A0A077ZKP6_TRITR Loading...

Reverse transcriptase/retrotransposon-derived protein RNase H-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 478 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
1M36.8Very low31.1Very low234 Ų234146.5 Ų146.5100%1.15375%0.745SS**  0134.80-69.9166.8176.400107.3N3M1-N3 PolarHBondContact O-N 3.38Å
2S33.7Very low31.9Very low113 Ų113138 Ų13879%0.7972%0.721SS**  trans-69.4118.7179.9-1710000109S4S2-S4 PolarHBondContact O-N 3.07Å
3N30.2Very low33.4Very low156 Ų156128.5 Ų128.583%0.83468%0.675SS**  trans-73.474.5168.1-80.2-16000108.1M1 S5M1-N3 PolarHBondContact O-N 3.38Å; N3-S5 PolarHBondContact O-N 2.91Å
4S28.2Very low35.2Very low90 Ų90124.6 Ų124.663%0.62966%0.664SS**  trans-6296.616055.70000106.6S2 F6S2-S4 PolarHBondContact O-N 3.07Å; S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.13Å
5S27.3Very low37Very low90 Ų90122.2 Ų122.263%0.62966%0.658SS**  trans-53.4104.2167390000106.9N3 F7N3-S5 PolarHBondContact O-N 2.91Å; S5-F7 PolarHBondContact O-N 3.05Å
6F27.1Very low38.6Very low183 Ų183115.7 Ų115.780%0.80362%0.623SS**  trans-71.175.5174.6-135.7-91.5000106.1S4 L8S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.13Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 3.06Å
7F25.9Very low40.4Very low174 Ų174113.9 Ų113.976%0.76361%0.613SS**  trans-51.6107.1162.1-92.5-89000105.1S5 R9S5-F7 PolarHBondContact O-N 3.05Å; F7-R9 PolarHBondContact O-N 3.07Å
8L31.3Very low41.6Very low125 Ų125110.4 Ų110.465%0.65460%0.596SS**  trans-55.996.9172.6-73.8164.2000106.3F6 N10F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 3.06Å; L8-N10 PolarHBondContact O-N 2.75Å
9R29Very low42.8Very low211 Ų211108.8 Ų108.880%0.79659%0.594SS**  trans-66.988.4171.6-84.7-173.4173.8-173.3-0.9105.8F7 H11F7-R9 PolarHBondContact O-N 3.07Å; R9-H11 PolarHBondContact O-N 3.03Å
10N36.9Very low43.9Very low72 Ų72108.1 Ų108.139%0.38559%0.586SS.*  trans-67.746177.8-76.4-14.6000111.9L8 G12L8-N10 PolarHBondContact O-N 2.75Å; N10-G12 PolarHBondContact O-N 3.24Å
11H36.3Very low44.9Very low163 Ų163105.6 Ų105.676%0.75558%0.576SS**THydrogen-bonded Turntrans-68.8-10.9172.2-69.1-52000112.6R9R9-H11 PolarHBondContact O-N 3.03Å
12G40.8Very low46.2Very low45 Ų4598.1 Ų98.146%0.46455%0.551SS.*THydrogen-bonded Turntrans-107.1-4.6-178.200000115.9N10 R30N10-G12 PolarHBondContact O-N 3.24Å; G12-R30 PolarHBondContact O-NE 3.36Å; G12-R30 PolarHBondContact O-NH2 3.15Å
13A50.3Low48.1Very low14 Ų1498.9 Ų98.912%0.11654%0.541CS..  trans-144.393.4-175.700000111.5V53A13-V53 HydrophobicContact CB-CG1 3.51Å
14S58.7Low50.6Low75 Ų7591.5 Ų91.552%0.52450%0.501SS..PPolyproline II helixtrans-61.7142.7169.3-47.40000109.7
15P63.3Low53.1Low88 Ų8890.3 Ų90.357%0.57149%0.487SS*.PPolyproline II helixtrans-60.6150.7174.926.7-34.6000111.1D17 V53P15-D17 PolarHBondContact O-N 2.66Å; P15-V53 WeakPolarHBondContact CA-O 3.49Å
16L62.4Low55.6Low18 Ų1888.9 Ų88.99%0.09448%0.481CS..PPolyproline II helixtrans-62.7124.8175.6-178.476000109.8V18 W24 Y27 T58 F87L16-V18 HydrophobicContact CD2-CG1 4.4Å; L16-V18 PolarHBondContact O-N 3.37Å; L16-W24 HydrophobicContact CD1-CE3 4.23Å; L16-W24 HydrophobicContact CD2-CE3 3.74Å; L16-W24 HydrophobicContact CD2-CZ3 3.91Å; L16-Y27 HydrophobicContact CB-CD2 4.36Å; L16-Y27 HydrophobicContact CB-CE1 4.4Å; L16-Y27 HydrophobicContact CB-CE2 4.12Å; L16-Y27 HydrophobicContact CD1-CD1 4Å; L16-Y27 HydrophobicContact CD1-CD2 3.99Å; L16-Y27 HydrophobicContact CD1-CG 3.68Å; L16-T58 HydrophobicContact CD2-CG2 3.64Å; L16-F87 HydrophobicContact CD2-CE2 3.89Å; L16-F87 HydrophobicContact CD2-CZ 4.02Å
17D68.4Low58.3Low86 Ų8681.2 Ų81.246%0.4645%0.447SS..  trans-78.999.5168.1-175.2-2.4000109.7P15 S19 Q20P15-D17 PolarHBondContact O-N 2.66Å; D17-S19 PolarHBondContact O-N 3.19Å; D17-S19 VanDerWaalsContact O-N 3.14Å; D17-S19 WeakPolarHBondContact OD1-CA 3.4Å; D17-S19 VanDerWaalsContact OD1-CB 3.26Å; D17-S19 WeakPolarHBondContact OD1-CB 3.36Å; D17-S19 PolarHBondContact OD1-N 3.26Å; D17-S19 PolarHBondContact OD1-OG 2.89Å; D17-S19 PolarHBondContact OD2-OG 2.99Å; D17-S19 VanDerWaalsContact OD2-OG 3.08Å; D17-Q20 PolarHBondContact O-N 3.36Å
18V62.3Low61.2Low51 Ų5173.6 Ų73.631%0.30942%0.416SS..THydrogen-bonded Turntrans-61.7-13175.5-84.40000114L16 Q20 P57 T58 I61 F87L16-V18 HydrophobicContact CD2-CG1 4.4Å; L16-V18 PolarHBondContact O-N 3.37Å; V18-Q20 VanDerWaalsContact C-N 3.3Å; V18-P57 HydrophobicContact CG2-CB 3.82Å; V18-T58 HydrophobicContact CG1-CG2 4.47Å; V18-T58 WeakPolarHBondContact CG1-OG1 3.16Å; V18-I61 HydrophobicContact CG1-CD1 3.93Å; V18-F87 HydrophobicContact CG1-CE1 4.11Å; V18-F87 HydrophobicContact CG1-CZ 3.97Å
19S64.1Low63.7Low79 Ų7973.2 Ų73.255%0.55241%0.411SS*.THydrogen-bonded Turntrans-78.9-12.4171.479.50000113.5D17 P21D17-S19 PolarHBondContact O-N 3.19Å; D17-S19 VanDerWaalsContact O-N 3.14Å; D17-S19 WeakPolarHBondContact OD1-CA 3.4Å; D17-S19 VanDerWaalsContact OD1-CB 3.26Å; D17-S19 WeakPolarHBondContact OD1-CB 3.36Å; D17-S19 PolarHBondContact OD1-N 3.26Å; D17-S19 PolarHBondContact OD1-OG 2.89Å; D17-S19 PolarHBondContact OD2-OG 2.99Å; D17-S19 VanDerWaalsContact OD2-OG 3.08Å; S19-P21 VanDerWaalsContact C-CD 3.45Å; S19-P21 WeakPolarHBondContact O-CD 3.25Å
