216 PolarHBondContact O-NH2 2.7Å
180E86.8Confident89.1Confident103 Ų10353.7 Ų53.748%0.48126%0.262SS..G310 helixtrans-68.4-20.1-179.663.8-75.6176.200114.5R140 A178R140-E180 IonicContact CZ-OE1 2.77Å; R140-E180 VanDerWaalsContact CZ-OE1 3.22Å; R140-E180 IonicContact NE-OE1 3.32Å; R140-E180 PolarHBondContact NE-OE1 3.37Å; R140-E180 IonicContact NH2-OE1 3.34Å; R140-E180 PolarHBondContact NH2-OE1 3.15Å; A178-E180 PolarHBondContact O-N 2.94Å
181L86.6Confident88.9Confident56 Ų5653.7 Ų53.729%0.29326%0.262SS..G310 helixtrans-88.2-7.3-177.7-63.3179.3000113.5R140 A143 E144 A178 P179R140-L181 HydrophobicContact CG-CD1 4.42Å; A143-L181 HydrophobicContact CB-CD1 3.83Å; E144-L181 HydrophobicContact CB-CD1 4.24Å; E144-L181 HydrophobicContact CG-CD1 3.32Å; E144-L181 HydrophobicContact CG-CD2 4.37Å; E144-L181 HydrophobicContact CG-CG 4.5Å; A178-L181 HydrophobicContact CB-CB 4.38Å; A178-L181 HydrophobicContact CB-CD1 3.6Å; A178-L181 HydrophobicContact CB-CG 3.96Å; A178-L181 PolarHBondContact O-N 3.23Å; A178-L181 VanDerWaalsContact O-N 3.13Å; P179-L181 VanDerWaalsContact C-N 3.28Å; P179-L181 PolarHBondContact O-N 2.92Å
182I83.6Confident88.8Confident8 Ų854.2 Ų54.24%0.04127%0.265CS..  trans-100.1117.4-173-64.7177.2000109.1A147 L171 L174 I175 Y184 W187A147-I182 HydrophobicContact CB-CG1 4.05Å; L171-I182 HydrophobicContact CD1-CD1 4.13Å; L174-I182 HydrophobicContact CB-CD1 4.44Å; I175-I182 VanDerWaalsContact CA-CD1 3.45Å; I175-I182 HydrophobicContact CB-CD1 3.87Å; I175-I182 HydrophobicContact CD1-CD1 4.39Å; I175-I182 HydrophobicContact CG1-CD1 3.14Å; I175-I182 HydrophobicContact CG1-CG1 4.49Å; I182-Y184 WeakPolarHBondContact O-CD2 3.4Å; I182-Y184 WeakPolarHBondContact O-CE2 3.32Å; I182-W187 HydrophobicContact CG2-CZ2 3.82Å
183T80.1Confident88.8Confident85 Ų8558.8 Ų58.852%0.52129%0.285SS..  trans-82.5127174.157.30000109.9D185 W187T183-D185 WeakPolarHBondContact CB-OD2 3.27Å; T183-D185 PolarHBondContact O-N 3.49Å; T183-D185 PolarHBondContact OG1-OD2 2.92Å; T183-W187 PolarHBondContact O-NE1 3.49Å
184Y75Confident88.8Confident62 Ų6255.6 Ų55.624%0.24327%0.272CS..  trans-88.182.5179-64.3-90.4000108.9I182 T188 L213 R216I182-Y184 WeakPolarHBondContact O-CD2 3.4Å; I182-Y184 WeakPolarHBondContact O-CE2 3.32Å; Y184-T188 HydrophobicContact CD1-CG2 3.92Å; Y184-L213 HydrophobicContact CD1-CD2 4.4Å; Y184-L213 HydrophobicContact CE1-CD2 3.69Å; Y184-R216 VanDerWaalsContact OH-CD 3.3Å; Y184-R216 WeakPolarHBondContact OH-CD 3.24Å; Y184-R216 VanDerWaalsContact OH-CZ 3.31Å; Y184-R216 PolarHBondContact OH-NH1 2.63Å
185D76.6Confident88.9Confident93 Ų9355.6 Ų55.650%0.49727%0.272SS..  trans-105.7-164.6-179.5-50.2-48.6000110.9T183 W187 T188T183-D185 WeakPolarHBondContact CB-OD2 3.27Å; T183-D185 PolarHBondContact O-N 3.49Å; T183-D185 PolarHBondContact OG1-OD2 2.92Å; D185-W187 PolarHBondContact O-N 3.42Å; D185-T188 PolarHBondContact O-N 3.23Å; D185-T188 PolarHBondContact O-OG1 3.47Å
186D82.1Confident89.1Confident126 Ų12658.3 Ų58.367%0.67429%0.286SS*.Hα-helixtrans-52.9-17178.7-62.5-20.8000115.9T188 R190D186-T188 VanDerWaalsContact C-N 3.31Å; D186-R190 PolarHBondContact O-N 3.25Å; D186-R190 PolarHBondContact O-NE 2.9Å
187W91Very high89.2Confident15 Ų1551.4 Ų51.46%0.05726%0.263CS..Hα-helixtrans-70.2-28.1178.774.6-97.5000111.9P151 V155 L171 I182 T183 D185 R190 A191 L209 L213P151-W187 HydrophobicContact CB-CB 4.1Å; P151-W187 HydrophobicContact CB-CD2 3.64Å; P151-W187 HydrophobicContact CB-CE3 4.11Å; P151-W187 HydrophobicContact CB-CG 3.61Å; P151-W187 HydrophobicContact CG-CD2 4.27Å; V155-W187 HydrophobicContact CG1-CB 4.11Å; V155-W187 HydrophobicContact CG2-CB 4.31Å; L171-W187 HydrophobicContact CD2-CE3 4.12Å; L171-W187 HydrophobicContact CD2-CH2 3.58Å; L171-W187 HydrophobicContact CD2-CZ2 4.26Å; L171-W187 HydrophobicContact CD2-CZ3 3.5Å; L171-W187 VanDerWaalsContact CD2-CZ3 3.5Å; L171-W187 HydrophobicContact CG-CH2 4.38Å; I182-W187 HydrophobicContact CG2-CZ2 3.82Å; T183-W187 PolarHBondContact O-NE1 3.49Å; D185-W187 PolarHBondContact O-N 3.42Å; W187-R190 CarbonylContact O-C 3.58Å; W187-R190 PolarHBondContact O-N 3.25Å; W187-A191 HydrophobicContact CE3-CB 4.12Å; W187-A191 HydrophobicContact CZ3-CB 4.19Å; W187-A191 WeakPolarHBondContact O-CB 3.46Å; W187-A191 PolarHBondContact O-N 2.89Å; W187-L209 HydrophobicContact CZ3-CD2 4.32Å; W187-L213 HydrophobicContact CH2-CD1 4.2Å; W187-L213 HydrophobicContact CH2-CD2 4.09Å; W187-L213 HydrophobicContact CZ3-CD1 4.23Å
188T91.4Very high89.2Confident14 Ų1456.8 Ų56.89%0.08629%0.285CS..Hα-helixtrans-65.6-45.3-179.658.80000110.6Y184 D185 D186 R190 A191 M192Y184-T188 HydrophobicContact CD1-CG2 3.92Å; D185-T188 PolarHBondContact O-N 3.23Å; D185-T188 PolarHBondContact O-OG1 3.47Å; D186-T188 VanDerWaalsContact C-N 3.31Å; T188-R190 VanDerWaalsContact C-N 3.34Å; T188-R190 PolarHBondContact O-N 2.73Å; T188-A191 WeakPolarHBondContact O-CB 3.27Å; T188-A191 PolarHBondContact O-N 3.34Å; T188-M192 PolarHBondContact O-N 3.09Å
189V90.8Very high89.4Confident71 Ų7159.6 Ų59.643%0.4330%0.298SS..Hα-helixtrans-60.5-44.8174.3179.90000110.7A191 M192 H193V189-A191 VanDerWaalsContact C-N 3.35Å; V189-A191 PolarHBondContact O-N 2.74Å; V189-M192 HydrophobicContact CB-CE 4.37Å; V189-M192 HydrophobicContact CG2-CE 4.19Å; V189-M192 WeakPolarHBondContact O-CB 3.46Å; V189-M192 PolarHBondContact O-N 3.15Å; V189-H193 PolarHBondContact O-N 3.48Å; V189-H193 VanDerWaalsContact O-N 3.16Å; V189-H193 PolarHBondContact O-ND1 3.24Å
190R92.8Very high89.8Confident126 Ų12658 Ų5848%0.47529%0.287SS..Hα-helixtrans-65.6-36.1175.9-73.1-174.8-79.4175.3-9.3112.7V155 D186 W187 T188 M192 H193 L194V155-R190 HydrophobicContact CB-CB 3.87Å; V155-R190 HydrophobicContact CG1-CB 3.71Å; D186-R190 PolarHBondContact O-N 3.25Å; D186-R190 PolarHBondContact O-NE 2.9Å; W187-R190 CarbonylContact O-C 3.58Å; W187-R190 PolarHBondContact O-N 3.25Å; T188-R190 VanDerWaalsContact C-N 3.34Å; T188-R190 PolarHBondContact O-N 2.73Å; R190-M192 VanDerWaalsContact C-N 3.34Å; R190-H193 WeakPolarHBondContact O-CB 3.39Å; R190-H193 PolarHBondContact O-N 2.87Å; R190-L194 PolarHBondContact O-N 2.98Å
191A94Very high90.2Very high1 Ų153.5 Ų53.51%0.00827%0.268CS..Hα-helixtrans-63.7-39.3174.200000111.3L154 W187 T188 V189 H193 L194L154-A191 HydrophobicContact CD2-CB 4.17Å; W187-A191 HydrophobicContact CE3-CB 4.12Å; W187-A191 HydrophobicContact CZ3-CB 4.19Å; W187-A191 WeakPolarHBondContact O-CB 3.46Å; W187-A191 PolarHBondContact O-N 2.89Å; T188-A191 WeakPolarHBondContact O-CB 3.27Å; T188-A191 PolarHBondContact O-N 3.34Å; V189-A191 VanDerWaalsContact C-N 3.35Å; V189-A191 PolarHBondContact O-N 2.74Å; A191-H193 VanDerWaalsContact C-N 3.31Å; A191-H193 PolarHBondContact O-N 3.37Å; A191-L194 VanDerWaalsContact O-CB 3.22Å; A191-L194 WeakPolarHBondContact O-CB 3.07Å; A191-L194 PolarHBondContact O-N 3.49Å; A191-L194 VanDerWaalsContact O-N 3.11Å
192M94.2Very high90.8Very high11 Ų1150.8 Ų50.85%0.05425%0.254CS..Hα-helixtrans-60.6-39.6171.9-67.3-169.8-75.300112.2T188 V189 R190 L194 L195 H221 C224 L227T188-M192 PolarHBondContact O-N 3.09Å; V189-M192 HydrophobicContact CB-CE 4.37Å; V189-M192 HydrophobicContact CG2-CE 4.19Å; V189-M192 WeakPolarHBondContact O-CB 3.46Å; V189-M192 PolarHBondContact O-N 3.15Å; R190-M192 VanDerWaalsContact C-N 3.34Å; M192-L194 PolarHBondContact O-N 3.23Å; M192-L195 VanDerWaalsContact O-CB 3.27Å; M192-L195 WeakPolarHBondContact O-CB 3.41Å; M192-L195 VanDerWaalsContact O-CG 3.24Å; M192-L195 WeakPolarHBondContact O-CG 3.24Å; M192-L195 PolarHBondContact O-N 3.42Å; M192-H221 HydrophobicContact SD-CB 4.07Å; M192-C224 HydrophobicContact CB-CB 4.48Å; M192-C224 HydrophobicContact CG-CB 4.12Å; M192-C224 HydrophobicContact SD-CB 3.83Å; M192-L227 HydrophobicContact CB-CD1 4.36Å; M192-L227 WeakPolarHBondContact O-CD1 3.36Å
193H95Very high91.4Very high109 Ų10950.4 Ų50.451%0.50525%0.252SS..Hα-helixtrans-65.1-16.9176.5-74.181.5000113.6V189 R190 A191 L195 N196V189-H193 PolarHBondContact O-N 3.48Å; V189-H193 VanDerWaalsContact O-N 3.16Å; V189-H193 PolarHBondContact O-ND1 3.24Å; R190-H193 WeakPolarHBondContact O-CB 3.39Å; R190-H193 PolarHBondContact O-N 2.87Å; A191-H193 VanDerWaalsContact C-N 3.31Å; A191-H193 PolarHBondContact O-N 3.37Å; H193-L195 PolarHBondContact O-N 3.31Å; H193-N196 WeakPolarHBondContact O-CB 3.47Å; H193-N196 PolarHBondContact O-N 3.48Å
194L96.4Very high92.3Very high15 Ų1548 Ų488%0.07924%0.237CC..G310 helixtrans-64.2-15.5170.8-61.1175.9000112.5L154 R190 A191 M192 N196 D197 V202 A206L154-L194 HydrophobicContact CD1-CD1 3.51Å; L154-L194 HydrophobicContact CD2-CD1 4.42Å; L154-L194 HydrophobicContact CG-CD1 3.83Å; R190-L194 PolarHBondContact O-N 2.98Å; A191-L194 VanDerWaalsContact O-CB 3.22Å; A191-L194 WeakPolarHBondContact O-CB 3.07Å; A191-L194 PolarHBondContact O-N 3.49Å; A191-L194 VanDerWaalsContact O-N 3.11Å; M192-L194 PolarHBondContact O-N 3.23Å; L194-N196 PolarHBondContact O-N 3.33Å; L194-N196 VanDerWaalsContact O-N 3.15Å; L194-D197 WeakPolarHBondContact O-CB 3.33Å; L194-D197 PolarHBondContact O-N 2.56Å; L194-V202 HydrophobicContact CB-CG1 4.44Å; L194-V202 HydrophobicContact CD1-CG1 4.42Å; L194-V202 HydrophobicContact CD2-CG1 4.22Å; L194-A206 HydrophobicContact CB-CB 3.73Å; L194-A206 HydrophobicContact CD1-CB 4.17Å
195L97.4Very high93.4Very high0 Ų045.5 Ų45.50%023%0.228CC..G310 helixtrans-59.6-21167.1-65.1179.5000112.5M192 H193 V203 V207 I210 C224 L227 A228 R231 L260 L263M192-L195 VanDerWaalsContact O-CB 3.27Å; M192-L195 WeakPolarHBondContact O-CB 3.41Å; M192-L195 VanDerWaalsContact O-CG 3.24Å; M192-L195 WeakPolarHBondContact O-CG 3.24Å; M192-L195 PolarHBondContact O-N 3.42Å; H193-L195 PolarHBondContact O-N 3.31Å; L195-V203 HydrophobicContact CD2-CG1 4.37Å; L195-V207 HydrophobicContact CD2-CB 4.4Å; L195-V207 HydrophobicContact CD2-CG2 3.27Å; L195-I210 HydrophobicContact CD1-CD1 4.03Å; L195-I210 HydrophobicContact CD2-CD1 3.77Å; L195-I210 HydrophobicContact CG-CD1 3.67Å; L195-C224 HydrophobicContact CD1-CB 3.98Å; L195-L227 HydrophobicContact CB-CB 3.9Å; L195-L227 HydrophobicContact CD1-CB 3.85Å; L195-A228 HydrophobicContact CD1-CB 4.27Å; L195-R231 PolarHBondContact O-NE 3.5Å; L195-R231 PolarHBondContact O-NH2 2.84Å; L195-L260 HydrophobicContact CD2-CD2 4.28Å; L195-L263 HydrophobicContact CD1-CD2 4.47Å
196N94.4Very high94.4Very high68 Ų6841.1 Ų41.136%0.36421%0.205SC..G310 helixtrans-98.25.6174.4-83.6-14.9000114.9H193 L194 L227 R231H193-N196 WeakPolarHBondContact O-CB 3.47Å; H193-N196 PolarHBondContact O-N 3.48Å; L194-N196 PolarHBondContact O-N 3.33Å; L194-N196 VanDerWaalsContact O-N 3.15Å; N196-L227 VanDerWaalsContact ND2-CD2 3.32Å; N196-L227 WeakPolarHBondContact ND2-CD2 3.42Å; N196-R231 PolarHBondContact O-NH2 2.82Å; N196-R231 VanDerWaalsContact O-NH2 3.15Å
197D95.4Very high95.2Very high28 Ų2835.2 Ų35.215%0.1517%0.174CC..  trans-62.1148.5177.8-161.3-73000113.4L194 H199 V202 V203 R231L194-D197 WeakPolarHBondContact O-CB 3.33Å; L194-D197 PolarHBondContact O-N 2.56Å; D197-H199 PolarHBondContact OD1-N 2.81Å; D197-V202 HydrophobicContact CB-CB 4.4Å; D197-V202 HydrophobicContact CB-CG1 4.18Å; D197-V203 HydrophobicContact CB-CG2 4.11Å; D197-R231 VanDerWaalsContact N-NH2 3.19Å; D197-R231 VanDerWaalsContact O-CZ 3.31Å; D197-R231 PolarHBondContact O-NH1 3.37Å; D197-R231 VanDerWaalsContact O-NH1 3.12Å; D197-R231 PolarHBondContact O-NH2 3.28Å
198Q93Very high95.5Very high160 Ų16035.2 Ų35.275%0.74818%0.176SC*.SBendtrans-70.7-34.5179.7-64.3-65.7-5.900111.7L200Q198-L200 PolarHBondContact O-N 3.09Å
199H94.4Very high95.8Very high58 Ų5834.6 Ų34.627%0.26917%0.172SC..  trans-87.7109.7-175.7-170-74.3000111.4D161 Q165 D197 G201 V202 V203 Y246D161-H199 HydrophobicContact CB-CB 4.14Å; D161-H199 IonicContact OD2-CD2 2.98Å; D161-H199 PolarHBondContact OD2-CD2 2.6Å; D161-H199 IonicContact OD2-CG 2.67Å; Q165-H199 PolarHBondContact NE2-CE1 2.79Å; Q165-H199 VanDerWaalsContact NE2-CE1 3.28Å; D197-H199 PolarHBondContact OD1-N 2.81Å; H199-G201 PolarHBondContact ND1-N 3.38Å; H199-G201 VanDerWaalsContact ND1-N 3.18Å; H199-G201 PolarHBondContact O-N 2.72Å; H199-G201 VanDerWaalsContact O-N 3.11Å; H199-V202 HydrophobicContact CB-CB 4.45Å; H199-V202 HydrophobicContact CB-CG2 3.97Å; H199-V202 PolarHBondContact ND1-N 3.39Å; H199-V202 WeakPolarHBondContact O-CA 3.47Å; H199-V202 WeakPolarHBondContact O-CB 3.35Å; H199-V202 PolarHBondContact O-N 3.45Å; H199-V203 PolarHBondContact O-N 2.81Å; H199-Y246 PolarHBondContact CE1-OH 2.68Å; H199-Y246 PolarHBondContact ND1-OH 2.71Å
200L95.3Very high96.1Very high9 Ų931.3 Ų31.35%0.04715%0.152CC..Hα-helixtrans-60.7-26.6-174.7-63.9-174.8000114.6Q198 V202 V203 T204 L235 L243 Y246 A253 L256Q198-L200 PolarHBondContact O-N 3.09Å; L200-V202 VanDerWaalsContact C-N 3.34Å; L200-V203 HydrophobicContact CD2-CG2 4.44Å; L200-V203 PolarHBondContact O-N 3.36Å; L200-T204 WeakPolarHBondContact O-CB 3.48Å; L200-T204 PolarHBondContact O-N 3.38Å; L200-T204 PolarHBondContact O-OG1 3.48Å; L200-L235 HydrophobicContact CD1-CD2 4.15Å; L200-L235 HydrophobicContact CD2-CD2 4.15Å; L200-L243 HydrophobicContact CD1-CD1 4.23Å; L200-L243 HydrophobicContact CD1-CD2 3.87Å; L200-Y246 HydrophobicContact CB-CD1 3.82Å; L200-Y246 HydrophobicContact CB-CD2 4.08Å; L200-Y246 HydrophobicContact CB-CE1 3.69Å; L200-Y246 HydrophobicContact CB-CE2 3.97Å; L200-Y246 HydrophobicContact CB-CG 4.01Å; L200-Y246 HydrophobicContact CD1-CD1 4.31Å; L200-Y246 HydrophobicContact CD1-CD2 3.95Å; L200-Y246 HydrophobicContact CD1-CG 3.79Å; L200-Y246 HydrophobicContact CG-CD2 4.39Å; L200-Y246 HydrophobicContact CG-CG 4.47Å; L200-A253 HydrophobicContact CD1-CB 4.3Å; L200-L256 HydrophobicContact CB-CD2 4.39Å; L200-L256 HydrophobicContact CD2-CD2 3.98Å
201G95.9Very high96.2Very high8 Ų826.6 Ų26.68%0.08214%0.137CC..Hα-helixtrans-62.4-39.5170.900000112.8Q165 H199 T204 S205 Y246Q165-G201 VanDerWaalsContact CG-C 3.47Å; Q165-G201 WeakPolarHBondContact CG-O 3.45Å; H199-G201 PolarHBondContact ND1-N 3.38Å; H199-G201 VanDerWaalsContact ND1-N 3.18Å; H199-G201 PolarHBondContact O-N 2.72Å; H199-G201 VanDerWaalsContact O-N 3.11Å; G201-T204 PolarHBondContact O-N 3.27Å; G201-S205 PolarHBondContact O-N 3.36Å; G201-S205 VanDerWaalsContact O-N 3.09Å; G201-S205 PolarHBondContact O-OG 3.46Å; G201-Y246 PolarHBondContact N-OH 2.93Å
202V97.4Very high96.2Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-65.7-45.5175.9178.30000109D161 K164 Q165 L194 D197 H199 L200 T204 S205 A206D161-V202 HydrophobicContact CB-CG2 3.73Å; D161-V202 WeakPolarHBondContact O-CG2 2.82Å; K164-V202 HydrophobicContact CB-CG1 4.09Å; K164-V202 HydrophobicContact CB-CG2 4.14Å; K164-V202 HydrophobicContact CD-CG1 4.27Å; Q165-V202 HydrophobicContact CG-CG2 4.06Å; L194-V202 HydrophobicContact CB-CG1 4.44Å; L194-V202 HydrophobicContact CD1-CG1 4.42Å; L194-V202 HydrophobicContact CD2-CG1 4.22Å; D197-V202 HydrophobicContact CB-CB 4.4Å; D197-V202 HydrophobicContact CB-CG1 4.18Å; H199-V202 HydrophobicContact CB-CB 4.45Å; H199-V202 HydrophobicContact CB-CG2 3.97Å; H199-V202 PolarHBondContact ND1-N 3.39Å; H199-V202 WeakPolarHBondContact O-CA 3.47Å; H199-V202 WeakPolarHBondContact O-CB 3.35Å; H199-V202 PolarHBondContact O-N 3.45Å; L200-V202 VanDerWaalsContact C-N 3.34Å; V202-T204 VanDerWaalsContact C-N 3.34Å; V202-T204 PolarHBondContact O-N 2.85Å; V202-S205 PolarHBondContact O-N 3.33Å; V202-S205 PolarHBondContact O-OG 2.89Å; V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 3.37Å
203V98Very high96.1Very high0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-57.1-46.9175-172.70000111.1L195 D197 H199 L200 S205 A206 V207 R231 L256L195-V203 HydrophobicContact CD2-CG1 4.37Å; D197-V203 HydrophobicContact CB-CG2 4.11Å; H199-V203 PolarHBondContact O-N 2.81Å; L200-V203 HydrophobicContact CD2-CG2 4.44Å; L200-V203 PolarHBondContact O-N 3.36Å; V203-S205 PolarHBondContact O-N 3.49Å; V203-A206 PolarHBondContact O-N 3.1Å; V203-V207 HydrophobicContact CG1-CG2 4.35Å; V203-V207 VanDerWaalsContact O-CG2 3.26Å; V203-V207 WeakPolarHBondContact O-CG2 3.24Å; V203-V207 PolarHBondContact O-N 3.11Å; V203-R231 HydrophobicContact CG1-CG 4.21Å; V203-L256 HydrophobicContact CB-CD1 4.45Å; V203-L256 HydrophobicContact CB-CD2 4.22Å; V203-L256 HydrophobicContact CG1-CD1 3.8Å; V203-L256 HydrophobicContact CG1-CD2 3.97Å
204T97.7Very high95.9Very high35 Ų3521.7 Ų21.722%0.21512%0.117CC..Hα-helixtrans-63.2-41.4-176.5-57.70000112.9L200 G201 V202 S208 K259L200-T204 WeakPolarHBondContact O-CB 3.48Å; L200-T204 PolarHBondContact O-N 3.38Å; L200-T204 PolarHBondContact O-OG1 3.48Å; G201-T204 PolarHBondContact O-N 3.27Å; V202-T204 VanDerWaalsContact C-N 3.34Å; V202-T204 PolarHBondContact O-N 2.85Å; T204-S208 PolarHBondContact O-OG 2.99Å; T204-K259 HydrophobicContact CG2-CD 4.01Å
205S98Very high95.5Very high8 Ų826.5 Ų26.56%0.05614%0.137CC..Hα-helixtrans-72.3-41.9175.951.10000111.5Q165 G201 V202 V203 V207 S208 L209Q165-S205 WeakPolarHBondContact CA-OG 3.48Å; G201-S205 PolarHBondContact O-N 3.36Å; G201-S205 VanDerWaalsContact O-N 3.09Å; G201-S205 PolarHBondContact O-OG 3.46Å; V202-S205 PolarHBondContact O-N 3.33Å; V202-S205 PolarHBondContact O-OG 2.89Å; V203-S205 PolarHBondContact O-N 3.49Å; S205-V207 PolarHBondContact O-N 3.48Å; S205-S208 WeakPolarHBondContact O-CB 3.44Å; S205-S208 PolarHBondContact O-N 3Å; S205-S208 VanDerWaalsContact O-N 3.14Å; S205-L209 PolarHBondContact O-N 2.9Å
206A98.1Very high94.9Very high1 Ų131.6 Ų31.61%0.00816%0.156CC..Hα-helixtrans-59.9-44.8175.200000112.5L194 V202 V203 S208 L209 I210L194-A206 HydrophobicContact CB-CB 3.73Å; L194-A206 HydrophobicContact CD1-CB 4.17Å; V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 3.37Å; V203-A206 PolarHBondContact O-N 3.1Å; A206-S208 PolarHBondContact O-N 3.1Å; A206-L209 WeakPolarHBondContact O-CB 3.25Å; A206-L209 PolarHBondContact O-N 3.33Å; A206-L209 VanDerWaalsContact O-N 3.08Å; A206-I210 HydrophobicContact CB-CD1 4.38Å; A206-I210 WeakPolarHBondContact O-CB 3.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.45Å; A206-I210 PolarHBondContact O-N 2.99Å
207V98.5Very high94.4Very high2 Ų229.7 Ų29.71%0.01215%0.148CC..Hα-helixtrans-56.9-38.3175.7175.10000111.3L195 V203 S205 L209 I210 D211 L256 K259 L260 L263L195-V207 HydrophobicContact CD2-CB 4.4Å; L195-V207 HydrophobicContact CD2-CG2 3.27Å; V203-V207 HydrophobicContact CG1-CG2 4.35Å; V203-V207 VanDerWaalsContact O-CG2 3.26Å; V203-V207 WeakPolarHBondContact O-CG2 3.24Å; V203-V207 PolarHBondContact O-N 3.11Å; S205-V207 PolarHBondContact O-N 3.48Å; V207-L209 VanDerWaalsContact C-N 3.33Å; V207-L209 PolarHBondContact O-N 3.47Å; V207-I210 PolarHBondContact O-N 2.9Å; V207-D211 WeakPolarHBondContact O-CB 3.37Å; V207-D211 PolarHBondContact O-N 3.34Å; V207-L256 HydrophobicContact CG2-CD1 3.98Å; V207-K259 HydrophobicContact CB-CB 4.47Å; V207-K259 HydrophobicContact CG1-CB 3.73Å; V207-L260 HydrophobicContact CG2-CD2 3.71Å; V207-L260 HydrophobicContact CG2-CG 4.37Å; V207-L263 HydrophobicContact CG1-CB 4.31Å; V207-L263 HydrophobicContact CG1-CD2 4.24Å
208S97.9Very high94Very high16 Ų1631 Ų3111%0.11216%0.158CC..Hα-helixtrans-68.1-35.1179.7-52.30000112.4T204 S205 A206 K259T204-S208 PolarHBondContact O-OG 2.99Å; S205-S208 WeakPolarHBondContact O-CB 3.44Å; S205-S208 PolarHBondContact O-N 3Å; S205-S208 VanDerWaalsContact O-N 3.14Å; A206-S208 PolarHBondContact O-N 3.1Å; S208-K259 PolarHBondContact OG-NZ 3.22Å
209L97.3Very high93.6Very high1 Ų129.5 Ų29.51%0.00515%0.151CC..Hα-helixtrans-69.7-49.3172.2172.163.7000110.9L154 A168 L171 L172 I175 W187 S205 A206 V207 D211 A212 L213L154-L209 HydrophobicContact CD2-CD2 3.42Å; L154-L209 VanDerWaalsContact CD2-CD2 3.42Å; A168-L209 HydrophobicContact CB-CB 4.49Å; A168-L209 HydrophobicContact CB-CD2 4.32Å; L171-L209 HydrophobicContact CB-CD1 4.34Å; L171-L209 HydrophobicContact CD2-CD1 4.38Å; L171-L209 HydrophobicContact CD2-CD2 4.05Å; L171-L209 HydrophobicContact CG-CD1 4.14Å; L172-L209 HydrophobicContact CB-CD1 4.13Å; I175-L209 HydrophobicContact CD1-CD1 3.35Å; W187-L209 HydrophobicContact CZ3-CD2 4.32Å; S205-L209 PolarHBondContact O-N 2.9Å; A206-L209 WeakPolarHBondContact O-CB 3.25Å; A206-L209 PolarHBondContact O-N 3.33Å; A206-L209 VanDerWaalsContact O-N 3.08Å; V207-L209 VanDerWaalsContact C-N 3.33Å; V207-L209 PolarHBondContact O-N 3.47Å; L209-D211 VanDerWaalsContact C-N 3.33Å; L209-D211 PolarHBondContact O-N 3.02Å; L209-A212 WeakPolarHBondContact O-CB 3.46Å; L209-A212 PolarHBondContact O-N 3.45Å; L209-A212 VanDerWaalsContact O-N 3.07Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.43Å; L209-L213 HydrophobicContact CG-CD1 4.17Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.4Å; L209-L213 VanDerWaalsContact O-N 3.11Å
210I97Very high93.2Very high1 Ų132.8 Ų32.81%0.00517%0.167CC..Hα-helixtrans-60-42.1-178.4-65.3160.8000110.9L195 A206 V207 A212 L213 V214 C224 L263L195-I210 HydrophobicContact CD1-CD1 4.03Å; L195-I210 HydrophobicContact CD2-CD1 3.77Å; L195-I210 HydrophobicContact CG-CD1 3.67Å; A206-I210 HydrophobicContact CB-CD1 4.38Å; A206-I210 WeakPolarHBondContact O-CB 3.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.45Å; A206-I210 PolarHBondContact O-N 2.99Å; V207-I210 PolarHBondContact O-N 2.9Å; I210-A212 PolarHBondContact O-N 2.95Å; I210-L213 WeakPolarHBondContact O-CB 3.35Å; I210-L213 PolarHBondContact O-N 2.91Å; I210-V214 HydrophobicContact CG2-CG2 3.92Å; I210-V214 WeakPolarHBondContact O-CB 3.16Å; I210-V214 VanDerWaalsContact O-CG2 3.3Å; I210-V214 WeakPolarHBondContact O-CG2 3.23Å; I210-V214 PolarHBondContact O-N 3.32Å; I210-C224 HydrophobicContact CG2-CB 3.99Å; I210-L263 HydrophobicContact CG2-CD1 4.04Å; I210-L263 HydrophobicContact CG2-CD2 4.14Å
211D95.8Very high92.9Very high28 Ų2832.5 Ų32.515%0.1517%0.165CC..Hα-helixtrans-56.8-36.1176.2-176.468.5000112.4V207 L209 K215 L263 N266V207-D211 WeakPolarHBondContact O-CB 3.37Å; V207-D211 PolarHBondContact O-N 3.34Å; L209-D211 VanDerWaalsContact C-N 3.33Å; L209-D211 PolarHBondContact O-N 3.02Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.96Å; D211-K215 IonicContact OD1-NZ 2.62Å; D211-K215 IonicContact OD2-NZ 2.99Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å; D211-L263 HydrophobicContact CB-CD1 4.19Å; D211-N266 PolarHBondContact OD1-ND2 3.21Å
212A92.4Very high92.5Very high18 Ų1835.9 Ų35.915%0.14918%0.177CC..Hα-helixtrans-74.9-33.2175.300000113.2L172 L209 I210L172-A212 HydrophobicContact CD1-CB 3.29Å; L209-A212 WeakPolarHBondContact O-CB 3.46Å; L209-A212 PolarHBondContact O-N 3.45Å; L209-A212 VanDerWaalsContact O-N 3.07Å; I210-A212 PolarHBondContact O-N 2.95Å
213L92.1Very high92.1Very high0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-68.1-45.5175-64.1173.7000111.1I175 Y184 W187 L209 I210 K215 R216 S217I175-L213 HydrophobicContact CD1-CD2 3.72Å; I175-L213 HydrophobicContact CD1-CG 4.46Å; Y184-L213 HydrophobicContact CD1-CD2 4.4Å; Y184-L213 HydrophobicContact CE1-CD2 3.69Å; W187-L213 HydrophobicContact CH2-CD1 4.2Å; W187-L213 HydrophobicContact CH2-CD2 4.09Å; W187-L213 HydrophobicContact CZ3-CD1 4.23Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.43Å; L209-L213 HydrophobicContact CG-CD1 4.17Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.4Å; L209-L213 VanDerWaalsContact O-N 3.11Å; I210-L213 WeakPolarHBondContact O-CB 3.35Å; I210-L213 PolarHBondContact O-N 2.91Å; L213-K215 VanDerWaalsContact C-N 3.35Å; L213-K215 PolarHBondContact O-N 3.02Å; L213-R216 PolarHBondContact O-N 2.56Å; L213-R216 VanDerWaalsContact O-N 3.11Å; L213-S217 PolarHBondContact O-N 3.19Å
214V91.9Very high91.9Very high0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-60-43.7178.7168.70000111.1I210 R216 S217 P218 H221 L263 N266 Y267I210-V214 HydrophobicContact CG2-CG2 3.92Å; I210-V214 WeakPolarHBondContact O-CB 3.16Å; I210-V214 VanDerWaalsContact O-CG2 3.3Å; I210-V214 WeakPolarHBondContact O-CG2 3.23Å; I210-V214 PolarHBondContact O-N 3.32Å; V214-R216 PolarHBondContact O-N 3.43Å; V214-R216 VanDerWaalsContact O-N 3.14Å; V214-S217 CarbonylContact O-C 3.58Å; V214-S217 PolarHBondContact O-N 2.78Å; V214-P218 VanDerWaalsContact O-CA 3.26Å; V214-P218 WeakPolarHBondContact O-CA 3.13Å; V214-P218 WeakPolarHBondContact O-CD 3.42Å; V214-P218 VanDerWaalsContact O-CG 3.24Å; V214-P218 WeakPolarHBondContact O-CG 3.39Å; V214-H221 HydrophobicContact CG2-CB 3.67Å; V214-L263 HydrophobicContact CB-CD1 4.49Å; V214-L263 HydrophobicContact CG2-CD1 4.06Å; V214-N266 HydrophobicContact CG1-CB 3.48Å; V214-N266 VanDerWaalsContact CG1-CB 3.48Å; V214-Y267 HydrophobicContact CG1-CD2 4.45Å; V214-Y267 HydrophobicContact CG1-CE2 3.56Å; V214-Y267 WeakPolarHBondContact CG1-OH 3.48Å; V214-Y267 HydrophobicContact CG2-CE2 4.08Å; V214-Y267 WeakPolarHBondContact CG2-OH 3.47Å
215K87.8Confident91.8Very high116 Ų11637.4 Ų37.450%0.50420%0.196SC..THydrogen-bonded Turntrans-61.7-21.4177.7-78.2170.3177.41580114.3D211 L213 N266D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.96Å; D211-K215 IonicContact OD1-NZ 2.62Å; D211-K215 IonicContact OD2-NZ 2.99Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å; L213-K215 VanDerWaalsContact C-N 3.35Å; L213-K215 PolarHBondContact O-N 3.02Å; K215-N266 WeakPolarHBondContact CE-OD1 3.38Å
216R83.7Confident91.7Very high107 Ų10739.8 Ų39.840%0.40421%0.213SC..THydrogen-bonded Turntrans-91.2-43.8177.5-173.6172.5178.3-179-5.7112.4P179 Y184 L213 V214P179-R216 VanDerWaalsContact C-NH1 3.27Å; P179-R216 PolarHBondContact O-NH1 2.87Å; P179-R216 PolarHBondContact O-NH2 2.7Å; Y184-R216 VanDerWaalsContact OH-CD 3.3Å; Y184-R216 WeakPolarHBondContact OH-CD 3.24Å; Y184-R216 VanDerWaalsContact OH-CZ 3.31Å; Y184-R216 PolarHBondContact OH-NH1 2.63Å; L213-R216 PolarHBondContact O-N 2.56Å; L213-R216 VanDerWaalsContact O-N 3.11Å; V214-R216 PolarHBondContact O-N 3.43Å; V214-R216 VanDerWaalsContact O-N 3.14Å
217S85.5Confident91.6Very high28 Ų2841 Ų4120%0.19622%0.219CC..  trans-136.681.5179.4-57.20000110L213 V214 E219 E220 H221L213-S217 PolarHBondContact O-N 3.19Å; V214-S217 CarbonylContact O-C 3.58Å; V214-S217 PolarHBondContact O-N 2.78Å; S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 3.47Å; S217-E220 WeakPolarHBondContact CB-OE2 3.32Å; S217-E220 PolarHBondContact O-N 2.99Å; S217-E220 PolarHBondContact OG-OE2 3.05Å; S217-E220 VanDerWaalsContact OG-OE2 3.11Å; S217-H221 PolarHBondContact O-N 3.31Å; S217-H221 PolarHBondContact O-ND1 3.42Å
218P86.2Confident91.6Very high54 Ų5440.9 Ų40.935%0.35122%0.218SC..THydrogen-bonded Turntrans-58.7-42.9-177.3-23.931.4000112.2V214 E220 H221 K222 Y267V214-P218 VanDerWaalsContact O-CA 3.26Å; V214-P218 WeakPolarHBondContact O-CA 3.13Å; V214-P218 WeakPolarHBondContact O-CD 3.42Å; V214-P218 VanDerWaalsContact O-CG 3.24Å; V214-P218 WeakPolarHBondContact O-CG 3.39Å; P218-E220 PolarHBondContact O-N 3.41Å; P218-H221 PolarHBondContact O-N 3.25Å; P218-K222 PolarHBondContact O-N 3.07Å; P218-Y267 HydrophobicContact CB-CE1 4.24Å; P218-Y267 VanDerWaalsContact O-CE1 3.23Å; P218-Y267 WeakPolarHBondContact O-CE1 3.38Å; P218-Y267 PolarHBondContact O-OH 3.1Å
219E84.9Confident91.6Very high130 Ų13040.2 Ų40.261%0.60721%0.213SC*.THydrogen-bonded Turntrans-60.4-46.8-177.1-66-58.8124.900113.1S217 H221 K222S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 3.47Å; E219-H221 PolarHBondContact O-N 3.26Å; E219-K222 WeakPolarHBondContact O-CG 3.37Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-K222 WeakPolarHBondContact OE1-CE 3.14Å; E219-K222 IonicContact OE1-NZ 3.24Å; E219-K222 PolarHBondContact OE1-NZ 3.15Å; E219-K222 WeakPolarHBondContact OE2-CE 3.01Å; E219-K222 IonicContact OE2-NZ 2.79Å; E219-K222 PolarHBondContact OE2-NZ 2.63Å
220E85Confident91.6Very high127 Ų12742.1 Ų42.159%0.59323%0.227SC*.THydrogen-bonded Turntrans-65.8-28.2-178.3-64.8177.8162.100112.6S217 P218S217-E220 WeakPolarHBondContact CB-OE2 3.32Å; S217-E220 PolarHBondContact O-N 2.99Å; S217-E220 PolarHBondContact OG-OE2 3.05Å; S217-E220 VanDerWaalsContact OG-OE2 3.11Å; P218-E220 PolarHBondContact O-N 3.41Å
221H89Confident91.6Very high2 Ų242.2 Ų42.21%0.00923%0.227CC..THydrogen-bonded Turntrans-103.48-173.6-59.393.8000113.5M192 V214 S217 P218 E219 G223 C224 Y267M192-H221 HydrophobicContact SD-CB 4.07Å; V214-H221 HydrophobicContact CG2-CB 3.67Å; S217-H221 PolarHBondContact O-N 3.31Å; S217-H221 PolarHBondContact O-ND1 3.42Å; P218-H221 PolarHBondContact O-N 3.25Å; E219-H221 PolarHBondContact O-N 3.26Å; H221-G223 PolarHBondContact O-N 3.47Å; H221-C224 PolarHBondContact O-N 3.16Å; H221-C224 PolarHBondContact O-SG 3.42Å; H221-Y267 PolarHBondContact O-OH 2.66Å
222K89.1Confident91.6Very high80 Ų8040.9 Ų40.935%0.34822%0.22SC..THydrogen-bonded Turntrans-50.9-29.2178.5-82.4-179.9170.1176.10113.8P218 E219 C224 V225 Y267P218-K222 PolarHBondContact O-N 3.07Å; E219-K222 WeakPolarHBondContact O-CG 3.37Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-K222 WeakPolarHBondContact OE1-CE 3.14Å; E219-K222 IonicContact OE1-NZ 3.24Å; E219-K222 PolarHBondContact OE1-NZ 3.15Å; E219-K222 WeakPolarHBondContact OE2-CE 3.01Å; E219-K222 IonicContact OE2-NZ 2.79Å; E219-K222 PolarHBondContact OE2-NZ 2.63Å; K222-C224 PolarHBondContact O-N 3.27Å; K222-C224 VanDerWaalsContact O-N 3.09Å; K222-V225 WeakPolarHBondContact O-CB 3.45Å; K222-V225 WeakPolarHBondContact O-CG2 3.43Å; K222-V225 PolarHBondContact O-N 3.2Å; K222-V225 VanDerWaalsContact O-N 3.13Å; K222-Y267 HydrophobicContact CB-CE1 4.29Å; K222-Y267 HydrophobicContact CG-CD1 4.07Å; K222-Y267 HydrophobicContact CG-CE1 3.46Å; K222-Y267 VanDerWaalsContact CG-CE1 3.46Å; K222-Y267 PolarHBondContact N-OH 2.58Å
223G88.4Confident91.9Very high48 Ų4841.3 Ų41.350%0.49522%0.222SC..THydrogen-bonded Turntrans-57.3-2117600000114.7H221 V225H221-G223 PolarHBondContact O-N 3.47Å; G223-V225 VanDerWaalsContact C-N 3.29Å; G223-V225 PolarHBondContact O-N 3.43Å
224C94.6Very high92Very high1 Ų146 Ų461%0.00724%0.24CC..Hα-helixtrans-70.5-22.1177.875.70000113.6M192 L195 I210 H221 K222 L227 A228M192-C224 HydrophobicContact CB-CB 4.48Å; M192-C224 HydrophobicContact CG-CB 4.12Å; M192-C224 HydrophobicContact SD-CB 3.83Å; L195-C224 HydrophobicContact CD1-CB 3.98Å; I210-C224 HydrophobicContact CG2-CB 3.99Å; H221-C224 PolarHBondContact O-N 3.16Å; H221-C224 PolarHBondContact O-SG 3.42Å; K222-C224 PolarHBondContact O-N 3.27Å; K222-C224 VanDerWaalsContact O-N 3.09Å; C224-L227 PolarHBondContact O-N 3.08Å; C224-A228 VanDerWaalsContact O-CB 3.3Å; C224-A228 WeakPolarHBondContact O-CB 3.5Å; C224-A228 PolarHBondContact O-N 3.27Å
225V95.5Very high92.1Very high18 Ų1846.1 Ų46.111%0.10924%0.24CC..Hα-helixtrans-60.9-53.1-173.9175.40000111.4K222 G223 L227 A228 V229 L264 Y267 P270K222-V225 WeakPolarHBondContact O-CB 3.45Å; K222-V225 WeakPolarHBondContact O-CG2 3.43Å; K222-V225 PolarHBondContact O-N 3.2Å; K222-V225 VanDerWaalsContact O-N 3.13Å; G223-V225 VanDerWaalsContact C-N 3.29Å; G223-V225 PolarHBondContact O-N 3.43Å; V225-L227 VanDerWaalsContact C-N 3.3Å; V225-L227 PolarHBondContact O-N 2.87Å; V225-A228 PolarHBondContact O-N 3.47Å; V225-V229 WeakPolarHBondContact O-CG2 3.23Å; V225-V229 PolarHBondContact O-N 3.36Å; V225-L264 HydrophobicContact CG1-CD2 4.03Å; V225-Y267 HydrophobicContact CG2-CD1 4.21Å; V225-Y267 HydrophobicContact CG2-CD2 3.42Å; V225-Y267 VanDerWaalsContact CG2-CD2 3.42Å; V225-Y267 HydrophobicContact CG2-CE2 3.78Å; V225-Y267 HydrophobicContact CG2-CG 3.65Å; V225-P270 HydrophobicContact CG1-CB 4.39Å; V225-P270 HydrophobicContact CG1-CG 3.98Å
226S95.4Very high92.4Very high58 Ų5841 Ų4141%0.40622%0.218SC..Hα-helixtrans-60.5-40.4179.9-177.80000112.1S230S226-S230 WeakPolarHBondContact O-CB 3.43Å; S226-S230 PolarHBondContact O-N 2.96Å
227L96.6Very high92.7Very high26 Ų2640.9 Ų40.914%0.13623%0.229CC..Hα-helixtrans-66.2-42.7177.5-58177.2000111.8M192 L195 N196 C224 V225 S230 R231M192-L227 HydrophobicContact CB-CD1 4.36Å; M192-L227 WeakPolarHBondContact O-CD1 3.36Å; L195-L227 HydrophobicContact CB-CB 3.9Å; L195-L227 HydrophobicContact CD1-CB 3.85Å; N196-L227 VanDerWaalsContact ND2-CD2 3.32Å; N196-L227 WeakPolarHBondContact ND2-CD2 3.42Å; C224-L227 PolarHBondContact O-N 3.08Å; V225-L227 VanDerWaalsContact C-N 3.3Å; V225-L227 PolarHBondContact O-N 2.87Å; L227-S230 PolarHBondContact O-N 2.88Å; L227-R231 WeakPolarHBondContact O-CB 3.34Å; L227-R231 PolarHBondContact O-N 3.32Å
228A97.8Very high93Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-64.5-44.3177.800000111.7L195 C224 V225 R231 L232 L260 L263 L264L195-A228 HydrophobicContact CD1-CB 4.27Å; C224-A228 VanDerWaalsContact O-CB 3.3Å; C224-A228 WeakPolarHBondContact O-CB 3.5Å; C224-A228 PolarHBondContact O-N 3.27Å; V225-A228 PolarHBondContact O-N 3.47Å; A228-R231 PolarHBondContact O-N 3.32Å; A228-L232 VanDerWaalsContact O-CB 3.3Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 PolarHBondContact O-N 3.02Å; A228-L260 HydrophobicContact CB-CD2 3.98Å; A228-L263 HydrophobicContact CB-CD2 4.2Å; A228-L264 HydrophobicContact CB-CD2 4.02Å; A228-L264 HydrophobicContact CB-CG 4.39Å
229V97.6Very high93.1Very high1 Ų140.3 Ų40.31%0.00623%0.227CC..Hα-helixtrans-63.4-44.6175.6174.70000111.1V225 R231 L232 S233 L264 V275 R278 L279V225-V229 WeakPolarHBondContact O-CG2 3.23Å; V225-V229 PolarHBondContact O-N 3.36Å; V229-R231 PolarHBondContact O-N 2.82Å; V229-L232 PolarHBondContact O-N 2.93Å; V229-S233 WeakPolarHBondContact O-CB 3.49Å; V229-S233 PolarHBondContact O-N 3.11Å; V229-L264 HydrophobicContact CG2-CD1 4.12Å; V229-L264 HydrophobicContact CG2-CD2 3.89Å; V229-V275 HydrophobicContact CB-CG1 4.04Å; V229-V275 HydrophobicContact CG1-CG1 4.2Å; V229-V275 HydrophobicContact CG2-CG1 3.84Å; V229-R278 HydrophobicContact CG1-CB 4.12Å; V229-R278 HydrophobicContact CG1-CG 3.98Å; V229-L279 HydrophobicContact CG1-CB 3.93Å; V229-L279 HydrophobicContact CG2-CB 4.11Å; V229-L279 HydrophobicContact CG2-CD1 4.27Å; V229-L279 HydrophobicContact CG2-CD2 4.27Å; V229-L279 HydrophobicContact CG2-CG 4.45Å
230S96.4Very high92.9Very high41 Ų4138.5 Ų38.529%0.28722%0.215SC..Hα-helixtrans-60.4-45176.7-178.10000111.9S226 L227 S233 R234S226-S230 WeakPolarHBondContact O-CB 3.43Å; S226-S230 PolarHBondContact O-N 2.96Å; L227-S230 PolarHBondContact O-N 2.88Å; S230-S233 PolarHBondContact O-N 2.68Å; S230-R234 PolarHBondContact O-N 3.05Å
231R97Very high92.9Very high3 Ų336 Ų361%0.01121%0.209CC..Hα-helixtrans-63.6-45.8176.2179.258.761.215710.7111.7L195 N196 D197 V203 L227 A228 V229 S233 R234 L235 L260L195-R231 PolarHBondContact O-NE 3.5Å; L195-R231 PolarHBondContact O-NH2 2.84Å; N196-R231 PolarHBondContact O-NH2 2.82Å; N196-R231 VanDerWaalsContact O-NH2 3.15Å; D197-R231 VanDerWaalsContact N-NH2 3.19Å; D197-R231 VanDerWaalsContact O-CZ 3.31Å; D197-R231 PolarHBondContact O-NH1 3.37Å; D197-R231 VanDerWaalsContact O-NH1 3.12Å; D197-R231 PolarHBondContact O-NH2 3.28Å; V203-R231 HydrophobicContact CG1-CG 4.21Å; L227-R231 WeakPolarHBondContact O-CB 3.34Å; L227-R231 PolarHBondContact O-N 3.32Å; A228-R231 PolarHBondContact O-N 3.32Å; V229-R231 PolarHBondContact O-N 2.82Å; R231-S233 PolarHBondContact O-N 2.87Å; R231-R234 PolarHBondContact O-N 3.49Å; R231-L235 HydrophobicContact CG-CD1 4.2Å; R231-L235 WeakPolarHBondContact O-CG 3.37Å; R231-L235 PolarHBondContact O-N 3.32Å; R231-L235 VanDerWaalsContact O-N 3.11Å; R231-L260 HydrophobicContact CB-CD1 4.18Å; R231-L260 HydrophobicContact CG-CD1 3.67Å
232L97.8Very high92.7Very high0 Ų041.1 Ų41.10%024%0.236CC..Hα-helixtrans-58.5-48.8178.5-179.264.9000110.7A228 V229 R234 L235 I236 L260 L261 L264 L279 C282A228-L232 VanDerWaalsContact O-CB 3.3Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 PolarHBondContact O-N 3.02Å; V229-L232 PolarHBondContact O-N 2.93Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 2.8Å; L232-L235 PolarHBondContact O-N 3.25Å; L232-I236 HydrophobicContact CD1-CG2 4.06Å; L232-I236 HydrophobicContact CG-CG2 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.36Å; L232-I236 PolarHBondContact O-N 2.99Å; L232-L260 HydrophobicContact CB-CD1 4.29Å; L232-L261 HydrophobicContact CD1-CG 4.35Å; L232-L261 HydrophobicContact CD2-CD2 3.65Å; L232-L261 HydrophobicContact CD2-CG 4.23Å; L232-L264 HydrophobicContact CD2-CD1 4.32Å; L232-L279 HydrophobicContact CD2-CD1 4.29Å; L232-C282 HydrophobicContact CD2-CB 4.28Å
233S97Very high92.6Very high27 Ų2739.1 Ų39.119%0.18923%0.229CC..Hα-helixtrans-53.2-45.5178.5179.20000112.8V229 S230 R231 I236 T237 C282V229-S233 WeakPolarHBondContact O-CB 3.49Å; V229-S233 PolarHBondContact O-N 3.11Å; S230-S233 PolarHBondContact O-N 2.68Å; R231-S233 PolarHBondContact O-N 2.87Å; S233-I236 WeakPolarHBondContact O-CG1 3.19Å; S233-T237 WeakPolarHBondContact O-CB 3.47Å; S233-T237 PolarHBondContact O-N 3.07Å; S233-T237 PolarHBondContact O-OG1 3.47Å; S233-C282 WeakPolarHBondContact CA-SG 3.43Å; S233-C282 WeakPolarHBondContact CB-SG 3.34Å
234R94.9Very high92.4Very high100 Ų10043.5 Ų43.538%0.37724%0.236SC..Hα-helixtrans-63.5-46.4175.9-176.2-148.8-145.2140.8175.8111.9S230 R231 L232 I236 T237 S238S230-R234 PolarHBondContact O-N 3.05Å; R231-R234 PolarHBondContact O-N 3.49Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 2.8Å; R234-I236 PolarHBondContact O-N 2.87Å; R234-T237 PolarHBondContact O-N 3.35Å; R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.7Å; R234-S238 PolarHBondContact O-OG 3.23Å
235L94.7Very high92.1Very high1 Ų150.9 Ų50.91%0.00528%0.276CS..Hα-helixtrans-63.5-40.2-178-68.8174.6000113L200 R231 L232 T237 L243 T252 A253 L256 L260L200-L235 HydrophobicContact CD1-CD2 4.15Å; L200-L235 HydrophobicContact CD2-CD2 4.15Å; R231-L235 HydrophobicContact CG-CD1 4.2Å; R231-L235 WeakPolarHBondContact O-CG 3.37Å; R231-L235 PolarHBondContact O-N 3.32Å; R231-L235 VanDerWaalsContact O-N 3.11Å; L232-L235 PolarHBondContact O-N 3.25Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-L243 HydrophobicContact CD2-CD1 3.93Å; L235-T252 PolarHBondContact O-OG1 2.82Å; L235-A253 HydrophobicContact CD2-CB 4.05Å; L235-L256 HydrophobicContact CD1-CB 4.34Å; L235-L256 HydrophobicContact CD1-CD2 3.63Å; L235-L256 HydrophobicContact CD1-CG 3.69Å; L235-L256 HydrophobicContact CD2-CD2 4.38Å; L235-L260 HydrophobicContact CD1-CD1 3.73Å
236I92.5Very high92Very high9 Ų953.8 Ų53.85%0.04629%0.285CS..Hα-helixtrans-75.6-24.2-179.864.5169.4000112.3L232 S233 R234 C282 T285 I286 K289L232-I236 HydrophobicContact CD1-CG2 4.06Å; L232-I236 HydrophobicContact CG-CG2 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.36Å; L232-I236 PolarHBondContact O-N 2.99Å; S233-I236 WeakPolarHBondContact O-CG1 3.19Å; R234-I236 PolarHBondContact O-N 2.87Å; I236-C282 HydrophobicContact CD1-CB 3.42Å; I236-C282 VanDerWaalsContact CD1-CB 3.42Å; I236-C282 VanDerWaalsContact CD1-SG 3.51Å; I236-T285 HydrophobicContact CD1-CG2 4.2Å; I236-I286 HydrophobicContact CG2-CD1 4.14Å; I236-I286 HydrophobicContact CG2-CG1 3.99Å; I236-K289 VanDerWaalsContact O-CE 3.32Å; I236-K289 WeakPolarHBondContact O-CE 3.28Å; I236-K289 PolarHBondContact O-NZ 2.87Å
237T91.4Very high91.9Very high104 Ų10452.7 Ų52.764%0.63828%0.276SS*.Hα-helixtrans-92.2-24.4-180-56.90000111.6S233 R234 L235S233-T237 WeakPolarHBondContact O-CB 3.47Å; S233-T237 PolarHBondContact O-N 3.07Å; S233-T237 PolarHBondContact O-OG1 3.47Å; R234-T237 PolarHBondContact O-N 3.35Å; L235-T237 VanDerWaalsContact C-N 3.34Å
238S91.5Very high91.8Very high27 Ų2755.3 Ų55.319%0.18929%0.285CS..SBendtrans-57.1145.4175.2-69.90000113R234R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.7Å; R234-S238 PolarHBondContact O-OG 3.23Å
239S87.4Confident91.6Very high43 Ų4358.8 Ų58.830%0.30130%0.299SS..  trans-77.9156.6169.477.80000110.4T241 D242S239-T241 PolarHBondContact O-N 3.5Å; S239-T241 PolarHBondContact OG-N 3.03Å; S239-T241 PolarHBondContact OG-OG1 3.26Å; S239-D242 WeakPolarHBondContact CB-OD2 3.46Å; S239-D242 PolarHBondContact N-OD2 3.45Å; S239-D242 VanDerWaalsContact N-OD2 3.13Å; S239-D242 PolarHBondContact O-N 3.13Å; S239-D242 PolarHBondContact OG-N 3Å; S239-D242 PolarHBondContact OG-OD1 2.92Å; S239-D242 PolarHBondContact OG-OD2 3.45Å
240Y81.7Confident91.3Very high92 Ų9262.9 Ų62.936%0.36132%0.316SS..THydrogen-bonded Turntrans-68.2-15.3175.766.5-95.9000112.8T247 F250 K295Y240-T247 PolarHBondContact O-OG1 2.93Å; Y240-F250 HydrophobicContact CD1-CD1 4.42Å; Y240-F250 AromaticContact CD2-CD1 3.92Å; Y240-F250 HydrophobicContact CD2-CD1 3.92Å; Y240-F250 HydrophobicContact CE1-CD1 4.44Å; Y240-F250 AromaticContact CE2-CD1 3.95Å; Y240-F250 HydrophobicContact CE2-CD1 3.95Å; Y240-F250 HydrophobicContact CE2-CE1 4.2Å; Y240-F250 HydrophobicContact CG-CD1 4.17Å; Y240-K295 HydrophobicContact CE1-CD 4.45Å
241T84.3Confident91.2Very high75 Ų7561.9 Ų61.946%0.4631%0.309SS..THydrogen-bonded Turntrans-80.8-22.8175.542.10000113.2S239 Q244S239-T241 PolarHBondContact O-N 3.5Å; S239-T241 PolarHBondContact OG-N 3.03Å; S239-T241 PolarHBondContact OG-OG1 3.26Å; T241-Q244 VanDerWaalsContact O-CG 3.23Å; T241-Q244 WeakPolarHBondContact O-CG 3.4Å; T241-Q244 PolarHBondContact O-NE2 2.86Å
242D85.9Confident91Very high110 Ų11062.4 Ų62.459%0.58831%0.312SS*.THydrogen-bonded Turntrans-80.4-28179.9-55.4-35.9000112.1S239S239-D242 WeakPolarHBondContact CB-OD2 3.46Å; S239-D242 PolarHBondContact N-OD2 3.45Å; S239-D242 VanDerWaalsContact N-OD2 3.13Å; S239-D242 PolarHBondContact O-N 3.13Å; S239-D242 PolarHBondContact OG-N 3Å; S239-D242 PolarHBondContact OG-OD1 2.92Å; S239-D242 PolarHBondContact OG-OD2 3.45Å
243L87.1Confident90.9Very high37 Ų3762.6 Ų62.619%0.19431%0.314CS..SBendtrans-120.947.9-174-63.6176.7000111.5L200 L235 D245 Y246 T247 T252L200-L243 HydrophobicContact CD1-CD1 4.23Å; L200-L243 HydrophobicContact CD1-CD2 3.87Å; L235-L243 HydrophobicContact CD2-CD1 3.93Å; L243-D245 PolarHBondContact O-N 2.95Å; L243-Y246 CarbonylContact O-C 3.6Å; L243-Y246 PolarHBondContact O-N 2.82Å; L243-T247 WeakPolarHBondContact O-CB 3.29Å; L243-T247 PolarHBondContact O-N 2.82Å; L243-T247 PolarHBondContact O-OG1 2.85Å; L243-T252 HydrophobicContact CD1-CG2 4.44Å
244Q84.1Confident90.8Very high140 Ų14061.6 Ų61.665%0.65431%0.307SS*.G310 helixtrans-55.1-47.4-170.1-60.5-174.72.900112.9T241 Y246 T247T241-Q244 VanDerWaalsContact O-CG 3.23Å; T241-Q244 WeakPolarHBondContact O-CG 3.4Å; T241-Q244 PolarHBondContact O-NE2 2.86Å; Q244-Y246 PolarHBondContact O-N 3.33Å; Q244-Y246 VanDerWaalsContact O-N 3.17Å; Q244-T247 PolarHBondContact O-N 2.82Å
245D88.6Confident90.9Very high157 Ų15764.3 Ų64.384%0.8432%0.317SS*.G310 helixtrans-65.1-20.4-178.1-65.3-27.9000113.8L243L243-D245 PolarHBondContact O-N 2.95Å
246Y92.8Very high91.1Very high78 Ų7864.4 Ų64.431%0.30632%0.318SS..G310 helixtrans-114.25.8-179.4-67.8-91.6000112.8H199 L200 G201 L243 Q244 A253H199-Y246 PolarHBondContact CE1-OH 2.68Å; H199-Y246 PolarHBondContact ND1-OH 2.71Å; L200-Y246 HydrophobicContact CB-CD1 3.82Å; L200-Y246 HydrophobicContact CB-CD2 4.08Å; L200-Y246 HydrophobicContact CB-CE1 3.69Å; L200-Y246 HydrophobicContact CB-CE2 3.97Å; L200-Y246 HydrophobicContact CB-CG 4.01Å; L200-Y246 HydrophobicContact CD1-CD1 4.31Å; L200-Y246 HydrophobicContact CD1-CD2 3.95Å; L200-Y246 HydrophobicContact CD1-CG 3.79Å; L200-Y246 HydrophobicContact CG-CD2 4.39Å; L200-Y246 HydrophobicContact CG-CG 4.47Å; G201-Y246 PolarHBondContact N-OH 2.93Å; L243-Y246 CarbonylContact O-C 3.6Å; L243-Y246 PolarHBondContact O-N 2.82Å; Q244-Y246 PolarHBondContact O-N 3.33Å; Q244-Y246 VanDerWaalsContact O-N 3.17Å; Y246-A253 VanDerWaalsContact O-CA 3.25Å; Y246-A253 WeakPolarHBondContact O-CA 3.47Å; Y246-A253 PolarHBondContact O-N 2.89Å
247T93.9Very high91.3Very high35 Ų3564.1 Ų64.122%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-86.8121.8176.1-70.10000109.1Y240 L243 Q244 V251Y240-T247 PolarHBondContact O-OG1 2.93Å; L243-T247 WeakPolarHBondContact O-CB 3.29Å; L243-T247 PolarHBondContact O-N 2.82Å; L243-T247 PolarHBondContact O-OG1 2.85Å; Q244-T247 PolarHBondContact O-N 2.82Å; T247-V251 WeakPolarHBondContact CA-O 3.42Å
248Y94.2Very high91.7Very high82 Ų8261 Ų6132%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-111112.6174.6-177.3-102.2000109.5F250 V251 W255 Q300 A304Y248-F250 VanDerWaalsContact C-N 3.34Å; Y248-F250 PolarHBondContact O-N 3.29Å; Y248-V251 PolarHBondContact N-O 3.43Å; Y248-V251 WeakPolarHBondContact O-CB 3.45Å; Y248-V251 PolarHBondContact O-N 3.42Å; Y248-W255 AromaticContact CD1-CH2 3.95Å; Y248-W255 HydrophobicContact CD1-CH2 3.95Å; Y248-W255 AromaticContact CD2-CH2 3.63Å; Y248-W255 HydrophobicContact CD2-CH2 3.63Å; Y248-W255 HydrophobicContact CD2-CZ3 4.24Å; Y248-W255 HydrophobicContact CE1-CH2 4.4Å; Y248-W255 HydrophobicContact CE2-CH2 4.1Å; Y248-W255 AromaticContact CG-CH2 3.53Å; Y248-W255 HydrophobicContact CG-CH2 3.53Å; Y248-W255 AromaticContact CG-CZ3 3.92Å; Y248-W255 HydrophobicContact CG-CZ3 3.92Å; Y248-Q300 HydrophobicContact CE1-CB 3.95Å; Y248-Q300 WeakPolarHBondContact OH-CG 3.39Å; Y248-A304 HydrophobicContact CD1-CB 3.91Å; Y248-A304 HydrophobicContact CE1-CB 4.31Å
249Y93.3Very high92Very high72 Ų7263.4 Ų63.428%0.28230%0.304SS..THydrogen-bonded Turntrans47.953.7-178.4-71.9-107.7000112.1V251 K298 Q300 H301Y249-V251 PolarHBondContact O-N 3.02Å; Y249-V251 VanDerWaalsContact O-N 3.15Å; Y249-K298 HydrophobicContact CD1-CB 4.12Å; Y249-K298 HydrophobicContact CD1-CD 4.39Å; Y249-K298 HydrophobicContact CE1-CB 3.72Å; Y249-K298 HydrophobicContact CE1-CD 3.53Å; Y249-K298 HydrophobicContact CE1-CG 4.26Å; Y249-Q300 HydrophobicContact CD1-CB 3.8Å; Y249-Q300 HydrophobicContact CD2-CB 3.76Å; Y249-Q300 HydrophobicContact CE1-CB 3.64Å; Y249-Q300 HydrophobicContact CE1-CG 4.15Å; Y249-Q300 HydrophobicContact CE2-CB 3.67Å; Y249-Q300 HydrophobicContact CE2-CG 3.97Å; Y249-Q300 HydrophobicContact CG-CB 3.84Å; Y249-H301 PolarHBondContact O-CE1 2.76Å; Y249-H301 PolarHBondContact O-ND1 3.23Å
250F92Very high92.5Very high87 Ų8761.4 Ų61.438%0.38229%0.29SS..THydrogen-bonded Turntrans64.88.8-179.3-47.4-82.9000116.4Y240 Y248 K295Y240-F250 HydrophobicContact CD1-CD1 4.42Å; Y240-F250 AromaticContact CD2-CD1 3.92Å; Y240-F250 HydrophobicContact CD2-CD1 3.92Å; Y240-F250 HydrophobicContact CE1-CD1 4.44Å; Y240-F250 AromaticContact CE2-CD1 3.95Å; Y240-F250 HydrophobicContact CE2-CD1 3.95Å; Y240-F250 HydrophobicContact CE2-CE1 4.2Å; Y240-F250 HydrophobicContact CG-CD1 4.17Å; Y248-F250 VanDerWaalsContact C-N 3.34Å; Y248-F250 PolarHBondContact O-N 3.29Å; F250-K295 HydrophobicContact CB-CB 4.09Å; F250-K295 HydrophobicContact CB-CD 4.03Å; F250-K295 HydrophobicContact CD2-CB 3.93Å; F250-K295 HydrophobicContact CG-CB 3.94Å; F250-K295 HydrophobicContact CG-CD 4.4Å
251V92.4Very high93.3Very high21 Ų2157 Ų5713%0.12727%0.273CS..EExtended strand (participates in β ladder)trans-102125.6170.5-1730000108.8T247 Y248 Y249 A253 P254 A304 K305T247-V251 WeakPolarHBondContact CA-O 3.42Å; Y248-V251 PolarHBondContact N-O 3.43Å; Y248-V251 WeakPolarHBondContact O-CB 3.45Å; Y248-V251 PolarHBondContact O-N 3.42Å; Y249-V251 PolarHBondContact O-N 3.02Å; Y249-V251 VanDerWaalsContact O-N 3.15Å; V251-A253 PolarHBondContact O-N 2.87Å; V251-P254 HydrophobicContact CG1-CB 3.91Å; V251-P254 HydrophobicContact CG1-CG 4.34Å; V251-A304 HydrophobicContact CB-CB 4.31Å; V251-A304 HydrophobicContact CG2-CB 4.03Å; V251-K305 HydrophobicContact CG2-CB 4.31Å
252T93.2Very high94Very high13 Ų1359 Ų598%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-75.6118.1-177.845.40000110.8L235 L243L235-T252 PolarHBondContact O-OG1 2.82Å; L243-T252 HydrophobicContact CD1-CG2 4.44Å
253A95.5Very high94.5Very high4 Ų453.9 Ų53.93%0.03324%0.244CC..SBendtrans41.253.7173.600000115.2L200 L235 Y246 V251 W255 L256 S257L200-A253 HydrophobicContact CD1-CB 4.3Å; L235-A253 HydrophobicContact CD2-CB 4.05Å; Y246-A253 VanDerWaalsContact O-CA 3.25Å; Y246-A253 WeakPolarHBondContact O-CA 3.47Å; Y246-A253 PolarHBondContact O-N 2.89Å; V251-A253 PolarHBondContact O-N 2.87Å; A253-W255 VanDerWaalsContact C-N 3.34Å; A253-W255 PolarHBondContact O-N 2.88Å; A253-L256 HydrophobicContact CB-CB 4.17Å; A253-L256 PolarHBondContact O-N 3.49Å; A253-S257 PolarHBondContact O-N 2.86Å; A253-S257 PolarHBondContact O-OG 3.16Å
254P96Very high95Very high6 Ų652.4 Ų52.44%0.03924%0.237CC..Hα-helixtrans-59.8-40.3-168.421-31.5000113.4V251 L256 S257 V258 A304 V308V251-P254 HydrophobicContact CG1-CB 3.91Å; V251-P254 HydrophobicContact CG1-CG 4.34Å; P254-L256 VanDerWaalsContact C-N 3.32Å; P254-L256 PolarHBondContact O-N 3.08Å; P254-S257 PolarHBondContact O-N 3.05Å; P254-V258 WeakPolarHBondContact O-CG2 3.39Å; P254-V258 PolarHBondContact O-N 2.98Å; P254-A304 HydrophobicContact CB-CB 4.42Å; P254-A304 HydrophobicContact CG-CB 4.45Å; P254-V308 HydrophobicContact CB-CG2 4Å
255W96.9Very high95.5Very high158 Ų15847.6 Ų47.660%0.59821%0.214SC*.Hα-helixtrans-63.3-37.5177.4-63.9-86000113.1Y248 A253 K259Y248-W255 AromaticContact CD1-CH2 3.95Å; Y248-W255 HydrophobicContact CD1-CH2 3.95Å; Y248-W255 AromaticContact CD2-CH2 3.63Å; Y248-W255 HydrophobicContact CD2-CH2 3.63Å; Y248-W255 HydrophobicContact CD2-CZ3 4.24Å; Y248-W255 HydrophobicContact CE1-CH2 4.4Å; Y248-W255 HydrophobicContact CE2-CH2 4.1Å; Y248-W255 AromaticContact CG-CH2 3.53Å; Y248-W255 HydrophobicContact CG-CH2 3.53Å; Y248-W255 AromaticContact CG-CZ3 3.92Å; Y248-W255 HydrophobicContact CG-CZ3 3.92Å; A253-W255 VanDerWaalsContact C-N 3.34Å; A253-W255 PolarHBondContact O-N 2.88Å; W255-K259 WeakPolarHBondContact O-CB 3.27Å; W255-K259 VanDerWaalsContact O-CG 3.29Å; W255-K259 WeakPolarHBondContact O-CG 3.43Å; W255-K259 PolarHBondContact O-N 3.41Å
256L97.9Very high95.8Very high3 Ų342.4 Ų42.42%0.01619%0.186CC..Hα-helixtrans-70.9-42.8177.7177.256.2000110.5L200 V203 V207 L235 A253 P254 V258 K259 L260L200-L256 HydrophobicContact CB-CD2 4.39Å; L200-L256 HydrophobicContact CD2-CD2 3.98Å; V203-L256 HydrophobicContact CB-CD1 4.45Å; V203-L256 HydrophobicContact CB-CD2 4.22Å; V203-L256 HydrophobicContact CG1-CD1 3.8Å; V203-L256 HydrophobicContact CG1-CD2 3.97Å; V207-L256 HydrophobicContact CG2-CD1 3.98Å; L235-L256 HydrophobicContact CD1-CB 4.34Å; L235-L256 HydrophobicContact CD1-CD2 3.63Å; L235-L256 HydrophobicContact CD1-CG 3.69Å; L235-L256 HydrophobicContact CD2-CD2 4.38Å; A253-L256 HydrophobicContact CB-CB 4.17Å; A253-L256 PolarHBondContact O-N 3.49Å; P254-L256 VanDerWaalsContact C-N 3.32Å; P254-L256 PolarHBondContact O-N 3.08Å; L256-V258 PolarHBondContact O-N 3.04Å; L256-K259 PolarHBondContact O-N 3.03Å; L256-L260 HydrophobicContact CD1-CD1 4.06Å; L256-L260 HydrophobicContact CD1-CG 4.03Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 HydrophobicContact CG-CG 4.43Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.5Å; L256-L260 PolarHBondContact O-N 3.41Å
257S97.9Very high95.8Very high3 Ų339.2 Ų39.22%0.02117%0.174CC..Hα-helixtrans-57.3-47.7175.1-58.80000111.8A253 P254 K259 L260 L261A253-S257 PolarHBondContact O-N 2.86Å; A253-S257 PolarHBondContact O-OG 3.16Å; P254-S257 PolarHBondContact O-N 3.05Å; S257-K259 PolarHBondContact O-N 2.68Å; S257-L260 PolarHBondContact O-N 3.22Å; S257-L261 VanDerWaalsContact O-CG 3.27Å; S257-L261 WeakPolarHBondContact O-CG 3.4Å; S257-L261 PolarHBondContact O-N 3.45Å
258V98.5Very high95.4Very high37 Ų3742.3 Ų42.322%0.22419%0.194CC..Hα-helixtrans-60.1-45.1175.2169.50000111.3P254 L256 L260 L261 R262 V308 E311P254-V258 WeakPolarHBondContact O-CG2 3.39Å; P254-V258 PolarHBondContact O-N 2.98Å; L256-V258 PolarHBondContact O-N 3.04Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 2.64Å; V258-L261 PolarHBondContact O-N 3.43Å; V258-R262 WeakPolarHBondContact O-CB 3.41Å; V258-R262 PolarHBondContact O-N 3.04Å; V258-V308 HydrophobicContact CG2-CG2 4.1Å; V258-E311 HydrophobicContact CB-CG 4.47Å; V258-E311 HydrophobicContact CG1-CB 4.36Å; V258-E311 HydrophobicContact CG1-CG 3.98Å; V258-E311 HydrophobicContact CG2-CB 4.36Å
259K98.4Very high95Very high79 Ų7941.7 Ų41.734%0.34319%0.194SC..Hα-helixtrans-62.5-38.9178.4-80.1178.4172.9-71.10112.9T204 V207 S208 W255 L256 S257 L263T204-K259 HydrophobicContact CG2-CD 4.01Å; V207-K259 HydrophobicContact CB-CB 4.47Å; V207-K259 HydrophobicContact CG1-CB 3.73Å; S208-K259 PolarHBondContact OG-NZ 3.22Å; W255-K259 WeakPolarHBondContact O-CB 3.27Å; W255-K259 VanDerWaalsContact O-CG 3.29Å; W255-K259 WeakPolarHBondContact O-CG 3.43Å; W255-K259 PolarHBondContact O-N 3.41Å; L256-K259 PolarHBondContact O-N 3.03Å; S257-K259 PolarHBondContact O-N 2.68Å; K259-L263 WeakPolarHBondContact O-CB 3.41Å; K259-L263 PolarHBondContact O-N 3.32Å
260L98.6Very high94.7Very high0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-68.4-44.2176.6-70.2166.9000111.5L195 V207 A228 R231 L232 L235 L256 S257 V258 R262 L263 L264L195-L260 HydrophobicContact CD2-CD2 4.28Å; V207-L260 HydrophobicContact CG2-CD2 3.71Å; V207-L260 HydrophobicContact CG2-CG 4.37Å; A228-L260 HydrophobicContact CB-CD2 3.98Å; R231-L260 HydrophobicContact CB-CD1 4.18Å; R231-L260 HydrophobicContact CG-CD1 3.67Å; L232-L260 HydrophobicContact CB-CD1 4.29Å; L235-L260 HydrophobicContact CD1-CD1 3.73Å; L256-L260 HydrophobicContact CD1-CD1 4.06Å; L256-L260 HydrophobicContact CD1-CG 4.03Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 HydrophobicContact CG-CG 4.43Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.5Å; L256-L260 PolarHBondContact O-N 3.41Å; S257-L260 PolarHBondContact O-N 3.22Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 2.64Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.17Å; L260-L263 PolarHBondContact O-N 3.04Å; L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.03Å; L260-L264 PolarHBondContact O-N 3.28Å
261L98.5Very high94.4Very high0 Ų043.4 Ų43.40%021%0.208CC..Hα-helixtrans-61.4-42175.8-70164.8000111.6L232 S257 V258 L264 Q265 L283 I286 V308 E311 A312 L315L232-L261 HydrophobicContact CD1-CG 4.35Å; L232-L261 HydrophobicContact CD2-CD2 3.65Å; L232-L261 HydrophobicContact CD2-CG 4.23Å; S257-L261 VanDerWaalsContact O-CG 3.27Å; S257-L261 WeakPolarHBondContact O-CG 3.4Å; S257-L261 PolarHBondContact O-N 3.45Å; V258-L261 PolarHBondContact O-N 3.43Å; L261-L264 PolarHBondContact O-N 3.08Å; L261-Q265 PolarHBondContact O-N 3.01Å; L261-L283 HydrophobicContact CD2-CD2 4.06Å; L261-I286 HydrophobicContact CD1-CD1 4.3Å; L261-I286 HydrophobicContact CD2-CD1 4.45Å; L261-V308 HydrophobicContact CD1-CG1 4.08Å; L261-E311 HydrophobicContact CB-CB 4.32Å; L261-E311 HydrophobicContact CB-CG 3.58Å; L261-E311 HydrophobicContact CD1-CB 4.07Å; L261-E311 HydrophobicContact CD1-CG 4.23Å; L261-A312 HydrophobicContact CD1-CB 4.02Å; L261-A312 HydrophobicContact CD2-CB 4.25Å; L261-L315 HydrophobicContact CD2-CD2 3.79Å
262R97.4Very high94.2Very high118 Ų11846.6 Ų46.645%0.44522%0.224SC..Hα-helixtrans-64.4-42.8174.9-177.261.660.8133.33112.1V258 L260 L264 Q265 E311V258-R262 WeakPolarHBondContact O-CB 3.41Å; V258-R262 PolarHBondContact O-N 3.04Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.17Å; R262-L264 PolarHBondContact O-N 3.15Å; R262-Q265 WeakPolarHBondContact O-CB 3.32Å; R262-Q265 PolarHBondContact O-N 3.09Å; R262-Q265 VanDerWaalsContact O-N 3.13Å; R262-E311 IonicContact CZ-OE1 2.58Å; R262-E311 VanDerWaalsContact CZ-OE1 3.28Å; R262-E311 IonicContact CZ-OE2 3.49Å; R262-E311 IonicContact NE-OE1 2.7Å; R262-E311 PolarHBondContact NE-OE1 3.31Å; R262-E311 IonicContact NE-OE2 2.8Å; R262-E311 IonicContact NH2-OE1 3.36Å; R262-E311 PolarHBondContact NH2-OE1 3.2Å; R262-E311 IonicContact NH2-OE2 3.54Å; R262-E311 PolarHBondContact NH2-OE2 2.82Å
263L97.4Very high94.1Very high1 Ų150 Ų501%0.00524%0.244CC..Hα-helixtrans-57.8-41.2176.9175.863.9000111.1L195 V207 I210 D211 V214 A228 K259 L260 Q265 N266L195-L263 HydrophobicContact CD1-CD2 4.47Å; V207-L263 HydrophobicContact CG1-CB 4.31Å; V207-L263 HydrophobicContact CG1-CD2 4.24Å; I210-L263 HydrophobicContact CG2-CD1 4.04Å; I210-L263 HydrophobicContact CG2-CD2 4.14Å; D211-L263 HydrophobicContact CB-CD1 4.19Å; V214-L263 HydrophobicContact CB-CD1 4.49Å; V214-L263 HydrophobicContact CG2-CD1 4.06Å; A228-L263 HydrophobicContact CB-CD2 4.2Å; K259-L263 WeakPolarHBondContact O-CB 3.41Å; K259-L263 PolarHBondContact O-N 3.32Å; L260-L263 PolarHBondContact O-N 3.04Å; L263-Q265 VanDerWaalsContact C-N 3.27Å; L263-Q265 PolarHBondContact O-N 3.18Å; L263-N266 WeakPolarHBondContact O-CB 3.26Å; L263-N266 PolarHBondContact O-N 3.32Å; L263-N266 PolarHBondContact O-ND2 3.42Å
264L97.3Very high94.1Very high7 Ų754 Ų544%0.03727%0.269CS..Hα-helixtrans-66.8-23.3179.3-68.4170000113.5V225 A228 V229 L232 L260 L261 R262 N266 Y267 L279 L315V225-L264 HydrophobicContact CG1-CD2 4.03Å; A228-L264 HydrophobicContact CB-CD2 4.02Å; A228-L264 HydrophobicContact CB-CG 4.39Å; V229-L264 HydrophobicContact CG2-CD1 4.12Å; V229-L264 HydrophobicContact CG2-CD2 3.89Å; L232-L264 HydrophobicContact CD2-CD1 4.32Å; L260-L264 VanDerWaalsContact O-CG 3.3Å; L260-L264 WeakPolarHBondContact O-CG 3.03Å; L260-L264 PolarHBondContact O-N 3.28Å; L261-L264 PolarHBondContact O-N 3.08Å; R262-L264 PolarHBondContact O-N 3.15Å; L264-N266 PolarHBondContact O-N 3.43Å; L264-Y267 PolarHBondContact O-N 2.97Å; L264-L279 HydrophobicContact CD1-CD1 3.91Å; L264-L315 HydrophobicContact CB-CD1 3.98Å; L264-L315 HydrophobicContact CB-CD2 3.8Å; L264-L315 HydrophobicContact CD1-CD2 3.91Å
265Q95.4Very high94Very high38 Ų3854.2 Ų54.218%0.17827%0.27CS..THydrogen-bonded Turntrans-72.5-5.4174.6-69.7168.53800113.6L261 R262 L263 E311 L315 H318L261-Q265 PolarHBondContact O-N 3.01Å; R262-Q265 WeakPolarHBondContact O-CB 3.32Å; R262-Q265 PolarHBondContact O-N 3.09Å; R262-Q265 VanDerWaalsContact O-N 3.13Å; L263-Q265 VanDerWaalsContact C-N 3.27Å; L263-Q265 PolarHBondContact O-N 3.18Å; Q265-E311 PolarHBondContact NE2-O 3.31Å; Q265-E311 PolarHBondContact NE2-OE1 2.86Å; Q265-L315 HydrophobicContact CG-CB 4.12Å; Q265-L315 HydrophobicContact CG-CD1 3.75Å; Q265-H318 HydrophobicContact CG-CB 4.45Å; Q265-H318 PolarHBondContact O-NE2 3.07Å; Q265-H318 VanDerWaalsContact O-NE2 3.16Å
266N93.5Very high93.8Very high48 Ų4851.1 Ų51.126%0.25726%0.258SS..THydrogen-bonded Turntrans-82.7-0.8171.5-60.4-80000112.5D211 V214 K215 L263 L264D211-N266 PolarHBondContact OD1-ND2 3.21Å; V214-N266 HydrophobicContact CG1-CB 3.48Å; V214-N266 VanDerWaalsContact CG1-CB 3.48Å; K215-N266 WeakPolarHBondContact CE-OD1 3.38Å; L263-N266 WeakPolarHBondContact O-CB 3.26Å; L263-N266 PolarHBondContact O-N 3.32Å; L263-N266 PolarHBondContact O-ND2 3.42Å; L264-N266 PolarHBondContact O-N 3.43Å