20Q64.6Low66.3Low94 Ų9468.8 Ų68.844%0.43939%0.394SS..  trans-122.466.6-177.5-59.7-63.5-38.500111.9D17 V18 A22 F23D17-Q20 PolarHBondContact O-N 3.36Å; V18-Q20 VanDerWaalsContact C-N 3.3Å; Q20-A22 PolarHBondContact O-N 3.36Å; Q20-A22 VanDerWaalsContact O-N 3.07Å; Q20-F23 HydrophobicContact CB-CD2 3.63Å; Q20-F23 HydrophobicContact CB-CE2 3.91Å; Q20-F23 HydrophobicContact CG-CE2 4.39Å; Q20-F23 PolarHBondContact O-N 2.99Å
21P65.3Low68.7Low56 Ų5665.7 Ų65.736%0.36438%0.378SS..G310 helixtrans-60.8-23.4-172.624.8-35.5000114.5S19 F23 W24 F87S19-P21 VanDerWaalsContact C-CD 3.45Å; S19-P21 WeakPolarHBondContact O-CD 3.25Å; P21-F23 PolarHBondContact O-N 2.86Å; P21-W24 WeakPolarHBondContact O-CB 3.49Å; P21-W24 PolarHBondContact O-N 2.89Å; P21-W24 VanDerWaalsContact O-N 3.13Å; P21-F87 HydrophobicContact CB-CB 3.89Å; P21-F87 HydrophobicContact CB-CD1 3.97Å; P21-F87 HydrophobicContact CB-CG 4.32Å
22A64.8Low71.1Confident78 Ų7863.4 Ų63.465%0.64537%0.366SS*.G310 helixtrans-60.4-23.6178.700000114.1Q20 W24Q20-A22 PolarHBondContact O-N 3.36Å; Q20-A22 VanDerWaalsContact O-N 3.07Å; A22-W24 VanDerWaalsContact C-N 3.33Å
23F73.4Confident73.3Confident129 Ų12966.6 Ų66.657%0.56637%0.367SS*.G310 helixtrans-87.85178.4-58.5-70.1000114.1Q20 P21 D25 A26 Y27Q20-F23 HydrophobicContact CB-CD2 3.63Å; Q20-F23 HydrophobicContact CB-CE2 3.91Å; Q20-F23 HydrophobicContact CG-CE2 4.39Å; Q20-F23 PolarHBondContact O-N 2.99Å; P21-F23 PolarHBondContact O-N 2.86Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 3.19Å; F23-A26 PolarHBondContact O-N 3.01Å; F23-Y27 WeakPolarHBondContact O-CB 3.13Å; F23-Y27 PolarHBondContact O-N 3.47Å
24W83.3Confident74.9Confident1 Ų168.4 Ų68.40%0.00437%0.372CS..Hα-helixtrans-56.8-43.8-178.6171.1-99.6000112.9L16 P21 A22 Y27 A28 L50 V80 L83 F87 I88L16-W24 HydrophobicContact CD1-CE3 4.23Å; L16-W24 HydrophobicContact CD2-CE3 3.74Å; L16-W24 HydrophobicContact CD2-CZ3 3.91Å; P21-W24 WeakPolarHBondContact O-CB 3.49Å; P21-W24 PolarHBondContact O-N 2.89Å; P21-W24 VanDerWaalsContact O-N 3.13Å; A22-W24 VanDerWaalsContact C-N 3.33Å; W24-Y27 HydrophobicContact CE3-CD1 4.23Å; W24-Y27 AromaticContact CZ3-CD1 3.95Å; W24-Y27 HydrophobicContact CZ3-CD1 3.95Å; W24-Y27 HydrophobicContact CZ3-CE1 4.24Å; W24-Y27 PolarHBondContact O-N 3.08Å; W24-A28 HydrophobicContact CZ2-CB 4.24Å; W24-A28 WeakPolarHBondContact O-CB 3.36Å; W24-A28 PolarHBondContact O-N 3.2Å; W24-L50 HydrophobicContact CH2-CD1 4.27Å; W24-V80 HydrophobicContact CZ2-CB 4.42Å; W24-V80 HydrophobicContact CZ2-CG1 4.14Å; W24-V80 HydrophobicContact CZ2-CG2 4.39Å; W24-L83 HydrophobicContact CD2-CB 4.42Å; W24-L83 HydrophobicContact CH2-CB 3.7Å; W24-L83 HydrophobicContact CH2-CD1 3.42Å; W24-L83 VanDerWaalsContact CH2-CD1 3.42Å; W24-L83 HydrophobicContact CH2-CG 4.19Å; W24-L83 HydrophobicContact CZ2-CB 3.45Å; W24-L83 VanDerWaalsContact CZ2-CB 3.45Å; W24-L83 HydrophobicContact CZ2-CD1 4Å; W24-L83 HydrophobicContact CZ2-CG 4.37Å; W24-L83 HydrophobicContact CZ3-CB 4.26Å; W24-L83 HydrophobicContact CZ3-CD1 4.02Å; W24-F87 HydrophobicContact CB-CB 4.1Å; W24-F87 HydrophobicContact CB-CD2 4.26Å; W24-F87 AromaticContact CD2-CD2 3.82Å; W24-F87 HydrophobicContact CD2-CD2 3.82Å; W24-F87 HydrophobicContact CD2-CE2 4.35Å; W24-F87 AromaticContact CE3-CD2 3.78Å; W24-F87 HydrophobicContact CE3-CD2 3.78Å; W24-F87 AromaticContact CE3-CE2 3.86Å; W24-F87 HydrophobicContact CE3-CE2 3.86Å; W24-F87 HydrophobicContact CG-CB 4.37Å; W24-F87 HydrophobicContact CG-CD2 4.01Å; W24-F87 HydrophobicContact CZ3-CE2 4.26Å; W24-I88 HydrophobicContact CB-CD1 4.03Å; W24-I88 HydrophobicContact CB-CG1 4.36Å
25D80.5Confident76.3Confident64 Ų6465 Ų6534%0.34235%0.349SS..Hα-helixtrans-65.1-45.7-178.8-81.2-27.1000112.3F23 Y27 A28 E29 K84 I88F23-D25 VanDerWaalsContact C-N 3.34Å; F23-D25 PolarHBondContact O-N 3.19Å; D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; D25-A28 PolarHBondContact O-N 3.26Å; D25-E29 WeakPolarHBondContact O-CB 3.49Å; D25-E29 PolarHBondContact O-N 3.4Å; D25-K84 IonicContact OD1-NZ 3.35Å; D25-K84 PolarHBondContact OD1-NZ 2.96Å; D25-K84 IonicContact OD2-NZ 2.74Å; D25-K84 PolarHBondContact OD2-NZ 2.87Å; D25-I88 HydrophobicContact CB-CD1 4.36Å
26A79.3Confident77.4Confident60 Ų6066.2 Ų66.250%0.49635%0.346SS..Hα-helixtrans-63.1-34.8174.800000112.4F23 R30F23-A26 PolarHBondContact O-N 3.01Å; A26-R30 VanDerWaalsContact O-CB 3.26Å; A26-R30 WeakPolarHBondContact O-CB 3.47Å; A26-R30 PolarHBondContact O-N 3.07Å
27Y83.6Confident78.4Confident23 Ų2369.5 Ų69.59%0.0938%0.376CS..Hα-helixtrans-69.2-44.2174.5178.3-88.8000112L16 F23 W24 D25 R30 L31 V53 C54L16-Y27 HydrophobicContact CB-CD2 4.36Å; L16-Y27 HydrophobicContact CB-CE1 4.4Å; L16-Y27 HydrophobicContact CB-CE2 4.12Å; L16-Y27 HydrophobicContact CD1-CD1 4Å; L16-Y27 HydrophobicContact CD1-CD2 3.99Å; L16-Y27 HydrophobicContact CD1-CG 3.68Å; F23-Y27 WeakPolarHBondContact O-CB 3.13Å; F23-Y27 PolarHBondContact O-N 3.47Å; W24-Y27 HydrophobicContact CE3-CD1 4.23Å; W24-Y27 AromaticContact CZ3-CD1 3.95Å; W24-Y27 HydrophobicContact CZ3-CD1 3.95Å; W24-Y27 HydrophobicContact CZ3-CE1 4.24Å; W24-Y27 PolarHBondContact O-N 3.08Å; D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; Y27-R30 PolarHBondContact O-N 2.98Å; Y27-L31 HydrophobicContact CE1-CD2 4.34Å; Y27-L31 WeakPolarHBondContact O-CB 3.45Å; Y27-L31 PolarHBondContact O-N 3.26Å; Y27-V53 WeakPolarHBondContact OH-CG1 3.39Å; Y27-C54 VanDerWaalsContact CE1-SG 3.5Å; Y27-C54 WeakPolarHBondContact OH-CA 3.43Å; Y27-C54 PolarHBondContact OH-N 3.17Å; Y27-C54 PolarHBondContact OH-SG 3.25Å
28A85.8Confident79.2Confident14 Ų1469.8 Ų69.812%0.11638%0.378CS..Hα-helixtrans-64.5-39.9178.700000111.7W24 D25 L31 K32 V80W24-A28 HydrophobicContact CZ2-CB 4.24Å; W24-A28 WeakPolarHBondContact O-CB 3.36Å; W24-A28 PolarHBondContact O-N 3.2Å; D25-A28 PolarHBondContact O-N 3.26Å; A28-L31 PolarHBondContact O-N 2.97Å; A28-K32 PolarHBondContact O-N 3.17Å; A28-V80 HydrophobicContact CB-CG1 4.39Å
29E85.2Confident80.4Confident116 Ų11669.9 Ų69.954%0.54239%0.389SS..Hα-helixtrans-66.6-45.9173.9-177.2168.4-138.100112D25 L31 K32 F33D25-E29 WeakPolarHBondContact O-CB 3.49Å; D25-E29 PolarHBondContact O-N 3.4Å; E29-L31 VanDerWaalsContact C-N 3.28Å; E29-L31 PolarHBondContact O-N 2.77Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 VanDerWaalsContact O-N 3.14Å; E29-F33 HydrophobicContact CG-CD2 3.94Å; E29-F33 HydrophobicContact CG-CE2 3.53Å; E29-F33 HydrophobicContact CG-CZ 4.44Å; E29-F33 VanDerWaalsContact O-CD2 3.32Å; E29-F33 WeakPolarHBondContact O-CD2 3.36Å; E29-F33 PolarHBondContact O-N 2.86Å
30R84Confident81.5Confident118 Ų11867.3 Ų67.345%0.44537%0.369SS..Hα-helixtrans-57.2-40.8172.5178.9-175.9178.1177.84.9112.1G12 A26 Y27 F33 F34G12-R30 PolarHBondContact O-NE 3.36Å; G12-R30 PolarHBondContact O-NH2 3.15Å; A26-R30 VanDerWaalsContact O-CB 3.26Å; A26-R30 WeakPolarHBondContact O-CB 3.47Å; A26-R30 PolarHBondContact O-N 3.07Å; Y27-R30 PolarHBondContact O-N 2.98Å; R30-F33 PolarHBondContact O-N 3.08Å; R30-F34 WeakPolarHBondContact O-CB 3.08Å; R30-F34 PolarHBondContact O-N 3.1Å
31L86.8Confident82.6Confident7 Ų768.3 Ų68.34%0.03738%0.382CS..Hα-helixtrans-69.1-36.5177.6-17863.6000111.9Y27 A28 E29 F34 C35 T49 L50 Y76Y27-L31 HydrophobicContact CE1-CD2 4.34Å; Y27-L31 WeakPolarHBondContact O-CB 3.45Å; Y27-L31 PolarHBondContact O-N 3.26Å; A28-L31 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.28Å; E29-L31 PolarHBondContact O-N 2.77Å; L31-F34 HydrophobicContact CD1-CD1 4.37Å; L31-F34 WeakPolarHBondContact O-CB 3.44Å; L31-F34 PolarHBondContact O-N 2.89Å; L31-C35 PolarHBondContact O-N 2.98Å; L31-C35 PolarHBondContact O-SG 3.33Å; L31-T49 HydrophobicContact CD1-CG2 4.08Å; L31-L50 HydrophobicContact CD2-CB 3.99Å; L31-L50 HydrophobicContact CD2-CD1 3.28Å; L31-L50 HydrophobicContact CD2-CG 4.24Å; L31-Y76 HydrophobicContact CD2-CE2 4.22Å
32K87.1Confident83.7Confident116 Ų11669.3 Ų69.350%0.50438%0.384SS..Hα-helixtrans-59.1-51.4171.7179.7-173.4169.4-169.80110.7A28 E29 F34 C35 E36A28-K32 PolarHBondContact O-N 3.17Å; E29-K32 WeakPolarHBondContact O-CB 3.47Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 VanDerWaalsContact O-N 3.14Å; K32-F34 VanDerWaalsContact C-N 3.31Å; K32-F34 PolarHBondContact O-N 2.78Å; K32-C35 WeakPolarHBondContact O-CB 3.43Å; K32-C35 PolarHBondContact O-N 3.05Å; K32-C35 VanDerWaalsContact O-N 3.14Å; K32-E36 WeakPolarHBondContact CE-OE1 3.36Å; K32-E36 WeakPolarHBondContact CG-OE1 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.37Å; K32-E36 PolarHBondContact O-N 3.26Å
33F85.8Confident84.8Confident112 Ų11268.1 Ų68.149%0.49137%0.367SS..Hα-helixtrans-62.1-35.7175.5-71-54.2000113E29 R30 E36 A37E29-F33 HydrophobicContact CG-CD2 3.94Å; E29-F33 HydrophobicContact CG-CE2 3.53Å; E29-F33 HydrophobicContact CG-CZ 4.44Å; E29-F33 VanDerWaalsContact O-CD2 3.32Å; E29-F33 WeakPolarHBondContact O-CD2 3.36Å; E29-F33 PolarHBondContact O-N 2.86Å; R30-F33 PolarHBondContact O-N 3.08Å; F33-E36 PolarHBondContact O-N 3Å; F33-A37 VanDerWaalsContact O-CB 3.29Å; F33-A37 WeakPolarHBondContact O-CB 3.45Å; F33-A37 PolarHBondContact O-N 3.47Å
34F84.8Confident85.5Confident52 Ų5264.2 Ų64.223%0.22836%0.359CS..Hα-helixtrans-62.5-44.2172.8179.2-88.5000111.8R30 L31 K32 N38 I40 T49R30-F34 WeakPolarHBondContact O-CB 3.08Å; R30-F34 PolarHBondContact O-N 3.1Å; L31-F34 HydrophobicContact CD1-CD1 4.37Å; L31-F34 WeakPolarHBondContact O-CB 3.44Å; L31-F34 PolarHBondContact O-N 2.89Å; K32-F34 VanDerWaalsContact C-N 3.31Å; K32-F34 PolarHBondContact O-N 2.78Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.48Å; F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 3.21Å; F34-N38 VanDerWaalsContact O-N 3.09Å; F34-N38 PolarHBondContact O-ND2 3.3Å; F34-I40 HydrophobicContact CE1-CD1 4.28Å; F34-T49 HydrophobicContact CD1-CG2 3.87Å; F34-T49 HydrophobicContact CE1-CG2 3.62Å
35C88.1Confident85.8Confident4 Ų470.4 Ų70.43%0.02739%0.385CS..Hα-helixtrans-62.5-44.4175.8-72.20000111.4L31 K32 N38 G39 I40 K46L31-C35 PolarHBondContact O-N 2.98Å; L31-C35 PolarHBondContact O-SG 3.33Å; K32-C35 WeakPolarHBondContact O-CB 3.43Å; K32-C35 PolarHBondContact O-N 3.05Å; K32-C35 VanDerWaalsContact O-N 3.14Å; C35-N38 PolarHBondContact O-N 3.45Å; C35-G39 PolarHBondContact O-N 3.21Å; C35-G39 VanDerWaalsContact O-N 3.16Å; C35-I40 HydrophobicContact CB-CB 3.98Å; C35-I40 WeakPolarHBondContact O-CB 3.23Å; C35-I40 PolarHBondContact O-N 3.23Å; C35-K46 HydrophobicContact CB-CG 4.48Å