267Y92.6Very high93.6Very high12 Ų1253.9 Ų53.95%0.04728%0.281CS..SBendtrans-130.6147.1-176.7-69.8-75.5000111.3V214 P218 H221 K222 V225 L264 H318V214-Y267 HydrophobicContact CG1-CD2 4.45Å; V214-Y267 HydrophobicContact CG1-CE2 3.56Å; V214-Y267 WeakPolarHBondContact CG1-OH 3.48Å; V214-Y267 HydrophobicContact CG2-CE2 4.08Å; V214-Y267 WeakPolarHBondContact CG2-OH 3.47Å; P218-Y267 HydrophobicContact CB-CE1 4.24Å; P218-Y267 VanDerWaalsContact O-CE1 3.23Å; P218-Y267 WeakPolarHBondContact O-CE1 3.38Å; P218-Y267 PolarHBondContact O-OH 3.1Å; H221-Y267 PolarHBondContact O-OH 2.66Å; K222-Y267 HydrophobicContact CB-CE1 4.29Å; K222-Y267 HydrophobicContact CG-CD1 4.07Å; K222-Y267 HydrophobicContact CG-CE1 3.46Å; K222-Y267 VanDerWaalsContact CG-CE1 3.46Å; K222-Y267 PolarHBondContact N-OH 2.58Å; V225-Y267 HydrophobicContact CG2-CD1 4.21Å; V225-Y267 HydrophobicContact CG2-CD2 3.42Å; V225-Y267 VanDerWaalsContact CG2-CD2 3.42Å; V225-Y267 HydrophobicContact CG2-CE2 3.78Å; V225-Y267 HydrophobicContact CG2-CG 3.65Å; L264-Y267 PolarHBondContact O-N 2.97Å; Y267-H318 PolarHBondContact O-NE2 2.9Å
268P87.2Confident93.5Very high99 Ų9958.4 Ų58.464%0.64330%0.298SS*.  trans-65.7179.1166.832-36000110.5
269Q85.2Confident93.5Very high70 Ų7056.8 Ų56.833%0.32729%0.288SS..SBendtrans-51.4134.7178.1175.6168.36500112.1E271 R276 M319 S321Q269-E271 PolarHBondContact O-N 3.45Å; Q269-R276 HydrophobicContact CG-CG 4.18Å; Q269-M319 HydrophobicContact CB-CE 4.03Å; Q269-M319 HydrophobicContact CG-CE 3.82Å; Q269-S321 PolarHBondContact NE2-OG 2.9Å
270P87.6Confident93.3Very high16 Ų1654.4 Ų54.410%0.10428%0.283CS..  trans-58.6128.6176.8-24.533.2000112.2V225 V275 R276 L279V225-P270 HydrophobicContact CG1-CB 4.39Å; V225-P270 HydrophobicContact CG1-CG 3.98Å; P270-V275 HydrophobicContact CB-CB 4.27Å; P270-V275 HydrophobicContact CB-CG1 3.92Å; P270-V275 HydrophobicContact CG-CG1 4.14Å; P270-R276 HydrophobicContact CB-CB 4.46Å; P270-L279 HydrophobicContact CG-CD2 4.21Å
271E84.1Confident93.2Very high179 Ų17960.3 Ų60.384%0.83631%0.311SS*.SBendtrans-65.4-38.8177.2-63.1177.1-17400111.9Q269 T273Q269-E271 PolarHBondContact O-N 3.45Å; E271-T273 PolarHBondContact O-N 3.12Å; E271-T273 VanDerWaalsContact O-N 3.16Å
272D89.9Confident93.1Very high87 Ų8760.3 Ų60.347%0.46531%0.311SS..SBendtrans-65.5116.3176.7-177.5-11.9000110.4T274 V275 R276D272-T274 PolarHBondContact O-N 2.74Å; D272-T274 WeakPolarHBondContact OD1-CB 3.47Å; D272-T274 PolarHBondContact OD1-N 3.4Å; D272-T274 PolarHBondContact OD1-OG1 2.9Å; D272-V275 HydrophobicContact CB-CB 4.13Å; D272-V275 HydrophobicContact CB-CG2 3.96Å; D272-V275 PolarHBondContact O-N 3.48Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.15Å; D272-R276 WeakPolarHBondContact O-CB 3.46Å; D272-R276 PolarHBondContact O-N 3.46Å
273T91.2Very high93.1Very high84 Ų8454.9 Ų54.952%0.51529%0.29SS..Hα-helixtrans-59.3-32.7-179.4-67.70000112.6E271 R276 A277E271-T273 PolarHBondContact O-N 3.12Å; E271-T273 VanDerWaalsContact O-N 3.16Å; T273-R276 PolarHBondContact OG1-NH2 3.36Å; T273-R276 VanDerWaalsContact OG1-NH2 3.08Å; T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.38Å; T273-A277 PolarHBondContact O-N 3.3Å
274T93.8Very high93.1Very high90 Ų9056.5 Ų56.555%0.55230%0.299SS*.Hα-helixtrans-70.1-44.9177.9-49.70000111.3D272 R278D272-T274 PolarHBondContact O-N 2.74Å; D272-T274 WeakPolarHBondContact OD1-CB 3.47Å; D272-T274 PolarHBondContact OD1-N 3.4Å; D272-T274 PolarHBondContact OD1-OG1 2.9Å; T274-R278 WeakPolarHBondContact O-CB 3.24Å; T274-R278 PolarHBondContact O-N 3.46Å
275V93.8Very high93Very high10 Ų1057.7 Ų57.76%0.06131%0.307CS..Hα-helixtrans-65.8-43178.2177.30000110.1V229 P270 D272 R278 L279V229-V275 HydrophobicContact CB-CG1 4.04Å; V229-V275 HydrophobicContact CG1-CG1 4.2Å; V229-V275 HydrophobicContact CG2-CG1 3.84Å; P270-V275 HydrophobicContact CB-CB 4.27Å; P270-V275 HydrophobicContact CB-CG1 3.92Å; P270-V275 HydrophobicContact CG-CG1 4.14Å; D272-V275 HydrophobicContact CB-CB 4.13Å; D272-V275 HydrophobicContact CB-CG2 3.96Å; D272-V275 PolarHBondContact O-N 3.48Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.15Å; V275-R278 PolarHBondContact O-N 2.89Å; V275-L279 WeakPolarHBondContact O-CB 3.47Å; V275-L279 PolarHBondContact O-N 3.42Å
276R93.5Very high93.1Very high93 Ų9356.3 Ų56.335%0.35130%0.301SS..Hα-helixtrans-60.4-48.3176.1-179.6171.855.4117.8-0.5112.3Q269 P270 D272 T273 R278 L279 A280Q269-R276 HydrophobicContact CG-CG 4.18Å; P270-R276 HydrophobicContact CB-CB 4.46Å; D272-R276 WeakPolarHBondContact O-CB 3.46Å; D272-R276 PolarHBondContact O-N 3.46Å; T273-R276 PolarHBondContact OG1-NH2 3.36Å; T273-R276 VanDerWaalsContact OG1-NH2 3.08Å; R276-R278 VanDerWaalsContact C-N 3.35Å; R276-R278 PolarHBondContact O-N 2.96Å; R276-L279 PolarHBondContact O-N 3.46Å; R276-A280 PolarHBondContact O-N 2.98Å
277A94.3Very high93.2Very high60 Ų6054.1 Ų54.150%0.49629%0.289SS..Hα-helixtrans-61.1-43.7177.200000111.8T273 L279 A280 E281T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.38Å; T273-A277 PolarHBondContact O-N 3.3Å; A277-L279 PolarHBondContact O-N 2.91Å; A277-A280 PolarHBondContact O-N 2.84Å; A277-E281 PolarHBondContact O-N 3.49Å
278R96Very high93.2Very high99 Ų9958.3 Ų58.337%0.37431%0.307SS..Hα-helixtrans-63.3-41.6176.5-174.4177.8-71.4159.9-2.3112V229 T274 V275 R276 E281 C282V229-R278 HydrophobicContact CG1-CB 4.12Å; V229-R278 HydrophobicContact CG1-CG 3.98Å; T274-R278 WeakPolarHBondContact O-CB 3.24Å; T274-R278 PolarHBondContact O-N 3.46Å; V275-R278 PolarHBondContact O-N 2.89Å; R276-R278 VanDerWaalsContact C-N 3.35Å; R276-R278 PolarHBondContact O-N 2.96Å; R278-E281 PolarHBondContact O-N 3.22Å; R278-C282 PolarHBondContact O-N 3.34Å; R278-C282 PolarHBondContact O-SG 2.6Å
279L96.7Very high93.4Very high3 Ų356.7 Ų56.72%0.01629%0.29CS..Hα-helixtrans-64.5-42.8176.3178.156.8000111.4V229 L232 L264 P270 V275 R276 A277 E281 C282 L283 L315 M319V229-L279 HydrophobicContact CG1-CB 3.93Å; V229-L279 HydrophobicContact CG2-CB 4.11Å; V229-L279 HydrophobicContact CG2-CD1 4.27Å; V229-L279 HydrophobicContact CG2-CD2 4.27Å; V229-L279 HydrophobicContact CG2-CG 4.45Å; L232-L279 HydrophobicContact CD2-CD1 4.29Å; L264-L279 HydrophobicContact CD1-CD1 3.91Å; P270-L279 HydrophobicContact CG-CD2 4.21Å; V275-L279 WeakPolarHBondContact O-CB 3.47Å; V275-L279 PolarHBondContact O-N 3.42Å; R276-L279 PolarHBondContact O-N 3.46Å; A277-L279 PolarHBondContact O-N 2.91Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 3.12Å; L279-C282 WeakPolarHBondContact O-CA 3.31Å; L279-C282 VanDerWaalsContact O-CB 3.29Å; L279-C282 WeakPolarHBondContact O-CB 3.27Å; L279-C282 PolarHBondContact O-N 3.25Å; L279-C282 VanDerWaalsContact O-N 3.07Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 3.36Å; L279-L315 HydrophobicContact CD1-CD2 4.19Å; L279-M319 HydrophobicContact CD2-CE 3.91Å; L279-M319 HydrophobicContact CD2-SD 3.74Å
280A95.4Very high93.5Very high29 Ų2954.2 Ų54.224%0.2428%0.28CS..Hα-helixtrans-60.3-43.7175.700000112R276 A277 C282 L283 D284 L325R276-A280 PolarHBondContact O-N 2.98Å; A277-A280 PolarHBondContact O-N 2.84Å; A280-C282 VanDerWaalsContact C-N 3.27Å; A280-C282 PolarHBondContact O-N 2.85Å; A280-L283 PolarHBondContact O-N 2.81Å; A280-D284 WeakPolarHBondContact O-CB 3.29Å; A280-D284 PolarHBondContact O-N 3.12Å; A280-L325 HydrophobicContact CB-CD1 4.21Å
281E96.1Very high93.5Very high123 Ų12358.6 Ų58.658%0.57530%0.299SS*.Hα-helixtrans-60.4-37.8173-174.4-177.6-170.700111.8A277 R278 L279 T285A277-E281 PolarHBondContact O-N 3.49Å; R278-E281 PolarHBondContact O-N 3.22Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 3.12Å; E281-T285 WeakPolarHBondContact O-CB 3.37Å; E281-T285 PolarHBondContact O-N 3.11Å; E281-T285 PolarHBondContact O-OG1 3.37Å
282C97.3Very high93.7Very high1 Ų154.6 Ų54.61%0.00728%0.28CS..Hα-helixtrans-62.8-48.3176.6-67.30000112.2L232 S233 I236 R278 L279 A280 T285 I286L232-C282 HydrophobicContact CD2-CB 4.28Å; S233-C282 WeakPolarHBondContact CA-SG 3.43Å; S233-C282 WeakPolarHBondContact CB-SG 3.34Å; I236-C282 HydrophobicContact CD1-CB 3.42Å; I236-C282 VanDerWaalsContact CD1-CB 3.42Å; I236-C282 VanDerWaalsContact CD1-SG 3.51Å; R278-C282 PolarHBondContact O-N 3.34Å; R278-C282 PolarHBondContact O-SG 2.6Å; L279-C282 WeakPolarHBondContact O-CA 3.31Å; L279-C282 VanDerWaalsContact O-CB 3.29Å; L279-C282 WeakPolarHBondContact O-CB 3.27Å; L279-C282 PolarHBondContact O-N 3.25Å; L279-C282 VanDerWaalsContact O-N 3.07Å; A280-C282 VanDerWaalsContact C-N 3.27Å; A280-C282 PolarHBondContact O-N 2.85Å; C282-T285 PolarHBondContact O-N 2.93Å; C282-I286 WeakPolarHBondContact O-CG1 3.36Å; C282-I286 PolarHBondContact O-N 3.43Å
283L97.6Very high93.5Very high3 Ų354.4 Ų54.42%0.01629%0.291CS..Hα-helixtrans-64.5-43.1179.9-65.5169.8000111.2L261 L279 A280 T285 I286 L287 A312 L315 I316 M319 L325L261-L283 HydrophobicContact CD2-CD2 4.06Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 3.36Å; A280-L283 PolarHBondContact O-N 2.81Å; L283-T285 VanDerWaalsContact C-N 3.33Å; L283-T285 PolarHBondContact O-N 3.31Å; L283-I286 PolarHBondContact O-N 3.46Å; L283-L287 WeakPolarHBondContact O-CG 3.36Å; L283-L287 PolarHBondContact O-N 3.14Å; L283-A312 HydrophobicContact CD2-CB 3.82Å; L283-L315 HydrophobicContact CD2-CD2 4.31Å; L283-I316 HydrophobicContact CB-CD1 4.24Å; L283-I316 HydrophobicContact CB-CG1 4.24Å; L283-I316 HydrophobicContact CD1-CG1 3.83Å; L283-I316 HydrophobicContact CD2-CG1 4.18Å; L283-I316 HydrophobicContact CG-CG1 4.3Å; L283-M319 HydrophobicContact CD1-SD 4.48Å; L283-L325 HydrophobicContact CB-CD1 4.23Å; L283-L325 HydrophobicContact CB-CD2 4.46Å; L283-L325 HydrophobicContact CD1-CD1 4.3Å
284D95.6Very high93.3Very high35 Ų3554.7 Ų54.719%0.18729%0.294CS..Hα-helixtrans-62.2-40174.7-175.163.8000112.1A280 I286 L287 K288 L325 R328A280-D284 WeakPolarHBondContact O-CB 3.29Å; A280-D284 PolarHBondContact O-N 3.12Å; D284-I286 PolarHBondContact O-N 3.26Å; D284-L287 PolarHBondContact O-N 2.92Å; D284-K288 WeakPolarHBondContact O-CG 3.43Å; D284-K288 PolarHBondContact O-N 3.19Å; D284-K288 WeakPolarHBondContact OD2-CE 3.37Å; D284-K288 IonicContact OD2-NZ 3.03Å; D284-K288 PolarHBondContact OD2-NZ 3.47Å; D284-L325 HydrophobicContact CB-CD2 4.13Å; D284-R328 IonicContact OD1-CZ 2.8Å; D284-R328 IonicContact OD1-NE 3.99Å; D284-R328 IonicContact OD1-NH1 3.72Å; D284-R328 PolarHBondContact OD1-NH1 3.12Å
285T96Very high93Very high32 Ų3255.7 Ų55.720%0.19629%0.291CS..Hα-helixtrans-63.8-40.9175.8-610000111.8I236 E281 C282 L283 K288 K289I236-T285 HydrophobicContact CD1-CG2 4.2Å; E281-T285 WeakPolarHBondContact O-CB 3.37Å; E281-T285 PolarHBondContact O-N 3.11Å; E281-T285 PolarHBondContact O-OG1 3.37Å; C282-T285 PolarHBondContact O-N 2.93Å; L283-T285 VanDerWaalsContact C-N 3.33Å; L283-T285 PolarHBondContact O-N 3.31Å; T285-K288 PolarHBondContact O-N 2.64Å; T285-K289 HydrophobicContact CG2-CD 4.44Å; T285-K289 WeakPolarHBondContact O-CB 3.47Å; T285-K289 WeakPolarHBondContact O-CG 3.32Å; T285-K289 PolarHBondContact O-N 3.46Å
286I96.9Very high92.9Very high10 Ų1056.4 Ų56.45%0.05130%0.296CS..Hα-helixtrans-62.9-44.9175.1-67.2166.6000110.6I236 L261 C282 L283 D284 K288 K289 V290 V308 L309 A312I236-I286 HydrophobicContact CG2-CD1 4.14Å; I236-I286 HydrophobicContact CG2-CG1 3.99Å; L261-I286 HydrophobicContact CD1-CD1 4.3Å; L261-I286 HydrophobicContact CD2-CD1 4.45Å; C282-I286 WeakPolarHBondContact O-CG1 3.36Å; C282-I286 PolarHBondContact O-N 3.43Å; L283-I286 PolarHBondContact O-N 3.46Å; D284-I286 PolarHBondContact O-N 3.26Å; I286-K288 VanDerWaalsContact C-N 3.31Å; I286-K288 PolarHBondContact O-N 3.16Å; I286-K289 PolarHBondContact O-N 3.33Å; I286-V290 PolarHBondContact O-N 2.92Å; I286-V308 HydrophobicContact CD1-CG1 4.17Å; I286-V308 HydrophobicContact CG1-CG1 4.44Å; I286-V308 HydrophobicContact CG2-CG1 4.22Å; I286-L309 HydrophobicContact CG2-CD1 4.25Å; I286-A312 HydrophobicContact CB-CB 4.42Å; I286-A312 HydrophobicContact CD1-CB 3.98Å; I286-A312 HydrophobicContact CG2-CB 3.88Å
287L95.5Very high92.6Very high1 Ų162.4 Ų62.41%0.00533%0.325CS..Hα-helixtrans-63-32.9175.6-70.6170000112.7L283 D284 V290 L309 I313 I316 L325 R328L283-L287 WeakPolarHBondContact O-CG 3.36Å; L283-L287 PolarHBondContact O-N 3.14Å; D284-L287 PolarHBondContact O-N 2.92Å; L287-V290 WeakPolarHBondContact O-CG1 3.31Å; L287-L309 HydrophobicContact CD2-CD1 3.75Å; L287-I313 HydrophobicContact CD2-CG1 4.38Å; L287-I316 HydrophobicContact CD1-CD1 3.89Å; L287-I316 HydrophobicContact CG-CD1 4.45Å; L287-L325 HydrophobicContact CD1-CD2 3.95Å; L287-R328 HydrophobicContact CD1-CB 4.25Å; L287-R328 HydrophobicContact CD1-CG 4.1Å
288K93.4Very high92.5Very high101 Ų10165.6 Ų65.644%0.43933%0.328SS..Hα-helixtrans-71.8-45.6173.5-76.2169.4174.6161.10111.7D284 T285 I286 V290 Q291D284-K288 WeakPolarHBondContact O-CG 3.43Å; D284-K288 PolarHBondContact O-N 3.19Å; D284-K288 WeakPolarHBondContact OD2-CE 3.37Å; D284-K288 IonicContact OD2-NZ 3.03Å; D284-K288 PolarHBondContact OD2-NZ 3.47Å; T285-K288 PolarHBondContact O-N 2.64Å; I286-K288 VanDerWaalsContact C-N 3.31Å; I286-K288 PolarHBondContact O-N 3.16Å; K288-V290 PolarHBondContact O-N 3.42Å; K288-Q291 WeakPolarHBondContact O-CB 3.37Å; K288-Q291 PolarHBondContact O-N 3.01Å
289K91.1Very high92.2Very high65 Ų6564 Ų6428%0.28333%0.328SS..Hα-helixtrans-59.6-29.7-178.9-80.1-173.8167.3-164.80113.1I236 T285 I286 Q291 E292 K305I236-K289 VanDerWaalsContact O-CE 3.32Å; I236-K289 WeakPolarHBondContact O-CE 3.28Å; I236-K289 PolarHBondContact O-NZ 2.87Å; T285-K289 HydrophobicContact CG2-CD 4.44Å; T285-K289 WeakPolarHBondContact O-CB 3.47Å; T285-K289 WeakPolarHBondContact O-CG 3.32Å; T285-K289 PolarHBondContact O-N 3.46Å; I286-K289 PolarHBondContact O-N 3.33Å; K289-Q291 PolarHBondContact O-N 3.39Å; K289-E292 PolarHBondContact O-N 2.9Å; K289-K305 WeakPolarHBondContact O-CD 3.19Å; K289-K305 PolarHBondContact O-NZ 3.39Å
290V87.4Confident92Very high18 Ų1866.9 Ų66.911%0.10934%0.342CS..Hα-helixtrans-65.8-29.3176.281.10000112.5I286 L287 K288 E292 K305 L309 Q332 F336I286-V290 PolarHBondContact O-N 2.92Å; L287-V290 WeakPolarHBondContact O-CG1 3.31Å; K288-V290 PolarHBondContact O-N 3.42Å; V290-E292 VanDerWaalsContact C-N 3.34Å; V290-K305 VanDerWaalsContact CA-CE 3.47Å; V290-K305 WeakPolarHBondContact O-CE 3.11Å; V290-K305 PolarHBondContact O-NZ 3.11Å; V290-L309 HydrophobicContact CB-CD1 4.29Å; V290-L309 HydrophobicContact CB-CD2 3.91Å; V290-L309 HydrophobicContact CG1-CD1 4.15Å; V290-L309 HydrophobicContact CG1-CD2 3.99Å; V290-L309 HydrophobicContact CG2-CD2 3.55Å; V290-Q332 VanDerWaalsContact CG1-CD 3.45Å; V290-Q332 HydrophobicContact CG1-CG 3.89Å; V290-F336 HydrophobicContact CG2-CZ 4.43Å
291Q87.4Confident92Very high107 Ų10765.9 Ų65.950%0.533%0.332SS..Hα-helixtrans-80.9-15.7-178.4-58.7178.1-6.500112.9K288 K289 Q332K288-Q291 WeakPolarHBondContact O-CB 3.37Å; K288-Q291 PolarHBondContact O-N 3.01Å; K289-Q291 PolarHBondContact O-N 3.39Å; Q291-Q332 VanDerWaalsContact NE2-OE1 3.16Å
292E88.9Confident91.8Very high95 Ų9562 Ų6244%0.44432%0.318SS..SBendtrans-64.5145.3174.3-65.5176.2-163.300112.2K289 V290 K305K289-E292 PolarHBondContact O-N 2.9Å; V290-E292 VanDerWaalsContact C-N 3.34Å; E292-K305 PolarHBondContact O-NZ 2.92Å
293A86.5Confident91.6Very high83 Ų8365.7 Ų65.769%0.68634%0.337SS*.PPolyproline II helixtrans-55136176.700000111.3K295A293-K295 PolarHBondContact O-N 3.07Å
294P86.5Confident91.5Very high91 Ų9166 Ų6659%0.59134%0.341SS*.PPolyproline II helixtrans-63.9124.9-177.825.8-33.5000110.5S296P294-S296 PolarHBondContact O-N 3.24Å
295K87.9Confident91.4Very high110 Ų11066 Ų6648%0.47834%0.339SS..SBendtrans-73.3-13.8178.3-63.8-176.6-178.6177.80112.7Y240 F250 A293 H301Y240-K295 HydrophobicContact CE1-CD 4.45Å; F250-K295 HydrophobicContact CB-CB 4.09Å; F250-K295 HydrophobicContact CB-CD 4.03Å; F250-K295 HydrophobicContact CD2-CB 3.93Å; F250-K295 HydrophobicContact CG-CB 3.94Å; F250-K295 HydrophobicContact CG-CD 4.4Å; A293-K295 PolarHBondContact O-N 3.07Å; K295-H301 PolarHBondContact N-NE2 2.82Å
296S90.2Very high91.4Very high25 Ų2564.9 Ų64.918%0.17533%0.332CS..  trans-138.8142.3175-168.10000111.1P294 K298P294-S296 PolarHBondContact O-N 3.24Å; S296-K298 VanDerWaalsContact C-N 3.27Å; S296-K298 PolarHBondContact OG-N 3.26Å
297K87Confident91.4Very high220 Ų22066.8 Ų66.896%0.95735%0.349SS*.SBendtrans-78.4-9.8171.7-62.6-175.6179.8-178.60113.2
298K92.6Very high91.5Very high127 Ų12767.4 Ų67.455%0.55235%0.352SS*.SBendtrans-76.2134-179.5-68.9-175.7176.2-179.80109.9Y249 S296 Q300 H301 P302Y249-K298 HydrophobicContact CD1-CB 4.12Å; Y249-K298 HydrophobicContact CD1-CD 4.39Å; Y249-K298 HydrophobicContact CE1-CB 3.72Å; Y249-K298 HydrophobicContact CE1-CD 3.53Å; Y249-K298 HydrophobicContact CE1-CG 4.26Å; S296-K298 VanDerWaalsContact C-N 3.27Å; S296-K298 PolarHBondContact OG-N 3.26Å; K298-Q300 PolarHBondContact O-N 3.37Å; K298-H301 PolarHBondContact O-N 2.99Å; K298-P302 VanDerWaalsContact O-CD 3.26Å; K298-P302 WeakPolarHBondContact O-CD 3.47Å
299V89.9Confident91.7Very high64 Ų6462.6 Ų62.639%0.38833%0.332SS..THydrogen-bonded Turntrans-55-26.1-175.969.30000114.1H301 P302 N303V299-H301 VanDerWaalsContact C-N 3.25Å; V299-H301 PolarHBondContact O-N 3.1Å; V299-P302 WeakPolarHBondContact O-CD 3.47Å; V299-P302 VanDerWaalsContact O-CG 3.28Å; V299-P302 WeakPolarHBondContact O-CG 3.48Å; V299-N303 WeakPolarHBondContact O-CB 3.41Å; V299-N303 VanDerWaalsContact O-CG 3.24Å; V299-N303 PolarHBondContact O-N 2.81Å; V299-N303 VanDerWaalsContact O-N 3.14Å; V299-N303 PolarHBondContact O-OD1 2.94Å
300Q93.2Very high92Very high64 Ų6460.3 Ų60.330%0.29932%0.322SS..Hα-helixtrans-62-32.3177.6-67.474.324.700112.8Y248 Y249 K298 A304Y248-Q300 HydrophobicContact CE1-CB 3.95Å; Y248-Q300 WeakPolarHBondContact OH-CG 3.39Å; Y249-Q300 HydrophobicContact CD1-CB 3.8Å; Y249-Q300 HydrophobicContact CD2-CB 3.76Å; Y249-Q300 HydrophobicContact CE1-CB 3.64Å; Y249-Q300 HydrophobicContact CE1-CG 4.15Å; Y249-Q300 HydrophobicContact CE2-CB 3.67Å; Y249-Q300 HydrophobicContact CE2-CG 3.97Å; Y249-Q300 HydrophobicContact CG-CB 3.84Å; K298-Q300 PolarHBondContact O-N 3.37Å; Q300-A304 WeakPolarHBondContact O-CB 3.39Å; Q300-A304 PolarHBondContact O-N 2.94Å
301H94.2Very high92.5Very high9 Ų960.1 Ų60.14%0.04232%0.32CS..Hα-helixtrans-64.8-58.7178.6178.661.4000112.8Y249 K295 K298 V299 N303 A304 K305Y249-H301 PolarHBondContact O-CE1 2.76Å; Y249-H301 PolarHBondContact O-ND1 3.23Å; K295-H301 PolarHBondContact N-NE2 2.82Å; K298-H301 PolarHBondContact O-N 2.99Å; V299-H301 VanDerWaalsContact C-N 3.25Å; V299-H301 PolarHBondContact O-N 3.1Å; H301-N303 VanDerWaalsContact C-N 3.29Å; H301-N303 PolarHBondContact O-N 3.12Å; H301-A304 PolarHBondContact O-N 3.49Å; H301-K305 PolarHBondContact O-N 3.49Å
302P92.5Very high93Very high41 Ų4155 Ų5527%0.26630%0.296SS..Hα-helixtrans-61.6-36.1176.323.7-32.6000112K298 V299 A304 K305 N306K298-P302 VanDerWaalsContact O-CD 3.26Å; K298-P302 WeakPolarHBondContact O-CD 3.47Å; V299-P302 WeakPolarHBondContact O-CD 3.47Å; V299-P302 VanDerWaalsContact O-CG 3.28Å; V299-P302 WeakPolarHBondContact O-CG 3.48Å; P302-A304 PolarHBondContact O-N 3.44Å; P302-K305 PolarHBondContact O-N 3.33Å; P302-N306 WeakPolarHBondContact O-CB 3.48Å; P302-N306 PolarHBondContact O-N 3.49Å; P302-N306 PolarHBondContact O-ND2 3.28Å
303N93.8Very high93.4Very high79 Ų7950.5 Ų50.542%0.42228%0.275SS..Hα-helixtrans-62.3-45.4177.7-730.7000112.4V299 H301 N306 A307V299-N303 WeakPolarHBondContact O-CB 3.41Å; V299-N303 VanDerWaalsContact O-CG 3.24Å; V299-N303 PolarHBondContact O-N 2.81Å; V299-N303 VanDerWaalsContact O-N 3.14Å; V299-N303 PolarHBondContact O-OD1 2.94Å; H301-N303 VanDerWaalsContact C-N 3.29Å; H301-N303 PolarHBondContact O-N 3.12Å; N303-N306 PolarHBondContact O-N 3.44Å; N303-A307 WeakPolarHBondContact O-CB 3.23Å; N303-A307 PolarHBondContact O-N 3.46Å
304A94.7Very high93.9Very high10 Ų1048.6 Ų48.68%0.08325%0.253CS..Hα-helixtrans-65.3-39.9176.800000111.9Y248 V251 P254 Q300 H301 P302 V308Y248-A304 HydrophobicContact CD1-CB 3.91Å; Y248-A304 HydrophobicContact CE1-CB 4.31Å; V251-A304 HydrophobicContact CB-CB 4.31Å; V251-A304 HydrophobicContact CG2-CB 4.03Å; P254-A304 HydrophobicContact CB-CB 4.42Å; P254-A304 HydrophobicContact CG-CB 4.45Å; Q300-A304 WeakPolarHBondContact O-CB 3.39Å; Q300-A304 PolarHBondContact O-N 2.94Å; H301-A304 PolarHBondContact O-N 3.49Å; P302-A304 PolarHBondContact O-N 3.44Å; A304-V308 PolarHBondContact O-N 2.91Å
305K94.4Very high94.4Very high33 Ų3344.3 Ų44.314%0.14323%0.225CC..Hα-helixtrans-65.1-45.3177-167.8167.581159.70111.5V251 K289 V290 E292 H301 P302 V308 L309V251-K305 HydrophobicContact CG2-CB 4.31Å; K289-K305 WeakPolarHBondContact O-CD 3.19Å; K289-K305 PolarHBondContact O-NZ 3.39Å; V290-K305 VanDerWaalsContact CA-CE 3.47Å; V290-K305 WeakPolarHBondContact O-CE 3.11Å; V290-K305 PolarHBondContact O-NZ 3.11Å; E292-K305 PolarHBondContact O-NZ 2.92Å; H301-K305 PolarHBondContact O-N 3.49Å; P302-K305 PolarHBondContact O-N 3.33Å; K305-V308 PolarHBondContact O-N 2.94Å; K305-L309 PolarHBondContact O-N 3.41Å; K305-L309 VanDerWaalsContact O-N 3.09Å
306N95.3Very high94.8Very high10 Ų1039.5 Ų39.55%0.05320%0.204CC..Hα-helixtrans-69-35179.8-66.8-14.2000111.7P302 N303 V308 L309 F310 L344P302-N306 WeakPolarHBondContact O-CB 3.48Å; P302-N306 PolarHBondContact O-N 3.49Å; P302-N306 PolarHBondContact O-ND2 3.28Å; N303-N306 PolarHBondContact O-N 3.44Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 2.93Å; N306-L309 WeakPolarHBondContact O-CB 3.4Å; N306-L309 PolarHBondContact O-N 2.71Å; N306-L309 VanDerWaalsContact O-N 3.15Å; N306-F310 HydrophobicContact CB-CD2 4.35Å; N306-F310 HydrophobicContact CB-CE2 4.47Å; N306-F310 VanDerWaalsContact O-CD2 3.29Å; N306-F310 WeakPolarHBondContact O-CD2 3.19Å; N306-F310 PolarHBondContact O-N 2.9Å; N306-L344 HydrophobicContact CB-CD2 4.13Å; N306-L344 WeakPolarHBondContact ND2-CD1 3.33Å
307A96.7Very high94.9Very high49 Ų4939.5 Ų39.541%0.40520%0.202SC..Hα-helixtrans-59-44.5175.300000112.1N303 L309 E311N303-A307 WeakPolarHBondContact O-CB 3.23Å; N303-A307 PolarHBondContact O-N 3.46Å; A307-L309 VanDerWaalsContact C-N 3.35Å; A307-E311 WeakPolarHBondContact O-CB 3.37Å; A307-E311 PolarHBondContact O-N 2.82Å
308V97.5Very high95.2Very high14 Ų1433.4 Ų33.49%0.08518%0.177CC..Hα-helixtrans-65.8-40.1174.8179.50000111P254 V258 L261 I286 A304 K305 N306 A312P254-V308 HydrophobicContact CB-CG2 4Å; V258-V308 HydrophobicContact CG2-CG2 4.1Å; L261-V308 HydrophobicContact CD1-CG1 4.08Å; I286-V308 HydrophobicContact CD1-CG1 4.17Å; I286-V308 HydrophobicContact CG1-CG1 4.44Å; I286-V308 HydrophobicContact CG2-CG1 4.22Å; A304-V308 PolarHBondContact O-N 2.91Å; K305-V308 PolarHBondContact O-N 2.94Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 2.93Å; V308-A312 WeakPolarHBondContact O-CB 3.47Å; V308-A312 PolarHBondContact O-N 3.45Å
309L97.6Very high95.1Very high1 Ų128.8 Ų28.81%0.00516%0.158CC..Hα-helixtrans-62.8-51.2178.6176.371.9000113I286 L287 V290 K305 N306 A307 E311 A312 I313 Q332 F336I286-L309 HydrophobicContact CG2-CD1 4.25Å; L287-L309 HydrophobicContact CD2-CD1 3.75Å; V290-L309 HydrophobicContact CB-CD1 4.29Å; V290-L309 HydrophobicContact CB-CD2 3.91Å; V290-L309 HydrophobicContact CG1-CD1 4.15Å; V290-L309 HydrophobicContact CG1-CD2 3.99Å; V290-L309 HydrophobicContact CG2-CD2 3.55Å; K305-L309 PolarHBondContact O-N 3.41Å; K305-L309 VanDerWaalsContact O-N 3.09Å; N306-L309 WeakPolarHBondContact O-CB 3.4Å; N306-L309 PolarHBondContact O-N 2.71Å; N306-L309 VanDerWaalsContact O-N 3.15Å; A307-L309 VanDerWaalsContact C-N 3.35Å; L309-E311 VanDerWaalsContact C-N 3.27Å; L309-E311 PolarHBondContact O-N 3.14Å; L309-A312 WeakPolarHBondContact O-CB 3.41Å; L309-A312 PolarHBondContact O-N 3.06Å; L309-A312 VanDerWaalsContact O-N 3.1Å; L309-I313 HydrophobicContact CD1-CD1 4.06Å; L309-I313 HydrophobicContact CD1-CG1 4.35Å; L309-I313 HydrophobicContact CD2-CD1 4.49Å; L309-I313 HydrophobicContact CG-CD1 3.89Å; L309-I313 HydrophobicContact CG-CG1 4.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.35Å; L309-Q332 HydrophobicContact CD2-CG 4.19Å; L309-F336 HydrophobicContact CD2-CE2 3.53Å; L309-F336 HydrophobicContact CD2-CZ 3.85Å
310F97.8Very high95.2Very high16 Ų1628.7 Ų28.77%0.0716%0.155CC..Hα-helixtrans-61.7-39.5-179.5-87.1-79.8000111N306 A312 I313 N314 L333 F336 L344 L347N306-F310 HydrophobicContact CB-CD2 4.35Å; N306-F310 HydrophobicContact CB-CE2 4.47Å; N306-F310 VanDerWaalsContact O-CD2 3.29Å; N306-F310 WeakPolarHBondContact O-CD2 3.19Å; N306-F310 PolarHBondContact O-N 2.9Å; F310-A312 VanDerWaalsContact C-N 3.32Å; F310-A312 PolarHBondContact O-N 2.79Å; F310-I313 PolarHBondContact O-N 3Å; F310-N314 VanDerWaalsContact O-CG 3.24Å; F310-N314 PolarHBondContact O-N 3.22Å; F310-N314 PolarHBondContact O-ND2 3.28Å; F310-L333 HydrophobicContact CD1-CD2 4.26Å; F310-L333 HydrophobicContact CE1-CD2 3.62Å; F310-L333 HydrophobicContact CZ-CD2 4.19Å; F310-F336 HydrophobicContact CE2-CD2 4.49Å; F310-F336 HydrophobicContact CE2-CE2 4.37Å; F310-F336 HydrophobicContact CZ-CD2 4.22Å; F310-F336 HydrophobicContact CZ-CG 4.49Å; F310-L344 HydrophobicContact CE2-CD2 3.72Å; F310-L344 HydrophobicContact CZ-CD2 4.44Å; F310-L347 HydrophobicContact CD1-CB 4.04Å; F310-L347 HydrophobicContact CE1-CB 3.51Å; F310-L347 HydrophobicContact CE2-CB 4.37Å; F310-L347 HydrophobicContact CE2-CD1 4.48Å; F310-L347 HydrophobicContact CZ-CB 3.7Å
311E97.6Very high94.8Very high15 Ų1527.8 Ų27.87%0.0716%0.156CC..Hα-helixtrans-65.8-35.8175-163.665.9-139.700112.4V258 L261 R262 Q265 A307 L309 N314 L315V258-E311 HydrophobicContact CB-CG 4.47Å; V258-E311 HydrophobicContact CG1-CB 4.36Å; V258-E311 HydrophobicContact CG1-CG 3.98Å; V258-E311 HydrophobicContact CG2-CB 4.36Å; L261-E311 HydrophobicContact CB-CB 4.32Å; L261-E311 HydrophobicContact CB-CG 3.58Å; L261-E311 HydrophobicContact CD1-CB 4.07Å; L261-E311 HydrophobicContact CD1-CG 4.23Å; R262-E311 IonicContact CZ-OE1 2.58Å; R262-E311 VanDerWaalsContact CZ-OE1 3.28Å; R262-E311 IonicContact CZ-OE2 3.49Å; R262-E311 IonicContact NE-OE1 2.7Å; R262-E311 PolarHBondContact NE-OE1 3.31Å; R262-E311 IonicContact NE-OE2 2.8Å; R262-E311 IonicContact NH2-OE1 3.36Å; R262-E311 PolarHBondContact NH2-OE1 3.2Å; R262-E311 IonicContact NH2-OE2 3.54Å; R262-E311 PolarHBondContact NH2-OE2 2.82Å; Q265-E311 PolarHBondContact NE2-O 3.31Å; Q265-E311 PolarHBondContact NE2-OE1 2.86Å; A307-E311 WeakPolarHBondContact O-CB 3.37Å; A307-E311 PolarHBondContact O-N 2.82Å; L309-E311 VanDerWaalsContact C-N 3.27Å; L309-E311 PolarHBondContact O-N 3.14Å; E311-N314 PolarHBondContact O-N 2.94Å; E311-L315 PolarHBondContact O-N 2.84Å; E311-L315 VanDerWaalsContact O-N 3.13Å
312A98.2Very high94.6Very high0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-68.7-39.6174.100000112L261 L283 I286 V308 L309 F310 L315 I316L261-A312 HydrophobicContact CD1-CB 4.02Å; L261-A312 HydrophobicContact CD2-CB 4.25Å; L283-A312 HydrophobicContact CD2-CB 3.82Å; I286-A312 HydrophobicContact CB-CB 4.42Å; I286-A312 HydrophobicContact CD1-CB 3.98Å; I286-A312 HydrophobicContact CG2-CB 3.88Å; V308-A312 WeakPolarHBondContact O-CB 3.47Å; V308-A312 PolarHBondContact O-N 3.45Å; L309-A312 WeakPolarHBondContact O-CB 3.41Å; L309-A312 PolarHBondContact O-N 3.06Å; L309-A312 VanDerWaalsContact O-N 3.1Å; F310-A312 VanDerWaalsContact C-N 3.32Å; F310-A312 PolarHBondContact O-N 2.79Å; A312-L315 PolarHBondContact O-N 2.76Å; A312-I316 VanDerWaalsContact O-CG1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.45Å; A312-I316 PolarHBondContact O-N 2.97Å
313I97.5Very high94.6Very high0 Ų030.4 Ų30.40%017%0.171CC..Hα-helixtrans-63.2-43.4174.8-71.3173.4000110.5L287 L309 F310 L315 I316 I317 A329 L333L287-I313 HydrophobicContact CD2-CG1 4.38Å; L309-I313 HydrophobicContact CD1-CD1 4.06Å; L309-I313 HydrophobicContact CD1-CG1 4.35Å; L309-I313 HydrophobicContact CD2-CD1 4.49Å; L309-I313 HydrophobicContact CG-CD1 3.89Å; L309-I313 HydrophobicContact CG-CG1 4.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 3.35Å; F310-I313 PolarHBondContact O-N 3Å; I313-L315 VanDerWaalsContact C-N 3.27Å; I313-L315 PolarHBondContact O-N 2.8Å; I313-I316 WeakPolarHBondContact O-CB 3.48Å; I313-I316 PolarHBondContact O-N 3.05Å; I313-I316 VanDerWaalsContact O-N 3.12Å; I313-I317 HydrophobicContact CG2-CD1 3.7Å; I313-I317 HydrophobicContact CG2-CG1 4.32Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.37Å; I313-I317 PolarHBondContact O-N 2.88Å; I313-A329 HydrophobicContact CG1-CB 4.07Å; I313-A329 HydrophobicContact CG2-CB 4.32Å; I313-L333 HydrophobicContact CD1-CD2 3.67Å; I313-L333 HydrophobicContact CD1-CG 4Å; I313-L333 HydrophobicContact CG2-CD1 4.01Å; I313-L333 HydrophobicContact CG2-CD2 4.42Å; I313-L333 HydrophobicContact CG2-CG 4.43Å
314N96.2Very high94.6Very high42 Ų4235.1 Ų35.123%0.22519%0.187CC..Hα-helixtrans-58.7-39.8174.6-70-18.5000111.8F310 E311 H318F310-N314 VanDerWaalsContact O-CG 3.24Å; F310-N314 PolarHBondContact O-N 3.22Å; F310-N314 PolarHBondContact O-ND2 3.28Å; E311-N314 PolarHBondContact O-N 2.94Å; N314-H318 VanDerWaalsContact O-CB 3.3Å; N314-H318 WeakPolarHBondContact O-CB 3.49Å; N314-H318 PolarHBondContact O-N 3.14Å
315L97Very high94.6Very high2 Ų235.2 Ų35.21%0.0119%0.187CC..Hα-helixtrans-67.7-40.5174.2-178.859.4000112.6L261 L264 Q265 L279 L283 E311 A312 I313 I317 H318 M319L261-L315 HydrophobicContact CD2-CD2 3.79Å; L264-L315 HydrophobicContact CB-CD1 3.98Å; L264-L315 HydrophobicContact CB-CD2 3.8Å; L264-L315 HydrophobicContact CD1-CD2 3.91Å; Q265-L315 HydrophobicContact CG-CB 4.12Å; Q265-L315 HydrophobicContact CG-CD1 3.75Å; L279-L315 HydrophobicContact CD1-CD2 4.19Å; L283-L315 HydrophobicContact CD2-CD2 4.31Å; E311-L315 PolarHBondContact O-N 2.84Å; E311-L315 VanDerWaalsContact O-N 3.13Å; A312-L315 PolarHBondContact O-N 2.76Å; I313-L315 VanDerWaalsContact C-N 3.27Å; I313-L315 PolarHBondContact O-N 2.8Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.96Å; L315-H318 PolarHBondContact O-N 2.86Å; L315-M319 HydrophobicContact CD1-CG 4.08Å; L315-M319 HydrophobicContact CD1-SD 4.14Å; L315-M319 HydrophobicContact CG-SD 4.12Å; L315-M319 VanDerWaalsContact O-CG 3.31Å; L315-M319 WeakPolarHBondContact O-CG 3.23Å; L315-M319 PolarHBondContact O-N 2.82Å
316I96.4Very high94.6Very high8 Ų833.7 Ų33.74%0.04118%0.18CC..Hα-helixtrans-58.8-46.9175-69.1164000110.4L283 L287 A312 I313 M319 D320 L325 L326 A329L283-I316 HydrophobicContact CB-CD1 4.24Å; L283-I316 HydrophobicContact CB-CG1 4.24Å; L283-I316 HydrophobicContact CD1-CG1 3.83Å; L283-I316 HydrophobicContact CD2-CG1 4.18Å; L283-I316 HydrophobicContact CG-CG1 4.3Å; L287-I316 HydrophobicContact CD1-CD1 3.89Å; L287-I316 HydrophobicContact CG-CD1 4.45Å; A312-I316 VanDerWaalsContact O-CG1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.45Å; A312-I316 PolarHBondContact O-N 2.97Å; I313-I316 WeakPolarHBondContact O-CB 3.48Å; I313-I316 PolarHBondContact O-N 3.05Å; I313-I316 VanDerWaalsContact O-N 3.12Å; I316-M319 PolarHBondContact O-N 2.85Å; I316-D320 PolarHBondContact O-N 2.88Å; I316-L325 HydrophobicContact CD1-CB 4.41Å; I316-L325 HydrophobicContact CG1-CB 4.45Å; I316-L325 HydrophobicContact CG2-CB 3.94Å; I316-L326 HydrophobicContact CG2-CD2 3.79Å; I316-L326 HydrophobicContact CG2-CG 4.05Å; I316-A329 HydrophobicContact CD1-CB 4.31Å; I316-A329 HydrophobicContact CG2-CB 4.46Å
317I93.7Very high94.5Very high25 Ų2535.7 Ų35.713%0.12819%0.192CC..Hα-helixtrans-61.8-47.5177.7-66.6165.9000110.1I313 L315 M319 D320 L354 L355I313-I317 HydrophobicContact CG2-CD1 3.7Å; I313-I317 HydrophobicContact CG2-CG1 4.32Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.37Å; I313-I317 PolarHBondContact O-N 2.88Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.96Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.26Å; I317-D320 PolarHBondContact O-N 3.15Å; I317-L354 HydrophobicContact CD1-CB 4.29Å; I317-L354 HydrophobicContact CG2-CB 3.79Å; I317-L355 HydrophobicContact CD1-CD1 4.33Å; I317-L355 HydrophobicContact CD1-CD2 4.24Å; I317-L355 HydrophobicContact CD1-CG 3.8Å; I317-L355 HydrophobicContact CG1-CD2 3.59Å; I317-L355 HydrophobicContact CG1-CG 3.72Å
318H92.4Very high94.4Very high93 Ų9336.8 Ų36.843%0.43119%0.186SC..Hα-helixtrans-60.4-36.9-179.7-179.167.5000112.9Q265 Y267 N314 L315Q265-H318 HydrophobicContact CG-CB 4.45Å; Q265-H318 PolarHBondContact O-NE2 3.07Å; Q265-H318 VanDerWaalsContact O-NE2 3.16Å; Y267-H318 PolarHBondContact O-NE2 2.9Å; N314-H318 VanDerWaalsContact O-CB 3.3Å; N314-H318 WeakPolarHBondContact O-CB 3.49Å; N314-H318 PolarHBondContact O-N 3.14Å; L315-H318 PolarHBondContact O-N 2.86Å
319M91Very high94.3Very high29 Ų2936.1 Ų36.114%0.14318%0.182CC..Hα-helixtrans-77.6-23.7179.7-69.8177.97000114.1Q269 L279 L283 L315 I316 I317 S321Q269-M319 HydrophobicContact CB-CE 4.03Å; Q269-M319 HydrophobicContact CG-CE 3.82Å; L279-M319 HydrophobicContact CD2-CE 3.91Å; L279-M319 HydrophobicContact CD2-SD 3.74Å; L283-M319 HydrophobicContact CD1-SD 4.48Å; L315-M319 HydrophobicContact CD1-CG 4.08Å; L315-M319 HydrophobicContact CD1-SD 4.14Å; L315-M319 HydrophobicContact CG-SD 4.12Å; L315-M319 VanDerWaalsContact O-CG 3.31Å; L315-M319 WeakPolarHBondContact O-CG 3.23Å; L315-M319 PolarHBondContact O-N 2.82Å; I316-M319 PolarHBondContact O-N 2.85Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.26Å; M319-S321 VanDerWaalsContact C-N 3.26Å; M319-S321 VanDerWaalsContact O-CB 3.26Å; M319-S321 WeakPolarHBondContact O-CB 3.49Å; M319-S321 PolarHBondContact O-N 3.22Å; M319-S321 PolarHBondContact O-OG 3.41Å
320D90.9Very high94.2Very high63 Ų6336.1 Ų36.134%0.33718%0.182SC..  trans33.945.3176.7-157.627.5000116.9I316 I317 L326 S358 F360I316-D320 PolarHBondContact O-N 2.88Å; I317-D320 PolarHBondContact O-N 3.15Å; D320-L326 VanDerWaalsContact OD1-CD1 3.27Å; D320-L326 WeakPolarHBondContact OD1-CD1 3.42Å; D320-S358 VanDerWaalsContact OD1-CB 3.26Å; D320-S358 WeakPolarHBondContact OD1-CB 3.38Å; D320-S358 PolarHBondContact OD1-OG 3.35Å; D320-F360 WeakPolarHBondContact O-CE2 3.46Å
321S86.5Confident94Very high45 Ų4538.5 Ų38.532%0.31520%0.195SC..  trans-131.4-17.7-168.356.50000114.8Q269 M319 P323Q269-S321 PolarHBondContact NE2-OG 2.9Å; M319-S321 VanDerWaalsContact C-N 3.26Å; M319-S321 VanDerWaalsContact O-CB 3.26Å; M319-S321 WeakPolarHBondContact O-CB 3.49Å; M319-S321 PolarHBondContact O-N 3.22Å; M319-S321 PolarHBondContact O-OG 3.41Å; S321-P323 WeakPolarHBondContact O-CD 3.46Å
322D89.9Confident93.8Very high51 Ų5138.2 Ų38.227%0.27319%0.194SC..  trans-116.899.1-179.9-172.9-25000109.9K324 L325 L326D322-K324 PolarHBondContact O-N 3.4Å; D322-K324 VanDerWaalsContact O-N 3.16Å; D322-K324 WeakPolarHBondContact OD1-CB 3.2Å; D322-K324 PolarHBondContact OD1-N 2.62Å; D322-L325 HydrophobicContact CB-CB 4.1Å; D322-L325 HydrophobicContact CB-CD1 4.07Å; D322-L325 HydrophobicContact CB-CG 4.22Å; D322-L325 PolarHBondContact O-N 2.7Å; D322-L325 PolarHBondContact OD1-N 2.87Å; D322-L326 WeakPolarHBondContact O-CG 3.47Å; D322-L326 PolarHBondContact O-N 3.24Å
323P91.3Very high93.7Very high54 Ų5438.2 Ų38.235%0.35119%0.194SC..Hα-helixtrans-56.2-32.5179.3-26.434.4000113.3S321 V327 F360S321-P323 WeakPolarHBondContact O-CD 3.46Å; P323-V327 WeakPolarHBondContact O-CB 3.42Å; P323-V327 WeakPolarHBondContact O-CG2 3.48Å; P323-V327 PolarHBondContact O-N 3.3Å; P323-F360 HydrophobicContact CB-CB 4.23Å; P323-F360 HydrophobicContact CB-CD1 4.39Å; P323-F360 HydrophobicContact CB-CG 4.49Å; P323-F360 HydrophobicContact CG-CB 4.28Å; P323-F360 HydrophobicContact CG-CD1 3.7Å; P323-F360 HydrophobicContact CG-CE1 4.2Å; P323-F360 HydrophobicContact CG-CG 4Å
324K93.4Very high93.6Very high177 Ų17738.5 Ų38.577%0.7720%0.197SC*.Hα-helixtrans-69.9-43.6-178.7-63.4178-178.1173.30110.7D322 R328D322-K324 PolarHBondContact O-N 3.4Å; D322-K324 VanDerWaalsContact O-N 3.16Å; D322-K324 WeakPolarHBondContact OD1-CB 3.2Å; D322-K324 PolarHBondContact OD1-N 2.62Å; K324-R328 VanDerWaalsContact O-CB 3.28Å; K324-R328 WeakPolarHBondContact O-CB 3.23Å; K324-R328 PolarHBondContact O-N 3.24Å
325L94.6Very high93.4Very high13 Ų1342.1 Ų42.17%0.06821%0.213CC..Hα-helixtrans-66.4-42.6176.3-73.2177.9000111.4A280 L283 D284 L287 I316 D322 R328 A329A280-L325 HydrophobicContact CB-CD1 4.21Å; L283-L325 HydrophobicContact CB-CD1 4.23Å; L283-L325 HydrophobicContact CB-CD2 4.46Å; L283-L325 HydrophobicContact CD1-CD1 4.3Å; D284-L325 HydrophobicContact CB-CD2 4.13Å; L287-L325 HydrophobicContact CD1-CD2 3.95Å; I316-L325 HydrophobicContact CD1-CB 4.41Å; I316-L325 HydrophobicContact CG1-CB 4.45Å; I316-L325 HydrophobicContact CG2-CB 3.94Å; D322-L325 HydrophobicContact CB-CB 4.1Å; D322-L325 HydrophobicContact CB-CD1 4.07Å; D322-L325 HydrophobicContact CB-CG 4.22Å; D322-L325 PolarHBondContact O-N 2.7Å; D322-L325 PolarHBondContact OD1-N 2.87Å; L325-R328 PolarHBondContact O-N 3.15Å; L325-A329 VanDerWaalsContact O-CB 3.3Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 3.26Å
326L94.7Very high93.3Very high1 Ų142.6 Ų42.61%0.00521%0.214CC..Hα-helixtrans-60.8-48.7177.7-71.7163.3000111.9I316 D320 D322 R328 A329 C330 L355 F360I316-L326 HydrophobicContact CG2-CD2 3.79Å; I316-L326 HydrophobicContact CG2-CG 4.05Å; D320-L326 VanDerWaalsContact OD1-CD1 3.27Å; D320-L326 WeakPolarHBondContact OD1-CD1 3.42Å; D322-L326 WeakPolarHBondContact O-CG 3.47Å; D322-L326 PolarHBondContact O-N 3.24Å; L326-R328 VanDerWaalsContact C-N 3.34Å; L326-R328 PolarHBondContact O-N 2.74Å; L326-A329 PolarHBondContact O-N 3.24Å; L326-C330 WeakPolarHBondContact O-CB 3.49Å; L326-C330 PolarHBondContact O-N 2.71Å; L326-L355 HydrophobicContact CB-CD2 4.46Å; L326-L355 HydrophobicContact CD2-CD2 3.58Å; L326-F360 HydrophobicContact CD1-CB 3.84Å; L326-F360 HydrophobicContact CD1-CD2 4.09Å; L326-F360 HydrophobicContact CD1-CG 4.36Å
327V94.4Very high93.2Very high51 Ų5142.6 Ų42.631%0.30922%0.215SC..Hα-helixtrans-63.4-40.1177.4172.10000111.1P323 C330 N331 A364P323-V327 WeakPolarHBondContact O-CB 3.42Å; P323-V327 WeakPolarHBondContact O-CG2 3.48Å; P323-V327 PolarHBondContact O-N 3.3Å; V327-C330 WeakPolarHBondContact O-CB 3.25Å; V327-C330 PolarHBondContact O-N 3.4Å; V327-N331 VanDerWaalsContact O-CG 3.25Å; V327-N331 PolarHBondContact O-N 3.05Å; V327-N331 PolarHBondContact O-ND2 3.12Å; V327-N331 VanDerWaalsContact O-ND2 3.1Å; V327-A364 HydrophobicContact CG1-CB 4.26Å; V327-A364 HydrophobicContact CG2-CB 4.16Å
328R93.7Very high93.2Very high73 Ų7348.3 Ų48.328%0.27524%0.241SC..Hα-helixtrans-66.3-41.4177-167.5178.6-175.8144.614.9111.9D284 L287 K324 L325 L326 N331 Q332D284-R328 IonicContact OD1-CZ 2.8Å; D284-R328 IonicContact OD1-NE 3.99Å; D284-R328 IonicContact OD1-NH1 3.72Å; D284-R328 PolarHBondContact OD1-NH1 3.12Å; L287-R328 HydrophobicContact CD1-CB 4.25Å; L287-R328 HydrophobicContact CD1-CG 4.1Å; K324-R328 VanDerWaalsContact O-CB 3.28Å; K324-R328 WeakPolarHBondContact O-CB 3.23Å; K324-R328 PolarHBondContact O-N 3.24Å; L325-R328 PolarHBondContact O-N 3.15Å; L326-R328 VanDerWaalsContact C-N 3.34Å; L326-R328 PolarHBondContact O-N 2.74Å; R328-N331 PolarHBondContact O-N 2.92Å; R328-Q332 WeakPolarHBondContact O-CB 3.46Å; R328-Q332 PolarHBondContact O-N 2.8Å
329A96.2Very high93.2Very high0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-61.4-47.3173.800000111I313 I316 L325 L326 N331 Q332 L333I313-A329 HydrophobicContact CG1-CB 4.07Å; I313-A329 HydrophobicContact CG2-CB 4.32Å; I316-A329 HydrophobicContact CD1-CB 4.31Å; I316-A329 HydrophobicContact CG2-CB 4.46Å; L325-A329 VanDerWaalsContact O-CB 3.3Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 3.26Å; L326-A329 PolarHBondContact O-N 3.24Å; A329-N331 PolarHBondContact O-N 3.25Å; A329-Q332 WeakPolarHBondContact O-CB 3.43Å; A329-Q332 PolarHBondContact O-N 2.84Å; A329-Q332 VanDerWaalsContact O-N 3.11Å; A329-L333 WeakPolarHBondContact O-CG 3.34Å; A329-L333 PolarHBondContact O-N 3.25Å
330C95.2Very high93.2Very high0 Ų055.2 Ų55.20%027%0.269CS..Hα-helixtrans-54.4-51.6174.7-178.70000111.8L326 V327 Q332 L333 G334 L355 A364 V365L326-C330 WeakPolarHBondContact O-CB 3.49Å; L326-C330 PolarHBondContact O-N 2.71Å; V327-C330 WeakPolarHBondContact O-CB 3.25Å; V327-C330 PolarHBondContact O-N 3.4Å; C330-Q332 PolarHBondContact O-N 3.06Å; C330-L333 PolarHBondContact O-N 2.96Å; C330-G334 PolarHBondContact O-N 3.16Å; C330-L355 HydrophobicContact CB-CD1 4.05Å; C330-A364 HydrophobicContact CB-CB 4.18Å; C330-A364 VanDerWaalsContact SG-C 3.54Å; C330-V365 PolarHBondContact SG-N 2.81Å
331N93.6Very high93.2Very high66 Ų6656.4 Ų56.435%0.35327%0.273SS..Hα-helixtrans-60-36.3178.4-70.3-35.2000112.2V327 R328 A329 G334 Q335V327-N331 VanDerWaalsContact O-CG 3.25Å; V327-N331 PolarHBondContact O-N 3.05Å; V327-N331 PolarHBondContact O-ND2 3.12Å; V327-N331 VanDerWaalsContact O-ND2 3.1Å; R328-N331 PolarHBondContact O-N 2.92Å; A329-N331 PolarHBondContact O-N 3.25Å; N331-G334 PolarHBondContact O-N 2.94Å; N331-Q335 PolarHBondContact O-N 2.88Å
332Q94.1Very high93.6Very high10 Ų1056.3 Ų56.35%0.04727%0.271CS..Hα-helixtrans-69.9-40.2177.7-169.358.162.300112V290 Q291 L309 R328 A329 C330 Q335 F336V290-Q332 VanDerWaalsContact CG1-CD 3.45Å; V290-Q332 HydrophobicContact CG1-CG 3.89Å; Q291-Q332 VanDerWaalsContact NE2-OE1 3.16Å; L309-Q332 HydrophobicContact CD2-CG 4.19Å; R328-Q332 WeakPolarHBondContact O-CB 3.46Å; R328-Q332 PolarHBondContact O-N 2.8Å; A329-Q332 WeakPolarHBondContact O-CB 3.43Å; A329-Q332 PolarHBondContact O-N 2.84Å; A329-Q332 VanDerWaalsContact O-N 3.11Å; C330-Q332 PolarHBondContact O-N 3.06Å; Q332-Q335 PolarHBondContact O-N 3.12Å; Q332-F336 HydrophobicContact CG-CE2 4.23Å; Q332-F336 VanDerWaalsContact O-CD2 3.26Å; Q332-F336 WeakPolarHBondContact O-CD2 3.34Å; Q332-F336 PolarHBondContact O-N 3.44Å
333L96.1Very high93.8Very high0 Ų059.5 Ų59.50%029%0.288CS..Hα-helixtrans-66.7-38.2173.3-65.1176.4000111.9F310 I313 A329 C330 Q335 F336 L337 A348 L352 L355F310-L333 HydrophobicContact CD1-CD2 4.26Å; F310-L333 HydrophobicContact CE1-CD2 3.62Å; F310-L333 HydrophobicContact CZ-CD2 4.19Å; I313-L333 HydrophobicContact CD1-CD2 3.67Å; I313-L333 HydrophobicContact CD1-CG 4Å; I313-L333 HydrophobicContact CG2-CD1 4.01Å; I313-L333 HydrophobicContact CG2-CD2 4.42Å; I313-L333 HydrophobicContact CG2-CG 4.43Å; A329-L333 WeakPolarHBondContact O-CG 3.34Å; A329-L333 PolarHBondContact O-N 3.25Å; C330-L333 PolarHBondContact O-N 2.96Å; L333-Q335 PolarHBondContact O-N 3.38Å; L333-F336 WeakPolarHBondContact O-CA 3.45Å; L333-F336 WeakPolarHBondContact O-CB 3.08Å; L333-F336 PolarHBondContact O-N 3.16Å; L333-L337 PolarHBondContact O-N 3.06Å; L333-A348 HydrophobicContact CB-CB 4.44Å; L333-A348 HydrophobicContact CD2-CB 4.36Å; L333-L352 HydrophobicContact CB-CD1 4.16Å; L333-L352 HydrophobicContact CB-CD2 3.93Å; L333-L352 HydrophobicContact CB-CG 3.8Å; L333-L352 HydrophobicContact CD1-CD2 4.07Å; L333-L352 HydrophobicContact CD1-CG 3.93Å; L333-L355 HydrophobicContact CD1-CD1 3.55Å
334G94.1Very high94Very high5 Ų557.6 Ų57.65%0.05228%0.275CS..Hα-helixtrans-57-37.2175.100000112.9C330 N331 F336 L337C330-G334 PolarHBondContact O-N 3.16Å; N331-G334 PolarHBondContact O-N 2.94Å; G334-F336 VanDerWaalsContact C-N 3.34Å; G334-L337 WeakPolarHBondContact O-CB 3.49Å; G334-L337 PolarHBondContact O-N 2.83Å
335Q92.8Very high94.1Very high119 Ų11950.8 Ų50.856%0.55624%0.244SC*.Hα-helixtrans-66.4-34.6172.3-66.8175.728.500112.5N331 Q332 L333 L337 Q338N331-Q335 PolarHBondContact O-N 2.88Å; Q332-Q335 PolarHBondContact O-N 3.12Å; L333-Q335 PolarHBondContact O-N 3.38Å; Q335-L337 PolarHBondContact O-N 2.6Å; Q335-Q338 PolarHBondContact O-N 3.34Å
336F94.7Very high94.2Very high11 Ų1153 Ų535%0.04825%0.252CS..Hα-helixtrans-68.6-22.6178.4-78.4-63.3000113.3V290 L309 F310 Q332 L333 G334 Q338 H339 L344 R345 A348V290-F336 HydrophobicContact CG2-CZ 4.43Å; L309-F336 HydrophobicContact CD2-CE2 3.53Å; L309-F336 HydrophobicContact CD2-CZ 3.85Å; F310-F336 HydrophobicContact CE2-CD2 4.49Å; F310-F336 HydrophobicContact CE2-CE2 4.37Å; F310-F336 HydrophobicContact CZ-CD2 4.22Å; F310-F336 HydrophobicContact CZ-CG 4.49Å; Q332-F336 HydrophobicContact CG-CE2 4.23Å; Q332-F336 VanDerWaalsContact O-CD2 3.26Å; Q332-F336 WeakPolarHBondContact O-CD2 3.34Å; Q332-F336 PolarHBondContact O-N 3.44Å; L333-F336 WeakPolarHBondContact O-CA 3.45Å; L333-F336 WeakPolarHBondContact O-CB 3.08Å; L333-F336 PolarHBondContact O-N 3.16Å; G334-F336 VanDerWaalsContact C-N 3.34Å; F336-Q338 PolarHBondContact O-N 3.18Å; F336-H339 HydrophobicContact CD1-CB 4.16Å; F336-H339 WeakPolarHBondContact O-CB 3.5Å; F336-H339 PolarHBondContact O-N 3.46Å; F336-L344 HydrophobicContact CD1-CB 4.03Å; F336-L344 HydrophobicContact CD1-CD1 4.24Å; F336-L344 HydrophobicContact CE1-CD1 4.1Å; F336-R345 WeakPolarHBondContact O-CG 3.47Å; F336-A348 HydrophobicContact CB-CB 3.58Å
337L94.3Very high94.2Very high9 Ų956.1 Ų56.15%0.04727%0.268CS..THydrogen-bonded Turntrans-59.7-26.4175.6-62.5-178.8000113.4L333 G334 Q335 R345 A348 L349 L352 H368 T371 I372L333-L337 PolarHBondContact O-N 3.06Å; G334-L337 WeakPolarHBondContact O-CB 3.49Å; G334-L337 PolarHBondContact O-N 2.83Å; Q335-L337 PolarHBondContact O-N 2.6Å; L337-R345 WeakPolarHBondContact O-CD 3.31Å; L337-R345 WeakPolarHBondContact O-CG 3.42Å; L337-A348 HydrophobicContact CD2-CB 4.06Å; L337-L349 HydrophobicContact CD2-CD2 3.49Å; L337-L349 VanDerWaalsContact CD2-CD2 3.49Å; L337-L349 HydrophobicContact CD2-CG 3.64Å; L337-L352 HydrophobicContact CD1-CD1 3.83Å; L337-L352 HydrophobicContact CD2-CD1 3.93Å; L337-L352 HydrophobicContact CG-CD1 4.04Å; L337-H368 HydrophobicContact CD1-CB 4.28Å; L337-T371 HydrophobicContact CB-CG2 3.66Å; L337-T371 HydrophobicContact CD1-CG2 4Å; L337-I372 HydrophobicContact CD1-CG1 3.76Å
338Q92.5Very high94.4Very high145 Ų14553.7 Ų53.768%0.67825%0.253SS*.THydrogen-bonded Turntrans-104.99.6177.3-62.6179.7-1300112.6Q335 F336 T371Q335-Q338 PolarHBondContact O-N 3.34Å; F336-Q338 PolarHBondContact O-N 3.18Å; Q338-T371 HydrophobicContact CG-CG2 3.73Å
339H92.8Very high94.5Very high69 Ų6950.2 Ų50.232%0.31924%0.241SC..  trans-69150.1-179.6-166.8-88.4000111F336 E341 L344 R345F336-H339 HydrophobicContact CD1-CB 4.16Å; F336-H339 WeakPolarHBondContact O-CB 3.5Å; F336-H339 PolarHBondContact O-N 3.46Å; H339-E341 VanDerWaalsContact C-N 3.34Å; H339-E341 WeakPolarHBondContact ND1-CB 3.28Å; H339-E341 PolarHBondContact ND1-N 3.18Å; H339-E341 VanDerWaalsContact ND1-N 3.14Å; H339-E341 PolarHBondContact O-N 2.95Å; H339-L344 VanDerWaalsContact CE1-CD1 3.44Å; H339-L344 WeakPolarHBondContact CE1-CD1 3.08Å; H339-L344 WeakPolarHBondContact ND1-CD1 3.41Å; H339-R345 WeakPolarHBondContact O-CD 3.34Å; H339-R345 PolarHBondContact O-NH1 2.67Å
340K90.9Very high94.4Very high197 Ų19753.9 Ų53.986%0.85726%0.257SS*.SBendtrans-65.6-33.7-177.3-63.5-177.8-179.7-178.20113.8R345K340-R345 PolarHBondContact O-NH1 3.36Å
341E91.8Very high94.4Very high88 Ų8854.1 Ų54.141%0.41126%0.259SS..  trans-78.4121.3179.4-65.2-71.5159.800112H339 N343 L344 R345H339-E341 VanDerWaalsContact C-N 3.34Å; H339-E341 WeakPolarHBondContact ND1-CB 3.28Å; H339-E341 PolarHBondContact ND1-N 3.18Å; H339-E341 VanDerWaalsContact ND1-N 3.14Å; H339-E341 PolarHBondContact O-N 2.95Å; E341-N343 VanDerWaalsContact C-N 3.33Å; E341-N343 PolarHBondContact O-N 2.81Å; E341-L344 HydrophobicContact CB-CB 4.31Å; E341-L344 HydrophobicContact CB-CD1 3.98Å; E341-L344 HydrophobicContact CB-CG 4.11Å; E341-L344 HydrophobicContact CG-CD1 4.29Å; E341-L344 PolarHBondContact O-N 3.07Å; E341-R345 PolarHBondContact O-N 2.76Å
342T94Very high94.6Very high44 Ų4451 Ų5127%0.2724%0.242SC..Hα-helixtrans-60.1-40.2179.3-50.70000112.5L344 R345 Y346 D381 V384T342-L344 VanDerWaalsContact C-N 3.26Å; T342-L344 PolarHBondContact O-N 3.26Å; T342-R345 WeakPolarHBondContact O-CB 3.42Å; T342-R345 PolarHBondContact O-N 3.07Å; T342-R345 VanDerWaalsContact O-N 3.13Å; T342-R345 PolarHBondContact OG1-NH2 2.68Å; T342-R345 VanDerWaalsContact OG1-NH2 3.07Å; T342-Y346 PolarHBondContact O-N 3.19Å; T342-D381 HydrophobicContact CG2-CB 4.02Å; T342-V384 HydrophobicContact CG2-CG2 3.75Å
343N94Very high94.6Very high118 Ų11851.5 Ų51.563%0.63125%0.247SC*.Hα-helixtrans-59.9-36.1179.3-66.7-26.4000112.5E341 L347E341-N343 VanDerWaalsContact C-N 3.33Å; E341-N343 PolarHBondContact O-N 2.81Å; N343-L347 VanDerWaalsContact O-CG 3.29Å; N343-L347 WeakPolarHBondContact O-CG 3.46Å; N343-L347 PolarHBondContact O-N 3Å
344L95.1Very high94.3Very high14 Ų1455.5 Ų55.57%0.07327%0.268CS..Hα-helixtrans-74.4-35.4178.8-66.4174.6000111.6N306 F310 F336 H339 E341 T342 A348N306-L344 HydrophobicContact CB-CD2 4.13Å; N306-L344 WeakPolarHBondContact ND2-CD1 3.33Å; F310-L344 HydrophobicContact CE2-CD2 3.72Å; F310-L344 HydrophobicContact CZ-CD2 4.44Å; F336-L344 HydrophobicContact CD1-CB 4.03Å; F336-L344 HydrophobicContact CD1-CD1 4.24Å; F336-L344 HydrophobicContact CE1-CD1 4.1Å; H339-L344 VanDerWaalsContact CE1-CD1 3.44Å; H339-L344 WeakPolarHBondContact CE1-CD1 3.08Å; H339-L344 WeakPolarHBondContact ND1-CD1 3.41Å; E341-L344 HydrophobicContact CB-CB 4.31Å; E341-L344 HydrophobicContact CB-CD1 3.98Å; E341-L344 HydrophobicContact CB-CG 4.11Å; E341-L344 HydrophobicContact CG-CD1 4.29Å; E341-L344 PolarHBondContact O-N 3.07Å; T342-L344 VanDerWaalsContact C-N 3.26Å; T342-L344 PolarHBondContact O-N 3.26Å; L344-A348 WeakPolarHBondContact O-CB 3.43Å; L344-A348 PolarHBondContact O-N 2.86Å
345R96Very high94.2Very high33 Ų3355.3 Ų55.313%0.12527%0.266CS..Hα-helixtrans-62.9-45.2171.7-63.3-165.8-63.1-84.33.8111.1F336 L337 H339 K340 E341 T342 A348 L349 E379F336-R345 WeakPolarHBondContact O-CG 3.47Å; L337-R345 WeakPolarHBondContact O-CD 3.31Å; L337-R345 WeakPolarHBondContact O-CG 3.42Å; H339-R345 WeakPolarHBondContact O-CD 3.34Å; H339-R345 PolarHBondContact O-NH1 2.67Å; K340-R345 PolarHBondContact O-NH1 3.36Å; E341-R345 PolarHBondContact O-N 2.76Å; T342-R345 WeakPolarHBondContact O-CB 3.42Å; T342-R345 PolarHBondContact O-N 3.07Å; T342-R345 VanDerWaalsContact O-N 3.13Å; T342-R345 PolarHBondContact OG1-NH2 2.68Å; T342-R345 VanDerWaalsContact OG1-NH2 3.07Å; R345-A348 PolarHBondContact O-N 3.11Å; R345-L349 WeakPolarHBondContact O-CG 3.24Å; R345-L349 PolarHBondContact O-N 2.85Å; R345-E379 IonicContact CZ-OE2 2.68Å; R345-E379 IonicContact NE-OE2 3.96Å; R345-E379 PolarHBondContact NE-OE2 3.09Å; R345-E379 IonicContact NH2-OE1 3.2Å; R345-E379 PolarHBondContact NH2-OE1 2.84Å; R345-E379 VanDerWaalsContact NH2-OE1 3.16Å; R345-E379 IonicContact NH2-OE2 3.61Å; R345-E379 PolarHBondContact NH2-OE2 3.27Å
346Y96.7Very high94.1Very high61 Ų6149.8 Ų49.824%0.23924%0.24CC..Hα-helixtrans-57.6-54.6176.3-179.3-87000111.8T342 A348 L349 E350 V384 R387T342-Y346 PolarHBondContact O-N 3.19Å; Y346-A348 VanDerWaalsContact C-N 3.26Å; Y346-A348 PolarHBondContact O-N 3.34Å; Y346-L349 PolarHBondContact O-N 3.17Å; Y346-E350 PolarHBondContact O-N 3.49Å; Y346-V384 HydrophobicContact CD2-CG2 4.19Å; Y346-R387 HydrophobicContact CD2-CG 3.94Å; Y346-R387 HydrophobicContact CE2-CG 3.51Å; Y346-R387 PolarHBondContact OH-NE 2.88Å; Y346-R387 PolarHBondContact OH-NH2 3.29Å; Y346-R387 VanDerWaalsContact OH-NH2 3.12Å
347L95.7Very high93.7Very high65 Ų6553.5 Ų53.534%0.3426%0.264SS..Hα-helixtrans-62.4-35.3-179.8-69.6171.4000111.8F310 N343 E350 S351F310-L347 HydrophobicContact CD1-CB 4.04Å; F310-L347 HydrophobicContact CE1-CB 3.51Å; F310-L347 HydrophobicContact CE2-CB 4.37Å; F310-L347 HydrophobicContact CE2-CD1 4.48Å; F310-L347 HydrophobicContact CZ-CB 3.7Å; N343-L347 VanDerWaalsContact O-CG 3.29Å; N343-L347 WeakPolarHBondContact O-CG 3.46Å; N343-L347 PolarHBondContact O-N 3Å; L347-E350 PolarHBondContact O-N 3.02Å; L347-S351 PolarHBondContact O-N 3.36Å; L347-S351 PolarHBondContact O-OG 3.11Å
348A97Very high93.3Very high0 Ų053.4 Ų53.40%026%0.264CS..Hα-helixtrans-65.8-43.2177.300000112.7L333 F336 L337 L344 R345 Y346 E350 L352L333-A348 HydrophobicContact CB-CB 4.44Å; L333-A348 HydrophobicContact CD2-CB 4.36Å; F336-A348 HydrophobicContact CB-CB 3.58Å; L337-A348 HydrophobicContact CD2-CB 4.06Å; L344-A348 WeakPolarHBondContact O-CB 3.43Å; L344-A348 PolarHBondContact O-N 2.86Å; R345-A348 PolarHBondContact O-N 3.11Å; Y346-A348 VanDerWaalsContact C-N 3.26Å; Y346-A348 PolarHBondContact O-N 3.34Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-L352 VanDerWaalsContact O-CB 3.28Å; A348-L352 WeakPolarHBondContact O-CB 3.39Å; A348-L352 WeakPolarHBondContact O-CD1 3.27Å; A348-L352 WeakPolarHBondContact O-CG 3.36Å; A348-L352 PolarHBondContact O-N 3.15Å
349L97Very high92.9Very high1 Ų155 Ų551%0.00527%0.272CS..Hα-helixtrans-62.4-42.8174.3-70.1167000111.5L337 R345 Y346 L352 C353 I372 V384 R387 A388 L391L337-L349 HydrophobicContact CD2-CD2 3.49Å; L337-L349 VanDerWaalsContact CD2-CD2 3.49Å; L337-L349 HydrophobicContact CD2-CG 3.64Å; R345-L349 WeakPolarHBondContact O-CG 3.24Å; R345-L349 PolarHBondContact O-N 2.85Å; Y346-L349 PolarHBondContact O-N 3.17Å; L349-L352 PolarHBondContact O-N 2.9Å; L349-C353 PolarHBondContact O-N 2.81Å; L349-C353 PolarHBondContact O-SG 3.15Å; L349-I372 HydrophobicContact CD2-CG2 4.32Å; L349-V384 HydrophobicContact CD1-CG1 3.53Å; L349-V384 WeakPolarHBondContact CD1-O 3.33Å; L349-R387 HydrophobicContact CB-CB 3.74Å; L349-R387 HydrophobicContact CD1-CB 3.96Å; L349-R387 HydrophobicContact CG-CB 4.49Å; L349-A388 HydrophobicContact CD1-CB 4.3Å; L349-A388 HydrophobicContact CD2-CB 4.4Å; L349-L391 HydrophobicContact CD2-CD2 3.67Å
350E95Very high92.6Very high76 Ų7656.7 Ų56.736%0.35528%0.278SS..Hα-helixtrans-60.7-49.8177.7-177.5172.4-148.900111.8Y346 L347 A348 L352 C353Y346-E350 PolarHBondContact O-N 3.49Å; L347-E350 PolarHBondContact O-N 3.02Å; A348-E350 VanDerWaalsContact C-N 3.35Å; E350-L352 PolarHBondContact O-N 3.1Å; E350-C353 WeakPolarHBondContact O-CB 3.36Å; E350-C353 PolarHBondContact O-N 3.42Å
351S95Very high92.5Very high5 Ų547.3 Ų47.34%0.03524%0.238CC..Hα-helixtrans-66.8-33.7176.8-63.90000112.9L347 C353 L354 L355L347-S351 PolarHBondContact O-N 3.36Å; L347-S351 PolarHBondContact O-OG 3.11Å; S351-C353 VanDerWaalsContact C-N 3.3Å; S351-C353 PolarHBondContact O-N 2.81Å; S351-L354 PolarHBondContact O-N 2.64Å; S351-L355 PolarHBondContact O-N 3.12Å; S351-L355 VanDerWaalsContact O-N 3.12Å
352L97.2Very high92.4Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-66.9-30.7175-78.6167.6000112.3L333 L337 A348 L349 E350 L354 L355 A356 V365 L391L333-L352 HydrophobicContact CB-CD1 4.16Å; L333-L352 HydrophobicContact CB-CD2 3.93Å; L333-L352 HydrophobicContact CB-CG 3.8Å; L333-L352 HydrophobicContact CD1-CD2 4.07Å; L333-L352 HydrophobicContact CD1-CG 3.93Å; L337-L352 HydrophobicContact CD1-CD1 3.83Å; L337-L352 HydrophobicContact CD2-CD1 3.93Å; L337-L352 HydrophobicContact CG-CD1 4.04Å; A348-L352 VanDerWaalsContact O-CB 3.28Å; A348-L352 WeakPolarHBondContact O-CB 3.39Å; A348-L352 WeakPolarHBondContact O-CD1 3.27Å; A348-L352 WeakPolarHBondContact O-CG 3.36Å; A348-L352 PolarHBondContact O-N 3.15Å; L349-L352 PolarHBondContact O-N 2.9Å; E350-L352 PolarHBondContact O-N 3.1Å; L352-L354 VanDerWaalsContact C-N 3.28Å; L352-L354 PolarHBondContact O-N 3.35Å; L352-L355 HydrophobicContact CD2-CD1 4.22Å; L352-L355 PolarHBondContact O-N 2.77Å; L352-A356 WeakPolarHBondContact O-CB 3.42Å; L352-A356 PolarHBondContact O-N 2.81Å; L352-V365 HydrophobicContact CD2-CG2 4.17Å; L352-L391 HydrophobicContact CB-CD1 3.86Å; L352-L391 HydrophobicContact CB-CD2 3.62Å; L352-L391 HydrophobicContact CB-CG 4.42Å; L352-L391 HydrophobicContact CD1-CD2 3.99Å; L352-L391 HydrophobicContact CG-CD2 4.45Å; L352-L391 WeakPolarHBondContact O-CD1 3.35Å
353C94Very high92.3Very high22 Ų2248.3 Ų48.315%0.14924%0.239CC..Hα-helixtrans-60.9-41.5174.3-68.60000111L349 E350 S351 A356 L391L349-C353 PolarHBondContact O-N 2.81Å; L349-C353 PolarHBondContact O-SG 3.15Å; E350-C353 WeakPolarHBondContact O-CB 3.36Å; E350-C353 PolarHBondContact O-N 3.42Å; S351-C353 VanDerWaalsContact C-N 3.3Å; S351-C353 PolarHBondContact O-N 2.81Å; C353-A356 PolarHBondContact O-N 2.91Å; C353-L391 VanDerWaalsContact SG-CA 3.58Å
354L90.1Very high92.2Very high84 Ų8443 Ų4344%0.4421%0.211SC..Hα-helixtrans-71.8-31.9177.5-57.5175.4000112.4I317 S351 L352 T357I317-L354 HydrophobicContact CD1-CB 4.29Å; I317-L354 HydrophobicContact CG2-CB 3.79Å; S351-L354 PolarHBondContact O-N 2.64Å; L352-L354 VanDerWaalsContact C-N 3.28Å; L352-L354 PolarHBondContact O-N 3.35Å; L354-T357 PolarHBondContact O-OG1 3.24Å
355L91.7Very high92.2Very high0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-69.8-36.2172.1-78166.1000112I317 L326 C330 L333 S351 L352 T357 S358 S361 V365I317-L355 HydrophobicContact CD1-CD1 4.33Å; I317-L355 HydrophobicContact CD1-CD2 4.24Å; I317-L355 HydrophobicContact CD1-CG 3.8Å; I317-L355 HydrophobicContact CG1-CD2 3.59Å; I317-L355 HydrophobicContact CG1-CG 3.72Å; L326-L355 HydrophobicContact CB-CD2 4.46Å; L326-L355 HydrophobicContact CD2-CD2 3.58Å; C330-L355 HydrophobicContact CB-CD1 4.05Å; L333-L355 HydrophobicContact CD1-CD1 3.55Å; S351-L355 PolarHBondContact O-N 3.12Å; S351-L355 VanDerWaalsContact O-N 3.12Å; L352-L355 HydrophobicContact CD2-CD1 4.22Å; L352-L355 PolarHBondContact O-N 2.77Å; L355-T357 PolarHBondContact O-N 2.88Å; L355-T357 VanDerWaalsContact O-N 3.11Å; L355-S358 WeakPolarHBondContact O-CB 3.5Å; L355-S358 PolarHBondContact O-N 2.77Å; L355-S361 WeakPolarHBondContact CD2-OG 3.47Å; L355-S361 PolarHBondContact O-OG 3.05Å; L355-V365 HydrophobicContact CB-CG2 3.97Å
356A91Very high92.1Very high3 Ų341.9 Ų41.93%0.02521%0.207CC..Hα-helixtrans-61.2-22.3-178.900000113.1L352 C353 H362 V365 L391 A394 M395L352-A356 WeakPolarHBondContact O-CB 3.42Å; L352-A356 PolarHBondContact O-N 2.81Å; C353-A356 PolarHBondContact O-N 2.91Å; A356-H362 PolarHBondContact O-ND1 2.83Å; A356-V365 HydrophobicContact CB-CG1 4.27Å; A356-L391 HydrophobicContact CB-CD1 4.13Å; A356-A394 HydrophobicContact CB-CB 3.96Å; A356-M395 HydrophobicContact CB-CB 4.42Å
357T85.6Confident92Very high90 Ų9047 Ų4755%0.55223%0.23SC*.THydrogen-bonded Turntrans-82-13.3176.160.20000113.9L354 L355L354-T357 PolarHBondContact O-OG1 3.24Å; L355-T357 PolarHBondContact O-N 2.88Å; L355-T357 VanDerWaalsContact O-N 3.11Å