36E85.6Confident86.2Confident112 Ų11270.2 Ų70.252%0.52338%0.382SS..Hα-helixtrans-61.1-49.6176.6-71.3170-171.100111.9K32 F33 N38 G39K32-E36 WeakPolarHBondContact CE-OE1 3.36Å; K32-E36 WeakPolarHBondContact CG-OE1 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.37Å; K32-E36 PolarHBondContact O-N 3.26Å; F33-E36 PolarHBondContact O-N 3Å; E36-N38 VanDerWaalsContact C-N 3.26Å; E36-N38 PolarHBondContact O-N 3.12Å; E36-G39 PolarHBondContact O-N 3.5Å; E36-G39 VanDerWaalsContact O-N 3.09Å
37A83.2Confident86.6Confident87 Ų8769.1 Ų69.172%0.71936%0.364SS*.Hα-helixtrans-62.9-28.3179.400000113.9F33F33-A37 VanDerWaalsContact O-CB 3.29Å; F33-A37 WeakPolarHBondContact O-CB 3.45Å; F33-A37 PolarHBondContact O-N 3.47Å
38N86.9Confident86.8Confident92 Ų9270.8 Ų70.849%0.49238%0.383SS..THydrogen-bonded Turntrans-96.68.1177.3-70.3-86.8000113.4F34 C35 E36 I40F34-N38 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.48Å; F34-N38 WeakPolarHBondContact O-CB 3.47Å; F34-N38 PolarHBondContact O-N 3.21Å; F34-N38 VanDerWaalsContact O-N 3.09Å; F34-N38 PolarHBondContact O-ND2 3.3Å; C35-N38 PolarHBondContact O-N 3.45Å; E36-N38 VanDerWaalsContact C-N 3.26Å; E36-N38 PolarHBondContact O-N 3.12Å; N38-I40 HydrophobicContact CB-CD1 3.81Å; N38-I40 HydrophobicContact CB-CG1 3.75Å; N38-I40 PolarHBondContact O-N 2.61Å
39G86.8Confident86.8Confident53 Ų5371.2 Ų71.255%0.54638%0.384SS..THydrogen-bonded Turntrans65.724.1-179.900000114.4C35 E36 T41C35-G39 PolarHBondContact O-N 3.21Å; C35-G39 VanDerWaalsContact O-N 3.16Å; E36-G39 PolarHBondContact O-N 3.5Å; E36-G39 VanDerWaalsContact O-N 3.09Å; G39-T41 PolarHBondContact O-N 3.44Å
40I87.7Confident86.8Confident25 Ų2565.7 Ų65.713%0.12836%0.359CS..  trans-84.379.9-177.1-50.3-178000109.1F34 C35 N38 K45 K46 T49F34-I40 HydrophobicContact CE1-CD1 4.28Å; C35-I40 HydrophobicContact CB-CB 3.98Å; C35-I40 WeakPolarHBondContact O-CB 3.23Å; C35-I40 PolarHBondContact O-N 3.23Å; N38-I40 HydrophobicContact CB-CD1 3.81Å; N38-I40 HydrophobicContact CB-CG1 3.75Å; N38-I40 PolarHBondContact O-N 2.61Å; I40-K45 HydrophobicContact CG2-CB 3.54Å; I40-K46 HydrophobicContact CG2-CG 3.98Å; I40-K46 WeakPolarHBondContact O-CE 3.43Å; I40-T49 HydrophobicContact CD1-CG2 4.2Å; I40-T49 WeakPolarHBondContact CD1-OG1 3.38Å
41T86.5Confident86.8Confident116 Ų11662 Ų6271%0.71235%0.346SS*.  trans-83.5-43.8179.451.40000112.8G39 K46G39-T41 PolarHBondContact O-N 3.44Å; T41-K46 VanDerWaalsContact O-CE 3.22Å; T41-K46 WeakPolarHBondContact O-CE 3.3Å; T41-K46 PolarHBondContact O-NZ 2.97Å
42D88.8Confident86.5Confident77 Ų7765 Ų6541%0.41237%0.372SS..SBendtrans-60.7136.1-177.2171.867000113.4A44 K45 K46D42-A44 WeakPolarHBondContact OD2-CA 3.29Å; D42-A44 WeakPolarHBondContact OD2-CB 3.46Å; D42-A44 PolarHBondContact OD2-N 3.4Å; D42-A44 VanDerWaalsContact OD2-N 3.14Å; D42-K45 HydrophobicContact CB-CB 4.28Å; D42-K45 HydrophobicContact CB-CD 4.16Å; D42-K45 HydrophobicContact CB-CG 4.16Å; D42-K45 PolarHBondContact O-N 3.43Å; D42-K45 WeakPolarHBondContact OD2-CG 3.27Å; D42-K45 PolarHBondContact OD2-N 2.93Å; D42-K46 WeakPolarHBondContact O-CG 3.33Å; D42-K46 PolarHBondContact O-N 3.47Å
43D87.8Confident86.2Confident52 Ų5260 Ų6028%0.27835%0.351SS..Hα-helixtrans-67-39.3-175.6-173.385.4000112.7K45 K46 R47 Y76D43-K45 PolarHBondContact O-N 3.32Å; D43-K46 PolarHBondContact O-N 2.86Å; D43-R47 WeakPolarHBondContact O-CG 3.33Å; D43-R47 PolarHBondContact O-N 2.77Å; D43-R47 PolarHBondContact O-NE 3.06Å; D43-R47 WeakPolarHBondContact OD2-CD 3.48Å; D43-R47 IonicContact OD2-CZ 3.2Å; D43-R47 IonicContact OD2-NE 2.84Å; D43-R47 PolarHBondContact OD2-NE 3.15Å; D43-R47 IonicContact OD2-NH1 3.87Å; D43-R47 IonicContact OD2-NH2 3.6Å; D43-Y76 WeakPolarHBondContact OD1-CB 3.35Å; D43-Y76 PolarHBondContact OD1-N 2.78Å; D43-Y76 PolarHBondContact OD2-N 2.85Å
44A88.3Confident85.6Confident48 Ų4854.8 Ų54.840%0.39733%0.328SS..Hα-helixtrans-65.2-40.4176.100000111.4D42 R47 A48D42-A44 WeakPolarHBondContact OD2-CA 3.29Å; D42-A44 WeakPolarHBondContact OD2-CB 3.46Å; D42-A44 PolarHBondContact OD2-N 3.4Å; D42-A44 VanDerWaalsContact OD2-N 3.14Å; A44-R47 PolarHBondContact O-N 2.93Å; A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.45Å
45K88.8Confident85.2Confident130 Ų13053.3 Ų53.357%0.56533%0.328SS*.Hα-helixtrans-64.4-43.5171.9-65.2-179.5-174175.60112.2I40 D42 D43 R47 A48 T49I40-K45 HydrophobicContact CG2-CB 3.54Å; D42-K45 HydrophobicContact CB-CB 4.28Å; D42-K45 HydrophobicContact CB-CD 4.16Å; D42-K45 HydrophobicContact CB-CG 4.16Å; D42-K45 PolarHBondContact O-N 3.43Å; D42-K45 WeakPolarHBondContact OD2-CG 3.27Å; D42-K45 PolarHBondContact OD2-N 2.93Å; D43-K45 PolarHBondContact O-N 3.32Å; K45-R47 PolarHBondContact O-N 3.02Å; K45-A48 PolarHBondContact O-N 3.37Å; K45-T49 WeakPolarHBondContact O-CB 3.36Å; K45-T49 PolarHBondContact O-N 3.27Å; K45-T49 PolarHBondContact O-OG1 3.12Å
46K89.2Confident84.3Confident61 Ų6159.8 Ų59.827%0.26536%0.362SS..Hα-helixtrans-57.9-45.7176.1-74.4174176.8161.30112C35 I40 T41 D42 D43 T49 L50 Y76C35-K46 HydrophobicContact CB-CG 4.48Å; I40-K46 HydrophobicContact CG2-CG 3.98Å; I40-K46 WeakPolarHBondContact O-CE 3.43Å; T41-K46 VanDerWaalsContact O-CE 3.22Å; T41-K46 WeakPolarHBondContact O-CE 3.3Å; T41-K46 PolarHBondContact O-NZ 2.97Å; D42-K46 WeakPolarHBondContact O-CG 3.33Å; D42-K46 PolarHBondContact O-N 3.47Å; D43-K46 PolarHBondContact O-N 2.86Å; K46-T49 PolarHBondContact O-N 3.42Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 PolarHBondContact O-N 2.94Å; K46-Y76 HydrophobicContact CB-CD1 4.3Å; K46-Y76 HydrophobicContact CB-CD2 3.63Å; K46-Y76 HydrophobicContact CB-CE2 4.15Å; K46-Y76 HydrophobicContact CB-CG 3.7Å; K46-Y76 HydrophobicContact CD-CD1 4.07Å; K46-Y76 HydrophobicContact CD-CG 4.22Å
47R88.3Confident83.7Confident36 Ų3658.4 Ų58.414%0.13636%0.363CS..Hα-helixtrans-62.3-45.1174.6-68.5178.3-65171.64.3112D43 A44 K45 T49 L50 F51 L71 S72 V74 Y76 I79D43-R47 WeakPolarHBondContact O-CG 3.33Å; D43-R47 PolarHBondContact O-N 2.77Å; D43-R47 PolarHBondContact O-NE 3.06Å; D43-R47 WeakPolarHBondContact OD2-CD 3.48Å; D43-R47 IonicContact OD2-CZ 3.2Å; D43-R47 IonicContact OD2-NE 2.84Å; D43-R47 PolarHBondContact OD2-NE 3.15Å; D43-R47 IonicContact OD2-NH1 3.87Å; D43-R47 IonicContact OD2-NH2 3.6Å; A44-R47 PolarHBondContact O-N 2.93Å; K45-R47 PolarHBondContact O-N 3.02Å; R47-T49 VanDerWaalsContact C-N 3.33Å; R47-T49 PolarHBondContact O-N 3.41Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 3.12Å; R47-F51 HydrophobicContact CB-CE2 4.35Å; R47-F51 WeakPolarHBondContact O-CB 3.35Å; R47-F51 VanDerWaalsContact O-CD2 3.24Å; R47-F51 WeakPolarHBondContact O-CD2 3.29Å; R47-F51 WeakPolarHBondContact O-CG 3.48Å; R47-F51 PolarHBondContact O-N 3.48Å; R47-L71 PolarHBondContact NH1-O 3.48Å; R47-S72 PolarHBondContact NH1-O 3.46Å; R47-S72 PolarHBondContact NH2-O 3.07Å; R47-V74 WeakPolarHBondContact CD-O 3.43Å; R47-V74 PolarHBondContact NH1-O 3.05Å; R47-Y76 HydrophobicContact CG-CD2 4.49Å; R47-I79 HydrophobicContact CG-CD1 3.75Å
48A86.8Confident83.2Confident58 Ų5854.5 Ų54.548%0.47933%0.329SS..Hα-helixtrans-61.2-40.4175.800000112.2A44 K45 F51 A52A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.45Å; K45-A48 PolarHBondContact O-N 3.37Å; A48-F51 PolarHBondContact O-N 2.86Å; A48-A52 VanDerWaalsContact O-CB 3.22Å; A48-A52 WeakPolarHBondContact O-CB 3.34Å; A48-A52 PolarHBondContact O-N 2.8Å
49T86.2Confident82.7Confident23 Ų2352.2 Ų52.214%0.14132%0.317CS..Hα-helixtrans-66.2-47.8175.9-580000111.7L31 F34 I40 K45 K46 R47 F51 A52 V53L31-T49 HydrophobicContact CD1-CG2 4.08Å; F34-T49 HydrophobicContact CD1-CG2 3.87Å; F34-T49 HydrophobicContact CE1-CG2 3.62Å; I40-T49 HydrophobicContact CD1-CG2 4.2Å; I40-T49 WeakPolarHBondContact CD1-OG1 3.38Å; K45-T49 WeakPolarHBondContact O-CB 3.36Å; K45-T49 PolarHBondContact O-N 3.27Å; K45-T49 PolarHBondContact O-OG1 3.12Å; K46-T49 PolarHBondContact O-N 3.42Å; R47-T49 VanDerWaalsContact C-N 3.33Å; R47-T49 PolarHBondContact O-N 3.41Å; T49-F51 VanDerWaalsContact C-N 3.3Å; T49-F51 PolarHBondContact O-N 3.12Å; T49-A52 PolarHBondContact O-N 2.97Å; T49-V53 HydrophobicContact CG2-CG2 4.29Å; T49-V53 WeakPolarHBondContact O-CB 3.5Å; T49-V53 VanDerWaalsContact O-CG2 3.25Å; T49-V53 WeakPolarHBondContact O-CG2 3.2Å; T49-V53 PolarHBondContact O-N 2.71Å
50L86.2Confident82.5Confident1 Ų153.8 Ų53.81%0.00532%0.316CS..Hα-helixtrans-50.2-52.8172.4177.972.7000110.5W24 L31 K46 R47 V53 C54 Y76 I79W24-L50 HydrophobicContact CH2-CD1 4.27Å; L31-L50 HydrophobicContact CD2-CB 3.99Å; L31-L50 HydrophobicContact CD2-CD1 3.28Å; L31-L50 HydrophobicContact CD2-CG 4.24Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 PolarHBondContact O-N 2.94Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 3.12Å; L50-V53 PolarHBondContact O-N 2.79Å; L50-C54 WeakPolarHBondContact CD1-SG 3.3Å; L50-C54 WeakPolarHBondContact O-CB 3.4Å; L50-C54 PolarHBondContact O-N 2.71Å; L50-C54 PolarHBondContact O-SG 3.45Å; L50-Y76 HydrophobicContact CB-CD2 4.48Å; L50-Y76 HydrophobicContact CB-CE2 4.11Å; L50-Y76 HydrophobicContact CD1-CE2 4.49Å; L50-Y76 HydrophobicContact CD2-CD2 4.37Å; L50-Y76 HydrophobicContact CD2-CE2 4.29Å; L50-I79 HydrophobicContact CD2-CB 4.49Å; L50-I79 HydrophobicContact CD2-CG2 3.56Å
51F83.1Confident82.4Confident39 Ų3954.2 Ų54.217%0.17132%0.319CS..Hα-helixtrans-71.1-30.8-176.4-66.3-22.4000114.1R47 A48 T49 L59 P62 L71 I79R47-F51 HydrophobicContact CB-CE2 4.35Å; R47-F51 WeakPolarHBondContact O-CB 3.35Å; R47-F51 VanDerWaalsContact O-CD2 3.24Å; R47-F51 WeakPolarHBondContact O-CD2 3.29Å; R47-F51 WeakPolarHBondContact O-CG 3.48Å; R47-F51 PolarHBondContact O-N 3.48Å; A48-F51 PolarHBondContact O-N 2.86Å; T49-F51 VanDerWaalsContact C-N 3.3Å; T49-F51 PolarHBondContact O-N 3.12Å; F51-L59 HydrophobicContact CB-CD2 3.53Å; F51-L59 HydrophobicContact CD1-CD2 3.34Å; F51-L59 HydrophobicContact CD2-CD2 4.34Å; F51-L59 HydrophobicContact CE1-CD2 4.08Å; F51-L59 HydrophobicContact CG-CD2 3.47Å; F51-L59 VanDerWaalsContact CG-CD2 3.47Å; F51-P62 HydrophobicContact CE1-CG 4.17Å; F51-L71 HydrophobicContact CE1-CD1 4.48Å; F51-L71 HydrophobicContact CE2-CB 3.89Å; F51-L71 HydrophobicContact CE2-CD1 4Å; F51-L71 HydrophobicContact CE2-CG 4.46Å; F51-L71 HydrophobicContact CZ-CB 4.04Å; F51-L71 HydrophobicContact CZ-CD1 3.79Å; F51-L71 HydrophobicContact CZ-CD2 4.21Å; F51-L71 HydrophobicContact CZ-CG 4.24Å; F51-I79 HydrophobicContact CE1-CG2 4.18Å; F51-I79 HydrophobicContact CE2-CD1 4.46Å; F51-I79 HydrophobicContact CZ-CD1 3.9Å; F51-I79 HydrophobicContact CZ-CG2 4.26Å