358S86.8Confident91.9Very high7 Ų745.3 Ų45.35%0.04922%0.221CC..SBendtrans-87.4129.1178.6162.30000111.3D320 L355 F360 S361 H362D320-S358 VanDerWaalsContact OD1-CB 3.26Å; D320-S358 WeakPolarHBondContact OD1-CB 3.38Å; D320-S358 PolarHBondContact OD1-OG 3.35Å; L355-S358 WeakPolarHBondContact O-CB 3.5Å; L355-S358 PolarHBondContact O-N 2.77Å; S358-F360 PolarHBondContact O-N 2.86Å; S358-F360 PolarHBondContact OG-N 3.14Å; S358-S361 PolarHBondContact O-N 2.88Å; S358-H362 WeakPolarHBondContact O-CB 3.14Å; S358-H362 PolarHBondContact O-N 2.8Å
359E84Confident91.9Very high177 Ų17747.2 Ų47.283%0.82723%0.23SC*.THydrogen-bonded Turntrans-59.8-33178.4-64.4-172.6170.300112.5S361E359-S361 VanDerWaalsContact C-N 3.32Å; E359-S361 PolarHBondContact O-N 2.85Å
360F86.4Confident91.8Very high106 Ų10654.3 Ų54.347%0.46526%0.263SS..THydrogen-bonded Turntrans-72.5-24.8-177.8-59.6-62.3000113.6D320 P323 L326 S358D320-F360 WeakPolarHBondContact O-CE2 3.46Å; P323-F360 HydrophobicContact CB-CB 4.23Å; P323-F360 HydrophobicContact CB-CD1 4.39Å; P323-F360 HydrophobicContact CB-CG 4.49Å; P323-F360 HydrophobicContact CG-CB 4.28Å; P323-F360 HydrophobicContact CG-CD1 3.7Å; P323-F360 HydrophobicContact CG-CE1 4.2Å; P323-F360 HydrophobicContact CG-CG 4Å; L326-F360 HydrophobicContact CD1-CB 3.84Å; L326-F360 HydrophobicContact CD1-CD2 4.09Å; L326-F360 HydrophobicContact CD1-CG 4.36Å; S358-F360 PolarHBondContact O-N 2.86Å; S358-F360 PolarHBondContact OG-N 3.14Å
361S88.8Confident91.8Very high0 Ų052 Ų520%025%0.254CS..THydrogen-bonded Turntrans-119.3-9.6-171.974.70000114.9L355 S358 E359 E363 A364 V365L355-S361 WeakPolarHBondContact CD2-OG 3.47Å; L355-S361 PolarHBondContact O-OG 3.05Å; S358-S361 PolarHBondContact O-N 2.88Å; E359-S361 VanDerWaalsContact C-N 3.32Å; E359-S361 PolarHBondContact O-N 2.85Å; S361-E363 VanDerWaalsContact C-N 3.3Å; S361-E363 PolarHBondContact O-N 2.88Å; S361-A364 WeakPolarHBondContact O-CA 3.49Å; S361-A364 WeakPolarHBondContact O-CB 3.49Å; S361-A364 PolarHBondContact O-N 3.33Å; S361-V365 PolarHBondContact O-N 2.83Å
362H89.9Confident91.8Very high36 Ų3651.7 Ų51.717%0.16725%0.252CS..Hα-helixtrans-49.3-48177.9-168.880.5000113A356 S358 A364 V365 K366A356-H362 PolarHBondContact O-ND1 2.83Å; S358-H362 WeakPolarHBondContact O-CB 3.14Å; S358-H362 PolarHBondContact O-N 2.8Å; H362-A364 VanDerWaalsContact C-N 3.3Å; H362-A364 PolarHBondContact O-N 2.77Å; H362-V365 PolarHBondContact O-N 3.33Å; H362-K366 VanDerWaalsContact CD2-CE 3.46Å; H362-K366 WeakPolarHBondContact CD2-CE 3.5Å; H362-K366 VanDerWaalsContact NE2-CE 3.25Å; H362-K366 WeakPolarHBondContact NE2-CE 3.3Å; H362-K366 PolarHBondContact O-N 3.02Å
363E91.3Very high91.7Very high116 Ų11652.2 Ų52.254%0.54226%0.255SS..Hα-helixtrans-65.8-29.1177.4-70.5-55.7125.100113.8S361 K366S361-E363 VanDerWaalsContact C-N 3.3Å; S361-E363 PolarHBondContact O-N 2.88Å; E363-K366 IonicContact OE1-NZ 2.63Å; E363-K366 PolarHBondContact OE1-NZ 3.06Å
364A92.2Very high91.7Very high6 Ų654.8 Ų54.85%0.0527%0.267CS..Hα-helixtrans-73.5-38.3175.100000111.4V327 C330 S361 H362 K366 K367V327-A364 HydrophobicContact CG1-CB 4.26Å; V327-A364 HydrophobicContact CG2-CB 4.16Å; C330-A364 HydrophobicContact CB-CB 4.18Å; C330-A364 VanDerWaalsContact SG-C 3.54Å; S361-A364 WeakPolarHBondContact O-CA 3.49Å; S361-A364 WeakPolarHBondContact O-CB 3.49Å; S361-A364 PolarHBondContact O-N 3.33Å; H362-A364 VanDerWaalsContact C-N 3.3Å; H362-A364 PolarHBondContact O-N 2.77Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.09Å; A364-K367 WeakPolarHBondContact O-CB 3.43Å; A364-K367 PolarHBondContact O-N 2.86Å
365V94.2Very high91.8Very high0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-62.5-40.3176.6178.30000110.8C330 L352 L355 A356 S361 H362 K367 H368 L391 M395C330-V365 PolarHBondContact SG-N 2.81Å; L352-V365 HydrophobicContact CD2-CG2 4.17Å; L355-V365 HydrophobicContact CB-CG2 3.97Å; A356-V365 HydrophobicContact CB-CG1 4.27Å; S361-V365 PolarHBondContact O-N 2.83Å; H362-V365 PolarHBondContact O-N 3.33Å; V365-K367 PolarHBondContact O-N 3.3Å; V365-H368 PolarHBondContact O-N 3.31Å; V365-L391 HydrophobicContact CG1-CD1 3.99Å; V365-M395 HydrophobicContact CG1-CB 4.27Å; V365-M395 HydrophobicContact CG1-CE 4.44Å
366K94Very high91.9Very high25 Ų2551.4 Ų51.411%0.10925%0.251CS..Hα-helixtrans-55.5-32176.6-74.5-178.5-176.4165.90114.4H362 E363 A364 H368 Q369 M395 D397 T399H362-K366 VanDerWaalsContact CD2-CE 3.46Å; H362-K366 WeakPolarHBondContact CD2-CE 3.5Å; H362-K366 VanDerWaalsContact NE2-CE 3.25Å; H362-K366 WeakPolarHBondContact NE2-CE 3.3Å; H362-K366 PolarHBondContact O-N 3.02Å; E363-K366 IonicContact OE1-NZ 2.63Å; E363-K366 PolarHBondContact OE1-NZ 3.06Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.09Å; K366-H368 PolarHBondContact O-N 2.88Å; K366-Q369 VanDerWaalsContact O-CB 3.26Å; K366-Q369 WeakPolarHBondContact O-CB 3.34Å; K366-Q369 PolarHBondContact O-N 3.41Å; K366-M395 HydrophobicContact CB-CE 4.4Å; K366-M395 HydrophobicContact CG-CE 4.22Å; K366-D397 WeakPolarHBondContact CE-OD2 3.39Å; K366-D397 IonicContact NZ-OD1 3.6Å; K366-D397 PolarHBondContact NZ-OD1 3.25Å; K366-D397 IonicContact NZ-OD2 2.73Å; K366-D397 PolarHBondContact NZ-OD2 3.34Å; K366-T399 PolarHBondContact NZ-OG1 3.48Å
367K94.3Very high92Very high167 Ų16755.2 Ų55.273%0.72627%0.268SS*.THydrogen-bonded Turntrans-62.5-16.8176.6-62.6178.8-178177.10113.2A364 V365A364-K367 WeakPolarHBondContact O-CB 3.43Å; A364-K367 PolarHBondContact O-N 2.86Å; V365-K367 PolarHBondContact O-N 3.3Å
368H95.3Very high92.2Very high30 Ų3055.3 Ų55.314%0.13927%0.272CS..THydrogen-bonded Turntrans-99.55.6176.9-60.2-61.9000113.8L337 V365 K366 E370 T371 I372L337-H368 HydrophobicContact CD1-CB 4.28Å; V365-H368 PolarHBondContact O-N 3.31Å; K366-H368 PolarHBondContact O-N 2.88Å; H368-E370 VanDerWaalsContact C-N 3.34Å; H368-E370 PolarHBondContact O-N 2.99Å; H368-T371 WeakPolarHBondContact O-CB 3.47Å; H368-T371 PolarHBondContact O-N 3.26Å; H368-I372 HydrophobicContact CB-CD1 4.12Å; H368-I372 WeakPolarHBondContact O-CD1 3.31Å; H368-I372 VanDerWaalsContact O-CG1 3.28Å; H368-I372 WeakPolarHBondContact O-CG1 3.47Å; H368-I372 PolarHBondContact O-N 2.98Å
369Q95.5Very high92.4Very high40 Ų4056.1 Ų56.119%0.18728%0.275CS..Hα-helixtrans-50.9-48.6-176.4-176.1175.8-42.100112.9K366 T371 I372 V373 L392 M395 N400K366-Q369 VanDerWaalsContact O-CB 3.26Å; K366-Q369 WeakPolarHBondContact O-CB 3.34Å; K366-Q369 PolarHBondContact O-N 3.41Å; Q369-T371 VanDerWaalsContact C-N 3.33Å; Q369-T371 PolarHBondContact O-N 3.28Å; Q369-I372 PolarHBondContact O-N 3.18Å; Q369-I372 VanDerWaalsContact O-N 3.11Å; Q369-V373 HydrophobicContact CG-CG2 4.42Å; Q369-V373 WeakPolarHBondContact O-CG2 3.32Å; Q369-V373 PolarHBondContact O-N 2.85Å; Q369-L392 HydrophobicContact CG-CD2 4.48Å; Q369-M395 HydrophobicContact CB-CE 3.64Å; Q369-M395 HydrophobicContact CG-CE 4.04Å; Q369-N400 PolarHBondContact OE1-ND2 3.35Å
370E94.9Very high92.7Very high150 Ų15058.6 Ų58.670%0.70128%0.276SS*.Hα-helixtrans-60-43-179.9-171.9-176.2174.100111.9H368 I372 V373 N374H368-E370 VanDerWaalsContact C-N 3.34Å; H368-E370 PolarHBondContact O-N 2.99Å; E370-I372 VanDerWaalsContact C-N 3.3Å; E370-I372 PolarHBondContact O-N 3.3Å; E370-V373 PolarHBondContact O-N 2.96Å; E370-N374 WeakPolarHBondContact O-CB 3.4Å; E370-N374 VanDerWaalsContact O-CG 3.26Å; E370-N374 PolarHBondContact O-N 3.31Å; E370-N374 PolarHBondContact O-ND2 3.37Å
371T94.8Very high92.9Very high27 Ų2756.6 Ų56.617%0.16627%0.27CS..Hα-helixtrans-64.1-36.5176.4-55.40000111.8L337 Q338 H368 Q369 N374 A375L337-T371 HydrophobicContact CB-CG2 3.66Å; L337-T371 HydrophobicContact CD1-CG2 4Å; Q338-T371 HydrophobicContact CG-CG2 3.73Å; H368-T371 WeakPolarHBondContact O-CB 3.47Å; H368-T371 PolarHBondContact O-N 3.26Å; Q369-T371 VanDerWaalsContact C-N 3.33Å; Q369-T371 PolarHBondContact O-N 3.28Å; T371-N374 PolarHBondContact O-N 2.97Å; T371-A375 PolarHBondContact O-N 3.35Å
372I96.4Very high92.8Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-71.8-41.6178.8-59.8157.8000110.6L337 L349 H368 Q369 E370 N374 A375 L376 A388 L391 L392 M395L337-I372 HydrophobicContact CD1-CG1 3.76Å; L349-I372 HydrophobicContact CD2-CG2 4.32Å; H368-I372 HydrophobicContact CB-CD1 4.12Å; H368-I372 WeakPolarHBondContact O-CD1 3.31Å; H368-I372 VanDerWaalsContact O-CG1 3.28Å; H368-I372 WeakPolarHBondContact O-CG1 3.47Å; H368-I372 PolarHBondContact O-N 2.98Å; Q369-I372 PolarHBondContact O-N 3.18Å; Q369-I372 VanDerWaalsContact O-N 3.11Å; E370-I372 VanDerWaalsContact C-N 3.3Å; E370-I372 PolarHBondContact O-N 3.3Å; I372-N374 VanDerWaalsContact C-N 3.31Å; I372-N374 PolarHBondContact O-N 3.18Å; I372-A375 WeakPolarHBondContact O-CB 3.33Å; I372-A375 PolarHBondContact O-N 3.13Å; I372-A375 VanDerWaalsContact O-N 3.14Å; I372-L376 PolarHBondContact O-N 3.45Å; I372-A388 HydrophobicContact CG2-CB 4.2Å; I372-L391 HydrophobicContact CD1-CD2 3.4Å; I372-L391 VanDerWaalsContact CD1-CD2 3.4Å; I372-L391 HydrophobicContact CD1-CG 3.88Å; I372-L391 HydrophobicContact CG1-CD2 3.74Å; I372-L391 HydrophobicContact CG2-CB 4.34Å; I372-L391 HydrophobicContact CG2-CD2 4.05Å; I372-L391 HydrophobicContact CG2-CG 4.27Å; I372-L392 HydrophobicContact CB-CD2 4.34Å; I372-L392 HydrophobicContact CG2-CD1 4.45Å; I372-L392 HydrophobicContact CG2-CD2 3.89Å; I372-L392 HydrophobicContact CG2-CG 3.75Å; I372-M395 HydrophobicContact CD1-CE 4.18Å; I372-M395 HydrophobicContact CD1-SD 3.72Å
373V95.6Very high92.9Very high10 Ų1059.9 Ų59.96%0.06130%0.296CS..Hα-helixtrans-61.1-42.2172.8172.30000110.6Q369 E370 A375 L376 K377 L392 E407Q369-V373 HydrophobicContact CG-CG2 4.42Å; Q369-V373 WeakPolarHBondContact O-CG2 3.32Å; Q369-V373 PolarHBondContact O-N 2.85Å; E370-V373 PolarHBondContact O-N 2.96Å; V373-A375 VanDerWaalsContact C-N 3.32Å; V373-A375 PolarHBondContact O-N 2.96Å; V373-L376 WeakPolarHBondContact O-CB 3.49Å; V373-L376 PolarHBondContact O-N 3.38Å; V373-K377 HydrophobicContact CG1-CD 4.21Å; V373-K377 WeakPolarHBondContact O-CG 3.49Å; V373-K377 PolarHBondContact O-N 3.24Å; V373-K377 VanDerWaalsContact O-N 3.07Å; V373-L392 HydrophobicContact CG2-CD1 4.38Å; V373-L392 HydrophobicContact CG2-CD2 3.91Å; V373-E407 HydrophobicContact CG1-CB 4.1Å; V373-E407 HydrophobicContact CG1-CG 4.02Å; V373-E407 HydrophobicContact CG2-CB 4.33Å; V373-E407 HydrophobicContact CG2-CG 4.28Å
374N93.3Very high92.9Very high76 Ų7654.5 Ų54.541%0.40627%0.27SS..Hα-helixtrans-63-38.7174.2-73.7-28.2000111.8E370 T371 I372 K377 S378E370-N374 WeakPolarHBondContact O-CB 3.4Å; E370-N374 VanDerWaalsContact O-CG 3.26Å; E370-N374 PolarHBondContact O-N 3.31Å; E370-N374 PolarHBondContact O-ND2 3.37Å; T371-N374 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact C-N 3.31Å; I372-N374 PolarHBondContact O-N 3.18Å; N374-K377 PolarHBondContact O-N 3.21Å; N374-S378 VanDerWaalsContact O-CB 3.32Å; N374-S378 WeakPolarHBondContact O-CB 3.37Å; N374-S378 PolarHBondContact O-N 2.96Å; N374-S378 PolarHBondContact O-OG 2.86Å
375A92.8Very high93Very high13 Ų1356 Ų5611%0.10728%0.275CS..Hα-helixtrans-63.7-40.1174.200000112T371 I372 V373 K377 E379 A388T371-A375 PolarHBondContact O-N 3.35Å; I372-A375 WeakPolarHBondContact O-CB 3.33Å; I372-A375 PolarHBondContact O-N 3.13Å; I372-A375 VanDerWaalsContact O-N 3.14Å; V373-A375 VanDerWaalsContact C-N 3.32Å; V373-A375 PolarHBondContact O-N 2.96Å; A375-K377 PolarHBondContact O-N 3.48Å; A375-E379 WeakPolarHBondContact O-CB 3.42Å; A375-E379 PolarHBondContact O-N 3.4Å; A375-A388 HydrophobicContact CB-CB 4.45Å
376L93.5Very high92.9Very high0 Ų058.8 Ų58.80%029%0.288CS..Hα-helixtrans-59-45.6174.2175.960.2000111.9I372 V373 R385 A388 V389 L392 Y411I372-L376 PolarHBondContact O-N 3.45Å; V373-L376 WeakPolarHBondContact O-CB 3.49Å; V373-L376 PolarHBondContact O-N 3.38Å; L376-R385 HydrophobicContact CD1-CB 4.3Å; L376-R385 WeakPolarHBondContact O-CD 3.43Å; L376-R385 WeakPolarHBondContact O-CG 3.33Å; L376-A388 HydrophobicContact CB-CB 4.05Å; L376-V389 HydrophobicContact CD1-CG2 3.38Å; L376-V389 HydrophobicContact CD2-CG2 4.34Å; L376-V389 HydrophobicContact CG-CG2 4.49Å; L376-L392 HydrophobicContact CD2-CD1 3.78Å; L376-Y411 HydrophobicContact CD1-CD1 3.6Å; L376-Y411 HydrophobicContact CD1-CE1 3.5Å; L376-Y411 VanDerWaalsContact CD1-CE1 3.5Å; L376-Y411 HydrophobicContact CD1-CG 4.46Å; L376-Y411 HydrophobicContact CD2-CD1 3.9Å; L376-Y411 HydrophobicContact CD2-CG 4.28Å; L376-Y411 HydrophobicContact CG-CD1 3.61Å; L376-Y411 HydrophobicContact CG-CE1 3.95Å; L376-Y411 HydrophobicContact CG-CG 4.01Å
377K92.2Very high92.9Very high84 Ų8461.3 Ų61.337%0.36530%0.297SS..Hα-helixtrans-82.2-39.1-172.9-67.1179.9179.2-174.60114.5V373 N374 A375 E407 Y411V373-K377 HydrophobicContact CG1-CD 4.21Å; V373-K377 WeakPolarHBondContact O-CG 3.49Å; V373-K377 PolarHBondContact O-N 3.24Å; V373-K377 VanDerWaalsContact O-N 3.07Å; N374-K377 PolarHBondContact O-N 3.21Å; A375-K377 PolarHBondContact O-N 3.48Å; K377-E407 WeakPolarHBondContact CE-OE2 3.46Å; K377-E407 IonicContact NZ-OE2 2.96Å; K377-E407 PolarHBondContact NZ-OE2 3.24Å; K377-Y411 HydrophobicContact CG-CD2 4.19Å
378S89.7Confident93Very high91 Ų9153.3 Ų53.364%0.63626%0.262SS*.Hα-helixtrans-104.6-19.7-165.969.90000115N374N374-S378 VanDerWaalsContact O-CB 3.32Å; N374-S378 WeakPolarHBondContact O-CB 3.37Å; N374-S378 PolarHBondContact O-N 2.96Å; N374-S378 PolarHBondContact O-OG 2.86Å
379E91.5Very high92.9Very high24 Ų2452 Ų5211%0.11226%0.256CS..  trans-65.1149.3-179.1-175.154.9-102.300110.9R345 A375 D381 V384 R385R345-E379 IonicContact CZ-OE2 2.68Å; R345-E379 IonicContact NE-OE2 3.96Å; R345-E379 PolarHBondContact NE-OE2 3.09Å; R345-E379 IonicContact NH2-OE1 3.2Å; R345-E379 PolarHBondContact NH2-OE1 2.84Å; R345-E379 VanDerWaalsContact NH2-OE1 3.16Å; R345-E379 IonicContact NH2-OE2 3.61Å; R345-E379 PolarHBondContact NH2-OE2 3.27Å; A375-E379 WeakPolarHBondContact O-CB 3.42Å; A375-E379 PolarHBondContact O-N 3.4Å; E379-D381 HydrophobicContact CG-CB 4.36Å; E379-V384 HydrophobicContact CB-CG1 4.49Å; E379-V384 HydrophobicContact CG-CB 3.69Å; E379-V384 HydrophobicContact CG-CG1 3.67Å; E379-V384 HydrophobicContact CG-CG2 4.39Å; E379-R385 HydrophobicContact CB-CG 4.13Å; E379-R385 PolarHBondContact O-NE 3.11Å; E379-R385 PolarHBondContact O-NH2 3.34Å
380R90Very high92.9Very high229 Ų22951.2 Ų51.286%0.86425%0.253SS*.SBendtrans-92-27.8178.6-64-177.8-176.8179.30.2112.9
381D90.2Very high92.9Very high64 Ų6444 Ų4434%0.34222%0.22SC..  trans-81.8118.3-178.5-167.2-44.8000111.3T342 E379 S383 V384 R385T342-D381 HydrophobicContact CG2-CB 4.02Å; E379-D381 HydrophobicContact CG-CB 4.36Å; D381-S383 VanDerWaalsContact C-N 3.25Å; D381-S383 PolarHBondContact O-N 2.98Å; D381-S383 WeakPolarHBondContact OD1-CA 3.48Å; D381-S383 WeakPolarHBondContact OD1-CB 3.13Å; D381-S383 PolarHBondContact OD1-N 2.87Å; D381-S383 PolarHBondContact OD1-OG 3.1Å; D381-V384 HydrophobicContact CB-CB 4.24Å; D381-V384 HydrophobicContact CB-CG2 3.86Å; D381-V384 PolarHBondContact O-N 3.38Å; D381-R385 PolarHBondContact O-N 3.43Å; D381-R385 VanDerWaalsContact O-N 3.12Å
382V88.1Confident93Very high52 Ų5242.8 Ų42.832%0.31521%0.212SC..Hα-helixtrans-57.5-37.4179.1176.80000111.8V384 R385 Q386 I419V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.45Å; V382-R385 PolarHBondContact O-N 3.01Å; V382-Q386 WeakPolarHBondContact O-CG 2.95Å; V382-Q386 PolarHBondContact O-N 2.85Å; V382-I419 HydrophobicContact CG1-CD1 3.84Å; V382-I419 HydrophobicContact CG1-CG1 3.87Å
383S90.7Very high92.9Very high54 Ų5444.7 Ų44.738%0.37822%0.219SC..Hα-helixtrans-66.1-38.2-179.1-29.30000111.4D381 Q386 R387D381-S383 VanDerWaalsContact C-N 3.25Å; D381-S383 PolarHBondContact O-N 2.98Å; D381-S383 WeakPolarHBondContact OD1-CA 3.48Å; D381-S383 WeakPolarHBondContact OD1-CB 3.13Å; D381-S383 PolarHBondContact OD1-N 2.87Å; D381-S383 PolarHBondContact OD1-OG 3.1Å; S383-Q386 PolarHBondContact O-N 2.96Å; S383-R387 WeakPolarHBondContact O-CG 3.25Å; S383-R387 PolarHBondContact O-N 3.46Å; S383-R387 VanDerWaalsContact O-N 3.12Å
384V92.8Very high92.8Very high2 Ų245.8 Ų45.81%0.01223%0.23CC..Hα-helixtrans-69.9-40.3176.2-179.10000110.3T342 Y346 L349 E379 D381 V382 Q386 R387 A388T342-V384 HydrophobicContact CG2-CG2 3.75Å; Y346-V384 HydrophobicContact CD2-CG2 4.19Å; L349-V384 HydrophobicContact CD1-CG1 3.53Å; L349-V384 WeakPolarHBondContact CD1-O 3.33Å; E379-V384 HydrophobicContact CB-CG1 4.49Å; E379-V384 HydrophobicContact CG-CB 3.69Å; E379-V384 HydrophobicContact CG-CG1 3.67Å; E379-V384 HydrophobicContact CG-CG2 4.39Å; D381-V384 HydrophobicContact CB-CB 4.24Å; D381-V384 HydrophobicContact CB-CG2 3.86Å; D381-V384 PolarHBondContact O-N 3.38Å; V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.45Å; V384-Q386 PolarHBondContact O-N 3.05Å; V384-R387 PolarHBondContact O-N 3.25Å; V384-A388 PolarHBondContact O-N 3.09Å
385R93.4Very high92.7Very high38 Ų3842.2 Ų42.214%0.14321%0.21CC..Hα-helixtrans-61.6-42.1173.8-63.4-173.1-166.6155.1-1.5111.9L376 E379 D381 V382 R387 A388 V389 Y411 D416 I419L376-R385 HydrophobicContact CD1-CB 4.3Å; L376-R385 WeakPolarHBondContact O-CD 3.43Å; L376-R385 WeakPolarHBondContact O-CG 3.33Å; E379-R385 HydrophobicContact CB-CG 4.13Å; E379-R385 PolarHBondContact O-NE 3.11Å; E379-R385 PolarHBondContact O-NH2 3.34Å; D381-R385 PolarHBondContact O-N 3.43Å; D381-R385 VanDerWaalsContact O-N 3.12Å; V382-R385 PolarHBondContact O-N 3.01Å; R385-R387 VanDerWaalsContact C-N 3.33Å; R385-R387 PolarHBondContact O-N 3.38Å; R385-A388 WeakPolarHBondContact O-CB 2.94Å; R385-A388 PolarHBondContact O-N 3.3Å; R385-A388 VanDerWaalsContact O-N 3.11Å; R385-V389 WeakPolarHBondContact O-CG2 3.4Å; R385-V389 PolarHBondContact O-N 3.48Å; R385-Y411 WeakPolarHBondContact CD-OH 3.39Å; R385-Y411 PolarHBondContact NH1-OH 2.93Å; R385-D416 IonicContact NH1-OD2 3.87Å; R385-D416 PolarHBondContact NH1-OD2 3.21Å; R385-I419 HydrophobicContact CB-CD1 3.66Å
386Q92.2Very high92.8Very high59 Ų5941.6 Ų41.628%0.27621%0.205SC..Hα-helixtrans-57.5-45.8174.2-75.4175.9-3400111.6V382 S383 V384 A388 V389 D390 I419V382-Q386 WeakPolarHBondContact O-CG 2.95Å; V382-Q386 PolarHBondContact O-N 2.85Å; S383-Q386 PolarHBondContact O-N 2.96Å; V384-Q386 PolarHBondContact O-N 3.05Å; Q386-A388 VanDerWaalsContact C-N 3.31Å; Q386-A388 PolarHBondContact O-N 2.64Å; Q386-V389 WeakPolarHBondContact O-CB 3.13Å; Q386-V389 PolarHBondContact O-N 3.09Å; Q386-V389 VanDerWaalsContact O-N 3.12Å; Q386-D390 PolarHBondContact O-N 2.96Å; Q386-I419 HydrophobicContact CG-CD1 4.36Å; Q386-I419 HydrophobicContact CG-CG1 3.94Å
387R93.7Very high92.6Very high77 Ų7743.1 Ų43.129%0.29121%0.214SC..Hα-helixtrans-64.1-32.8174.8-66.3-62.2177.4-1453.8113.4Y346 L349 S383 V384 R385 D390 L391Y346-R387 HydrophobicContact CD2-CG 3.94Å; Y346-R387 HydrophobicContact CE2-CG 3.51Å; Y346-R387 PolarHBondContact OH-NE 2.88Å; Y346-R387 PolarHBondContact OH-NH2 3.29Å; Y346-R387 VanDerWaalsContact OH-NH2 3.12Å; L349-R387 HydrophobicContact CB-CB 3.74Å; L349-R387 HydrophobicContact CD1-CB 3.96Å; L349-R387 HydrophobicContact CG-CB 4.49Å; S383-R387 WeakPolarHBondContact O-CG 3.25Å; S383-R387 PolarHBondContact O-N 3.46Å; S383-R387 VanDerWaalsContact O-N 3.12Å; V384-R387 PolarHBondContact O-N 3.25Å; R385-R387 VanDerWaalsContact C-N 3.33Å; R385-R387 PolarHBondContact O-N 3.38Å; R387-D390 IonicContact CZ-OD2 3.08Å; R387-D390 IonicContact NH1-OD2 2.7Å; R387-D390 PolarHBondContact NH1-OD2 3.44Å; R387-D390 WeakPolarHBondContact O-CB 3.43Å; R387-D390 PolarHBondContact O-N 3.22Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 3.26Å
388A95.9Very high92.5Very high0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-65.8-39.9172.500000111.5L349 I372 A375 L376 V384 R385 Q386 L391 L392L349-A388 HydrophobicContact CD1-CB 4.3Å; L349-A388 HydrophobicContact CD2-CB 4.4Å; I372-A388 HydrophobicContact CG2-CB 4.2Å; A375-A388 HydrophobicContact CB-CB 4.45Å; L376-A388 HydrophobicContact CB-CB 4.05Å; V384-A388 PolarHBondContact O-N 3.09Å; R385-A388 WeakPolarHBondContact O-CB 2.94Å; R385-A388 PolarHBondContact O-N 3.3Å; R385-A388 VanDerWaalsContact O-N 3.11Å; Q386-A388 VanDerWaalsContact C-N 3.31Å; Q386-A388 PolarHBondContact O-N 2.64Å; A388-L391 PolarHBondContact O-N 2.98Å; A388-L392 WeakPolarHBondContact O-CB 3.46Å; A388-L392 VanDerWaalsContact O-CG 3.27Å; A388-L392 WeakPolarHBondContact O-CG 3.34Å; A388-L392 PolarHBondContact O-N 2.82Å
389V94.5Very high92.6Very high2 Ų249.6 Ų49.61%0.01223%0.234CC..Hα-helixtrans-64.6-43.4173.1-178.90000111.4L376 R385 Q386 L391 L392 Y393 M408 I419 M423 K426L376-V389 HydrophobicContact CD1-CG2 3.38Å; L376-V389 HydrophobicContact CD2-CG2 4.34Å; L376-V389 HydrophobicContact CG-CG2 4.49Å; R385-V389 WeakPolarHBondContact O-CG2 3.4Å; R385-V389 PolarHBondContact O-N 3.48Å; Q386-V389 WeakPolarHBondContact O-CB 3.13Å; Q386-V389 PolarHBondContact O-N 3.09Å; Q386-V389 VanDerWaalsContact O-N 3.12Å; V389-L391 VanDerWaalsContact C-N 3.32Å; V389-L391 PolarHBondContact O-N 3.01Å; V389-L392 PolarHBondContact O-N 3.26Å; V389-Y393 WeakPolarHBondContact O-CB 3.29Å; V389-Y393 PolarHBondContact O-N 2.98Å; V389-M408 HydrophobicContact CG1-CE 4.13Å; V389-I419 HydrophobicContact CG2-CG2 4.17Å; V389-M423 HydrophobicContact CG1-CB 4.49Å; V389-M423 HydrophobicContact CG1-CG 4.24Å; V389-M423 HydrophobicContact CG2-SD 4.06Å; V389-K426 HydrophobicContact CG1-CD 3.61Å
390D94.5Very high92.6Very high23 Ų2349 Ų4912%0.12323%0.232CC..Hα-helixtrans-53.8-49.3172.8-75-31.6000111.3Q386 R387 Y393 A394 K426Q386-D390 PolarHBondContact O-N 2.96Å; R387-D390 IonicContact CZ-OD2 3.08Å; R387-D390 IonicContact NH1-OD2 2.7Å; R387-D390 PolarHBondContact NH1-OD2 3.44Å; R387-D390 WeakPolarHBondContact O-CB 3.43Å; R387-D390 PolarHBondContact O-N 3.22Å; D390-Y393 WeakPolarHBondContact O-CB 3.48Å; D390-Y393 PolarHBondContact O-N 3.03Å; D390-A394 WeakPolarHBondContact O-CB 3.28Å; D390-A394 PolarHBondContact O-N 2.96Å; D390-K426 IonicContact OD1-NZ 2.81Å; D390-K426 PolarHBondContact OD1-NZ 3.45Å
391L96.2Very high92.8Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-66.9-44.9-178-178.153.5000112.1L349 L352 C353 A356 V365 I372 R387 A388 V389 Y393 A394 M395L349-L391 HydrophobicContact CD2-CD2 3.67Å; L352-L391 HydrophobicContact CB-CD1 3.86Å; L352-L391 HydrophobicContact CB-CD2 3.62Å; L352-L391 HydrophobicContact CB-CG 4.42Å; L352-L391 HydrophobicContact CD1-CD2 3.99Å; L352-L391 HydrophobicContact CG-CD2 4.45Å; L352-L391 WeakPolarHBondContact O-CD1 3.35Å; C353-L391 VanDerWaalsContact SG-CA 3.58Å; A356-L391 HydrophobicContact CB-CD1 4.13Å; V365-L391 HydrophobicContact CG1-CD1 3.99Å; I372-L391 HydrophobicContact CD1-CD2 3.4Å; I372-L391 VanDerWaalsContact CD1-CD2 3.4Å; I372-L391 HydrophobicContact CD1-CG 3.88Å; I372-L391 HydrophobicContact CG1-CD2 3.74Å; I372-L391 HydrophobicContact CG2-CB 4.34Å; I372-L391 HydrophobicContact CG2-CD2 4.05Å; I372-L391 HydrophobicContact CG2-CG 4.27Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 3.26Å; A388-L391 PolarHBondContact O-N 2.98Å; V389-L391 VanDerWaalsContact C-N 3.32Å; V389-L391 PolarHBondContact O-N 3.01Å; L391-Y393 PolarHBondContact O-N 3.33Å; L391-A394 PolarHBondContact O-N 3.33Å; L391-A394 VanDerWaalsContact O-N 3.16Å; L391-M395 HydrophobicContact CG-SD 4.41Å; L391-M395 WeakPolarHBondContact O-CB 3.48Å; L391-M395 VanDerWaalsContact O-CG 3.23Å; L391-M395 WeakPolarHBondContact O-CG 3.44Å; L391-M395 PolarHBondContact O-N 3.11Å
392L95.9Very high92.9Very high0 Ų040.4 Ų40.40%020%0.2CC..Hα-helixtrans-59.9-37.3175.8-73.3171.4000111.5Q369 I372 V373 L376 A388 V389 M395 C396 I404 M408Q369-L392 HydrophobicContact CG-CD2 4.48Å; I372-L392 HydrophobicContact CB-CD2 4.34Å; I372-L392 HydrophobicContact CG2-CD1 4.45Å; I372-L392 HydrophobicContact CG2-CD2 3.89Å; I372-L392 HydrophobicContact CG2-CG 3.75Å; V373-L392 HydrophobicContact CG2-CD1 4.38Å; V373-L392 HydrophobicContact CG2-CD2 3.91Å; L376-L392 HydrophobicContact CD2-CD1 3.78Å; A388-L392 WeakPolarHBondContact O-CB 3.46Å; A388-L392 VanDerWaalsContact O-CG 3.27Å; A388-L392 WeakPolarHBondContact O-CG 3.34Å; A388-L392 PolarHBondContact O-N 2.82Å; V389-L392 PolarHBondContact O-N 3.26Å; L392-M395 HydrophobicContact CD2-SD 3.95Å; L392-C396 VanDerWaalsContact O-CB 3.29Å; L392-C396 WeakPolarHBondContact O-CB 3.48Å; L392-C396 PolarHBondContact O-N 3.39Å; L392-I404 HydrophobicContact CB-CG2 3.96Å; L392-I404 HydrophobicContact CD2-CD1 4.49Å; L392-I404 HydrophobicContact CD2-CG1 4.36Å; L392-I404 HydrophobicContact CD2-CG2 4.41Å; L392-M408 HydrophobicContact CB-CE 3.37Å; L392-M408 HydrophobicContact CD1-CE 4.13Å; L392-M408 HydrophobicContact CG-CE 4.4Å
393Y94.3Very high93.2Very high40 Ų4040.4 Ų40.416%0.15721%0.205CC..Hα-helixtrans-66.5-44.4173.9176.9-93.4000112.1V389 D390 L391 C396 K426 I429 L430 L615V389-Y393 WeakPolarHBondContact O-CB 3.29Å; V389-Y393 PolarHBondContact O-N 2.98Å; D390-Y393 WeakPolarHBondContact O-CB 3.48Å; D390-Y393 PolarHBondContact O-N 3.03Å; L391-Y393 PolarHBondContact O-N 3.33Å; Y393-C396 WeakPolarHBondContact O-CB 3.21Å; Y393-C396 PolarHBondContact O-N 3.34Å; Y393-K426 HydrophobicContact CD2-CB 3.75Å; Y393-K426 HydrophobicContact CD2-CD 4.19Å; Y393-K426 HydrophobicContact CD2-CG 3.66Å; Y393-K426 HydrophobicContact CE2-CB 4.31Å; Y393-K426 HydrophobicContact CE2-CG 4.13Å; Y393-K426 HydrophobicContact CG-CB 4.49Å; Y393-K426 HydrophobicContact CG-CD 4.13Å; Y393-K426 HydrophobicContact CG-CG 4.07Å; Y393-I429 HydrophobicContact CE2-CB 4.34Å; Y393-I429 HydrophobicContact CE2-CG2 4.09Å; Y393-L430 HydrophobicContact CD2-CD1 3.88Å; Y393-L430 HydrophobicContact CD2-CD2 3.62Å; Y393-L430 HydrophobicContact CD2-CG 3.63Å; Y393-L430 HydrophobicContact CE2-CD2 3.75Å; Y393-L430 HydrophobicContact CE2-CG 3.92Å; Y393-L430 HydrophobicContact CG-CD2 4.44Å; Y393-L615 HydrophobicContact CE1-CD2 4.32Å; Y393-L615 HydrophobicContact CE2-CD1 4.47Å
394A92.6Very high93.4Very high34 Ų3437.8 Ų37.828%0.28119%0.187SC..Hα-helixtrans-68.8-36.7-178.900000113.4A356 D390 L391 C396A356-A394 HydrophobicContact CB-CB 3.96Å; D390-A394 WeakPolarHBondContact O-CB 3.28Å; D390-A394 PolarHBondContact O-N 2.96Å; L391-A394 PolarHBondContact O-N 3.33Å; L391-A394 VanDerWaalsContact O-N 3.16Å; A394-C396 VanDerWaalsContact C-N 3.3Å
395M92.7Very high93.5Very high0 Ų037.8 Ų37.80%019%0.187CC..THydrogen-bonded Turntrans-84.2-2.4179.675.1-171.8-69.200114.2A356 V365 K366 Q369 I372 L391 L392 N400 I404A356-M395 HydrophobicContact CB-CB 4.42Å; V365-M395 HydrophobicContact CG1-CB 4.27Å; V365-M395 HydrophobicContact CG1-CE 4.44Å; K366-M395 HydrophobicContact CB-CE 4.4Å; K366-M395 HydrophobicContact CG-CE 4.22Å; Q369-M395 HydrophobicContact CB-CE 3.64Å; Q369-M395 HydrophobicContact CG-CE 4.04Å; I372-M395 HydrophobicContact CD1-CE 4.18Å; I372-M395 HydrophobicContact CD1-SD 3.72Å; L391-M395 HydrophobicContact CG-SD 4.41Å; L391-M395 WeakPolarHBondContact O-CB 3.48Å; L391-M395 VanDerWaalsContact O-CG 3.23Å; L391-M395 WeakPolarHBondContact O-CG 3.44Å; L391-M395 PolarHBondContact O-N 3.11Å; L392-M395 HydrophobicContact CD2-SD 3.95Å; M395-N400 PolarHBondContact O-ND2 3.41Å; M395-I404 HydrophobicContact CG-CD1 4.01Å
396C93.4Very high93.6Very high1 Ų137.7 Ų37.71%0.00720%0.198CC..  trans-78130.6-176-174.10000111.2L392 Y393 A394 N400 A401 I404 L430 Y434L392-C396 VanDerWaalsContact O-CB 3.29Å; L392-C396 WeakPolarHBondContact O-CB 3.48Å; L392-C396 PolarHBondContact O-N 3.39Å; Y393-C396 WeakPolarHBondContact O-CB 3.21Å; Y393-C396 PolarHBondContact O-N 3.34Å; A394-C396 VanDerWaalsContact C-N 3.3Å; C396-N400 WeakPolarHBondContact CA-OD1 3.38Å; C396-A401 VanDerWaalsContact SG-CA 3.51Å; C396-I404 HydrophobicContact CB-CD1 3.95Å; C396-L430 HydrophobicContact CB-CD1 4.1Å; C396-L430 HydrophobicContact CB-CD2 3.69Å; C396-Y434 HydrophobicContact CB-CE2 4.21Å; C396-Y434 WeakPolarHBondContact O-CE2 3.48Å; C396-Y434 PolarHBondContact O-OH 3.49Å
397D91.1Very high93.7Very high32 Ų3238.1 Ų38.117%0.17120%0.2CC..  trans-142.7-174.2175.180.6-10.3000111.9K366 T399 N400 A401K366-D397 WeakPolarHBondContact CE-OD2 3.39Å; K366-D397 IonicContact NZ-OD1 3.6Å; K366-D397 PolarHBondContact NZ-OD1 3.25Å; K366-D397 IonicContact NZ-OD2 2.73Å; K366-D397 PolarHBondContact NZ-OD2 3.34Å; D397-T399 PolarHBondContact O-N 3.23Å; D397-T399 VanDerWaalsContact O-N 3.12Å; D397-T399 WeakPolarHBondContact OD1-CA 3.44Å; D397-T399 WeakPolarHBondContact OD1-CB 3.21Å; D397-T399 PolarHBondContact OD1-N 3.03Å; D397-T399 PolarHBondContact OD1-OG1 2.91Å; D397-T399 PolarHBondContact OD2-OG1 2.91Å; D397-N400 PolarHBondContact N-OD1 2.9Å; D397-N400 PolarHBondContact O-N 3.05Å; D397-N400 PolarHBondContact O-OD1 3.24Å; D397-N400 PolarHBondContact OD1-N 3.04Å; D397-N400 PolarHBondContact OD1-OD1 3.27Å; D397-N400 VanDerWaalsContact OD1-OD1 3.12Å; D397-A401 WeakPolarHBondContact O-CB 3.43Å; D397-A401 PolarHBondContact O-N 3.22Å
398R89.9Confident93.8Very high197 Ų19734.5 Ų34.574%0.74319%0.186SC*.THydrogen-bonded Turntrans-60.4-22.8-179.4-68.2-175.7176.3175-1.1114Y434R398-Y434 HydrophobicContact CG-CD1 3.78Å; R398-Y434 HydrophobicContact CG-CE1 4.46Å
399T91.1Very high93.6Very high113 Ų11335 Ų3569%0.69319%0.189SC*.THydrogen-bonded Turntrans-84.3-30.7-176.1680000113.1K366 D397K366-T399 PolarHBondContact NZ-OG1 3.48Å; D397-T399 PolarHBondContact O-N 3.23Å; D397-T399 VanDerWaalsContact O-N 3.12Å; D397-T399 WeakPolarHBondContact OD1-CA 3.44Å; D397-T399 WeakPolarHBondContact OD1-CB 3.21Å; D397-T399 PolarHBondContact OD1-N 3.03Å; D397-T399 PolarHBondContact OD1-OG1 2.91Å; D397-T399 PolarHBondContact OD2-OG1 2.91Å
400N92.6Very high93.5Very high12 Ų1238.1 Ų38.16%0.06421%0.211CC..THydrogen-bonded Turntrans-120.6-3.5-174.366.25.7000114.5Q369 M395 C396 D397 Q402 A403 I404Q369-N400 PolarHBondContact OE1-ND2 3.35Å; M395-N400 PolarHBondContact O-ND2 3.41Å; C396-N400 WeakPolarHBondContact CA-OD1 3.38Å; D397-N400 PolarHBondContact N-OD1 2.9Å; D397-N400 PolarHBondContact O-N 3.05Å; D397-N400 PolarHBondContact O-OD1 3.24Å; D397-N400 PolarHBondContact OD1-N 3.04Å; D397-N400 PolarHBondContact OD1-OD1 3.27Å; D397-N400 VanDerWaalsContact OD1-OD1 3.12Å; N400-Q402 PolarHBondContact O-N 3.32Å; N400-A403 PolarHBondContact O-N 3.26Å; N400-A403 VanDerWaalsContact O-N 3.11Å; N400-I404 HydrophobicContact CB-CD1 4.29Å; N400-I404 PolarHBondContact O-N 3.37Å
401A93Very high93.4Very high2 Ų237.4 Ų37.42%0.01721%0.207CC..Hα-helixtrans-53.2-46.4-176.200000114C396 D397 A403 I404 V405 Y434C396-A401 VanDerWaalsContact SG-CA 3.51Å; D397-A401 WeakPolarHBondContact O-CB 3.43Å; D397-A401 PolarHBondContact O-N 3.22Å; A401-A403 VanDerWaalsContact C-N 3.31Å; A401-A403 PolarHBondContact O-N 3.38Å; A401-I404 PolarHBondContact O-N 3.13Å; A401-V405 VanDerWaalsContact O-CB 3.27Å; A401-V405 WeakPolarHBondContact O-CB 3.45Å; A401-V405 VanDerWaalsContact O-CG2 3.3Å; A401-V405 WeakPolarHBondContact O-CG2 3.16Å; A401-V405 PolarHBondContact O-N 3.37Å; A401-Y434 HydrophobicContact CB-CD2 4.04Å; A401-Y434 HydrophobicContact CB-CG 4.12Å
402Q92.9Very high93.2Very high111 Ų11137.4 Ų37.452%0.51921%0.207SC..Hα-helixtrans-59.8-42-180-66.3-171.2-1700112.1N400 G406 W440N400-Q402 PolarHBondContact O-N 3.32Å; Q402-G406 PolarHBondContact O-N 3.14Å; Q402-W440 HydrophobicContact CB-CZ2 4.36Å; Q402-W440 HydrophobicContact CG-CD2 4.27Å; Q402-W440 HydrophobicContact CG-CZ2 3.94Å
403A94.1Very high92.8Very high51 Ų5142.7 Ų42.742%0.42123%0.231SC..Hα-helixtrans-66.8-49.7177.600000111.2N400 A401 V405 G406 E407N400-A403 PolarHBondContact O-N 3.26Å; N400-A403 VanDerWaalsContact O-N 3.11Å; A401-A403 VanDerWaalsContact C-N 3.31Å; A401-A403 PolarHBondContact O-N 3.38Å; A403-V405 PolarHBondContact O-N 2.91Å; A403-G406 PolarHBondContact O-N 3.4Å; A403-E407 WeakPolarHBondContact O-CB 3.29Å; A403-E407 VanDerWaalsContact O-CG 3.23Å; A403-E407 WeakPolarHBondContact O-CG 3.48Å; A403-E407 PolarHBondContact O-N 3Å
404I95.3Very high92.5Very high0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-62.8-46.7-178.1-68177.3000111.4L392 M395 C396 N400 A401 E407 M408 L430L392-I404 HydrophobicContact CB-CG2 3.96Å; L392-I404 HydrophobicContact CD2-CD1 4.49Å; L392-I404 HydrophobicContact CD2-CG1 4.36Å; L392-I404 HydrophobicContact CD2-CG2 4.41Å; M395-I404 HydrophobicContact CG-CD1 4.01Å; C396-I404 HydrophobicContact CB-CD1 3.95Å; N400-I404 HydrophobicContact CB-CD1 4.29Å; N400-I404 PolarHBondContact O-N 3.37Å; A401-I404 PolarHBondContact O-N 3.13Å; I404-E407 PolarHBondContact O-N 3.3Å; I404-M408 HydrophobicContact CG2-CE 3.77Å; I404-M408 HydrophobicContact CG2-CG 4.46Å; I404-M408 HydrophobicContact CG2-SD 4.33Å; I404-M408 WeakPolarHBondContact O-CG 3.48Å; I404-M408 PolarHBondContact O-N 2.79Å; I404-L430 HydrophobicContact CG2-CD1 4.48Å
405V95.4Very high92.3Very high1 Ų144.6 Ų44.61%0.00624%0.243CC..Hα-helixtrans-63-42.7178.4166.90000111A401 A403 E407 M408 L409 V427 L430 W440 T444A401-V405 VanDerWaalsContact O-CB 3.27Å; A401-V405 WeakPolarHBondContact O-CB 3.45Å; A401-V405 VanDerWaalsContact O-CG2 3.3Å; A401-V405 WeakPolarHBondContact O-CG2 3.16Å; A401-V405 PolarHBondContact O-N 3.37Å; A403-V405 PolarHBondContact O-N 2.91Å; V405-E407 PolarHBondContact O-N 3.29Å; V405-M408 PolarHBondContact O-N 2.84Å; V405-L409 HydrophobicContact CG1-CD1 4.07Å; V405-L409 HydrophobicContact CG1-CG 4.45Å; V405-L409 WeakPolarHBondContact O-CB 3.28Å; V405-L409 WeakPolarHBondContact O-CG 3.4Å; V405-L409 PolarHBondContact O-N 3.5Å; V405-V427 HydrophobicContact CG1-CG1 3.97Å; V405-L430 HydrophobicContact CG2-CB 3.92Å; V405-L430 HydrophobicContact CG2-CD1 4.47Å; V405-W440 HydrophobicContact CB-CZ2 4.11Å; V405-W440 HydrophobicContact CG1-CZ2 4.07Å; V405-W440 HydrophobicContact CG2-CH2 4.36Å; V405-W440 HydrophobicContact CG2-CZ2 4.39Å; V405-T444 HydrophobicContact CG1-CG2 3.47Å; V405-T444 VanDerWaalsContact CG1-CG2 3.47Å
406G94.4Very high92Very high37 Ų3748 Ų4838%0.38126%0.262SS..Hα-helixtrans-60-44175.500000112.6Q402 A403 L409 S410Q402-G406 PolarHBondContact O-N 3.14Å; A403-G406 PolarHBondContact O-N 3.4Å; G406-L409 PolarHBondContact O-N 2.7Å; G406-S410 WeakPolarHBondContact O-CB 3.45Å; G406-S410 PolarHBondContact O-N 3.12Å
407E94.7Very high91.4Very high68 Ų6855.8 Ų55.832%0.31829%0.292SS..Hα-helixtrans-65.8-40.4177-69.1-64.1170.700112.6V373 K377 A403 I404 V405 S410 Y411V373-E407 HydrophobicContact CG1-CB 4.1Å; V373-E407 HydrophobicContact CG1-CG 4.02Å; V373-E407 HydrophobicContact CG2-CB 4.33Å; V373-E407 HydrophobicContact CG2-CG 4.28Å; K377-E407 WeakPolarHBondContact CE-OE2 3.46Å; K377-E407 IonicContact NZ-OE2 2.96Å; K377-E407 PolarHBondContact NZ-OE2 3.24Å; A403-E407 WeakPolarHBondContact O-CB 3.29Å; A403-E407 VanDerWaalsContact O-CG 3.23Å; A403-E407 WeakPolarHBondContact O-CG 3.48Å; A403-E407 PolarHBondContact O-N 3Å; I404-E407 PolarHBondContact O-N 3.3Å; V405-E407 PolarHBondContact O-N 3.29Å; E407-S410 PolarHBondContact O-N 2.87Å; E407-Y411 PolarHBondContact O-N 2.76Å
408M94.5Very high90.9Very high0 Ų057.5 Ų57.50%031%0.311CS..Hα-helixtrans-64-44174.7-74.2-173-179.600111.8V389 L392 I404 V405 Y411 L412 M423 V427 L430V389-M408 HydrophobicContact CG1-CE 4.13Å; L392-M408 HydrophobicContact CB-CE 3.37Å; L392-M408 HydrophobicContact CD1-CE 4.13Å; L392-M408 HydrophobicContact CG-CE 4.4Å; I404-M408 HydrophobicContact CG2-CE 3.77Å; I404-M408 HydrophobicContact CG2-CG 4.46Å; I404-M408 HydrophobicContact CG2-SD 4.33Å; I404-M408 WeakPolarHBondContact O-CG 3.48Å; I404-M408 PolarHBondContact O-N 2.79Å; V405-M408 PolarHBondContact O-N 2.84Å; M408-Y411 PolarHBondContact O-N 2.85Å; M408-L412 WeakPolarHBondContact O-CB 3.5Å; M408-L412 PolarHBondContact O-N 2.95Å; M408-M423 HydrophobicContact CB-CG 4.26Å; M408-M423 HydrophobicContact CB-SD 4.15Å; M408-M423 HydrophobicContact CG-CG 4.4Å; M408-M423 HydrophobicContact CG-SD 4.29Å; M408-M423 VanDerWaalsContact O-CE 3.27Å; M408-M423 WeakPolarHBondContact O-CE 3.49Å; M408-M423 HydrophobicContact SD-CG 4.28Å; M408-V427 HydrophobicContact CB-CG2 3.62Å; M408-V427 HydrophobicContact CG-CG2 4.31Å; M408-V427 HydrophobicContact SD-CG2 3.7Å; M408-L430 HydrophobicContact CE-CD1 4.39Å; M408-L430 HydrophobicContact SD-CD1 4.41Å
409L93.3Very high90.7Very high11 Ų1148.2 Ų48.26%0.05828%0.276CS..Hα-helixtrans-63.2-42.1176.6-76.5174.4000111.7V405 G406 Y411 L412 V427 T444 L448V405-L409 HydrophobicContact CG1-CD1 4.07Å; V405-L409 HydrophobicContact CG1-CG 4.45Å; V405-L409 WeakPolarHBondContact O-CB 3.28Å; V405-L409 WeakPolarHBondContact O-CG 3.4Å; V405-L409 PolarHBondContact O-N 3.5Å; G406-L409 PolarHBondContact O-N 2.7Å; L409-Y411 VanDerWaalsContact C-N 3.35Å; L409-Y411 PolarHBondContact O-N 3.3Å; L409-L412 HydrophobicContact CD2-CD2 4.22Å; L409-L412 WeakPolarHBondContact O-CB 3.38Å; L409-L412 PolarHBondContact O-N 2.89Å; L409-V427 HydrophobicContact CD2-CG1 4.13Å; L409-V427 HydrophobicContact CG-CG1 4.27Å; L409-T444 HydrophobicContact CD1-CG2 4.11Å; L409-L448 HydrophobicContact CD2-CB 4.16Å; L409-L448 HydrophobicContact CD2-CD1 3.76Å
410S92.3Very high90.5Very high67 Ų6744.9 Ų44.947%0.46925%0.251SS..Hα-helixtrans-61.4-42.9175.7176.10000111.9G406 E407 L412G406-S410 WeakPolarHBondContact O-CB 3.45Å; G406-S410 PolarHBondContact O-N 3.12Å; E407-S410 PolarHBondContact O-N 2.87Å; S410-L412 VanDerWaalsContact C-N 3.34Å
411Y92.2Very high90.2Very high9 Ų949.2 Ų49.24%0.03527%0.27CS..Hα-helixtrans-71-29.3176.9177.4-112.8000112.8L376 K377 R385 E407 M408 L409 E413 V414 A415 M423L376-Y411 HydrophobicContact CD1-CD1 3.6Å; L376-Y411 HydrophobicContact CD1-CE1 3.5Å; L376-Y411 VanDerWaalsContact CD1-CE1 3.5Å; L376-Y411 HydrophobicContact CD1-CG 4.46Å; L376-Y411 HydrophobicContact CD2-CD1 3.9Å; L376-Y411 HydrophobicContact CD2-CG 4.28Å; L376-Y411 HydrophobicContact CG-CD1 3.61Å; L376-Y411 HydrophobicContact CG-CE1 3.95Å; L376-Y411 HydrophobicContact CG-CG 4.01Å; K377-Y411 HydrophobicContact CG-CD2 4.19Å; R385-Y411 WeakPolarHBondContact CD-OH 3.39Å; R385-Y411 PolarHBondContact NH1-OH 2.93Å; E407-Y411 PolarHBondContact O-N 2.76Å; M408-Y411 PolarHBondContact O-N 2.85Å; L409-Y411 VanDerWaalsContact C-N 3.35Å; L409-Y411 PolarHBondContact O-N 3.3Å; Y411-E413 PolarHBondContact O-N 3.38Å; Y411-E413 VanDerWaalsContact O-N 3.15Å; Y411-V414 HydrophobicContact CD2-CG2 3.9Å; Y411-V414 HydrophobicContact CE2-CG2 4.14Å; Y411-V414 WeakPolarHBondContact O-CG2 3.35Å; Y411-V414 PolarHBondContact O-N 2.76Å; Y411-V414 VanDerWaalsContact O-N 3.09Å; Y411-A415 HydrophobicContact CD1-CB 4.05Å; Y411-A415 HydrophobicContact CE1-CB 3.62Å; Y411-A415 WeakPolarHBondContact O-CB 3.45Å; Y411-A415 PolarHBondContact O-N 2.94Å; Y411-M423 HydrophobicContact CD1-CE 3.79Å; Y411-M423 HydrophobicContact CD1-SD 3.92Å; Y411-M423 HydrophobicContact CE1-CE 4.43Å
412L91.2Very high89.9Confident0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-57.2-31.6-177.6-166.959.4000113.3M408 L409 S410 V414 R420 M423 V424 L448 V451 A452M408-L412 WeakPolarHBondContact O-CB 3.5Å; M408-L412 PolarHBondContact O-N 2.95Å; L409-L412 HydrophobicContact CD2-CD2 4.22Å; L409-L412 WeakPolarHBondContact O-CB 3.38Å; L409-L412 PolarHBondContact O-N 2.89Å; S410-L412 VanDerWaalsContact C-N 3.34Å; L412-V414 VanDerWaalsContact C-N 3.28Å; L412-V414 PolarHBondContact O-N 3.16Å; L412-R420 HydrophobicContact CD1-CB 4.09Å; L412-R420 HydrophobicContact CD1-CG 3.9Å; L412-M423 HydrophobicContact CB-CE 3.5Å; L412-M423 HydrophobicContact CD1-CB 4.44Å; L412-M423 HydrophobicContact CD1-CE 3.29Å; L412-M423 HydrophobicContact CG-CE 3.94Å; L412-V424 HydrophobicContact CD1-CG2 4.15Å; L412-V424 HydrophobicContact CD2-CG2 4.14Å; L412-L448 HydrophobicContact CD2-CD1 3.61Å; L412-V451 HydrophobicContact CB-CG1 4.02Å; L412-V451 HydrophobicContact CD2-CB 4.45Å; L412-V451 HydrophobicContact CD2-CG1 4.06Å; L412-V451 HydrophobicContact CG-CG1 3.88Å; L412-A452 HydrophobicContact CD2-CB 3.83Å; L412-A452 HydrophobicContact CG-CB 4.35Å
413E88.1Confident89.8Confident111 Ų11145.8 Ų45.852%0.51925%0.254SS..THydrogen-bonded Turntrans-60.1-38.3178.5-64.1-172.9169.600112.2Y411 R420 V451Y411-E413 PolarHBondContact O-N 3.38Å; Y411-E413 VanDerWaalsContact O-N 3.15Å; E413-R420 PolarHBondContact O-NH2 2.88Å; E413-V451 HydrophobicContact CB-CG1 4.45Å; E413-V451 HydrophobicContact CG-CG1 3.74Å; E413-V451 HydrophobicContact CG-CG2 4.2Å
414V88.5Confident89.7Confident110 Ų11043.4 Ų43.467%0.66723%0.234SC*.THydrogen-bonded Turntrans-106-5.8-176.1-60.70000113.8Y411 L412Y411-V414 HydrophobicContact CD2-CG2 3.9Å; Y411-V414 HydrophobicContact CE2-CG2 4.14Å; Y411-V414 WeakPolarHBondContact O-CG2 3.35Å; Y411-V414 PolarHBondContact O-N 2.76Å; Y411-V414 VanDerWaalsContact O-N 3.09Å; L412-V414 VanDerWaalsContact C-N 3.28Å; L412-V414 PolarHBondContact O-N 3.16Å
415A88.1Confident89.5Confident3 Ų344.1 Ų44.13%0.02524%0.238CC..  trans-65.2152.5-174.700000113.1Y411 R420 M423Y411-A415 HydrophobicContact CD1-CB 4.05Å; Y411-A415 HydrophobicContact CE1-CB 3.62Å; Y411-A415 WeakPolarHBondContact O-CB 3.45Å; Y411-A415 PolarHBondContact O-N 2.94Å; A415-R420 HydrophobicContact CB-CG 4.06Å; A415-R420 VanDerWaalsContact O-CZ 3.24Å; A415-R420 PolarHBondContact O-NE 3.48Å; A415-R420 PolarHBondContact O-NH2 3.28Å; A415-M423 HydrophobicContact CB-CE 4.28Å
416D85.5Confident89.3Confident71 Ų7144.2 Ų44.238%0.3824%0.238SC..  trans-71.3149.6173.5-59.9-63.7000112.1R385 A418 I419 R420R385-D416 IonicContact NH1-OD2 3.87Å; R385-D416 PolarHBondContact NH1-OD2 3.21Å; D416-A418 PolarHBondContact O-N 3.03Å; D416-A418 VanDerWaalsContact O-N 3.1Å; D416-I419 PolarHBondContact O-N 2.8Å; D416-R420 WeakPolarHBondContact O-CG 3.45Å; D416-R420 PolarHBondContact O-N 3.2Å
417Y82.1Confident89.3Confident166 Ų16642.5 Ų42.565%0.65122%0.22SC*.Hα-helixtrans-53.6-35.1-176.6-62.2-54.4000114.5I419 Y455Y417-I419 VanDerWaalsContact C-N 3.3Å; Y417-I419 PolarHBondContact O-N 3.33Å; Y417-Y455 AromaticContact CD1-CE2 3.96Å; Y417-Y455 HydrophobicContact CD1-CE2 3.96Å; Y417-Y455 AromaticContact CD1-CZ 3.64Å; Y417-Y455 WeakPolarHBondContact CD1-OH 3.4Å; Y417-Y455 HydrophobicContact CE1-CE2 4.42Å; Y417-Y455 WeakPolarHBondContact CE1-OH 3.5Å
418A79.5Confident89.1Confident68 Ų6839.2 Ų39.256%0.56221%0.205SC*.Hα-helixtrans-66.9-27.7179.700000113.8D416D416-A418 PolarHBondContact O-N 3.03Å; D416-A418 VanDerWaalsContact O-N 3.1Å
419I85.9Confident88.9Confident1 Ų139.3 Ų39.31%0.00521%0.205CC..Hα-helixtrans-91.7-31.5-179.4-56.5-179.7000110.8V382 R385 Q386 V389 D416 Y417 E421 E422 M423V382-I419 HydrophobicContact CG1-CD1 3.84Å; V382-I419 HydrophobicContact CG1-CG1 3.87Å; R385-I419 HydrophobicContact CB-CD1 3.66Å; Q386-I419 HydrophobicContact CG-CD1 4.36Å; Q386-I419 HydrophobicContact CG-CG1 3.94Å; V389-I419 HydrophobicContact CG2-CG2 4.17Å; D416-I419 PolarHBondContact O-N 2.8Å; Y417-I419 VanDerWaalsContact C-N 3.3Å; Y417-I419 PolarHBondContact O-N 3.33Å; I419-E421 PolarHBondContact O-N 3.06Å; I419-E422 PolarHBondContact O-N 3.26Å; I419-M423 HydrophobicContact CG2-CB 4.48Å; I419-M423 WeakPolarHBondContact O-CB 3.41Å; I419-M423 PolarHBondContact O-N 2.82Å
420R88.2Confident88.9Confident44 Ų4438.9 Ų38.917%0.16620%0.203CC..Hα-helixtrans-55.1-48.9-175.1-71.6-175-172.8-144.6-8.9112.9L412 E413 A415 D416 E422 M423 V424 Y455L412-R420 HydrophobicContact CD1-CB 4.09Å; L412-R420 HydrophobicContact CD1-CG 3.9Å; E413-R420 PolarHBondContact O-NH2 2.88Å; A415-R420 HydrophobicContact CB-CG 4.06Å; A415-R420 VanDerWaalsContact O-CZ 3.24Å; A415-R420 PolarHBondContact O-NE 3.48Å; A415-R420 PolarHBondContact O-NH2 3.28Å; D416-R420 WeakPolarHBondContact O-CG 3.45Å; D416-R420 PolarHBondContact O-N 3.2Å; R420-E422 VanDerWaalsContact C-N 3.34Å; R420-E422 PolarHBondContact O-N 2.81Å; R420-M423 PolarHBondContact O-N 2.81Å; R420-V424 WeakPolarHBondContact O-CB 3.39Å; R420-V424 WeakPolarHBondContact O-CG2 3.27Å; R420-V424 PolarHBondContact O-N 3.35Å; R420-Y455 HydrophobicContact CB-CD1 4.27Å; R420-Y455 HydrophobicContact CB-CD2 4.05Å; R420-Y455 HydrophobicContact CB-CE2 4.34Å; R420-Y455 HydrophobicContact CB-CG 4.05Å
421E85.8Confident88.9Confident102 Ų10235.7 Ų35.748%0.47718%0.181SC..Hα-helixtrans-59.6-44.1-176.5-167.4-171.3160.400112.3I419 L425 Y455 K618I419-E421 PolarHBondContact O-N 3.06Å; E421-L425 PolarHBondContact O-N 2.98Å; E421-Y455 HydrophobicContact CB-CD1 4.06Å; E421-K618 VanDerWaalsContact CD-NZ 3.34Å; E421-K618 IonicContact OE1-NZ 2.72Å; E421-K618 PolarHBondContact OE1-NZ 3.46Å
422E86.5Confident88.6Confident41 Ų4136.9 Ų36.919%0.19219%0.187CC..Hα-helixtrans-71.2-40.4178.9-170.5-178.5167.300111.9I419 R420 L425 K426I419-E422 PolarHBondContact O-N 3.26Å; R420-E422 VanDerWaalsContact C-N 3.34Å; R420-E422 PolarHBondContact O-N 2.81Å; E422-L425 PolarHBondContact O-N 3.4Å; E422-K426 HydrophobicContact CG-CD 4.24Å; E422-K426 WeakPolarHBondContact O-CG 3.48Å; E422-K426 PolarHBondContact O-N 2.92Å; E422-K426 WeakPolarHBondContact OE1-CE 3.45Å; E422-K426 IonicContact OE1-NZ 3.72Å; E422-K426 PolarHBondContact OE1-NZ 2.79Å
423M91.1Very high88.5Confident0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-67.7-38.1179.7-163.5162.372.500111.7V389 M408 Y411 L412 A415 I419 R420 L425 K426 V427V389-M423 HydrophobicContact CG1-CB 4.49Å; V389-M423 HydrophobicContact CG1-CG 4.24Å; V389-M423 HydrophobicContact CG2-SD 4.06Å; M408-M423 HydrophobicContact CB-CG 4.26Å; M408-M423 HydrophobicContact CB-SD 4.15Å; M408-M423 HydrophobicContact CG-CG 4.4Å; M408-M423 HydrophobicContact CG-SD 4.29Å; M408-M423 VanDerWaalsContact O-CE 3.27Å; M408-M423 WeakPolarHBondContact O-CE 3.49Å; M408-M423 HydrophobicContact SD-CG 4.28Å; Y411-M423 HydrophobicContact CD1-CE 3.79Å; Y411-M423 HydrophobicContact CD1-SD 3.92Å; Y411-M423 HydrophobicContact CE1-CE 4.43Å; L412-M423 HydrophobicContact CB-CE 3.5Å; L412-M423 HydrophobicContact CD1-CB 4.44Å; L412-M423 HydrophobicContact CD1-CE 3.29Å; L412-M423 HydrophobicContact CG-CE 3.94Å; A415-M423 HydrophobicContact CB-CE 4.28Å; I419-M423 HydrophobicContact CG2-CB 4.48Å; I419-M423 WeakPolarHBondContact O-CB 3.41Å; I419-M423 PolarHBondContact O-N 2.82Å; R420-M423 PolarHBondContact O-N 2.81Å; M423-L425 VanDerWaalsContact C-N 3.35Å; M423-L425 PolarHBondContact O-N 3.08Å; M423-K426 PolarHBondContact O-N 3.49Å; M423-V427 HydrophobicContact CG-CG2 4.3Å; M423-V427 WeakPolarHBondContact O-CB 3.45Å; M423-V427 VanDerWaalsContact O-CG2 3.25Å; M423-V427 WeakPolarHBondContact O-CG2 3.49Å; M423-V427 PolarHBondContact O-N 3.15Å
424V92.1Very high88.6Confident2 Ų239 Ų391%0.01219%0.193CC..Hα-helixtrans-58.6-47.8173.9166.60000111L412 R420 K426 V427 A428 L448 A452 V456L412-V424 HydrophobicContact CD1-CG2 4.15Å; L412-V424 HydrophobicContact CD2-CG2 4.14Å; R420-V424 WeakPolarHBondContact O-CB 3.39Å; R420-V424 WeakPolarHBondContact O-CG2 3.27Å; R420-V424 PolarHBondContact O-N 3.35Å; V424-K426 PolarHBondContact O-N 3.05Å; V424-V427 PolarHBondContact O-N 3.38Å; V424-A428 WeakPolarHBondContact O-CB 3.43Å; V424-A428 PolarHBondContact O-N 3.16Å; V424-L448 HydrophobicContact CB-CD1 4.35Å; V424-L448 HydrophobicContact CG1-CD1 4.31Å; V424-L448 HydrophobicContact CG1-CD2 4.11Å; V424-L448 HydrophobicContact CG1-CG 4.28Å; V424-L448 HydrophobicContact CG2-CD1 4.02Å; V424-A452 HydrophobicContact CG2-CB 3.36Å; V424-V456 HydrophobicContact CG1-CB 4.46Å; V424-V456 HydrophobicContact CG1-CG2 3.89Å
425L89.7Confident88.4Confident14 Ų1434.7 Ų34.77%0.07317%0.17CC..Hα-helixtrans-61.1-46.6178.3-177.663.1000111.3E421 E422 M423 A428 I429 I611 L615 K618E421-L425 PolarHBondContact O-N 2.98Å; E422-L425 PolarHBondContact O-N 3.4Å; M423-L425 VanDerWaalsContact C-N 3.35Å; M423-L425 PolarHBondContact O-N 3.08Å; L425-A428 PolarHBondContact O-N 3.24Å; L425-I429 HydrophobicContact CD1-CD1 4.12Å; L425-I429 HydrophobicContact CG-CD1 3.99Å; L425-I429 WeakPolarHBondContact O-CD1 3.16Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 3.03Å; L425-I429 VanDerWaalsContact O-N 3.08Å; L425-I611 HydrophobicContact CD1-CG2 3.36Å; L425-L615 HydrophobicContact CD2-CB 4.12Å; L425-L615 HydrophobicContact CD2-CD1 4.29Å; L425-L615 HydrophobicContact CG-CD1 4.41Å; L425-K618 HydrophobicContact CD2-CD 4.28Å
426K92.3Very high88.2Confident4 Ų439.5 Ų39.52%0.01720%0.199CC..Hα-helixtrans-64.7-45179.3-76.3173.8169.9169.50112.5V389 D390 Y393 E422 M423 V424 A428 I429 L430 L615V389-K426 HydrophobicContact CG1-CD 3.61Å; D390-K426 IonicContact OD1-NZ 2.81Å; D390-K426 PolarHBondContact OD1-NZ 3.45Å; Y393-K426 HydrophobicContact CD2-CB 3.75Å; Y393-K426 HydrophobicContact CD2-CD 4.19Å; Y393-K426 HydrophobicContact CD2-CG 3.66Å; Y393-K426 HydrophobicContact CE2-CB 4.31Å; Y393-K426 HydrophobicContact CE2-CG 4.13Å; Y393-K426 HydrophobicContact CG-CB 4.49Å; Y393-K426 HydrophobicContact CG-CD 4.13Å; Y393-K426 HydrophobicContact CG-CG 4.07Å; E422-K426 HydrophobicContact CG-CD 4.24Å; E422-K426 WeakPolarHBondContact O-CG 3.48Å; E422-K426 PolarHBondContact O-N 2.92Å; E422-K426 WeakPolarHBondContact OE1-CE 3.45Å; E422-K426 IonicContact OE1-NZ 3.72Å; E422-K426 PolarHBondContact OE1-NZ 2.79Å; M423-K426 PolarHBondContact O-N 3.49Å; V424-K426 PolarHBondContact O-N 3.05Å; K426-A428 VanDerWaalsContact C-N 3.34Å; K426-A428 PolarHBondContact O-N 3.44Å; K426-I429 PolarHBondContact O-N 3.17Å; K426-L430 WeakPolarHBondContact O-CB 3.26Å; K426-L430 VanDerWaalsContact O-CG 3.25Å; K426-L430 WeakPolarHBondContact O-CG 3.25Å; K426-L430 PolarHBondContact O-N 2.98Å; K426-L615 HydrophobicContact CG-CD1 3.98Å
427V94.2Very high88.3Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-59.7-45.7176.7168.50000110.5V405 M408 L409 M423 V424 I429 L430 A431 T444 L448V405-V427 HydrophobicContact CG1-CG1 3.97Å; M408-V427 HydrophobicContact CB-CG2 3.62Å; M408-V427 HydrophobicContact CG-CG2 4.31Å; M408-V427 HydrophobicContact SD-CG2 3.7Å; L409-V427 HydrophobicContact CD2-CG1 4.13Å; L409-V427 HydrophobicContact CG-CG1 4.27Å; M423-V427 HydrophobicContact CG-CG2 4.3Å; M423-V427 WeakPolarHBondContact O-CB 3.45Å; M423-V427 VanDerWaalsContact O-CG2 3.25Å; M423-V427 WeakPolarHBondContact O-CG2 3.49Å; M423-V427 PolarHBondContact O-N 3.15Å; V424-V427 PolarHBondContact O-N 3.38Å; V427-I429 VanDerWaalsContact C-N 3.34Å; V427-I429 PolarHBondContact O-N 3.2Å; V427-L430 PolarHBondContact O-N 2.84Å; V427-A431 WeakPolarHBondContact O-CB 3.37Å; V427-A431 PolarHBondContact O-N 3.2Å; V427-T444 HydrophobicContact CG1-CG2 4.26Å; V427-L448 HydrophobicContact CB-CD1 4.23Å; V427-L448 HydrophobicContact CG1-CD1 4Å; V427-L448 HydrophobicContact CG1-CD2 4.25Å
428A91Very high88.6Confident0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-59.7-43.8177.700000112.2V424 L425 K426 E432 I445 L448 V460V424-A428 WeakPolarHBondContact O-CB 3.43Å; V424-A428 PolarHBondContact O-N 3.16Å; L425-A428 PolarHBondContact O-N 3.24Å; K426-A428 VanDerWaalsContact C-N 3.34Å; K426-A428 PolarHBondContact O-N 3.44Å; A428-E432 WeakPolarHBondContact O-CB 3.46Å; A428-E432 PolarHBondContact O-N 3.1Å; A428-E432 VanDerWaalsContact O-N 3.09Å; A428-I445 HydrophobicContact CB-CD1 4.14Å; A428-L448 HydrophobicContact CB-CD2 4.03Å; A428-V460 HydrophobicContact CB-CG1 4.25Å; A428-V460 HydrophobicContact CB-CG2 4.29Å
429I90.4Very high89.1Confident1 Ų133.9 Ų33.91%0.00517%0.168CC..Hα-helixtrans-67-45178.6-66.8164.3000111.5Y393 L425 K426 V427 E432 K433 I611 L612 L615Y393-I429 HydrophobicContact CE2-CB 4.34Å; Y393-I429 HydrophobicContact CE2-CG2 4.09Å; L425-I429 HydrophobicContact CD1-CD1 4.12Å; L425-I429 HydrophobicContact CG-CD1 3.99Å; L425-I429 WeakPolarHBondContact O-CD1 3.16Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 3.03Å; L425-I429 VanDerWaalsContact O-N 3.08Å; K426-I429 PolarHBondContact O-N 3.17Å; V427-I429 VanDerWaalsContact C-N 3.34Å; V427-I429 PolarHBondContact O-N 3.2Å; I429-E432 PolarHBondContact O-N 3.15Å; I429-K433 VanDerWaalsContact O-CB 3.24Å; I429-K433 WeakPolarHBondContact O-CB 3.49Å; I429-K433 PolarHBondContact O-N 2.97Å; I429-I611 HydrophobicContact CD1-CG2 4.02Å; I429-I611 HydrophobicContact CG1-CB 4.34Å; I429-I611 HydrophobicContact CG1-CG2 3.49Å; I429-I611 VanDerWaalsContact CG1-CG2 3.49Å; I429-L612 HydrophobicContact CG2-CD2 4.34Å; I429-L612 HydrophobicContact CG2-CG 4.3Å; I429-L615 HydrophobicContact CD1-CB 3.62Å; I429-L615 HydrophobicContact CD1-CD1 3.62Å; I429-L615 HydrophobicContact CD1-CG 4.13Å
430L92.7Very high89.4Confident3 Ų335.7 Ų35.72%0.01618%0.175CC..Hα-helixtrans-65.4-43.5-179.7-69.2178000111.5Y393 C396 I404 V405 M408 K426 V427 E432 K433 Y434Y393-L430 HydrophobicContact CD2-CD1 3.88Å; Y393-L430 HydrophobicContact CD2-CD2 3.62Å; Y393-L430 HydrophobicContact CD2-CG 3.63Å; Y393-L430 HydrophobicContact CE2-CD2 3.75Å; Y393-L430 HydrophobicContact CE2-CG 3.92Å; Y393-L430 HydrophobicContact CG-CD2 4.44Å; C396-L430 HydrophobicContact CB-CD1 4.1Å; C396-L430 HydrophobicContact CB-CD2 3.69Å; I404-L430 HydrophobicContact CG2-CD1 4.48Å; V405-L430 HydrophobicContact CG2-CB 3.92Å; V405-L430 HydrophobicContact CG2-CD1 4.47Å; M408-L430 HydrophobicContact CE-CD1 4.39Å; M408-L430 HydrophobicContact SD-CD1 4.41Å; K426-L430 WeakPolarHBondContact O-CB 3.26Å; K426-L430 VanDerWaalsContact O-CG 3.25Å; K426-L430 WeakPolarHBondContact O-CG 3.25Å; K426-L430 PolarHBondContact O-N 2.98Å; V427-L430 PolarHBondContact O-N 2.84Å; L430-E432 VanDerWaalsContact C-N 3.3Å; L430-E432 PolarHBondContact O-N 3.01Å; L430-K433 PolarHBondContact O-N 3.32Å; L430-Y434 HydrophobicContact CD2-CD2 4.12Å; L430-Y434 HydrophobicContact CD2-CE2 3.8Å; L430-Y434 PolarHBondContact O-N 3.37Å
431A91.5Very high89.6Confident0 Ų033.7 Ų33.70%017%0.167CC..Hα-helixtrans-58.3-45.217600000110.8V427 A435 W440 Y441 T444 I445V427-A431 WeakPolarHBondContact O-CB 3.37Å; V427-A431 PolarHBondContact O-N 3.2Å; A431-A435 VanDerWaalsContact O-CB 3.24Å; A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 2.81Å; A431-A435 VanDerWaalsContact O-N 3.1Å; A431-W440 HydrophobicContact CB-CH2 4.3Å; A431-W440 HydrophobicContact CB-CZ3 4.42Å; A431-W440 WeakPolarHBondContact O-CZ3 3.5Å; A431-Y441 HydrophobicContact CB-CD2 4.03Å; A431-Y441 HydrophobicContact CB-CE2 4.33Å; A431-T444 HydrophobicContact CB-CG2 3.63Å; A431-I445 HydrophobicContact CB-CD1 4.18Å
432E87.1Confident89.9Confident33 Ų3328.8 Ų28.815%0.15414%0.144CC..Hα-helixtrans-67.9-49.6178.4-173.9178.9171.200112.5A428 I429 L430 Y434 Y441 R463 I467 S609A428-E432 WeakPolarHBondContact O-CB 3.46Å; A428-E432 PolarHBondContact O-N 3.1Å; A428-E432 VanDerWaalsContact O-N 3.09Å; I429-E432 PolarHBondContact O-N 3.15Å; L430-E432 VanDerWaalsContact C-N 3.3Å; L430-E432 PolarHBondContact O-N 3.01Å; E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3Å; E432-Y441 HydrophobicContact CB-CD2 4.5Å; E432-Y441 HydrophobicContact CB-CE2 3.86Å; E432-Y441 HydrophobicContact CG-CE2 4.44Å; E432-R463 IonicContact OE1-CZ 3.28Å; E432-R463 IonicContact OE1-NE 2.81Å; E432-R463 PolarHBondContact OE1-NE 3.27Å; E432-R463 IonicContact OE1-NH2 2.82Å; E432-R463 PolarHBondContact OE1-NH2 2.7Å; E432-R463 IonicContact OE2-NE 3.18Å; E432-I467 HydrophobicContact CG-CD1 4.47Å; E432-S609 VanDerWaalsContact CD-OG 3.31Å; E432-S609 WeakPolarHBondContact OE1-CB 3.49Å; E432-S609 PolarHBondContact OE1-OG 3.43Å
433K87.7Confident90.2Very high118 Ų11829.6 Ų29.651%0.51315%0.15SC..Hα-helixtrans-65.4-34.3-173.7-175.7-177.9178.1-162.20112.8I429 L430I429-K433 VanDerWaalsContact O-CB 3.24Å; I429-K433 WeakPolarHBondContact O-CB 3.49Å; I429-K433 PolarHBondContact O-N 2.97Å; L430-K433 PolarHBondContact O-N 3.32Å
434Y90.1Very high90.3Very high37 Ų3730 Ų3015%0.14515%0.152CC..Hα-helixtrans-113.913-173.6-58.3-56.4000113.6C396 R398 A401 L430 E432 T436C396-Y434 HydrophobicContact CB-CE2 4.21Å; C396-Y434 WeakPolarHBondContact O-CE2 3.48Å; C396-Y434 PolarHBondContact O-OH 3.49Å; R398-Y434 HydrophobicContact CG-CD1 3.78Å; R398-Y434 HydrophobicContact CG-CE1 4.46Å; A401-Y434 HydrophobicContact CB-CD2 4.04Å; A401-Y434 HydrophobicContact CB-CG 4.12Å; L430-Y434 HydrophobicContact CD2-CD2 4.12Å; L430-Y434 HydrophobicContact CD2-CE2 3.8Å; L430-Y434 PolarHBondContact O-N 3.37Å; E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3Å; Y434-T436 PolarHBondContact O-N 3.43Å; Y434-T436 VanDerWaalsContact O-N 3.11Å
435A85.6Confident90.4Very high21 Ų2129.9 Ų29.917%0.17415%0.151CC..  trans-60.2113.6170.200000110.4A431 W440A431-A435 VanDerWaalsContact O-CB 3.24Å; A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 2.81Å; A431-A435 VanDerWaalsContact O-N 3.1Å; A435-W440 HydrophobicContact CB-CE3 4.43Å; A435-W440 HydrophobicContact CB-CZ3 4.39Å
436T83.4Confident90.5Very high103 Ų10329.5 Ų29.563%0.63215%0.15SC*.SBendtrans-94-33.8165.550.50000111.2Y434Y434-T436 PolarHBondContact O-N 3.43Å; Y434-T436 VanDerWaalsContact O-N 3.11Å
437D87.4Confident90.5Very high75 Ų7531.7 Ų31.740%0.40116%0.161SC..SBendtrans-116.9122.5172.4171.521.3000108.7S439 W440 Y441D437-S439 VanDerWaalsContact C-N 3.27Å; D437-S439 PolarHBondContact O-N 3.37Å; D437-S439 WeakPolarHBondContact OD1-CB 3.22Å; D437-S439 PolarHBondContact OD1-N 3.42Å; D437-S439 PolarHBondContact OD1-OG 2.83Å; D437-S439 WeakPolarHBondContact OD2-CB 3.3Å; D437-W440 HydrophobicContact CB-CB 4.3Å; D437-W440 WeakPolarHBondContact O-CB 3.29Å; D437-W440 PolarHBondContact O-N 3.03Å; D437-W440 PolarHBondContact OD2-N 3.47Å; D437-Y441 PolarHBondContact O-N 3.12Å
438Y88.2Confident90.5Very high81 Ų8131.7 Ų31.732%0.31816%0.161SC..Hα-helixtrans-74.8-18.9179.5-73.3-81.8000112.6W440 Y441 V442 I467 V474Y438-W440 VanDerWaalsContact C-N 3.35Å; Y438-Y441 WeakPolarHBondContact O-CB 3.5Å; Y438-Y441 PolarHBondContact O-N 2.59Å; Y438-V442 WeakPolarHBondContact O-CG2 3.46Å; Y438-V442 PolarHBondContact O-N 3.43Å; Y438-I467 HydrophobicContact CD1-CG2 3.66Å; Y438-I467 HydrophobicContact CE1-CG2 3.97Å; Y438-V474 HydrophobicContact CG-CG2 4.45Å
439S90.4Very high90.5Very high32 Ų3231.7 Ų31.722%0.22416%0.161CC..Hα-helixtrans-62.1-47169.5-39.80000109.6D437 Y441 V442 D443D437-S439 VanDerWaalsContact C-N 3.27Å; D437-S439 PolarHBondContact O-N 3.37Å; D437-S439 WeakPolarHBondContact OD1-CB 3.22Å; D437-S439 PolarHBondContact OD1-N 3.42Å; D437-S439 PolarHBondContact OD1-OG 2.83Å; D437-S439 WeakPolarHBondContact OD2-CB 3.3Å; S439-Y441 VanDerWaalsContact C-N 3.34Å; S439-Y441 PolarHBondContact O-N 3.39Å; S439-V442 PolarHBondContact O-N 3.08Å; S439-D443 VanDerWaalsContact O-CG 3.28Å; S439-D443 PolarHBondContact O-N 3.27Å
440W92.8Very high90.5Very high39 Ų3939 Ų3915%0.14819%0.189CC..Hα-helixtrans-59.8-40172.2173.178.3000113Q402 V405 A431 A435 D437 Y438 D443 T444Q402-W440 HydrophobicContact CB-CZ2 4.36Å; Q402-W440 HydrophobicContact CG-CD2 4.27Å; Q402-W440 HydrophobicContact CG-CZ2 3.94Å; V405-W440 HydrophobicContact CB-CZ2 4.11Å; V405-W440 HydrophobicContact CG1-CZ2 4.07Å; V405-W440 HydrophobicContact CG2-CH2 4.36Å; V405-W440 HydrophobicContact CG2-CZ2 4.39Å; A431-W440 HydrophobicContact CB-CH2 4.3Å; A431-W440 HydrophobicContact CB-CZ3 4.42Å; A431-W440 WeakPolarHBondContact O-CZ3 3.5Å; A435-W440 HydrophobicContact CB-CE3 4.43Å; A435-W440 HydrophobicContact CB-CZ3 4.39Å; D437-W440 HydrophobicContact CB-CB 4.3Å; D437-W440 WeakPolarHBondContact O-CB 3.29Å; D437-W440 PolarHBondContact O-N 3.03Å; D437-W440 PolarHBondContact OD2-N 3.47Å; Y438-W440 VanDerWaalsContact C-N 3.35Å; W440-D443 PolarHBondContact O-N 2.96Å; W440-T444 PolarHBondContact NE1-OG1 2.86Å; W440-T444 VanDerWaalsContact O-CB 3.23Å; W440-T444 WeakPolarHBondContact O-CB 3.43Å; W440-T444 PolarHBondContact O-N 3.43Å; W440-T444 PolarHBondContact O-OG1 3.16Å
441Y92.7Very high90.4Very high1 Ų140.1 Ų40.10%0.00420%0.196CC..Hα-helixtrans-60.4-49.4174.7171.7-98.5000111.5A431 E432 D437 Y438 S439 D443 T444 I445 V464 I467A431-Y441 HydrophobicContact CB-CD2 4.03Å; A431-Y441 HydrophobicContact CB-CE2 4.33Å; E432-Y441 HydrophobicContact CB-CD2 4.5Å; E432-Y441 HydrophobicContact CB-CE2 3.86Å; E432-Y441 HydrophobicContact CG-CE2 4.44Å; D437-Y441 PolarHBondContact O-N 3.12Å; Y438-Y441 WeakPolarHBondContact O-CB 3.5Å; Y438-Y441 PolarHBondContact O-N 2.59Å; S439-Y441 VanDerWaalsContact C-N 3.34Å; S439-Y441 PolarHBondContact O-N 3.39Å; Y441-D443 PolarHBondContact O-N 2.97Å; Y441-T444 WeakPolarHBondContact O-CB 3.4Å; Y441-T444 PolarHBondContact O-N 3.31Å; Y441-I445 HydrophobicContact CD2-CG1 4.06Å; Y441-I445 HydrophobicContact CE1-CG1 4.05Å; Y441-I445 HydrophobicContact CE2-CD1 3.92Å; Y441-I445 HydrophobicContact CE2-CG1 3.56Å; Y441-I445 WeakPolarHBondContact O-CG1 3.46Å; Y441-I445 PolarHBondContact O-N 3.45Å; Y441-V464 HydrophobicContact CE1-CG2 4.28Å; Y441-I467 HydrophobicContact CD1-CD1 4.2Å; Y441-I467 HydrophobicContact CD1-CG2 4.19Å; Y441-I467 HydrophobicContact CE1-CB 4.25Å; Y441-I467 HydrophobicContact CE1-CD1 3.39Å; Y441-I467 HydrophobicContact CE1-CG1 4.41Å; Y441-I467 HydrophobicContact CE1-CG2 4.14Å; Y441-I467 HydrophobicContact CE2-CD1 4.24Å; Y441-I467 VanDerWaalsContact CZ-CD1 3.41Å; Y441-I467 WeakPolarHBondContact OH-CD1 3.39Å
442V91.6Very high90.2Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-58.3-50178.2169.90000110.1Y438 S439 T444 I445 L446 V468 V474 A478Y438-V442 WeakPolarHBondContact O-CG2 3.46Å; Y438-V442 PolarHBondContact O-N 3.43Å; S439-V442 PolarHBondContact O-N 3.08Å; V442-T444 VanDerWaalsContact C-N 3.27Å; V442-T444 PolarHBondContact O-N 3.24Å; V442-I445 PolarHBondContact O-N 3.23Å; V442-L446 HydrophobicContact CG1-CD1 3.58Å; V442-L446 HydrophobicContact CG1-CG 4.12Å; V442-L446 WeakPolarHBondContact O-CB 3.26Å; V442-L446 WeakPolarHBondContact O-CG 3.29Å; V442-L446 PolarHBondContact O-N 3.42Å; V442-V468 HydrophobicContact CG2-CG2 4.15Å; V442-V474 HydrophobicContact CG2-CG1 3.76Å; V442-A478 HydrophobicContact CG1-CB 4.1Å; V442-A478 HydrophobicContact CG2-CB 4.38Å
443D92.8Very high90Very high58 Ų5839.2 Ų39.231%0.3119%0.194SC..Hα-helixtrans-58.1-42.7178.3-68.5-18.7000111.8S439 W440 Y441 N447 Y477S439-D443 VanDerWaalsContact O-CG 3.28Å; S439-D443 PolarHBondContact O-N 3.27Å; W440-D443 PolarHBondContact O-N 2.96Å; Y441-D443 PolarHBondContact O-N 2.97Å; D443-N447 WeakPolarHBondContact O-CB 3.29Å; D443-N447 PolarHBondContact O-N 3.28Å; D443-Y477 VanDerWaalsContact CG-OH 3.22Å; D443-Y477 WeakPolarHBondContact OD1-CE1 3.45Å; D443-Y477 PolarHBondContact OD1-OH 3.18Å; D443-Y477 PolarHBondContact OD2-OH 3.35Å
444T93.7Very high89.9Confident7 Ų740.4 Ų40.44%0.04321%0.207CC..Hα-helixtrans-63.1-48.6179.8-64.20000111.6V405 L409 V427 A431 W440 Y441 V442 N447 L448V405-T444 HydrophobicContact CG1-CG2 3.47Å; V405-T444 VanDerWaalsContact CG1-CG2 3.47Å; L409-T444 HydrophobicContact CD1-CG2 4.11Å; V427-T444 HydrophobicContact CG1-CG2 4.26Å; A431-T444 HydrophobicContact CB-CG2 3.63Å; W440-T444 PolarHBondContact NE1-OG1 2.86Å; W440-T444 VanDerWaalsContact O-CB 3.23Å; W440-T444 WeakPolarHBondContact O-CB 3.43Å; W440-T444 PolarHBondContact O-N 3.43Å; W440-T444 PolarHBondContact O-OG1 3.16Å; Y441-T444 WeakPolarHBondContact O-CB 3.4Å; Y441-T444 PolarHBondContact O-N 3.31Å; V442-T444 VanDerWaalsContact C-N 3.27Å; V442-T444 PolarHBondContact O-N 3.24Å; T444-N447 PolarHBondContact O-N 3.11Å; T444-L448 WeakPolarHBondContact O-CB 3.28Å; T444-L448 PolarHBondContact O-N 3.44Å
445I93.7Very high89.7Confident0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-73.7-36.1-178.3-56-60.6000111.9A428 A431 Y441 V442 N447 L448 I449 V460 V464A428-I445 HydrophobicContact CB-CD1 4.14Å; A431-I445 HydrophobicContact CB-CD1 4.18Å; Y441-I445 HydrophobicContact CD2-CG1 4.06Å; Y441-I445 HydrophobicContact CE1-CG1 4.05Å; Y441-I445 HydrophobicContact CE2-CD1 3.92Å; Y441-I445 HydrophobicContact CE2-CG1 3.56Å; Y441-I445 WeakPolarHBondContact O-CG1 3.46Å; Y441-I445 PolarHBondContact O-N 3.45Å; V442-I445 PolarHBondContact O-N 3.23Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-L448 HydrophobicContact CD1-CD2 4.2Å; I445-L448 WeakPolarHBondContact O-CB 3.36Å; I445-L448 PolarHBondContact O-N 3.46Å; I445-I449 HydrophobicContact CG2-CD1 4.07Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.47Å; I445-I449 PolarHBondContact O-N 3.42Å; I445-V460 HydrophobicContact CG2-CG1 3.73Å; I445-V464 HydrophobicContact CB-CG2 3.68Å; I445-V464 HydrophobicContact CG1-CG2 4.08Å; I445-V464 HydrophobicContact CG2-CG2 3.23Å
446L91.6Very high89.7Confident7 Ų741.1 Ų41.14%0.03721%0.205CC..Hα-helixtrans-64.6-41.3174.3-66.6-179.9000111V442 L448 I449 R450 T481 V482 M495 V498V442-L446 HydrophobicContact CG1-CD1 3.58Å; V442-L446 HydrophobicContact CG1-CG 4.12Å; V442-L446 WeakPolarHBondContact O-CB 3.26Å; V442-L446 WeakPolarHBondContact O-CG 3.29Å; V442-L446 PolarHBondContact O-N 3.42Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 3.17Å; L446-I449 PolarHBondContact O-N 2.9Å; L446-R450 WeakPolarHBondContact O-CB 3.43Å; L446-R450 PolarHBondContact O-N 3.49Å; L446-T481 HydrophobicContact CD1-CG2 3.58Å; L446-V482 HydrophobicContact CD1-CG2 3.5Å; L446-V482 HydrophobicContact CD2-CG2 3.7Å; L446-V482 HydrophobicContact CG-CG2 4.25Å; L446-M495 HydrophobicContact CB-CE 4.12Å; L446-M495 HydrophobicContact CD2-CE 4.12Å; L446-M495 HydrophobicContact CD2-SD 3.87Å; L446-M495 VanDerWaalsContact O-CE 3.23Å; L446-M495 WeakPolarHBondContact O-CE 3.28Å; L446-V498 HydrophobicContact CD2-CG1 3.98Å
447N92.7Very high89.8Confident49 Ų4938.1 Ų38.126%0.26219%0.189SC..Hα-helixtrans-64-39172.8-166.127.6000111.7D443 T444 I445 R450 V451D443-N447 WeakPolarHBondContact O-CB 3.29Å; D443-N447 PolarHBondContact O-N 3.28Å; T444-N447 PolarHBondContact O-N 3.11Å; I445-N447 VanDerWaalsContact C-N 3.33Å; N447-R450 WeakPolarHBondContact O-CB 3.43Å; N447-R450 PolarHBondContact O-N 3.3Å; N447-R450 PolarHBondContact OD1-NE 3.11Å; N447-R450 VanDerWaalsContact OD1-NE 3.11Å; N447-R450 PolarHBondContact OD1-NH2 3.03Å; N447-V451 WeakPolarHBondContact O-CG2 3.4Å; N447-V451 PolarHBondContact O-N 3.2Å
448L93.8Very high89.7Confident0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-60-46174.6-174.267000112L409 L412 V424 V427 A428 T444 I445 L446 R450 V451 A452 V456L409-L448 HydrophobicContact CD2-CB 4.16Å; L409-L448 HydrophobicContact CD2-CD1 3.76Å; L412-L448 HydrophobicContact CD2-CD1 3.61Å; V424-L448 HydrophobicContact CB-CD1 4.35Å; V424-L448 HydrophobicContact CG1-CD1 4.31Å; V424-L448 HydrophobicContact CG1-CD2 4.11Å; V424-L448 HydrophobicContact CG1-CG 4.28Å; V424-L448 HydrophobicContact CG2-CD1 4.02Å; V427-L448 HydrophobicContact CB-CD1 4.23Å; V427-L448 HydrophobicContact CG1-CD1 4Å; V427-L448 HydrophobicContact CG1-CD2 4.25Å; A428-L448 HydrophobicContact CB-CD2 4.03Å; T444-L448 WeakPolarHBondContact O-CB 3.28Å; T444-L448 PolarHBondContact O-N 3.44Å; I445-L448 HydrophobicContact CD1-CD2 4.2Å; I445-L448 WeakPolarHBondContact O-CB 3.36Å; I445-L448 PolarHBondContact O-N 3.46Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 3.17Å; L448-R450 VanDerWaalsContact C-N 3.32Å; L448-R450 PolarHBondContact O-N 3.39Å; L448-V451 PolarHBondContact O-N 2.96Å; L448-A452 WeakPolarHBondContact O-CB 3.29Å; L448-A452 PolarHBondContact O-N 3.03Å; L448-V456 HydrophobicContact CG-CG2 4.47Å
449I91.7Very high89.5Confident0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-62.9-41.1175.7-67.5166.2000110.8I445 L446 G453 V456 W461 N494 M495 V498I445-I449 HydrophobicContact CG2-CD1 4.07Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.47Å; I445-I449 PolarHBondContact O-N 3.42Å; L446-I449 PolarHBondContact O-N 2.9Å; I449-G453 WeakPolarHBondContact O-CA 3.25Å; I449-G453 PolarHBondContact O-N 3.1Å; I449-V456 HydrophobicContact CG1-CG1 4.11Å; I449-V456 HydrophobicContact CG1-CG2 4.48Å; I449-W461 HydrophobicContact CD1-CB 4.39Å; I449-N494 HydrophobicContact CG2-CB 3.99Å; I449-M495 HydrophobicContact CB-CE 4.14Å; I449-M495 HydrophobicContact CG2-CB 3.98Å; I449-M495 HydrophobicContact CG2-CE 4.06Å; I449-V498 HydrophobicContact CD1-CG2 4.01Å
450R90Very high89.3Confident155 Ų15535.4 Ų35.459%0.58518%0.176SC*.Hα-helixtrans-62.6-42.7179-173.4-177.770.196.94.7112.2L446 N447 L448 M495L446-R450 WeakPolarHBondContact O-CB 3.43Å; L446-R450 PolarHBondContact O-N 3.49Å; N447-R450 WeakPolarHBondContact O-CB 3.43Å; N447-R450 PolarHBondContact O-N 3.3Å; N447-R450 PolarHBondContact OD1-NE 3.11Å; N447-R450 VanDerWaalsContact OD1-NE 3.11Å; N447-R450 PolarHBondContact OD1-NH2 3.03Å; L448-R450 VanDerWaalsContact C-N 3.32Å; L448-R450 PolarHBondContact O-N 3.39Å; R450-M495 HydrophobicContact CB-CE 4.37Å
451V89.7Confident89Confident27 Ų2734.5 Ų34.516%0.16417%0.172CC..Hα-helixtrans-84.2-40.5-175.8176.10000112.2L412 E413 N447 L448L412-V451 HydrophobicContact CB-CG1 4.02Å; L412-V451 HydrophobicContact CD2-CB 4.45Å; L412-V451 HydrophobicContact CD2-CG1 4.06Å; L412-V451 HydrophobicContact CG-CG1 3.88Å; E413-V451 HydrophobicContact CB-CG1 4.45Å; E413-V451 HydrophobicContact CG-CG1 3.74Å; E413-V451 HydrophobicContact CG-CG2 4.2Å; N447-V451 WeakPolarHBondContact O-CG2 3.4Å; N447-V451 PolarHBondContact O-N 3.2Å; L448-V451 PolarHBondContact O-N 2.96Å
452A87.7Confident88.9Confident5 Ų538.4 Ų38.44%0.04119%0.19CC..Hα-helixtrans-108.3-9-168.400000115.5L412 V424 L448 D454 Y455 V456L412-A452 HydrophobicContact CD2-CB 3.83Å; L412-A452 HydrophobicContact CG-CB 4.35Å; V424-A452 HydrophobicContact CG2-CB 3.36Å; L448-A452 WeakPolarHBondContact O-CB 3.29Å; L448-A452 PolarHBondContact O-N 3.03Å; A452-D454 PolarHBondContact O-N 2.94Å; A452-Y455 WeakPolarHBondContact O-CB 3.26Å; A452-Y455 WeakPolarHBondContact O-CD2 3.39Å; A452-Y455 PolarHBondContact O-N 2.77Å; A452-V456 HydrophobicContact CB-CG2 4.06Å
453G83.5Confident88.8Confident8 Ų840.3 Ų40.38%0.08220%0.198CC..G310 helixtrans35-99.316800000115.5I449 Y455 V456 H492I449-G453 WeakPolarHBondContact O-CA 3.25Å; I449-G453 PolarHBondContact O-N 3.1Å; G453-Y455 PolarHBondContact O-N 2.72Å; G453-V456 WeakPolarHBondContact O-CB 3.5Å; G453-V456 PolarHBondContact O-N 3.4Å; G453-H492 WeakPolarHBondContact CA-CD2 3.5Å; G453-H492 WeakPolarHBondContact CA-NE2 3.37Å; G453-H492 PolarHBondContact O-CE1 2.91Å; G453-H492 VanDerWaalsContact O-CE1 3.32Å
454D84.5Confident88.7Confident144 Ų14437.6 Ų37.677%0.7718%0.183SC*.G310 helixtrans-57.6-26.3-177.4-61.8-41.9000114.4A452 V456 H492A452-D454 PolarHBondContact O-N 2.94Å; D454-V456 VanDerWaalsContact C-N 3.33Å; D454-H492 PolarHBondContact N-NE2 2.9Å; D454-H492 IonicContact OD1-NE2 3.28Å; D454-H492 PolarHBondContact OD1-NE2 2.71Å
455Y85.7Confident88.6Confident67 Ų6737.5 Ų37.526%0.26318%0.182SC..G310 helixtrans-83.4-9.6178.5-63.5-74.6000113.2Y417 R420 E421 A452 G453 S457Y417-Y455 AromaticContact CD1-CE2 3.96Å; Y417-Y455 HydrophobicContact CD1-CE2 3.96Å; Y417-Y455 AromaticContact CD1-CZ 3.64Å; Y417-Y455 WeakPolarHBondContact CD1-OH 3.4Å; Y417-Y455 HydrophobicContact CE1-CE2 4.42Å; Y417-Y455 WeakPolarHBondContact CE1-OH 3.5Å; R420-Y455 HydrophobicContact CB-CD1 4.27Å; R420-Y455 HydrophobicContact CB-CD2 4.05Å; R420-Y455 HydrophobicContact CB-CE2 4.34Å; R420-Y455 HydrophobicContact CB-CG 4.05Å; E421-Y455 HydrophobicContact CB-CD1 4.06Å; A452-Y455 WeakPolarHBondContact O-CB 3.26Å; A452-Y455 WeakPolarHBondContact O-CD2 3.39Å; A452-Y455 PolarHBondContact O-N 2.77Å; G453-Y455 PolarHBondContact O-N 2.72Å; Y455-S457 PolarHBondContact O-N 2.73Å
456V86.2Confident88.4Confident5 Ų539.7 Ų39.73%0.0319%0.193CC..SBendtrans-86109.2178.4-175.10000109.3V424 L448 I449 A452 G453 D454 V460 N494V424-V456 HydrophobicContact CG1-CB 4.46Å; V424-V456 HydrophobicContact CG1-CG2 3.89Å; L448-V456 HydrophobicContact CG-CG2 4.47Å; I449-V456 HydrophobicContact CG1-CG1 4.11Å; I449-V456 HydrophobicContact CG1-CG2 4.48Å; A452-V456 HydrophobicContact CB-CG2 4.06Å; G453-V456 WeakPolarHBondContact O-CB 3.5Å; G453-V456 PolarHBondContact O-N 3.4Å; D454-V456 VanDerWaalsContact C-N 3.33Å; V456-V460 HydrophobicContact CG1-CB 3.57Å; V456-V460 HydrophobicContact CG1-CG1 3.77Å; V456-V460 HydrophobicContact CG1-CG2 4.02Å; V456-N494 PolarHBondContact O-ND2 3.48Å; V456-N494 VanDerWaalsContact O-ND2 3.12Å
457S84.7Confident88.2Confident40 Ų4040.2 Ų40.228%0.2820%0.195SC..  trans-65.3152.2176.566.80000112.2Y455 E459 V460Y455-S457 PolarHBondContact O-N 2.73Å; S457-E459 PolarHBondContact O-N 3.32Å; S457-V460 PolarHBondContact O-N 2.89Å
458D85.5Confident88.2Confident80 Ų8037.9 Ų37.943%0.42818%0.182SC..Hα-helixtrans-54.9-32.3-177.7-78.6-40.4000113.7V460 W461 H462 K497D458-V460 PolarHBondContact O-N 2.78Å; D458-W461 VanDerWaalsContact CA-CD1 3.44Å; D458-W461 PolarHBondContact O-N 3.47Å; D458-W461 PolarHBondContact O-NE1 2.77Å; D458-W461 PolarHBondContact OD1-NE1 3.33Å; D458-H462 VanDerWaalsContact O-CG 3.24Å; D458-H462 PolarHBondContact O-N 3.13Å; D458-H462 PolarHBondContact O-ND1 2.95Å; D458-K497 IonicContact OD1-NZ 3.05Å; D458-K497 PolarHBondContact OD1-NZ 3.4Å; D458-K497 VanDerWaalsContact OD1-NZ 3.08Å
459E84.1Confident88.1Confident51 Ų5138.3 Ų38.324%0.23819%0.185CC..Hα-helixtrans-57-32.3176.2-74163-163.200114.3S457 R463 I611 K614S457-E459 PolarHBondContact O-N 3.32Å; E459-R463 VanDerWaalsContact O-CB 3.26Å; E459-R463 WeakPolarHBondContact O-CB 3.21Å; E459-R463 PolarHBondContact O-N 2.87Å; E459-I611 HydrophobicContact CB-CG1 4.39Å; E459-K614 VanDerWaalsContact CD-CE 3.46Å; E459-K614 WeakPolarHBondContact OE1-CE 3.29Å; E459-K614 IonicContact OE1-NZ 3.64Å; E459-K614 PolarHBondContact OE1-NZ 2.85Å; E459-K614 WeakPolarHBondContact OE2-CD 3.26Å; E459-K614 WeakPolarHBondContact OE2-CE 3.47Å; E459-K614 IonicContact OE2-NZ 3.08Å; E459-K614 PolarHBondContact OE2-NZ 3.43Å
460V87.1Confident88Confident1 Ų140.5 Ų40.51%0.00620%0.196CC..Hα-helixtrans-69.3-45.6-177.9178.10000110.1A428 I445 V456 S457 D458 R463 V464 I611A428-V460 HydrophobicContact CB-CG1 4.25Å; A428-V460 HydrophobicContact CB-CG2 4.29Å; I445-V460 HydrophobicContact CG2-CG1 3.73Å; V456-V460 HydrophobicContact CG1-CB 3.57Å; V456-V460 HydrophobicContact CG1-CG1 3.77Å; V456-V460 HydrophobicContact CG1-CG2 4.02Å; S457-V460 PolarHBondContact O-N 2.89Å; D458-V460 PolarHBondContact O-N 2.78Å; V460-R463 WeakPolarHBondContact O-CB 3.47Å; V460-R463 PolarHBondContact O-N 2.94Å; V460-V464 PolarHBondContact O-N 2.98Å; V460-V464 VanDerWaalsContact O-N 3.14Å; V460-I611 HydrophobicContact CG2-CD1 4.22Å
461W86.4Confident88Confident19 Ų1937.9 Ų37.97%0.07219%0.186CC..Hα-helixtrans-73.9-37.8179.778.1-104.8000111.5I449 D458 R463 V464 I465 K497 V498 Y501 L539I449-W461 HydrophobicContact CD1-CB 4.39Å; D458-W461 VanDerWaalsContact CA-CD1 3.44Å; D458-W461 PolarHBondContact O-N 3.47Å; D458-W461 PolarHBondContact O-NE1 2.77Å; D458-W461 PolarHBondContact OD1-NE1 3.33Å; W461-R463 PolarHBondContact O-N 3.24Å; W461-V464 PolarHBondContact O-N 2.67Å; W461-I465 HydrophobicContact CE3-CG1 3.96Å; W461-I465 HydrophobicContact CZ3-CG1 4.16Å; W461-I465 WeakPolarHBondContact O-CG1 3.43Å; W461-I465 PolarHBondContact O-N 3.42Å; W461-I465 VanDerWaalsContact O-N 3.15Å; W461-K497 HydrophobicContact CD2-CB 4.42Å; W461-K497 HydrophobicContact CD2-CD 4.49Å; W461-K497 HydrophobicContact CE3-CB 4.42Å; W461-K497 HydrophobicContact CZ2-CD 3.87Å; W461-V498 HydrophobicContact CB-CG2 3.57Å; W461-V498 HydrophobicContact CE3-CG2 4.46Å; W461-V498 HydrophobicContact CG-CG2 4.41Å; W461-Y501 HydrophobicContact CZ3-CD2 4.47Å; W461-L539 HydrophobicContact CH2-CD1 4.16Å; W461-L539 HydrophobicContact CZ3-CD1 4.49Å
462H90.3Very high88Confident84 Ų8444.3 Ų44.339%0.38922%0.215SC..Hα-helixtrans-54.9-39.6170.4-67.6136.7000111.1D458 I465 Q466D458-H462 VanDerWaalsContact O-CG 3.24Å; D458-H462 PolarHBondContact O-N 3.13Å; D458-H462 PolarHBondContact O-ND1 2.95Å; H462-I465 PolarHBondContact O-N 2.81Å; H462-Q466 WeakPolarHBondContact O-CG 3.14Å; H462-Q466 PolarHBondContact O-N 2.94Å
463R88.7Confident88.1Confident40 Ų4050.2 Ų50.215%0.15125%0.246CC..Hα-helixtrans-67.7-41.4179.8-173.855.7169.8174.23.5112.9E432 E459 V460 W461 I465 Q466 I467 I611E432-R463 IonicContact OE1-CZ 3.28Å; E432-R463 IonicContact OE1-NE 2.81Å; E432-R463 PolarHBondContact OE1-NE 3.27Å; E432-R463 IonicContact OE1-NH2 2.82Å; E432-R463 PolarHBondContact OE1-NH2 2.7Å; E432-R463 IonicContact OE2-NE 3.18Å; E459-R463 VanDerWaalsContact O-CB 3.26Å; E459-R463 WeakPolarHBondContact O-CB 3.21Å; E459-R463 PolarHBondContact O-N 2.87Å; V460-R463 WeakPolarHBondContact O-CB 3.47Å; V460-R463 PolarHBondContact O-N 2.94Å; W461-R463 PolarHBondContact O-N 3.24Å; R463-I465 VanDerWaalsContact C-N 3.25Å; R463-I465 PolarHBondContact O-N 2.94Å; R463-Q466 PolarHBondContact O-N 2.8Å; R463-I467 HydrophobicContact CG-CD1 4.03Å; R463-I467 WeakPolarHBondContact O-CG1 3.47Å; R463-I467 PolarHBondContact O-N 3.43Å; R463-I611 HydrophobicContact CB-CD1 3.98Å; R463-I611 HydrophobicContact CG-CD1 4.07Å
464V90.6Very high88.6Confident0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-56.4-44.6173.3174.80000110.6Y441 I445 V460 W461 Q466 I467 V468 V498 I502Y441-V464 HydrophobicContact CE1-CG2 4.28Å; I445-V464 HydrophobicContact CB-CG2 3.68Å; I445-V464 HydrophobicContact CG1-CG2 4.08Å; I445-V464 HydrophobicContact CG2-CG2 3.23Å; V460-V464 PolarHBondContact O-N 2.98Å; V460-V464 VanDerWaalsContact O-N 3.14Å; W461-V464 PolarHBondContact O-N 2.67Å; V464-Q466 PolarHBondContact O-N 3.44Å; V464-I467 PolarHBondContact O-N 2.85Å; V464-V468 HydrophobicContact CG1-CG2 4.28Å; V464-V468 VanDerWaalsContact O-CG2 3.31Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.15Å; V464-V498 HydrophobicContact CG1-CG1 4.36Å; V464-I502 HydrophobicContact CG1-CD1 4.49Å
465I91.7Very high89.1Confident5 Ų543.9 Ų43.93%0.02621%0.21CC..Hα-helixtrans-60.7-46.1178.2-63.1-52.1000111.6W461 H462 R463 I467 V468 I469 V498 Y501 I502W461-I465 HydrophobicContact CE3-CG1 3.96Å; W461-I465 HydrophobicContact CZ3-CG1 4.16Å; W461-I465 WeakPolarHBondContact O-CG1 3.43Å; W461-I465 PolarHBondContact O-N 3.42Å; W461-I465 VanDerWaalsContact O-N 3.15Å; H462-I465 PolarHBondContact O-N 2.81Å; R463-I465 VanDerWaalsContact C-N 3.25Å; R463-I465 PolarHBondContact O-N 2.94Å; I465-I467 VanDerWaalsContact C-N 3.33Å; I465-I467 PolarHBondContact O-N 2.87Å; I465-V468 PolarHBondContact O-N 3.24Å; I465-I469 HydrophobicContact CG2-CD1 3.51Å; I465-I469 HydrophobicContact CG2-CG1 4.41Å; I465-I469 WeakPolarHBondContact O-CB 3.48Å; I465-I469 WeakPolarHBondContact O-CG1 3.42Å; I465-I469 PolarHBondContact O-N 2.84Å; I465-V498 HydrophobicContact CD1-CG1 4.2Å; I465-Y501 HydrophobicContact CD1-CD1 4.41Å; I465-Y501 HydrophobicContact CD1-CG 4.1Å; I465-Y501 HydrophobicContact CG1-CG 4.28Å; I465-Y501 HydrophobicContact CG2-CD1 3.77Å; I465-Y501 HydrophobicContact CG2-CD2 4.23Å; I465-Y501 HydrophobicContact CG2-CE1 3.74Å; I465-Y501 HydrophobicContact CG2-CE2 4.18Å; I465-Y501 HydrophobicContact CG2-CG 4.02Å; I465-I502 HydrophobicContact CD1-CD1 3.95Å; I465-I502 HydrophobicContact CD1-CG1 3.5Å; I465-I502 VanDerWaalsContact CD1-CG1 3.5Å
466Q90.4Very high89.4Confident47 Ų4741.9 Ų41.922%0.2221%0.209CC..Hα-helixtrans-59.3-42.8176.8-69.7173.5-4.900112.6H462 R463 V464 N470 F604H462-Q466 WeakPolarHBondContact O-CG 3.14Å; H462-Q466 PolarHBondContact O-N 2.94Å; R463-Q466 PolarHBondContact O-N 2.8Å; V464-Q466 PolarHBondContact O-N 3.44Å; Q466-N470 WeakPolarHBondContact O-CB 3.25Å; Q466-N470 VanDerWaalsContact O-CG 3.3Å; Q466-N470 PolarHBondContact O-N 2.76Å; Q466-N470 VanDerWaalsContact O-N 3.1Å; Q466-N470 PolarHBondContact O-OD1 2.72Å; Q466-F604 HydrophobicContact CB-CD2 4.09Å; Q466-F604 HydrophobicContact CB-CG 4.35Å; Q466-F604 HydrophobicContact CG-CB 4.37Å; Q466-F604 HydrophobicContact CG-CD1 4.1Å; Q466-F604 HydrophobicContact CG-CD2 3.8Å; Q466-F604 HydrophobicContact CG-CE1 4.35Å; Q466-F604 HydrophobicContact CG-CE2 4.07Å; Q466-F604 HydrophobicContact CG-CG 3.82Å; Q466-F604 HydrophobicContact CG-CZ 4.34Å
467I88.3Confident89.8Confident17 Ų1745.9 Ų45.99%0.08722%0.224CC..Hα-helixtrans-68.1-43.3-178.6-71.5167.8000110.8E432 Y438 Y441 R463 V464 I465 R471E432-I467 HydrophobicContact CG-CD1 4.47Å; Y438-I467 HydrophobicContact CD1-CG2 3.66Å; Y438-I467 HydrophobicContact CE1-CG2 3.97Å; Y441-I467 HydrophobicContact CD1-CD1 4.2Å; Y441-I467 HydrophobicContact CD1-CG2 4.19Å; Y441-I467 HydrophobicContact CE1-CB 4.25Å; Y441-I467 HydrophobicContact CE1-CD1 3.39Å; Y441-I467 HydrophobicContact CE1-CG1 4.41Å; Y441-I467 HydrophobicContact CE1-CG2 4.14Å; Y441-I467 HydrophobicContact CE2-CD1 4.24Å; Y441-I467 VanDerWaalsContact CZ-CD1 3.41Å; Y441-I467 WeakPolarHBondContact OH-CD1 3.39Å; R463-I467 HydrophobicContact CG-CD1 4.03Å; R463-I467 WeakPolarHBondContact O-CG1 3.47Å; R463-I467 PolarHBondContact O-N 3.43Å; V464-I467 PolarHBondContact O-N 2.85Å; I465-I467 VanDerWaalsContact C-N 3.33Å; I465-I467 PolarHBondContact O-N 2.87Å; I467-R471 WeakPolarHBondContact O-CB 3.4Å; I467-R471 PolarHBondContact O-N 2.89Å
468V92.2Very high90.3Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-66.9-41.7178.9175.10000111.3V442 V464 I465 N470 R471 Q475 A478 I502 F506V442-V468 HydrophobicContact CG2-CG2 4.15Å; V464-V468 HydrophobicContact CG1-CG2 4.28Å; V464-V468 VanDerWaalsContact O-CG2 3.31Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.15Å; I465-V468 PolarHBondContact O-N 3.24Å; V468-N470 PolarHBondContact O-N 2.78Å; V468-R471 PolarHBondContact O-N 2.92Å; V468-Q475 HydrophobicContact CG1-CG 4.06Å; V468-Q475 VanDerWaalsContact O-CG 3.26Å; V468-Q475 WeakPolarHBondContact O-CG 3.44Å; V468-A478 HydrophobicContact CG1-CB 3.95Å; V468-A478 HydrophobicContact CG2-CB 3.88Å; V468-I502 HydrophobicContact CB-CD1 4.45Å; V468-I502 HydrophobicContact CG1-CD1 4.3Å; V468-I502 HydrophobicContact CG1-CG1 4.46Å; V468-I502 HydrophobicContact CG2-CD1 4.1Å; V468-F506 HydrophobicContact CG1-CD2 4.08Å; V468-F506 HydrophobicContact CG1-CE2 3.93Å
469I91.6Very high90.9Very high10 Ų1040.1 Ų40.15%0.05119%0.191CC..Hα-helixtrans-64.5-41.7178.4-74.7167.1000111.4I465 R471 Q475 Y501 F506 M601 F604I465-I469 HydrophobicContact CG2-CD1 3.51Å; I465-I469 HydrophobicContact CG2-CG1 4.41Å; I465-I469 WeakPolarHBondContact O-CB 3.48Å; I465-I469 WeakPolarHBondContact O-CG1 3.42Å; I465-I469 PolarHBondContact O-N 2.84Å; I469-R471 PolarHBondContact O-N 3.04Å; I469-Q475 PolarHBondContact O-NE2 3.49Å; I469-Y501 HydrophobicContact CD1-CD1 4.46Å; I469-Y501 HydrophobicContact CD1-CE1 3.76Å; I469-F506 HydrophobicContact CG1-CE2 3.92Å; I469-F506 HydrophobicContact CG1-CZ 3.98Å; I469-M601 HydrophobicContact CD1-CB 4.04Å; I469-M601 HydrophobicContact CD1-CG 4.16Å; I469-M601 HydrophobicContact CG2-CB 4.43Å; I469-F604 HydrophobicContact CB-CD2 4.36Å; I469-F604 HydrophobicContact CB-CE2 4.28Å; I469-F604 HydrophobicContact CD1-CE2 3.7Å; I469-F604 HydrophobicContact CG2-CD2 4.13Å; I469-F604 HydrophobicContact CG2-CE2 4.17Å
470N90.1Very high91.4Very high45 Ų4543.2 Ų43.224%0.24120%0.203CC..THydrogen-bonded Turntrans-73.9-2.2-179.1-73.430.1000114.4Q466 V468 P603 F604Q466-N470 WeakPolarHBondContact O-CB 3.25Å; Q466-N470 VanDerWaalsContact O-CG 3.3Å; Q466-N470 PolarHBondContact O-N 2.76Å; Q466-N470 VanDerWaalsContact O-N 3.1Å; Q466-N470 PolarHBondContact O-OD1 2.72Å; V468-N470 PolarHBondContact O-N 2.78Å; N470-P603 WeakPolarHBondContact OD1-CA 3.34Å; N470-F604 PolarHBondContact ND2-O 2.88Å; N470-F604 PolarHBondContact OD1-N 2.97Å
471R88.6Confident91.7Very high100 Ų10044.2 Ų44.238%0.37721%0.21SC..  trans-139.296.7-171.4-70-68.8-178.2-100.32.5112.6I467 V468 I469 D473 V474 Q475I467-R471 WeakPolarHBondContact O-CB 3.4Å; I467-R471 PolarHBondContact O-N 2.89Å; V468-R471 PolarHBondContact O-N 2.92Å; I469-R471 PolarHBondContact O-N 3.04Å; R471-D473 VanDerWaalsContact C-N 3.29Å; R471-D473 PolarHBondContact O-N 2.84Å; R471-V474 HydrophobicContact CB-CB 4.5Å; R471-V474 HydrophobicContact CB-CG2 4.19Å; R471-V474 PolarHBondContact O-N 2.88Å; R471-Q475 WeakPolarHBondContact O-CG 3.33Å
472E89.6Confident92.2Very high163 Ų16343.3 Ų43.376%0.76221%0.206SC*.Hα-helixtrans-58.4-35.7-179.4-66.1179.6-173.800114.1V474 Q475E472-V474 PolarHBondContact O-N 2.67Å; E472-Q475 PolarHBondContact O-N 3.33Å
473D91.2Very high92.4Very high128 Ų12839.7 Ų39.768%0.68419%0.189SC*.Hα-helixtrans-65-23.5-177.960.5-49.2000113.7R471R471-D473 VanDerWaalsContact C-N 3.29Å; R471-D473 PolarHBondContact O-N 2.84Å
474V92.5Very high92.7Very high3 Ų342.9 Ų42.92%0.01821%0.206CC..Hα-helixtrans-99.3-19.9-177-171.70000112Y438 V442 R471 E472 G476 Y477 A478Y438-V474 HydrophobicContact CG-CG2 4.45Å; V442-V474 HydrophobicContact CG2-CG1 3.76Å; R471-V474 HydrophobicContact CB-CB 4.5Å; R471-V474 HydrophobicContact CB-CG2 4.19Å; R471-V474 PolarHBondContact O-N 2.88Å; E472-V474 PolarHBondContact O-N 2.67Å; V474-G476 PolarHBondContact O-N 3.31Å; V474-Y477 PolarHBondContact O-N 3.34Å; V474-Y477 VanDerWaalsContact O-N 3.16Å; V474-A478 WeakPolarHBondContact O-CB 3.45Å; V474-A478 PolarHBondContact O-N 2.88Å
475Q94.9Very high92.8Very high17 Ų1744.2 Ų44.28%0.07922%0.217CC..Hα-helixtrans-55.9-50-173-72.9166.8-100112.9V468 I469 R471 E472 Y477 A478 A479 F506 L509V468-Q475 HydrophobicContact CG1-CG 4.06Å; V468-Q475 VanDerWaalsContact O-CG 3.26Å; V468-Q475 WeakPolarHBondContact O-CG 3.44Å; I469-Q475 PolarHBondContact O-NE2 3.49Å; R471-Q475 WeakPolarHBondContact O-CG 3.33Å; E472-Q475 PolarHBondContact O-N 3.33Å; Q475-Y477 VanDerWaalsContact C-N 3.33Å; Q475-Y477 PolarHBondContact O-N 3.34Å; Q475-A478 PolarHBondContact O-N 2.95Å; Q475-A479 WeakPolarHBondContact O-CB 3.5Å; Q475-A479 PolarHBondContact O-N 3.33Å; Q475-F506 HydrophobicContact CB-CB 4.26Å; Q475-F506 HydrophobicContact CB-CD1 3.96Å; Q475-F506 HydrophobicContact CB-CD2 4.09Å; Q475-F506 HydrophobicContact CB-CE1 4.36Å; Q475-F506 HydrophobicContact CB-CE2 4.47Å; Q475-F506 HydrophobicContact CB-CG 3.82Å; Q475-F506 VanDerWaalsContact CD-CZ 3.41Å; Q475-F506 HydrophobicContact CG-CD1 3.84Å; Q475-F506 HydrophobicContact CG-CD2 3.87Å; Q475-F506 HydrophobicContact CG-CE1 3.73Å; Q475-F506 HydrophobicContact CG-CE2 3.75Å; Q475-F506 HydrophobicContact CG-CG 3.92Å; Q475-F506 HydrophobicContact CG-CZ 3.68Å; Q475-F506 VanDerWaalsContact NE2-CE1 3.3Å; Q475-F506 VanDerWaalsContact NE2-CZ 3.31Å; Q475-F506 VanDerWaalsContact OE1-CE1 3.29Å; Q475-L509 HydrophobicContact CB-CD1 3.82Å
476G93.6Very high92.9Very high25 Ų2544 Ų4426%0.25822%0.216SC..Hα-helixtrans-63.6-38.9179.600000112.7V474 K480V474-G476 PolarHBondContact O-N 3.31Å; G476-K480 PolarHBondContact O-N 3.05Å
477Y94.4Very high93Very high88 Ų8847.1 Ų47.135%0.34523%0.23SC..Hα-helixtrans-65.4-49.9175.1-178.1-100000111.1D443 V474 Q475 A479 K480 T481D443-Y477 VanDerWaalsContact CG-OH 3.22Å; D443-Y477 WeakPolarHBondContact OD1-CE1 3.45Å; D443-Y477 PolarHBondContact OD1-OH 3.18Å; D443-Y477 PolarHBondContact OD2-OH 3.35Å; V474-Y477 PolarHBondContact O-N 3.34Å; V474-Y477 VanDerWaalsContact O-N 3.16Å; Q475-Y477 VanDerWaalsContact C-N 3.33Å; Q475-Y477 PolarHBondContact O-N 3.34Å; Y477-A479 VanDerWaalsContact C-N 3.34Å; Y477-A479 PolarHBondContact O-N 2.87Å; Y477-K480 WeakPolarHBondContact O-CB 3.47Å; Y477-K480 PolarHBondContact O-N 3.32Å; Y477-K480 VanDerWaalsContact O-N 3.15Å; Y477-T481 WeakPolarHBondContact CE1-OG1 3.28Å; Y477-T481 PolarHBondContact O-N 3.01Å; Y477-T481 PolarHBondContact O-OG1 2.99Å; Y477-T481 VanDerWaalsContact O-OG1 3.05Å
478A95.6Very high93.1Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-60.5-42179.600000112.1V442 V468 V474 Q475 K480 T481 V482 I502V442-A478 HydrophobicContact CG1-CB 4.1Å; V442-A478 HydrophobicContact CG2-CB 4.38Å; V468-A478 HydrophobicContact CG1-CB 3.95Å; V468-A478 HydrophobicContact CG2-CB 3.88Å; V474-A478 WeakPolarHBondContact O-CB 3.45Å; V474-A478 PolarHBondContact O-N 2.88Å; Q475-A478 PolarHBondContact O-N 2.95Å; A478-K480 VanDerWaalsContact C-N 3.34Å; A478-K480 PolarHBondContact O-N 3.47Å; A478-T481 PolarHBondContact O-N 3.4Å; A478-V482 WeakPolarHBondContact O-CB 3.29Å; A478-V482 VanDerWaalsContact O-CG2 3.27Å; A478-V482 WeakPolarHBondContact O-CG2 3.27Å; A478-V482 PolarHBondContact O-N 2.87Å; A478-I502 HydrophobicContact CB-CD1 4.29Å; A478-I502 HydrophobicContact CB-CG2 4.39Å
479A96.2Very high92.7Very high0 Ų054.2 Ų54.20%028%0.281CS..Hα-helixtrans-58.6-46175.100000111.4Q475 Y477 F483 I502 L503 F506 I510Q475-A479 WeakPolarHBondContact O-CB 3.5Å; Q475-A479 PolarHBondContact O-N 3.33Å; Y477-A479 VanDerWaalsContact C-N 3.34Å; Y477-A479 PolarHBondContact O-N 2.87Å; A479-F483 VanDerWaalsContact O-CB 3.25Å; A479-F483 WeakPolarHBondContact O-CB 3.39Å; A479-F483 PolarHBondContact O-N 3.19Å; A479-I502 HydrophobicContact CB-CG2 4.08Å; A479-L503 HydrophobicContact CB-CD2 4.34Å; A479-F506 HydrophobicContact CB-CB 4.41Å; A479-I510 HydrophobicContact CB-CD1 4.35Å; A479-I510 HydrophobicContact CB-CG2 4.04Å
480K95.5Very high92.2Very high115 Ų11557.9 Ų57.950%0.531%0.313SS..Hα-helixtrans-62.8-50.5176.7-175-178.7173.3-173.20112G476 Y477 A478 V482 F483 E484 I510G476-K480 PolarHBondContact O-N 3.05Å; Y477-K480 WeakPolarHBondContact O-CB 3.47Å; Y477-K480 PolarHBondContact O-N 3.32Å; Y477-K480 VanDerWaalsContact O-N 3.15Å; A478-K480 VanDerWaalsContact C-N 3.34Å; A478-K480 PolarHBondContact O-N 3.47Å; K480-V482 VanDerWaalsContact C-N 3.35Å; K480-V482 PolarHBondContact O-N 3.08Å; K480-F483 WeakPolarHBondContact O-CB 3.48Å; K480-F483 PolarHBondContact O-N 3.2Å; K480-E484 WeakPolarHBondContact CE-OE1 3.45Å; K480-E484 WeakPolarHBondContact O-CG 3.26Å; K480-E484 PolarHBondContact O-N 3.33Å; K480-I510 HydrophobicContact CB-CG2 4.01Å
481T94.2Very high92.1Very high23 Ų2357.4 Ų57.414%0.14131%0.312CS..Hα-helixtrans-63.8-40.2-176.7-53.60000111.7L446 Y477 A478 E484 A485L446-T481 HydrophobicContact CD1-CG2 3.58Å; Y477-T481 WeakPolarHBondContact CE1-OG1 3.28Å; Y477-T481 PolarHBondContact O-N 3.01Å; Y477-T481 PolarHBondContact O-OG1 2.99Å; Y477-T481 VanDerWaalsContact O-OG1 3.05Å; A478-T481 PolarHBondContact O-N 3.4Å; T481-E484 PolarHBondContact O-N 3Å; T481-A485 WeakPolarHBondContact O-CB 3.46Å; T481-A485 PolarHBondContact O-N 3.23Å
482V95.4Very high92.2Very high0 Ų055 Ų550%031%0.305CS..Hα-helixtrans-71.9-37.8177-177.60000111.7L446 A478 K480 E484 A485 L486 M495 V498 I502L446-V482 HydrophobicContact CD1-CG2 3.5Å; L446-V482 HydrophobicContact CD2-CG2 3.7Å; L446-V482 HydrophobicContact CG-CG2 4.25Å; A478-V482 WeakPolarHBondContact O-CB 3.29Å; A478-V482 VanDerWaalsContact O-CG2 3.27Å; A478-V482 WeakPolarHBondContact O-CG2 3.27Å; A478-V482 PolarHBondContact O-N 2.87Å; K480-V482 VanDerWaalsContact C-N 3.35Å; K480-V482 PolarHBondContact O-N 3.08Å; V482-E484 VanDerWaalsContact C-N 3.33Å; V482-E484 PolarHBondContact O-N 3.4Å; V482-A485 PolarHBondContact O-N 3.19Å; V482-L486 HydrophobicContact CG1-CD1 4.19Å; V482-L486 HydrophobicContact CG1-CG 4.2Å; V482-L486 WeakPolarHBondContact O-CB 3.46Å; V482-L486 VanDerWaalsContact O-CG 3.29Å; V482-L486 WeakPolarHBondContact O-CG 3.37Å; V482-L486 PolarHBondContact O-N 2.99Å; V482-M495 HydrophobicContact CG1-SD 4.35Å; V482-V498 HydrophobicContact CG2-CG1 4.08Å; V482-I502 HydrophobicContact CG2-CD1 4.14Å
483F96Very high92.3Very high8 Ų849.4 Ų49.44%0.03528%0.279CS..Hα-helixtrans-57.2-47.4172.9177.1-104000111.3A479 K480 A485 L486 Q487 L503 I510 R515 V520 Q521 L524A479-F483 VanDerWaalsContact O-CB 3.25Å; A479-F483 WeakPolarHBondContact O-CB 3.39Å; A479-F483 PolarHBondContact O-N 3.19Å; K480-F483 WeakPolarHBondContact O-CB 3.48Å; K480-F483 PolarHBondContact O-N 3.2Å; F483-A485 PolarHBondContact O-N 3.19Å; F483-L486 PolarHBondContact O-N 3.48Å; F483-Q487 WeakPolarHBondContact O-CG 3.32Å; F483-Q487 PolarHBondContact O-N 2.8Å; F483-L503 HydrophobicContact CB-CD2 4.24Å; F483-L503 HydrophobicContact CD2-CD1 4.44Å; F483-I510 HydrophobicContact CB-CD1 3.82Å; F483-I510 HydrophobicContact CG-CD1 4.08Å; F483-R515 VanDerWaalsContact CZ-O 3.3Å; F483-R515 WeakPolarHBondContact CZ-O 3.42Å; F483-V520 HydrophobicContact CE2-CG1 4.35Å; F483-V520 HydrophobicContact CZ-CG1 3.97Å; F483-Q521 HydrophobicContact CD2-CG 4.11Å; F483-Q521 HydrophobicContact CE2-CG 3.99Å; F483-L524 HydrophobicContact CD2-CD2 3.69Å; F483-L524 HydrophobicContact CE2-CD2 3.56Å; F483-L524 HydrophobicContact CZ-CD2 4.32Å
484E93.8Very high92.3Very high106 Ų10643.8 Ų43.850%0.49525%0.249SC..Hα-helixtrans-61.4-42.8175.5-70.7175.8-17600111.8K480 T481 V482 L486 Q487K480-E484 WeakPolarHBondContact CE-OE1 3.45Å; K480-E484 WeakPolarHBondContact O-CG 3.26Å; K480-E484 PolarHBondContact O-N 3.33Å; T481-E484 PolarHBondContact O-N 3Å; V482-E484 VanDerWaalsContact C-N 3.33Å; V482-E484 PolarHBondContact O-N 3.4Å; E484-L486 VanDerWaalsContact C-N 3.32Å; E484-L486 PolarHBondContact O-N 3.48Å; E484-Q487 WeakPolarHBondContact O-CB 3.42Å; E484-Q487 PolarHBondContact O-N 3.19Å
485A92.3Very high92.4Very high29 Ų2943.9 Ų43.924%0.2425%0.25CC..Hα-helixtrans-63.3-35.5177.300000113.1T481 V482 F483 Q487 A488 M495T481-A485 WeakPolarHBondContact O-CB 3.46Å; T481-A485 PolarHBondContact O-N 3.23Å; V482-A485 PolarHBondContact O-N 3.19Å; F483-A485 PolarHBondContact O-N 3.19Å; A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 3.13Å; A485-A488 WeakPolarHBondContact O-CB 3.05Å; A485-A488 PolarHBondContact O-N 2.96Å; A485-M495 HydrophobicContact CB-CE 4.11Å; A485-M495 HydrophobicContact CB-CG 4.42Å; A485-M495 HydrophobicContact CB-SD 3.91Å
486L94Very high92.4Very high1 Ų143.1 Ų43.11%0.00525%0.246CC..Hα-helixtrans-71.3-21.2178.8-74.7175.1000113.7V482 F483 E484 A488 M495 V496 L503 L524 L525V482-L486 HydrophobicContact CG1-CD1 4.19Å; V482-L486 HydrophobicContact CG1-CG 4.2Å; V482-L486 WeakPolarHBondContact O-CB 3.46Å; V482-L486 VanDerWaalsContact O-CG 3.29Å; V482-L486 WeakPolarHBondContact O-CG 3.37Å; V482-L486 PolarHBondContact O-N 2.99Å; F483-L486 PolarHBondContact O-N 3.48Å; E484-L486 VanDerWaalsContact C-N 3.32Å; E484-L486 PolarHBondContact O-N 3.48Å; L486-A488 PolarHBondContact O-N 3.42Å; L486-M495 HydrophobicContact CD2-CG 4.14Å; L486-V496 HydrophobicContact CD2-CG2 4.23Å; L486-L503 HydrophobicContact CD1-CD1 3.94Å; L486-L524 HydrophobicContact CB-CD2 3.72Å; L486-L524 HydrophobicContact CB-CG 4.1Å; L486-L525 HydrophobicContact CD1-CD2 3.64Å
487Q93.5Very high92.5Very high111 Ų11143.1 Ų43.152%0.51924%0.239SC..THydrogen-bonded Turntrans-65.2-17.1176.2-67.8179.30.600112.8F483 E484 A485 L524F483-Q487 WeakPolarHBondContact O-CG 3.32Å; F483-Q487 PolarHBondContact O-N 2.8Å; E484-Q487 WeakPolarHBondContact O-CB 3.42Å; E484-Q487 PolarHBondContact O-N 3.19Å; A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 3.13Å; Q487-L524 HydrophobicContact CG-CD2 3.99Å
488A89.2Confident92.5Very high39 Ų3938.9 Ų38.932%0.32222%0.223SC..SBendtrans-58137.1173.800000111.2A485 L486 A490 K528A485-A488 WeakPolarHBondContact O-CB 3.05Å; A485-A488 PolarHBondContact O-N 2.96Å; L486-A488 PolarHBondContact O-N 3.42Å; A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.24Å; A488-K528 PolarHBondContact O-NZ 3.22Å
489P84Confident92.5Very high128 Ų12838.9 Ų38.983%0.83122%0.223SC*.SBendtrans-62.1-38.4-178.422.7-32.2000111.8K528P489-K528 PolarHBondContact O-NZ 3.41Å
490A82.6Confident92.5Very high87 Ų8738.9 Ų38.972%0.71922%0.223SC*.SBendtrans-110.6117.4170.900000109.2A488A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.24Å
491C87.7Confident92.5Very high34 Ų3436 Ų3623%0.2321%0.209CC..  trans-124.3139.6173.156.70000109V496 K528C491-V496 VanDerWaalsContact SG-CG2 3.51Å; C491-K528 VanDerWaalsContact SG-CE 3.55Å
492H90.4Very high92.6Very high49 Ų4935 Ų3523%0.22720%0.202CC..  trans-66.3147.5175.7-173.9-97.8000110.2G453 D454 N494 M495 V496G453-H492 WeakPolarHBondContact CA-CD2 3.5Å; G453-H492 WeakPolarHBondContact CA-NE2 3.37Å; G453-H492 PolarHBondContact O-CE1 2.91Å; G453-H492 VanDerWaalsContact O-CE1 3.32Å; D454-H492 PolarHBondContact N-NE2 2.9Å; D454-H492 IonicContact OD1-NE2 3.28Å; D454-H492 PolarHBondContact OD1-NE2 2.71Å; H492-N494 VanDerWaalsContact C-N 3.26Å; H492-N494 PolarHBondContact CE1-ND2 3.5Å; H492-N494 WeakPolarHBondContact ND1-CB 3.49Å; H492-N494 PolarHBondContact ND1-N 2.89Å; H492-N494 VanDerWaalsContact ND1-N 3.13Å; H492-N494 PolarHBondContact O-N 3.34Å; H492-M495 WeakPolarHBondContact O-CA 3.31Å; H492-M495 WeakPolarHBondContact O-CB 3.44Å; H492-M495 PolarHBondContact O-N 3.12Å; H492-V496 PolarHBondContact O-N 3.34Å
493E91.3Very high92.6Very high46 Ų4635 Ų3522%0.21520%0.202CC..Hα-helixtrans-59.7-35.7-176-173.6171.4-172.100113M495 V496 K497 C532 T533 T536E493-M495 PolarHBondContact O-N 2.9Å; E493-V496 CarbonylContact O-C 3.26Å; E493-V496 WeakPolarHBondContact O-CA 3.44Å; E493-V496 WeakPolarHBondContact O-CB 3.42Å; E493-V496 PolarHBondContact O-N 2.99Å; E493-K497 PolarHBondContact O-N 2.83Å; E493-C532 HydrophobicContact CG-CB 4.43Å; E493-T533 VanDerWaalsContact OE1-CB 3.23Å; E493-T533 WeakPolarHBondContact OE1-CB 3.28Å; E493-T533 WeakPolarHBondContact OE1-CG2 3.22Å; E493-T533 PolarHBondContact OE1-N 2.68Å; E493-T533 PolarHBondContact OE1-OG1 3.21Å; E493-T533 VanDerWaalsContact OE2-CG2 3.27Å; E493-T533 WeakPolarHBondContact OE2-CG2 3.28Å; E493-T536 VanDerWaalsContact CD-OG1 3.31Å; E493-T536 HydrophobicContact CG-CG2 4.06Å; E493-T536 WeakPolarHBondContact CG-OG1 3.39Å; E493-T536 WeakPolarHBondContact OE1-CB 3.4Å; E493-T536 PolarHBondContact OE1-OG1 3.32Å
494N91.6Very high92.6Very high10 Ų1034.7 Ų34.75%0.05320%0.202CC..Hα-helixtrans-61.7-32173.4-67.6-18.9000112.6I449 V456 H492 V496 K497 V498I449-N494 HydrophobicContact CG2-CB 3.99Å; V456-N494 PolarHBondContact O-ND2 3.48Å; V456-N494 VanDerWaalsContact O-ND2 3.12Å; H492-N494 VanDerWaalsContact C-N 3.26Å; H492-N494 PolarHBondContact CE1-ND2 3.5Å; H492-N494 WeakPolarHBondContact ND1-CB 3.49Å; H492-N494 PolarHBondContact ND1-N 2.89Å; H492-N494 VanDerWaalsContact ND1-N 3.13Å; H492-N494 PolarHBondContact O-N 3.34Å; N494-V496 VanDerWaalsContact C-N 3.32Å; N494-K497 PolarHBondContact O-N 3.18Å; N494-K497 PolarHBondContact OD1-NZ 2.83Å; N494-K497 VanDerWaalsContact OD1-NZ 3.1Å; N494-V498 WeakPolarHBondContact O-CG2 3.42Å; N494-V498 PolarHBondContact O-N 3.3Å
495M94.4Very high92.5Very high5 Ų530 Ų303%0.02518%0.18CC..Hα-helixtrans-66.6-38.1172.4-17461.974.100110.8L446 I449 R450 V482 A485 L486 H492 E493 V498 G499L446-M495 HydrophobicContact CB-CE 4.12Å; L446-M495 HydrophobicContact CD2-CE 4.12Å; L446-M495 HydrophobicContact CD2-SD 3.87Å; L446-M495 VanDerWaalsContact O-CE 3.23Å; L446-M495 WeakPolarHBondContact O-CE 3.28Å; I449-M495 HydrophobicContact CB-CE 4.14Å; I449-M495 HydrophobicContact CG2-CB 3.98Å; I449-M495 HydrophobicContact CG2-CE 4.06Å; R450-M495 HydrophobicContact CB-CE 4.37Å; V482-M495 HydrophobicContact CG1-SD 4.35Å; A485-M495 HydrophobicContact CB-CE 4.11Å; A485-M495 HydrophobicContact CB-CG 4.42Å; A485-M495 HydrophobicContact CB-SD 3.91Å; L486-M495 HydrophobicContact CD2-CG 4.14Å; H492-M495 WeakPolarHBondContact O-CA 3.31Å; H492-M495 WeakPolarHBondContact O-CB 3.44Å; H492-M495 PolarHBondContact O-N 3.12Å; E493-M495 PolarHBondContact O-N 2.9Å; M495-V498 PolarHBondContact O-N 2.84Å; M495-G499 PolarHBondContact O-N 3.46Å
496V95.1Very high92.7Very high2 Ų228.9 Ų28.91%0.01217%0.17CC..Hα-helixtrans-66-39.7174.9-175.60000111.4L486 C491 H492 E493 N494 G500 K528 T536 L540L486-V496 HydrophobicContact CD2-CG2 4.23Å; C491-V496 VanDerWaalsContact SG-CG2 3.51Å; H492-V496 PolarHBondContact O-N 3.34Å; E493-V496 CarbonylContact O-C 3.26Å; E493-V496 WeakPolarHBondContact O-CA 3.44Å; E493-V496 WeakPolarHBondContact O-CB 3.42Å; E493-V496 PolarHBondContact O-N 2.99Å; N494-V496 VanDerWaalsContact C-N 3.32Å; V496-G500 PolarHBondContact O-N 3.02Å; V496-K528 HydrophobicContact CG1-CB 4.39Å; V496-K528 HydrophobicContact CG2-CB 4.24Å; V496-K528 HydrophobicContact CG2-CG 4.44Å; V496-T536 HydrophobicContact CB-CG2 4.45Å; V496-T536 HydrophobicContact CG1-CG2 4.13Å; V496-L540 HydrophobicContact CG1-CD1 3.99Å; V496-L540 HydrophobicContact CG1-CD2 4.17Å; V496-L540 HydrophobicContact CG1-CG 4.49Å
497K94.6Very high92.6Very high24 Ų2428.9 Ų28.910%0.10417%0.17CC..Hα-helixtrans-61.1-50.7174.1-66.6175.8-173.4163.70111.3D458 W461 E493 N494 G499 G500 Y501 T536 L539D458-K497 IonicContact OD1-NZ 3.05Å; D458-K497 PolarHBondContact OD1-NZ 3.4Å; D458-K497 VanDerWaalsContact OD1-NZ 3.08Å; W461-K497 HydrophobicContact CD2-CB 4.42Å; W461-K497 HydrophobicContact CD2-CD 4.49Å; W461-K497 HydrophobicContact CE3-CB 4.42Å; W461-K497 HydrophobicContact CZ2-CD 3.87Å; E493-K497 PolarHBondContact O-N 2.83Å; N494-K497 PolarHBondContact O-N 3.18Å; N494-K497 PolarHBondContact OD1-NZ 2.83Å; N494-K497 VanDerWaalsContact OD1-NZ 3.1Å; K497-G499 PolarHBondContact O-N 3.27Å; K497-G500 PolarHBondContact O-N 3.31Å; K497-Y501 WeakPolarHBondContact O-CB 3.36Å; K497-Y501 PolarHBondContact O-N 2.82Å; K497-T536 WeakPolarHBondContact CE-OG1 3.43Å; K497-T536 HydrophobicContact CG-CG2 3.89Å; K497-L539 HydrophobicContact CB-CD1 4.19Å; K497-L539 HydrophobicContact CG-CD1 4.43Å
498V95Very high92.7Very high0 Ų026.4 Ų26.40%016%0.16CC..Hα-helixtrans-60.1-47.5178.4174.90000110.8L446 I449 W461 V464 I465 V482 N494 M495 Y501 I502L446-V498 HydrophobicContact CD2-CG1 3.98Å; I449-V498 HydrophobicContact CD1-CG2 4.01Å; W461-V498 HydrophobicContact CB-CG2 3.57Å; W461-V498 HydrophobicContact CE3-CG2 4.46Å; W461-V498 HydrophobicContact CG-CG2 4.41Å; V464-V498 HydrophobicContact CG1-CG1 4.36Å; I465-V498 HydrophobicContact CD1-CG1 4.2Å; V482-V498 HydrophobicContact CG2-CG1 4.08Å; N494-V498 WeakPolarHBondContact O-CG2 3.42Å; N494-V498 PolarHBondContact O-N 3.3Å; M495-V498 PolarHBondContact O-N 2.84Å; V498-Y501 PolarHBondContact O-N 3.18Å; V498-I502 HydrophobicContact CG1-CD1 3.65Å; V498-I502 HydrophobicContact CG1-CG1 4.3Å; V498-I502 WeakPolarHBondContact O-CB 3.42Å; V498-I502 WeakPolarHBondContact O-CG1 3.46Å; V498-I502 PolarHBondContact O-N 3.26Å
499G95.5Very high92.9Very high0 Ų028.9 Ų28.90%017%0.167CC..Hα-helixtrans-69.7-37.7-179.300000114.5M495 K497 Y501 L503M495-G499 PolarHBondContact O-N 3.46Å; K497-G499 PolarHBondContact O-N 3.27Å; G499-Y501 VanDerWaalsContact C-N 3.29Å; G499-Y501 PolarHBondContact O-N 3.1Å; G499-L503 WeakPolarHBondContact O-CB 3.46Å; G499-L503 WeakPolarHBondContact O-CG 3.46Å; G499-L503 PolarHBondContact O-N 3.16Å
500G95.9Very high93.4Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-59.4-43.4171.500000111.4V496 K497 G504 T543V496-G500 PolarHBondContact O-N 3.02Å; K497-G500 PolarHBondContact O-N 3.31Å; G500-G504 PolarHBondContact O-N 3.49Å; G500-G504 VanDerWaalsContact O-N 3.07Å; G500-T543 VanDerWaalsContact C-OG1 3.23Å; G500-T543 WeakPolarHBondContact O-CB 3.13Å; G500-T543 WeakPolarHBondContact O-CG2 3.49Å; G500-T543 PolarHBondContact O-OG1 3.04Å
501Y95.6Very high93.9Very high53 Ų5320.6 Ų20.621%0.20811%0.107CC..Hα-helixtrans-70.6-53.4180-151.4-55.9000111.7W461 I465 I469 K497 V498 G499 L503 G504 E505 L539 M601W461-Y501 HydrophobicContact CZ3-CD2 4.47Å; I465-Y501 HydrophobicContact CD1-CD1 4.41Å; I465-Y501 HydrophobicContact CD1-CG 4.1Å; I465-Y501 HydrophobicContact CG1-CG 4.28Å; I465-Y501 HydrophobicContact CG2-CD1 3.77Å; I465-Y501 HydrophobicContact CG2-CD2 4.23Å; I465-Y501 HydrophobicContact CG2-CE1 3.74Å; I465-Y501 HydrophobicContact CG2-CE2 4.18Å; I465-Y501 HydrophobicContact CG2-CG 4.02Å; I469-Y501 HydrophobicContact CD1-CD1 4.46Å; I469-Y501 HydrophobicContact CD1-CE1 3.76Å; K497-Y501 WeakPolarHBondContact O-CB 3.36Å; K497-Y501 PolarHBondContact O-N 2.82Å; V498-Y501 PolarHBondContact O-N 3.18Å; G499-Y501 VanDerWaalsContact C-N 3.29Å; G499-Y501 PolarHBondContact O-N 3.1Å; Y501-L503 PolarHBondContact O-N 2.9Å; Y501-G504 PolarHBondContact O-N 3.35Å; Y501-G504 VanDerWaalsContact O-N 3.16Å; Y501-E505 HydrophobicContact CD1-CG 3.97Å; Y501-E505 HydrophobicContact CE1-CG 3.9Å; Y501-E505 PolarHBondContact O-N 3.48Å; Y501-L539 HydrophobicContact CD2-CD1 4.36Å; Y501-M601 VanDerWaalsContact OH-CE 3.23Å; Y501-M601 WeakPolarHBondContact OH-CE 3.31Å
502I96.2Very high94Very high2 Ų222.7 Ų22.71%0.0113%0.134CC..Hα-helixtrans-64.6-42.6-176.1-68.6-179.1000111.5V464 I465 V468 A478 A479 V482 V498 G504 E505 F506V464-I502 HydrophobicContact CG1-CD1 4.49Å; I465-I502 HydrophobicContact CD1-CD1 3.95Å; I465-I502 HydrophobicContact CD1-CG1 3.5Å; I465-I502 VanDerWaalsContact CD1-CG1 3.5Å; V468-I502 HydrophobicContact CB-CD1 4.45Å; V468-I502 HydrophobicContact CG1-CD1 4.3Å; V468-I502 HydrophobicContact CG1-CG1 4.46Å; V468-I502 HydrophobicContact CG2-CD1 4.1Å; A478-I502 HydrophobicContact CB-CD1 4.29Å; A478-I502 HydrophobicContact CB-CG2 4.39Å; A479-I502 HydrophobicContact CB-CG2 4.08Å; V482-I502 HydrophobicContact CG2-CD1 4.14Å; V498-I502 HydrophobicContact CG1-CD1 3.65Å; V498-I502 HydrophobicContact CG1-CG1 4.3Å; V498-I502 WeakPolarHBondContact O-CB 3.42Å; V498-I502 WeakPolarHBondContact O-CG1 3.46Å; V498-I502 PolarHBondContact O-N 3.26Å; I502-G504 VanDerWaalsContact C-N 3.31Å; I502-E505 PolarHBondContact O-N 2.99Å; I502-F506 HydrophobicContact CG2-CD2 4.37Å; I502-F506 WeakPolarHBondContact O-CA 3.44Å; I502-F506 PolarHBondContact O-N 3.47Å
503L96.4Very high94.1Very high0 Ų022.9 Ų22.90%014%0.137CC..Hα-helixtrans-68.4-35.8176-62.1177000111A479 F483 L486 G499 Y501 E505 G507 I510 L525 F547A479-L503 HydrophobicContact CB-CD2 4.34Å; F483-L503 HydrophobicContact CB-CD2 4.24Å; F483-L503 HydrophobicContact CD2-CD1 4.44Å; L486-L503 HydrophobicContact CD1-CD1 3.94Å; G499-L503 WeakPolarHBondContact O-CB 3.46Å; G499-L503 WeakPolarHBondContact O-CG 3.46Å; G499-L503 PolarHBondContact O-N 3.16Å; Y501-L503 PolarHBondContact O-N 2.9Å; L503-E505 VanDerWaalsContact C-N 3.3Å; L503-E505 PolarHBondContact O-N 2.9Å; L503-G507 WeakPolarHBondContact O-CA 3.48Å; L503-G507 PolarHBondContact O-N 2.79Å; L503-I510 HydrophobicContact CD2-CD1 3.86Å; L503-L525 HydrophobicContact CB-CD1 4.4Å; L503-L525 HydrophobicContact CD1-CD1 4.14Å; L503-L525 HydrophobicContact CD1-CD2 4.44Å; L503-L525 HydrophobicContact CD1-CG 4.25Å; L503-F547 HydrophobicContact CB-CE1 4.18Å; L503-F547 HydrophobicContact CB-CZ 3.99Å; L503-F547 VanDerWaalsContact O-CE1 3.26Å; L503-F547 WeakPolarHBondContact O-CE1 3.26Å
504G94.7Very high94Very high2 Ų225.9 Ų25.92%0.02116%0.16CC..Hα-helixtrans-60.2-37.2176.100000113.7G500 Y501 I502 K546 L550G500-G504 PolarHBondContact O-N 3.49Å; G500-G504 VanDerWaalsContact O-N 3.07Å; Y501-G504 PolarHBondContact O-N 3.35Å; Y501-G504 VanDerWaalsContact O-N 3.16Å; I502-G504 VanDerWaalsContact C-N 3.31Å; G504-K546 WeakPolarHBondContact O-CB 3.28Å; G504-L550 WeakPolarHBondContact O-CD1 3.31Å
505E93.6Very high94Very high9 Ų934.1 Ų34.14%0.04219%0.191CC..Hα-helixtrans-88.7-43.5177.5-60.1-61.7148.200112.3Y501 I502 L503 K546 E600 M601Y501-E505 HydrophobicContact CD1-CG 3.97Å; Y501-E505 HydrophobicContact CE1-CG 3.9Å; Y501-E505 PolarHBondContact O-N 3.48Å; I502-E505 PolarHBondContact O-N 2.99Å; L503-E505 VanDerWaalsContact C-N 3.3Å; L503-E505 PolarHBondContact O-N 2.9Å; E505-K546 WeakPolarHBondContact OE1-CE 3.23Å; E505-K546 IonicContact OE1-NZ 2.89Å; E505-K546 PolarHBondContact OE1-NZ 3.5Å; E505-K546 IonicContact OE2-NZ 2.71Å; E505-K546 PolarHBondContact OE2-NZ 3.44Å; E505-E600 WeakPolarHBondContact OE2-CA 3.47Å; E505-M601 PolarHBondContact OE2-N 3.03Å
506F95Very high94Very high5 Ų534.4 Ų34.42%0.02219%0.193CC..Hα-helixtrans-122.511.7-166.1-51-60000114.7V468 I469 Q475 A479 I502 N508 L509V468-F506 HydrophobicContact CG1-CD2 4.08Å; V468-F506 HydrophobicContact CG1-CE2 3.93Å; I469-F506 HydrophobicContact CG1-CE2 3.92Å; I469-F506 HydrophobicContact CG1-CZ 3.98Å; Q475-F506 HydrophobicContact CB-CB 4.26Å; Q475-F506 HydrophobicContact CB-CD1 3.96Å; Q475-F506 HydrophobicContact CB-CD2 4.09Å; Q475-F506 HydrophobicContact CB-CE1 4.36Å; Q475-F506 HydrophobicContact CB-CE2 4.47Å; Q475-F506 HydrophobicContact CB-CG 3.82Å; Q475-F506 VanDerWaalsContact CD-CZ 3.41Å; Q475-F506 HydrophobicContact CG-CD1 3.84Å; Q475-F506 HydrophobicContact CG-CD2 3.87Å; Q475-F506 HydrophobicContact CG-CE1 3.73Å; Q475-F506 HydrophobicContact CG-CE2 3.75Å; Q475-F506 HydrophobicContact CG-CG 3.92Å; Q475-F506 HydrophobicContact CG-CZ 3.68Å; Q475-F506 VanDerWaalsContact NE2-CE1 3.3Å; Q475-F506 VanDerWaalsContact NE2-CZ 3.31Å; Q475-F506 VanDerWaalsContact OE1-CE1 3.29Å; A479-F506 HydrophobicContact CB-CB 4.41Å; I502-F506 HydrophobicContact CG2-CD2 4.37Å; I502-F506 WeakPolarHBondContact O-CA 3.44Å; I502-F506 PolarHBondContact O-N 3.47Å; F506-N508 WeakPolarHBondContact CA-OD1 3.45Å; F506-N508 PolarHBondContact O-N 3.03Å; F506-N508 PolarHBondContact O-OD1 3.15Å; F506-L509 HydrophobicContact CB-CD1 4.08Å; F506-L509 HydrophobicContact CB-CG 4.48Å; F506-L509 WeakPolarHBondContact O-CB 3.3Å; F506-L509 PolarHBondContact O-N 3.42Å; F506-L509 VanDerWaalsContact O-N 3.12Å
507G93.1Very high94Very high0 Ų035.5 Ų35.50%020%0.203CC..G310 helixtrans-63.5-23.5-178.900000113.5L503 L509 I510 A511 Q521L503-G507 WeakPolarHBondContact O-CA 3.48Å; L503-G507 PolarHBondContact O-N 2.79Å; G507-L509 VanDerWaalsContact C-N 3.25Å; G507-L509 PolarHBondContact O-N 3.02Å; G507-I510 WeakPolarHBondContact O-CG1 3.36Å; G507-I510 PolarHBondContact O-N 3.3Å; G507-A511 PolarHBondContact O-N 3.02Å; G507-Q521 PolarHBondContact O-NE2 3.29Å
508N94.1Very high94Very high60 Ų6035 Ų3532%0.32120%0.202SC..G310 helixtrans-59.8-33.4173.559.6-30.8000112.4F506 I510 A511 L550 F551F506-N508 WeakPolarHBondContact CA-OD1 3.45Å; F506-N508 PolarHBondContact O-N 3.03Å; F506-N508 PolarHBondContact O-OD1 3.15Å; N508-I510 PolarHBondContact O-N 3.14Å; N508-A511 WeakPolarHBondContact O-CB 3.48Å; N508-A511 PolarHBondContact O-N 3.38Å; N508-L550 HydrophobicContact CB-CD2 4.25Å; N508-F551 HydrophobicContact CB-CE1 4.07Å; N508-F551 HydrophobicContact CB-CZ 4.25Å
509L94.8Very high94Very high91 Ų9138.3 Ų38.348%0.47622%0.216SC..G310 helixtrans-65-23.2-179.4-58.1-177.5000113.3Q475 F506 G507Q475-L509 HydrophobicContact CB-CD1 3.82Å; F506-L509 HydrophobicContact CB-CD1 4.08Å; F506-L509 HydrophobicContact CB-CG 4.48Å; F506-L509 WeakPolarHBondContact O-CB 3.3Å; F506-L509 PolarHBondContact O-N 3.42Å; F506-L509 VanDerWaalsContact O-N 3.12Å; G507-L509 VanDerWaalsContact C-N 3.25Å; G507-L509 PolarHBondContact O-N 3.02Å
510I94.9Very high94Very high19 Ų1941.1 Ų41.110%0.09723%0.233CC..G310 helixtrans-110.3-1.2178.366.7169.1000113A479 K480 F483 L503 G507 N508 G512 D513 S516A479-I510 HydrophobicContact CB-CD1 4.35Å; A479-I510 HydrophobicContact CB-CG2 4.04Å; K480-I510 HydrophobicContact CB-CG2 4.01Å; F483-I510 HydrophobicContact CB-CD1 3.82Å; F483-I510 HydrophobicContact CG-CD1 4.08Å; L503-I510 HydrophobicContact CD2-CD1 3.86Å; G507-I510 WeakPolarHBondContact O-CG1 3.36Å; G507-I510 PolarHBondContact O-N 3.3Å; N508-I510 PolarHBondContact O-N 3.14Å; I510-G512 PolarHBondContact O-N 2.96Å; I510-D513 PolarHBondContact O-N 2.73Å; I510-S516 PolarHBondContact O-OG 3.26Å
511A92.3Very high94Very high22 Ų2241.1 Ų41.118%0.18223%0.233CC..THydrogen-bonded Turntrans-69.1-17.4-175.800000114G507 N508 D513 P518 F551G507-A511 PolarHBondContact O-N 3.02Å; N508-A511 WeakPolarHBondContact O-CB 3.48Å; N508-A511 PolarHBondContact O-N 3.38Å; A511-D513 VanDerWaalsContact C-N 3.29Å; A511-D513 PolarHBondContact O-N 3.37Å; A511-P518 HydrophobicContact CB-CG 3.99Å; A511-F551 HydrophobicContact CB-CE1 3.56Å; A511-F551 HydrophobicContact CB-CZ 3.88Å
512G89.6Confident94.1Very high78 Ų7838.8 Ų38.880%0.80422%0.224SC*.THydrogen-bonded Turntrans-69.4-20.3177.500000114.7I510I510-G512 PolarHBondContact O-N 2.96Å
513D92.1Very high94Very high52 Ų5242.4 Ų42.428%0.27824%0.243SC..SBendtrans-86.3124.8172.7-175.3-29.5000109.5I510 A511 R515 S516 A517I510-D513 PolarHBondContact O-N 2.73Å; A511-D513 VanDerWaalsContact C-N 3.29Å; A511-D513 PolarHBondContact O-N 3.37Å; D513-R515 PolarHBondContact O-N 3.42Å; D513-R515 VanDerWaalsContact OD1-CB 3.3Å; D513-R515 WeakPolarHBondContact OD1-CB 3.27Å; D513-R515 WeakPolarHBondContact OD1-CG 3.33Å; D513-R515 PolarHBondContact OD1-N 3.43Å; D513-R515 IonicContact OD1-NE 3.14Å; D513-R515 PolarHBondContact OD1-NE 2.88Å; D513-R515 VanDerWaalsContact OD1-NE 3.16Å; D513-R515 IonicContact OD2-CZ 2.76Å; D513-R515 IonicContact OD2-NE 3.34Å; D513-R515 PolarHBondContact OD2-NE 2.84Å; D513-R515 VanDerWaalsContact OD2-NE 3.14Å; D513-R515 IonicContact OD2-NH2 3.16Å; D513-R515 PolarHBondContact OD2-NH2 2.82Å; D513-S516 CarbonylContact O-C 3.57Å; D513-S516 VanDerWaalsContact O-C 3.26Å; D513-S516 PolarHBondContact O-N 3.33Å; D513-S516 PolarHBondContact O-OG 3.3Å; D513-A517 PolarHBondContact O-N 2.95Å
514P90.3Very high94Very high109 Ų10943.8 Ų43.871%0.70825%0.25SS*.G310 helixtrans-53-27.1177.8-27.634.7000114.5S516P514-S516 VanDerWaalsContact C-N 3.31Å
515R92Very high94Very high184 Ų18443.7 Ų43.769%0.69425%0.25SC*.G310 helixtrans-74-22.5178.2-61.6175.9-67.8176.70.9113.1F483 D513 V520F483-R515 VanDerWaalsContact CZ-O 3.3Å; F483-R515 WeakPolarHBondContact CZ-O 3.42Å; D513-R515 PolarHBondContact O-N 3.42Å; D513-R515 VanDerWaalsContact OD1-CB 3.3Å; D513-R515 WeakPolarHBondContact OD1-CB 3.27Å; D513-R515 WeakPolarHBondContact OD1-CG 3.33Å; D513-R515 PolarHBondContact OD1-N 3.43Å; D513-R515 IonicContact OD1-NE 3.14Å; D513-R515 PolarHBondContact OD1-NE 2.88Å; D513-R515 VanDerWaalsContact OD1-NE 3.16Å; D513-R515 IonicContact OD2-CZ 2.76Å; D513-R515 IonicContact OD2-NE 3.34Å; D513-R515 PolarHBondContact OD2-NE 2.84Å; D513-R515 VanDerWaalsContact OD2-NE 3.14Å; D513-R515 IonicContact OD2-NH2 3.16Å; D513-R515 PolarHBondContact OD2-NH2 2.82Å; R515-V520 WeakPolarHBondContact O-CG1 3.35Å
516S93.4Very high94.1Very high10 Ų1045 Ų457%0.0726%0.256CS..G310 helixtrans-120.729.4174.946.60000111.1I510 D513 P514 Q521I510-S516 PolarHBondContact O-OG 3.26Å; D513-S516 CarbonylContact O-C 3.57Å; D513-S516 VanDerWaalsContact O-C 3.26Å; D513-S516 PolarHBondContact O-N 3.33Å; D513-S516 PolarHBondContact O-OG 3.3Å; P514-S516 VanDerWaalsContact C-N 3.31Å; S516-Q521 WeakPolarHBondContact O-CG 3.48Å; S516-Q521 PolarHBondContact O-NE2 2.94Å
517A94.4Very high94Very high26 Ų2648.1 Ų48.122%0.21528%0.278CS..  trans-55.6153.3174.400000110.6D513 K519 V520 Q521D513-A517 PolarHBondContact O-N 2.95Å; A517-K519 PolarHBondContact O-N 2.84Å; A517-K519 VanDerWaalsContact O-N 3.09Å; A517-V520 HydrophobicContact CB-CG2 4.23Å; A517-V520 WeakPolarHBondContact O-CA 3.48Å; A517-V520 WeakPolarHBondContact O-CB 3.33Å; A517-V520 PolarHBondContact O-N 3.34Å; A517-Q521 PolarHBondContact O-N 3.4Å
518P95.1Very high94Very high13 Ų1349.2 Ų49.28%0.08428%0.283CS..Hα-helixtrans-49.2-44.2-175.2-3440.1000114.1A511 V520 Q521 F522 F551 I554A511-P518 HydrophobicContact CB-CG 3.99Å; P518-V520 VanDerWaalsContact C-N 3.31Å; P518-V520 PolarHBondContact O-N 3.34Å; P518-Q521 PolarHBondContact O-N 2.99Å; P518-F522 WeakPolarHBondContact O-CB 3.36Å; P518-F522 PolarHBondContact O-N 3.09Å; P518-F551 HydrophobicContact CB-CB 3.8Å; P518-F551 HydrophobicContact CB-CD1 3.76Å; P518-F551 HydrophobicContact CB-CD2 3.66Å; P518-F551 HydrophobicContact CB-CE1 4.19Å; P518-F551 HydrophobicContact CB-CE2 4.07Å; P518-F551 HydrophobicContact CB-CG 3.46Å; P518-F551 VanDerWaalsContact CB-CG 3.46Å; P518-F551 HydrophobicContact CB-CZ 4.3Å; P518-F551 HydrophobicContact CG-CB 4.2Å; P518-F551 HydrophobicContact CG-CD1 3.35Å; P518-F551 HydrophobicContact CG-CD2 4.16Å; P518-F551 HydrophobicContact CG-CE1 3.6Å; P518-F551 HydrophobicContact CG-CE2 4.33Å; P518-F551 HydrophobicContact CG-CG 3.65Å; P518-F551 HydrophobicContact CG-CZ 4.06Å; P518-I554 HydrophobicContact CB-CD1 4.08Å; P518-I554 HydrophobicContact CB-CG2 4.3Å
519K94.2Very high94Very high69 Ų6946.3 Ų46.330%0.327%0.267SS..Hα-helixtrans-63.2-35.8177.9-173.759.8175.4-175.10112.9A517 F522 N523 I554 D557A517-K519 PolarHBondContact O-N 2.84Å; A517-K519 VanDerWaalsContact O-N 3.09Å; K519-F522 HydrophobicContact CD-CD1 4.49Å; K519-N523 VanDerWaalsContact O-CB 3.3Å; K519-N523 WeakPolarHBondContact O-CB 3.44Å; K519-N523 PolarHBondContact O-N 3.31Å; K519-N523 PolarHBondContact O-ND2 3.38Å; K519-N523 PolarHBondContact O-OD1 2.92Å; K519-I554 HydrophobicContact CB-CG2 4.02Å; K519-I554 HydrophobicContact CD-CG2 4.11Å; K519-D557 VanDerWaalsContact NZ-CB 3.28Å; K519-D557 IonicContact NZ-OD1 3.56Å; K519-D557 PolarHBondContact NZ-OD1 3.1Å; K519-D557 IonicContact NZ-OD2 2.76Å; K519-D557 PolarHBondContact NZ-OD2 3.25Å
520V96.1Very high93.8Very high59 Ų5947.4 Ų47.436%0.35827%0.27SS..Hα-helixtrans-70.1-44.8177.4-175.50000110.3F483 R515 A517 P518 F522 N523 L524F483-V520 HydrophobicContact CE2-CG1 4.35Å; F483-V520 HydrophobicContact CZ-CG1 3.97Å; R515-V520 WeakPolarHBondContact O-CG1 3.35Å; A517-V520 HydrophobicContact CB-CG2 4.23Å; A517-V520 WeakPolarHBondContact O-CA 3.48Å; A517-V520 WeakPolarHBondContact O-CB 3.33Å; A517-V520 PolarHBondContact O-N 3.34Å; P518-V520 VanDerWaalsContact C-N 3.31Å; P518-V520 PolarHBondContact O-N 3.34Å; V520-F522 VanDerWaalsContact C-N 3.35Å; V520-F522 PolarHBondContact O-N 2.81Å; V520-N523 PolarHBondContact O-N 2.85Å; V520-L524 VanDerWaalsContact O-CB 3.31Å; V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 PolarHBondContact O-N 3.2Å