52A81.3Confident82.2Confident71 Ų7148.8 Ų48.859%0.58729%0.285SS*.Hα-helixtrans-72.9-29.5173.700000113.2A48 T49A48-A52 VanDerWaalsContact O-CB 3.22Å; A48-A52 WeakPolarHBondContact O-CB 3.34Å; A48-A52 PolarHBondContact O-N 2.8Å; T49-A52 PolarHBondContact O-N 2.97Å
53V80.4Confident82Confident10 Ų1052.1 Ų52.16%0.06130%0.296CS..Hα-helixtrans-96.1-39.4-174.9178.30000112.4A13 P15 Y27 T49 L50 G55A13-V53 HydrophobicContact CB-CG1 3.51Å; P15-V53 WeakPolarHBondContact CA-O 3.49Å; Y27-V53 WeakPolarHBondContact OH-CG1 3.39Å; T49-V53 HydrophobicContact CG2-CG2 4.29Å; T49-V53 WeakPolarHBondContact O-CB 3.5Å; T49-V53 VanDerWaalsContact O-CG2 3.25Å; T49-V53 WeakPolarHBondContact O-CG2 3.2Å; T49-V53 PolarHBondContact O-N 2.71Å; L50-V53 PolarHBondContact O-N 2.79Å; V53-G55 PolarHBondContact O-N 3.22Å; V53-G55 VanDerWaalsContact O-N 3.12Å
54C73.9Confident82Confident3 Ų353.6 Ų53.62%0.0231%0.31CS..SBendtrans-64.6-17-174.3-76.80000115.7Y27 L50 T58Y27-C54 VanDerWaalsContact CE1-SG 3.5Å; Y27-C54 WeakPolarHBondContact OH-CA 3.43Å; Y27-C54 PolarHBondContact OH-N 3.17Å; Y27-C54 PolarHBondContact OH-SG 3.25Å; L50-C54 WeakPolarHBondContact CD1-SG 3.3Å; L50-C54 WeakPolarHBondContact O-CB 3.4Å; L50-C54 PolarHBondContact O-N 2.71Å; L50-C54 PolarHBondContact O-SG 3.45Å; C54-T58 HydrophobicContact CB-CG2 3.74Å; C54-T58 VanDerWaalsContact O-CB 3.29Å; C54-T58 WeakPolarHBondContact O-CB 3.24Å; C54-T58 PolarHBondContact O-OG1 2.86Å
55G75Confident81.9Confident22 Ų2255.2 Ų55.223%0.22731%0.312CS..Hα-helixtrans80161.1-177.600000115.1V53 T58 L59V53-G55 PolarHBondContact O-N 3.22Å; V53-G55 VanDerWaalsContact O-N 3.12Å; G55-T58 PolarHBondContact O-N 3.22Å; G55-L59 PolarHBondContact O-N 3.09Å; G55-L59 VanDerWaalsContact O-N 3.15Å
56L70.5Confident81.9Confident140 Ų14049.1 Ų49.173%0.73329%0.285SS*.Hα-helixtrans-59.1-38.5-175.7-68.4170.9000115.5L59 T60L56-L59 HydrophobicContact CD2-CD1 4.12Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-T60 PolarHBondContact O-N 3.14Å; L56-T60 PolarHBondContact O-OG1 2.9Å
57P73.3Confident81.7Confident83 Ų8350.1 Ų50.154%0.53930%0.3SS..Hα-helixtrans-61.3-48.6177.1-24.335.8000111.4V18 L59 T60V18-P57 HydrophobicContact CG2-CB 3.82Å; P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 PolarHBondContact O-N 2.7Å; P57-T60 WeakPolarHBondContact O-CB 3.4Å; P57-T60 PolarHBondContact O-N 3.37Å; P57-T60 VanDerWaalsContact O-N 3.11Å
58T71.1Confident81.5Confident4 Ų454.6 Ų54.63%0.02533%0.334CS..Hα-helixtrans-60.9-35178.2-45.10000112.2L16 V18 C54 G55 T60 I61 P62 F87L16-T58 HydrophobicContact CD2-CG2 3.64Å; V18-T58 HydrophobicContact CG1-CG2 4.47Å; V18-T58 WeakPolarHBondContact CG1-OG1 3.16Å; C54-T58 HydrophobicContact CB-CG2 3.74Å; C54-T58 VanDerWaalsContact O-CB 3.29Å; C54-T58 WeakPolarHBondContact O-CB 3.24Å; C54-T58 PolarHBondContact O-OG1 2.86Å; G55-T58 PolarHBondContact O-N 3.22Å; T58-T60 PolarHBondContact O-N 3.03Å; T58-I61 PolarHBondContact O-N 2.92Å; T58-P62 WeakPolarHBondContact O-CD 3.26Å; T58-F87 HydrophobicContact CG2-CZ 4.48Å
59L77.2Confident81.5Confident45 Ų4559.1 Ų59.124%0.23634%0.338CS..Hα-helixtrans-61.6-27.7176.4-83.6171.9000114.4F51 G55 L56 P57 I61 P62 K63F51-L59 HydrophobicContact CB-CD2 3.53Å; F51-L59 HydrophobicContact CD1-CD2 3.34Å; F51-L59 HydrophobicContact CD2-CD2 4.34Å; F51-L59 HydrophobicContact CE1-CD2 4.08Å; F51-L59 HydrophobicContact CG-CD2 3.47Å; F51-L59 VanDerWaalsContact CG-CD2 3.47Å; G55-L59 PolarHBondContact O-N 3.09Å; G55-L59 VanDerWaalsContact O-N 3.15Å; L56-L59 HydrophobicContact CD2-CD1 4.12Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.31Å; P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 PolarHBondContact O-N 2.7Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-P62 WeakPolarHBondContact O-CD 3.5Å; L59-K63 WeakPolarHBondContact O-CB 3.24Å
60T83.2Confident81.5Confident86 Ų8660.5 Ų60.553%0.52835%0.349SS..Hα-helixtrans-72.8-31.7-177.5-550000111.6L56 P57 T58 S64L56-T60 PolarHBondContact O-N 3.14Å; L56-T60 PolarHBondContact O-OG1 2.9Å; P57-T60 WeakPolarHBondContact O-CB 3.4Å; P57-T60 PolarHBondContact O-N 3.37Å; P57-T60 VanDerWaalsContact O-N 3.11Å; T58-T60 PolarHBondContact O-N 3.03Å; T60-S64 WeakPolarHBondContact O-CB 3.32Å; T60-S64 PolarHBondContact O-N 3.07Å; T60-S64 VanDerWaalsContact O-N 3.11Å; T60-S64 PolarHBondContact O-OG 3.38Å
61I84Confident81.2Confident34 Ų3462 Ų6217%0.17436%0.357CS..Hα-helixtrans-66.3-60.5-177.2-63.8168.7000112.3V18 T58 L59 K63 S64 L65 L83 F87V18-I61 HydrophobicContact CG1-CD1 3.93Å; T58-I61 PolarHBondContact O-N 2.92Å; L59-I61 VanDerWaalsContact C-N 3.35Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 3.1Å; I61-S64 WeakPolarHBondContact O-CB 3.11Å; I61-S64 PolarHBondContact O-N 3.31Å; I61-L65 HydrophobicContact CG2-CD1 3.67Å; I61-L65 HydrophobicContact CG2-CG 4.42Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 3.23Å; I61-L83 HydrophobicContact CB-CD2 4.46Å; I61-L83 HydrophobicContact CG2-CD2 3.91Å; I61-F87 HydrophobicContact CD1-CE1 3.69Å; I61-F87 HydrophobicContact CD1-CZ 3.61Å