521Q96.5Very high93.5Very high0 Ų053.3 Ų53.30%030%0.301CS..Hα-helixtrans-58.3-47.1175.2-61.5-175.143.500111.4F483 G507 S516 A517 P518 L524 L525 F547F483-Q521 HydrophobicContact CD2-CG 4.11Å; F483-Q521 HydrophobicContact CE2-CG 3.99Å; G507-Q521 PolarHBondContact O-NE2 3.29Å; S516-Q521 WeakPolarHBondContact O-CG 3.48Å; S516-Q521 PolarHBondContact O-NE2 2.94Å; A517-Q521 PolarHBondContact O-N 3.4Å; P518-Q521 PolarHBondContact O-N 2.99Å; Q521-L524 PolarHBondContact O-N 3.48Å; Q521-L525 PolarHBondContact O-N 3.14Å; Q521-L525 VanDerWaalsContact O-N 3.11Å; Q521-F547 HydrophobicContact CB-CE2 4.42Å; Q521-F547 HydrophobicContact CB-CZ 4.05Å
522F96.6Very high93.5Very high5 Ų553 Ų532%0.02230%0.297CS..Hα-helixtrans-59.8-51.9175.9172.6-105.8000112.5P518 K519 V520 L524 L525 H526 Y544 F547 I554 D557 I558 V561P518-F522 WeakPolarHBondContact O-CB 3.36Å; P518-F522 PolarHBondContact O-N 3.09Å; K519-F522 HydrophobicContact CD-CD1 4.49Å; V520-F522 VanDerWaalsContact C-N 3.35Å; V520-F522 PolarHBondContact O-N 2.81Å; F522-L524 PolarHBondContact O-N 3.44Å; F522-L525 PolarHBondContact O-N 3.13Å; F522-H526 HydrophobicContact CE2-CB 4.47Å; F522-H526 HydrophobicContact CZ-CB 4.38Å; F522-H526 VanDerWaalsContact O-CB 3.24Å; F522-H526 WeakPolarHBondContact O-CB 3.42Å; F522-H526 PolarHBondContact O-N 3.41Å; F522-Y544 AromaticContact CD2-CD1 3.86Å; F522-Y544 HydrophobicContact CD2-CD1 3.86Å; F522-Y544 AromaticContact CD2-CE1 3.95Å; F522-Y544 HydrophobicContact CD2-CE1 3.95Å; F522-Y544 AromaticContact CE2-CD1 3.78Å; F522-Y544 HydrophobicContact CE2-CD1 3.78Å; F522-Y544 HydrophobicContact CE2-CD2 4.35Å; F522-Y544 AromaticContact CE2-CE1 3.85Å; F522-Y544 HydrophobicContact CE2-CE1 3.85Å; F522-Y544 HydrophobicContact CE2-CE2 4.42Å; F522-Y544 HydrophobicContact CE2-CG 4.05Å; F522-F547 HydrophobicContact CB-CD2 4.16Å; F522-F547 HydrophobicContact CB-CE2 4.16Å; F522-F547 HydrophobicContact CD2-CD2 4.24Å; F522-I554 HydrophobicContact CB-CD1 4.11Å; F522-D557 HydrophobicContact CE1-CB 4.36Å; F522-I558 HydrophobicContact CD2-CD1 4.49Å; F522-I558 HydrophobicContact CD2-CG1 3.93Å; F522-I558 HydrophobicContact CE2-CG1 3.68Å; F522-I558 HydrophobicContact CZ-CG1 4.11Å; F522-V561 HydrophobicContact CZ-CB 4.47Å; F522-V561 HydrophobicContact CZ-CG2 3.82Å
523N95.7Very high93.7Very high78 Ų7852.2 Ų52.242%0.41728%0.277SS..Hα-helixtrans-60.8-36.9-179.6-72.1-14.3000111.6K519 V520 H526 S527K519-N523 VanDerWaalsContact O-CB 3.3Å; K519-N523 WeakPolarHBondContact O-CB 3.44Å; K519-N523 PolarHBondContact O-N 3.31Å; K519-N523 PolarHBondContact O-ND2 3.38Å; K519-N523 PolarHBondContact O-OD1 2.92Å; V520-N523 PolarHBondContact O-N 2.85Å; N523-H526 PolarHBondContact O-N 3.38Å; N523-S527 WeakPolarHBondContact O-CB 3.3Å; N523-S527 PolarHBondContact O-N 2.87Å
524L95.1Very high93.7Very high28 Ų2852.5 Ų52.515%0.14728%0.281CS..Hα-helixtrans-64-51.1178.1-176.859.8000111.5F483 L486 Q487 V520 Q521 F522 S527F483-L524 HydrophobicContact CD2-CD2 3.69Å; F483-L524 HydrophobicContact CE2-CD2 3.56Å; F483-L524 HydrophobicContact CZ-CD2 4.32Å; L486-L524 HydrophobicContact CB-CD2 3.72Å; L486-L524 HydrophobicContact CB-CG 4.1Å; Q487-L524 HydrophobicContact CG-CD2 3.99Å; V520-L524 VanDerWaalsContact O-CB 3.31Å; V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 PolarHBondContact O-N 3.2Å; Q521-L524 PolarHBondContact O-N 3.48Å; F522-L524 PolarHBondContact O-N 3.44Å; L524-S527 PolarHBondContact O-N 3.24Å; L524-S527 PolarHBondContact O-OG 2.88Å
525L95.2Very high93.8Very high1 Ų151.6 Ų51.61%0.00527%0.274CS..Hα-helixtrans-63.2-42.6175.8-73.2175.3000111.8L486 L503 Q521 F522 S527 K528 F529 L540 T543 Y544 F547L486-L525 HydrophobicContact CD1-CD2 3.64Å; L503-L525 HydrophobicContact CB-CD1 4.4Å; L503-L525 HydrophobicContact CD1-CD1 4.14Å; L503-L525 HydrophobicContact CD1-CD2 4.44Å; L503-L525 HydrophobicContact CD1-CG 4.25Å; Q521-L525 PolarHBondContact O-N 3.14Å; Q521-L525 VanDerWaalsContact O-N 3.11Å; F522-L525 PolarHBondContact O-N 3.13Å; L525-S527 VanDerWaalsContact C-N 3.31Å; L525-S527 PolarHBondContact O-N 2.81Å; L525-K528 PolarHBondContact O-N 3.5Å; L525-K528 VanDerWaalsContact O-N 3.12Å; L525-F529 PolarHBondContact O-N 2.76Å; L525-L540 HydrophobicContact CB-CD2 4.49Å; L525-L540 HydrophobicContact CD2-CD2 4.12Å; L525-T543 HydrophobicContact CD1-CG2 3.83Å; L525-Y544 HydrophobicContact CB-CE1 4.38Å; L525-F547 HydrophobicContact CD1-CE2 3.86Å; L525-F547 HydrophobicContact CD1-CZ 3.87Å
526H95.1Very high93.9Very high37 Ų3742.9 Ų42.917%0.17124%0.241CC..Hα-helixtrans-66.3-32.4-179.4-164.857.2000112.9F522 N523 K528 F529 H530 Y544 V561F522-H526 HydrophobicContact CE2-CB 4.47Å; F522-H526 HydrophobicContact CZ-CB 4.38Å; F522-H526 VanDerWaalsContact O-CB 3.24Å; F522-H526 WeakPolarHBondContact O-CB 3.42Å; F522-H526 PolarHBondContact O-N 3.41Å; N523-H526 PolarHBondContact O-N 3.38Å; H526-K528 PolarHBondContact O-N 3.34Å; H526-K528 VanDerWaalsContact O-N 3.1Å; H526-F529 WeakPolarHBondContact O-CB 3.42Å; H526-F529 PolarHBondContact O-N 3.08Å; H526-F529 VanDerWaalsContact O-N 3.1Å; H526-H530 AromaticContact CE1-NE2 3.93Å; H526-H530 AromaticContact NE2-NE2 3.97Å; H526-Y544 VanDerWaalsContact CA-OH 3.29Å; H526-Y544 WeakPolarHBondContact CA-OH 3.34Å; H526-Y544 AromaticContact ND1-CE2 3.96Å; H526-Y544 AromaticContact ND1-CZ 3.78Å; H526-Y544 PolarHBondContact ND1-OH 2.89Å; H526-Y544 VanDerWaalsContact ND1-OH 3.12Å; H526-V561 VanDerWaalsContact CE1-CG1 3.42Å; H526-V561 WeakPolarHBondContact CE1-CG1 3.36Å
527S94.2Very high94Very high70 Ų7044.5 Ų44.549%0.4925%0.246SC..Hα-helixtrans-58.4-24.4173.578.80000113.4N523 L524 L525N523-S527 WeakPolarHBondContact O-CB 3.3Å; N523-S527 PolarHBondContact O-N 2.87Å; L524-S527 PolarHBondContact O-N 3.24Å; L524-S527 PolarHBondContact O-OG 2.88Å; L525-S527 VanDerWaalsContact C-N 3.31Å; L525-S527 PolarHBondContact O-N 2.81Å
528K93Very high94.1Very high22 Ų2244.5 Ų44.510%0.09624%0.241CC..Hα-helixtrans-98.4-18.5178.6-50.9-58.3-1761750113.2A488 P489 C491 V496 L525 H526 H530 L531 C532A488-K528 PolarHBondContact O-NZ 3.22Å; P489-K528 PolarHBondContact O-NZ 3.41Å; C491-K528 VanDerWaalsContact SG-CE 3.55Å; V496-K528 HydrophobicContact CG1-CB 4.39Å; V496-K528 HydrophobicContact CG2-CB 4.24Å; V496-K528 HydrophobicContact CG2-CG 4.44Å; L525-K528 PolarHBondContact O-N 3.5Å; L525-K528 VanDerWaalsContact O-N 3.12Å; H526-K528 PolarHBondContact O-N 3.34Å; H526-K528 VanDerWaalsContact O-N 3.1Å; K528-H530 VanDerWaalsContact C-N 3.29Å; K528-H530 PolarHBondContact O-N 3.28Å; K528-H530 VanDerWaalsContact O-N 3.16Å; K528-L531 WeakPolarHBondContact O-CB 3.22Å; K528-L531 PolarHBondContact O-N 3.29Å; K528-C532 PolarHBondContact O-N 2.97Å; K528-C532 PolarHBondContact O-SG 2.97Å
529F92.8Very high94.1Very high0 Ų045.1 Ų45.10%024%0.244CC..Hα-helixtrans-50.8-44.8-173179-97.3000113.7L525 H526 L531 C532 R537 L540 L541 Y544L525-F529 PolarHBondContact O-N 2.76Å; H526-F529 WeakPolarHBondContact O-CB 3.42Å; H526-F529 PolarHBondContact O-N 3.08Å; H526-F529 VanDerWaalsContact O-N 3.1Å; F529-L531 PolarHBondContact O-N 2.73Å; F529-C532 PolarHBondContact O-N 2.91Å; F529-R537 HydrophobicContact CD2-CB 4.33Å; F529-R537 HydrophobicContact CD2-CG 4.08Å; F529-R537 HydrophobicContact CE1-CG 4.38Å; F529-R537 HydrophobicContact CE2-CB 3.72Å; F529-R537 HydrophobicContact CE2-CG 3.87Å; F529-R537 HydrophobicContact CG-CG 4.41Å; F529-R537 HydrophobicContact CZ-CB 3.96Å; F529-R537 HydrophobicContact CZ-CG 4.03Å; F529-R537 WeakPolarHBondContact O-CD 3.3Å; F529-R537 VanDerWaalsContact O-CG 3.24Å; F529-R537 WeakPolarHBondContact O-CG 3.47Å; F529-L540 HydrophobicContact CB-CD1 4.19Å; F529-L540 HydrophobicContact CD2-CB 3.81Å; F529-L540 HydrophobicContact CD2-CD1 3.78Å; F529-L540 HydrophobicContact CD2-CG 4.47Å; F529-L540 HydrophobicContact CE2-CB 4.17Å; F529-L540 HydrophobicContact CG-CD1 4.46Å; F529-L541 HydrophobicContact CE2-CD2 3.95Å; F529-L541 HydrophobicContact CE2-CG 4.07Å; F529-L541 HydrophobicContact CZ-CD2 3.96Å; F529-L541 HydrophobicContact CZ-CG 4.26Å; F529-Y544 HydrophobicContact CD2-CE2 4.02Å; F529-Y544 HydrophobicContact CE2-CE2 4.19Å
530H90.6Very high94.2Very high114 Ų11441.9 Ų41.953%0.52823%0.23SC..THydrogen-bonded Turntrans-75.1-11.8-178.1-63-67.9000114.1H526 K528H526-H530 AromaticContact CE1-NE2 3.93Å; H526-H530 AromaticContact NE2-NE2 3.97Å; K528-H530 VanDerWaalsContact C-N 3.29Å; K528-H530 PolarHBondContact O-N 3.28Å; K528-H530 VanDerWaalsContact O-N 3.16Å
531L89.6Confident94.2Very high142 Ų14239 Ų3974%0.74321%0.213SC*.THydrogen-bonded Turntrans-94.8-10.6178.9-56.1177.3000112.8K528 F529K528-L531 WeakPolarHBondContact O-CB 3.22Å; K528-L531 PolarHBondContact O-N 3.29Å; F529-L531 PolarHBondContact O-N 2.73Å
532C92.6Very high94.1Very high17 Ų1740.4 Ų40.412%0.11522%0.222CC..SBendtrans-93.3160-175.5-59.30000112.9E493 K528 F529 T536 R537E493-C532 HydrophobicContact CG-CB 4.43Å; K528-C532 PolarHBondContact O-N 2.97Å; K528-C532 PolarHBondContact O-SG 2.97Å; F529-C532 PolarHBondContact O-N 2.91Å; C532-T536 HydrophobicContact CB-CG2 3.72Å; C532-R537 HydrophobicContact CB-CG 4.41Å
533T92.9Very high94.1Very high60 Ų6040.5 Ų40.537%0.36822%0.223SC..  trans-64161.9173.566.70000111.5E493 T535 T536 R537E493-T533 VanDerWaalsContact OE1-CB 3.23Å; E493-T533 WeakPolarHBondContact OE1-CB 3.28Å; E493-T533 WeakPolarHBondContact OE1-CG2 3.22Å; E493-T533 PolarHBondContact OE1-N 2.68Å; E493-T533 PolarHBondContact OE1-OG1 3.21Å; E493-T533 VanDerWaalsContact OE2-CG2 3.27Å; E493-T533 WeakPolarHBondContact OE2-CG2 3.28Å; T533-T535 PolarHBondContact O-N 3.35Å; T533-T536 PolarHBondContact O-N 3.13Å; T533-R537 WeakPolarHBondContact O-CG 3.43Å; T533-R537 PolarHBondContact O-N 3.28Å
534P92.8Very high94.1Very high58 Ų5836.8 Ų36.838%0.37720%0.203SC..Hα-helixtrans-54.1-38.3177.7-27.835.9000113.9R537 Q538 N572 I575P534-R537 WeakPolarHBondContact O-CB 3.33Å; P534-R537 PolarHBondContact O-N 3.16Å; P534-Q538 VanDerWaalsContact O-CG 3.22Å; P534-Q538 WeakPolarHBondContact O-CG 3.2Å; P534-Q538 PolarHBondContact O-N 3.37Å; P534-N572 WeakPolarHBondContact CB-ND2 3.25Å; P534-I575 HydrophobicContact CB-CD1 3.97Å
535T92.5Very high94.1Very high91 Ų9135.5 Ų35.556%0.55820%0.196SC*.Hα-helixtrans-63.2-44.5179.4-500000112.2T533 R537 Q538 L539T533-T535 PolarHBondContact O-N 3.35Å; T535-R537 VanDerWaalsContact C-N 3.34Å; T535-Q538 WeakPolarHBondContact O-CB 3.35Å; T535-Q538 PolarHBondContact O-N 3.38Å; T535-L539 PolarHBondContact O-N 3.21Å; T535-L539 VanDerWaalsContact O-N 3.16Å
536T94.4Very high94Very high0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-70-35.1176.8-57.60000111.3E493 V496 K497 C532 T533 Q538 L539 L540E493-T536 VanDerWaalsContact CD-OG1 3.31Å; E493-T536 HydrophobicContact CG-CG2 4.06Å; E493-T536 WeakPolarHBondContact CG-OG1 3.39Å; E493-T536 WeakPolarHBondContact OE1-CB 3.4Å; E493-T536 PolarHBondContact OE1-OG1 3.32Å; V496-T536 HydrophobicContact CB-CG2 4.45Å; V496-T536 HydrophobicContact CG1-CG2 4.13Å; K497-T536 WeakPolarHBondContact CE-OG1 3.43Å; K497-T536 HydrophobicContact CG-CG2 3.89Å; C532-T536 HydrophobicContact CB-CG2 3.72Å; T533-T536 PolarHBondContact O-N 3.13Å; T536-Q538 VanDerWaalsContact C-N 3.33Å; T536-Q538 PolarHBondContact O-N 3.45Å; T536-L539 WeakPolarHBondContact O-CB 3.26Å; T536-L539 PolarHBondContact O-N 2.71Å; T536-L540 HydrophobicContact CG2-CD1 4.4Å; T536-L540 HydrophobicContact CG2-CG 4.46Å; T536-L540 WeakPolarHBondContact O-CG 3.39Å; T536-L540 PolarHBondContact O-N 3.48Å
537R95.4Very high94Very high44 Ų4434.9 Ų34.917%0.16619%0.193CC..Hα-helixtrans-61.5-40.7172.4-71.9175.662-163.1-4.8111.9F529 C532 T533 P534 T535 L539 L540 L541 N567 I575F529-R537 HydrophobicContact CD2-CB 4.33Å; F529-R537 HydrophobicContact CD2-CG 4.08Å; F529-R537 HydrophobicContact CE1-CG 4.38Å; F529-R537 HydrophobicContact CE2-CB 3.72Å; F529-R537 HydrophobicContact CE2-CG 3.87Å; F529-R537 HydrophobicContact CG-CG 4.41Å; F529-R537 HydrophobicContact CZ-CB 3.96Å; F529-R537 HydrophobicContact CZ-CG 4.03Å; F529-R537 WeakPolarHBondContact O-CD 3.3Å; F529-R537 VanDerWaalsContact O-CG 3.24Å; F529-R537 WeakPolarHBondContact O-CG 3.47Å; C532-R537 HydrophobicContact CB-CG 4.41Å; T533-R537 WeakPolarHBondContact O-CG 3.43Å; T533-R537 PolarHBondContact O-N 3.28Å; P534-R537 WeakPolarHBondContact O-CB 3.33Å; P534-R537 PolarHBondContact O-N 3.16Å; T535-R537 VanDerWaalsContact C-N 3.34Å; R537-L539 VanDerWaalsContact C-N 3.33Å; R537-L539 PolarHBondContact O-N 2.89Å; R537-L540 PolarHBondContact O-N 3.35Å; R537-L541 WeakPolarHBondContact O-CG 3.19Å; R537-L541 PolarHBondContact O-N 2.82Å; R537-N567 PolarHBondContact NH2-OD1 3.15Å; R537-I575 HydrophobicContact CB-CD1 3.97Å
538Q95.1Very high94Very high27 Ų2731.8 Ų31.813%0.12617%0.171CC..Hα-helixtrans-58.8-45.3174-67.8157.39.900111.2P534 T535 T536 L541 S542 N572 E574 I575 R578P534-Q538 VanDerWaalsContact O-CG 3.22Å; P534-Q538 WeakPolarHBondContact O-CG 3.2Å; P534-Q538 PolarHBondContact O-N 3.37Å; T535-Q538 WeakPolarHBondContact O-CB 3.35Å; T535-Q538 PolarHBondContact O-N 3.38Å; T536-Q538 VanDerWaalsContact C-N 3.33Å; T536-Q538 PolarHBondContact O-N 3.45Å; Q538-L541 PolarHBondContact O-N 3.21Å; Q538-S542 PolarHBondContact O-N 2.93Å; Q538-S542 PolarHBondContact O-OG 2.83Å; Q538-N572 PolarHBondContact NE2-OD1 3.02Å; Q538-N572 VanDerWaalsContact NE2-OD1 3.13Å; Q538-E574 HydrophobicContact CG-CB 4Å; Q538-E574 VanDerWaalsContact NE2-CB 3.27Å; Q538-I575 HydrophobicContact CG-CG1 3.64Å; Q538-R578 VanDerWaalsContact C-NH1 3.29Å; Q538-R578 PolarHBondContact O-NH1 3.4Å
539L95.8Very high93.9Very high26 Ų2632.9 Ų32.914%0.13618%0.178CC..Hα-helixtrans-59.3-48.8174.7-178.4158.4000111.2W461 K497 Y501 T535 T536 R537 L541 S542 T543W461-L539 HydrophobicContact CH2-CD1 4.16Å; W461-L539 HydrophobicContact CZ3-CD1 4.49Å; K497-L539 HydrophobicContact CB-CD1 4.19Å; K497-L539 HydrophobicContact CG-CD1 4.43Å; Y501-L539 HydrophobicContact CD2-CD1 4.36Å; T535-L539 PolarHBondContact O-N 3.21Å; T535-L539 VanDerWaalsContact O-N 3.16Å; T536-L539 WeakPolarHBondContact O-CB 3.26Å; T536-L539 PolarHBondContact O-N 2.71Å; R537-L539 VanDerWaalsContact C-N 3.33Å; R537-L539 PolarHBondContact O-N 2.89Å; L539-L541 VanDerWaalsContact C-N 3.31Å; L539-L541 PolarHBondContact O-N 3.23Å; L539-S542 WeakPolarHBondContact O-CA 3.42Å; L539-S542 WeakPolarHBondContact O-CB 3.34Å; L539-S542 PolarHBondContact O-N 2.89Å; L539-T543 PolarHBondContact O-N 2.98Å; L539-T543 PolarHBondContact O-OG1 3.29Å
540L96.9Very high93.7Very high0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-63.3-34179.8-69.3177.4000113V496 L525 F529 T536 R537 S542 T543 Y544V496-L540 HydrophobicContact CG1-CD1 3.99Å; V496-L540 HydrophobicContact CG1-CD2 4.17Å; V496-L540 HydrophobicContact CG1-CG 4.49Å; L525-L540 HydrophobicContact CB-CD2 4.49Å; L525-L540 HydrophobicContact CD2-CD2 4.12Å; F529-L540 HydrophobicContact CB-CD1 4.19Å; F529-L540 HydrophobicContact CD2-CB 3.81Å; F529-L540 HydrophobicContact CD2-CD1 3.78Å; F529-L540 HydrophobicContact CD2-CG 4.47Å; F529-L540 HydrophobicContact CE2-CB 4.17Å; F529-L540 HydrophobicContact CG-CD1 4.46Å; T536-L540 HydrophobicContact CG2-CD1 4.4Å; T536-L540 HydrophobicContact CG2-CG 4.46Å; T536-L540 WeakPolarHBondContact O-CG 3.39Å; T536-L540 PolarHBondContact O-N 3.48Å; R537-L540 PolarHBondContact O-N 3.35Å; L540-S542 VanDerWaalsContact C-N 3.3Å; L540-S542 PolarHBondContact O-N 3.43Å; L540-T543 WeakPolarHBondContact O-CB 3.42Å; L540-T543 PolarHBondContact O-N 3.48Å; L540-Y544 VanDerWaalsContact O-CD1 3.28Å; L540-Y544 WeakPolarHBondContact O-CD1 3.49Å; L540-Y544 WeakPolarHBondContact O-CD2 3.47Å; L540-Y544 PolarHBondContact O-N 3.42Å
541L96Very high93.9Very high0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-62.6-38.9172.8-70.9-178000111.7F529 R537 Q538 L539 Y544 M545 L562 I575 R578 A579 Y582F529-L541 HydrophobicContact CE2-CD2 3.95Å; F529-L541 HydrophobicContact CE2-CG 4.07Å; F529-L541 HydrophobicContact CZ-CD2 3.96Å; F529-L541 HydrophobicContact CZ-CG 4.26Å; R537-L541 WeakPolarHBondContact O-CG 3.19Å; R537-L541 PolarHBondContact O-N 2.82Å; Q538-L541 PolarHBondContact O-N 3.21Å; L539-L541 VanDerWaalsContact C-N 3.31Å; L539-L541 PolarHBondContact O-N 3.23Å; L541-Y544 HydrophobicContact CD2-CD2 4.04Å; L541-Y544 HydrophobicContact CD2-CE2 4.3Å; L541-Y544 PolarHBondContact O-N 2.93Å; L541-M545 PolarHBondContact O-N 3.44Å; L541-M545 VanDerWaalsContact O-N 3.13Å; L541-L562 HydrophobicContact CD2-CD2 3.89Å; L541-I575 HydrophobicContact CD1-CG2 4Å; L541-R578 HydrophobicContact CB-CB 4.45Å; L541-R578 HydrophobicContact CD1-CB 4.11Å; L541-A579 HydrophobicContact CD1-CB 4.42Å; L541-Y582 HydrophobicContact CB-CD2 4.36Å; L541-Y582 HydrophobicContact CB-CE2 4.33Å
542S94.9Very high93.8Very high29 Ų2926.8 Ų26.820%0.20315%0.154CC..Hα-helixtrans-67.6-40.9174-57.10000111.4Q538 L539 L540 Y544 M545 K546 R578 Y582Q538-S542 PolarHBondContact O-N 2.93Å; Q538-S542 PolarHBondContact O-OG 2.83Å; L539-S542 WeakPolarHBondContact O-CA 3.42Å; L539-S542 WeakPolarHBondContact O-CB 3.34Å; L539-S542 PolarHBondContact O-N 2.89Å; L540-S542 VanDerWaalsContact C-N 3.3Å; L540-S542 PolarHBondContact O-N 3.43Å; S542-Y544 VanDerWaalsContact C-N 3.3Å; S542-Y544 PolarHBondContact O-N 3.09Å; S542-M545 WeakPolarHBondContact O-CB 3.41Å; S542-M545 PolarHBondContact O-N 3.41Å; S542-M545 VanDerWaalsContact O-N 3.14Å; S542-K546 PolarHBondContact O-N 3Å; S542-R578 PolarHBondContact OG-NH1 3.12Å; S542-Y582 PolarHBondContact OG-OH 2.91Å
543T96Very high93.7Very high6 Ų631.9 Ų31.94%0.03718%0.176CC..Hα-helixtrans-56.4-42.6171-59.40000111.9G500 L525 L539 L540 M545 K546 F547G500-T543 VanDerWaalsContact C-OG1 3.23Å; G500-T543 WeakPolarHBondContact O-CB 3.13Å; G500-T543 WeakPolarHBondContact O-CG2 3.49Å; G500-T543 PolarHBondContact O-OG1 3.04Å; L525-T543 HydrophobicContact CD1-CG2 3.83Å; L539-T543 PolarHBondContact O-N 2.98Å; L539-T543 PolarHBondContact O-OG1 3.29Å; L540-T543 WeakPolarHBondContact O-CB 3.42Å; L540-T543 PolarHBondContact O-N 3.48Å; T543-M545 VanDerWaalsContact C-N 3.31Å; T543-M545 PolarHBondContact O-N 3.23Å; T543-K546 WeakPolarHBondContact O-CB 3.46Å; T543-K546 PolarHBondContact O-N 2.88Å; T543-F547 HydrophobicContact CG2-CE1 4.47Å; T543-F547 HydrophobicContact CG2-CE2 4.38Å; T543-F547 HydrophobicContact CG2-CZ 4.3Å; T543-F547 PolarHBondContact O-N 2.72Å
544Y95.9Very high93.8Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-65.1-37.3177.7-59.9-21.6000112F522 L525 H526 F529 L540 L541 S542 K546 F547 I548 V561F522-Y544 AromaticContact CD2-CD1 3.86Å; F522-Y544 HydrophobicContact CD2-CD1 3.86Å; F522-Y544 AromaticContact CD2-CE1 3.95Å; F522-Y544 HydrophobicContact CD2-CE1 3.95Å; F522-Y544 AromaticContact CE2-CD1 3.78Å; F522-Y544 HydrophobicContact CE2-CD1 3.78Å; F522-Y544 HydrophobicContact CE2-CD2 4.35Å; F522-Y544 AromaticContact CE2-CE1 3.85Å; F522-Y544 HydrophobicContact CE2-CE1 3.85Å; F522-Y544 HydrophobicContact CE2-CE2 4.42Å; F522-Y544 HydrophobicContact CE2-CG 4.05Å; L525-Y544 HydrophobicContact CB-CE1 4.38Å; H526-Y544 VanDerWaalsContact CA-OH 3.29Å; H526-Y544 WeakPolarHBondContact CA-OH 3.34Å; H526-Y544 AromaticContact ND1-CE2 3.96Å; H526-Y544 AromaticContact ND1-CZ 3.78Å; H526-Y544 PolarHBondContact ND1-OH 2.89Å; H526-Y544 VanDerWaalsContact ND1-OH 3.12Å; F529-Y544 HydrophobicContact CD2-CE2 4.02Å; F529-Y544 HydrophobicContact CE2-CE2 4.19Å; L540-Y544 VanDerWaalsContact O-CD1 3.28Å; L540-Y544 WeakPolarHBondContact O-CD1 3.49Å; L540-Y544 WeakPolarHBondContact O-CD2 3.47Å; L540-Y544 PolarHBondContact O-N 3.42Å; L541-Y544 HydrophobicContact CD2-CD2 4.04Å; L541-Y544 HydrophobicContact CD2-CE2 4.3Å; L541-Y544 PolarHBondContact O-N 2.93Å; S542-Y544 VanDerWaalsContact C-N 3.3Å; S542-Y544 PolarHBondContact O-N 3.09Å; Y544-K546 VanDerWaalsContact C-N 3.33Å; Y544-F547 WeakPolarHBondContact O-CB 3.46Å; Y544-F547 PolarHBondContact O-N 3.15Å; Y544-I548 PolarHBondContact O-N 3.48Å; Y544-I548 VanDerWaalsContact O-N 3.16Å; Y544-V561 HydrophobicContact CD2-CG1 4.49Å; Y544-V561 HydrophobicContact CE2-CG1 4.22Å
545M93.6Very high93.8Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-63.9-41.7174.1-166.365-149.600111.2L541 S542 T543 F547 I548 N549 Y582 L585 L594 L598L541-M545 PolarHBondContact O-N 3.44Å; L541-M545 VanDerWaalsContact O-N 3.13Å; S542-M545 WeakPolarHBondContact O-CB 3.41Å; S542-M545 PolarHBondContact O-N 3.41Å; S542-M545 VanDerWaalsContact O-N 3.14Å; T543-M545 VanDerWaalsContact C-N 3.31Å; T543-M545 PolarHBondContact O-N 3.23Å; M545-F547 VanDerWaalsContact C-N 3.34Å; M545-F547 PolarHBondContact O-N 3.3Å; M545-I548 HydrophobicContact CE-CD1 4.39Å; M545-I548 WeakPolarHBondContact O-CB 3.5Å; M545-I548 PolarHBondContact O-N 3.41Å; M545-I548 VanDerWaalsContact O-N 3.13Å; M545-I548 HydrophobicContact SD-CD1 3.95Å; M545-N549 PolarHBondContact O-N 3.31Å; M545-Y582 HydrophobicContact CB-CD1 4.34Å; M545-Y582 HydrophobicContact CB-CD2 4.04Å; M545-Y582 HydrophobicContact CB-CE2 4.37Å; M545-Y582 HydrophobicContact CB-CG 4.03Å; M545-Y582 HydrophobicContact CG-CD1 4.05Å; M545-Y582 HydrophobicContact CG-CG 4.07Å; M545-Y582 HydrophobicContact SD-CD1 4.44Å; M545-Y582 HydrophobicContact SD-CG 4.21Å; M545-L585 HydrophobicContact CE-CB 4.28Å; M545-L585 HydrophobicContact CE-CD2 3.83Å; M545-L585 HydrophobicContact CE-CG 3.94Å; M545-L594 HydrophobicContact CE-CD2 3.43Å; M545-L594 VanDerWaalsContact CE-CD2 3.43Å; M545-L598 HydrophobicContact CE-CD1 3.77Å; M545-L598 HydrophobicContact CG-CD1 3.84Å; M545-L598 HydrophobicContact CG-CD2 3.86Å
546K94.4Very high93.8Very high26 Ų2628.4 Ų28.411%0.11315%0.152CC..Hα-helixtrans-60.7-39.9172.9-75-87.9-175.9163.60112.6G504 E505 S542 T543 Y544 I548 N549 L550 L598 E599G504-K546 WeakPolarHBondContact O-CB 3.28Å; E505-K546 WeakPolarHBondContact OE1-CE 3.23Å; E505-K546 IonicContact OE1-NZ 2.89Å; E505-K546 PolarHBondContact OE1-NZ 3.5Å; E505-K546 IonicContact OE2-NZ 2.71Å; E505-K546 PolarHBondContact OE2-NZ 3.44Å; S542-K546 PolarHBondContact O-N 3Å; T543-K546 WeakPolarHBondContact O-CB 3.46Å; T543-K546 PolarHBondContact O-N 2.88Å; Y544-K546 VanDerWaalsContact C-N 3.33Å; K546-I548 VanDerWaalsContact C-N 3.28Å; K546-I548 PolarHBondContact O-N 2.65Å; K546-N549 WeakPolarHBondContact O-CB 3.38Å; K546-N549 PolarHBondContact O-N 3.18Å; K546-L550 PolarHBondContact O-N 3.36Å; K546-L598 HydrophobicContact CD-CB 4.29Å; K546-L598 WeakPolarHBondContact CE-O 3.32Å; K546-L598 PolarHBondContact NZ-O 3.34Å; K546-E599 PolarHBondContact NZ-O 3.25Å
547F95.4Very high93.8Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-61.9-29.7173-80.6-8.3000114.1L503 Q521 F522 L525 T543 Y544 M545 N549 F551 I554 I558L503-F547 HydrophobicContact CB-CE1 4.18Å; L503-F547 HydrophobicContact CB-CZ 3.99Å; L503-F547 VanDerWaalsContact O-CE1 3.26Å; L503-F547 WeakPolarHBondContact O-CE1 3.26Å; Q521-F547 HydrophobicContact CB-CE2 4.42Å; Q521-F547 HydrophobicContact CB-CZ 4.05Å; F522-F547 HydrophobicContact CB-CD2 4.16Å; F522-F547 HydrophobicContact CB-CE2 4.16Å; F522-F547 HydrophobicContact CD2-CD2 4.24Å; L525-F547 HydrophobicContact CD1-CE2 3.86Å; L525-F547 HydrophobicContact CD1-CZ 3.87Å; T543-F547 HydrophobicContact CG2-CE1 4.47Å; T543-F547 HydrophobicContact CG2-CE2 4.38Å; T543-F547 HydrophobicContact CG2-CZ 4.3Å; T543-F547 PolarHBondContact O-N 2.72Å; Y544-F547 WeakPolarHBondContact O-CB 3.46Å; Y544-F547 PolarHBondContact O-N 3.15Å; M545-F547 VanDerWaalsContact C-N 3.34Å; M545-F547 PolarHBondContact O-N 3.3Å; F547-N549 VanDerWaalsContact C-N 3.29Å; F547-F551 HydrophobicContact CB-CD2 4.27Å; F547-F551 AromaticContact CD1-CD2 3.94Å; F547-F551 HydrophobicContact CD1-CD2 3.94Å; F547-F551 AromaticContact CD1-CE2 3.75Å; F547-F551 HydrophobicContact CD1-CE2 3.75Å; F547-F551 AromaticContact CE1-CE2 3.92Å; F547-F551 HydrophobicContact CE1-CE2 3.92Å; F547-F551 HydrophobicContact CG-CD2 4.19Å; F547-F551 HydrophobicContact CG-CE2 4.4Å; F547-F551 CarbonylContact O-C 3.58Å; F547-F551 WeakPolarHBondContact O-CA 3.46Å; F547-F551 WeakPolarHBondContact O-CB 3.39Å; F547-F551 PolarHBondContact O-N 2.79Å; F547-I554 HydrophobicContact CB-CD1 4.21Å; F547-I554 HydrophobicContact CD2-CD1 4.46Å; F547-I558 HydrophobicContact CB-CD1 3.71Å
548I92.6Very high93.7Very high4 Ų428.9 Ų28.92%0.02116%0.158CC..Hα-helixtrans-64.2-39.6172.5-68.4168.8000110.5Y544 M545 K546 K555 I558 L594Y544-I548 PolarHBondContact O-N 3.48Å; Y544-I548 VanDerWaalsContact O-N 3.16Å; M545-I548 HydrophobicContact CE-CD1 4.39Å; M545-I548 WeakPolarHBondContact O-CB 3.5Å; M545-I548 PolarHBondContact O-N 3.41Å; M545-I548 VanDerWaalsContact O-N 3.13Å; M545-I548 HydrophobicContact SD-CD1 3.95Å; K546-I548 VanDerWaalsContact C-N 3.28Å; K546-I548 PolarHBondContact O-N 2.65Å; I548-K555 HydrophobicContact CG1-CG 4.39Å; I548-K555 HydrophobicContact CG2-CB 4.26Å; I548-K555 HydrophobicContact CG2-CD 3.97Å; I548-K555 HydrophobicContact CG2-CG 3.84Å; I548-I558 HydrophobicContact CD1-CB 4.1Å; I548-I558 HydrophobicContact CD1-CG2 3.58Å; I548-I558 HydrophobicContact CG1-CB 4.02Å; I548-I558 HydrophobicContact CG1-CD1 3.71Å; I548-I558 HydrophobicContact CG1-CG1 4.48Å; I548-I558 HydrophobicContact CG1-CG2 3.88Å; I548-L594 HydrophobicContact CG2-CD1 4.25Å
549N90.9Very high93.7Very high45 Ų4529.3 Ų29.324%0.24116%0.16CC..Hα-helixtrans-69.7-45.6178-169.848.6000111.8M545 K546 F547 A595 L598M545-N549 PolarHBondContact O-N 3.31Å; K546-N549 WeakPolarHBondContact O-CB 3.38Å; K546-N549 PolarHBondContact O-N 3.18Å; F547-N549 VanDerWaalsContact C-N 3.29Å; N549-A595 VanDerWaalsContact OD1-CA 3.3Å; N549-A595 WeakPolarHBondContact OD1-CA 3.04Å; N549-A595 PolarHBondContact OD1-N 3.02Å; N549-L598 HydrophobicContact CB-CB 4.02Å; N549-L598 HydrophobicContact CB-CD1 3.83Å
550L90Very high93.5Very high41 Ų4130.8 Ų30.822%0.21517%0.173CC..Hα-helixtrans-70.8-34.4179.8-66.2-179.2000112.9G504 N508 K546G504-L550 WeakPolarHBondContact O-CD1 3.31Å; N508-L550 HydrophobicContact CB-CD2 4.25Å; K546-L550 PolarHBondContact O-N 3.36Å
551F93.4Very high93.3Very high8 Ų831.2 Ų31.24%0.03518%0.175CC..  trans-137.779.5-169.2-48.4-56.6000112.1N508 A511 P518 F547 E553 I554N508-F551 HydrophobicContact CB-CE1 4.07Å; N508-F551 HydrophobicContact CB-CZ 4.25Å; A511-F551 HydrophobicContact CB-CE1 3.56Å; A511-F551 HydrophobicContact CB-CZ 3.88Å; P518-F551 HydrophobicContact CB-CB 3.8Å; P518-F551 HydrophobicContact CB-CD1 3.76Å; P518-F551 HydrophobicContact CB-CD2 3.66Å; P518-F551 HydrophobicContact CB-CE1 4.19Å; P518-F551 HydrophobicContact CB-CE2 4.07Å; P518-F551 HydrophobicContact CB-CG 3.46Å; P518-F551 VanDerWaalsContact CB-CG 3.46Å; P518-F551 HydrophobicContact CB-CZ 4.3Å; P518-F551 HydrophobicContact CG-CB 4.2Å; P518-F551 HydrophobicContact CG-CD1 3.35Å; P518-F551 HydrophobicContact CG-CD2 4.16Å; P518-F551 HydrophobicContact CG-CE1 3.6Å; P518-F551 HydrophobicContact CG-CE2 4.33Å; P518-F551 HydrophobicContact CG-CG 3.65Å; P518-F551 HydrophobicContact CG-CZ 4.06Å; F547-F551 HydrophobicContact CB-CD2 4.27Å; F547-F551 AromaticContact CD1-CD2 3.94Å; F547-F551 HydrophobicContact CD1-CD2 3.94Å; F547-F551 AromaticContact CD1-CE2 3.75Å; F547-F551 HydrophobicContact CD1-CE2 3.75Å; F547-F551 AromaticContact CE1-CE2 3.92Å; F547-F551 HydrophobicContact CE1-CE2 3.92Å; F547-F551 HydrophobicContact CG-CD2 4.19Å; F547-F551 HydrophobicContact CG-CE2 4.4Å; F547-F551 CarbonylContact O-C 3.58Å; F547-F551 WeakPolarHBondContact O-CA 3.46Å; F547-F551 WeakPolarHBondContact O-CB 3.39Å; F547-F551 PolarHBondContact O-N 2.79Å; F551-E553 PolarHBondContact O-N 3.1Å; F551-I554 HydrophobicContact CB-CD1 3.96Å; F551-I554 HydrophobicContact CB-CG1 3.71Å; F551-I554 HydrophobicContact CD2-CD1 4.08Å; F551-I554 HydrophobicContact CG-CD1 4.45Å; F551-I554 VanDerWaalsContact O-CG1 3.3Å; F551-I554 WeakPolarHBondContact O-CG1 3.47Å; F551-I554 PolarHBondContact O-N 2.92Å
552P88.9Confident93.1Very high79 Ų7931.2 Ų31.251%0.51318%0.175SC..G310 helixtrans-55-27.7-179.6-27.236000114.3I554 K555P552-I554 VanDerWaalsContact C-N 3.33Å; P552-I554 PolarHBondContact O-N 3.29Å; P552-K555 WeakPolarHBondContact O-CB 3.39Å; P552-K555 PolarHBondContact O-N 3.24Å
553E91Very high92.9Very high125 Ų12533.6 Ų33.658%0.58418%0.183SC*.G310 helixtrans-66.3-26.7-178.762.9-89.8-152.400114.5F551F551-E553 PolarHBondContact O-N 3.1Å
554I93.5Very high92.6Very high6 Ų636.5 Ų36.53%0.03120%0.199CC..G310 helixtrans-98.96.3177.760.8169.4000112.9P518 K519 F522 F547 F551 P552 S556 D557 I558P518-I554 HydrophobicContact CB-CD1 4.08Å; P518-I554 HydrophobicContact CB-CG2 4.3Å; K519-I554 HydrophobicContact CB-CG2 4.02Å; K519-I554 HydrophobicContact CD-CG2 4.11Å; F522-I554 HydrophobicContact CB-CD1 4.11Å; F547-I554 HydrophobicContact CB-CD1 4.21Å; F547-I554 HydrophobicContact CD2-CD1 4.46Å; F551-I554 HydrophobicContact CB-CD1 3.96Å; F551-I554 HydrophobicContact CB-CG1 3.71Å; F551-I554 HydrophobicContact CD2-CD1 4.08Å; F551-I554 HydrophobicContact CG-CD1 4.45Å; F551-I554 VanDerWaalsContact O-CG1 3.3Å; F551-I554 WeakPolarHBondContact O-CG1 3.47Å; F551-I554 PolarHBondContact O-N 2.92Å; P552-I554 VanDerWaalsContact C-N 3.33Å; P552-I554 PolarHBondContact O-N 3.29Å; I554-S556 VanDerWaalsContact C-N 3.29Å; I554-S556 PolarHBondContact O-N 2.97Å; I554-D557 WeakPolarHBondContact O-CB 3.42Å; I554-D557 PolarHBondContact O-N 3.25Å; I554-D557 VanDerWaalsContact O-N 3.16Å; I554-I558 HydrophobicContact CD1-CD1 3.9Å; I554-I558 HydrophobicContact CG1-CD1 3.92Å; I554-I558 PolarHBondContact O-N 3.33Å; I554-I558 VanDerWaalsContact O-N 3.16Å
555K93.1Very high91.9Very high50 Ų5041.3 Ų41.322%0.21722%0.224CC..Hα-helixtrans-53.8-43.3-179.4178.2175.4-178.7170.40112.9I548 P552 D557 I558 Q559 S586I548-K555 HydrophobicContact CG1-CG 4.39Å; I548-K555 HydrophobicContact CG2-CB 4.26Å; I548-K555 HydrophobicContact CG2-CD 3.97Å; I548-K555 HydrophobicContact CG2-CG 3.84Å; P552-K555 WeakPolarHBondContact O-CB 3.39Å; P552-K555 PolarHBondContact O-N 3.24Å; K555-D557 VanDerWaalsContact C-N 3.34Å; K555-D557 PolarHBondContact O-N 2.97Å; K555-I558 PolarHBondContact O-N 3.04Å; K555-Q559 WeakPolarHBondContact O-CB 3.39Å; K555-Q559 VanDerWaalsContact O-CG 3.32Å; K555-Q559 WeakPolarHBondContact O-CG 3.31Å; K555-Q559 PolarHBondContact O-N 3.09Å; K555-S586 WeakPolarHBondContact CE-O 3.5Å; K555-S586 PolarHBondContact NZ-O 2.95Å; K555-S586 VanDerWaalsContact NZ-O 3.08Å
556S92.9Very high91.4Very high80 Ų8044.2 Ų44.256%0.55925%0.245SC*.Hα-helixtrans-62.6-40.2-179.158.90000112.5I554 Q559 S560I554-S556 VanDerWaalsContact C-N 3.29Å; I554-S556 PolarHBondContact O-N 2.97Å; S556-Q559 PolarHBondContact O-N 2.96Å; S556-S560 PolarHBondContact O-N 2.85Å
557D93.7Very high91Very high54 Ų5443 Ų4329%0.28924%0.239SC..Hα-helixtrans-66.6-43.8177.5-64.8-72.8000111.8K519 F522 I554 K555 Q559 S560 V561K519-D557 VanDerWaalsContact NZ-CB 3.28Å; K519-D557 IonicContact NZ-OD1 3.56Å; K519-D557 PolarHBondContact NZ-OD1 3.1Å; K519-D557 IonicContact NZ-OD2 2.76Å; K519-D557 PolarHBondContact NZ-OD2 3.25Å; F522-D557 HydrophobicContact CE1-CB 4.36Å; I554-D557 WeakPolarHBondContact O-CB 3.42Å; I554-D557 PolarHBondContact O-N 3.25Å; I554-D557 VanDerWaalsContact O-N 3.16Å; K555-D557 VanDerWaalsContact C-N 3.34Å; K555-D557 PolarHBondContact O-N 2.97Å; D557-Q559 VanDerWaalsContact C-N 3.34Å; D557-Q559 PolarHBondContact O-N 2.9Å; D557-S560 WeakPolarHBondContact O-CB 3.34Å; D557-S560 PolarHBondContact O-N 3.43Å; D557-S560 PolarHBondContact O-OG 3.35Å; D557-V561 PolarHBondContact O-N 3.07Å
558I94.2Very high90.6Very high0 Ų045.1 Ų45.10%025%0.251CS..Hα-helixtrans-65-42178.2-66.4163.9000110.3F522 F547 I548 I554 K555 S560 V561 L562F522-I558 HydrophobicContact CD2-CD1 4.49Å; F522-I558 HydrophobicContact CD2-CG1 3.93Å; F522-I558 HydrophobicContact CE2-CG1 3.68Å; F522-I558 HydrophobicContact CZ-CG1 4.11Å; F547-I558 HydrophobicContact CB-CD1 3.71Å; I548-I558 HydrophobicContact CD1-CB 4.1Å; I548-I558 HydrophobicContact CD1-CG2 3.58Å; I548-I558 HydrophobicContact CG1-CB 4.02Å; I548-I558 HydrophobicContact CG1-CD1 3.71Å; I548-I558 HydrophobicContact CG1-CG1 4.48Å; I548-I558 HydrophobicContact CG1-CG2 3.88Å; I554-I558 HydrophobicContact CD1-CD1 3.9Å; I554-I558 HydrophobicContact CG1-CD1 3.92Å; I554-I558 PolarHBondContact O-N 3.33Å; I554-I558 VanDerWaalsContact O-N 3.16Å; K555-I558 PolarHBondContact O-N 3.04Å; I558-S560 PolarHBondContact O-N 2.71Å; I558-V561 PolarHBondContact O-N 3.16Å; I558-V561 VanDerWaalsContact O-N 3.1Å; I558-L562 HydrophobicContact CG2-CD1 4.01Å; I558-L562 HydrophobicContact CG2-CG 4.31Å; I558-L562 WeakPolarHBondContact O-CG 3.34Å; I558-L562 PolarHBondContact O-N 3.31Å
559Q94.4Very high90.4Very high35 Ų3554.2 Ų54.216%0.16429%0.285CS..Hα-helixtrans-59.4-35.5174.4-77.4-178.6-1800112.5K555 S556 D557 Q563 L583 S586K555-Q559 WeakPolarHBondContact O-CB 3.39Å; K555-Q559 VanDerWaalsContact O-CG 3.32Å; K555-Q559 WeakPolarHBondContact O-CG 3.31Å; K555-Q559 PolarHBondContact O-N 3.09Å; S556-Q559 PolarHBondContact O-N 2.96Å; D557-Q559 VanDerWaalsContact C-N 3.34Å; D557-Q559 PolarHBondContact O-N 2.9Å; Q559-Q563 WeakPolarHBondContact O-CB 3.41Å; Q559-Q563 WeakPolarHBondContact O-CG 3.38Å; Q559-Q563 PolarHBondContact O-N 2.59Å; Q559-Q563 PolarHBondContact O-NE2 3.22Å; Q559-L583 HydrophobicContact CB-CD1 4.39Å; Q559-L583 HydrophobicContact CG-CD1 4.36Å; Q559-S586 WeakPolarHBondContact CG-OG 3.33Å; Q559-S586 PolarHBondContact NE2-O 2.95Å; Q559-S586 PolarHBondContact NE2-OG 3.28Å
560S92.1Very high90.3Very high58 Ų5852.7 Ų52.741%0.40628%0.278SS..Hα-helixtrans-64.1-41.7174.880.40000111.6S556 D557 I558 Q563 N564S556-S560 PolarHBondContact O-N 2.85Å; D557-S560 WeakPolarHBondContact O-CB 3.34Å; D557-S560 PolarHBondContact O-N 3.43Å; D557-S560 PolarHBondContact O-OG 3.35Å; I558-S560 PolarHBondContact O-N 2.71Å; S560-Q563 PolarHBondContact O-N 3.29Å; S560-N564 PolarHBondContact O-N 3.35Å; S560-N564 PolarHBondContact O-OD1 2.92Å
561V91.9Very high90.2Very high8 Ų856.7 Ų56.75%0.04831%0.309CS..Hα-helixtrans-67.9-40.4177.4171.30000112.1F522 H526 Y544 D557 I558 Q563 N564 N567F522-V561 HydrophobicContact CZ-CB 4.47Å; F522-V561 HydrophobicContact CZ-CG2 3.82Å; H526-V561 VanDerWaalsContact CE1-CG1 3.42Å; H526-V561 WeakPolarHBondContact CE1-CG1 3.36Å; Y544-V561 HydrophobicContact CD2-CG1 4.49Å; Y544-V561 HydrophobicContact CE2-CG1 4.22Å; D557-V561 PolarHBondContact O-N 3.07Å; I558-V561 PolarHBondContact O-N 3.16Å; I558-V561 VanDerWaalsContact O-N 3.1Å; V561-Q563 VanDerWaalsContact C-N 3.27Å; V561-Q563 PolarHBondContact O-N 3.41Å; V561-N564 WeakPolarHBondContact O-CB 3.47Å; V561-N564 PolarHBondContact O-N 3.13Å; V561-N567 PolarHBondContact O-ND2 3.47Å
562L91.6Very high90.1Very high0 Ų058.6 Ų58.60%032%0.32CS..Hα-helixtrans-65.5-31.6175.3-66.7172000112.1L541 I558 N564 L568 L583L541-L562 HydrophobicContact CD2-CD2 3.89Å; I558-L562 HydrophobicContact CG2-CD1 4.01Å; I558-L562 HydrophobicContact CG2-CG 4.31Å; I558-L562 WeakPolarHBondContact O-CG 3.34Å; I558-L562 PolarHBondContact O-N 3.31Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-L568 WeakPolarHBondContact O-CG 3.44Å; L562-L583 HydrophobicContact CB-CB 4.17Å; L562-L583 HydrophobicContact CB-CD1 4.29Å
563Q91.8Very high90.3Very high79 Ų7959.5 Ų59.537%0.36932%0.323SS..Hα-helixtrans-76.1-13.8176.4-76.8168.14800114.3Q559 S560 V561 D565 L568 L583Q559-Q563 WeakPolarHBondContact O-CB 3.41Å; Q559-Q563 WeakPolarHBondContact O-CG 3.38Å; Q559-Q563 PolarHBondContact O-N 2.59Å; Q559-Q563 PolarHBondContact O-NE2 3.22Å; S560-Q563 PolarHBondContact O-N 3.29Å; V561-Q563 VanDerWaalsContact C-N 3.27Å; V561-Q563 PolarHBondContact O-N 3.41Å; Q563-D565 PolarHBondContact O-N 3.06Å; Q563-L568 WeakPolarHBondContact O-CD1 2.98Å; Q563-L583 HydrophobicContact CG-CD1 3.71Å; Q563-L583 HydrophobicContact CG-CD2 3.53Å; Q563-L583 HydrophobicContact CG-CG 4.29Å
564N89.5Confident90.4Very high68 Ų6857.7 Ų57.736%0.36432%0.315SS..SBendtrans-58.8132.6179.8-72.7-20.1000110.8S560 V561 L562 S566 N567 L568S560-N564 PolarHBondContact O-N 3.35Å; S560-N564 PolarHBondContact O-OD1 2.92Å; V561-N564 WeakPolarHBondContact O-CB 3.47Å; V561-N564 PolarHBondContact O-N 3.13Å; L562-N564 VanDerWaalsContact C-N 3.31Å; N564-S566 PolarHBondContact O-N 3.02Å; N564-S566 VanDerWaalsContact O-N 3.08Å; N564-N567 PolarHBondContact O-N 3.34Å; N564-L568 PolarHBondContact O-N 3.14Å; N564-L568 VanDerWaalsContact O-N 3.13Å
565D81.5Confident90.5Very high100 Ų10057.5 Ų57.554%0.53531%0.314SS..Hα-helixtrans-56.3-30.2-178.9-83.2-28.7000112.5Q563 N567 R569Q563-D565 PolarHBondContact O-N 3.06Å; D565-N567 PolarHBondContact O-N 3.24Å; D565-N567 VanDerWaalsContact O-N 3.16Å; D565-R569 WeakPolarHBondContact O-CA 3.21Å; D565-R569 WeakPolarHBondContact O-CB 3.32Å; D565-R569 PolarHBondContact O-N 3.4Å; D565-R569 IonicContact OD1-NE 3.8Å
566S83.1Confident90.6Very high62 Ų6258.7 Ų58.743%0.43432%0.32SS..Hα-helixtrans-60.9-21.6175.361.80000114N564N564-S566 PolarHBondContact O-N 3.02Å; N564-S566 VanDerWaalsContact O-N 3.08Å
567N86Confident90.7Very high0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-101.3-51177.9-65.1-31000110.4R537 V561 N564 D565 R569 S570 Q576 A579R537-N567 PolarHBondContact NH2-OD1 3.15Å; V561-N567 PolarHBondContact O-ND2 3.47Å; N564-N567 PolarHBondContact O-N 3.34Å; D565-N567 PolarHBondContact O-N 3.24Å; D565-N567 VanDerWaalsContact O-N 3.16Å; N567-R569 VanDerWaalsContact C-N 3.32Å; N567-R569 PolarHBondContact O-N 2.88Å; N567-S570 WeakPolarHBondContact O-CB 3.48Å; N567-S570 PolarHBondContact O-N 3.49Å; N567-Q576 WeakPolarHBondContact O-CA 3.28Å; N567-A579 HydrophobicContact CB-CB 3.79Å
568L86.1Confident90.7Very high46 Ų4659.4 Ų59.424%0.24131%0.31CS..Hα-helixtrans-65.1-31.8-178.9-69.9-179000114L562 Q563 N564 Q576 A579 L583L562-L568 WeakPolarHBondContact O-CG 3.44Å; Q563-L568 WeakPolarHBondContact O-CD1 2.98Å; N564-L568 PolarHBondContact O-N 3.14Å; N564-L568 VanDerWaalsContact O-N 3.13Å; L568-Q576 WeakPolarHBondContact O-CG 3.48Å; L568-Q576 PolarHBondContact O-NE2 2.95Å; L568-A579 HydrophobicContact CD2-CB 4.37Å; L568-L583 HydrophobicContact CD1-CD2 4.5Å; L568-L583 HydrophobicContact CD2-CD2 4.29Å
569R88Confident90.7Very high194 Ų19459.4 Ų59.473%0.73231%0.31SS*.THydrogen-bonded Turntrans-113.626.5177.3-55.4-178.1-176.4175.73.1111.2D565 N567D565-R569 WeakPolarHBondContact O-CA 3.21Å; D565-R569 WeakPolarHBondContact O-CB 3.32Å; D565-R569 PolarHBondContact O-N 3.4Å; D565-R569 IonicContact OD1-NE 3.8Å; N567-R569 VanDerWaalsContact C-N 3.32Å; N567-R569 PolarHBondContact O-N 2.88Å
570S88.8Confident90.7Very high14 Ų1461 Ų6110%0.09832%0.323CS..  trans-57.9138.7173.4176.90000110N567 N572N567-S570 WeakPolarHBondContact O-CB 3.48Å; N567-S570 PolarHBondContact O-N 3.49Å; S570-N572 PolarHBondContact O-N 3.23Å; S570-N572 PolarHBondContact OG-N 3.24Å; S570-N572 VanDerWaalsContact OG-N 3.14Å; S570-N572 PolarHBondContact OG-O 3.11Å
571S89.3Confident90.8Very high125 Ų12563.2 Ų63.287%0.87433%0.327SS*.SBendtrans-70.4-16.9171.453.70000112.9
572N91.8Very high91Very high48 Ų4865.1 Ų65.126%0.25733%0.333SS..SBendtrans-86.9112.6173.3-175.6-71.9000109.6P534 Q538 S570 E574 I575 Q576P534-N572 WeakPolarHBondContact CB-ND2 3.25Å; Q538-N572 PolarHBondContact NE2-OD1 3.02Å; Q538-N572 VanDerWaalsContact NE2-OD1 3.13Å; S570-N572 PolarHBondContact O-N 3.23Å; S570-N572 PolarHBondContact OG-N 3.24Å; S570-N572 VanDerWaalsContact OG-N 3.14Å; S570-N572 PolarHBondContact OG-O 3.11Å; N572-E574 VanDerWaalsContact C-N 3.34Å; N572-E574 PolarHBondContact O-N 3.14Å; N572-E574 WeakPolarHBondContact OD1-CB 3.42Å; N572-E574 PolarHBondContact OD1-N 3.11Å; N572-I575 HydrophobicContact CB-CB 4.2Å; N572-I575 HydrophobicContact CB-CD1 4.03Å; N572-I575 HydrophobicContact CB-CG1 4.19Å; N572-I575 PolarHBondContact O-N 3.44Å; N572-I575 PolarHBondContact OD1-N 3.22Å; N572-I575 VanDerWaalsContact OD1-N 3.12Å; N572-Q576 PolarHBondContact O-N 2.83Å
573V93.1Very high91.1Very high97 Ų9765.7 Ų65.759%0.58834%0.336SS*.Hα-helixtrans-57.5-43-174.3-179.70000112.2I575 Q576 Q577V573-I575 PolarHBondContact O-N 3.38Å; V573-Q576 PolarHBondContact O-N 3.05Å; V573-Q577 VanDerWaalsContact O-CB 3.29Å; V573-Q577 WeakPolarHBondContact O-CB 3.43Å; V573-Q577 PolarHBondContact O-N 3.34Å
574E93.2Very high91.1Very high88 Ų8864 Ų6441%0.41134%0.335SS..Hα-helixtrans-62.9-41.8178.4-74.5-68.1151.400112.6Q538 N572 R578Q538-E574 HydrophobicContact CG-CB 4Å; Q538-E574 VanDerWaalsContact NE2-CB 3.27Å; N572-E574 VanDerWaalsContact C-N 3.34Å; N572-E574 PolarHBondContact O-N 3.14Å; N572-E574 WeakPolarHBondContact OD1-CB 3.42Å; N572-E574 PolarHBondContact OD1-N 3.11Å; E574-R578 WeakPolarHBondContact O-CB 3.29Å; E574-R578 WeakPolarHBondContact O-CG 3.3Å; E574-R578 PolarHBondContact O-N 3.47Å
575I93.9Very high91.2Very high1 Ų163 Ų631%0.00533%0.33CS..Hα-helixtrans-64.3-45.6174.8-69.3178.2000110.3P534 R537 Q538 L541 N572 V573 A579P534-I575 HydrophobicContact CB-CD1 3.97Å; R537-I575 HydrophobicContact CB-CD1 3.97Å; Q538-I575 HydrophobicContact CG-CG1 3.64Å; L541-I575 HydrophobicContact CD1-CG2 4Å; N572-I575 HydrophobicContact CB-CB 4.2Å; N572-I575 HydrophobicContact CB-CD1 4.03Å; N572-I575 HydrophobicContact CB-CG1 4.19Å; N572-I575 PolarHBondContact O-N 3.44Å; N572-I575 PolarHBondContact OD1-N 3.22Å; N572-I575 VanDerWaalsContact OD1-N 3.12Å; V573-I575 PolarHBondContact O-N 3.38Å; I575-A579 WeakPolarHBondContact O-CB 3.47Å; I575-A579 PolarHBondContact O-N 2.83Å
576Q94.8Very high91.7Very high76 Ų7658.2 Ų58.236%0.35530%0.304SS..Hα-helixtrans-61.5-45.1179171.2175.760.100111.6N567 L568 N572 V573 A579 T580N567-Q576 WeakPolarHBondContact O-CA 3.28Å; L568-Q576 WeakPolarHBondContact O-CG 3.48Å; L568-Q576 PolarHBondContact O-NE2 2.95Å; N572-Q576 PolarHBondContact O-N 2.83Å; V573-Q576 PolarHBondContact O-N 3.05Å; Q576-A579 PolarHBondContact O-N 2.62Å; Q576-T580 WeakPolarHBondContact O-CB 3.4Å; Q576-T580 PolarHBondContact O-N 3.35Å; Q576-T580 PolarHBondContact O-OG1 3.26Å
577Q95.5Very high92.1Very high84 Ų8462.1 Ų62.139%0.39331%0.309SS..Hα-helixtrans-63.1-53.6179.6-174.9176.5-7.800110.5V573 A579 T580 E581V573-Q577 VanDerWaalsContact O-CB 3.29Å; V573-Q577 WeakPolarHBondContact O-CB 3.43Å; V573-Q577 PolarHBondContact O-N 3.34Å; Q577-A579 VanDerWaalsContact C-N 3.32Å; Q577-A579 PolarHBondContact O-N 3.02Å; Q577-T580 PolarHBondContact O-N 2.87Å; Q577-E581 HydrophobicContact CG-CG 4.25Å; Q577-E581 WeakPolarHBondContact CG-OE1 3.39Å; Q577-E581 PolarHBondContact NE2-OE1 2.86Å; Q577-E581 WeakPolarHBondContact O-CB 3.46Å; Q577-E581 WeakPolarHBondContact O-CG 3.36Å; Q577-E581 PolarHBondContact O-N 3.38Å
578R94.9Very high92.3Very high65 Ų6568.8 Ų68.825%0.24534%0.344CS..Hα-helixtrans-57.2-44.4176.3-71.5-175.9-166.8-151.60.7111.9Q538 L541 S542 E574 T580 Y582Q538-R578 VanDerWaalsContact C-NH1 3.29Å; Q538-R578 PolarHBondContact O-NH1 3.4Å; L541-R578 HydrophobicContact CB-CB 4.45Å; L541-R578 HydrophobicContact CD1-CB 4.11Å; S542-R578 PolarHBondContact OG-NH1 3.12Å; E574-R578 WeakPolarHBondContact O-CB 3.29Å; E574-R578 WeakPolarHBondContact O-CG 3.3Å; E574-R578 PolarHBondContact O-N 3.47Å; R578-T580 PolarHBondContact O-N 3Å; R578-Y582 HydrophobicContact CB-CD2 3.99Å; R578-Y582 HydrophobicContact CB-CE2 3.73Å; R578-Y582 HydrophobicContact CG-CE2 3.98Å; R578-Y582 WeakPolarHBondContact O-CB 3.36Å; R578-Y582 VanDerWaalsContact O-CD2 3.23Å; R578-Y582 WeakPolarHBondContact O-CD2 3.35Å; R578-Y582 PolarHBondContact O-N 2.93Å
579A93.8Very high92.3Very high0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-62-43.7179.100000112.4L541 N567 L568 I575 Q576 Q577 L583L541-A579 HydrophobicContact CD1-CB 4.42Å; N567-A579 HydrophobicContact CB-CB 3.79Å; L568-A579 HydrophobicContact CD2-CB 4.37Å; I575-A579 WeakPolarHBondContact O-CB 3.47Å; I575-A579 PolarHBondContact O-N 2.83Å; Q576-A579 PolarHBondContact O-N 2.62Å; Q577-A579 VanDerWaalsContact C-N 3.32Å; Q577-A579 PolarHBondContact O-N 3.02Å; A579-L583 WeakPolarHBondContact O-CB 3.46Å; A579-L583 PolarHBondContact O-N 3.08Å; A579-L583 VanDerWaalsContact O-N 3.08Å
580T94.1Very high92.3Very high69 Ų6962 Ų6242%0.42333%0.328SS..Hα-helixtrans-71.4-47.7-178.5-53.80000111.5Q576 Q577 R578 L583 A584Q576-T580 WeakPolarHBondContact O-CB 3.4Å; Q576-T580 PolarHBondContact O-N 3.35Å; Q576-T580 PolarHBondContact O-OG1 3.26Å; Q577-T580 PolarHBondContact O-N 2.87Å; R578-T580 PolarHBondContact O-N 3Å; T580-L583 PolarHBondContact O-N 2.89Å; T580-A584 WeakPolarHBondContact O-CB 3.26Å; T580-A584 PolarHBondContact O-N 3.29Å
581E94.4Very high92.2Very high104 Ų10466.7 Ų66.749%0.48635%0.352SS..Hα-helixtrans-69.5-44.8-178.5-69.9-179-166.300111.7Q577 L583 A584 L585Q577-E581 HydrophobicContact CG-CG 4.25Å; Q577-E581 WeakPolarHBondContact CG-OE1 3.39Å; Q577-E581 PolarHBondContact NE2-OE1 2.86Å; Q577-E581 WeakPolarHBondContact O-CB 3.46Å; Q577-E581 WeakPolarHBondContact O-CG 3.36Å; Q577-E581 PolarHBondContact O-N 3.38Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.25Å; E581-A584 PolarHBondContact O-N 3.23Å; E581-L585 VanDerWaalsContact O-CB 3.28Å; E581-L585 WeakPolarHBondContact O-CB 3.3Å; E581-L585 PolarHBondContact O-N 3.39Å
582Y95Very high92.1Very high47 Ų4767 Ų6718%0.18434%0.344CS..Hα-helixtrans-65.9-35.1176.1-63.4-20.7000111.8L541 S542 M545 R578 S586L541-Y582 HydrophobicContact CB-CD2 4.36Å; L541-Y582 HydrophobicContact CB-CE2 4.33Å; S542-Y582 PolarHBondContact OG-OH 2.91Å; M545-Y582 HydrophobicContact CB-CD1 4.34Å; M545-Y582 HydrophobicContact CB-CD2 4.04Å; M545-Y582 HydrophobicContact CB-CE2 4.37Å; M545-Y582 HydrophobicContact CB-CG 4.03Å; M545-Y582 HydrophobicContact CG-CD1 4.05Å; M545-Y582 HydrophobicContact CG-CG 4.07Å; M545-Y582 HydrophobicContact SD-CD1 4.44Å; M545-Y582 HydrophobicContact SD-CG 4.21Å; R578-Y582 HydrophobicContact CB-CD2 3.99Å; R578-Y582 HydrophobicContact CB-CE2 3.73Å; R578-Y582 HydrophobicContact CG-CE2 3.98Å; R578-Y582 WeakPolarHBondContact O-CB 3.36Å; R578-Y582 VanDerWaalsContact O-CD2 3.23Å; R578-Y582 WeakPolarHBondContact O-CD2 3.35Å; R578-Y582 PolarHBondContact O-N 2.93Å; Y582-S586 VanDerWaalsContact O-CB 3.26Å; Y582-S586 WeakPolarHBondContact O-CB 3.5Å; Y582-S586 PolarHBondContact O-N 3.45Å; Y582-S586 PolarHBondContact O-OG 3.12Å
583L93.8Very high92Very high13 Ų1368 Ų687%0.06835%0.351CS..Hα-helixtrans-63.4-46.2172.7179.861000111.4Q559 L562 Q563 L568 A579 T580 E581 S586 R587Q559-L583 HydrophobicContact CB-CD1 4.39Å; Q559-L583 HydrophobicContact CG-CD1 4.36Å; L562-L583 HydrophobicContact CB-CB 4.17Å; L562-L583 HydrophobicContact CB-CD1 4.29Å; Q563-L583 HydrophobicContact CG-CD1 3.71Å; Q563-L583 HydrophobicContact CG-CD2 3.53Å; Q563-L583 HydrophobicContact CG-CG 4.29Å; L568-L583 HydrophobicContact CD1-CD2 4.5Å; L568-L583 HydrophobicContact CD2-CD2 4.29Å; A579-L583 WeakPolarHBondContact O-CB 3.46Å; A579-L583 PolarHBondContact O-N 3.08Å; A579-L583 VanDerWaalsContact O-N 3.08Å; T580-L583 PolarHBondContact O-N 2.89Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.25Å; L583-S586 PolarHBondContact O-OG 3.05Å; L583-R587 WeakPolarHBondContact O-CG 3.09Å; L583-R587 PolarHBondContact O-N 3.07Å
584A91.9Very high91.7Very high42 Ų4263.5 Ų63.535%0.34732%0.324SS..Hα-helixtrans-62.5-47.6177.100000111.4T580 E581 S586 R587 I588T580-A584 WeakPolarHBondContact O-CB 3.26Å; T580-A584 PolarHBondContact O-N 3.29Å; E581-A584 PolarHBondContact O-N 3.23Å; A584-S586 PolarHBondContact O-N 2.9Å; A584-R587 PolarHBondContact O-N 3.25Å; A584-R587 VanDerWaalsContact O-N 3.14Å; A584-I588 HydrophobicContact CB-CD1 4.45Å; A584-I588 WeakPolarHBondContact O-CB 3.24Å; A584-I588 WeakPolarHBondContact O-CG1 3.35Å; A584-I588 PolarHBondContact O-N 2.9Å
585L92.3Very high91.4Very high48 Ų4861.6 Ų61.625%0.25132%0.323SS..Hα-helixtrans-58.6-47.4178.3-173.566.4000111M545 E581 R587 I588 A589 L594 V597M545-L585 HydrophobicContact CE-CB 4.28Å; M545-L585 HydrophobicContact CE-CD2 3.83Å; M545-L585 HydrophobicContact CE-CG 3.94Å; E581-L585 VanDerWaalsContact O-CB 3.28Å; E581-L585 WeakPolarHBondContact O-CB 3.3Å; E581-L585 PolarHBondContact O-N 3.39Å; L585-R587 PolarHBondContact O-N 2.63Å; L585-R587 VanDerWaalsContact O-N 3.16Å; L585-I588 PolarHBondContact O-N 3.22Å; L585-A589 HydrophobicContact CD1-CB 3.79Å; L585-A589 HydrophobicContact CG-CB 4.32Å; L585-A589 WeakPolarHBondContact O-CB 3.49Å; L585-A589 PolarHBondContact O-N 2.98Å; L585-L594 HydrophobicContact CD2-CD2 4.35Å; L585-L594 HydrophobicContact CG-CD2 3.94Å; L585-V597 HydrophobicContact CD2-CG1 4.4Å
586S91.8Very high91.1Very high0 Ų066.4 Ų66.40%035%0.353CS..Hα-helixtrans-62.3-2417975.30000114.4K555 Q559 Y582 L583 A584K555-S586 WeakPolarHBondContact CE-O 3.5Å; K555-S586 PolarHBondContact NZ-O 2.95Å; K555-S586 VanDerWaalsContact NZ-O 3.08Å; Q559-S586 WeakPolarHBondContact CG-OG 3.33Å; Q559-S586 PolarHBondContact NE2-O 2.95Å; Q559-S586 PolarHBondContact NE2-OG 3.28Å; Y582-S586 VanDerWaalsContact O-CB 3.26Å; Y582-S586 WeakPolarHBondContact O-CB 3.5Å; Y582-S586 PolarHBondContact O-N 3.45Å; Y582-S586 PolarHBondContact O-OG 3.12Å; L583-S586 PolarHBondContact O-OG 3.05Å; A584-S586 PolarHBondContact O-N 2.9Å
587R91.1Very high90.8Very high143 Ų14367.1 Ų67.154%0.5436%0.362SS..Hα-helixtrans-91.8-35.6-178.6-74.3174.8171.8-179-2.1112.9L583 A584 L585L583-R587 WeakPolarHBondContact O-CG 3.09Å; L583-R587 PolarHBondContact O-N 3.07Å; A584-R587 PolarHBondContact O-N 3.25Å; A584-R587 VanDerWaalsContact O-N 3.14Å; L585-R587 PolarHBondContact O-N 2.63Å; L585-R587 VanDerWaalsContact O-N 3.16Å
588I90.1Very high90.5Very high141 Ų14164 Ų6472%0.72335%0.348SS*.Hα-helixtrans-101.3-37.2-168.6-58.9168.3000111.7A584 L585A584-I588 HydrophobicContact CB-CD1 4.45Å; A584-I588 WeakPolarHBondContact O-CB 3.24Å; A584-I588 WeakPolarHBondContact O-CG1 3.35Å; A584-I588 PolarHBondContact O-N 2.9Å; L585-I588 PolarHBondContact O-N 3.22Å
589A87.5Confident90.1Very high16 Ų1667.7 Ų67.713%0.13237%0.368CS..SBendtrans-69.4139.4-176.100000111.6L585 V593 L594L585-A589 HydrophobicContact CD1-CB 3.79Å; L585-A589 HydrophobicContact CG-CB 4.32Å; L585-A589 WeakPolarHBondContact O-CB 3.49Å; L585-A589 PolarHBondContact O-N 2.98Å; A589-V593 HydrophobicContact CB-CB 4.25Å; A589-V593 HydrophobicContact CB-CG1 4.04Å; A589-L594 HydrophobicContact CB-CD2 3.72Å; A589-L594 HydrophobicContact CB-CG 3.85Å
590T88.1Confident89.7Confident82 Ų8272.4 Ų72.450%0.50339%0.39SS..  trans-71.6159.5167.355.90000110.2D592 V593 L594T590-D592 PolarHBondContact O-N 3.37Å; T590-V593 PolarHBondContact O-N 3.07Å; T590-V593 VanDerWaalsContact OG1-CG2 3.31Å; T590-V593 WeakPolarHBondContact OG1-CG2 3.42Å; T590-L594 PolarHBondContact O-N 3.24Å
591D86.1Confident89.3Confident112 Ų11272.5 Ų72.560%0.59939%0.387SS*.Hα-helixtrans-60.1-35.8-178.9-60.8-25.5000111.7V593 L594 A595D591-V593 PolarHBondContact O-N 3.03Å; D591-L594 PolarHBondContact O-N 2.93Å; D591-A595 WeakPolarHBondContact O-CB 3.19Å; D591-A595 PolarHBondContact O-N 3.44Å
592D86.9Confident89Confident132 Ų13272 Ų7271%0.70639%0.392SS*.Hα-helixtrans-62.2-39.5174.6-58.2-37.5000112.8T590 T596T590-D592 PolarHBondContact O-N 3.37Å; D592-T596 PolarHBondContact O-N 3.45Å; D592-T596 VanDerWaalsContact O-N 3.14Å; D592-T596 PolarHBondContact O-OG1 2.94Å
593V89.5Confident88.5Confident67 Ų6774.4 Ų74.441%0.40641%0.414SS..Hα-helixtrans-71.2-39.9177.8172.30000110.1A589 T590 D591 T596 V597A589-V593 HydrophobicContact CB-CB 4.25Å; A589-V593 HydrophobicContact CB-CG1 4.04Å; T590-V593 PolarHBondContact O-N 3.07Å; T590-V593 VanDerWaalsContact OG1-CG2 3.31Å; T590-V593 WeakPolarHBondContact OG1-CG2 3.42Å; D591-V593 PolarHBondContact O-N 3.03Å; V593-T596 PolarHBondContact O-N 2.82Å; V593-V597 HydrophobicContact CG1-CG2 4.13Å; V593-V597 WeakPolarHBondContact O-CB 3.24Å; V593-V597 VanDerWaalsContact O-CG2 3.3Å; V593-V597 WeakPolarHBondContact O-CG2 3.32Å; V593-V597 PolarHBondContact O-N 3.28Å
594L87.1Confident88Confident3 Ų376.5 Ų76.52%0.01642%0.422CS..Hα-helixtrans-62-45.3175.3-69.8178.9000111.5M545 I548 L585 A589 T590 D591 T596 V597 L598M545-L594 HydrophobicContact CE-CD2 3.43Å; M545-L594 VanDerWaalsContact CE-CD2 3.43Å; I548-L594 HydrophobicContact CG2-CD1 4.25Å; L585-L594 HydrophobicContact CD2-CD2 4.35Å; L585-L594 HydrophobicContact CG-CD2 3.94Å; A589-L594 HydrophobicContact CB-CD2 3.72Å; A589-L594 HydrophobicContact CB-CG 3.85Å; T590-L594 PolarHBondContact O-N 3.24Å; D591-L594 PolarHBondContact O-N 2.93Å; L594-T596 VanDerWaalsContact C-N 3.25Å; L594-T596 PolarHBondContact O-N 3.36Å; L594-V597 PolarHBondContact O-N 3.07Å; L594-L598 HydrophobicContact CB-CD1 4.45Å; L594-L598 HydrophobicContact CD2-CD1 4.1Å; L594-L598 VanDerWaalsContact O-CB 3.23Å; L594-L598 WeakPolarHBondContact O-CB 3.26Å; L594-L598 PolarHBondContact O-N 3.31Å
595A86.5Confident87.3Confident49 Ų4978.5 Ų78.541%0.40543%0.432SS..Hα-helixtrans-58.7-39.317700000111.9N549 D591 E599N549-A595 VanDerWaalsContact OD1-CA 3.3Å; N549-A595 WeakPolarHBondContact OD1-CA 3.04Å; N549-A595 PolarHBondContact OD1-N 3.02Å; D591-A595 WeakPolarHBondContact O-CB 3.19Å; D591-A595 PolarHBondContact O-N 3.44Å; A595-E599 PolarHBondContact O-N 2.84Å
596T88.1Confident85.8Confident102 Ų10284.8 Ų84.863%0.62646%0.46SS*.Hα-helixtrans-72.8-45.7178.8-50.70000112.4D592 V593 L594 L598D592-T596 PolarHBondContact O-N 3.45Å; D592-T596 VanDerWaalsContact O-N 3.14Å; D592-T596 PolarHBondContact O-OG1 2.94Å; V593-T596 PolarHBondContact O-N 2.82Å; L594-T596 VanDerWaalsContact C-N 3.25Å; L594-T596 PolarHBondContact O-N 3.36Å; T596-L598 VanDerWaalsContact C-N 3.35Å
597V87.6Confident84.2Confident91 Ų9193.1 Ų93.155%0.55249%0.491SS*.Hα-helixtrans-75.6-26.7-175.6174.40000112L585 V593 L594L585-V597 HydrophobicContact CD2-CG1 4.4Å; V593-V597 HydrophobicContact CG1-CG2 4.13Å; V593-V597 WeakPolarHBondContact O-CB 3.24Å; V593-V597 VanDerWaalsContact O-CG2 3.3Å; V593-V597 WeakPolarHBondContact O-CG2 3.32Å; V593-V597 PolarHBondContact O-N 3.28Å; L594-V597 PolarHBondContact O-N 3.07Å
598L89.3Confident82.6Confident18 Ų1895.4 Ų95.49%0.09451%0.508CS..THydrogen-bonded Turntrans-111.521.4-176.7-57167.2000112.2M545 K546 N549 L594 T596M545-L598 HydrophobicContact CE-CD1 3.77Å; M545-L598 HydrophobicContact CG-CD1 3.84Å; M545-L598 HydrophobicContact CG-CD2 3.86Å; K546-L598 HydrophobicContact CD-CB 4.29Å; K546-L598 WeakPolarHBondContact CE-O 3.32Å; K546-L598 PolarHBondContact NZ-O 3.34Å; N549-L598 HydrophobicContact CB-CB 4.02Å; N549-L598 HydrophobicContact CB-CD1 3.83Å; L594-L598 HydrophobicContact CB-CD1 4.45Å; L594-L598 HydrophobicContact CD2-CD1 4.1Å; L594-L598 VanDerWaalsContact O-CB 3.23Å; L594-L598 WeakPolarHBondContact O-CB 3.26Å; L594-L598 PolarHBondContact O-N 3.31Å; T596-L598 VanDerWaalsContact C-N 3.35Å
599E87.2Confident81Confident142 Ų14289.4 Ų89.466%0.66448%0.478SS*.PPolyproline II helixtrans-51.1149.5174.2-171174.8-169.800111K546 A595 M601K546-E599 PolarHBondContact NZ-O 3.25Å; A595-E599 PolarHBondContact O-N 2.84Å; E599-M601 PolarHBondContact O-N 3.47Å
600E85Confident79.8Confident100 Ų10091.2 Ų91.247%0.46749%0.49SS..PPolyproline II helixtrans-52.2139.5177.1-68.7-176.4-166.400111.1E505E505-E600 WeakPolarHBondContact OE2-CA 3.47Å
601M85.8Confident78.5Confident71 Ų7187.4 Ų87.435%0.3547%0.466SS..PPolyproline II helixtrans-57.7127.7-179.4-170.173.14900110I469 Y501 E505 E599 F604I469-M601 HydrophobicContact CD1-CB 4.04Å; I469-M601 HydrophobicContact CD1-CG 4.16Å; I469-M601 HydrophobicContact CG2-CB 4.43Å; Y501-M601 VanDerWaalsContact OH-CE 3.23Å; Y501-M601 WeakPolarHBondContact OH-CE 3.31Å; E505-M601 PolarHBondContact OE2-N 3.03Å; E599-M601 PolarHBondContact O-N 3.47Å; M601-F604 HydrophobicContact CG-CE2 4.27Å; M601-F604 HydrophobicContact CG-CZ 4.29Å
602P87.3Confident77.1Confident93 Ų9385.3 Ų85.360%0.60446%0.455SS*.PPolyproline II helixtrans-63.6153.3179.326-34.5000110.9F604P602-F604 PolarHBondContact O-N 3.2Å
603P84.7Confident75.4Confident98 Ų9882 Ų8264%0.63645%0.445SS*.PPolyproline II helixtrans-53.1132.8176.6-26.534.3000111.8N470N470-P603 WeakPolarHBondContact OD1-CA 3.34Å
604F83.1Confident73.7Confident57 Ų5782.4 Ų82.425%0.2544%0.442CS..PPolyproline II helixtrans-67.2140.2175.4-71.6-90000110Q466 I469 N470 M601 P602 E606Q466-F604 HydrophobicContact CB-CD2 4.09Å; Q466-F604 HydrophobicContact CB-CG 4.35Å; Q466-F604 HydrophobicContact CG-CB 4.37Å; Q466-F604 HydrophobicContact CG-CD1 4.1Å; Q466-F604 HydrophobicContact CG-CD2 3.8Å; Q466-F604 HydrophobicContact CG-CE1 4.35Å; Q466-F604 HydrophobicContact CG-CE2 4.07Å; Q466-F604 HydrophobicContact CG-CG 3.82Å; Q466-F604 HydrophobicContact CG-CZ 4.34Å; I469-F604 HydrophobicContact CB-CD2 4.36Å; I469-F604 HydrophobicContact CB-CE2 4.28Å; I469-F604 HydrophobicContact CD1-CE2 3.7Å; I469-F604 HydrophobicContact CG2-CD2 4.13Å; I469-F604 HydrophobicContact CG2-CE2 4.17Å; N470-F604 PolarHBondContact ND2-O 2.88Å; N470-F604 PolarHBondContact OD1-N 2.97Å; M601-F604 HydrophobicContact CG-CE2 4.27Å; M601-F604 HydrophobicContact CG-CZ 4.29Å; P602-F604 PolarHBondContact O-N 3.2Å; F604-E606 PolarHBondContact O-N 3.46Å
605P77.8Confident71.9Confident83 Ų8382.9 Ų82.954%0.53945%0.445SS..PPolyproline II helixtrans-58.8142.5171.624.2-32.6000110R607P605-R607 PolarHBondContact O-N 3.31Å
606E62.2Low70.3Confident180 Ų18087.8 Ų87.884%0.84146%0.457SS*.  trans-62.397.9178.1-66.5-168.516600110.2F604F604-E606 PolarHBondContact O-N 3.46Å
607R58.2Low68.3Low175 Ų17585.3 Ų85.366%0.6645%0.447SS*.  trans-104.1144.7171.2-61.8-172.9-158.51706.7109.8P605P605-R607 PolarHBondContact O-N 3.31Å
608H55.8Low66.5Low192 Ų19285.7 Ų85.789%0.88944%0.441SS*.  trans-58142.1165.9-6582.6000109.9S610H608-S610 PolarHBondContact O-N 3.47Å
609S57.5Low64.3Low15 Ų1587.6 Ų87.611%0.10545%0.451CS..  trans-62.9124.4-172.4-30.60000111.4E432 I611 L612E432-S609 VanDerWaalsContact CD-OG 3.31Å; E432-S609 WeakPolarHBondContact OE1-CB 3.49Å; E432-S609 PolarHBondContact OE1-OG 3.43Å; S609-I611 PolarHBondContact O-N 3.28Å; S609-L612 WeakPolarHBondContact O-CB 3.36Å; S609-L612 PolarHBondContact O-N 2.92Å; S609-L612 VanDerWaalsContact O-N 3.16Å
610S63Low61.7Low54 Ų5483 Ų8338%0.37843%0.433SS..Hα-helixtrans-57.5-29.6172.150.10000112.2H608 L612 A613 K614H608-S610 PolarHBondContact O-N 3.47Å; S610-L612 PolarHBondContact O-N 3.34Å; S610-A613 WeakPolarHBondContact O-CB 3.31Å; S610-A613 PolarHBondContact O-N 2.93Å; S610-A613 VanDerWaalsContact O-N 3.15Å; S610-K614 PolarHBondContact O-N 3.08Å