62P83Confident81.3Confident1 Ų164.3 Ų64.31%0.00638%0.378CS..Hα-helixtrans-66.5-33.1-177.828.6-31.9000111F51 T58 L59 S64 L65 I66 L71 I79 L83F51-P62 HydrophobicContact CE1-CG 4.17Å; T58-P62 WeakPolarHBondContact O-CD 3.26Å; L59-P62 WeakPolarHBondContact O-CD 3.5Å; P62-S64 VanDerWaalsContact C-N 3.25Å; P62-S64 PolarHBondContact O-N 3.22Å; P62-L65 PolarHBondContact O-N 3.21Å; P62-I66 HydrophobicContact CB-CD1 4.27Å; P62-I66 VanDerWaalsContact O-CB 3.25Å; P62-I66 WeakPolarHBondContact O-CB 3.31Å; P62-I66 WeakPolarHBondContact O-CG1 3.33Å; P62-I66 PolarHBondContact O-N 3.42Å; P62-L71 HydrophobicContact CB-CD2 4.19Å; P62-I79 HydrophobicContact CB-CG2 4.36Å; P62-L83 HydrophobicContact CB-CD2 4Å; P62-L83 HydrophobicContact CB-CG 4.35Å; P62-L83 HydrophobicContact CG-CD2 4.16Å
63K85.3Confident81.5Confident148 Ų14866.6 Ų66.664%0.64338%0.38SS*.Hα-helixtrans-58.2-38.7172.8-170.9177.6179.8-1790112L59 I61 S67 L71L59-K63 WeakPolarHBondContact O-CB 3.24Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 3.1Å; K63-S67 PolarHBondContact O-N 3.25Å; K63-L71 HydrophobicContact CB-CD1 4.1Å
64S86.7Confident81.9Confident82 Ų8266.3 Ų66.357%0.57338%0.379SS*.Hα-helixtrans-74.7-39.4177.1-55.80000112.2T60 I61 P62T60-S64 WeakPolarHBondContact O-CB 3.32Å; T60-S64 PolarHBondContact O-N 3.07Å; T60-S64 VanDerWaalsContact O-N 3.11Å; T60-S64 PolarHBondContact O-OG 3.38Å; I61-S64 WeakPolarHBondContact O-CB 3.11Å; I61-S64 PolarHBondContact O-N 3.31Å; P62-S64 VanDerWaalsContact C-N 3.25Å; P62-S64 PolarHBondContact O-N 3.22Å
65L86.5Confident82.7Confident82 Ų8267.9 Ų67.943%0.42939%0.389SS..Hα-helixtrans-76.6-26.5-177.5-63.8170000114.3I61 P62 V82 H86I61-L65 HydrophobicContact CG2-CD1 3.67Å; I61-L65 HydrophobicContact CG2-CG 4.42Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 3.23Å; P62-L65 PolarHBondContact O-N 3.21Å; L65-V82 HydrophobicContact CB-CG1 3.68Å; L65-V82 HydrophobicContact CD1-CG1 3.64Å; L65-V82 HydrophobicContact CG-CG1 4.3Å; L65-H86 HydrophobicContact CD1-CB 3.79Å
66I87.9Confident83.3Confident3 Ų368.2 Ų68.22%0.01538%0.384CS..Hα-helixtrans-95.4-19-176.9-70.1167.9000112.3P62 R69 L71 V74 I79 V82P62-I66 HydrophobicContact CB-CD1 4.27Å; P62-I66 VanDerWaalsContact O-CB 3.25Å; P62-I66 WeakPolarHBondContact O-CB 3.31Å; P62-I66 WeakPolarHBondContact O-CG1 3.33Å; P62-I66 PolarHBondContact O-N 3.42Å; I66-R69 HydrophobicContact CG2-CB 3.9Å; I66-R69 WeakPolarHBondContact O-CB 3.26Å; I66-R69 PolarHBondContact O-N 2.88Å; I66-L71 HydrophobicContact CB-CD2 4.03Å; I66-L71 HydrophobicContact CD1-CD2 3.55Å; I66-L71 HydrophobicContact CG1-CD2 4.34Å; I66-L71 HydrophobicContact CG2-CD2 4.2Å; I66-V74 HydrophobicContact CD1-CG1 4.22Å; I66-V74 HydrophobicContact CG2-CB 4.44Å; I66-V74 HydrophobicContact CG2-CG2 3.64Å; I66-I79 HydrophobicContact CD1-CG1 3.74Å; I66-V82 HydrophobicContact CG1-CG1 4.47Å
67S85.8Confident84.2Confident81 Ų8168 Ų6857%0.56638%0.379SS*.THydrogen-bonded Turntrans-48.1134.5173.3-173.30000111.7K63K63-S67 PolarHBondContact O-N 3.25Å
68P84.6Confident85Confident131 Ų13167.7 Ų67.785%0.85137%0.373SS*.THydrogen-bonded Turncis-88.34.510.635.6-37.5000115.6
69R85.8Confident85.8Confident153 Ų15367.5 Ų67.558%0.57737%0.372SS*.SBendtrans-71.8154.2178-62.6-178.6-70.5169.7-2.8111.1I66 V74I66-R69 HydrophobicContact CG2-CB 3.9Å; I66-R69 WeakPolarHBondContact O-CB 3.26Å; I66-R69 PolarHBondContact O-N 2.88Å; R69-V74 HydrophobicContact CB-CG2 4.4Å
70S85.8Confident86.3Confident52 Ų5266.4 Ų66.436%0.36437%0.367SS..  trans-76.8147.6170.8-167.40000110.8S72 D73S70-S72 PolarHBondContact O-N 3.22Å; S70-S72 PolarHBondContact OG-N 3.48Å; S70-D73 WeakPolarHBondContact CB-OD2 3.1Å; S70-D73 PolarHBondContact N-OD2 3.38Å; S70-D73 VanDerWaalsContact N-OD2 3.09Å; S70-D73 PolarHBondContact O-N 3.43Å
71L81.6Confident86.5Confident32 Ų3265.9 Ų65.917%0.16836%0.361CS..THydrogen-bonded Turntrans-62.2-20.3168.3-62.3176.1000112R47 F51 P62 K63 I66 D73R47-L71 PolarHBondContact NH1-O 3.48Å; F51-L71 HydrophobicContact CE1-CD1 4.48Å; F51-L71 HydrophobicContact CE2-CB 3.89Å; F51-L71 HydrophobicContact CE2-CD1 4Å; F51-L71 HydrophobicContact CE2-CG 4.46Å; F51-L71 HydrophobicContact CZ-CB 4.04Å; F51-L71 HydrophobicContact CZ-CD1 3.79Å; F51-L71 HydrophobicContact CZ-CD2 4.21Å; F51-L71 HydrophobicContact CZ-CG 4.24Å; P62-L71 HydrophobicContact CB-CD2 4.19Å; K63-L71 HydrophobicContact CB-CD1 4.1Å; I66-L71 HydrophobicContact CB-CD2 4.03Å; I66-L71 HydrophobicContact CD1-CD2 3.55Å; I66-L71 HydrophobicContact CG1-CD2 4.34Å; I66-L71 HydrophobicContact CG2-CD2 4.2Å; L71-D73 VanDerWaalsContact C-N 3.3Å
72S83.8Confident86.7Confident88 Ų8866.3 Ų66.362%0.61537%0.365SS*.THydrogen-bonded Turntrans-73.2-17.7173-52.50000113.9R47 S70R47-S72 PolarHBondContact NH1-O 3.46Å; R47-S72 PolarHBondContact NH2-O 3.07Å; S70-S72 PolarHBondContact O-N 3.22Å; S70-S72 PolarHBondContact OG-N 3.48Å
73D86.4Confident86.9Confident119 Ų11966.3 Ų66.364%0.63637%0.365SS*.SBendtrans-100.4-8.1-173.9-47.2-30.3000112.6S70 L71S70-D73 WeakPolarHBondContact CB-OD2 3.1Å; S70-D73 PolarHBondContact N-OD2 3.38Å; S70-D73 VanDerWaalsContact N-OD2 3.09Å; S70-D73 PolarHBondContact O-N 3.43Å; L71-D73 VanDerWaalsContact C-N 3.3Å
74V88.2Confident86.8Confident4 Ų463.1 Ų63.12%0.02435%0.351CS..SBendtrans-113.3135.9-174.4178.70000109.6R47 I66 R69 D78 I79R47-V74 WeakPolarHBondContact CD-O 3.43Å; R47-V74 PolarHBondContact NH1-O 3.05Å; I66-V74 HydrophobicContact CD1-CG1 4.22Å; I66-V74 HydrophobicContact CG2-CB 4.44Å; I66-V74 HydrophobicContact CG2-CG2 3.64Å; R69-V74 HydrophobicContact CB-CG2 4.4Å; V74-D78 HydrophobicContact CG1-CB 3.37Å; V74-I79 HydrophobicContact CB-CG1 4.44Å; V74-I79 HydrophobicContact CG1-CG1 4.01Å