611I59.7Low59.3Low1 Ų185.1 Ų85.11%0.00545%0.448CS..Hα-helixtrans-62.4-41.9178.4-50.4178.1000111.5L425 I429 E459 V460 R463 S609 A613 K614 L615L425-I611 HydrophobicContact CD1-CG2 3.36Å; I429-I611 HydrophobicContact CD1-CG2 4.02Å; I429-I611 HydrophobicContact CG1-CB 4.34Å; I429-I611 HydrophobicContact CG1-CG2 3.49Å; I429-I611 VanDerWaalsContact CG1-CG2 3.49Å; E459-I611 HydrophobicContact CB-CG1 4.39Å; V460-I611 HydrophobicContact CG2-CD1 4.22Å; R463-I611 HydrophobicContact CB-CD1 3.98Å; R463-I611 HydrophobicContact CG-CD1 4.07Å; S609-I611 PolarHBondContact O-N 3.28Å; I611-A613 VanDerWaalsContact C-N 3.29Å; I611-A613 PolarHBondContact O-N 3.08Å; I611-K614 PolarHBondContact O-N 3.05Å; I611-L615 PolarHBondContact O-N 3.41Å
612L56.6Low56.9Low68 Ų6885.9 Ų85.936%0.35646%0.457SS..Hα-helixtrans-63.1-35.7175.5-95.1147.9000111.6I429 S609 S610 L615 K616I429-L612 HydrophobicContact CG2-CD2 4.34Å; I429-L612 HydrophobicContact CG2-CG 4.3Å; S609-L612 WeakPolarHBondContact O-CB 3.36Å; S609-L612 PolarHBondContact O-N 2.92Å; S609-L612 VanDerWaalsContact O-N 3.16Å; S610-L612 PolarHBondContact O-N 3.34Å; L612-L615 PolarHBondContact O-N 3.04Å; L612-K616 WeakPolarHBondContact O-CG 3.39Å; L612-K616 PolarHBondContact O-N 2.97Å
613A51Low54.1Low62 Ų6287.6 Ų87.651%0.51246%0.461SS..Hα-helixtrans-65-38.4176.600000112.2S610 I611 K616 A617S610-A613 WeakPolarHBondContact O-CB 3.31Å; S610-A613 PolarHBondContact O-N 2.93Å; S610-A613 VanDerWaalsContact O-N 3.15Å; I611-A613 VanDerWaalsContact C-N 3.29Å; I611-A613 PolarHBondContact O-N 3.08Å; A613-K616 PolarHBondContact O-N 3.33Å; A613-A617 PolarHBondContact O-N 3.27Å; A613-A617 VanDerWaalsContact O-N 3.07Å
614K53.8Low51.4Low77 Ų7784.3 Ų84.334%0.33545%0.445SS..Hα-helixtrans-67-37.5175.1-85.6-167.6-178.6151.10114E459 S610 I611 K616 A617 K618E459-K614 VanDerWaalsContact CD-CE 3.46Å; E459-K614 WeakPolarHBondContact OE1-CE 3.29Å; E459-K614 IonicContact OE1-NZ 3.64Å; E459-K614 PolarHBondContact OE1-NZ 2.85Å; E459-K614 WeakPolarHBondContact OE2-CD 3.26Å; E459-K614 WeakPolarHBondContact OE2-CE 3.47Å; E459-K614 IonicContact OE2-NZ 3.08Å; E459-K614 PolarHBondContact OE2-NZ 3.43Å; S610-K614 PolarHBondContact O-N 3.08Å; I611-K614 PolarHBondContact O-N 3.05Å; K614-K616 VanDerWaalsContact C-N 3.34Å; K614-A617 WeakPolarHBondContact O-CB 3.46Å; K614-A617 PolarHBondContact O-N 3.02Å; K614-K618 PolarHBondContact O-N 3.3Å
615L50.7Low48.7Very low13 Ų1387.4 Ų87.47%0.06847%0.468CS..Hα-helixtrans-65.2-42176.6-172.5123.2000110.9Y393 L425 K426 I429 I611 L612 A617 K618 N619Y393-L615 HydrophobicContact CE1-CD2 4.32Å; Y393-L615 HydrophobicContact CE2-CD1 4.47Å; L425-L615 HydrophobicContact CD2-CB 4.12Å; L425-L615 HydrophobicContact CD2-CD1 4.29Å; L425-L615 HydrophobicContact CG-CD1 4.41Å; K426-L615 HydrophobicContact CG-CD1 3.98Å; I429-L615 HydrophobicContact CD1-CB 3.62Å; I429-L615 HydrophobicContact CD1-CD1 3.62Å; I429-L615 HydrophobicContact CD1-CG 4.13Å; I611-L615 PolarHBondContact O-N 3.41Å; L612-L615 PolarHBondContact O-N 3.04Å; L615-A617 PolarHBondContact O-N 2.96Å; L615-K618 PolarHBondContact O-N 3.07Å; L615-K618 VanDerWaalsContact O-N 3.08Å; L615-N619 PolarHBondContact O-N 3.24Å
616K51.3Low46.2Very low151 Ų15191.2 Ų91.266%0.65748%0.483SS*.Hα-helixtrans-58.7-35.4172.4-70.6-177.4178.8-173.90112.3L612 A613 K614L612-K616 WeakPolarHBondContact O-CG 3.39Å; L612-K616 PolarHBondContact O-N 2.97Å; A613-K616 PolarHBondContact O-N 3.33Å; K614-K616 VanDerWaalsContact C-N 3.34Å
617A47.6Very low44.4Very low51 Ų5187 Ų8742%0.42147%0.473SS..Hα-helixtrans-69.6-34.7174.600000113.3A613 K614 L615A613-A617 PolarHBondContact O-N 3.27Å; A613-A617 VanDerWaalsContact O-N 3.07Å; K614-A617 WeakPolarHBondContact O-CB 3.46Å; K614-A617 PolarHBondContact O-N 3.02Å; L615-A617 PolarHBondContact O-N 2.96Å
618K49.6Very low42.7Very low99 Ų9987.4 Ų87.443%0.4348%0.48SS..Hα-helixtrans-82.5-39.2-178.2-77.7-172.3173.4-1740114.4E421 L425 K614 L615E421-K618 VanDerWaalsContact CD-NZ 3.34Å; E421-K618 IonicContact OE1-NZ 2.72Å; E421-K618 PolarHBondContact OE1-NZ 3.46Å; L425-K618 HydrophobicContact CD2-CD 4.28Å; K614-K618 PolarHBondContact O-N 3.3Å; L615-K618 PolarHBondContact O-N 3.07Å; L615-K618 VanDerWaalsContact O-N 3.08Å
619N42.8Very low41.1Very low58 Ų5883.2 Ų83.231%0.3147%0.472SS..  trans-131.585.4-173.5-80-19.6000113.1L615 N621 T622L615-N619 PolarHBondContact O-N 3.24Å; N619-N621 VanDerWaalsContact C-N 3.25Å; N619-N621 PolarHBondContact O-N 2.98Å; N619-T622 PolarHBondContact O-OG1 2.92Å
620P33.4Very low39.4Very low44 Ų4490.3 Ų90.329%0.28650%0.503SS..THydrogen-bonded Turntrans-73.1-8.9-178.930.8-38.3000115.5T622P620-T622 VanDerWaalsContact C-N 3.26Å; P620-T622 PolarHBondContact O-N 3.38Å
621N33.5Very low37.5Very low146 Ų14693.6 Ų93.678%0.78152%0.522SS*.THydrogen-bonded Turntrans-857179.4-74.912.2000113.6N619 D623N619-N621 VanDerWaalsContact C-N 3.25Å; N619-N621 PolarHBondContact O-N 2.98Å; N621-D623 VanDerWaalsContact C-N 3.25Å; N621-D623 PolarHBondContact O-N 3.42Å
622T35.3Very low35.9Very low86 Ų86100.4 Ų100.453%0.52856%0.563SS.*  trans-91.526.8173.238.70000113.3N619 P620 G624N619-T622 PolarHBondContact O-OG1 2.92Å; P620-T622 VanDerWaalsContact C-N 3.26Å; P620-T622 PolarHBondContact O-N 3.38Å; T622-G624 PolarHBondContact O-N 3.33Å
623D28.1Very low34.3Very low130 Ų130100 Ų10070%0.69558%0.576SS**  trans-75.578.4163.5-107.6-14.7000109.6N621N621-D623 VanDerWaalsContact C-N 3.25Å; N621-D623 PolarHBondContact O-N 3.42Å
624G28.4Very low32.9Very low29 Ų29106.2 Ų106.230%0.29959%0.594SS.*  trans-99.3103.8148.900000105.9T622 I626T622-G624 PolarHBondContact O-N 3.33Å; G624-I626 PolarHBondContact O-N 2.78Å
625T26.5Very low31.4Very low121 Ų121107.8 Ų107.874%0.74262%0.615SS**  trans-24101.4175.743.20000113.6S627T625-S627 PolarHBondContact O-N 3.01Å
626I26.3Very low30Very low163 Ų163118.5 Ų118.584%0.83666%0.656SS**  trans-71.281.6157.1-58.7172.1000104.7G624 K628G624-I626 PolarHBondContact O-N 2.78Å; I626-K628 PolarHBondContact O-N 2.93Å; I626-K628 VanDerWaalsContact O-N 3.11Å
627S23.2Very low28.7Very low92 Ų92115.7 Ų115.764%0.64366%0.661SS**  trans-55.7117.4169.6-67.40000107.1T625 S629T625-S627 PolarHBondContact O-N 3.01Å; S627-S629 VanDerWaalsContact C-N 3.27Å; S627-S629 PolarHBondContact O-N 3.3Å
628K23Very low27.6Very low184 Ų184121.4 Ų121.480%0.868%0.683SS**  trans-57.894.4166-70.2-179.9174.3-174.80107.3I626 E630I626-K628 PolarHBondContact O-N 2.93Å; I626-K628 VanDerWaalsContact O-N 3.11Å; K628-E630 PolarHBondContact O-N 2.98Å; K628-E630 VanDerWaalsContact O-N 3.09Å
629S21.5Very low26.3Very low103 Ų103124.4 Ų124.472%0.7270%0.704SS**  trans-79.582.9166.4-174.60000107.2S627 T631S627-S629 VanDerWaalsContact C-N 3.27Å; S627-S629 PolarHBondContact O-N 3.3Å; S629-T631 VanDerWaalsContact C-N 3.35Å; S629-T631 PolarHBondContact O-N 2.94Å
630E22.6Very low25.5Very low164 Ų164127.6 Ų127.677%0.76673%0.731SS**  trans-78.785.3162.8-76177.3-179.900108K628K628-E630 PolarHBondContact O-N 2.98Å; K628-E630 VanDerWaalsContact O-N 3.09Å
631T23.1Very low25.2Very low124 Ų124129.4 Ų129.476%0.76175%0.75SS**  trans-15770.4158.644.50000109S629S629-T631 VanDerWaalsContact C-N 3.35Å; S629-T631 PolarHBondContact O-N 2.94Å
632V25.3Very low24.7Very low143 Ų143129.6 Ų129.687%0.86775%0.75SS**  trans-88.1120.3162.1176.80000106.7E634V632-E634 PolarHBondContact O-N 2.64Å
633G22.3Very low24.3Very low61 Ų61132.9 Ų132.963%0.62976%0.763SS**  trans-54.2125.9-171.100000114S635G633-S635 PolarHBondContact O-N 3.31Å; G633-S635 PolarHBondContact O-OG 2.59Å
634E23.3Very low24Very low191 Ų191134.6 Ų134.689%0.89377%0.772SS**  trans-60102.9162.5-69.3176.5155.700108.7V632V632-E634 PolarHBondContact O-N 2.64Å
635S21.8Very low24.1Very low111 Ų111140.9 Ų140.978%0.77679%0.794SS**  trans-93.1117.4171-36.60000107.5G633 A637G633-S635 PolarHBondContact O-N 3.31Å; G633-S635 PolarHBondContact O-OG 2.59Å; S635-A637 PolarHBondContact O-N 3Å
636Y20.4Very low23.9Very low238 Ų238142 Ų14293%0.93380%0.795SS**  trans-49.3116.7173.2-67.6-97.9000111.9
637A25.5Very low24Very low92 Ų92140.5 Ų140.576%0.7679%0.789SS**  trans-136.8103162.400000110S635S635-A637 PolarHBondContact O-N 3Å
638L24.6Very low24Very low170 Ų170142.9 Ų142.989%0.8979%0.794SS**  trans15121.1159.8-7699.8000120.5S640L638-S640 PolarHBondContact O-N 3.01Å
639N21.4Very low24.4Very low163 Ų163142.1 Ų142.187%0.87279%0.793SS**  trans-33.9121.4147.4-68.4-35.2000113.6
640S27Very low24.4Very low125 Ų125144.5 Ų144.587%0.87480%0.798SS**  trans-126.8119.6144.5-84.70000108.2L638L638-S640 PolarHBondContact O-N 3.01Å
641A25.5Very low24.7Very low82 Ų82142 Ų14268%0.67879%0.793SS**  trans-77.7150.9-177.800000111.5
642N22.7Very low24.9Very low149 Ų149142.7 Ų142.780%0.79779%0.793SS**  trans62.3118.7151-60.1-15.6000117.9
643I28.6Very low25.1Very low156 Ų156147.8 Ų147.880%0.880%0.796SS**  -170.3114.2111.5-85.6145.8000106.7H645I643-H645 PolarHBondContact O-N 2.8Å
644D22.2Very low25.3Very low165 Ų165153.8 Ų153.888%0.88281%0.808SS**  trans-62.7124.9162.2-73.7-47.8000108.8
645H29.3Very low25.5Very low162 Ų162148.8 Ų148.875%0.7580%0.799SS**  trans-137.397.3156.1-136-46.9000109.5I643 N647I643-H645 PolarHBondContact O-N 2.8Å; H645-N647 PolarHBondContact O-N 2.92Å
646D23.2Very low25.8Very low143 Ų143151.2 Ų151.277%0.76580%0.804SS**  trans-52.5122.9160.4-158.34.6000108.7
647N28.4Very low26Very low132 Ų132147.3 Ų147.371%0.70680%0.798SS**  trans-151.492.6165.4-101.3-17.3000109.6H645 H649H645-N647 PolarHBondContact O-N 2.92Å; N647-H649 PolarHBondContact O-N 2.99Å
648N23.5Very low26Very low143 Ų143150 Ų15077%0.76580%0.799SS**  trans-60.2103.4167.6-156.76000109.7
649H29.8Very low25.9Very low168 Ų168149.3 Ų149.378%0.77880%0.796SS**  trans-127.297.5167.8-98.4-63000110.2N647N647-H649 PolarHBondContact O-N 2.99Å
650D23.1Very low26.1Very low153 Ų153150.6 Ų150.682%0.81879%0.794SS**  trans-94.189.7176.8-165.913.1000108.1
651V28.1Very low25.8Very low110 Ų110148 Ų14867%0.66779%0.786SS**  trans-151.2132.9173.3-179.20000111.3
652N28.1Very low25.7Very low140 Ų140151.4 Ų151.475%0.74979%0.793SS**  trans85.180.5165.2-68-12.3000119E654N652-E654 PolarHBondContact O-N 3.48Å
653R28.1Very low25.8Very low250 Ų250149.6 Ų149.694%0.94379%0.79SS**  trans-61.9102.4144.3-69.4168.192160.15.2108.2
654E27.7Very low25.5Very low187 Ų187145.5 Ų145.587%0.87479%0.786SS**  trans-66.8131.7168.9-72.9-176.8156.600110.1N652N652-E654 PolarHBondContact O-N 3.48Å
655A27.7Very low25.6Very low85 Ų85143.9 Ų143.970%0.70278%0.782SS**  trans-72.3127.2-172.700000111.3L657A655-L657 PolarHBondContact O-N 2.99Å
656D26.3Very low25.1Very low163 Ų163141.5 Ų141.587%0.87278%0.779SS**  trans-65107.2174.7-150.1-8.4000109.9
657L25.3Very low25.1Very low156 Ų156145.4 Ų145.482%0.81779%0.785SS**  trans-93.314.6-162.3-96.7167.2000115.6A655A655-L657 PolarHBondContact O-N 2.99Å
658L25.4Very low24.7Very low149 Ų149145 Ų14578%0.7878%0.783SS**  trans-136.459.4-175.8-64.7172.3000113F660L658-F660 PolarHBondContact O-N 2.92Å
659N22.6Very low24.6Very low154 Ų154146.3 Ų146.382%0.82478%0.784SS**  trans-8298.5170-168.811.8000110.6G661N659-G661 PolarHBondContact O-N 3.24Å
660F25.5Very low24.3Very low191 Ų191144.4 Ų144.484%0.83878%0.784SS**  trans-68.6109162.7-81.6-84.5000109L658 N662L658-F660 PolarHBondContact O-N 2.92Å; F660-N662 PolarHBondContact O-N 3.46Å
661G21.8Very low24.2Very low69 Ų69146 Ų14671%0.71179%0.787SS**  trans-56.2122.3-18000000112.8N659N659-G661 PolarHBondContact O-N 3.24Å
662N22.8Very low24Very low154 Ų154146.2 Ų146.282%0.82479%0.793SS**  trans-84.8126.3168.9-154.319.6000108.7F660 G664F660-N662 PolarHBondContact O-N 3.46Å; N662-G664 PolarHBondContact O-N 3.42Å
663P25Very low23.8Very low112 Ų112149.1 Ų149.173%0.72780%0.799SS**  trans-73.9115.9178.328.5-30.1000109.4
664G21.8Very low23.6Very low70 Ų70143 Ų14372%0.72279%0.792SS**  trans-65.2131.7173.400000111.8N662N662-G664 PolarHBondContact O-N 3.42Å
665T23.4Very low23.3Very low130 Ų130141.1 Ų141.180%0.79879%0.787SS**  trans-122.1101.3151.835.70000107.9
666V20Very low23.3Very low113 Ų113141.1 Ų141.169%0.68580%0.796SS**  trans-70.6117.9170.7174.90000107.9N668V666-N668 HydrophobicContact CG1-CB 4.43Å
667Y22.4Very low23.1Very low224 Ų224138.7 Ų138.788%0.87879%0.792SS**  trans-116.1100.9151.4-79-78000107.4
668N20.8Very low23.1Very low125 Ų125137.1 Ų137.167%0.66879%0.794SS**  trans-71.5162.1165.3-97.6-14.2000110.1V666V666-N668 HydrophobicContact CG1-CB 4.43Å
669E21.2Very low23Very low169 Ų169134.8 Ų134.879%0.7979%0.79SS**  trans83.6103.5143.4-87.7175.9-152.300119.1
670V23.8Very low23.2Very low128 Ų128135.1 Ų135.178%0.77679%0.791SS**  158.9132.289.1161.70000110.4
671Q19.9Very low23.1Very low187 Ų187132.6 Ų132.687%0.87479%0.786SS**  trans-68.9140.3170-66.3162.9-13.800112
672S25Very low23.2Very low115 Ų115134.8 Ų134.880%0.80479%0.785SS**  trans-163.810414158.20000111.4
673K22.5Very low23.4Very low200 Ų200134.8 Ų134.887%0.8779%0.785SS**  trans-78.4147.6147.6-86.2-179.4173.8178.20107
674P24.5Very low23.2Very low122 Ų122136.3 Ų136.379%0.79279%0.785SS**  -148.814993.732.6-12.6000116.6
675N22.5Very low23.4Very low147 Ų147141.9 Ų141.979%0.78680%0.795SS**  trans-14.5121154.9-66.9-16.2000117.7
676G26.5Very low23.2Very low86 Ų86138.8 Ų138.889%0.88779%0.789SS**  trans-111.690.9150.300000109.1
677S21.8Very low23.6Very low112 Ų112141.3 Ų141.378%0.78380%0.798SS**  trans-99.6115.7168.853.30000108.7
678S26.5Very low23.6Very low122 Ų122134.2 Ų134.285%0.85379%0.793SS**  trans-138.7119.1167.356.10000110.4
679S22.7Very low23.8Very low100 Ų100136.5 Ų136.570%0.69981%0.805SS**  trans-72.8150.4175.31690000112.8
680L27.3Very low23.9Very low161 Ų161133.2 Ų133.284%0.84381%0.807SS**  trans175.999.4146.8-97143.9000108.4
681L22.7Very low23.9Very low139 Ų139132.1 Ų132.173%0.72880%0.804SS**  55.4102.399.5-71.4173.4000113.8
682V23.2Very low24.1Very low115 Ų115128.8 Ų128.870%0.69780%0.799SS**  71.7105.487.1176.20000113.9
683D27.6Very low24.1Very low154 Ų154130.4 Ų130.482%0.82480%0.799SS**  trans-157.9108.9149.7-102.2-26.4000105.7
684I21.6Very low24.2Very low144 Ų144129.5 Ų129.574%0.73880%0.8SS**  53.285.377.9-58.1-176.5000112.8
685M25.1Very low24.2Very low186 Ų186130.3 Ų130.392%0.91680%0.797SS**  trans179110.2150.2-94.8170.694.900104.7
686G20.7Very low24.2Very low65 Ų65130.8 Ų130.867%0.6780%0.8SS**  90.371.950.400000109.6
687N26.4Very low24Very low166 Ų166134.6 Ų134.689%0.88880%0.799SS**  trans167.4128.2137.4-90.92.7000112.1
688G22.5Very low24.2Very low75 Ų75137.2 Ų137.277%0.77380%0.804SS**  trans-63.4131.2179.600000113.4
689L25.4Very low24Very low173 Ų173141.4 Ų141.491%0.90681%0.809SS**  trans-125.996.4140.7-77.2163.8000104.6S691L689-S691 VanDerWaalsContact C-N 3.28Å; L689-S691 PolarHBondContact O-N 3.13Å
690A23.8Very low24.1Very low101 Ų101140.8 Ų140.884%0.83581%0.81SS**  trans-58.697.6166.600000107P692A690-P692 WeakPolarHBondContact O-CD 3.49Å
691S23.2Very low24.1Very low104 Ų104139.7 Ų139.773%0.72782%0.816SS**  trans-63.1114.7161.850.10000106L689 D693L689-S691 VanDerWaalsContact C-N 3.28Å; L689-S691 PolarHBondContact O-N 3.13Å; S691-D693 PolarHBondContact O-N 3.17Å
692P25.4Very low24.5Very low118 Ų118135.6 Ų135.677%0.76681%0.808SS**  trans-64.9127.7-17627.1-31.7000108.5A690 M694A690-P692 WeakPolarHBondContact O-CD 3.49Å; P692-M694 PolarHBondContact O-N 3.07Å
693D24.6Very low25.5Very low148 Ų148135.8 Ų135.879%0.79181%0.805SS**  trans-49.1107.7173.2-84.5-45.9000110.2S691 N695S691-D693 PolarHBondContact O-N 3.17Å; D693-N695 PolarHBondContact O-N 3.01Å
694M24.4Very low27.1Very low182 Ų182136.6 Ų136.690%0.89780%0.804SS**THydrogen-bonded Turntrans-79.146.7178.5-143.9-88.9-7600110.3P692P692-M694 PolarHBondContact O-N 3.07Å
695N23.8Very low29.4Very low138 Ų138132.1 Ų132.174%0.73878%0.778SS**THydrogen-bonded Turntrans-119.85.8-172.3-95-7.2000115.2D693D693-N695 PolarHBondContact O-N 3.01Å
696N23.7Very low32Very low158 Ų158128 Ų12885%0.84576%0.757SS**SBendtrans-125.523.4-175.1-81-24.3000116.4
697L22.1Very low35.2Very low165 Ų165124.9 Ų124.986%0.86473%0.726SS**SBendtrans-126.2129.1168.2-74162.8000109
698L24.6Very low37.8Very low168 Ų168125.8 Ų125.888%0.8872%0.716SS**  trans105.955.9173.8-52.8163.3000116.2A700L698-A700 PolarHBondContact O-N 3.18Å
699H23.4Very low40.6Very low209 Ų209130.4 Ų130.497%0.96872%0.715SS**  trans-7996.2145.7-94.1-74000108.7
700A25.3Very low43.6Very low87 Ų87125.3 Ų125.372%0.71969%0.687SS**  trans-150129.2165.500000110.1L698 G702L698-A700 PolarHBondContact O-N 3.18Å; A700-G702 PolarHBondContact O-N 3.14Å
701S26.5Very low46.6Very low138 Ų138120.8 Ų120.897%0.96565%0.648SS**  trans-7176.4-167460000115
702G31.9Very low49.6Very low54 Ų54117.4 Ų117.456%0.55762%0.623SS**SBendtrans-127.9129.2159.900000108.9A700 Q704A700-G702 PolarHBondContact O-N 3.14Å; G702-Q704 VanDerWaalsContact C-N 3.28Å; G702-Q704 PolarHBondContact O-N 3.16Å
703D44.5Very low52.6Low118 Ų118115.3 Ų115.363%0.63161%0.606SS**  trans-55.286179.9-110.617.8000110.1Y705 K811D703-Y705 PolarHBondContact O-N 3.34Å; D703-K811 IonicContact OD2-NZ 3.05Å; D703-K811 PolarHBondContact OD2-NZ 3.3Å
704Q60.5Low55.8Low172 Ų172108.3 Ų108.380%0.80457%0.568SS**  trans-81.5107.7175.4-88.1-173.45.600108.2G702 M706G702-Q704 VanDerWaalsContact C-N 3.28Å; G702-Q704 PolarHBondContact O-N 3.16Å; Q704-M706 PolarHBondContact O-N 2.75Å
705Y70.3Confident59Low49 Ų4999.7 Ų99.719%0.19253%0.526CS..  trans-55.1128.9166.9-62.4-76.3000110.7D703 N707 P765 K811 M828D703-Y705 PolarHBondContact O-N 3.34Å; Y705-N707 VanDerWaalsContact C-N 3.28Å; Y705-N707 PolarHBondContact O-N 3.11Å; Y705-P765 WeakPolarHBondContact OH-CG 3.07Å; Y705-K811 HydrophobicContact CE1-CB 4.1Å; Y705-K811 HydrophobicContact CE1-CD 3.99Å; Y705-K811 HydrophobicContact CE1-CG 3.93Å; Y705-M828 HydrophobicContact CD1-CB 4.44Å; Y705-M828 HydrophobicContact CD1-CG 3.37Å; Y705-M828 HydrophobicContact CD2-CG 3.69Å; Y705-M828 HydrophobicContact CD2-SD 3.85Å; Y705-M828 HydrophobicContact CE1-CG 3.9Å; Y705-M828 HydrophobicContact CE2-CG 4.19Å; Y705-M828 HydrophobicContact CG-CG 3.24Å; Y705-M828 HydrophobicContact CG-SD 3.8Å
706M79.1Confident62.1Low100 Ų10094.5 Ų94.549%0.49350%0.499SS..THydrogen-bonded Turntrans-78.4-10.8-172.1-60.8-179.570.800113.9Q704 Y723 Y825 A826 L827Q704-M706 PolarHBondContact O-N 2.75Å; M706-Y723 HydrophobicContact CB-CD2 4.46Å; M706-Y723 HydrophobicContact CB-CE2 4.1Å; M706-Y723 HydrophobicContact CE-CE2 4.11Å; M706-Y723 VanDerWaalsContact CE-OH 3.3Å; M706-Y723 WeakPolarHBondContact CE-OH 3.46Å; M706-Y825 HydrophobicContact CE-CD1 4.12Å; M706-Y825 HydrophobicContact CE-CE1 4.43Å; M706-Y825 HydrophobicContact SD-CD1 3.7Å; M706-A826 PolarHBondContact N-O 2.64Å; M706-L827 HydrophobicContact CB-CD2 4.09Å
707N88.2Confident65.3Low0 Ų094 Ų940%049%0.485CS..THydrogen-bonded Turntrans-12329.4-167.970.7-36.1000114.6Y705 K709 E710 F711 L722 L827 M828Y705-N707 VanDerWaalsContact C-N 3.28Å; Y705-N707 PolarHBondContact O-N 3.11Å; N707-K709 PolarHBondContact O-N 3.3Å; N707-E710 VanDerWaalsContact CA-OE2 3.28Å; N707-E710 WeakPolarHBondContact CA-OE2 3.4Å; N707-E710 HydrophobicContact CB-CB 4.32Å; N707-E710 PolarHBondContact O-N 2.92Å; N707-F711 WeakPolarHBondContact O-CB 3.45Å; N707-F711 PolarHBondContact O-N 3Å; N707-L722 VanDerWaalsContact CB-O 3.27Å; N707-L722 WeakPolarHBondContact CB-O 3.47Å; N707-L722 VanDerWaalsContact ND2-CD1 3.26Å; N707-L722 WeakPolarHBondContact ND2-CD1 3.32Å; N707-L722 WeakPolarHBondContact ND2-CG 3.36Å; N707-L827 HydrophobicContact CB-CD2 3.98Å; N707-L827 WeakPolarHBondContact OD1-CA 3.49Å; N707-M828 PolarHBondContact ND2-N 3.18Å; N707-M828 PolarHBondContact ND2-O 3.03Å; N707-M828 PolarHBondContact OD1-N 3.49Å
708R81Confident68.5Low184 Ų18489.8 Ų89.869%0.69446%0.461SS*.Hα-helixtrans-60.9-32.7-174.3-163.7173.3-175.61712.4113.2M828R708-M828 HydrophobicContact CB-SD 4.46Å; R708-M828 HydrophobicContact CG-SD 4.31Å
709K81.7Confident71.7Confident172 Ų17286.4 Ų86.475%0.74844%0.444SS*.Hα-helixtrans-71.7-47.2176.8-70.4-178.4179.1177.30110.9N707 F711 T712N707-K709 PolarHBondContact O-N 3.3Å; K709-F711 VanDerWaalsContact C-N 3.31Å; K709-F711 PolarHBondContact O-N 3.44Å; K709-T712 PolarHBondContact O-N 3.47Å; K709-T712 PolarHBondContact O-OG1 2.97Å
710E87.2Confident75Confident66 Ų6677.7 Ų77.731%0.30841%0.408SS..Hα-helixtrans-64-37.4179.9-6573.3-165.300111.4N707 T712 N713 F714 L722N707-E710 VanDerWaalsContact CA-OE2 3.28Å; N707-E710 WeakPolarHBondContact CA-OE2 3.4Å; N707-E710 HydrophobicContact CB-CB 4.32Å; N707-E710 PolarHBondContact O-N 2.92Å; E710-T712 VanDerWaalsContact C-N 3.32Å; E710-T712 PolarHBondContact O-N 3.4Å; E710-N713 WeakPolarHBondContact O-CB 3.36Å; E710-N713 PolarHBondContact O-N 3.31Å; E710-N713 VanDerWaalsContact O-N 3.16Å; E710-F714 WeakPolarHBondContact O-CD2 3.36Å; E710-L722 VanDerWaalsContact CB-O 3.29Å; E710-L722 WeakPolarHBondContact CB-O 3.47Å
711F87.7Confident78.3Confident7 Ų776.9 Ų76.93%0.03139%0.391CS..Hα-helixtrans-54.2-45.9174.4174.6-91.3000112.2N707 K709 N713 F714 M828 L829 P830 T832N707-F711 WeakPolarHBondContact O-CB 3.45Å; N707-F711 PolarHBondContact O-N 3Å; K709-F711 VanDerWaalsContact C-N 3.31Å; K709-F711 PolarHBondContact O-N 3.44Å; F711-N713 PolarHBondContact O-N 3.1Å; F711-F714 WeakPolarHBondContact O-CB 3.39Å; F711-F714 PolarHBondContact O-N 3.31Å; F711-M828 HydrophobicContact CB-CB 4.4Å; F711-M828 HydrophobicContact CD1-CE 4.22Å; F711-M828 HydrophobicContact CD2-CB 3.54Å; F711-M828 HydrophobicContact CD2-CE 4.29Å; F711-M828 HydrophobicContact CE1-CE 4.24Å; F711-M828 HydrophobicContact CE2-CB 4.06Å; F711-M828 HydrophobicContact CE2-CE 4.28Å; F711-M828 HydrophobicContact CG-CB 4.15Å; F711-M828 HydrophobicContact CG-CE 4.25Å; F711-M828 HydrophobicContact CG-SD 4.42Å; F711-M828 HydrophobicContact CZ-CE 4.26Å; F711-L829 WeakPolarHBondContact CE2-O 3.38Å; F711-P830 HydrophobicContact CD2-CB 4.32Å; F711-P830 HydrophobicContact CE2-CB 4.44Å; F711-T832 HydrophobicContact CE1-CG2 4.45Å; F711-T832 HydrophobicContact CE2-CG2 4.19Å; F711-T832 HydrophobicContact CZ-CG2 3.57Å
712T86.3Confident81.5Confident33 Ų3370.3 Ų70.320%0.20235%0.345CS..Hα-helixtrans-63-30.3-179.261.10000113.1K709 E710 F714 L715 Q947K709-T712 PolarHBondContact O-N 3.47Å; K709-T712 PolarHBondContact O-OG1 2.97Å; E710-T712 VanDerWaalsContact C-N 3.32Å; E710-T712 PolarHBondContact O-N 3.4Å; T712-F714 PolarHBondContact O-N 2.82Å; T712-L715 WeakPolarHBondContact O-CB 3.47Å; T712-L715 PolarHBondContact O-N 3.29Å; T712-Q947 HydrophobicContact CG2-CB 4.37Å
713N87.7Confident84.5Confident74 Ų7468.8 Ų68.840%0.39632%0.323SS..Hα-helixtrans-62-32.6175.7-67.3-33.3000112.1E710 F711 L715 T716 R717E710-N713 WeakPolarHBondContact O-CB 3.36Å; E710-N713 PolarHBondContact O-N 3.31Å; E710-N713 VanDerWaalsContact O-N 3.16Å; F711-N713 PolarHBondContact O-N 3.1Å; N713-L715 PolarHBondContact O-N 3.16Å; N713-T716 PolarHBondContact O-N 3.48Å; N713-R717 VanDerWaalsContact O-CB 3.31Å; N713-R717 WeakPolarHBondContact O-CB 3.42Å; N713-R717 WeakPolarHBondContact O-CG 3.4Å; N713-R717 PolarHBondContact O-N 2.87Å; N713-R717 VanDerWaalsContact O-N 3.1Å
714F92Very high86.8Confident0 Ų066.5 Ų66.50%031%0.308CS..THydrogen-bonded Turntrans-75-8.5177.9-75.2-85.5000113.5E710 F711 T712 T716 R717 A720 L722 I732 P830 K835E710-F714 WeakPolarHBondContact O-CD2 3.36Å; F711-F714 WeakPolarHBondContact O-CB 3.39Å; F711-F714 PolarHBondContact O-N 3.31Å; T712-F714 PolarHBondContact O-N 2.82Å; F714-T716 PolarHBondContact O-N 3.5Å; F714-R717 CarbonylContact C-O 3.58Å; F714-R717 WeakPolarHBondContact CA-O 3.29Å; F714-A720 HydrophobicContact CD1-CB 4.44Å; F714-A720 HydrophobicContact CE1-CB 3.84Å; F714-A720 HydrophobicContact CE2-CB 3.91Å; F714-A720 HydrophobicContact CZ-CB 3.55Å; F714-A720 WeakPolarHBondContact CZ-O 3.27Å; F714-L722 HydrophobicContact CD2-CD1 4.3Å; F714-L722 HydrophobicContact CE2-CB 4.32Å; F714-L722 HydrophobicContact CE2-CD1 3.83Å; F714-I732 HydrophobicContact CE1-CB 3.64Å; F714-I732 HydrophobicContact CE1-CG2 3.92Å; F714-I732 HydrophobicContact CZ-CB 3.69Å; F714-I732 HydrophobicContact CZ-CD1 4.36Å; F714-I732 HydrophobicContact CZ-CG1 4.33Å; F714-I732 HydrophobicContact CZ-CG2 4.45Å; F714-P830 HydrophobicContact CB-CB 3.24Å; F714-P830 HydrophobicContact CB-CG 3.81Å; F714-P830 HydrophobicContact CD1-CB 4.22Å; F714-P830 HydrophobicContact CD1-CG 3.8Å; F714-P830 HydrophobicContact CD2-CB 4.07Å; F714-P830 HydrophobicContact CD2-CG 3.94Å; F714-P830 HydrophobicContact CE1-CG 4.31Å; F714-P830 HydrophobicContact CE2-CG 4.44Å; F714-P830 HydrophobicContact CG-CB 3.62Å; F714-P830 HydrophobicContact CG-CG 3.59Å; F714-K835 WeakPolarHBondContact O-CE 2.99Å; F714-K835 PolarHBondContact O-NZ 3.48Å
715L90.7Very high88.3Confident1 Ų160.1 Ų60.11%0.00528%0.28CS..THydrogen-bonded Turntrans-67.1-26.7173-61.1177000111.8T712 N713 T832 N834 F883 L944 Q947 L948T712-L715 WeakPolarHBondContact O-CB 3.47Å; T712-L715 PolarHBondContact O-N 3.29Å; N713-L715 PolarHBondContact O-N 3.16Å; L715-T832 HydrophobicContact CD2-CG2 4.03Å; L715-N834 PolarHBondContact O-ND2 3.3Å; L715-N834 VanDerWaalsContact O-ND2 3.12Å; L715-F883 HydrophobicContact CB-CD2 4.3Å; L715-F883 HydrophobicContact CB-CE2 4.28Å; L715-L944 WeakPolarHBondContact CD1-O 3.35Å; L715-L944 HydrophobicContact CD2-CD2 4.02Å; L715-Q947 HydrophobicContact CD1-CB 4.31Å; L715-L948 HydrophobicContact CB-CD1 3.75Å; L715-L948 HydrophobicContact CB-CD2 4.11Å; L715-L948 HydrophobicContact CB-CG 4.22Å; L715-L948 HydrophobicContact CD1-CD1 4.3Å; L715-L948 HydrophobicContact CD1-CD2 4.32Å; L715-L948 HydrophobicContact CD1-CG 4.12Å
716T89.9Confident89.1Confident30 Ų3062.4 Ų62.418%0.18430%0.302CS..THydrogen-bonded Turntrans-116.7-5.8177.456.60000114N713 F714 T879 N882 L948N713-T716 PolarHBondContact O-N 3.48Å; F714-T716 PolarHBondContact O-N 3.5Å; T716-T879 HydrophobicContact CG2-CG2 4.22Å; T716-N882 HydrophobicContact CG2-CB 4.21Å; T716-L948 HydrophobicContact CG2-CD1 3.56Å; T716-L948 HydrophobicContact CG2-CD2 4.02Å; T716-L948 HydrophobicContact CG2-CG 4.39Å
717R90.6Very high89.7Confident146 Ų14659.5 Ų59.555%0.55129%0.289SS*.  trans-121.8150179.9-59.5-176.7-178.6-172.71.1111N713 F714 K835N713-R717 VanDerWaalsContact O-CB 3.31Å; N713-R717 WeakPolarHBondContact O-CB 3.42Å; N713-R717 WeakPolarHBondContact O-CG 3.4Å; N713-R717 PolarHBondContact O-N 2.87Å; N713-R717 VanDerWaalsContact O-N 3.1Å; F714-R717 CarbonylContact C-O 3.58Å; F714-R717 WeakPolarHBondContact CA-O 3.29Å; R717-K835 PolarHBondContact O-NZ 3.34Å; R717-K835 VanDerWaalsContact O-NZ 3.15Å
718H88.6Confident90Very high78 Ų7859.5 Ų59.536%0.36129%0.289SS..SBendtrans-102.5-21.7174.8-66.4-82.4000112.5M734H718-M734 HydrophobicContact CB-CB 4.38Å; H718-M734 WeakPolarHBondContact CB-O 3.3Å; H718-M734 WeakPolarHBondContact O-CB 3.31Å; H718-M734 PolarHBondContact O-N 2.98Å
719N92.6Very high90.8Very high97 Ų9755.5 Ų55.552%0.51927%0.274SS..EExtended strand (participates in β ladder)trans-128.8115.9-177.9-57.8-34.7000109.4I732 R733 M734N719-I732 WeakPolarHBondContact CA-O 3.42Å; N719-R733 HydrophobicContact CB-CG 4.37Å; N719-R733 WeakPolarHBondContact OD1-CA 3.35Å; N719-R733 VanDerWaalsContact OD1-CB 3.24Å; N719-R733 WeakPolarHBondContact OD1-CB 3.26Å; N719-R733 WeakPolarHBondContact OD1-CG 3.49Å; N719-M734 PolarHBondContact OD1-N 3.5Å
720A92.5Very high91.5Very high25 Ų2547.3 Ų47.321%0.20724%0.238CC..EExtended strand (participates in β ladder)trans-161.7175176.200000111.6F714 G731 I732F714-A720 HydrophobicContact CD1-CB 4.44Å; F714-A720 HydrophobicContact CE1-CB 3.84Å; F714-A720 HydrophobicContact CE2-CB 3.91Å; F714-A720 HydrophobicContact CZ-CB 3.55Å; F714-A720 WeakPolarHBondContact CZ-O 3.27Å; A720-G731 WeakPolarHBondContact O-CA 3.4Å; A720-I732 PolarHBondContact N-O 3.47Å; A720-I732 VanDerWaalsContact N-O 3.15Å; A720-I732 PolarHBondContact O-N 3.43Å
721I94.3Very high91.9Very high70 Ų7044.8 Ų44.836%0.35923%0.229SC..EExtended strand (participates in β ladder)trans-81.3127.4169.4-62175.1000107.7E724 R729I721-E724 HydrophobicContact CG2-CB 3.98Å; I721-R729 HydrophobicContact CG2-CG 4.3Å
722L93.5Very high92.3Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-83.6-39.8176-172.870.4000111.8N707 E710 F714 I730 I732 L812 L827 M828N707-L722 VanDerWaalsContact CB-O 3.27Å; N707-L722 WeakPolarHBondContact CB-O 3.47Å; N707-L722 VanDerWaalsContact ND2-CD1 3.26Å; N707-L722 WeakPolarHBondContact ND2-CD1 3.32Å; N707-L722 WeakPolarHBondContact ND2-CG 3.36Å; E710-L722 VanDerWaalsContact CB-O 3.29Å; E710-L722 WeakPolarHBondContact CB-O 3.47Å; F714-L722 HydrophobicContact CD2-CD1 4.3Å; F714-L722 HydrophobicContact CE2-CB 4.32Å; F714-L722 HydrophobicContact CE2-CD1 3.83Å; L722-I730 WeakPolarHBondContact CA-O 3.29Å; L722-I730 HydrophobicContact CB-CG2 4.29Å; L722-I730 WeakPolarHBondContact CB-O 3.4Å; L722-I730 HydrophobicContact CD2-CG2 4.14Å; L722-I730 PolarHBondContact N-O 3.34Å; L722-I732 HydrophobicContact CB-CD1 4.24Å; L722-I732 HydrophobicContact CB-CG1 4.26Å; L722-I732 HydrophobicContact CD1-CD1 3.82Å; L722-I732 HydrophobicContact CD2-CD1 3.82Å; L722-I732 HydrophobicContact CD2-CG1 4.36Å; L722-I732 HydrophobicContact CG-CD1 4.16Å; L722-L812 HydrophobicContact CD2-CD2 4.33Å; L722-L827 HydrophobicContact CD2-CB 4.24Å; L722-L827 HydrophobicContact CD2-CD1 4.08Å; L722-M828 WeakPolarHBondContact CD1-O 3.43Å
723Y94.6Very high92.8Very high23 Ų2350.4 Ų50.49%0.0925%0.247CC..EExtended strand (participates in β ladder)trans-160.1142.7-179177.4-106.2000109.8M706 N725 I728 I730 Y825 L827M706-Y723 HydrophobicContact CB-CD2 4.46Å; M706-Y723 HydrophobicContact CB-CE2 4.1Å; M706-Y723 HydrophobicContact CE-CE2 4.11Å; M706-Y723 VanDerWaalsContact CE-OH 3.3Å; M706-Y723 WeakPolarHBondContact CE-OH 3.46Å; Y723-N725 HydrophobicContact CE1-CB 4.41Å; Y723-N725 PolarHBondContact OH-ND2 3.25Å; Y723-I728 HydrophobicContact CD1-CG2 4.33Å; Y723-I728 HydrophobicContact CE1-CG2 4.13Å; Y723-I730 PolarHBondContact N-O 3.42Å; Y723-I730 PolarHBondContact O-N 3.43Å; Y723-Y825 AromaticContact CE1-CD1 3.86Å; Y723-Y825 HydrophobicContact CE1-CD1 3.86Å; Y723-Y825 HydrophobicContact CE1-CD2 4.21Å; Y723-Y825 AromaticContact CE1-CE1 3.98Å; Y723-Y825 HydrophobicContact CE1-CE1 3.98Å; Y723-Y825 HydrophobicContact CE1-CE2 4.27Å; Y723-Y825 HydrophobicContact CE1-CG 4Å; Y723-Y825 AromaticContact CZ-CD1 3.94Å; Y723-Y825 WeakPolarHBondContact OH-CE1 3.32Å; Y723-L827 HydrophobicContact CD1-CD1 4.4Å; Y723-L827 HydrophobicContact CD1-CD2 4.47Å; Y723-L827 HydrophobicContact CD2-CD2 3.96Å; Y723-L827 HydrophobicContact CG-CD1 4.18Å; Y723-L827 HydrophobicContact CG-CD2 3.87Å
724E93.8Very high93.1Very high69 Ų6947.1 Ų47.132%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-148.5136.9175.5178172-178.700111I721 I728 R729 K750I721-E724 HydrophobicContact CG2-CB 3.98Å; E724-I728 WeakPolarHBondContact CA-O 3.27Å; E724-R729 HydrophobicContact CB-CG 4.38Å; E724-R729 VanDerWaalsContact CD-NH2 3.25Å; E724-R729 HydrophobicContact CG-CB 4.23Å; E724-R729 HydrophobicContact CG-CG 4.36Å; E724-R729 IonicContact OE1-CZ 2.8Å; E724-R729 IonicContact OE1-NE 3.1Å; E724-R729 PolarHBondContact OE1-NE 2.83Å; E724-R729 IonicContact OE1-NH2 2.66Å; E724-R729 PolarHBondContact OE1-NH2 2.89Å; E724-R729 IonicContact OE2-CZ 3.33Å; E724-R729 VanDerWaalsContact OE2-CZ 3.32Å; E724-R729 IonicContact OE2-NE 2.71Å; E724-R729 PolarHBondContact OE2-NE 3.45Å; E724-R729 IonicContact OE2-NH2 2.83Å; E724-R729 PolarHBondContact OE2-NH2 2.7Å; E724-K750 IonicContact OE1-NZ 2.68Å; E724-K750 PolarHBondContact OE1-NZ 3.3Å
725N91.3Very high93.2Very high39 Ų3954.3 Ų54.321%0.20926%0.263CS..  trans-136.4-159.8167.268.412.9000111.1Y723 L727 I728 K750 Y825Y723-N725 HydrophobicContact CE1-CB 4.41Å; Y723-N725 PolarHBondContact OH-ND2 3.25Å; N725-L727 VanDerWaalsContact C-N 3.32Å; N725-L727 PolarHBondContact OD1-N 3.32Å; N725-I728 PolarHBondContact N-O 2.93Å; N725-I728 PolarHBondContact OD1-N 2.98Å; N725-I728 PolarHBondContact OD1-O 2.74Å; N725-K750 PolarHBondContact O-NZ 3.43Å; N725-Y825 PolarHBondContact ND2-OH 3.41Å
726S88.4Confident93.2Very high96 Ų9656.7 Ų56.767%0.67128%0.28SS*.SBendtrans-69.5-26.2177.651.40000113.5
727L91.8Very high93.2Very high39 Ų3960 Ų6020%0.20430%0.303CS..SBendtrans-98.9-50-175.1-60.8178.1000112.5N725 K750 F755 Q823N725-L727 VanDerWaalsContact C-N 3.32Å; N725-L727 PolarHBondContact OD1-N 3.32Å; L727-K750 WeakPolarHBondContact O-CA 3.17Å; L727-K750 WeakPolarHBondContact O-CB 3.45Å; L727-K750 PolarHBondContact O-N 3.15Å; L727-F755 HydrophobicContact CB-CZ 4.2Å; L727-F755 WeakPolarHBondContact O-CZ 3.4Å; L727-Q823 HydrophobicContact CD1-CG 4.14Å
728I94.8Very high93.3Very high0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-125.7147.6-171.3-167.5167.1000111.5Y723 E724 N725 I730 G748 F755 F758 Y816 Y825Y723-I728 HydrophobicContact CD1-CG2 4.33Å; Y723-I728 HydrophobicContact CE1-CG2 4.13Å; E724-I728 WeakPolarHBondContact CA-O 3.27Å; N725-I728 PolarHBondContact N-O 2.93Å; N725-I728 PolarHBondContact OD1-N 2.98Å; N725-I728 PolarHBondContact OD1-O 2.74Å; I728-I730 HydrophobicContact CD1-CD1 4.1Å; I728-I730 HydrophobicContact CD1-CG1 3.99Å; I728-I730 HydrophobicContact CG1-CG1 3.99Å; I728-G748 CarbonylContact C-O 3.52Å; I728-G748 WeakPolarHBondContact CA-O 3.31Å; I728-G748 WeakPolarHBondContact CG1-O 3.49Å; I728-F755 HydrophobicContact CB-CE2 3.89Å; I728-F755 HydrophobicContact CB-CZ 4.15Å; I728-F755 HydrophobicContact CD1-CD2 4.46Å; I728-F755 HydrophobicContact CD1-CE2 3.94Å; I728-F755 HydrophobicContact CG1-CE2 3.92Å; I728-F758 HydrophobicContact CD1-CE2 4.01Å; I728-Y816 HydrophobicContact CB-CE1 4.49Å; I728-Y816 HydrophobicContact CD1-CD1 4.44Å; I728-Y816 HydrophobicContact CD1-CE1 3.77Å; I728-Y816 HydrophobicContact CG2-CE1 4.5Å; I728-Y825 HydrophobicContact CG2-CD2 4.27Å; I728-Y825 HydrophobicContact CG2-CE2 3.64Å
729R96.4Very high93.5Very high101 Ų10152.1 Ų52.138%0.38128%0.276SS..EExtended strand (participates in β ladder)trans-123.4126.4165.6177.2-176.9-78.5165.2-2.5109I721 E724 G748 K750I721-R729 HydrophobicContact CG2-CG 4.3Å; E724-R729 HydrophobicContact CB-CG 4.38Å; E724-R729 VanDerWaalsContact CD-NH2 3.25Å; E724-R729 HydrophobicContact CG-CB 4.23Å; E724-R729 HydrophobicContact CG-CG 4.36Å; E724-R729 IonicContact OE1-CZ 2.8Å; E724-R729 IonicContact OE1-NE 3.1Å; E724-R729 PolarHBondContact OE1-NE 2.83Å; E724-R729 IonicContact OE1-NH2 2.66Å; E724-R729 PolarHBondContact OE1-NH2 2.89Å; E724-R729 IonicContact OE2-CZ 3.33Å; E724-R729 VanDerWaalsContact OE2-CZ 3.32Å; E724-R729 IonicContact OE2-NE 2.71Å; E724-R729 PolarHBondContact OE2-NE 3.45Å; E724-R729 IonicContact OE2-NH2 2.83Å; E724-R729 PolarHBondContact OE2-NH2 2.7Å; R729-G748 PolarHBondContact N-O 2.95Å; R729-G748 PolarHBondContact O-N 3.2Å; R729-K750 HydrophobicContact CB-CD 4.07Å
730I96.9Very high93.7Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-114.1117.3177.9-53.9-177.4000108.2L722 Y723 I728 V745 F746 Y747 V814 L827L722-I730 WeakPolarHBondContact CA-O 3.29Å; L722-I730 HydrophobicContact CB-CG2 4.29Å; L722-I730 WeakPolarHBondContact CB-O 3.4Å; L722-I730 HydrophobicContact CD2-CG2 4.14Å; L722-I730 PolarHBondContact N-O 3.34Å; Y723-I730 PolarHBondContact N-O 3.42Å; Y723-I730 PolarHBondContact O-N 3.43Å; I728-I730 HydrophobicContact CD1-CD1 4.1Å; I728-I730 HydrophobicContact CD1-CG1 3.99Å; I728-I730 HydrophobicContact CG1-CG1 3.99Å; I730-V745 HydrophobicContact CG2-CG1 3.9Å; I730-F746 CarbonylContact C-O 3.54Å; I730-F746 VanDerWaalsContact CA-O 3.28Å; I730-F746 WeakPolarHBondContact CA-O 3.28Å; I730-Y747 HydrophobicContact CD1-CD1 4.07Å; I730-Y747 HydrophobicContact CD1-CE1 4.28Å; I730-Y747 HydrophobicContact CG1-CD1 4.01Å; I730-Y747 HydrophobicContact CG2-CD1 4.1Å; I730-Y747 HydrophobicContact CG2-CE1 4.15Å; I730-V814 HydrophobicContact CD1-CG1 4.5Å; I730-V814 HydrophobicContact CD1-CG2 4.02Å; I730-L827 HydrophobicContact CD1-CD1 3.69Å
731G96Very high93.7Very high12 Ų1251.7 Ų51.712%0.12427%0.266CS..EExtended strand (participates in β ladder)trans-110.5155.5175.700000111.9A720 V745 F746A720-G731 WeakPolarHBondContact O-CA 3.4Å; G731-V745 WeakPolarHBondContact O-CA 3.42Å; G731-F746 PolarHBondContact N-O 3.21Å; G731-F746 PolarHBondContact O-N 3Å
732I96.3Very high93.8Very high2 Ų254.9 Ų54.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-124.8137.9170.9-66.5178.2000108.9F714 N719 A720 L722 M734 L743 G744 L829 P830F714-I732 HydrophobicContact CE1-CB 3.64Å; F714-I732 HydrophobicContact CE1-CG2 3.92Å; F714-I732 HydrophobicContact CZ-CB 3.69Å; F714-I732 HydrophobicContact CZ-CD1 4.36Å; F714-I732 HydrophobicContact CZ-CG1 4.33Å; F714-I732 HydrophobicContact CZ-CG2 4.45Å; N719-I732 WeakPolarHBondContact CA-O 3.42Å; A720-I732 PolarHBondContact N-O 3.47Å; A720-I732 VanDerWaalsContact N-O 3.15Å; A720-I732 PolarHBondContact O-N 3.43Å; L722-I732 HydrophobicContact CB-CD1 4.24Å; L722-I732 HydrophobicContact CB-CG1 4.26Å; L722-I732 HydrophobicContact CD1-CD1 3.82Å; L722-I732 HydrophobicContact CD2-CD1 3.82Å; L722-I732 HydrophobicContact CD2-CG1 4.36Å; L722-I732 HydrophobicContact CG-CD1 4.16Å; I732-M734 HydrophobicContact CG2-CB 4.39Å; I732-L743 HydrophobicContact CD1-CD2 4.43Å; I732-L743 HydrophobicContact CG2-CB 4.45Å; I732-L743 HydrophobicContact CG2-CD2 4.1Å; I732-L743 HydrophobicContact CG2-CG 4.35Å; I732-G744 CarbonylContact C-O 3.58Å; I732-G744 WeakPolarHBondContact CA-O 3.43Å; I732-L829 HydrophobicContact CD1-CD2 3.71Å; I732-P830 HydrophobicContact CD1-CG 3.66Å
733R96.3Very high93.9Very high156 Ų15654.9 Ų54.959%0.58927%0.273SS*.EExtended strand (participates in β ladder)trans-116.4134.4158-64.5-176.3178164.3-0.1109.6N719 L743 G744 F746N719-R733 HydrophobicContact CB-CG 4.37Å; N719-R733 WeakPolarHBondContact OD1-CA 3.35Å; N719-R733 VanDerWaalsContact OD1-CB 3.24Å; N719-R733 WeakPolarHBondContact OD1-CB 3.26Å; N719-R733 WeakPolarHBondContact OD1-CG 3.49Å; R733-L743 CarbonylContact O-C 3.48Å; R733-L743 WeakPolarHBondContact O-CA 3.47Å; R733-G744 PolarHBondContact N-O 3.49Å; R733-G744 PolarHBondContact O-N 3.4Å; R733-F746 HydrophobicContact CB-CE2 3.92Å; R733-F746 HydrophobicContact CG-CD2 4.41Å; R733-F746 HydrophobicContact CG-CE2 3.69Å; R733-F746 HydrophobicContact CG-CZ 4.37Å
734M94Very high94Very high5 Ų554.1 Ų54.13%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-129.6136.5-172.5-175.6-172.9-61.800111.3H718 N719 I732 C741 R742 L743 P830 K835H718-M734 HydrophobicContact CB-CB 4.38Å; H718-M734 WeakPolarHBondContact CB-O 3.3Å; H718-M734 WeakPolarHBondContact O-CB 3.31Å; H718-M734 PolarHBondContact O-N 2.98Å; N719-M734 PolarHBondContact OD1-N 3.5Å; I732-M734 HydrophobicContact CG2-CB 4.39Å; M734-C741 WeakPolarHBondContact CG-SG 3.44Å; M734-R742 WeakPolarHBondContact CA-O 3.5Å; M734-L743 HydrophobicContact CB-CG 4.41Å; M734-L743 HydrophobicContact CE-CD1 4.38Å; M734-L743 HydrophobicContact CE-CD2 3.83Å; M734-L743 HydrophobicContact CE-CG 3.97Å; M734-L743 HydrophobicContact CG-CD1 4.29Å; M734-L743 HydrophobicContact CG-CG 4.11Å; M734-P830 HydrophobicContact CE-CB 4.37Å; M734-P830 HydrophobicContact CE-CG 3.91Å; M734-P830 WeakPolarHBondContact CE-O 3.22Å; M734-K835 HydrophobicContact CE-CD 4.46Å; M734-K835 HydrophobicContact CE-CG 4.39Å; M734-K835 HydrophobicContact SD-CB 4.25Å; M734-K835 HydrophobicContact SD-CD 3.47Å; M734-K835 WeakPolarHBondContact SD-CD 3.44Å; M734-K835 WeakPolarHBondContact SD-CE 3.43Å; M734-K835 HydrophobicContact SD-CG 3.62Å
735E93.4Very high94.2Very high151 Ų15150.9 Ų50.971%0.70626%0.258SS*.EExtended strand (participates in β ladder)trans-129.6129.1172.7-67.9176.8179.700108.6C741 R742E735-C741 CarbonylContact O-C 3.53Å; E735-C741 WeakPolarHBondContact O-CA 3.34Å; E735-R742 PolarHBondContact N-O 3.4Å; E735-R742 PolarHBondContact O-N 3.45Å
736S90.3Very high94.5Very high52 Ų5250.1 Ų50.136%0.36425%0.252SS..EExtended strand (participates in β ladder)trans-122.7138177.157.40000111.7F740 K835S736-F740 CarbonylContact C-O 3.55Å; S736-F740 WeakPolarHBondContact CA-O 3.46Å; S736-K835 WeakPolarHBondContact CB-O 3.02Å; S736-K835 PolarHBondContact OG-O 2.89Å
737C91.7Very high94.9Very high100 Ų10045.5 Ų45.568%0.67622%0.221SC*.EExtended strand (participates in β ladder)trans-140.8105179.1-173.90000109.2Q739 F740C737-Q739 PolarHBondContact O-N 2.84Å; C737-F740 PolarHBondContact N-O 3.5Å; C737-F740 PolarHBondContact O-N 3.45Å
738G91.8Very high95.1Very high14 Ų1444 Ų4414%0.14421%0.214CC..THydrogen-bonded Turntrans60.2-121.3-175.800000111.3F740G738-F740 VanDerWaalsContact C-N 3.33Å
739Q93.3Very high95.3Very high43 Ų4344.2 Ų44.220%0.20122%0.215CC..THydrogen-bonded Turntrans-82.2-7177.972.2-157.836.300114.2C737 E801 C802 F836 V905 S907C737-Q739 PolarHBondContact O-N 2.84Å; Q739-E801 HydrophobicContact CG-CG 4.21Å; Q739-E801 PolarHBondContact NE2-OE1 3.42Å; Q739-E801 WeakPolarHBondContact O-CA 3.36Å; Q739-C802 PolarHBondContact O-N 2.94Å; Q739-F836 WeakPolarHBondContact O-CD1 3.19Å; Q739-F836 WeakPolarHBondContact O-CE1 3.46Å; Q739-V905 HydrophobicContact CB-CG1 4.32Å; Q739-S907 VanDerWaalsContact CD-OG 3.25Å; Q739-S907 PolarHBondContact NE2-OG 2.84Å; Q739-S907 VanDerWaalsContact NE2-OG 3.08Å
740F95.9Very high95.2Very high110 Ų11044 Ų4448%0.48222%0.217SC..EExtended strand (participates in β ladder)trans-101.3141.2-176.7-58.9-73000110.9S736 C737 G738 V800 E801S736-F740 CarbonylContact C-O 3.55Å; S736-F740 WeakPolarHBondContact CA-O 3.46Å; C737-F740 PolarHBondContact N-O 3.5Å; C737-F740 PolarHBondContact O-N 3.45Å; G738-F740 VanDerWaalsContact C-N 3.33Å; F740-V800 CarbonylContact C-O 3.52Å; F740-V800 WeakPolarHBondContact CA-O 3.12Å; F740-E801 HydrophobicContact CD1-CB 4.05Å; F740-E801 HydrophobicContact CD1-CG 3.85Å; F740-E801 HydrophobicContact CE1-CB 4.14Å; F740-E801 VanDerWaalsContact CE1-CD 3.48Å; F740-E801 HydrophobicContact CE1-CG 3.61Å; F740-E801 HydrophobicContact CZ-CG 4.48Å
741C94Very high94.9Very high4 Ų444.3 Ų44.33%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-138.7128.4174.7-175.60000109.2M734 E735 L743 V800 F836M734-C741 WeakPolarHBondContact CG-SG 3.44Å; E735-C741 CarbonylContact O-C 3.53Å; E735-C741 WeakPolarHBondContact O-CA 3.34Å; C741-L743 VanDerWaalsContact SG-CD1 3.57Å; C741-V800 HydrophobicContact CB-CB 4.25Å; C741-V800 PolarHBondContact N-O 3.26Å; C741-V800 WeakPolarHBondContact O-CA 3.43Å; C741-V800 WeakPolarHBondContact O-CB 3.49Å; C741-V800 PolarHBondContact O-N 2.95Å; C741-F836 HydrophobicContact CB-CE1 3.61Å; C741-F836 HydrophobicContact CB-CZ 3.82Å
742R95.9Very high94.6Very high136 Ų13648.9 Ų48.951%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-113.3127.2177.5-174.8173.6-176.7178.52.6109.2M734 E735 T797M734-R742 WeakPolarHBondContact CA-O 3.5Å; E735-R742 PolarHBondContact N-O 3.4Å; E735-R742 PolarHBondContact O-N 3.45Å; R742-T797 HydrophobicContact CG-CG2 4Å; R742-T797 VanDerWaalsContact NE-CG2 3.29Å
743L96.1Very high94.5Very high0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-113.1125.4176.2-68.877.4000109.2I732 R733 M734 C741 T797 L798 V800 L829 V831I732-L743 HydrophobicContact CD1-CD2 4.43Å; I732-L743 HydrophobicContact CG2-CB 4.45Å; I732-L743 HydrophobicContact CG2-CD2 4.1Å; I732-L743 HydrophobicContact CG2-CG 4.35Å; R733-L743 CarbonylContact O-C 3.48Å; R733-L743 WeakPolarHBondContact O-CA 3.47Å; M734-L743 HydrophobicContact CB-CG 4.41Å; M734-L743 HydrophobicContact CE-CD1 4.38Å; M734-L743 HydrophobicContact CE-CD2 3.83Å; M734-L743 HydrophobicContact CE-CG 3.97Å; M734-L743 HydrophobicContact CG-CD1 4.29Å; M734-L743 HydrophobicContact CG-CG 4.11Å; C741-L743 VanDerWaalsContact SG-CD1 3.57Å; L743-T797 WeakPolarHBondContact O-CA 3.32Å; L743-L798 HydrophobicContact CB-CB 4.18Å; L743-L798 HydrophobicContact CD2-CD2 4.38Å; L743-L798 PolarHBondContact N-O 2.82Å; L743-L798 PolarHBondContact O-N 3.06Å; L743-V800 HydrophobicContact CD1-CG2 4.01Å; L743-L829 HydrophobicContact CD2-CD2 4.36Å; L743-V831 HydrophobicContact CD1-CG2 4.07Å; L743-V831 HydrophobicContact CD2-CG2 3.76Å
744G96.9Very high94.4Very high8 Ų846.8 Ų46.88%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-90.6112.8160.400000109.3I732 R733 F746I732-G744 CarbonylContact C-O 3.58Å; I732-G744 WeakPolarHBondContact CA-O 3.43Å; R733-G744 PolarHBondContact N-O 3.49Å; R733-G744 PolarHBondContact O-N 3.4Å; G744-F746 VanDerWaalsContact O-CD2 3.24Å; G744-F746 WeakPolarHBondContact O-CD2 3.19Å; G744-F746 VanDerWaalsContact O-CE2 3.27Å; G744-F746 WeakPolarHBondContact O-CE2 3.47Å
745V97.1Very high94.5Very high1 Ų146.5 Ų46.51%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-95.1121.2174.6-171.20000108.5I730 G731 Y747 Q795 Q796 L812I730-V745 HydrophobicContact CG2-CG1 3.9Å; G731-V745 WeakPolarHBondContact O-CA 3.42Å; V745-Y747 HydrophobicContact CB-CE2 4.37Å; V745-Y747 HydrophobicContact CG1-CD1 4.32Å; V745-Y747 HydrophobicContact CG1-CE1 3.63Å; V745-Y747 HydrophobicContact CG1-CE2 4.04Å; V745-Y747 VanDerWaalsContact CG1-CZ 3.48Å; V745-Q795 CarbonylContact O-C 3.53Å; V745-Q795 WeakPolarHBondContact O-CA 3.33Å; V745-Q796 PolarHBondContact N-O 3.08Å; V745-Q796 PolarHBondContact O-N 3.18Å; V745-L812 HydrophobicContact CG1-CD2 4.23Å
746F97.1Very high94.4Very high22 Ų2241.5 Ų41.510%0.09623%0.226CC..EExtended strand (participates in β ladder)trans-109.3113-174.8-64.9-94.9000110I730 G731 R733 G744 Q793 V794 Q795I730-F746 CarbonylContact C-O 3.54Å; I730-F746 VanDerWaalsContact CA-O 3.28Å; I730-F746 WeakPolarHBondContact CA-O 3.28Å; G731-F746 PolarHBondContact N-O 3.21Å; G731-F746 PolarHBondContact O-N 3Å; R733-F746 HydrophobicContact CB-CE2 3.92Å; R733-F746 HydrophobicContact CG-CD2 4.41Å; R733-F746 HydrophobicContact CG-CE2 3.69Å; R733-F746 HydrophobicContact CG-CZ 4.37Å; G744-F746 VanDerWaalsContact O-CD2 3.24Å; G744-F746 WeakPolarHBondContact O-CD2 3.19Å; G744-F746 VanDerWaalsContact O-CE2 3.27Å; G744-F746 WeakPolarHBondContact O-CE2 3.47Å; F746-Q793 HydrophobicContact CB-CG 4.13Å; F746-Q793 HydrophobicContact CD1-CG 4.42Å; F746-V794 CarbonylContact C-O 3.56Å; F746-V794 WeakPolarHBondContact CA-O 3.44Å; F746-Q795 HydrophobicContact CD1-CB 3.84Å; F746-Q795 HydrophobicContact CD1-CG 4.1Å; F746-Q795 HydrophobicContact CE1-CB 3.68Å; F746-Q795 HydrophobicContact CE1-CG 3.67Å; F746-Q795 VanDerWaalsContact CE1-OE1 3.26Å; F746-Q795 HydrophobicContact CE2-CG 4.29Å; F746-Q795 HydrophobicContact CZ-CB 4.31Å; F746-Q795 VanDerWaalsContact CZ-CD 3.43Å; F746-Q795 HydrophobicContact CZ-CG 3.77Å
747Y97.6Very high94.5Very high0 Ų044.4 Ų44.40%024%0.241CC..EExtended strand (participates in β ladder)trans-99.6110.6177.3-51.4-75.9000109.5I730 V745 F758 S760 I788 Q793 V794 Q796 L812 V814I730-Y747 HydrophobicContact CD1-CD1 4.07Å; I730-Y747 HydrophobicContact CD1-CE1 4.28Å; I730-Y747 HydrophobicContact CG1-CD1 4.01Å; I730-Y747 HydrophobicContact CG2-CD1 4.1Å; I730-Y747 HydrophobicContact CG2-CE1 4.15Å; V745-Y747 HydrophobicContact CB-CE2 4.37Å; V745-Y747 HydrophobicContact CG1-CD1 4.32Å; V745-Y747 HydrophobicContact CG1-CE1 3.63Å; V745-Y747 HydrophobicContact CG1-CE2 4.04Å; V745-Y747 VanDerWaalsContact CG1-CZ 3.48Å; Y747-F758 HydrophobicContact CD1-CE1 4.24Å; Y747-F758 HydrophobicContact CD1-CE2 4.48Å; Y747-F758 AromaticContact CD1-CZ 3.53Å; Y747-F758 HydrophobicContact CD1-CZ 3.53Å; Y747-F758 AromaticContact CD2-CE1 3.99Å; Y747-F758 HydrophobicContact CD2-CE1 3.99Å; Y747-F758 AromaticContact CD2-CZ 3.98Å; Y747-F758 HydrophobicContact CD2-CZ 3.98Å; Y747-F758 HydrophobicContact CE1-CE1 4.33Å; Y747-F758 AromaticContact CE1-CZ 3.91Å; Y747-F758 HydrophobicContact CE1-CZ 3.91Å; Y747-F758 HydrophobicContact CE2-CE1 4.08Å; Y747-F758 HydrophobicContact CE2-CZ 4.31Å; Y747-F758 HydrophobicContact CG-CE1 4.06Å; Y747-F758 HydrophobicContact CG-CE2 4.47Å; Y747-F758 AromaticContact CG-CZ 3.56Å; Y747-F758 HydrophobicContact CG-CZ 3.56Å; Y747-S760 VanDerWaalsContact OH-CB 3.25Å; Y747-S760 WeakPolarHBondContact OH-CB 3.45Å; Y747-I788 VanDerWaalsContact CB-CD1 3.49Å; Y747-I788 HydrophobicContact CG-CD1 4.35Å; Y747-Q793 VanDerWaalsContact O-CA 3.29Å; Y747-Q793 WeakPolarHBondContact O-CA 3.46Å; Y747-V794 PolarHBondContact N-O 3.26Å; Y747-V794 PolarHBondContact O-N 2.91Å; Y747-Q796 HydrophobicContact CE2-CB 3.79Å; Y747-Q796 VanDerWaalsContact CE2-OE1 3.23Å; Y747-Q796 PolarHBondContact OH-OE1 3.24Å; Y747-L812 HydrophobicContact CE1-CD2 4.38Å; Y747-V814 HydrophobicContact CE1-CG2 3.95Å
748G96.2Very high94.6Very high7 Ų740 Ų407%0.07221%0.21CC..EExtended strand (participates in β ladder)trans-105.1124.4177.900000111.9I728 R729 T792I728-G748 CarbonylContact C-O 3.52Å; I728-G748 WeakPolarHBondContact CA-O 3.31Å; I728-G748 WeakPolarHBondContact CG1-O 3.49Å; R729-G748 PolarHBondContact N-O 2.95Å; R729-G748 PolarHBondContact O-N 3.2Å; G748-T792 WeakPolarHBondContact CA-O 3.48Å
749N97.3Very high94.7Very high4 Ų441.7 Ų41.72%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-87.9114.2174.3-177.4-6.2000109.9S751 H753 F755 I788 E789 G791 T792N749-S751 WeakPolarHBondContact OD1-CB 3.47Å; N749-S751 PolarHBondContact OD1-N 3Å; N749-S751 PolarHBondContact OD1-O 2.87Å; N749-S751 PolarHBondContact OD1-OG 3.42Å; N749-H753 PolarHBondContact ND2-O 2.97Å; N749-F755 HydrophobicContact CB-CD2 3.98Å; N749-F755 HydrophobicContact CB-CE2 3.74Å; N749-F755 HydrophobicContact CB-CZ 4.09Å; N749-F755 PolarHBondContact ND2-N 3.09Å; N749-F755 WeakPolarHBondContact OD1-CE1 3.5Å; N749-F755 VanDerWaalsContact OD1-CZ 3.25Å; N749-F755 WeakPolarHBondContact OD1-CZ 3.23Å; N749-I788 HydrophobicContact CB-CG2 3.78Å; N749-I788 PolarHBondContact ND2-O 3.13Å; N749-I788 VanDerWaalsContact ND2-O 3.13Å; N749-E789 WeakPolarHBondContact CB-O 3.23Å; N749-E789 PolarHBondContact ND2-O 2.91Å; N749-G791 CarbonylContact O-C 3.58Å; N749-G791 WeakPolarHBondContact O-CA 3.26Å; N749-G791 PolarHBondContact O-N 3.24Å; N749-G791 VanDerWaalsContact O-N 3.11Å; N749-T792 PolarHBondContact N-O 3.11Å
750K95Very high94.7Very high96 Ų9640.2 Ų40.242%0.41721%0.214SC..  trans-95.1-5.3177.9-64.3174.658.9-172.80113E724 N725 L727 R729E724-K750 IonicContact OE1-NZ 2.68Å; E724-K750 PolarHBondContact OE1-NZ 3.3Å; N725-K750 PolarHBondContact O-NZ 3.43Å; L727-K750 WeakPolarHBondContact O-CA 3.17Å; L727-K750 WeakPolarHBondContact O-CB 3.45Å; L727-K750 PolarHBondContact O-N 3.15Å; R729-K750 HydrophobicContact CB-CD 4.07Å
751S90.7Very high94.5Very high7 Ų740.6 Ų40.65%0.04922%0.217CC..SBendtrans-84.2157.8179.580.30000111.2N749 H753 F755N749-S751 WeakPolarHBondContact OD1-CB 3.47Å; N749-S751 PolarHBondContact OD1-N 3Å; N749-S751 PolarHBondContact OD1-O 2.87Å; N749-S751 PolarHBondContact OD1-OG 3.42Å; S751-H753 PolarHBondContact O-N 3.3Å; S751-H753 PolarHBondContact OG-N 2.92Å; S751-H753 PolarHBondContact OG-O 3.31Å; S751-F755 WeakPolarHBondContact OG-CE1 3.3Å
752P90.2Very high94.3Very high108 Ų10842 Ų4270%0.70123%0.225SC*.SBendtrans-75.41174.330.7-32.7000113.4A790P752-A790 VanDerWaalsContact C-CB 3.46Å; P752-A790 WeakPolarHBondContact O-CB 3.44Å
753H93.3Very high93.6Very high73 Ų7338 Ų3834%0.33822%0.216SC..SBendtrans-120149.6-177-59.5107.9000111.2N749 S751 E819N749-H753 PolarHBondContact ND2-O 2.97Å; S751-H753 PolarHBondContact O-N 3.3Å; S751-H753 PolarHBondContact OG-N 2.92Å; S751-H753 PolarHBondContact OG-O 3.31Å; H753-E819 HydrophobicContact CB-CG 3.99Å; H753-E819 IonicContact CE1-OE1 3.27Å; H753-E819 PolarHBondContact CE1-OE1 2.9Å; H753-E819 IonicContact CE1-OE2 2.76Å; H753-E819 IonicContact CG-OE2 3.57Å; H753-E819 WeakPolarHBondContact ND1-CG 3.46Å; H753-E819 IonicContact ND1-OE1 3.73Å; H753-E819 PolarHBondContact ND1-OE1 3.27Å; H753-E819 IonicContact ND1-OE2 2.68Å; H753-E819 PolarHBondContact ND1-OE2 3.04Å; H753-E819 IonicContact NE2-OE1 2.74Å
754P94.3Very high92.6Very high41 Ų4139 Ų3927%0.26622%0.223SC..  trans-69.8145.5177.129.2-34.4000111.3I788P754-I788 WeakPolarHBondContact CA-O 3.39Å
755F96.4Very high90.9Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-83.9118.3165.7-62.5-18.1000108.7L727 I728 N749 S751 F758 R787 I788 Y816 L817 C818L727-F755 HydrophobicContact CB-CZ 4.2Å; L727-F755 WeakPolarHBondContact O-CZ 3.4Å; I728-F755 HydrophobicContact CB-CE2 3.89Å; I728-F755 HydrophobicContact CB-CZ 4.15Å; I728-F755 HydrophobicContact CD1-CD2 4.46Å; I728-F755 HydrophobicContact CD1-CE2 3.94Å; I728-F755 HydrophobicContact CG1-CE2 3.92Å; N749-F755 HydrophobicContact CB-CD2 3.98Å; N749-F755 HydrophobicContact CB-CE2 3.74Å; N749-F755 HydrophobicContact CB-CZ 4.09Å; N749-F755 PolarHBondContact ND2-N 3.09Å; N749-F755 WeakPolarHBondContact OD1-CE1 3.5Å; N749-F755 VanDerWaalsContact OD1-CZ 3.25Å; N749-F755 WeakPolarHBondContact OD1-CZ 3.23Å; S751-F755 WeakPolarHBondContact OG-CE1 3.3Å; F755-F758 HydrophobicContact CB-CD2 4.36Å; F755-F758 HydrophobicContact CD2-CD2 4.39Å; F755-R787 CarbonylContact O-C 3.49Å; F755-R787 VanDerWaalsContact O-CA 3.26Å; F755-R787 WeakPolarHBondContact O-CA 3.49Å; F755-R787 WeakPolarHBondContact O-CG 3Å; F755-I788 HydrophobicContact CB-CB 4.27Å; F755-I788 HydrophobicContact CD2-CB 4.37Å; F755-I788 PolarHBondContact N-O 2.94Å; F755-I788 PolarHBondContact O-N 2.85Å; F755-Y816 HydrophobicContact CB-CD2 3.95Å; F755-Y816 HydrophobicContact CB-CG 4.12Å; F755-Y816 AromaticContact CD1-CD2 3.6Å; F755-Y816 HydrophobicContact CD1-CD2 3.6Å; F755-Y816 AromaticContact CD1-CE2 3.54Å; F755-Y816 HydrophobicContact CD1-CE2 3.54Å; F755-Y816 HydrophobicContact CD1-CG 4.48Å; F755-Y816 HydrophobicContact CD2-CD1 4.38Å; F755-Y816 HydrophobicContact CD2-CD2 4.07Å; F755-Y816 HydrophobicContact CD2-CE1 4.37Å; F755-Y816 HydrophobicContact CD2-CE2 4.07Å; F755-Y816 HydrophobicContact CD2-CG 4.23Å; F755-Y816 HydrophobicContact CE1-CD2 4.05Å; F755-Y816 AromaticContact CE1-CE2 3.48Å; F755-Y816 HydrophobicContact CE1-CE2 3.48Å; F755-Y816 VanDerWaalsContact CE1-CE2 3.48Å; F755-Y816 HydrophobicContact CE2-CD2 4.48Å; F755-Y816 HydrophobicContact CE2-CE1 4.26Å; F755-Y816 HydrophobicContact CE2-CE2 4.01Å; F755-Y816 AromaticContact CE2-CZ 3.89Å; F755-Y816 AromaticContact CG-CD2 3.6Å; F755-Y816 HydrophobicContact CG-CD2 3.6Å; F755-Y816 AromaticContact CG-CE2 3.84Å; F755-Y816 HydrophobicContact CG-CE2 3.84Å; F755-Y816 HydrophobicContact CG-CG 4.04Å; F755-Y816 HydrophobicContact CZ-CD2 4.45Å; F755-Y816 AromaticContact CZ-CE2 3.71Å; F755-Y816 HydrophobicContact CZ-CE2 3.71Å; F755-Y816 AromaticContact CZ-CZ 3.78Å; F755-L817 WeakPolarHBondContact CA-O 3.41Å; F755-C818 HydrophobicContact CD1-CB 3.85Å; F755-C818 HydrophobicContact CE1-CB 3.98Å
756T92Very high89.1Confident46 Ų4645.9 Ų45.928%0.28226%0.261SS..EExtended strand (participates in β ladder)trans-108.5156.6177.658.80000110.5F758 L817T756-F758 PolarHBondContact O-N 3.16Å; T756-L817 PolarHBondContact N-O 3.13Å; T756-L817 PolarHBondContact O-N 3.24Å
757V91.7Very high87.2Confident112 Ų11245.8 Ų45.868%0.67926%0.264SS*.EExtended strand (participates in β ladder)trans54.540.4-176-161.20000110.5C759 D786V757-C759 PolarHBondContact O-N 3.49Å; V757-D786 PolarHBondContact N-O 2.87Å; V757-D786 VanDerWaalsContact N-O 3.15Å
758F94.7Very high85.1Confident9 Ų954.4 Ų54.44%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-68.2128.9177.8-170.2-82.6000108.8I728 Y747 F755 T756 P785 D786 I788 V814 S815 Y816I728-F758 HydrophobicContact CD1-CE2 4.01Å; Y747-F758 HydrophobicContact CD1-CE1 4.24Å; Y747-F758 HydrophobicContact CD1-CE2 4.48Å; Y747-F758 AromaticContact CD1-CZ 3.53Å; Y747-F758 HydrophobicContact CD1-CZ 3.53Å; Y747-F758 AromaticContact CD2-CE1 3.99Å; Y747-F758 HydrophobicContact CD2-CE1 3.99Å; Y747-F758 AromaticContact CD2-CZ 3.98Å; Y747-F758 HydrophobicContact CD2-CZ 3.98Å; Y747-F758 HydrophobicContact CE1-CE1 4.33Å; Y747-F758 AromaticContact CE1-CZ 3.91Å; Y747-F758 HydrophobicContact CE1-CZ 3.91Å; Y747-F758 HydrophobicContact CE2-CE1 4.08Å; Y747-F758 HydrophobicContact CE2-CZ 4.31Å; Y747-F758 HydrophobicContact CG-CE1 4.06Å; Y747-F758 HydrophobicContact CG-CE2 4.47Å; Y747-F758 AromaticContact CG-CZ 3.56Å; Y747-F758 HydrophobicContact CG-CZ 3.56Å; F755-F758 HydrophobicContact CB-CD2 4.36Å; F755-F758 HydrophobicContact CD2-CD2 4.39Å; T756-F758 PolarHBondContact O-N 3.16Å; F758-P785 HydrophobicContact CD1-CG 3.98Å; F758-P785 VanDerWaalsContact CD1-O 3.32Å; F758-P785 WeakPolarHBondContact CD1-O 3.48Å; F758-P785 HydrophobicContact CE1-CG 4.23Å; F758-P785 VanDerWaalsContact O-O 3.11Å; F758-D786 PolarHBondContact N-O 3.39Å; F758-I788 HydrophobicContact CD1-CD1 4.21Å; F758-I788 HydrophobicContact CD2-CD1 3.58Å; F758-I788 HydrophobicContact CD2-CG1 4.15Å; F758-I788 HydrophobicContact CE1-CD1 4.15Å; F758-I788 HydrophobicContact CE2-CD1 3.53Å; F758-I788 HydrophobicContact CG-CD1 3.94Å; F758-I788 HydrophobicContact CG-CG1 4.22Å; F758-I788 HydrophobicContact CZ-CD1 3.83Å; F758-V814 HydrophobicContact CE1-CG1 4.31Å; F758-V814 HydrophobicContact CE2-CG1 3.72Å; F758-V814 HydrophobicContact CZ-CG1 3.48Å; F758-V814 VanDerWaalsContact CZ-CG1 3.48Å; F758-S815 CarbonylContact C-O 3.34Å; F758-S815 WeakPolarHBondContact CA-O 3.37Å; F758-Y816 AromaticContact CD2-CD1 3.96Å; F758-Y816 HydrophobicContact CD2-CD1 3.96Å; F758-Y816 HydrophobicContact CD2-CG 4.15Å; F758-Y816 AromaticContact CE2-CD1 3.94Å; F758-Y816 HydrophobicContact CE2-CD1 3.94Å
759C93.2Very high83.4Confident48 Ų4857.6 Ų57.632%0.32432%0.322SS..EExtended strand (participates in β ladder)trans-139.8132.7-179.6-178.10000109.1V757 V814 S815V757-C759 PolarHBondContact O-N 3.49Å; C759-V814 CarbonylContact O-C 3.59Å; C759-V814 WeakPolarHBondContact O-CA 3.42Å; C759-S815 PolarHBondContact N-O 3.29Å; C759-S815 PolarHBondContact O-N 3.38Å
760S93.5Very high81.5Confident13 Ų1362.6 Ų62.69%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-127.9131.5175.150.70000108.8Y747 Q796 D813Y747-S760 VanDerWaalsContact OH-CB 3.25Å; Y747-S760 WeakPolarHBondContact OH-CB 3.45Å; S760-Q796 PolarHBondContact OG-NE2 3.48Å; S760-Q796 VanDerWaalsContact OG-NE2 3.15Å; S760-Q796 PolarHBondContact OG-OE1 3.31Å; S760-D813 CarbonylContact C-O 3.59Å; S760-D813 VanDerWaalsContact CA-O 3.31Å; S760-D813 WeakPolarHBondContact CA-O 3.25Å
761Q90.6Very high79.9Confident117 Ų11763 Ų6355%0.54736%0.359SS..EExtended strand (participates in β ladder)trans-137.5142.8179.6-68.1-174.1-24.100109.7L812 D813Q761-L812 WeakPolarHBondContact O-CA 3.4Å; Q761-D813 PolarHBondContact N-O 2.91Å; Q761-D813 PolarHBondContact O-N 3.18Å
762V89.6Confident78.7Confident33 Ų3369.1 Ų69.120%0.239%0.387CS..EExtended strand (participates in β ladder)trans-106.3126.6176.5176.50000108.6I779 L781 L798 V810 K811 L812 L829V762-I779 HydrophobicContact CG1-CD1 4.36Å; V762-I779 HydrophobicContact CG1-CG2 3.95Å; V762-L781 HydrophobicContact CG2-CD1 4.19Å; V762-L781 HydrophobicContact CG2-CD2 4.07Å; V762-L798 HydrophobicContact CG2-CD1 4.29Å; V762-L798 HydrophobicContact CG2-CD2 4.35Å; V762-V810 HydrophobicContact CG1-CG1 3.24Å; V762-K811 CarbonylContact C-O 3.54Å; V762-K811 VanDerWaalsContact CA-O 3.28Å; V762-K811 WeakPolarHBondContact CA-O 3.34Å; V762-L812 HydrophobicContact CG2-CD1 3.92Å; V762-L829 HydrophobicContact CG1-CD1 4.03Å; V762-L829 HydrophobicContact CG2-CD1 3.68Å
763T82.3Confident77.7Confident53 Ų5365.2 Ų65.233%0.32536%0.36SS..EExtended strand (participates in β ladder)trans-131.9162.6178.760.80000109.7K811 D813T763-K811 PolarHBondContact N-O 3.19Å; T763-K811 WeakPolarHBondContact O-CA 3.3Å; T763-K811 WeakPolarHBondContact O-CB 3.35Å; T763-K811 PolarHBondContact O-N 3.01Å; T763-D813 PolarHBondContact OG1-OD2 3.21Å
764C74.9Confident76.6Confident21 Ų2164.6 Ų64.614%0.14237%0.368CS..  trans-130.182.6174.6-72.50000108D766 A767 L773C764-D766 VanDerWaalsContact C-N 3.25Å; C764-D766 PolarHBondContact O-N 2.91Å; C764-A767 PolarHBondContact O-N 3.49Å; C764-L773 HydrophobicContact CB-CD1 4.26Å; C764-L773 HydrophobicContact CB-CD2 3.19Å; C764-L773 HydrophobicContact CB-CG 4.34Å
765P61.5Low75.8Confident63 Ų6366 Ų6641%0.40937%0.369SS..THydrogen-bonded Turntrans-67.4-26.1-170.526.9-35.1000113.2Y705 A767 K811Y705-P765 WeakPolarHBondContact OH-CG 3.07Å; P765-A767 PolarHBondContact O-N 3.23Å; P765-K811 HydrophobicContact CG-CB 4.2Å; P765-K811 HydrophobicContact CG-CD 3.91Å
766D59.3Low75.2Confident91 Ų9166.5 Ų66.549%0.48737%0.374SS..THydrogen-bonded Turntrans-78.6-2.9-178.1-63.7-31.7000113.5C764 M768C764-D766 VanDerWaalsContact C-N 3.25Å; C764-D766 PolarHBondContact O-N 2.91Å; D766-M768 PolarHBondContact O-N 3.14Å
767A56.1Low75Confident19 Ų1964.6 Ų64.616%0.15736%0.362CS..  trans-75.6115178.100000110.7C764 P765 D769 L773 E808C764-A767 PolarHBondContact O-N 3.49Å; P765-A767 PolarHBondContact O-N 3.23Å; A767-D769 PolarHBondContact O-N 2.86Å; A767-L773 HydrophobicContact CB-CB 3.87Å; A767-L773 HydrophobicContact CB-CD1 4.44Å; A767-L773 HydrophobicContact CB-CD2 4.05Å; A767-L773 HydrophobicContact CB-CG 4.36Å; A767-E808 HydrophobicContact CB-CG 4.49Å
768M55.1Low74.9Confident182 Ų18261.9 Ų61.990%0.89735%0.348SS*.SBendtrans-64-28.9176.5-73.5-159.8166.600113D766D766-M768 PolarHBondContact O-N 3.14Å
769D59.2Low74.6Confident73 Ų7363.8 Ų63.839%0.3936%0.358SS..  trans-138.2117.9175.4-174-7.7000108.9A767 N771 E772 L773A767-D769 PolarHBondContact O-N 2.86Å; D769-N771 PolarHBondContact O-N 3.3Å; D769-N771 VanDerWaalsContact OD1-CB 3.29Å; D769-N771 WeakPolarHBondContact OD1-CB 3.47Å; D769-N771 PolarHBondContact OD1-N 2.85Å; D769-E772 HydrophobicContact CB-CB 4.15Å; D769-E772 HydrophobicContact CB-CG 4.11Å; D769-E772 PolarHBondContact O-N 3.35Å; D769-L773 PolarHBondContact O-N 2.96Å; D769-L773 VanDerWaalsContact O-N 3.15Å
770V58.7Low74.6Confident110 Ų11066.6 Ų66.667%0.66737%0.366SS*.Hα-helixtrans-56.8-31.6176.8-1790000110.4A774V770-A774 WeakPolarHBondContact O-CB 3.43Å; V770-A774 PolarHBondContact O-N 3.35Å
771N61.5Low74.5Confident103 Ų10368.3 Ų68.355%0.55137%0.374SS*.Hα-helixtrans-71.1-34.5176.3-67.8-33.1000112.6D769 K775D769-N771 PolarHBondContact O-N 3.3Å; D769-N771 VanDerWaalsContact OD1-CB 3.29Å; D769-N771 WeakPolarHBondContact OD1-CB 3.47Å; D769-N771 PolarHBondContact OD1-N 2.85Å; N771-K775 WeakPolarHBondContact O-CB 3.3Å; N771-K775 VanDerWaalsContact O-CD 3.29Å; N771-K775 WeakPolarHBondContact O-CD 3.38Å; N771-K775 WeakPolarHBondContact O-CG 3.49Å; N771-K775 PolarHBondContact O-N 2.84Å
772E65.3Low74.5Confident137 Ų13766.1 Ų66.164%0.6436%0.364SS*.Hα-helixtrans-70.3-38175.2-76.7-151.9159.900111.7D769 K775 A776D769-E772 HydrophobicContact CB-CB 4.15Å; D769-E772 HydrophobicContact CB-CG 4.11Å; D769-E772 PolarHBondContact O-N 3.35Å; E772-K775 CarbonylContact O-C 3.58Å; E772-K775 WeakPolarHBondContact O-CB 3.47Å; E772-K775 PolarHBondContact O-N 3.16Å; E772-A776 PolarHBondContact O-N 3.4Å; E772-A776 VanDerWaalsContact O-N 3.13Å
773L67.8Low74.5Confident25 Ų2570.3 Ų70.313%0.13139%0.392CS..Hα-helixtrans-65.8-47.3175.9-178.879000111.8C764 A767 D769 K775 A776 I777 E808C764-L773 HydrophobicContact CB-CD1 4.26Å; C764-L773 HydrophobicContact CB-CD2 3.19Å; C764-L773 HydrophobicContact CB-CG 4.34Å; A767-L773 HydrophobicContact CB-CB 3.87Å; A767-L773 HydrophobicContact CB-CD1 4.44Å; A767-L773 HydrophobicContact CB-CD2 4.05Å; A767-L773 HydrophobicContact CB-CG 4.36Å; D769-L773 PolarHBondContact O-N 2.96Å; D769-L773 VanDerWaalsContact O-N 3.15Å; L773-K775 PolarHBondContact O-N 3.22Å; L773-K775 VanDerWaalsContact O-N 3.1Å; L773-A776 WeakPolarHBondContact O-CA 3.22Å; L773-A776 PolarHBondContact O-N 3.4Å; L773-I777 HydrophobicContact CD1-CG2 3.5Å; L773-I777 HydrophobicContact CG-CG2 3.83Å; L773-I777 PolarHBondContact O-N 3.43Å; L773-E808 HydrophobicContact CD1-CB 4.01Å; L773-E808 HydrophobicContact CD1-CG 4.08Å
774A71.2Confident74.6Confident60 Ų6069.4 Ų69.450%0.49639%0.393SS..Hα-helixtrans-59.7-22.3176.100000112.3V770 L803V770-A774 WeakPolarHBondContact O-CB 3.43Å; V770-A774 PolarHBondContact O-N 3.35Å; A774-L803 WeakPolarHBondContact O-CD1 3.3Å
775K76.4Confident75.2Confident70 Ų7069.5 Ų69.530%0.30439%0.394SS..THydrogen-bonded Turntrans-83.7-15.6172.4-75170.8-171.7179.20113.9N771 E772 L773 R804N771-K775 WeakPolarHBondContact O-CB 3.3Å; N771-K775 VanDerWaalsContact O-CD 3.29Å; N771-K775 WeakPolarHBondContact O-CD 3.38Å; N771-K775 WeakPolarHBondContact O-CG 3.49Å; N771-K775 PolarHBondContact O-N 2.84Å; E772-K775 CarbonylContact O-C 3.58Å; E772-K775 WeakPolarHBondContact O-CB 3.47Å; E772-K775 PolarHBondContact O-N 3.16Å; L773-K775 PolarHBondContact O-N 3.22Å; L773-K775 VanDerWaalsContact O-N 3.1Å; K775-R804 PolarHBondContact O-NH1 3.11Å
776A84Confident76.6Confident11 Ų1172.4 Ų72.49%0.09141%0.406CS..THydrogen-bonded Turntrans-104.4-40.1-177.900000112.9E772 L773 L803 R804 F806E772-A776 PolarHBondContact O-N 3.4Å; E772-A776 VanDerWaalsContact O-N 3.13Å; L773-A776 WeakPolarHBondContact O-CA 3.22Å; L773-A776 PolarHBondContact O-N 3.4Å; A776-L803 WeakPolarHBondContact O-CA 3.4Å; A776-L803 WeakPolarHBondContact O-CB 3.26Å; A776-L803 PolarHBondContact O-N 3.07Å; A776-R804 HydrophobicContact CB-CB 4.47Å; A776-R804 PolarHBondContact O-N 3.09Å; A776-R804 VanDerWaalsContact O-O 3.13Å; A776-F806 HydrophobicContact CB-CB 4.03Å
777I88Confident78.2Confident7 Ų774 Ų744%0.03641%0.405CS..EExtended strand (participates in β ladder)trans-141.7130.2-178.2-170.3167.1000110.2L773 I779 V800 E801 F806 V810 V831L773-I777 HydrophobicContact CD1-CG2 3.5Å; L773-I777 HydrophobicContact CG-CG2 3.83Å; L773-I777 PolarHBondContact O-N 3.43Å; I777-I779 HydrophobicContact CD1-CD1 4.21Å; I777-I779 HydrophobicContact CD1-CG1 4.2Å; I777-I779 HydrophobicContact CG1-CD1 4.33Å; I777-I779 HydrophobicContact CG1-CG1 3.9Å; I777-I779 HydrophobicContact CG2-CD1 4.33Å; I777-I779 HydrophobicContact CG2-CG1 4.44Å; I777-V800 HydrophobicContact CD1-CG1 3.54Å; I777-V800 HydrophobicContact CG1-CG1 3.65Å; I777-E801 WeakPolarHBondContact CA-O 3.48Å; I777-F806 HydrophobicContact CB-CD1 4.5Å; I777-F806 HydrophobicContact CD1-CD1 4.35Å; I777-F806 HydrophobicContact CD1-CD2 4.47Å; I777-F806 HydrophobicContact CD1-CE1 3.9Å; I777-F806 HydrophobicContact CD1-CE2 4.03Å; I777-F806 HydrophobicContact CD1-CZ 3.73Å; I777-V810 HydrophobicContact CD1-CG2 4.46Å; I777-V831 HydrophobicContact CD1-CG1 3.64Å
778S89.8Confident80.1Confident55 Ų5573.1 Ų73.139%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-99129.6169.7-177.30000108.6V800 E801S778-V800 CarbonylContact O-C 3.59Å; S778-V800 WeakPolarHBondContact O-CA 3.3Å; S778-E801 PolarHBondContact N-O 3.5Å; S778-E801 PolarHBondContact O-N 3.05Å
779I89.8Confident82Confident49 Ų4968.4 Ų68.425%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-128.1118.1-177.4-57-179.7000108.1V762 I777 L798 V810V762-I779 HydrophobicContact CG1-CD1 4.36Å; V762-I779 HydrophobicContact CG1-CG2 3.95Å; I777-I779 HydrophobicContact CD1-CD1 4.21Å; I777-I779 HydrophobicContact CD1-CG1 4.2Å; I777-I779 HydrophobicContact CG1-CD1 4.33Å; I777-I779 HydrophobicContact CG1-CG1 3.9Å; I777-I779 HydrophobicContact CG2-CD1 4.33Å; I777-I779 HydrophobicContact CG2-CG1 4.44Å; I779-L798 HydrophobicContact CG2-CD1 3.35Å; I779-L798 HydrophobicContact CG2-CG 4.27Å; I779-V810 HydrophobicContact CD1-CB 4.47Å; I779-V810 HydrophobicContact CD1-CG1 3.82Å; I779-V810 HydrophobicContact CD1-CG2 3.75Å
780E91.7Very high83.6Confident106 Ų10666.8 Ų66.850%0.49537%0.37SS..EExtended strand (participates in β ladder)trans-118.6102.9178.2-171.5-165.1176.300109.2Q782 N799E780-Q782 PolarHBondContact OE1-NE2 3.35Å; E780-N799 HydrophobicContact CB-CB 4.35Å; E780-N799 PolarHBondContact N-O 3.47Å; E780-N799 PolarHBondContact O-N 3.34Å
781L91.5Very high85.2Confident49 Ų4964.7 Ų64.726%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-86.4116.3174-174.769.7000109V762 Q796 L798V762-L781 HydrophobicContact CG2-CD1 4.19Å; V762-L781 HydrophobicContact CG2-CD2 4.07Å; L781-Q796 HydrophobicContact CD1-CG 4.09Å; L781-L798 HydrophobicContact CB-CD1 3.82Å; L781-L798 HydrophobicContact CD1-CB 4.05Å; L781-L798 HydrophobicContact CD1-CD1 3.79Å; L781-L798 HydrophobicContact CD1-CG 4.45Å; L781-L798 HydrophobicContact CG-CD1 4.43Å
782Q91.6Very high86.8Confident71 Ų7162.7 Ų62.733%0.33236%0.362SS..PPolyproline II helixtrans-66.3152.9174.3-66.6-63.9-35.800110.6E780 G784 Q796 T797E780-Q782 PolarHBondContact OE1-NE2 3.35Å; Q782-G784 PolarHBondContact O-N 2.74Å; Q782-Q796 WeakPolarHBondContact O-CG 3.39Å; Q782-Q796 PolarHBondContact O-NE2 3.38Å; Q782-T797 VanDerWaalsContact CB-O 3.3Å; Q782-T797 WeakPolarHBondContact CB-O 3.38Å; Q782-T797 HydrophobicContact CG-CG2 4.42Å; Q782-T797 PolarHBondContact N-O 2.99Å
783P88.8Confident88.3Confident121 Ų12161.6 Ų61.679%0.78636%0.357SS*.PPolyproline II helixtrans-48.8127.6178.1-27.835000112
784G84.5Confident89.6Confident35 Ų3562.7 Ų62.736%0.36137%0.365SS..PPolyproline II helixtrans-91.3170.1-179.200000112.9Q782Q782-G784 PolarHBondContact O-N 2.74Å
785P88.6Confident90.7Very high22 Ų2264.7 Ų64.714%0.14336%0.364CS..PPolyproline II helixtrans-66.4142.2172.528.3-33.1000111F758 I788 V794F758-P785 HydrophobicContact CD1-CG 3.98Å; F758-P785 VanDerWaalsContact CD1-O 3.32Å; F758-P785 WeakPolarHBondContact CD1-O 3.48Å; F758-P785 HydrophobicContact CE1-CG 4.23Å; F758-P785 VanDerWaalsContact O-O 3.11Å; P785-I788 HydrophobicContact CB-CG1 4.2Å; P785-I788 HydrophobicContact CG-CD1 4.11Å; P785-I788 HydrophobicContact CG-CG1 4.02Å; P785-V794 HydrophobicContact CB-CB 4.49Å; P785-V794 HydrophobicContact CB-CG1 3.99Å; P785-V794 HydrophobicContact CG-CB 4.18Å; P785-V794 HydrophobicContact CG-CG1 3.84Å
786D90.7Very high91.6Very high124 Ų12461.6 Ų61.666%0.66335%0.351SS*.SBendtrans-89.1-16.4168.963-18000112.3V757 F758V757-D786 PolarHBondContact N-O 2.87Å; V757-D786 VanDerWaalsContact N-O 3.15Å; F758-D786 PolarHBondContact N-O 3.39Å
787R92.6Very high92.2Very high124 Ų12462.2 Ų62.247%0.46835%0.353SS..EExtended strand (participates in β ladder)trans-147.8139.2179.4-178172.1169.7165.7-3.3111.6F755 E789F755-R787 CarbonylContact O-C 3.49Å; F755-R787 VanDerWaalsContact O-CA 3.26Å; F755-R787 WeakPolarHBondContact O-CA 3.49Å; F755-R787 WeakPolarHBondContact O-CG 3Å; R787-E789 IonicContact CZ-OE1 3.96Å; R787-E789 IonicContact NE-OE1 3.25Å; R787-E789 PolarHBondContact NE-OE1 3.37Å; R787-E789 IonicContact NE-OE2 2.72Å; R787-E789 IonicContact NH2-OE1 2.97Å; R787-E789 PolarHBondContact NH2-OE1 2.87Å; R787-E789 IonicContact NH2-OE2 3.58Å; R787-E789 PolarHBondContact NH2-OE2 3.18Å
788I95.3Very high92.6Very high1 Ų162 Ų621%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-126113.4175-54.1179.5000109Y747 N749 P754 F755 F758 P785 V794Y747-I788 VanDerWaalsContact CB-CD1 3.49Å; Y747-I788 HydrophobicContact CG-CD1 4.35Å; N749-I788 HydrophobicContact CB-CG2 3.78Å; N749-I788 PolarHBondContact ND2-O 3.13Å; N749-I788 VanDerWaalsContact ND2-O 3.13Å; P754-I788 WeakPolarHBondContact CA-O 3.39Å; F755-I788 HydrophobicContact CB-CB 4.27Å; F755-I788 HydrophobicContact CD2-CB 4.37Å; F755-I788 PolarHBondContact N-O 2.94Å; F755-I788 PolarHBondContact O-N 2.85Å; F758-I788 HydrophobicContact CD1-CD1 4.21Å; F758-I788 HydrophobicContact CD2-CD1 3.58Å; F758-I788 HydrophobicContact CD2-CG1 4.15Å; F758-I788 HydrophobicContact CE1-CD1 4.15Å; F758-I788 HydrophobicContact CE2-CD1 3.53Å; F758-I788 HydrophobicContact CG-CD1 3.94Å; F758-I788 HydrophobicContact CG-CG1 4.22Å; F758-I788 HydrophobicContact CZ-CD1 3.83Å; P785-I788 HydrophobicContact CB-CG1 4.2Å; P785-I788 HydrophobicContact CG-CD1 4.11Å; P785-I788 HydrophobicContact CG-CG1 4.02Å; I788-V794 HydrophobicContact CG1-CG2 4.33Å; I788-V794 HydrophobicContact CG2-CG2 4.28Å
789E95.2Very high92.9Very high84 Ų8461.7 Ų61.739%0.39335%0.346SS..  trans-63.8152.9-178.4-65.7-57.6148.400112.7N749 R787 G791 T792N749-E789 WeakPolarHBondContact CB-O 3.23Å; N749-E789 PolarHBondContact ND2-O 2.91Å; R787-E789 IonicContact CZ-OE1 3.96Å; R787-E789 IonicContact NE-OE1 3.25Å; R787-E789 PolarHBondContact NE-OE1 3.37Å; R787-E789 IonicContact NE-OE2 2.72Å; R787-E789 IonicContact NH2-OE1 2.97Å; R787-E789 PolarHBondContact NH2-OE1 2.87Å; R787-E789 IonicContact NH2-OE2 3.58Å; R787-E789 PolarHBondContact NH2-OE2 3.18Å; E789-G791 PolarHBondContact O-N 2.77Å; E789-T792 HydrophobicContact CB-CG2 3.76Å; E789-T792 PolarHBondContact N-OG1 3.37Å; E789-T792 PolarHBondContact O-N 3.19Å; E789-T792 VanDerWaalsContact O-N 3.12Å; E789-T792 PolarHBondContact O-OG1 3.5Å
790A93.3Very high93.1Very high39 Ų3959.5 Ų59.532%0.32234%0.335SS..THydrogen-bonded Turntrans-54.4131.7177.900000111.6P752 T792P752-A790 VanDerWaalsContact C-CB 3.46Å; P752-A790 WeakPolarHBondContact O-CB 3.44Å; A790-T792 PolarHBondContact O-N 3.03Å
791G91.8Very high93.2Very high66 Ų6657 Ų5768%0.6832%0.323SS*.THydrogen-bonded Turntrans71.32.3179.800000115.9N749 E789N749-G791 CarbonylContact O-C 3.58Å; N749-G791 WeakPolarHBondContact O-CA 3.26Å; N749-G791 PolarHBondContact O-N 3.24Å; N749-G791 VanDerWaalsContact O-N 3.11Å; E789-G791 PolarHBondContact O-N 2.77Å
792T95.8Very high93.4Very high60 Ų6054.7 Ų54.737%0.36831%0.311SS..  trans-99.4167.2-178.270.60000112.9G748 N749 E789 A790G748-T792 WeakPolarHBondContact CA-O 3.48Å; N749-T792 PolarHBondContact N-O 3.11Å; E789-T792 HydrophobicContact CB-CG2 3.76Å; E789-T792 PolarHBondContact N-OG1 3.37Å; E789-T792 PolarHBondContact O-N 3.19Å; E789-T792 VanDerWaalsContact O-N 3.12Å; E789-T792 PolarHBondContact O-OG1 3.5Å; A790-T792 PolarHBondContact O-N 3.03Å
793Q95.1Very high93.4Very high114 Ų11453.3 Ų53.353%0.53331%0.306SS..EExtended strand (participates in β ladder)trans-131.7136174.2177.1173.690.100110.4F746 Y747F746-Q793 HydrophobicContact CB-CG 4.13Å; F746-Q793 HydrophobicContact CD1-CG 4.42Å; Y747-Q793 VanDerWaalsContact O-CA 3.29Å; Y747-Q793 WeakPolarHBondContact O-CA 3.46Å
794V95.9Very high93.5Very high48 Ų4851 Ų5129%0.29128%0.282SS..EExtended strand (participates in β ladder)trans-121.3142.7177.4-177.30000110F746 Y747 P785 I788F746-V794 CarbonylContact C-O 3.56Å; F746-V794 WeakPolarHBondContact CA-O 3.44Å; Y747-V794 PolarHBondContact N-O 3.26Å; Y747-V794 PolarHBondContact O-N 2.91Å; P785-V794 HydrophobicContact CB-CB 4.49Å; P785-V794 HydrophobicContact CB-CG1 3.99Å; P785-V794 HydrophobicContact CG-CB 4.18Å; P785-V794 HydrophobicContact CG-CG1 3.84Å; I788-V794 HydrophobicContact CG1-CG2 4.33Å; I788-V794 HydrophobicContact CG2-CG2 4.28Å
795Q94.9Very high93.7Very high103 Ų10350.4 Ų50.448%0.48127%0.271SS..EExtended strand (participates in β ladder)trans-101.6136.3175.6-177.8-177.7-18.200110.7V745 F746V745-Q795 CarbonylContact O-C 3.53Å; V745-Q795 WeakPolarHBondContact O-CA 3.33Å; F746-Q795 HydrophobicContact CD1-CB 3.84Å; F746-Q795 HydrophobicContact CD1-CG 4.1Å; F746-Q795 HydrophobicContact CE1-CB 3.68Å; F746-Q795 HydrophobicContact CE1-CG 3.67Å; F746-Q795 VanDerWaalsContact CE1-OE1 3.26Å; F746-Q795 HydrophobicContact CE2-CG 4.29Å; F746-Q795 HydrophobicContact CZ-CB 4.31Å; F746-Q795 VanDerWaalsContact CZ-CD 3.43Å; F746-Q795 HydrophobicContact CZ-CG 3.77Å
796Q95.7Very high93.8Very high5 Ų549.6 Ų49.62%0.02327%0.265CS..EExtended strand (participates in β ladder)trans-118.8139.9167-172.7-177.223.200109.1V745 Y747 S760 L781 Q782V745-Q796 PolarHBondContact N-O 3.08Å; V745-Q796 PolarHBondContact O-N 3.18Å; Y747-Q796 HydrophobicContact CE2-CB 3.79Å; Y747-Q796 VanDerWaalsContact CE2-OE1 3.23Å; Y747-Q796 PolarHBondContact OH-OE1 3.24Å; S760-Q796 PolarHBondContact OG-NE2 3.48Å; S760-Q796 VanDerWaalsContact OG-NE2 3.15Å; S760-Q796 PolarHBondContact OG-OE1 3.31Å; L781-Q796 HydrophobicContact CD1-CG 4.09Å; Q782-Q796 WeakPolarHBondContact O-CG 3.39Å; Q782-Q796 PolarHBondContact O-NE2 3.38Å
797T96.3Very high93.6Very high24 Ų2446.5 Ų46.515%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-97.3136.1179.8-60.60000110.4R742 L743 Q782R742-T797 HydrophobicContact CG-CG2 4Å; R742-T797 VanDerWaalsContact NE-CG2 3.29Å; L743-T797 WeakPolarHBondContact O-CA 3.32Å; Q782-T797 VanDerWaalsContact CB-O 3.3Å; Q782-T797 WeakPolarHBondContact CB-O 3.38Å; Q782-T797 HydrophobicContact CG-CG2 4.42Å; Q782-T797 PolarHBondContact N-O 2.99Å
798L95.5Very high93.2Very high1 Ų143.2 Ų43.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-123.2117.3172.2176.567.1000108.3L743 V762 I779 L781 V800 L829L743-L798 HydrophobicContact CB-CB 4.18Å; L743-L798 HydrophobicContact CD2-CD2 4.38Å; L743-L798 PolarHBondContact N-O 2.82Å; L743-L798 PolarHBondContact O-N 3.06Å; V762-L798 HydrophobicContact CG2-CD1 4.29Å; V762-L798 HydrophobicContact CG2-CD2 4.35Å; I779-L798 HydrophobicContact CG2-CD1 3.35Å; I779-L798 HydrophobicContact CG2-CG 4.27Å; L781-L798 HydrophobicContact CB-CD1 3.82Å; L781-L798 HydrophobicContact CD1-CB 4.05Å; L781-L798 HydrophobicContact CD1-CD1 3.79Å; L781-L798 HydrophobicContact CD1-CG 4.45Å; L781-L798 HydrophobicContact CG-CD1 4.43Å; L798-V800 HydrophobicContact CD2-CG2 4.38Å; L798-V800 HydrophobicContact CG-CG2 4.12Å; L798-L829 HydrophobicContact CD2-CD1 3.86Å
799N95.7Very high92.6Very high50 Ų5045.3 Ų45.327%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-96.3136.3174.2-61.3-35.3000109.1E780E780-N799 HydrophobicContact CB-CB 4.35Å; E780-N799 PolarHBondContact N-O 3.47Å; E780-N799 PolarHBondContact O-N 3.34Å
800V94.9Very high92.3Very high3 Ų341.4 Ų41.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-130.9132.5-179.4-177.40000109.2F740 C741 L743 I777 S778 L798 V831 F836F740-V800 CarbonylContact C-O 3.52Å; F740-V800 WeakPolarHBondContact CA-O 3.12Å; C741-V800 HydrophobicContact CB-CB 4.25Å; C741-V800 PolarHBondContact N-O 3.26Å; C741-V800 WeakPolarHBondContact O-CA 3.43Å; C741-V800 WeakPolarHBondContact O-CB 3.49Å; C741-V800 PolarHBondContact O-N 2.95Å; L743-V800 HydrophobicContact CD1-CG2 4.01Å; I777-V800 HydrophobicContact CD1-CG1 3.54Å; I777-V800 HydrophobicContact CG1-CG1 3.65Å; S778-V800 CarbonylContact O-C 3.59Å; S778-V800 WeakPolarHBondContact O-CA 3.3Å; L798-V800 HydrophobicContact CD2-CG2 4.38Å; L798-V800 HydrophobicContact CG-CG2 4.12Å; V800-V831 HydrophobicContact CB-CG1 4.49Å; V800-V831 HydrophobicContact CG1-CG1 3.74Å; V800-V831 HydrophobicContact CG2-CG1 4.23Å; V800-V831 HydrophobicContact CG2-CG2 4.2Å; V800-F836 HydrophobicContact CG1-CZ 3.92Å
801E94.6Very high92.1Very high53 Ų5340.2 Ų40.225%0.24822%0.221CC..EExtended strand (participates in β ladder)trans-119.8126.4170.5-174.1-177.1-179.800110.2Q739 F740 I777 S778 L803 S907Q739-E801 HydrophobicContact CG-CG 4.21Å; Q739-E801 PolarHBondContact NE2-OE1 3.42Å; Q739-E801 WeakPolarHBondContact O-CA 3.36Å; F740-E801 HydrophobicContact CD1-CB 4.05Å; F740-E801 HydrophobicContact CD1-CG 3.85Å; F740-E801 HydrophobicContact CE1-CB 4.14Å; F740-E801 VanDerWaalsContact CE1-CD 3.48Å; F740-E801 HydrophobicContact CE1-CG 3.61Å; F740-E801 HydrophobicContact CZ-CG 4.48Å; I777-E801 WeakPolarHBondContact CA-O 3.48Å; S778-E801 PolarHBondContact N-O 3.5Å; S778-E801 PolarHBondContact O-N 3.05Å; E801-L803 HydrophobicContact CG-CD2 3.93Å; E801-L803 PolarHBondContact O-N 3.43Å; E801-S907 PolarHBondContact OE1-OG 2.97Å
802C93.9Very high92.2Very high0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-85.5102.7173.8-174.10000110.2Q739 R804 F836 T906 S907Q739-C802 PolarHBondContact O-N 2.94Å; C802-R804 PolarHBondContact SG-O 3.17Å; C802-F836 HydrophobicContact CB-CB 4.42Å; C802-F836 HydrophobicContact CB-CD1 3.52Å; C802-F836 HydrophobicContact CB-CD2 3.81Å; C802-F836 HydrophobicContact CB-CE1 3.58Å; C802-F836 HydrophobicContact CB-CE2 3.88Å; C802-F836 HydrophobicContact CB-CG 3.63Å; C802-F836 HydrophobicContact CB-CZ 3.76Å; C802-T906 CarbonylContact O-C 3.47Å; C802-T906 WeakPolarHBondContact O-CA 3.22Å; C802-T906 WeakPolarHBondContact O-CB 3.24Å; C802-T906 VanDerWaalsContact SG-CG2 3.55Å; C802-S907 PolarHBondContact O-N 3.32Å; C802-S907 PolarHBondContact O-OG 3.37Å
803L92.5Very high92Very high42 Ų4235 Ų3522%0.2218%0.176CC..SBendtrans-79.3-40.9179.3-54177.4000111.2A774 A776 E801 T906 S907 S908A774-L803 WeakPolarHBondContact O-CD1 3.3Å; A776-L803 WeakPolarHBondContact O-CA 3.4Å; A776-L803 WeakPolarHBondContact O-CB 3.26Å; A776-L803 PolarHBondContact O-N 3.07Å; E801-L803 HydrophobicContact CG-CD2 3.93Å; E801-L803 PolarHBondContact O-N 3.43Å; L803-T906 WeakPolarHBondContact O-CB 3.27Å; L803-T906 PolarHBondContact O-OG1 3.13Å; L803-S907 PolarHBondContact O-N 2.98Å; L803-S908 WeakPolarHBondContact O-CB 3.36Å; L803-S908 PolarHBondContact O-N 3.48Å; L803-S908 PolarHBondContact O-OG 3.08Å
804R90.6Very high92Very high74 Ų7429.6 Ų29.628%0.27915%0.15SC..SBendtrans-144161.2177-60.7-170.8176.2106.726110.8K775 A776 C802 F806K775-R804 PolarHBondContact O-NH1 3.11Å; A776-R804 HydrophobicContact CB-CB 4.47Å; A776-R804 PolarHBondContact O-N 3.09Å; A776-R804 VanDerWaalsContact O-O 3.13Å; C802-R804 PolarHBondContact SG-O 3.17Å; R804-F806 PolarHBondContact O-N 2.87Å
805P89.4Confident91.9Very high21 Ų2128.8 Ų28.814%0.13615%0.147CC..  trans-57.4129.5171.1-23.834.6000111.6L833 T906 V911 V937P805-L833 HydrophobicContact CB-CD1 4.23Å; P805-L833 HydrophobicContact CB-CD2 4.28Å; P805-T906 HydrophobicContact CG-CG2 4.14Å; P805-V911 HydrophobicContact CG-CG2 4.32Å; P805-V937 HydrophobicContact CB-CG2 3.6Å; P805-V937 HydrophobicContact CG-CG2 3.73Å
806F90Very high91.9Very high5 Ų524 Ų242%0.02212%0.124CC..  trans-127.8163.2-17670.3-86.9000110.3A776 I777 R804 E808 V831 L833 F836A776-F806 HydrophobicContact CB-CB 4.03Å; I777-F806 HydrophobicContact CB-CD1 4.5Å; I777-F806 HydrophobicContact CD1-CD1 4.35Å; I777-F806 HydrophobicContact CD1-CD2 4.47Å; I777-F806 HydrophobicContact CD1-CE1 3.9Å; I777-F806 HydrophobicContact CD1-CE2 4.03Å; I777-F806 HydrophobicContact CD1-CZ 3.73Å; R804-F806 PolarHBondContact O-N 2.87Å; F806-E808 WeakPolarHBondContact CB-OE2 3.41Å; F806-V831 WeakPolarHBondContact CE2-O 3.4Å; F806-V831 HydrophobicContact CZ-CG1 4.22Å; F806-L833 HydrophobicContact CD1-CD1 4.19Å; F806-L833 HydrophobicContact CE1-CD1 4.23Å; F806-F836 HydrophobicContact CE1-CD2 4.09Å; F806-F836 AromaticContact CE1-CE2 3.68Å; F806-F836 HydrophobicContact CE1-CE2 3.68Å; F806-F836 AromaticContact CZ-CE2 3.95Å; F806-F836 HydrophobicContact CZ-CE2 3.95Å
807T86.6Confident91.8Very high59 Ų5926.2 Ų26.236%0.36214%0.136SC..  trans-130.3-8.1-179.765.60000114.1I936 H940T807-I936 HydrophobicContact CG2-CG2 3.55Å; T807-H940 HydrophobicContact CG2-CB 3.85Å; T807-H940 PolarHBondContact O-CE1 3.08Å
808E84.8Confident91.6Very high55 Ų5525.3 Ų25.326%0.25713%0.131SC..PPolyproline II helixtrans-72.1148.9-175.5-62.169.3-152.800110.9A767 L773 F806A767-E808 HydrophobicContact CB-CG 4.49Å; L773-E808 HydrophobicContact CD1-CB 4.01Å; L773-E808 HydrophobicContact CD1-CG 4.08Å; F806-E808 WeakPolarHBondContact CB-OE2 3.41Å
809I83.2Confident91Very high46 Ų4631.2 Ų31.224%0.23616%0.158CC..PPolyproline II helixtrans-98124.1179.2-58.5179.4000108.5M828I809-M828 HydrophobicContact CD1-CE 3.4Å; I809-M828 HydrophobicContact CG1-CE 4.37Å; I809-M828 HydrophobicContact CG2-CB 4.01Å; I809-M828 HydrophobicContact CG2-CE 3.68Å; I809-M828 HydrophobicContact CG2-CG 4.02Å
810V88.7Confident90.2Very high2 Ų236.1 Ų36.11%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-76.2129.9174.7-174.10000108.8V762 I777 I779 L829 V831V762-V810 HydrophobicContact CG1-CG1 3.24Å; I777-V810 HydrophobicContact CD1-CG2 4.46Å; I779-V810 HydrophobicContact CD1-CB 4.47Å; I779-V810 HydrophobicContact CD1-CG1 3.82Å; I779-V810 HydrophobicContact CD1-CG2 3.75Å; V810-L829 HydrophobicContact CB-CB 4.01Å; V810-L829 HydrophobicContact CG1-CB 4.05Å; V810-L829 HydrophobicContact CG1-CD1 3.77Å; V810-L829 WeakPolarHBondContact O-CB 3.46Å; V810-L829 PolarHBondContact O-N 3Å; V810-V831 HydrophobicContact CB-CB 4.37Å; V810-V831 HydrophobicContact CG2-CB 3.93Å; V810-V831 HydrophobicContact CG2-CG1 4.2Å
811K88.8Confident89.8Confident13 Ų1338.8 Ų38.86%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-104.3137.8178.2177.1176.9175.9-179.40110.1D703 Y705 V762 T763 P765 D813 A826 L827D703-K811 IonicContact OD2-NZ 3.05Å; D703-K811 PolarHBondContact OD2-NZ 3.3Å; Y705-K811 HydrophobicContact CE1-CB 4.1Å; Y705-K811 HydrophobicContact CE1-CD 3.99Å; Y705-K811 HydrophobicContact CE1-CG 3.93Å; V762-K811 CarbonylContact C-O 3.54Å; V762-K811 VanDerWaalsContact CA-O 3.28Å; V762-K811 WeakPolarHBondContact CA-O 3.34Å; T763-K811 PolarHBondContact N-O 3.19Å; T763-K811 WeakPolarHBondContact O-CA 3.3Å; T763-K811 WeakPolarHBondContact O-CB 3.35Å; T763-K811 PolarHBondContact O-N 3.01Å; P765-K811 HydrophobicContact CG-CB 4.2Å; P765-K811 HydrophobicContact CG-CD 3.91Å; K811-D813 WeakPolarHBondContact CE-OD1 3.5Å; K811-D813 WeakPolarHBondContact CE-OD2 3.4Å; K811-D813 IonicContact NZ-OD1 3.73Å; K811-D813 IonicContact NZ-OD2 3.42Å; K811-A826 VanDerWaalsContact CE-CB 3.5Å; K811-L827 CarbonylContact C-O 3.52Å; K811-L827 WeakPolarHBondContact CA-O 3.42Å
812L93.2Very high89.5Confident1 Ų144 Ų441%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-109.3114.4167.6177.969.6000108.7L722 V745 Y747 Q761 V762 V814 L827 L829L722-L812 HydrophobicContact CD2-CD2 4.33Å; V745-L812 HydrophobicContact CG1-CD2 4.23Å; Y747-L812 HydrophobicContact CE1-CD2 4.38Å; Q761-L812 WeakPolarHBondContact O-CA 3.4Å; V762-L812 HydrophobicContact CG2-CD1 3.92Å; L812-V814 HydrophobicContact CD1-CG2 4.35Å; L812-V814 HydrophobicContact CD2-CG2 3.89Å; L812-V814 HydrophobicContact CG-CG2 3.76Å; L812-L827 PolarHBondContact N-O 2.83Å; L812-L827 PolarHBondContact O-N 3.45Å; L812-L829 HydrophobicContact CB-CD1 3.75Å; L812-L829 HydrophobicContact CB-CD2 4.32Å; L812-L829 HydrophobicContact CB-CG 3.7Å; L812-L829 HydrophobicContact CD1-CD1 4.49Å; L812-L829 HydrophobicContact CD2-CD2 4.34Å
813D92.5Very high89.4Confident16 Ų1646.1 Ų46.19%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-91.2121.3168.2-79.1-83.6000108.7S760 Q761 T763 K811 R824 Y825S760-D813 CarbonylContact C-O 3.59Å; S760-D813 VanDerWaalsContact CA-O 3.31Å; S760-D813 WeakPolarHBondContact CA-O 3.25Å; Q761-D813 PolarHBondContact N-O 2.91Å; Q761-D813 PolarHBondContact O-N 3.18Å; T763-D813 PolarHBondContact OG1-OD2 3.21Å; K811-D813 WeakPolarHBondContact CE-OD1 3.5Å; K811-D813 WeakPolarHBondContact CE-OD2 3.4Å; K811-D813 IonicContact NZ-OD1 3.73Å; K811-D813 IonicContact NZ-OD2 3.42Å; D813-R824 IonicContact OD1-CZ 2.97Å; D813-R824 IonicContact OD1-NE 3.14Å; D813-R824 PolarHBondContact OD1-NE 2.82Å; D813-R824 IonicContact OD1-NH2 3.43Å; D813-R824 PolarHBondContact OD1-NH2 2.76Å; D813-Y825 WeakPolarHBondContact CA-O 3.47Å
814V94.3Very high89.4Confident1 Ų152.1 Ų52.11%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-118.1132174.7-177.20000108.7I730 Y747 F758 C759 L812 Y816 R824 Y825I730-V814 HydrophobicContact CD1-CG1 4.5Å; I730-V814 HydrophobicContact CD1-CG2 4.02Å; Y747-V814 HydrophobicContact CE1-CG2 3.95Å; F758-V814 HydrophobicContact CE1-CG1 4.31Å; F758-V814 HydrophobicContact CE2-CG1 3.72Å; F758-V814 HydrophobicContact CZ-CG1 3.48Å; F758-V814 VanDerWaalsContact CZ-CG1 3.48Å; C759-V814 CarbonylContact O-C 3.59Å; C759-V814 WeakPolarHBondContact O-CA 3.42Å; L812-V814 HydrophobicContact CD1-CG2 4.35Å; L812-V814 HydrophobicContact CD2-CG2 3.89Å; L812-V814 HydrophobicContact CG-CG2 3.76Å; V814-Y816 HydrophobicContact CG1-CD1 4.37Å; V814-R824 CarbonylContact O-C 3.46Å; V814-R824 VanDerWaalsContact O-CA 3.25Å; V814-R824 WeakPolarHBondContact O-CA 3.37Å; V814-Y825 PolarHBondContact N-O 2.99Å; V814-Y825 PolarHBondContact O-N 3.34Å
815S94.6Very high89.3Confident30 Ų3049 Ų4921%0.2124%0.243CC..EExtended strand (participates in β ladder)trans-142.3148.4174.564.10000112F758 C759 Q823F758-S815 CarbonylContact C-O 3.34Å; F758-S815 WeakPolarHBondContact CA-O 3.37Å; C759-S815 PolarHBondContact N-O 3.29Å; C759-S815 PolarHBondContact O-N 3.38Å; S815-Q823 WeakPolarHBondContact CA-O 3.14Å; S815-Q823 WeakPolarHBondContact CB-O 3.23Å
816Y94.8Very high89.3Confident4 Ų449 Ų492%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-163169.8178.558.2-93.5000110.9I728 F755 F758 V814 C818 Q823 Y825I728-Y816 HydrophobicContact CB-CE1 4.49Å; I728-Y816 HydrophobicContact CD1-CD1 4.44Å; I728-Y816 HydrophobicContact CD1-CE1 3.77Å; I728-Y816 HydrophobicContact CG2-CE1 4.5Å; F755-Y816 HydrophobicContact CB-CD2 3.95Å; F755-Y816 HydrophobicContact CB-CG 4.12Å; F755-Y816 AromaticContact CD1-CD2 3.6Å; F755-Y816 HydrophobicContact CD1-CD2 3.6Å; F755-Y816 AromaticContact CD1-CE2 3.54Å; F755-Y816 HydrophobicContact CD1-CE2 3.54Å; F755-Y816 HydrophobicContact CD1-CG 4.48Å; F755-Y816 HydrophobicContact CD2-CD1 4.38Å; F755-Y816 HydrophobicContact CD2-CD2 4.07Å; F755-Y816 HydrophobicContact CD2-CE1 4.37Å; F755-Y816 HydrophobicContact CD2-CE2 4.07Å; F755-Y816 HydrophobicContact CD2-CG 4.23Å; F755-Y816 HydrophobicContact CE1-CD2 4.05Å; F755-Y816 AromaticContact CE1-CE2 3.48Å; F755-Y816 HydrophobicContact CE1-CE2 3.48Å; F755-Y816 VanDerWaalsContact CE1-CE2 3.48Å; F755-Y816 HydrophobicContact CE2-CD2 4.48Å; F755-Y816 HydrophobicContact CE2-CE1 4.26Å; F755-Y816 HydrophobicContact CE2-CE2 4.01Å; F755-Y816 AromaticContact CE2-CZ 3.89Å; F755-Y816 AromaticContact CG-CD2 3.6Å; F755-Y816 HydrophobicContact CG-CD2 3.6Å; F755-Y816 AromaticContact CG-CE2 3.84Å; F755-Y816 HydrophobicContact CG-CE2 3.84Å; F755-Y816 HydrophobicContact CG-CG 4.04Å; F755-Y816 HydrophobicContact CZ-CD2 4.45Å; F755-Y816 AromaticContact CZ-CE2 3.71Å; F755-Y816 HydrophobicContact CZ-CE2 3.71Å; F755-Y816 AromaticContact CZ-CZ 3.78Å; F758-Y816 AromaticContact CD2-CD1 3.96Å; F758-Y816 HydrophobicContact CD2-CD1 3.96Å; F758-Y816 HydrophobicContact CD2-CG 4.15Å; F758-Y816 AromaticContact CE2-CD1 3.94Å; F758-Y816 HydrophobicContact CE2-CD1 3.94Å; V814-Y816 HydrophobicContact CG1-CD1 4.37Å; Y816-C818 HydrophobicContact CD2-CB 4.17Å; Y816-C818 HydrophobicContact CE2-CB 4Å; Y816-Q823 HydrophobicContact CD1-CB 4.39Å; Y816-Q823 HydrophobicContact CD2-CB 4.1Å; Y816-Q823 HydrophobicContact CD2-CG 4.34Å; Y816-Q823 HydrophobicContact CE1-CB 3.98Å; Y816-Q823 HydrophobicContact CE2-CB 3.65Å; Y816-Q823 HydrophobicContact CE2-CG 3.66Å; Y816-Q823 HydrophobicContact CG-CB 4.44Å; Y816-Q823 PolarHBondContact N-O 3.31Å; Y816-Q823 VanDerWaalsContact N-O 3.09Å; Y816-Q823 PolarHBondContact O-N 3.3Å; Y816-Y825 HydrophobicContact CE1-CD2 4.3Å; Y816-Y825 AromaticContact CE1-CE2 3.71Å; Y816-Y825 HydrophobicContact CE1-CE2 3.71Å; Y816-Y825 AromaticContact CZ-CE2 3.98Å; Y816-Y825 PolarHBondContact OH-OH 3.23Å
817L93.9Very high89.5Confident51 Ų5148.7 Ų48.727%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-108.1134.4171.3-16578.7000109.9F755 T756 K822F755-L817 WeakPolarHBondContact CA-O 3.41Å; T756-L817 PolarHBondContact N-O 3.13Å; T756-L817 PolarHBondContact O-N 3.24Å; L817-K822 HydrophobicContact CD1-CB 4.26Å
818C90.6Very high89.7Confident5 Ų546.4 Ų46.43%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-140.5122174.1-177.20000108.5F755 Y816 D820 S821F755-C818 HydrophobicContact CD1-CB 3.85Å; F755-C818 HydrophobicContact CE1-CB 3.98Å; Y816-C818 HydrophobicContact CD2-CB 4.17Å; Y816-C818 HydrophobicContact CE2-CB 4Å; C818-D820 VanDerWaalsContact C-N 3.27Å; C818-D820 PolarHBondContact O-N 3.46Å; C818-S821 PolarHBondContact N-O 3.46Å; C818-S821 WeakPolarHBondContact O-CA 3.41Å; C818-S821 WeakPolarHBondContact O-CB 3.35Å; C818-S821 PolarHBondContact O-N 2.88Å
819E84.2Confident90Very high124 Ų12443.8 Ų43.858%0.57922%0.216SC*.THydrogen-bonded Turntrans49.446-177-62175.990.900112.8H753 S821H753-E819 HydrophobicContact CB-CG 3.99Å; H753-E819 IonicContact CE1-OE1 3.27Å; H753-E819 PolarHBondContact CE1-OE1 2.9Å; H753-E819 IonicContact CE1-OE2 2.76Å; H753-E819 IonicContact CG-OE2 3.57Å; H753-E819 WeakPolarHBondContact ND1-CG 3.46Å; H753-E819 IonicContact ND1-OE1 3.73Å; H753-E819 PolarHBondContact ND1-OE1 3.27Å; H753-E819 IonicContact ND1-OE2 2.68Å; H753-E819 PolarHBondContact ND1-OE2 3.04Å; H753-E819 IonicContact NE2-OE1 2.74Å; E819-S821 PolarHBondContact O-N 2.98Å
820D79.1Confident90.3Very high153 Ų15341.7 Ų41.782%0.81821%0.205SC*.THydrogen-bonded Turntrans62.63.5-175.6-56.4-42000115.9C818C818-D820 VanDerWaalsContact C-N 3.27Å; C818-D820 PolarHBondContact O-N 3.46Å
821S85.1Confident90.4Very high59 Ų5941.7 Ų41.741%0.41321%0.205SC..EExtended strand (participates in β ladder)trans-92.3122.1171.9-170.70000111C818 E819 Q823C818-S821 PolarHBondContact N-O 3.46Å; C818-S821 WeakPolarHBondContact O-CA 3.41Å; C818-S821 WeakPolarHBondContact O-CB 3.35Å; C818-S821 PolarHBondContact O-N 2.88Å; E819-S821 PolarHBondContact O-N 2.98Å; S821-Q823 PolarHBondContact OG-NE2 2.73Å; S821-Q823 VanDerWaalsContact OG-NE2 3.09Å
822K89.6Confident90.6Very high164 Ų16441.4 Ų41.471%0.71321%0.205SC*.EExtended strand (participates in β ladder)trans-80.9122.6174.1-173.3175.9-177.8174.60110.1L817L817-K822 HydrophobicContact CD1-CB 4.26Å
823Q90.9Very high90.6Very high44 Ų4441.4 Ų41.421%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-106.4143176.1-61-63.2-43.300109.8L727 S815 Y816 S821 Y825L727-Q823 HydrophobicContact CD1-CG 4.14Å; S815-Q823 WeakPolarHBondContact CA-O 3.14Å; S815-Q823 WeakPolarHBondContact CB-O 3.23Å; Y816-Q823 HydrophobicContact CD1-CB 4.39Å; Y816-Q823 HydrophobicContact CD2-CB 4.1Å; Y816-Q823 HydrophobicContact CD2-CG 4.34Å; Y816-Q823 HydrophobicContact CE1-CB 3.98Å; Y816-Q823 HydrophobicContact CE2-CB 3.65Å; Y816-Q823 HydrophobicContact CE2-CG 3.66Å; Y816-Q823 HydrophobicContact CG-CB 4.44Å; Y816-Q823 PolarHBondContact N-O 3.31Å; Y816-Q823 VanDerWaalsContact N-O 3.09Å; Y816-Q823 PolarHBondContact O-N 3.3Å; S821-Q823 PolarHBondContact OG-NE2 2.73Å; S821-Q823 VanDerWaalsContact OG-NE2 3.09Å; Q823-Y825 HydrophobicContact CB-CE2 4.29Å; Q823-Y825 PolarHBondContact OE1-OH 3.38Å; Q823-Y825 VanDerWaalsContact OE1-OH 3.1Å
824R92Very high90.7Very high167 Ų16740.9 Ų40.963%0.6320%0.202SC*.EExtended strand (participates in β ladder)trans-145.4134.8172.7-176.3177.8177.3177.61.1110.6D813 V814D813-R824 IonicContact OD1-CZ 2.97Å; D813-R824 IonicContact OD1-NE 3.14Å; D813-R824 PolarHBondContact OD1-NE 2.82Å; D813-R824 IonicContact OD1-NH2 3.43Å; D813-R824 PolarHBondContact OD1-NH2 2.76Å; V814-R824 CarbonylContact O-C 3.46Å; V814-R824 VanDerWaalsContact O-CA 3.25Å; V814-R824 WeakPolarHBondContact O-CA 3.37Å
825Y89Confident90.7Very high10 Ų1041.2 Ų41.24%0.03920%0.203CC..EExtended strand (participates in β ladder)trans-128.5139.1178.1-53.3-63.3000110.6M706 Y723 N725 I728 D813 V814 Y816 Q823M706-Y825 HydrophobicContact CE-CD1 4.12Å; M706-Y825 HydrophobicContact CE-CE1 4.43Å; M706-Y825 HydrophobicContact SD-CD1 3.7Å; Y723-Y825 AromaticContact CE1-CD1 3.86Å; Y723-Y825 HydrophobicContact CE1-CD1 3.86Å; Y723-Y825 HydrophobicContact CE1-CD2 4.21Å; Y723-Y825 AromaticContact CE1-CE1 3.98Å; Y723-Y825 HydrophobicContact CE1-CE1 3.98Å; Y723-Y825 HydrophobicContact CE1-CE2 4.27Å; Y723-Y825 HydrophobicContact CE1-CG 4Å; Y723-Y825 AromaticContact CZ-CD1 3.94Å; Y723-Y825 WeakPolarHBondContact OH-CE1 3.32Å; N725-Y825 PolarHBondContact ND2-OH 3.41Å; I728-Y825 HydrophobicContact CG2-CD2 4.27Å; I728-Y825 HydrophobicContact CG2-CE2 3.64Å; D813-Y825 WeakPolarHBondContact CA-O 3.47Å; V814-Y825 PolarHBondContact N-O 2.99Å; V814-Y825 PolarHBondContact O-N 3.34Å; Y816-Y825 HydrophobicContact CE1-CD2 4.3Å; Y816-Y825 AromaticContact CE1-CE2 3.71Å; Y816-Y825 HydrophobicContact CE1-CE2 3.71Å; Y816-Y825 AromaticContact CZ-CE2 3.98Å; Y816-Y825 PolarHBondContact OH-OH 3.23Å; Q823-Y825 HydrophobicContact CB-CE2 4.29Å; Q823-Y825 PolarHBondContact OE1-OH 3.38Å; Q823-Y825 VanDerWaalsContact OE1-OH 3.1Å
826A90Very high90.7Very high19 Ų1939.8 Ų39.816%0.15719%0.193CC..EExtended strand (participates in β ladder)trans-114.4110.717400000108.8M706 K811M706-A826 PolarHBondContact N-O 2.64Å; K811-A826 VanDerWaalsContact CE-CB 3.5Å
827L93.1Very high90.8Very high0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-122.6141.8-170.5-54.5177.6000110.9M706 N707 L722 Y723 I730 K811 L812 L829M706-L827 HydrophobicContact CB-CD2 4.09Å; N707-L827 HydrophobicContact CB-CD2 3.98Å; N707-L827 WeakPolarHBondContact OD1-CA 3.49Å; L722-L827 HydrophobicContact CD2-CB 4.24Å; L722-L827 HydrophobicContact CD2-CD1 4.08Å; Y723-L827 HydrophobicContact CD1-CD1 4.4Å; Y723-L827 HydrophobicContact CD1-CD2 4.47Å; Y723-L827 HydrophobicContact CD2-CD2 3.96Å; Y723-L827 HydrophobicContact CG-CD1 4.18Å; Y723-L827 HydrophobicContact CG-CD2 3.87Å; I730-L827 HydrophobicContact CD1-CD1 3.69Å; K811-L827 CarbonylContact C-O 3.52Å; K811-L827 WeakPolarHBondContact CA-O 3.42Å; L812-L827 PolarHBondContact N-O 2.83Å; L812-L827 PolarHBondContact O-N 3.45Å; L827-L829 PolarHBondContact O-N 3.27Å
828M91Very high90.8Very high10 Ų1041.7 Ų41.75%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-76.9120170.9-58.4167.377.100108.9Y705 N707 R708 F711 L722 I809Y705-M828 HydrophobicContact CD1-CB 4.44Å; Y705-M828 HydrophobicContact CD1-CG 3.37Å; Y705-M828 HydrophobicContact CD2-CG 3.69Å; Y705-M828 HydrophobicContact CD2-SD 3.85Å; Y705-M828 HydrophobicContact CE1-CG 3.9Å; Y705-M828 HydrophobicContact CE2-CG 4.19Å; Y705-M828 HydrophobicContact CG-CG 3.24Å; Y705-M828 HydrophobicContact CG-SD 3.8Å; N707-M828 PolarHBondContact ND2-N 3.18Å; N707-M828 PolarHBondContact ND2-O 3.03Å; N707-M828 PolarHBondContact OD1-N 3.49Å; R708-M828 HydrophobicContact CB-SD 4.46Å; R708-M828 HydrophobicContact CG-SD 4.31Å; F711-M828 HydrophobicContact CB-CB 4.4Å; F711-M828 HydrophobicContact CD1-CE 4.22Å; F711-M828 HydrophobicContact CD2-CB 3.54Å; F711-M828 HydrophobicContact CD2-CE 4.29Å; F711-M828 HydrophobicContact CE1-CE 4.24Å; F711-M828 HydrophobicContact CE2-CB 4.06Å; F711-M828 HydrophobicContact CE2-CE 4.28Å; F711-M828 HydrophobicContact CG-CB 4.15Å; F711-M828 HydrophobicContact CG-CE 4.25Å; F711-M828 HydrophobicContact CG-SD 4.42Å; F711-M828 HydrophobicContact CZ-CE 4.26Å; L722-M828 WeakPolarHBondContact CD1-O 3.43Å; I809-M828 HydrophobicContact CD1-CE 3.4Å; I809-M828 HydrophobicContact CG1-CE 4.37Å; I809-M828 HydrophobicContact CG2-CB 4.01Å; I809-M828 HydrophobicContact CG2-CE 3.68Å; I809-M828 HydrophobicContact CG2-CG 4.02Å
829L90.9Very high91Very high1 Ų146 Ų461%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-77.9133.5169.8-86.1167.9000109.8F711 I732 L743 V762 L798 V810 L812 L827 V831F711-L829 WeakPolarHBondContact CE2-O 3.38Å; I732-L829 HydrophobicContact CD1-CD2 3.71Å; L743-L829 HydrophobicContact CD2-CD2 4.36Å; V762-L829 HydrophobicContact CG1-CD1 4.03Å; V762-L829 HydrophobicContact CG2-CD1 3.68Å; L798-L829 HydrophobicContact CD2-CD1 3.86Å; V810-L829 HydrophobicContact CB-CB 4.01Å; V810-L829 HydrophobicContact CG1-CB 4.05Å; V810-L829 HydrophobicContact CG1-CD1 3.77Å; V810-L829 WeakPolarHBondContact O-CB 3.46Å; V810-L829 PolarHBondContact O-N 3Å; L812-L829 HydrophobicContact CB-CD1 3.75Å; L812-L829 HydrophobicContact CB-CD2 4.32Å; L812-L829 HydrophobicContact CB-CG 3.7Å; L812-L829 HydrophobicContact CD1-CD1 4.49Å; L812-L829 HydrophobicContact CD2-CD2 4.34Å; L827-L829 PolarHBondContact O-N 3.27Å; L829-V831 HydrophobicContact CB-CG2 4.31Å; L829-V831 PolarHBondContact O-N 3.05Å
830P90Very high91.5Very high1 Ų140.9 Ų40.91%0.00621%0.208CC..  trans-78.136-175.634.2-37.2000113.9F711 F714 I732 M734 T832F711-P830 HydrophobicContact CD2-CB 4.32Å; F711-P830 HydrophobicContact CE2-CB 4.44Å; F714-P830 HydrophobicContact CB-CB 3.24Å; F714-P830 HydrophobicContact CB-CG 3.81Å; F714-P830 HydrophobicContact CD1-CB 4.22Å; F714-P830 HydrophobicContact CD1-CG 3.8Å; F714-P830 HydrophobicContact CD2-CB 4.07Å; F714-P830 HydrophobicContact CD2-CG 3.94Å; F714-P830 HydrophobicContact CE1-CG 4.31Å; F714-P830 HydrophobicContact CE2-CG 4.44Å; F714-P830 HydrophobicContact CG-CB 3.62Å; F714-P830 HydrophobicContact CG-CG 3.59Å; I732-P830 HydrophobicContact CD1-CG 3.66Å; M734-P830 HydrophobicContact CE-CB 4.37Å; M734-P830 HydrophobicContact CE-CG 3.91Å; M734-P830 WeakPolarHBondContact CE-O 3.22Å; P830-T832 PolarHBondContact O-N 3.3Å; P830-T832 VanDerWaalsContact O-N 3.14Å; P830-T832 PolarHBondContact O-OG1 3.3Å
831V91.3Very high92.1Very high2 Ų242.4 Ų42.41%0.01221%0.21CC..  trans-82.890174.9-178.70000107.4L743 I777 V800 F806 V810 L829L743-V831 HydrophobicContact CD1-CG2 4.07Å; L743-V831 HydrophobicContact CD2-CG2 3.76Å; I777-V831 HydrophobicContact CD1-CG1 3.64Å; V800-V831 HydrophobicContact CB-CG1 4.49Å; V800-V831 HydrophobicContact CG1-CG1 3.74Å; V800-V831 HydrophobicContact CG2-CG1 4.23Å; V800-V831 HydrophobicContact CG2-CG2 4.2Å; F806-V831 WeakPolarHBondContact CE2-O 3.4Å; F806-V831 HydrophobicContact CZ-CG1 4.22Å; V810-V831 HydrophobicContact CB-CB 4.37Å; V810-V831 HydrophobicContact CG2-CB 3.93Å; V810-V831 HydrophobicContact CG2-CG1 4.2Å; L829-V831 HydrophobicContact CB-CG2 4.31Å; L829-V831 PolarHBondContact O-N 3.05Å
832T93.1Very high92.5Very high8 Ų841.3 Ų41.35%0.04920%0.199CC..  trans-120.7154.5-172.439.60000110.3F711 L715 P830 N834 K835 L944F711-T832 HydrophobicContact CE1-CG2 4.45Å; F711-T832 HydrophobicContact CE2-CG2 4.19Å; F711-T832 HydrophobicContact CZ-CG2 3.57Å; L715-T832 HydrophobicContact CD2-CG2 4.03Å; P830-T832 PolarHBondContact O-N 3.3Å; P830-T832 VanDerWaalsContact O-N 3.14Å; P830-T832 PolarHBondContact O-OG1 3.3Å; T832-N834 WeakPolarHBondContact CB-OD1 3.45Å; T832-N834 PolarHBondContact O-N 3.21Å; T832-N834 VanDerWaalsContact O-N 3.09Å; T832-N834 PolarHBondContact OG1-OD1 2.82Å; T832-K835 VanDerWaalsContact O-CB 3.31Å; T832-K835 WeakPolarHBondContact O-CB 3Å; T832-K835 WeakPolarHBondContact O-CG 3.19Å; T832-K835 PolarHBondContact O-N 3.14Å; T832-L944 HydrophobicContact CG2-CD1 4.43Å; T832-L944 HydrophobicContact CG2-CD2 4.24Å
833L93Very high92.7Very high0 Ų037.8 Ų37.80%019%0.188CC..G310 helixtrans-57.1-30.7-173.9-171.463.6000113.3P805 F806 K835 F836 V904 V937 L941P805-L833 HydrophobicContact CB-CD1 4.23Å; P805-L833 HydrophobicContact CB-CD2 4.28Å; F806-L833 HydrophobicContact CD1-CD1 4.19Å; F806-L833 HydrophobicContact CE1-CD1 4.23Å; L833-K835 PolarHBondContact O-N 3.18Å; L833-F836 PolarHBondContact O-N 3.18Å; L833-F836 VanDerWaalsContact O-N 3.15Å; L833-V904 HydrophobicContact CD1-CG1 3.81Å; L833-V904 HydrophobicContact CG-CG1 4.16Å; L833-V937 HydrophobicContact CD2-CG1 4.34Å; L833-V937 HydrophobicContact CD2-CG2 4.2Å; L833-L941 HydrophobicContact CB-CD2 4.34Å; L833-L941 HydrophobicContact CD2-CD2 4.38Å; L833-L941 HydrophobicContact CD2-CG 4.49Å; L833-L941 HydrophobicContact CG-CD2 4.42Å
834N94.3Very high92.7Very high6 Ų640.2 Ų40.23%0.03220%0.2CC..G310 helixtrans-67.5-15.6178.474.4-68.3000113.6L715 T832 F836 L837 F883 L941L715-N834 PolarHBondContact O-ND2 3.3Å; L715-N834 VanDerWaalsContact O-ND2 3.12Å; T832-N834 WeakPolarHBondContact CB-OD1 3.45Å; T832-N834 PolarHBondContact O-N 3.21Å; T832-N834 VanDerWaalsContact O-N 3.09Å; T832-N834 PolarHBondContact OG1-OD1 2.82Å; N834-F836 PolarHBondContact O-N 2.86Å; N834-L837 VanDerWaalsContact O-CB 3.28Å; N834-L837 WeakPolarHBondContact O-CB 3.2Å; N834-L837 PolarHBondContact O-N 3.22Å; N834-L837 VanDerWaalsContact O-N 3.14Å; N834-F883 HydrophobicContact CB-CD1 3.95Å; N834-F883 HydrophobicContact CB-CE1 3.36Å; N834-F883 HydrophobicContact CB-CE2 4Å; N834-F883 HydrophobicContact CB-CZ 3.38Å; N834-F883 PolarHBondContact ND2-O 3.49Å; N834-L941 HydrophobicContact CB-CD2 4.01Å
835K94Very high92.6Very high7 Ų735.6 Ų35.63%0.0320%0.197CC..G310 helixtrans-67-19.8173.3-59.1-51.3-171.8176.60113.3F714 R717 M734 S736 T832 L833F714-K835 WeakPolarHBondContact O-CE 2.99Å; F714-K835 PolarHBondContact O-NZ 3.48Å; R717-K835 PolarHBondContact O-NZ 3.34Å; R717-K835 VanDerWaalsContact O-NZ 3.15Å; M734-K835 HydrophobicContact CE-CD 4.46Å; M734-K835 HydrophobicContact CE-CG 4.39Å; M734-K835 HydrophobicContact SD-CB 4.25Å; M734-K835 HydrophobicContact SD-CD 3.47Å; M734-K835 WeakPolarHBondContact SD-CD 3.44Å; M734-K835 WeakPolarHBondContact SD-CE 3.43Å; M734-K835 HydrophobicContact SD-CG 3.62Å; S736-K835 WeakPolarHBondContact CB-O 3.02Å; S736-K835 PolarHBondContact OG-O 2.89Å; T832-K835 VanDerWaalsContact O-CB 3.31Å; T832-K835 WeakPolarHBondContact O-CB 3Å; T832-K835 WeakPolarHBondContact O-CG 3.19Å; T832-K835 PolarHBondContact O-N 3.14Å; L833-K835 PolarHBondContact O-N 3.18Å
836F95.5Very high92.7Very high1 Ų137.7 Ų37.70%0.00421%0.211CC..G310 helixtrans-103.410177-49.6-81.6000112.2Q739 C741 V800 C802 F806 L833 N834 V904 V905Q739-F836 WeakPolarHBondContact O-CD1 3.19Å; Q739-F836 WeakPolarHBondContact O-CE1 3.46Å; C741-F836 HydrophobicContact CB-CE1 3.61Å; C741-F836 HydrophobicContact CB-CZ 3.82Å; V800-F836 HydrophobicContact CG1-CZ 3.92Å; C802-F836 HydrophobicContact CB-CB 4.42Å; C802-F836 HydrophobicContact CB-CD1 3.52Å; C802-F836 HydrophobicContact CB-CD2 3.81Å; C802-F836 HydrophobicContact CB-CE1 3.58Å; C802-F836 HydrophobicContact CB-CE2 3.88Å; C802-F836 HydrophobicContact CB-CG 3.63Å; C802-F836 HydrophobicContact CB-CZ 3.76Å; F806-F836 HydrophobicContact CE1-CD2 4.09Å; F806-F836 AromaticContact CE1-CE2 3.68Å; F806-F836 HydrophobicContact CE1-CE2 3.68Å; F806-F836 AromaticContact CZ-CE2 3.95Å; F806-F836 HydrophobicContact CZ-CE2 3.95Å; L833-F836 PolarHBondContact O-N 3.18Å; L833-F836 VanDerWaalsContact O-N 3.15Å; N834-F836 PolarHBondContact O-N 2.86Å; F836-V904 WeakPolarHBondContact O-CA 3.5Å; F836-V905 PolarHBondContact O-N 2.98Å
837L95.3Very high92.9Very high12 Ų1236.8 Ų36.86%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-86.7116.7175.4-177.669.6000109.6N834 F883 F885 V904 V913N834-L837 VanDerWaalsContact O-CB 3.28Å; N834-L837 WeakPolarHBondContact O-CB 3.2Å; N834-L837 PolarHBondContact O-N 3.22Å; N834-L837 VanDerWaalsContact O-N 3.14Å; L837-F883 HydrophobicContact CD2-CD1 4.43Å; L837-F885 HydrophobicContact CD2-CD1 4.14Å; L837-F885 HydrophobicContact CD2-CD2 3.63Å; L837-F885 HydrophobicContact CD2-CE1 4.08Å; L837-F885 HydrophobicContact CD2-CE2 3.54Å; L837-F885 HydrophobicContact CD2-CG 3.93Å; L837-F885 HydrophobicContact CD2-CZ 3.78Å; L837-V904 HydrophobicContact CB-CG2 4.44Å; L837-V904 HydrophobicContact CD1-CG2 3.7Å; L837-V913 HydrophobicContact CD1-CB 4.5Å; L837-V913 HydrophobicContact CD1-CG2 4.43Å
838Q94.1Very high92.9Very high83 Ų8339.4 Ų39.439%0.38822%0.215SC..EExtended strand (participates in β ladder)trans-94.9139.3172.1-67.9-173.8-33.600110.7G902 I903 V905Q838-G902 CarbonylContact O-C 3.55Å; Q838-G902 WeakPolarHBondContact O-CA 3.19Å; Q838-I903 PolarHBondContact N-O 3.45Å; Q838-I903 PolarHBondContact O-N 2.94Å; Q838-V905 HydrophobicContact CG-CG2 4.12Å
839P96.2Very high93Very high95 Ų9542.8 Ų42.862%0.61724%0.239SC*.EExtended strand (participates in β ladder)trans-66141.5176.928.5-34.8000110.5
840A93.9Very high93Very high17 Ų1749.1 Ų49.114%0.1426%0.263CS..  trans-127.4141.5176.200000110.5A901 I903A840-A901 HydrophobicContact CB-CB 4.28Å; A840-A901 PolarHBondContact N-O 3.29Å; A840-I903 HydrophobicContact CB-CD1 4.36Å; A840-I903 HydrophobicContact CB-CG1 4.19Å
841E92.9Very high93.2Very high184 Ų18450 Ų5086%0.8627%0.267SS*.  trans-103.8145.5174.5-66.9-170.5172.200111
842M92.8Very high93.2Very high37 Ų3757.3 Ų57.318%0.18230%0.298CS..  trans-160.5159.2171.561.7-16969.700110.4T846 F847 L888 A901 L914M842-T846 HydrophobicContact CB-CG2 4.22Å; M842-F847 HydrophobicContact CG-CB 4.06Å; M842-F847 HydrophobicContact CG-CD2 4.44Å; M842-F847 HydrophobicContact SD-CB 3.91Å; M842-F847 HydrophobicContact SD-CD2 3.88Å; M842-F847 HydrophobicContact SD-CG 4.38Å; M842-L888 HydrophobicContact CG-CD1 3.63Å; M842-L888 HydrophobicContact SD-CD1 4.35Å; M842-A901 HydrophobicContact CE-CB 3.46Å; M842-A901 VanDerWaalsContact CE-CB 3.46Å; M842-A901 HydrophobicContact SD-CB 4.29Å; M842-L914 HydrophobicContact CE-CD2 3.85Å; M842-L914 HydrophobicContact SD-CD2 3.89Å
843D92.8Very high92.9Very high89 Ų8962.6 Ų62.648%0.47633%0.326SS..  trans-82.2168174.971.4-46.8000112.1A845 T846 F847D843-A845 VanDerWaalsContact C-N 3.33Å; D843-A845 PolarHBondContact O-N 3.07Å; D843-T846 PolarHBondContact O-N 2.95Å; D843-T846 WeakPolarHBondContact OD1-CB 3.29Å; D843-T846 PolarHBondContact OD1-N 3.06Å; D843-T846 PolarHBondContact OD1-OG1 3.38Å; D843-F847 PolarHBondContact O-N 3.09Å
844Q91.1Very high92.6Very high96 Ų9663.2 Ų63.245%0.44933%0.329SS..Hα-helixtrans-58.4-41.5-176.4-173.1-177.842.600112.9F847 F848 I891Q844-F847 PolarHBondContact O-N 3.12Å; Q844-F848 HydrophobicContact CG-CD2 3.84Å; Q844-F848 HydrophobicContact CG-CE2 3.86Å; Q844-F848 WeakPolarHBondContact O-CD2 3.23Å; Q844-F848 PolarHBondContact O-N 2.88Å; Q844-F848 VanDerWaalsContact O-N 3.1Å; Q844-I891 HydrophobicContact CB-CG1 4.41Å; Q844-I891 HydrophobicContact CG-CG2 4.2Å; Q844-I891 PolarHBondContact NE2-O 3.43Å
845A89.9Confident92.1Very high70 Ų7065.9 Ų65.958%0.57935%0.348SS*.Hα-helixtrans-66.5-44.6-178.600000111.3D843 S849D843-A845 VanDerWaalsContact C-N 3.33Å; D843-A845 PolarHBondContact O-N 3.07Å; A845-S849 VanDerWaalsContact O-CB 3.24Å; A845-S849 WeakPolarHBondContact O-CB 3.4Å; A845-S849 PolarHBondContact O-N 3.17Å
846T91.8Very high91.4Very high54 Ų5470.4 Ų70.433%0.33137%0.369SS..Hα-helixtrans-64.9-43.7176.2-59.50000111.8M842 D843 S849 R850M842-T846 HydrophobicContact CB-CG2 4.22Å; D843-T846 PolarHBondContact O-N 2.95Å; D843-T846 WeakPolarHBondContact OD1-CB 3.29Å; D843-T846 PolarHBondContact OD1-N 3.06Å; D843-T846 PolarHBondContact OD1-OG1 3.38Å; T846-S849 PolarHBondContact O-N 2.58Å; T846-R850 HydrophobicContact CG2-CG 4.47Å; T846-R850 WeakPolarHBondContact O-CG 3.48Å; T846-R850 PolarHBondContact O-N 2.93Å
847F94.8Very high90.5Very high0 Ų076.8 Ų76.80%041%0.411CS..Hα-helixtrans-56.9-55.1178.1-179.4-91.2000111.4M842 D843 Q844 S849 R850 W851 L888 I891 V899 L914M842-F847 HydrophobicContact CG-CB 4.06Å; M842-F847 HydrophobicContact CG-CD2 4.44Å; M842-F847 HydrophobicContact SD-CB 3.91Å; M842-F847 HydrophobicContact SD-CD2 3.88Å; M842-F847 HydrophobicContact SD-CG 4.38Å; D843-F847 PolarHBondContact O-N 3.09Å; Q844-F847 PolarHBondContact O-N 3.12Å; F847-S849 VanDerWaalsContact C-N 3.34Å; F847-S849 PolarHBondContact O-N 3.37Å; F847-R850 PolarHBondContact O-N 3.12Å; F847-W851 HydrophobicContact CE1-CB 4.3Å; F847-W851 HydrophobicContact CE1-CD2 4.1Å; F847-W851 AromaticContact CE1-CE3 3.92Å; F847-W851 HydrophobicContact CE1-CE3 3.92Å; F847-W851 HydrophobicContact CE1-CG 4.27Å; F847-W851 HydrophobicContact CE2-CE3 4.28Å; F847-W851 HydrophobicContact CZ-CD2 4.14Å; F847-W851 AromaticContact CZ-CE3 3.49Å; F847-W851 HydrophobicContact CZ-CE3 3.49Å; F847-W851 VanDerWaalsContact CZ-CE3 3.49Å; F847-W851 AromaticContact CZ-CZ3 3.9Å; F847-W851 HydrophobicContact CZ-CZ3 3.9Å; F847-W851 VanDerWaalsContact O-CB 3.23Å; F847-W851 WeakPolarHBondContact O-CB 3.45Å; F847-W851 PolarHBondContact O-N 3.26Å; F847-L888 HydrophobicContact CD2-CD1 3.72Å; F847-L888 HydrophobicContact CE2-CD1 4.27Å; F847-I891 HydrophobicContact CB-CD1 3.78Å; F847-I891 HydrophobicContact CB-CG2 4Å; F847-I891 HydrophobicContact CD1-CG2 3.57Å; F847-I891 HydrophobicContact CD2-CD1 4.44Å; F847-I891 HydrophobicContact CE1-CG2 4.24Å; F847-I891 HydrophobicContact CG-CD1 4.12Å; F847-I891 HydrophobicContact CG-CG2 3.82Å; F847-V899 HydrophobicContact CD1-CG1 4.31Å; F847-V899 HydrophobicContact CD2-CG1 3.9Å; F847-V899 HydrophobicContact CE1-CG1 3.81Å; F847-V899 HydrophobicContact CE2-CG1 3.33Å; F847-V899 HydrophobicContact CG-CG1 4.37Å; F847-V899 HydrophobicContact CZ-CG1 3.29Å; F847-L914 HydrophobicContact CD2-CD1 4.38Å; F847-L914 HydrophobicContact CD2-CD2 3.95Å; F847-L914 HydrophobicContact CE2-CB 3.94Å; F847-L914 HydrophobicContact CE2-CD1 4.21Å; F847-L914 HydrophobicContact CE2-CD2 3.88Å; F847-L914 HydrophobicContact CE2-CG 4.23Å; F847-L914 HydrophobicContact CZ-CB 4.37Å
848F93.2Very high89.7Confident54 Ų5477.3 Ų77.324%0.23742%0.419CS..Hα-helixtrans-71-28.4-176.7-77.7-64.8000113.7Q844 W851 K852 I891Q844-F848 HydrophobicContact CG-CD2 3.84Å; Q844-F848 HydrophobicContact CG-CE2 3.86Å; Q844-F848 WeakPolarHBondContact O-CD2 3.23Å; Q844-F848 PolarHBondContact O-N 2.88Å; Q844-F848 VanDerWaalsContact O-N 3.1Å; F848-W851 HydrophobicContact CD1-CB 4.5Å; F848-K852 WeakPolarHBondContact O-CG 3.23Å; F848-K852 PolarHBondContact O-N 3.46Å; F848-I891 HydrophobicContact CD2-CG2 4.38Å; F848-I891 HydrophobicContact CE2-CG2 3.84Å; F848-I891 WeakPolarHBondContact CE2-O 3.24Å; F848-I891 HydrophobicContact CZ-CG2 4.3Å
849S91.9Very high89.3Confident81 Ų8177.3 Ų77.357%0.56642%0.416SS*.Hα-helixtrans-61.4-51.7170.7-178.80000110.8A845 T846 F847 K852 L853A845-S849 VanDerWaalsContact O-CB 3.24Å; A845-S849 WeakPolarHBondContact O-CB 3.4Å; A845-S849 PolarHBondContact O-N 3.17Å; T846-S849 PolarHBondContact O-N 2.58Å; F847-S849 VanDerWaalsContact C-N 3.34Å; F847-S849 PolarHBondContact O-N 3.37Å; S849-K852 PolarHBondContact O-N 2.96Å; S849-L853 PolarHBondContact O-N 3.42Å; S849-L853 VanDerWaalsContact O-N 3.15Å
850R91.8Very high89Confident134 Ų13476 Ų7651%0.50640%0.401SS..Hα-helixtrans-66.6-38.7176.8-70-173175.8-158.70.6112.3T846 F847 K852 L853 L854 L914T846-R850 HydrophobicContact CG2-CG 4.47Å; T846-R850 WeakPolarHBondContact O-CG 3.48Å; T846-R850 PolarHBondContact O-N 2.93Å; F847-R850 PolarHBondContact O-N 3.12Å; R850-K852 VanDerWaalsContact C-N 3.35Å; R850-K852 PolarHBondContact O-N 3.27Å; R850-L853 PolarHBondContact O-N 3.27Å; R850-L853 VanDerWaalsContact O-N 3.17Å; R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 3.44Å; R850-L914 HydrophobicContact CB-CD1 3.86Å
851W93.6Very high88.9Confident21 Ų2176.2 Ų76.28%0.0840%0.401CS..Hα-helixtrans-54.9-51.5176-169.9-106.6000110.1F847 F848 L853 L854 S855 L914 R916 T929 R931F847-W851 HydrophobicContact CE1-CB 4.3Å; F847-W851 HydrophobicContact CE1-CD2 4.1Å; F847-W851 AromaticContact CE1-CE3 3.92Å; F847-W851 HydrophobicContact CE1-CE3 3.92Å; F847-W851 HydrophobicContact CE1-CG 4.27Å; F847-W851 HydrophobicContact CE2-CE3 4.28Å; F847-W851 HydrophobicContact CZ-CD2 4.14Å; F847-W851 AromaticContact CZ-CE3 3.49Å; F847-W851 HydrophobicContact CZ-CE3 3.49Å; F847-W851 VanDerWaalsContact CZ-CE3 3.49Å; F847-W851 AromaticContact CZ-CZ3 3.9Å; F847-W851 HydrophobicContact CZ-CZ3 3.9Å; F847-W851 VanDerWaalsContact O-CB 3.23Å; F847-W851 WeakPolarHBondContact O-CB 3.45Å; F847-W851 PolarHBondContact O-N 3.26Å; F848-W851 HydrophobicContact CD1-CB 4.5Å; W851-L853 PolarHBondContact O-N 2.97Å; W851-L854 PolarHBondContact O-N 2.89Å; W851-S855 PolarHBondContact O-N 3.41Å; W851-L914 HydrophobicContact CB-CD1 4.3Å; W851-L914 HydrophobicContact CE3-CB 3.63Å; W851-L914 HydrophobicContact CE3-CD1 3.94Å; W851-L914 HydrophobicContact CE3-CG 4.46Å; W851-L914 HydrophobicContact CZ3-CB 3.67Å; W851-R916 HydrophobicContact CH2-CB 3.39Å; W851-R916 HydrophobicContact CZ2-CB 3.75Å; W851-R916 HydrophobicContact CZ3-CB 4.05Å; W851-T929 HydrophobicContact CH2-CG2 3.7Å; W851-T929 HydrophobicContact CZ2-CG2 3.65Å; W851-R931 VanDerWaalsContact C-NH1 3.33Å; W851-R931 HydrophobicContact CE3-CB 4.43Å; W851-R931 HydrophobicContact CE3-CG 4.43Å; W851-R931 HydrophobicContact CH2-CG 4.22Å; W851-R931 HydrophobicContact CZ3-CB 4.24Å; W851-R931 HydrophobicContact CZ3-CG 4.2Å; W851-R931 PolarHBondContact O-NH1 2.92Å
852K90.4Very high88.9Confident155 Ų15572.1 Ų72.167%0.67438%0.382SS*.Hα-helixtrans-61.2-40.5177-73.9175.5-177177.60112.7F848 S849 R850 L854 S855F848-K852 WeakPolarHBondContact O-CG 3.23Å; F848-K852 PolarHBondContact O-N 3.46Å; S849-K852 PolarHBondContact O-N 2.96Å; R850-K852 VanDerWaalsContact C-N 3.35Å; R850-K852 PolarHBondContact O-N 3.27Å; K852-L854 PolarHBondContact O-N 3.06Å; K852-S855 PolarHBondContact O-N 3.45Å; K852-S855 PolarHBondContact O-OG 3.18Å
853L87.3Confident88.8Confident119 Ų11973.2 Ų73.262%0.62339%0.386SS*.Hα-helixtrans-63.9-30.6178.9-170.866.5000112.7S849 R850 W851S849-L853 PolarHBondContact O-N 3.42Å; S849-L853 VanDerWaalsContact O-N 3.15Å; R850-L853 PolarHBondContact O-N 3.27Å; R850-L853 VanDerWaalsContact O-N 3.17Å; W851-L853 PolarHBondContact O-N 2.97Å
854L88Confident88.7Confident13 Ų1373.7 Ų73.77%0.06839%0.387CS..THydrogen-bonded Turntrans-91.57.2-179.1-63.3173.4000114R850 W851 K852 Q856 R859 L914 R931 T933R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 3.44Å; W851-L854 PolarHBondContact O-N 2.89Å; K852-L854 PolarHBondContact O-N 3.06Å; L854-Q856 PolarHBondContact O-N 2.72Å; L854-Q856 VanDerWaalsContact O-N 3.15Å; L854-R859 WeakPolarHBondContact O-CB 3.13Å; L854-L914 HydrophobicContact CD1-CD1 4.07Å; L854-L914 HydrophobicContact CD1-CG 4.32Å; L854-R931 HydrophobicContact CB-CB 3.83Å; L854-R931 HydrophobicContact CB-CG 4.4Å; L854-R931 HydrophobicContact CD1-CB 4.21Å; L854-T933 HydrophobicContact CD2-CG2 3.8Å
855S83.8Confident88.6Confident62 Ų6271 Ų7143%0.43438%0.376SS..  trans-79.414.7-179.377.40000114.5W851 K852W851-S855 PolarHBondContact O-N 3.41Å; K852-S855 PolarHBondContact O-N 3.45Å; K852-S855 PolarHBondContact O-OG 3.18Å
856Q78.9Confident88.3Confident101 Ų10171.7 Ų71.747%0.47238%0.375SS..SBendtrans-79.3147.3-179.8-65.4-177.9-10.700110.5L854 G858 R859L854-Q856 PolarHBondContact O-N 2.72Å; L854-Q856 VanDerWaalsContact O-N 3.15Å; Q856-G858 PolarHBondContact O-N 3.39Å; Q856-R859 WeakPolarHBondContact O-CB 3.45Å; Q856-R859 PolarHBondContact O-N 2.92Å
857P76.5Confident88Confident136 Ų13670.8 Ų70.888%0.88337%0.37SS*.THydrogen-bonded Turntrans-52.5135.6173.4-2433000111.4R859P857-R859 VanDerWaalsContact C-N 3.3Å; P857-R859 PolarHBondContact O-N 3.32Å
858G77.3Confident87.4Confident23 Ų2376.5 Ų76.524%0.23740%0.4CS..THydrogen-bonded Turntrans81.7-4.2-174.600000114.7Q856 E935Q856-G858 PolarHBondContact O-N 3.39Å; G858-E935 WeakPolarHBondContact O-CA 3.48Å; G858-E935 WeakPolarHBondContact O-CB 3.43Å; G858-E935 VanDerWaalsContact O-CG 3.26Å; G858-E935 WeakPolarHBondContact O-CG 3.42Å; G858-E935 PolarHBondContact O-N 3.31Å
859R85.9Confident86.9Confident83 Ų8379.4 Ų79.431%0.31341%0.413SS..THydrogen-bonded Turntrans-108-7.7172-69-173.2-178.3177.11.1113.6L854 Q856 P857 R931 S932L854-R859 WeakPolarHBondContact O-CB 3.13Å; Q856-R859 WeakPolarHBondContact O-CB 3.45Å; Q856-R859 PolarHBondContact O-N 2.92Å; P857-R859 VanDerWaalsContact C-N 3.3Å; P857-R859 PolarHBondContact O-N 3.32Å; R859-R931 CarbonylContact O-C 3.58Å; R859-R931 VanDerWaalsContact O-CA 3.23Å; R859-R931 WeakPolarHBondContact O-CA 3.26Å; R859-S932 WeakPolarHBondContact CA-O 3.34Å; R859-S932 VanDerWaalsContact CB-O 3.23Å; R859-S932 WeakPolarHBondContact CB-O 3.3Å; R859-S932 WeakPolarHBondContact CG-O 3.45Å; R859-S932 PolarHBondContact O-N 2.77Å
860E90.7Very high86.4Confident66 Ų6678.2 Ų78.231%0.30840%0.404SS..EExtended strand (participates in β ladder)trans-120.6135.6-179.4179.5179.312600110T929 I930 R931E860-T929 HydrophobicContact CG-CG2 3.88Å; E860-I930 WeakPolarHBondContact CA-O 3.43Å; E860-R931 HydrophobicContact CB-CG 4Å; E860-R931 HydrophobicContact CG-CG 4Å; E860-R931 IonicContact OE2-CZ 3.83Å; E860-R931 IonicContact OE2-NE 2.63Å; E860-R931 PolarHBondContact OE2-NE 3.18Å; E860-R931 IonicContact OE2-NH2 3.09Å; E860-R931 PolarHBondContact OE2-NH2 3.07Å
861C91.5Very high86Confident22 Ų2272.9 Ų72.915%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-123.2121.1163.7-171.70000108.7T929 I930 S938 A942C861-T929 WeakPolarHBondContact O-CA 3.4Å; C861-I930 PolarHBondContact N-O 3.48Å; C861-I930 PolarHBondContact O-N 3.11Å; C861-S938 WeakPolarHBondContact CB-O 3.25Å; C861-A942 HydrophobicContact CB-CB 4.14Å
862Q92.9Very high85.7Confident98 Ų9877.7 Ų77.746%0.45841%0.409SS..EExtended strand (participates in β ladder)trans-115.4135.4176.1-175.1172.975.600110I864 C927 L928 T929Q862-I864 HydrophobicContact CG-CG1 4.41Å; Q862-C927 VanDerWaalsContact CD-SG 3.6Å; Q862-C927 PolarHBondContact NE2-SG 3.29Å; Q862-L928 CarbonylContact C-O 3.6Å; Q862-L928 VanDerWaalsContact CA-O 3.31Å; Q862-L928 WeakPolarHBondContact CA-O 3.29Å; Q862-T929 HydrophobicContact CB-CG2 4.48Å; Q862-T929 PolarHBondContact NE2-OG1 2.9Å
863K91.2Very high85.5Confident60 Ų6072 Ų7226%0.26139%0.387SS..EExtended strand (participates in β ladder)trans-129126179-69.4-68.2-167157.70109.2C927 L928 A942 E946K863-C927 CarbonylContact O-C 3.59Å; K863-C927 WeakPolarHBondContact O-CA 3.46Å; K863-L928 HydrophobicContact CB-CB 4.44Å; K863-L928 PolarHBondContact N-O 2.72Å; K863-L928 PolarHBondContact O-N 3.41Å; K863-A942 HydrophobicContact CG-CB 4.42Å; K863-E946 IonicContact NZ-OE2 3.88Å
864I91.2Very high85.6Confident99 Ų9969 Ų6951%0.50838%0.376SS..EExtended strand (participates in β ladder)trans-121.5101.7177.4-56.6174.9000108.1Q862 M925 Y926 C927Q862-I864 HydrophobicContact CG-CG1 4.41Å; I864-M925 HydrophobicContact CG2-CE 4.11Å; I864-Y926 VanDerWaalsContact CA-O 3.29Å; I864-Y926 WeakPolarHBondContact CA-O 3.5Å; I864-C927 HydrophobicContact CG1-CB 4.09Å
865N87.5Confident85.7Confident41 Ų4171.7 Ų71.722%0.21939%0.387CS..EExtended strand (participates in β ladder)trans-136.2160.4-170.3-68.2-28.8000111.7M925 Y926 E946N865-M925 VanDerWaalsContact C-CE 3.46Å; N865-M925 WeakPolarHBondContact O-CA 3.41Å; N865-Y926 HydrophobicContact CB-CE1 3.84Å; N865-Y926 PolarHBondContact N-O 2.74Å; N865-Y926 WeakPolarHBondContact O-CD1 3.37Å; N865-Y926 WeakPolarHBondContact O-CE1 3.28Å; N865-Y926 PolarHBondContact O-N 2.68Å; N865-E946 VanDerWaalsContact ND2-CD 3.34Å; N865-E946 PolarHBondContact ND2-OE1 3.46Å
866P84.5Confident86.1Confident83 Ų8368.8 Ų68.854%0.53937%0.367SS..  trans-68.1144163.129.6-33.3000109.8M925P866-M925 HydrophobicContact CB-SD 3.93Å; P866-M925 HydrophobicContact CG-SD 4.46Å; P866-M925 VanDerWaalsContact N-SD 3.37Å
867P85Confident86.8Confident36 Ų3667.4 Ų67.423%0.23436%0.357CS..  trans-70.2144178.434.4-39.6000111.4F869 L871 K924 Y926 I949P867-F869 WeakPolarHBondContact CB-O 3.48Å; P867-L871 HydrophobicContact CB-CD1 4.25Å; P867-L871 HydrophobicContact CB-CD2 3.78Å; P867-L871 HydrophobicContact CB-CG 3.73Å; P867-L871 HydrophobicContact CG-CD1 3.68Å; P867-L871 HydrophobicContact CG-CD2 4.17Å; P867-L871 HydrophobicContact CG-CG 3.66Å; P867-K924 WeakPolarHBondContact CD-O 3.44Å; P867-Y926 HydrophobicContact CB-CD1 4.31Å; P867-I949 CarbonylContact C-O 3.59Å; P867-I949 WeakPolarHBondContact CA-O 3.42Å; P867-I949 WeakPolarHBondContact CB-O 3.39Å
868L81.4Confident87.6Confident119 Ų11964.6 Ų64.662%0.62334%0.338SS*.SBendtrans-79.5-27.7166.5-64.1171000111.7E946 I949L868-E946 WeakPolarHBondContact CD1-O 3.36Å; L868-I949 WeakPolarHBondContact CB-OXT 3.42Å; L868-I949 VanDerWaalsContact N-C 3.27Å; L868-I949 PolarHBondContact N-O 3.36Å; L868-I949 PolarHBondContact N-OXT 3.37Å
869F83Confident88.3Confident116 Ų11664.2 Ų64.251%0.50933%0.331SS..SBendtrans-128.3-157.5-175.3-57.1-81.8000111.7P867 F875 L948 I949P867-F869 WeakPolarHBondContact CB-O 3.48Å; F869-F875 HydrophobicContact CB-CE1 3.67Å; F869-F875 HydrophobicContact CB-CZ 3.65Å; F869-F875 HydrophobicContact CG-CZ 4.14Å; F869-L948 VanDerWaalsContact CD2-O 3.27Å; F869-L948 WeakPolarHBondContact CD2-O 3.26Å; F869-I949 PolarHBondContact N-O 2.69Å
870S81.9Confident88.7Confident55 Ų5560.3 Ų60.339%0.38532%0.317SS..  trans-73.6136.3-177.7-174.40000112E872 F875S870-E872 PolarHBondContact O-N 3.11Å; S870-E872 WeakPolarHBondContact OG-CB 3.38Å; S870-E872 PolarHBondContact OG-N 3.32Å; S870-F875 WeakPolarHBondContact O-CD1 3.32Å
871L84.3Confident88.8Confident23 Ų2363.7 Ų63.712%0.1233%0.33CS..  trans-86.39.8169.4-73.5174.4000113.3P867 T873 L876 P919 Y926P867-L871 HydrophobicContact CB-CD1 4.25Å; P867-L871 HydrophobicContact CB-CD2 3.78Å; P867-L871 HydrophobicContact CB-CG 3.73Å; P867-L871 HydrophobicContact CG-CD1 3.68Å; P867-L871 HydrophobicContact CG-CD2 4.17Å; P867-L871 HydrophobicContact CG-CG 3.66Å; L871-T873 PolarHBondContact O-N 3.2Å; L871-L876 HydrophobicContact CD2-CD1 4.39Å; L871-P919 HydrophobicContact CD2-CB 4.14Å; L871-Y926 HydrophobicContact CD2-CD1 4.37Å
872E86.8Confident89Confident122 Ų12266.2 Ų66.257%0.5734%0.342SS*.  trans-63.6129.1176.6-159.9-170.4152.500110.3S870 S874 F875 L876S870-E872 PolarHBondContact O-N 3.11Å; S870-E872 WeakPolarHBondContact OG-CB 3.38Å; S870-E872 PolarHBondContact OG-N 3.32Å; E872-S874 WeakPolarHBondContact CG-OG 3.41Å; E872-S874 PolarHBondContact O-N 3.09Å; E872-S874 VanDerWaalsContact O-N 3.12Å; E872-S874 PolarHBondContact OE1-OG 3.12Å; E872-F875 HydrophobicContact CB-CB 4.46Å; E872-F875 WeakPolarHBondContact O-CB 3.44Å; E872-F875 PolarHBondContact O-N 3.29Å; E872-L876 PolarHBondContact O-N 3.4Å
873T86.5Confident89.1Confident35 Ų3561.7 Ų61.722%0.21532%0.321CS..Hα-helixtrans-57-33.4-174.5-52.10000112.7L871 L876 R877 V898L871-T873 PolarHBondContact O-N 3.2Å; T873-L876 PolarHBondContact O-N 2.8Å; T873-R877 HydrophobicContact CG2-CG 4.41Å; T873-R877 VanDerWaalsContact O-CB 3.31Å; T873-R877 WeakPolarHBondContact O-CB 3.34Å; T873-R877 VanDerWaalsContact O-CG 3.24Å; T873-R877 WeakPolarHBondContact O-CG 3.43Å; T873-R877 PolarHBondContact O-N 3.02Å; T873-V898 HydrophobicContact CG2-CG2 4.36Å
874S88Confident89.2Confident57 Ų5759.6 Ų59.640%0.39932%0.317SS..Hα-helixtrans-61.2-45.217556.90000112.2E872 T878E872-S874 WeakPolarHBondContact CG-OG 3.41Å; E872-S874 PolarHBondContact O-N 3.09Å; E872-S874 VanDerWaalsContact O-N 3.12Å; E872-S874 PolarHBondContact OE1-OG 3.12Å; S874-T878 WeakPolarHBondContact O-CB 3.28Å; S874-T878 PolarHBondContact O-N 2.78Å; S874-T878 VanDerWaalsContact O-N 3.1Å; S874-T878 PolarHBondContact O-OG1 3.22Å
875F90.5Very high89.4Confident69 Ų6955 Ų5530%0.30329%0.293SS..Hα-helixtrans-65.1-50.7175.3176-95.3000110.9F869 S870 E872 R877 T878 T879F869-F875 HydrophobicContact CB-CE1 3.67Å; F869-F875 HydrophobicContact CB-CZ 3.65Å; F869-F875 HydrophobicContact CG-CZ 4.14Å; S870-F875 WeakPolarHBondContact O-CD1 3.32Å; E872-F875 HydrophobicContact CB-CB 4.46Å; E872-F875 WeakPolarHBondContact O-CB 3.44Å; E872-F875 PolarHBondContact O-N 3.29Å; F875-R877 VanDerWaalsContact C-N 3.32Å; F875-R877 PolarHBondContact O-N 2.76Å; F875-T878 PolarHBondContact O-N 3.36Å; F875-T878 VanDerWaalsContact O-N 3.11Å; F875-T879 WeakPolarHBondContact O-CB 3.34Å; F875-T879 PolarHBondContact O-N 3.23Å; F875-T879 PolarHBondContact O-OG1 3.16Å; F875-T879 VanDerWaalsContact O-OG1 3.11Å
876L91.9Very high89.8Confident0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-60-41-179.1-62.5-178.9000112.4L871 E872 T873 T880 V898 L917 P919 I949L871-L876 HydrophobicContact CD2-CD1 4.39Å; E872-L876 PolarHBondContact O-N 3.4Å; T873-L876 PolarHBondContact O-N 2.8Å; L876-T880 VanDerWaalsContact O-CB 3.27Å; L876-T880 WeakPolarHBondContact O-CB 3.21Å; L876-T880 PolarHBondContact O-N 3.11Å; L876-T880 PolarHBondContact O-OG1 3.33Å; L876-V898 HydrophobicContact CB-CG2 3.99Å; L876-L917 HydrophobicContact CB-CD2 3.98Å; L876-L917 HydrophobicContact CD1-CD2 4.03Å; L876-L917 HydrophobicContact CD2-CD2 4.07Å; L876-L917 HydrophobicContact CG-CD2 4.24Å; L876-P919 HydrophobicContact CD1-CB 3.87Å; L876-P919 HydrophobicContact CD1-CG 3.96Å; L876-I949 HydrophobicContact CD2-CG1 4.41Å; L876-I949 HydrophobicContact CD2-CG2 3.93Å
877R93.7Very high90.4Very high72 Ų7251.6 Ų51.627%0.27227%0.272SS..Hα-helixtrans-60.3-49.4173.1-80.1176.9157.5-104.4-12.2111.7T873 F875 T879 T880 K881 L887 D889 V898T873-R877 HydrophobicContact CG2-CG 4.41Å; T873-R877 VanDerWaalsContact O-CB 3.31Å; T873-R877 WeakPolarHBondContact O-CB 3.34Å; T873-R877 VanDerWaalsContact O-CG 3.24Å; T873-R877 WeakPolarHBondContact O-CG 3.43Å; T873-R877 PolarHBondContact O-N 3.02Å; F875-R877 VanDerWaalsContact C-N 3.32Å; F875-R877 PolarHBondContact O-N 2.76Å; R877-T879 PolarHBondContact O-N 2.93Å; R877-T880 PolarHBondContact O-N 3.43Å; R877-K881 WeakPolarHBondContact O-CB 3.4Å; R877-K881 PolarHBondContact O-N 3.02Å; R877-L887 HydrophobicContact CB-CD1 3.95Å; R877-L887 HydrophobicContact CG-CD1 4.27Å; R877-D889 IonicContact CZ-OD1 3.19Å; R877-D889 IonicContact NH1-OD1 2.85Å; R877-D889 PolarHBondContact NH1-OD1 2.74Å; R877-D889 IonicContact NH1-OD2 2.8Å; R877-D889 IonicContact NH2-OD1 3.99Å; R877-D889 PolarHBondContact NH2-OD1 2.78Å; R877-V898 HydrophobicContact CG-CG1 4.16Å; R877-V898 HydrophobicContact CG-CG2 3.87Å
878T93.2Very high90.8Very high78 Ų7850.5 Ų50.548%0.47926%0.264SS..Hα-helixtrans-61.9-45.6-179.2-56.70000111.2S874 F875 K881 N882S874-T878 WeakPolarHBondContact O-CB 3.28Å; S874-T878 PolarHBondContact O-N 2.78Å; S874-T878 VanDerWaalsContact O-N 3.1Å; S874-T878 PolarHBondContact O-OG1 3.22Å; F875-T878 PolarHBondContact O-N 3.36Å; F875-T878 VanDerWaalsContact O-N 3.11Å; T878-K881 PolarHBondContact O-N 3.17Å; T878-N882 VanDerWaalsContact O-CB 3.29Å; T878-N882 WeakPolarHBondContact O-CB 3.47Å; T878-N882 PolarHBondContact O-N 2.89Å; T878-N882 PolarHBondContact O-ND2 3.24Å
879T92.6Very high91.2Very high14 Ų1450 Ų509%0.08626%0.262CS..Hα-helixtrans-60.4-47.3175.9-62.30000111.5T716 F875 R877 K881 N882 F883 L948T716-T879 HydrophobicContact CG2-CG2 4.22Å; F875-T879 WeakPolarHBondContact O-CB 3.34Å; F875-T879 PolarHBondContact O-N 3.23Å; F875-T879 PolarHBondContact O-OG1 3.16Å; F875-T879 VanDerWaalsContact O-OG1 3.11Å; R877-T879 PolarHBondContact O-N 2.93Å; T879-K881 PolarHBondContact O-N 3.19Å; T879-N882 PolarHBondContact O-N 2.81Å; T879-F883 VanDerWaalsContact O-CB 3.31Å; T879-F883 WeakPolarHBondContact O-CB 3.38Å; T879-F883 PolarHBondContact O-N 3.06Å; T879-L948 HydrophobicContact CG2-CB 3.65Å; T879-L948 HydrophobicContact CG2-CD1 4.1Å; T879-L948 HydrophobicContact CG2-CG 4.46Å
880T94.1Very high91.4Very high2 Ų247.8 Ų47.81%0.01227%0.273CS..Hα-helixtrans-63.6-42.4-180-580000112L876 R877 F883 F885 L887 V898 L915L876-T880 VanDerWaalsContact O-CB 3.27Å; L876-T880 WeakPolarHBondContact O-CB 3.21Å; L876-T880 PolarHBondContact O-N 3.11Å; L876-T880 PolarHBondContact O-OG1 3.33Å; R877-T880 PolarHBondContact O-N 3.43Å; T880-F883 PolarHBondContact O-N 3.28Å; T880-F885 HydrophobicContact CG2-CB 3.92Å; T880-F885 HydrophobicContact CG2-CD2 4.43Å; T880-F885 HydrophobicContact CG2-CG 4.42Å; T880-F885 PolarHBondContact O-N 3.11Å; T880-L887 HydrophobicContact CG2-CD2 3.78Å; T880-V898 HydrophobicContact CG2-CG1 4.16Å; T880-L915 HydrophobicContact CG2-CD1 4.43Å; T880-L915 HydrophobicContact CG2-CD2 3.94Å
881K94.2Very high91.7Very high137 Ų13745.4 Ų45.460%0.59626%0.256SS*.Hα-helixtrans-63.8-49.8176.1-175.8177.9178.3177.60111.5R877 T878 T879 F883 G884 L887R877-K881 WeakPolarHBondContact O-CB 3.4Å; R877-K881 PolarHBondContact O-N 3.02Å; T878-K881 PolarHBondContact O-N 3.17Å; T879-K881 PolarHBondContact O-N 3.19Å; K881-F883 PolarHBondContact O-N 2.89Å; K881-G884 PolarHBondContact O-N 3.38Å; K881-L887 HydrophobicContact CB-CD1 3.93Å; K881-L887 HydrophobicContact CB-CG 4.06Å; K881-L887 HydrophobicContact CD-CD1 4.44Å
882N93.7Very high92Very high74 Ų7445.1 Ų45.140%0.39625%0.254SS..Hα-helixtrans-68.7-20.5-178.3-69.6-9.9000113T716 T878 T879 G884T716-N882 HydrophobicContact CG2-CB 4.21Å; T878-N882 VanDerWaalsContact O-CB 3.29Å; T878-N882 WeakPolarHBondContact O-CB 3.47Å; T878-N882 PolarHBondContact O-N 2.89Å; T878-N882 PolarHBondContact O-ND2 3.24Å; T879-N882 PolarHBondContact O-N 2.81Å; N882-G884 VanDerWaalsContact C-N 3.3Å
883F95.1Very high91.9Very high3 Ų344.5 Ų44.51%0.01326%0.261CS..Hα-helixtrans-71-25172.4-171.3-94.1000113.1L715 N834 L837 T879 T880 K881 F885 L941 L944 I945 L948L715-F883 HydrophobicContact CB-CD2 4.3Å; L715-F883 HydrophobicContact CB-CE2 4.28Å; N834-F883 HydrophobicContact CB-CD1 3.95Å; N834-F883 HydrophobicContact CB-CE1 3.36Å; N834-F883 HydrophobicContact CB-CE2 4Å; N834-F883 HydrophobicContact CB-CZ 3.38Å; N834-F883 PolarHBondContact ND2-O 3.49Å; L837-F883 HydrophobicContact CD2-CD1 4.43Å; T879-F883 VanDerWaalsContact O-CB 3.31Å; T879-F883 WeakPolarHBondContact O-CB 3.38Å; T879-F883 PolarHBondContact O-N 3.06Å; T880-F883 PolarHBondContact O-N 3.28Å; K881-F883 PolarHBondContact O-N 2.89Å; F883-F885 AromaticContact CD1-CD2 3.88Å; F883-F885 HydrophobicContact CD1-CD2 3.88Å; F883-F885 AromaticContact CD1-CE2 3.82Å; F883-F885 HydrophobicContact CD1-CE2 3.82Å; F883-F885 HydrophobicContact CE1-CE2 4.03Å; F883-L941 HydrophobicContact CE1-CD2 4.12Å; F883-L941 HydrophobicContact CZ-CD2 4.32Å; F883-L944 HydrophobicContact CE2-CB 3.84Å; F883-L944 HydrophobicContact CZ-CB 3.68Å; F883-L944 HydrophobicContact CZ-CD1 4.33Å; F883-I945 HydrophobicContact CD1-CD1 3.62Å; F883-I945 HydrophobicContact CD1-CG1 3.67Å; F883-I945 HydrophobicContact CD2-CG1 3.82Å; F883-I945 HydrophobicContact CE1-CD1 3.63Å; F883-I945 HydrophobicContact CE1-CG1 3.46Å; F883-I945 VanDerWaalsContact CE1-CG1 3.46Å; F883-I945 HydrophobicContact CE2-CG1 3.61Å; F883-I945 HydrophobicContact CG-CD1 4.1Å; F883-I945 HydrophobicContact CG-CG1 3.83Å; F883-I945 HydrophobicContact CZ-CD1 4.14Å; F883-I945 HydrophobicContact CZ-CG1 3.42Å; F883-I945 VanDerWaalsContact CZ-CG1 3.42Å; F883-L948 HydrophobicContact CD2-CD1 3.51Å; F883-L948 HydrophobicContact CE2-CD1 4.07Å
884G93.3Very high91.9Very high17 Ų1745.9 Ų45.918%0.17527%0.267CS..THydrogen-bonded Turntrans128.5-3.117600000115.5K881 N882K881-G884 PolarHBondContact O-N 3.38Å; N882-G884 VanDerWaalsContact C-N 3.3Å
885F96.7Very high91.7Very high3 Ų348 Ų481%0.01328%0.279CS..PPolyproline II helixtrans-80.4141.8179.1-77.8-84.5000112.2L837 T880 F883 L887 V913 L915 L941 I945L837-F885 HydrophobicContact CD2-CD1 4.14Å; L837-F885 HydrophobicContact CD2-CD2 3.63Å; L837-F885 HydrophobicContact CD2-CE1 4.08Å; L837-F885 HydrophobicContact CD2-CE2 3.54Å; L837-F885 HydrophobicContact CD2-CG 3.93Å; L837-F885 HydrophobicContact CD2-CZ 3.78Å; T880-F885 HydrophobicContact CG2-CB 3.92Å; T880-F885 HydrophobicContact CG2-CD2 4.43Å; T880-F885 HydrophobicContact CG2-CG 4.42Å; T880-F885 PolarHBondContact O-N 3.11Å; F883-F885 AromaticContact CD1-CD2 3.88Å; F883-F885 HydrophobicContact CD1-CD2 3.88Å; F883-F885 AromaticContact CD1-CE2 3.82Å; F883-F885 HydrophobicContact CD1-CE2 3.82Å; F883-F885 HydrophobicContact CE1-CE2 4.03Å; F885-L887 PolarHBondContact O-N 3.02Å; F885-V913 HydrophobicContact CE1-CB 4.13Å; F885-V913 HydrophobicContact CE1-CG1 3.77Å; F885-V913 HydrophobicContact CZ-CB 4.45Å; F885-V913 HydrophobicContact CZ-CG1 3.75Å; F885-L915 HydrophobicContact CD1-CB 4.11Å; F885-L915 HydrophobicContact CD2-CD1 4Å; F885-L915 HydrophobicContact CE1-CB 3.84Å; F885-L915 HydrophobicContact CE2-CB 4.45Å; F885-L915 HydrophobicContact CE2-CD1 3.75Å; F885-L915 HydrophobicContact CZ-CB 4.02Å; F885-L915 HydrophobicContact CZ-CD1 4.07Å; F885-L941 HydrophobicContact CZ-CD1 4.45Å; F885-I945 HydrophobicContact CD2-CD1 4.18Å; F885-I945 HydrophobicContact CE2-CD1 3.69Å
886G95.8Very high91.6Very high10 Ų1048.8 Ų48.810%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-73.8118.3163.400000109.1G900 A901G886-G900 CarbonylContact O-C 3.58Å; G886-G900 WeakPolarHBondContact O-CA 3.4Å; G886-A901 PolarHBondContact N-O 3.23Å; G886-A901 PolarHBondContact O-N 3.38Å
887L95.9Very high91.7Very high42 Ų4249.3 Ų49.322%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-73.1132177.2-69.5-179.9000110.1R877 T880 K881 F885 V898R877-L887 HydrophobicContact CB-CD1 3.95Å; R877-L887 HydrophobicContact CG-CD1 4.27Å; T880-L887 HydrophobicContact CG2-CD2 3.78Å; K881-L887 HydrophobicContact CB-CD1 3.93Å; K881-L887 HydrophobicContact CB-CG 4.06Å; K881-L887 HydrophobicContact CD-CD1 4.44Å; F885-L887 PolarHBondContact O-N 3.02Å; L887-V898 HydrophobicContact CD2-CG1 3.66Å
888L94.8Very high91.7Very high12 Ų1246 Ų466%0.06328%0.277CS..  trans-110.8103-179-54.2179.5000110.3M842 F847 I891 V899 A901M842-L888 HydrophobicContact CG-CD1 3.63Å; M842-L888 HydrophobicContact SD-CD1 4.35Å; F847-L888 HydrophobicContact CD2-CD1 3.72Å; F847-L888 HydrophobicContact CE2-CD1 4.27Å; L888-I891 HydrophobicContact CB-CD1 3.37Å; L888-I891 HydrophobicContact CB-CG1 3.81Å; L888-I891 HydrophobicContact CD1-CD1 3.49Å; L888-I891 VanDerWaalsContact CD1-CD1 3.49Å; L888-I891 HydrophobicContact CG-CD1 3.98Å; L888-V899 HydrophobicContact CB-CB 4.45Å; L888-V899 HydrophobicContact CB-CG1 4.23Å; L888-V899 HydrophobicContact CD1-CG1 4.25Å; L888-V899 PolarHBondContact N-O 3.19Å; L888-A901 HydrophobicContact CD1-CB 3.78Å; L888-A901 HydrophobicContact CG-CB 4.47Å
889D90Very high91.9Very high108 Ų10842.4 Ų42.458%0.57826%0.255SS*.THydrogen-bonded Turntrans-78.4141.5-177.4-66.2-27.1000112R877 I891R877-D889 IonicContact CZ-OD1 3.19Å; R877-D889 IonicContact NH1-OD1 2.85Å; R877-D889 PolarHBondContact NH1-OD1 2.74Å; R877-D889 IonicContact NH1-OD2 2.8Å; R877-D889 IonicContact NH2-OD1 3.99Å; R877-D889 PolarHBondContact NH2-OD1 2.78Å; D889-I891 PolarHBondContact O-N 3.15Å
890G86.7Confident92.1Very high71 Ų7141.7 Ų41.773%0.73225%0.251SS*.THydrogen-bonded Turntrans71.16.5175.600000115.7
891I88.9Confident92.2Very high5 Ų541.6 Ų41.63%0.02625%0.25CS..  trans-75.8-47177.4-65-159.3000111.7Q844 F847 F848 L888 D889 V899Q844-I891 HydrophobicContact CB-CG1 4.41Å; Q844-I891 HydrophobicContact CG-CG2 4.2Å; Q844-I891 PolarHBondContact NE2-O 3.43Å; F847-I891 HydrophobicContact CB-CD1 3.78Å; F847-I891 HydrophobicContact CB-CG2 4Å; F847-I891 HydrophobicContact CD1-CG2 3.57Å; F847-I891 HydrophobicContact CD2-CD1 4.44Å; F847-I891 HydrophobicContact CE1-CG2 4.24Å; F847-I891 HydrophobicContact CG-CD1 4.12Å; F847-I891 HydrophobicContact CG-CG2 3.82Å; F848-I891 HydrophobicContact CD2-CG2 4.38Å; F848-I891 HydrophobicContact CE2-CG2 3.84Å; F848-I891 WeakPolarHBondContact CE2-O 3.24Å; F848-I891 HydrophobicContact CZ-CG2 4.3Å; L888-I891 HydrophobicContact CB-CD1 3.37Å; L888-I891 HydrophobicContact CB-CG1 3.81Å; L888-I891 HydrophobicContact CD1-CD1 3.49Å; L888-I891 VanDerWaalsContact CD1-CD1 3.49Å; L888-I891 HydrophobicContact CG-CD1 3.98Å; D889-I891 PolarHBondContact O-N 3.15Å; I891-V899 HydrophobicContact CB-CG1 4.39Å; I891-V899 HydrophobicContact CG2-CG1 4.18Å
892D89.6Confident92.3Very high16 Ų1635.2 Ų35.29%0.08622%0.223CC..SBendtrans-80.5139.2-179.1-152.9-89.5000111.5N894 N897 V899 R916D892-N894 PolarHBondContact O-N 3.49Å; D892-N894 PolarHBondContact OD1-N 3.18Å; D892-N897 HydrophobicContact CB-CB 4Å; D892-N897 PolarHBondContact OD1-ND2 2.95Å; D892-V899 HydrophobicContact CB-CG2 3.78Å; D892-R916 IonicContact OD1-NH2 3.82Å; D892-R916 PolarHBondContact OD1-NH2 2.92Å; D892-R916 IonicContact OD2-CZ 3.6Å; D892-R916 IonicContact OD2-NE 2.92Å; D892-R916 PolarHBondContact OD2-NE 3.04Å; D892-R916 IonicContact OD2-NH2 2.87Å; D892-R916 PolarHBondContact OD2-NH2 2.96Å
893P84.3Confident92.5Very high110 Ų11034.2 Ų34.271%0.71422%0.217SC*.SBendtrans-58.8-29.9171.8-24.433.9000113.6
894N87.3Confident92.5Very high64 Ų6434 Ų3434%0.34222%0.216SC..SBendtrans-94.4113.8175.31804.8000109.9D892 N896 N897D892-N894 PolarHBondContact O-N 3.49Å; D892-N894 PolarHBondContact OD1-N 3.18Å; N894-N896 PolarHBondContact O-N 3.47Å; N894-N896 VanDerWaalsContact O-N 3.13Å; N894-N896 WeakPolarHBondContact OD1-CB 3.41Å; N894-N896 PolarHBondContact OD1-N 3.23Å; N894-N896 VanDerWaalsContact OD1-N 3.14Å; N894-N897 HydrophobicContact CB-CB 4.49Å; N894-N897 PolarHBondContact ND2-OD1 3.12Å; N894-N897 WeakPolarHBondContact O-CB 3.22Å; N894-N897 PolarHBondContact O-N 2.68Å
895P84.4Confident92.7Very high102 Ų10233.9 Ų33.966%0.66221%0.212SC*.THydrogen-bonded Turntrans-66.7-17-176.728.3-36000113.8N897P895-N897 VanDerWaalsContact C-N 3.29Å
896N87.5Confident92.5Very high85 Ų8534 Ų3446%0.45521%0.213SC..THydrogen-bonded Turntrans-76.6-18.7175.8-64.6-24.4000112.5N894 P919N894-N896 PolarHBondContact O-N 3.47Å; N894-N896 VanDerWaalsContact O-N 3.13Å; N894-N896 WeakPolarHBondContact OD1-CB 3.41Å; N894-N896 PolarHBondContact OD1-N 3.23Å; N894-N896 VanDerWaalsContact OD1-N 3.14Å; N896-P919 WeakPolarHBondContact O-CD 3.41Å; N896-P919 WeakPolarHBondContact O-CG 3.43Å
897N93Very high92.2Very high11 Ų1135.3 Ų35.36%0.05922%0.221CC..SBendtrans-76.6137.5176.8-69.7-9.6000109.8D892 N894 P895 L917 E918D892-N897 HydrophobicContact CB-CB 4Å; D892-N897 PolarHBondContact OD1-ND2 2.95Å; N894-N897 HydrophobicContact CB-CB 4.49Å; N894-N897 PolarHBondContact ND2-OD1 3.12Å; N894-N897 WeakPolarHBondContact O-CB 3.22Å; N894-N897 PolarHBondContact O-N 2.68Å; P895-N897 VanDerWaalsContact C-N 3.29Å; N897-L917 CarbonylContact C-O 3.55Å; N897-L917 WeakPolarHBondContact CA-O 3.43Å; N897-E918 WeakPolarHBondContact OD1-CA 3.38Å
898V95Very high91.6Very high1 Ų135.6 Ų35.61%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-100.5121.8176.9-175.80000108.4T873 L876 R877 T880 L887 L917T873-V898 HydrophobicContact CG2-CG2 4.36Å; L876-V898 HydrophobicContact CB-CG2 3.99Å; R877-V898 HydrophobicContact CG-CG1 4.16Å; R877-V898 HydrophobicContact CG-CG2 3.87Å; T880-V898 HydrophobicContact CG2-CG1 4.16Å; L887-V898 HydrophobicContact CD2-CG1 3.66Å; V898-L917 HydrophobicContact CB-CB 4.24Å; V898-L917 HydrophobicContact CB-CD2 4.49Å; V898-L917 PolarHBondContact N-O 3.22Å; V898-L917 PolarHBondContact O-N 3.37Å
899V97Very high91.1Very high3 Ų337.5 Ų37.52%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-112.4135.9177.7-176.40000108.8F847 L888 I891 D892 L915 R916F847-V899 HydrophobicContact CD1-CG1 4.31Å; F847-V899 HydrophobicContact CD2-CG1 3.9Å; F847-V899 HydrophobicContact CE1-CG1 3.81Å; F847-V899 HydrophobicContact CE2-CG1 3.33Å; F847-V899 HydrophobicContact CG-CG1 4.37Å; F847-V899 HydrophobicContact CZ-CG1 3.29Å; L888-V899 HydrophobicContact CB-CB 4.45Å; L888-V899 HydrophobicContact CB-CG1 4.23Å; L888-V899 HydrophobicContact CD1-CG1 4.25Å; L888-V899 PolarHBondContact N-O 3.19Å; I891-V899 HydrophobicContact CB-CG1 4.39Å; I891-V899 HydrophobicContact CG2-CG1 4.18Å; D892-V899 HydrophobicContact CB-CG2 3.78Å; V899-L915 WeakPolarHBondContact CA-O 3.46Å; V899-R916 HydrophobicContact CG2-CG 4.43Å
900G96.6Very high91.2Very high0 Ų038.9 Ų38.90%024%0.238CC..EExtended strand (participates in β ladder)trans-142.1155.9176.700000113.1G886 L915G886-G900 CarbonylContact O-C 3.58Å; G886-G900 WeakPolarHBondContact O-CA 3.4Å; G900-L915 PolarHBondContact N-O 2.77Å; G900-L915 PolarHBondContact O-N 3Å
901A97.3Very high91.5Very high0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-135.9150.2170.800000111.5A840 M842 G886 L888 V913 L914A840-A901 HydrophobicContact CB-CB 4.28Å; A840-A901 PolarHBondContact N-O 3.29Å; M842-A901 HydrophobicContact CE-CB 3.46Å; M842-A901 VanDerWaalsContact CE-CB 3.46Å; M842-A901 HydrophobicContact SD-CB 4.29Å; G886-A901 PolarHBondContact N-O 3.23Å; G886-A901 PolarHBondContact O-N 3.38Å; L888-A901 HydrophobicContact CD1-CB 3.78Å; L888-A901 HydrophobicContact CG-CB 4.47Å; A901-V913 WeakPolarHBondContact CA-O 3.39Å; A901-L914 HydrophobicContact CB-CD2 3.74Å
902G96.5Very high91.7Very high2 Ų236.6 Ų36.62%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-160.9172.2175.200000112.2Q838 V913Q838-G902 CarbonylContact O-C 3.55Å; Q838-G902 WeakPolarHBondContact O-CA 3.19Å; G902-V913 PolarHBondContact N-O 2.89Å; G902-V913 PolarHBondContact O-N 3.39Å; G902-V913 VanDerWaalsContact O-O 3.14Å
903I96.4Very high92.1Very high53 Ų5335.9 Ų35.927%0.27221%0.212SC..EExtended strand (participates in β ladder)trans-127.9116.9179.9-59.5173.2000107.3Q838 A840 V905 Q910 V911Q838-I903 PolarHBondContact N-O 3.45Å; Q838-I903 PolarHBondContact O-N 2.94Å; A840-I903 HydrophobicContact CB-CD1 4.36Å; A840-I903 HydrophobicContact CB-CG1 4.19Å; I903-V905 HydrophobicContact CG2-CG2 4.22Å; I903-V905 PolarHBondContact O-N 3.36Å; I903-Q910 HydrophobicContact CG2-CB 3.72Å; I903-Q910 HydrophobicContact CG2-CG 4.19Å; I903-V911 WeakPolarHBondContact CA-O 3.32Å
904V96.4Very high92.7Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-77.3118.1169.4177.60000107.5L833 F836 L837 T906 V911 V913 V937 L941L833-V904 HydrophobicContact CD1-CG1 3.81Å; L833-V904 HydrophobicContact CG-CG1 4.16Å; F836-V904 WeakPolarHBondContact O-CA 3.5Å; L837-V904 HydrophobicContact CB-CG2 4.44Å; L837-V904 HydrophobicContact CD1-CG2 3.7Å; V904-T906 HydrophobicContact CG1-CG2 4.04Å; V904-V911 HydrophobicContact CB-CB 4.28Å; V904-V911 PolarHBondContact N-O 3.28Å; V904-V911 PolarHBondContact O-N 2.63Å; V904-V913 HydrophobicContact CG2-CG2 3.91Å; V904-V937 HydrophobicContact CG2-CG1 4.02Å; V904-L941 HydrophobicContact CG2-CD1 4.19Å
905V96Very high93.2Very high13 Ų1328 Ų288%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-98.9120-178.1-174.30000109.2Q739 F836 Q838 I903Q739-V905 HydrophobicContact CB-CG1 4.32Å; F836-V905 PolarHBondContact O-N 2.98Å; Q838-V905 HydrophobicContact CG-CG2 4.12Å; I903-V905 HydrophobicContact CG2-CG2 4.22Å; I903-V905 PolarHBondContact O-N 3.36Å
906T93.5Very high93.7Very high5 Ų525.4 Ų25.43%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-126.4158.5173.6790000109.4C802 L803 P805 V904 S908 Q909C802-T906 CarbonylContact O-C 3.47Å; C802-T906 WeakPolarHBondContact O-CA 3.22Å; C802-T906 WeakPolarHBondContact O-CB 3.24Å; C802-T906 VanDerWaalsContact SG-CG2 3.55Å; L803-T906 WeakPolarHBondContact O-CB 3.27Å; L803-T906 PolarHBondContact O-OG1 3.13Å; P805-T906 HydrophobicContact CG-CG2 4.14Å; V904-T906 HydrophobicContact CG1-CG2 4.04Å; T906-S908 PolarHBondContact O-N 2.79Å; T906-S908 PolarHBondContact OG1-OG 2.74Å; T906-Q909 PolarHBondContact N-O 3.24Å; T906-Q909 PolarHBondContact O-N 3.25Å; T906-Q909 VanDerWaalsContact O-N 3.16Å; T906-Q909 VanDerWaalsContact O-O 3.07Å; T906-Q909 PolarHBondContact OG1-N 3.38Å; T906-Q909 PolarHBondContact OG1-O 2.98Å; T906-Q909 VanDerWaalsContact OG1-O 3.09Å
907S88.4Confident94.1Very high39 Ų3921.3 Ų21.327%0.27312%0.118SC..THydrogen-bonded Turntrans-58.1-27.3-178.5-420000113.4Q739 E801 C802 L803Q739-S907 VanDerWaalsContact CD-OG 3.25Å; Q739-S907 PolarHBondContact NE2-OG 2.84Å; Q739-S907 VanDerWaalsContact NE2-OG 3.08Å; E801-S907 PolarHBondContact OE1-OG 2.97Å; C802-S907 PolarHBondContact O-N 3.32Å; C802-S907 PolarHBondContact O-OG 3.37Å; L803-S907 PolarHBondContact O-N 2.98Å
908S83.3Confident94.1Very high47 Ų4723.2 Ų23.233%0.32913%0.127SC..THydrogen-bonded Turntrans-89.9-28.4177.955.60000115.8L803 T906L803-S908 WeakPolarHBondContact O-CB 3.36Å; L803-S908 PolarHBondContact O-N 3.48Å; L803-S908 PolarHBondContact O-OG 3.08Å; T906-S908 PolarHBondContact O-N 2.79Å; T906-S908 PolarHBondContact OG1-OG 2.74Å
909Q85.8Confident94Very high52 Ų5224 Ų2424%0.24313%0.132CC..EExtended strand (participates in β ladder)trans-164.6160.6-17362.3-176.9-1000112.7T906 V911 R934T906-Q909 PolarHBondContact N-O 3.24Å; T906-Q909 PolarHBondContact O-N 3.25Å; T906-Q909 VanDerWaalsContact O-N 3.16Å; T906-Q909 VanDerWaalsContact O-O 3.07Å; T906-Q909 PolarHBondContact OG1-N 3.38Å; T906-Q909 PolarHBondContact OG1-O 2.98Å; T906-Q909 VanDerWaalsContact OG1-O 3.09Å; Q909-V911 HydrophobicContact CG-CG2 3.93Å; Q909-R934 VanDerWaalsContact OE1-NE 3.14Å
910Q91.6Very high93.5Very high138 Ų13826.9 Ų26.965%0.64515%0.147SC*.EExtended strand (participates in β ladder)trans-104.1124166.2-69.2-177.35.300109.7I903I903-Q910 HydrophobicContact CG2-CB 3.72Å; I903-Q910 HydrophobicContact CG2-CG 4.19Å
911V93.1Very high92.7Very high0 Ų031.6 Ų31.60%018%0.176CC..EExtended strand (participates in β ladder)trans-107.9110.3-178.7-176.30000109.3P805 I903 V904 Q909 R934 V937P805-V911 HydrophobicContact CG-CG2 4.32Å; I903-V911 WeakPolarHBondContact CA-O 3.32Å; V904-V911 HydrophobicContact CB-CB 4.28Å; V904-V911 PolarHBondContact N-O 3.28Å; V904-V911 PolarHBondContact O-N 2.63Å; Q909-V911 HydrophobicContact CG-CG2 3.93Å; V911-R934 HydrophobicContact CG1-CB 4.2Å; V911-R934 HydrophobicContact CG1-CG 4.14Å; V911-R934 HydrophobicContact CG2-CG 4.08Å; V911-V937 HydrophobicContact CG1-CB 4.24Å; V911-V937 HydrophobicContact CG1-CG1 4.18Å; V911-V937 HydrophobicContact CG1-CG2 4.04Å
912G93.7Very high91.9Very high28 Ų2840.2 Ų40.229%0.28922%0.216SC..EExtended strand (participates in β ladder)trans-69.2132173.700000111.6S932G912-S932 WeakPolarHBondContact O-CA 3.5Å; G912-S932 WeakPolarHBondContact O-CB 3.37Å
913V96.4Very high91.3Very high1 Ų146 Ų461%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-128.7131.4-178.9-1700000109.7L837 F885 A901 G902 V904 I930 R931 V937 L941L837-V913 HydrophobicContact CD1-CB 4.5Å; L837-V913 HydrophobicContact CD1-CG2 4.43Å; F885-V913 HydrophobicContact CE1-CB 4.13Å; F885-V913 HydrophobicContact CE1-CG1 3.77Å; F885-V913 HydrophobicContact CZ-CB 4.45Å; F885-V913 HydrophobicContact CZ-CG1 3.75Å; A901-V913 WeakPolarHBondContact CA-O 3.39Å; G902-V913 PolarHBondContact N-O 2.89Å; G902-V913 PolarHBondContact O-N 3.39Å; G902-V913 VanDerWaalsContact O-O 3.14Å; V904-V913 HydrophobicContact CG2-CG2 3.91Å; V913-I930 HydrophobicContact CG1-CG2 3.51Å; V913-R931 CarbonylContact C-O 3.57Å; V913-R931 WeakPolarHBondContact CA-O 2.83Å; V913-V937 HydrophobicContact CG2-CG1 3.66Å; V913-L941 HydrophobicContact CB-CD1 4.48Å; V913-L941 HydrophobicContact CG1-CD1 3.87Å; V913-L941 HydrophobicContact CG2-CD1 4.04Å
914L97.5Very high90.8Very high7 Ų751 Ų514%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-117139.7173.8-56.5-179.7000109.3M842 F847 R850 W851 L854 A901 I930 R931M842-L914 HydrophobicContact CE-CD2 3.85Å; M842-L914 HydrophobicContact SD-CD2 3.89Å; F847-L914 HydrophobicContact CD2-CD1 4.38Å; F847-L914 HydrophobicContact CD2-CD2 3.95Å; F847-L914 HydrophobicContact CE2-CB 3.94Å; F847-L914 HydrophobicContact CE2-CD1 4.21Å; F847-L914 HydrophobicContact CE2-CD2 3.88Å; F847-L914 HydrophobicContact CE2-CG 4.23Å; F847-L914 HydrophobicContact CZ-CB 4.37Å; R850-L914 HydrophobicContact CB-CD1 3.86Å; W851-L914 HydrophobicContact CB-CD1 4.3Å; W851-L914 HydrophobicContact CE3-CB 3.63Å; W851-L914 HydrophobicContact CE3-CD1 3.94Å; W851-L914 HydrophobicContact CE3-CG 4.46Å; W851-L914 HydrophobicContact CZ3-CB 3.67Å; L854-L914 HydrophobicContact CD1-CD1 4.07Å; L854-L914 HydrophobicContact CD1-CG 4.32Å; A901-L914 HydrophobicContact CB-CD2 3.74Å; L914-I930 CarbonylContact O-C 3.41Å; L914-I930 WeakPolarHBondContact O-CA 3.26Å; L914-R931 PolarHBondContact N-O 3.15Å; L914-R931 PolarHBondContact O-N 3.02Å
915L97.1Very high90.4Very high0 Ų053.7 Ų53.70%028%0.28CS..EExtended strand (participates in β ladder)trans-124.7136.8178.7177.2148.7000109.9T880 F885 V899 G900 L917 L928 T929 I930 I945T880-L915 HydrophobicContact CG2-CD1 4.43Å; T880-L915 HydrophobicContact CG2-CD2 3.94Å; F885-L915 HydrophobicContact CD1-CB 4.11Å; F885-L915 HydrophobicContact CD2-CD1 4Å; F885-L915 HydrophobicContact CE1-CB 3.84Å; F885-L915 HydrophobicContact CE2-CB 4.45Å; F885-L915 HydrophobicContact CE2-CD1 3.75Å; F885-L915 HydrophobicContact CZ-CB 4.02Å; F885-L915 HydrophobicContact CZ-CD1 4.07Å; V899-L915 WeakPolarHBondContact CA-O 3.46Å; G900-L915 PolarHBondContact N-O 2.77Å; G900-L915 PolarHBondContact O-N 3Å; L915-L917 HydrophobicContact CD2-CB 4.07Å; L915-L928 HydrophobicContact CD1-CD1 3.81Å; L915-L928 HydrophobicContact CG-CD1 3.98Å; L915-T929 WeakPolarHBondContact CA-O 3.28Å; L915-I930 HydrophobicContact CD1-CD1 4.1Å; L915-I930 HydrophobicContact CD1-CG1 4.17Å; L915-I930 HydrophobicContact CG-CG1 4.37Å; L915-I945 HydrophobicContact CD1-CD1 3.35Å
916R95.3Very high90.2Very high48 Ų4853.3 Ų53.318%0.18128%0.277CS..EExtended strand (participates in β ladder)trans-134.6118.3168.4-168.5179.3-172.6-129.51.6108.5W851 D892 V899 E918 T929W851-R916 HydrophobicContact CH2-CB 3.39Å; W851-R916 HydrophobicContact CZ2-CB 3.75Å; W851-R916 HydrophobicContact CZ3-CB 4.05Å; D892-R916 IonicContact OD1-NH2 3.82Å; D892-R916 PolarHBondContact OD1-NH2 2.92Å; D892-R916 IonicContact OD2-CZ 3.6Å; D892-R916 IonicContact OD2-NE 2.92Å; D892-R916 PolarHBondContact OD2-NE 3.04Å; D892-R916 IonicContact OD2-NH2 2.87Å; D892-R916 PolarHBondContact OD2-NH2 2.96Å; V899-R916 HydrophobicContact CG2-CG 4.43Å; R916-E918 HydrophobicContact CG-CG 4.04Å; R916-E918 VanDerWaalsContact CZ-CD 3.49Å; R916-E918 IonicContact CZ-OE1 2.76Å; R916-E918 IonicContact CZ-OE2 3.81Å; R916-E918 IonicContact NE-OE2 2.56Å; R916-E918 IonicContact NH1-OE1 3.36Å; R916-E918 PolarHBondContact NH1-OE1 2.94Å; R916-E918 IonicContact NH1-OE2 3.32Å; R916-E918 PolarHBondContact NH1-OE2 3.33Å; R916-E918 IonicContact NH2-OE1 3.65Å; R916-T929 PolarHBondContact N-O 3.5Å; R916-T929 PolarHBondContact O-N 3.22Å
917L95.6Very high90.3Very high0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-115.3117.3-179.9173.865.9000109.1L876 N897 V898 L915 P919 Y926 C927 L928 I949L876-L917 HydrophobicContact CB-CD2 3.98Å; L876-L917 HydrophobicContact CD1-CD2 4.03Å; L876-L917 HydrophobicContact CD2-CD2 4.07Å; L876-L917 HydrophobicContact CG-CD2 4.24Å; N897-L917 CarbonylContact C-O 3.55Å; N897-L917 WeakPolarHBondContact CA-O 3.43Å; V898-L917 HydrophobicContact CB-CB 4.24Å; V898-L917 HydrophobicContact CB-CD2 4.49Å; V898-L917 PolarHBondContact N-O 3.22Å; V898-L917 PolarHBondContact O-N 3.37Å; L915-L917 HydrophobicContact CD2-CB 4.07Å; L917-P919 WeakPolarHBondContact O-CD 3.36Å; L917-Y926 HydrophobicContact CD1-CD2 3.55Å; L917-Y926 HydrophobicContact CD1-CE2 4.36Å; L917-Y926 HydrophobicContact CD1-CG 4.18Å; L917-C927 WeakPolarHBondContact CA-O 3.39Å; L917-L928 HydrophobicContact CB-CD1 4.34Å; L917-L928 HydrophobicContact CD1-CB 4.01Å; L917-L928 HydrophobicContact CD1-CD1 4.22Å; L917-I949 HydrophobicContact CD1-CD1 3.63Å; L917-I949 HydrophobicContact CD2-CD1 3.55Å; L917-I949 HydrophobicContact CG-CD1 4.23Å
918E94.3Very high90.7Very high51 Ų5152.2 Ų52.224%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-116.394.8-171.5-52.8-178.367.200109.1N897 R916 Y926 C927N897-E918 WeakPolarHBondContact OD1-CA 3.38Å; R916-E918 HydrophobicContact CG-CG 4.04Å; R916-E918 VanDerWaalsContact CZ-CD 3.49Å; R916-E918 IonicContact CZ-OE1 2.76Å; R916-E918 IonicContact CZ-OE2 3.81Å; R916-E918 IonicContact NE-OE2 2.56Å; R916-E918 IonicContact NH1-OE1 3.36Å; R916-E918 PolarHBondContact NH1-OE1 2.94Å; R916-E918 IonicContact NH1-OE2 3.32Å; R916-E918 PolarHBondContact NH1-OE2 3.33Å; R916-E918 IonicContact NH2-OE1 3.65Å; E918-Y926 WeakPolarHBondContact O-CA 3.5Å; E918-C927 HydrophobicContact CB-CB 4.23Å; E918-C927 PolarHBondContact N-O 2.65Å; E918-C927 PolarHBondContact O-N 3.11Å
919P91.8Very high91.3Very high17 Ų1750 Ų5011%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-75.7136.3178.130.1-33.3000111.2L871 L876 N896 L917L871-P919 HydrophobicContact CD2-CB 4.14Å; L876-P919 HydrophobicContact CD1-CB 3.87Å; L876-P919 HydrophobicContact CD1-CG 3.96Å; N896-P919 WeakPolarHBondContact O-CD 3.41Å; N896-P919 WeakPolarHBondContact O-CG 3.43Å; L917-P919 WeakPolarHBondContact O-CD 3.36Å
920N87.1Confident91.8Very high63 Ų6347.6 Ų47.634%0.33724%0.242SC..EExtended strand (participates in β ladder)trans-116.192.4171.5-171.9-29.3000109.6Q922 L923 K924 M925N920-Q922 VanDerWaalsContact C-N 3.26Å; N920-Q922 PolarHBondContact O-N 3.07Å; N920-Q922 PolarHBondContact OD1-N 2.87Å; N920-L923 WeakPolarHBondContact ND2-CD1 3.36Å; N920-L923 PolarHBondContact O-N 3.34Å; N920-L923 PolarHBondContact OD1-N 3.38Å; N920-K924 WeakPolarHBondContact O-CA 3.46Å; N920-K924 PolarHBondContact O-N 3.46Å; N920-M925 CarbonylContact C-O 3.57Å; N920-M925 WeakPolarHBondContact CA-O 3.2Å; N920-M925 WeakPolarHBondContact CB-O 3.4Å; N920-M925 PolarHBondContact N-O 3.17Å; N920-M925 PolarHBondContact O-N 3.27Å; N920-M925 VanDerWaalsContact O-N 3.16Å
921T80.3Confident92.1Very high100 Ų10042.4 Ų42.461%0.61322%0.217SC*.THydrogen-bonded Turntrans-65-27.4-178.352.50000113.3
922Q80.1Confident92.1Very high180 Ų18042.4 Ų42.484%0.84122%0.217SC*.THydrogen-bonded Turntrans-70.8-43.5178.4-65-179.6-600111.7N920N920-Q922 VanDerWaalsContact C-N 3.26Å; N920-Q922 PolarHBondContact O-N 3.07Å; N920-Q922 PolarHBondContact OD1-N 2.87Å
923L83.6Confident91.7Very high125 Ų12544.2 Ų44.265%0.65422%0.222SC*.THydrogen-bonded Turntrans-86.8-8178-64.1-179.3000113.3N920 M925N920-L923 WeakPolarHBondContact ND2-CD1 3.36Å; N920-L923 PolarHBondContact O-N 3.34Å; N920-L923 PolarHBondContact OD1-N 3.38Å; L923-M925 HydrophobicContact CB-CB 4.38Å; L923-M925 HydrophobicContact CB-CG 4.14Å; L923-M925 WeakPolarHBondContact O-CG 3.23Å; L923-M925 PolarHBondContact O-N 3.17Å
924K85.8Confident91.3Very high156 Ų15650.2 Ų50.268%0.67825%0.245SC*.THydrogen-bonded Turntrans52.443.2-169.8-61-176.3176.3-177.30112.2P867 N920P867-K924 WeakPolarHBondContact CD-O 3.44Å; N920-K924 WeakPolarHBondContact O-CA 3.46Å; N920-K924 PolarHBondContact O-N 3.46Å
925M89.1Confident90.9Very high58 Ų5856.1 Ų56.129%0.28627%0.272SS..EExtended strand (participates in β ladder)trans-128.7159.4178-62.3-69.9-75.300108.7I864 N865 P866 N920 L923I864-M925 HydrophobicContact CG2-CE 4.11Å; N865-M925 VanDerWaalsContact C-CE 3.46Å; N865-M925 WeakPolarHBondContact O-CA 3.41Å; P866-M925 HydrophobicContact CB-SD 3.93Å; P866-M925 HydrophobicContact CG-SD 4.46Å; P866-M925 VanDerWaalsContact N-SD 3.37Å; N920-M925 CarbonylContact C-O 3.57Å; N920-M925 WeakPolarHBondContact CA-O 3.2Å; N920-M925 WeakPolarHBondContact CB-O 3.4Å; N920-M925 PolarHBondContact N-O 3.17Å; N920-M925 PolarHBondContact O-N 3.27Å; N920-M925 VanDerWaalsContact O-N 3.16Å; L923-M925 HydrophobicContact CB-CB 4.38Å; L923-M925 HydrophobicContact CB-CG 4.14Å; L923-M925 WeakPolarHBondContact O-CG 3.23Å; L923-M925 PolarHBondContact O-N 3.17Å
926Y91.5Very high90.4Very high4 Ų460.6 Ų60.62%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-126.6154.4166.668.6-86.6000110.1I864 N865 P867 L871 L917 E918 L928 I949I864-Y926 VanDerWaalsContact CA-O 3.29Å; I864-Y926 WeakPolarHBondContact CA-O 3.5Å; N865-Y926 HydrophobicContact CB-CE1 3.84Å; N865-Y926 PolarHBondContact N-O 2.74Å; N865-Y926 WeakPolarHBondContact O-CD1 3.37Å; N865-Y926 WeakPolarHBondContact O-CE1 3.28Å; N865-Y926 PolarHBondContact O-N 2.68Å; P867-Y926 HydrophobicContact CB-CD1 4.31Å; L871-Y926 HydrophobicContact CD2-CD1 4.37Å; L917-Y926 HydrophobicContact CD1-CD2 3.55Å; L917-Y926 HydrophobicContact CD1-CE2 4.36Å; L917-Y926 HydrophobicContact CD1-CG 4.18Å; E918-Y926 WeakPolarHBondContact O-CA 3.5Å; Y926-L928 HydrophobicContact CD2-CB 3.9Å; Y926-L928 HydrophobicContact CE2-CB 3.68Å; Y926-I949 HydrophobicContact CD1-CG2 3.55Å; Y926-I949 HydrophobicContact CD2-CG2 4.05Å; Y926-I949 HydrophobicContact CE1-CB 4.17Å; Y926-I949 HydrophobicContact CE1-CG2 3.58Å; Y926-I949 HydrophobicContact CE2-CB 4.38Å; Y926-I949 HydrophobicContact CE2-CD1 4.31Å; Y926-I949 HydrophobicContact CE2-CG2 4.07Å; Y926-I949 HydrophobicContact CG-CG2 3.8Å
927C95Very high90.3Very high21 Ų2158.3 Ų58.314%0.14229%0.287CS..EExtended strand (participates in β ladder)trans-111.9110.5167.2-179.20000108.7Q862 K863 I864 L917 E918Q862-C927 VanDerWaalsContact CD-SG 3.6Å; Q862-C927 PolarHBondContact NE2-SG 3.29Å; K863-C927 CarbonylContact O-C 3.59Å; K863-C927 WeakPolarHBondContact O-CA 3.46Å; I864-C927 HydrophobicContact CG1-CB 4.09Å; L917-C927 WeakPolarHBondContact CA-O 3.39Å; E918-C927 HydrophobicContact CB-CB 4.23Å; E918-C927 PolarHBondContact N-O 2.65Å; E918-C927 PolarHBondContact O-N 3.11Å
928L95.8Very high90.2Very high0 Ų058.4 Ų58.40%029%0.287CS..EExtended strand (participates in β ladder)trans-97.3121.6171.9172.266.5000108.6Q862 K863 L915 L917 Y926 I930 A942 I945Q862-L928 CarbonylContact C-O 3.6Å; Q862-L928 VanDerWaalsContact CA-O 3.31Å; Q862-L928 WeakPolarHBondContact CA-O 3.29Å; K863-L928 HydrophobicContact CB-CB 4.44Å; K863-L928 PolarHBondContact N-O 2.72Å; K863-L928 PolarHBondContact O-N 3.41Å; L915-L928 HydrophobicContact CD1-CD1 3.81Å; L915-L928 HydrophobicContact CG-CD1 3.98Å; L917-L928 HydrophobicContact CB-CD1 4.34Å; L917-L928 HydrophobicContact CD1-CB 4.01Å; L917-L928 HydrophobicContact CD1-CD1 4.22Å; Y926-L928 HydrophobicContact CD2-CB 3.9Å; Y926-L928 HydrophobicContact CE2-CB 3.68Å; L928-I930 HydrophobicContact CD1-CD1 4.44Å; L928-I930 HydrophobicContact CD1-CG1 4.1Å; L928-I930 HydrophobicContact CG-CG1 4.29Å; L928-A942 HydrophobicContact CD2-CB 4.45Å; L928-I945 HydrophobicContact CD1-CG2 4.22Å; L928-I945 HydrophobicContact CD2-CB 3.95Å; L928-I945 HydrophobicContact CD2-CG2 3.63Å
929T96.6Very high90Very high2 Ų257.9 Ų57.91%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-119.9122.9173.5-51.50000109.4W851 E860 C861 Q862 L915 R916 R931W851-T929 HydrophobicContact CH2-CG2 3.7Å; W851-T929 HydrophobicContact CZ2-CG2 3.65Å; E860-T929 HydrophobicContact CG-CG2 3.88Å; C861-T929 WeakPolarHBondContact O-CA 3.4Å; Q862-T929 HydrophobicContact CB-CG2 4.48Å; Q862-T929 PolarHBondContact NE2-OG1 2.9Å; L915-T929 WeakPolarHBondContact CA-O 3.28Å; R916-T929 PolarHBondContact N-O 3.5Å; R916-T929 PolarHBondContact O-N 3.22Å; T929-R931 HydrophobicContact CG2-CG 4.45Å
930I96.8Very high90.1Very high0 Ų058.2 Ų58.20%029%0.289CS..EExtended strand (participates in β ladder)trans-117.6128.3172.7-58.9-172.3000109E860 C861 V913 L914 L915 L928 L941 A942 I945E860-I930 WeakPolarHBondContact CA-O 3.43Å; C861-I930 PolarHBondContact N-O 3.48Å; C861-I930 PolarHBondContact O-N 3.11Å; V913-I930 HydrophobicContact CG1-CG2 3.51Å; L914-I930 CarbonylContact O-C 3.41Å; L914-I930 WeakPolarHBondContact O-CA 3.26Å; L915-I930 HydrophobicContact CD1-CD1 4.1Å; L915-I930 HydrophobicContact CD1-CG1 4.17Å; L915-I930 HydrophobicContact CG-CG1 4.37Å; L928-I930 HydrophobicContact CD1-CD1 4.44Å; L928-I930 HydrophobicContact CD1-CG1 4.1Å; L928-I930 HydrophobicContact CG-CG1 4.29Å; I930-L941 HydrophobicContact CD1-CB 3.94Å; I930-A942 HydrophobicContact CD1-CB 4.02Å; I930-A942 HydrophobicContact CG1-CB 4.38Å; I930-I945 HydrophobicContact CD1-CD1 4.07Å
931R96.8Very high90.5Very high30 Ų3055.2 Ų55.211%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-118.5134.7176.6-72.3-174.9179.2170.28110.6W851 L854 R859 E860 V913 L914 T929W851-R931 VanDerWaalsContact C-NH1 3.33Å; W851-R931 HydrophobicContact CE3-CB 4.43Å; W851-R931 HydrophobicContact CE3-CG 4.43Å; W851-R931 HydrophobicContact CH2-CG 4.22Å; W851-R931 HydrophobicContact CZ3-CB 4.24Å; W851-R931 HydrophobicContact CZ3-CG 4.2Å; W851-R931 PolarHBondContact O-NH1 2.92Å; L854-R931 HydrophobicContact CB-CB 3.83Å; L854-R931 HydrophobicContact CB-CG 4.4Å; L854-R931 HydrophobicContact CD1-CB 4.21Å; R859-R931 CarbonylContact O-C 3.58Å; R859-R931 VanDerWaalsContact O-CA 3.23Å; R859-R931 WeakPolarHBondContact O-CA 3.26Å; E860-R931 HydrophobicContact CB-CG 4Å; E860-R931 HydrophobicContact CG-CG 4Å; E860-R931 IonicContact OE2-CZ 3.83Å; E860-R931 IonicContact OE2-NE 2.63Å; E860-R931 PolarHBondContact OE2-NE 3.18Å; E860-R931 IonicContact OE2-NH2 3.09Å; E860-R931 PolarHBondContact OE2-NH2 3.07Å; V913-R931 CarbonylContact C-O 3.57Å; V913-R931 WeakPolarHBondContact CA-O 2.83Å; L914-R931 PolarHBondContact N-O 3.15Å; L914-R931 PolarHBondContact O-N 3.02Å; T929-R931 HydrophobicContact CG2-CG 4.45Å
932S94.7Very high91.1Very high0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-149.4166.1175.7810000111.6R859 G912 R934 S938R859-S932 WeakPolarHBondContact CA-O 3.34Å; R859-S932 VanDerWaalsContact CB-O 3.23Å; R859-S932 WeakPolarHBondContact CB-O 3.3Å; R859-S932 WeakPolarHBondContact CG-O 3.45Å; R859-S932 PolarHBondContact O-N 2.77Å; G912-S932 WeakPolarHBondContact O-CA 3.5Å; G912-S932 WeakPolarHBondContact O-CB 3.37Å; S932-R934 PolarHBondContact O-N 3.33Å; S932-R934 PolarHBondContact OG-N 3.18Å; S932-R934 PolarHBondContact OG-O 3.49Å; S932-S938 PolarHBondContact OG-N 3.14Å
933T85.3Confident91.7Very high66 Ų6647.5 Ų47.541%0.40523%0.228SC..SBendtrans-70.4-10176.153.60000113.5L854L854-T933 HydrophobicContact CD2-CG2 3.8Å
934R88.1Confident92.1Very high127 Ų12741.9 Ų41.948%0.47920%0.199SC..SBendtrans-130.4121.9-176.5-67.5-69.7-166.1164.61.2111.7Q909 V911 S932 I936 V937 S938Q909-R934 VanDerWaalsContact OE1-NE 3.14Å; V911-R934 HydrophobicContact CG1-CB 4.2Å; V911-R934 HydrophobicContact CG1-CG 4.14Å; V911-R934 HydrophobicContact CG2-CG 4.08Å; S932-R934 PolarHBondContact O-N 3.33Å; S932-R934 PolarHBondContact OG-N 3.18Å; S932-R934 PolarHBondContact OG-O 3.49Å; R934-I936 VanDerWaalsContact C-N 3.3Å; R934-I936 PolarHBondContact O-N 3.16Å; R934-V937 HydrophobicContact CB-CB 4.3Å; R934-V937 HydrophobicContact CB-CG2 3.92Å; R934-V937 WeakPolarHBondContact O-CB 3.48Å; R934-V937 PolarHBondContact O-N 3.28Å; R934-S938 PolarHBondContact O-N 3.11Å; R934-S938 PolarHBondContact O-OG 3.45Å
935E87.3Confident92.5Very high131 Ų13134.6 Ų34.661%0.61217%0.167SC*.Hα-helixtrans-50.9-45.3-177.9-168.7169.8176.400114.9G858 V937 S938 S939G858-E935 WeakPolarHBondContact O-CA 3.48Å; G858-E935 WeakPolarHBondContact O-CB 3.43Å; G858-E935 VanDerWaalsContact O-CG 3.26Å; G858-E935 WeakPolarHBondContact O-CG 3.42Å; G858-E935 PolarHBondContact O-N 3.31Å; E935-V937 PolarHBondContact O-N 3.12Å; E935-S938 PolarHBondContact O-N 3.07Å; E935-S938 PolarHBondContact O-OG 3.05Å; E935-S939 WeakPolarHBondContact O-CB 3.22Å; E935-S939 PolarHBondContact O-N 3.16Å; E935-S939 PolarHBondContact O-OG 2.8Å
936I88.4Confident92.5Very high94 Ų9434.2 Ų34.248%0.48217%0.165SC..Hα-helixtrans-58.5-39.5-179.7-61.9169.5000110.5T807 R934 S939 H940T807-I936 HydrophobicContact CG2-CG2 3.55Å; R934-I936 VanDerWaalsContact C-N 3.3Å; R934-I936 PolarHBondContact O-N 3.16Å; I936-S939 PolarHBondContact O-OG 2.55Å; I936-H940 WeakPolarHBondContact O-CB 3.38Å; I936-H940 PolarHBondContact O-N 3.47Å
937V92.9Very high92.4Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-70.8-49.7-178.8178.60000110.9P805 L833 V904 V911 V913 R934 E935 S939 L941P805-V937 HydrophobicContact CB-CG2 3.6Å; P805-V937 HydrophobicContact CG-CG2 3.73Å; L833-V937 HydrophobicContact CD2-CG1 4.34Å; L833-V937 HydrophobicContact CD2-CG2 4.2Å; V904-V937 HydrophobicContact CG2-CG1 4.02Å; V911-V937 HydrophobicContact CG1-CB 4.24Å; V911-V937 HydrophobicContact CG1-CG1 4.18Å; V911-V937 HydrophobicContact CG1-CG2 4.04Å; V913-V937 HydrophobicContact CG2-CG1 3.66Å; R934-V937 HydrophobicContact CB-CB 4.3Å; R934-V937 HydrophobicContact CB-CG2 3.92Å; R934-V937 WeakPolarHBondContact O-CB 3.48Å; R934-V937 PolarHBondContact O-N 3.28Å; E935-V937 PolarHBondContact O-N 3.12Å; V937-S939 VanDerWaalsContact C-N 3.33Å; V937-S939 PolarHBondContact O-N 3.01Å; V937-L941 HydrophobicContact CG1-CD1 3.68Å; V937-L941 HydrophobicContact CG1-CG 4.23Å; V937-L941 WeakPolarHBondContact O-CB 3.23Å; V937-L941 WeakPolarHBondContact O-CG 3.46Å; V937-L941 PolarHBondContact O-N 3.42Å
938S92.4Very high92Very high1 Ų137 Ų371%0.00718%0.177CC..Hα-helixtrans-60.1-43178.936.20000112.4C861 S932 R934 E935 A942C861-S938 WeakPolarHBondContact CB-O 3.25Å; S932-S938 PolarHBondContact OG-N 3.14Å; R934-S938 PolarHBondContact O-N 3.11Å; R934-S938 PolarHBondContact O-OG 3.45Å; E935-S938 PolarHBondContact O-N 3.07Å; E935-S938 PolarHBondContact O-OG 3.05Å; S938-A942 VanDerWaalsContact O-CB 3.3Å; S938-A942 WeakPolarHBondContact O-CB 3.4Å; S938-A942 PolarHBondContact O-N 3.5Å
939S91.5Very high91.5Very high41 Ų4137.1 Ų37.129%0.28718%0.177SC..Hα-helixtrans-72.9-41.4-178.358.70000112.8E935 I936 V937 K943E935-S939 WeakPolarHBondContact O-CB 3.22Å; E935-S939 PolarHBondContact O-N 3.16Å; E935-S939 PolarHBondContact O-OG 2.8Å; I936-S939 PolarHBondContact O-OG 2.55Å; V937-S939 VanDerWaalsContact C-N 3.33Å; V937-S939 PolarHBondContact O-N 3.01Å; S939-K943 WeakPolarHBondContact O-CG 3.21Å; S939-K943 PolarHBondContact O-N 3.13Å
940H93.6Very high91.2Very high24 Ų2438.9 Ų38.911%0.11119%0.185CC..Hα-helixtrans-73.2-44.1-178.2-170.871.3000112.3T807 I936 A942 K943 L944T807-H940 HydrophobicContact CG2-CB 3.85Å; T807-H940 PolarHBondContact O-CE1 3.08Å; I936-H940 WeakPolarHBondContact O-CB 3.38Å; I936-H940 PolarHBondContact O-N 3.47Å; H940-A942 PolarHBondContact O-N 2.91Å; H940-K943 WeakPolarHBondContact O-CB 3.14Å; H940-K943 PolarHBondContact O-N 3.09Å; H940-K943 VanDerWaalsContact O-N 3.17Å; H940-L944 WeakPolarHBondContact O-CG 3.09Å; H940-L944 PolarHBondContact O-N 2.83Å
941L95Very high90.9Very high0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-62.2-35.2175.8-66.6179.6000111.7L833 N834 F883 F885 V904 V913 I930 V937 L944 I945L833-L941 HydrophobicContact CB-CD2 4.34Å; L833-L941 HydrophobicContact CD2-CD2 4.38Å; L833-L941 HydrophobicContact CD2-CG 4.49Å; L833-L941 HydrophobicContact CG-CD2 4.42Å; N834-L941 HydrophobicContact CB-CD2 4.01Å; F883-L941 HydrophobicContact CE1-CD2 4.12Å; F883-L941 HydrophobicContact CZ-CD2 4.32Å; F885-L941 HydrophobicContact CZ-CD1 4.45Å; V904-L941 HydrophobicContact CG2-CD1 4.19Å; V913-L941 HydrophobicContact CB-CD1 4.48Å; V913-L941 HydrophobicContact CG1-CD1 3.87Å; V913-L941 HydrophobicContact CG2-CD1 4.04Å; I930-L941 HydrophobicContact CD1-CB 3.94Å; V937-L941 HydrophobicContact CG1-CD1 3.68Å; V937-L941 HydrophobicContact CG1-CG 4.23Å; V937-L941 WeakPolarHBondContact O-CB 3.23Å; V937-L941 WeakPolarHBondContact O-CG 3.46Å; V937-L941 PolarHBondContact O-N 3.42Å; L941-L944 HydrophobicContact CD2-CD1 4.5Å; L941-L944 PolarHBondContact O-N 3.17Å; L941-I945 PolarHBondContact O-N 3.15Å
942A93.7Very high90.6Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-64-43.3175.900000111.3C861 K863 L928 I930 S938 H940 L944 I945 E946C861-A942 HydrophobicContact CB-CB 4.14Å; K863-A942 HydrophobicContact CG-CB 4.42Å; L928-A942 HydrophobicContact CD2-CB 4.45Å; I930-A942 HydrophobicContact CD1-CB 4.02Å; I930-A942 HydrophobicContact CG1-CB 4.38Å; S938-A942 VanDerWaalsContact O-CB 3.3Å; S938-A942 WeakPolarHBondContact O-CB 3.4Å; S938-A942 PolarHBondContact O-N 3.5Å; H940-A942 PolarHBondContact O-N 2.91Å; A942-L944 VanDerWaalsContact C-N 3.32Å; A942-L944 PolarHBondContact O-N 2.9Å; A942-I945 PolarHBondContact O-N 3.4Å; A942-E946 WeakPolarHBondContact O-CB 3.47Å; A942-E946 PolarHBondContact O-N 2.71Å
943K91.9Very high90.4Very high118 Ų11844 Ų4451%0.51321%0.211SC..Hα-helixtrans-63.9-32.9175.3-74.2178.6-179.7-179.50113.5S939 H940 Q947S939-K943 WeakPolarHBondContact O-CG 3.21Å; S939-K943 PolarHBondContact O-N 3.13Å; H940-K943 WeakPolarHBondContact O-CB 3.14Å; H940-K943 PolarHBondContact O-N 3.09Å; H940-K943 VanDerWaalsContact O-N 3.17Å; K943-Q947 PolarHBondContact O-NE2 3.36Å
944L92.8Very high90.7Very high7 Ų742.6 Ų42.64%0.03720%0.199CC..Hα-helixtrans-74.1-45.3177.1-69.3178.7000111.3L715 T832 F883 H940 L941 A942 E946 Q947L715-L944 WeakPolarHBondContact CD1-O 3.35Å; L715-L944 HydrophobicContact CD2-CD2 4.02Å; T832-L944 HydrophobicContact CG2-CD1 4.43Å; T832-L944 HydrophobicContact CG2-CD2 4.24Å; F883-L944 HydrophobicContact CE2-CB 3.84Å; F883-L944 HydrophobicContact CZ-CB 3.68Å; F883-L944 HydrophobicContact CZ-CD1 4.33Å; H940-L944 WeakPolarHBondContact O-CG 3.09Å; H940-L944 PolarHBondContact O-N 2.83Å; L941-L944 HydrophobicContact CD2-CD1 4.5Å; L941-L944 PolarHBondContact O-N 3.17Å; A942-L944 VanDerWaalsContact C-N 3.32Å; A942-L944 PolarHBondContact O-N 2.9Å; L944-E946 VanDerWaalsContact C-N 3.33Å; L944-E946 PolarHBondContact O-N 3.02Å; L944-Q947 WeakPolarHBondContact O-CB 3.47Å; L944-Q947 PolarHBondContact O-N 3.3Å
945I92.7Very high90.9Very high3 Ų337 Ų372%0.01518%0.181CC..Hα-helixtrans-66.9-35.1177.5-70.6-175.5000111.9F883 F885 L915 L928 I930 L941 A942 Q947 L948 I949F883-I945 HydrophobicContact CD1-CD1 3.62Å; F883-I945 HydrophobicContact CD1-CG1 3.67Å; F883-I945 HydrophobicContact CD2-CG1 3.82Å; F883-I945 HydrophobicContact CE1-CD1 3.63Å; F883-I945 HydrophobicContact CE1-CG1 3.46Å; F883-I945 VanDerWaalsContact CE1-CG1 3.46Å; F883-I945 HydrophobicContact CE2-CG1 3.61Å; F883-I945 HydrophobicContact CG-CD1 4.1Å; F883-I945 HydrophobicContact CG-CG1 3.83Å; F883-I945 HydrophobicContact CZ-CD1 4.14Å; F883-I945 HydrophobicContact CZ-CG1 3.42Å; F883-I945 VanDerWaalsContact CZ-CG1 3.42Å; F885-I945 HydrophobicContact CD2-CD1 4.18Å; F885-I945 HydrophobicContact CE2-CD1 3.69Å; L915-I945 HydrophobicContact CD1-CD1 3.35Å; L928-I945 HydrophobicContact CD1-CG2 4.22Å; L928-I945 HydrophobicContact CD2-CB 3.95Å; L928-I945 HydrophobicContact CD2-CG2 3.63Å; I930-I945 HydrophobicContact CD1-CD1 4.07Å; L941-I945 PolarHBondContact O-N 3.15Å; A942-I945 PolarHBondContact O-N 3.4Å; I945-Q947 PolarHBondContact O-N 3.49Å; I945-Q947 VanDerWaalsContact O-N 3.08Å; I945-L948 WeakPolarHBondContact O-CB 3.48Å; I945-L948 PolarHBondContact O-N 3.4Å; I945-I949 HydrophobicContact CG2-CD1 3.4Å; I945-I949 VanDerWaalsContact CG2-CD1 3.4Å; I945-I949 HydrophobicContact CG2-CG1 3.94Å; I945-I949 PolarHBondContact O-N 3.42Å
946E90.7Very high91.1Very high50 Ų5030.3 Ų30.323%0.23415%0.15CC..THydrogen-bonded Turntrans-55.2-24.2174.9179.9176.7-16600112.8K863 N865 L868 A942 L944 L948K863-E946 IonicContact NZ-OE2 3.88Å; N865-E946 VanDerWaalsContact ND2-CD 3.34Å; N865-E946 PolarHBondContact ND2-OE1 3.46Å; L868-E946 WeakPolarHBondContact CD1-O 3.36Å; A942-E946 WeakPolarHBondContact O-CB 3.47Å; A942-E946 PolarHBondContact O-N 2.71Å; L944-E946 VanDerWaalsContact C-N 3.33Å; L944-E946 PolarHBondContact O-N 3.02Å; E946-L948 VanDerWaalsContact C-N 3.28Å; E946-L948 PolarHBondContact O-N 3.18Å
947Q88.5Confident91.3Very high68 Ų6825.4 Ų25.432%0.31812%0.124SC..THydrogen-bonded Turntrans-81.3-6176.5-64.817055.900113.6T712 L715 K943 L944 I945T712-Q947 HydrophobicContact CG2-CB 4.37Å; L715-Q947 HydrophobicContact CD1-CB 4.31Å; K943-Q947 PolarHBondContact O-NE2 3.36Å; L944-Q947 WeakPolarHBondContact O-CB 3.47Å; L944-Q947 PolarHBondContact O-N 3.3Å; I945-Q947 PolarHBondContact O-N 3.49Å; I945-Q947 VanDerWaalsContact O-N 3.08Å
948L86.7Confident91.2Very high16 Ų1627.5 Ų27.58%0.08414%0.135CC..THydrogen-bonded Turntrans-116.2-13-174.6-63.9172.2000114.1L715 T716 F869 T879 F883 I945 E946L715-L948 HydrophobicContact CB-CD1 3.75Å; L715-L948 HydrophobicContact CB-CD2 4.11Å; L715-L948 HydrophobicContact CB-CG 4.22Å; L715-L948 HydrophobicContact CD1-CD1 4.3Å; L715-L948 HydrophobicContact CD1-CD2 4.32Å; L715-L948 HydrophobicContact CD1-CG 4.12Å; T716-L948 HydrophobicContact CG2-CD1 3.56Å; T716-L948 HydrophobicContact CG2-CD2 4.02Å; T716-L948 HydrophobicContact CG2-CG 4.39Å; F869-L948 VanDerWaalsContact CD2-O 3.27Å; F869-L948 WeakPolarHBondContact CD2-O 3.26Å; T879-L948 HydrophobicContact CG2-CB 3.65Å; T879-L948 HydrophobicContact CG2-CD1 4.1Å; T879-L948 HydrophobicContact CG2-CG 4.46Å; F883-L948 HydrophobicContact CD2-CD1 3.51Å; F883-L948 HydrophobicContact CE2-CD1 4.07Å; I945-L948 WeakPolarHBondContact O-CB 3.48Å; I945-L948 PolarHBondContact O-N 3.4Å; E946-L948 VanDerWaalsContact C-N 3.28Å; E946-L948 PolarHBondContact O-N 3.18Å
949I84.9Confident91.1Very high2 Ų229.9 Ų29.91%0.0115%0.146CC..  trans-107.10-179.5-58.3179.3000108.2P867 L868 F869 L876 L917 Y926 I945P867-I949 CarbonylContact C-O 3.59Å; P867-I949 WeakPolarHBondContact CA-O 3.42Å; P867-I949 WeakPolarHBondContact CB-O 3.39Å; L868-I949 WeakPolarHBondContact CB-OXT 3.42Å; L868-I949 VanDerWaalsContact N-C 3.27Å; L868-I949 PolarHBondContact N-O 3.36Å; L868-I949 PolarHBondContact N-OXT 3.37Å; F869-I949 PolarHBondContact N-O 2.69Å; L876-I949 HydrophobicContact CD2-CG1 4.41Å; L876-I949 HydrophobicContact CD2-CG2 3.93Å; L917-I949 HydrophobicContact CD1-CD1 3.63Å; L917-I949 HydrophobicContact CD2-CD1 3.55Å; L917-I949 HydrophobicContact CG-CD1 4.23Å; Y926-I949 HydrophobicContact CD1-CG2 3.55Å; Y926-I949 HydrophobicContact CD2-CG2 4.05Å; Y926-I949 HydrophobicContact CE1-CB 4.17Å; Y926-I949 HydrophobicContact CE1-CG2 3.58Å; Y926-I949 HydrophobicContact CE2-CB 4.38Å; Y926-I949 HydrophobicContact CE2-CD1 4.31Å; Y926-I949 HydrophobicContact CE2-CG2 4.07Å; Y926-I949 HydrophobicContact CG-CG2 3.8Å; I945-I949 HydrophobicContact CG2-CD1 3.4Å; I945-I949 VanDerWaalsContact CG2-CD1 3.4Å; I945-I949 HydrophobicContact CG2-CG1 3.94Å; I945-I949 PolarHBondContact O-N 3.42Å

Retrieved 949 of 949 residues in 1922 ms (Link to these results)

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