75S90.8Very high86.7Confident35 Ų3563.1 Ų63.125%0.24535%0.351CS..  trans-64.7159.4-175.473.80000112.8E77 D78 I79S75-E77 PolarHBondContact O-N 2.83Å; S75-D78 WeakPolarHBondContact CB-OD2 3.46Å; S75-D78 PolarHBondContact O-N 3.13Å; S75-D78 WeakPolarHBondContact OG-CB 3.34Å; S75-D78 PolarHBondContact OG-N 3.04Å; S75-D78 PolarHBondContact OG-OD2 3.37Å; S75-I79 WeakPolarHBondContact O-CD1 3.29Å; S75-I79 WeakPolarHBondContact O-CG1 3.28Å; S75-I79 PolarHBondContact O-N 3.5Å
76Y88.6Confident86.6Confident29 Ų2963.5 Ų63.511%0.11435%0.351CS..Hα-helixtrans-55.1-42.3171.3172-100.4000111.6L31 D43 K46 R47 L50 I79 V80L31-Y76 HydrophobicContact CD2-CE2 4.22Å; D43-Y76 WeakPolarHBondContact OD1-CB 3.35Å; D43-Y76 PolarHBondContact OD1-N 2.78Å; D43-Y76 PolarHBondContact OD2-N 2.85Å; K46-Y76 HydrophobicContact CB-CD1 4.3Å; K46-Y76 HydrophobicContact CB-CD2 3.63Å; K46-Y76 HydrophobicContact CB-CE2 4.15Å; K46-Y76 HydrophobicContact CB-CG 3.7Å; K46-Y76 HydrophobicContact CD-CD1 4.07Å; K46-Y76 HydrophobicContact CD-CG 4.22Å; R47-Y76 HydrophobicContact CG-CD2 4.49Å; L50-Y76 HydrophobicContact CB-CD2 4.48Å; L50-Y76 HydrophobicContact CB-CE2 4.11Å; L50-Y76 HydrophobicContact CD1-CE2 4.49Å; L50-Y76 HydrophobicContact CD2-CD2 4.37Å; L50-Y76 HydrophobicContact CD2-CE2 4.29Å; Y76-I79 PolarHBondContact O-N 2.89Å; Y76-V80 HydrophobicContact CD1-CG2 4.33Å; Y76-V80 HydrophobicContact CD2-CG2 4.37Å; Y76-V80 HydrophobicContact CE1-CG2 3.88Å; Y76-V80 HydrophobicContact CE2-CG2 3.93Å; Y76-V80 WeakPolarHBondContact O-CG2 3.4Å; Y76-V80 PolarHBondContact O-N 3.27Å
77E88.7Confident86.3Confident135 Ų13564.4 Ų64.463%0.63136%0.355SS*.Hα-helixtrans-64.8-45.4-179.4-174.3170.5176.700111.7S75 I79 V80 N81S75-E77 PolarHBondContact O-N 2.83Å; E77-I79 PolarHBondContact O-N 2.89Å; E77-V80 PolarHBondContact O-N 2.91Å; E77-N81 WeakPolarHBondContact O-CB 3.19Å; E77-N81 VanDerWaalsContact O-CG 3.23Å; E77-N81 PolarHBondContact O-N 3.4Å; E77-N81 PolarHBondContact O-ND2 3.23Å
78D89.1Confident85.8Confident78 Ų7862.9 Ų62.942%0.41734%0.339SS..Hα-helixtrans-60.7-41.9174.3-69-50.6000112.2V74 S75 N81 V82V74-D78 HydrophobicContact CG1-CB 3.37Å; S75-D78 WeakPolarHBondContact CB-OD2 3.46Å; S75-D78 PolarHBondContact O-N 3.13Å; S75-D78 WeakPolarHBondContact OG-CB 3.34Å; S75-D78 PolarHBondContact OG-N 3.04Å; S75-D78 PolarHBondContact OG-OD2 3.37Å; D78-N81 PolarHBondContact O-N 3.29Å; D78-V82 WeakPolarHBondContact O-CB 3.3Å; D78-V82 VanDerWaalsContact O-CG2 3.29Å; D78-V82 WeakPolarHBondContact O-CG2 3.47Å; D78-V82 PolarHBondContact O-N 3.38Å
79I88Confident85.4Confident0 Ų061 Ų610%033%0.327CS..Hα-helixtrans-63.1-43.9176.4-68157.4000110.4R47 L50 F51 P62 I66 V74 S75 Y76 E77 N81 V82 L83R47-I79 HydrophobicContact CG-CD1 3.75Å; L50-I79 HydrophobicContact CD2-CB 4.49Å; L50-I79 HydrophobicContact CD2-CG2 3.56Å; F51-I79 HydrophobicContact CE1-CG2 4.18Å; F51-I79 HydrophobicContact CE2-CD1 4.46Å; F51-I79 HydrophobicContact CZ-CD1 3.9Å; F51-I79 HydrophobicContact CZ-CG2 4.26Å; P62-I79 HydrophobicContact CB-CG2 4.36Å; I66-I79 HydrophobicContact CD1-CG1 3.74Å; V74-I79 HydrophobicContact CB-CG1 4.44Å; V74-I79 HydrophobicContact CG1-CG1 4.01Å; S75-I79 WeakPolarHBondContact O-CD1 3.29Å; S75-I79 WeakPolarHBondContact O-CG1 3.28Å; S75-I79 PolarHBondContact O-N 3.5Å; Y76-I79 PolarHBondContact O-N 2.89Å; E77-I79 PolarHBondContact O-N 2.89Å; I79-N81 VanDerWaalsContact C-N 3.33Å; I79-N81 PolarHBondContact O-N 2.82Å; I79-V82 PolarHBondContact O-N 3.16Å; I79-L83 HydrophobicContact CG2-CD1 3.94Å; I79-L83 HydrophobicContact CG2-CG 4.47Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 3.45Å
80V88.5Confident84.9Confident22 Ų2259.6 Ų59.613%0.13333%0.325CS..Hα-helixtrans-63-40176.2167.70000111.3W24 A28 Y76 E77 L83 K84W24-V80 HydrophobicContact CZ2-CB 4.42Å; W24-V80 HydrophobicContact CZ2-CG1 4.14Å; W24-V80 HydrophobicContact CZ2-CG2 4.39Å; A28-V80 HydrophobicContact CB-CG1 4.39Å; Y76-V80 HydrophobicContact CD1-CG2 4.33Å; Y76-V80 HydrophobicContact CD2-CG2 4.37Å; Y76-V80 HydrophobicContact CE1-CG2 3.88Å; Y76-V80 HydrophobicContact CE2-CG2 3.93Å; Y76-V80 WeakPolarHBondContact O-CG2 3.4Å; Y76-V80 PolarHBondContact O-N 3.27Å; E77-V80 PolarHBondContact O-N 2.91Å; V80-L83 PolarHBondContact O-N 3.18Å; V80-K84 WeakPolarHBondContact O-CB 3.2Å; V80-K84 PolarHBondContact O-N 3.12Å
81N87.2Confident84.5Confident75 Ų7559.5 Ų59.540%0.40132%0.324SS..Hα-helixtrans-68.8-39.3177.8-72.9-29.6000112.8E77 D78 I79 S85E77-N81 WeakPolarHBondContact O-CB 3.19Å; E77-N81 VanDerWaalsContact O-CG 3.23Å; E77-N81 PolarHBondContact O-N 3.4Å; E77-N81 PolarHBondContact O-ND2 3.23Å; D78-N81 PolarHBondContact O-N 3.29Å; I79-N81 VanDerWaalsContact C-N 3.33Å; I79-N81 PolarHBondContact O-N 2.82Å; N81-S85 WeakPolarHBondContact O-CB 3.42Å; N81-S85 PolarHBondContact O-N 3.25Å; N81-S85 PolarHBondContact O-OG 2.82Å
82V87.5Confident84.7Confident42 Ų4261.4 Ų61.426%0.25534%0.34SS..Hα-helixtrans-63.7-44.81731670000110.7L65 I66 D78 I79 S85 H86L65-V82 HydrophobicContact CB-CG1 3.68Å; L65-V82 HydrophobicContact CD1-CG1 3.64Å; L65-V82 HydrophobicContact CG-CG1 4.3Å; I66-V82 HydrophobicContact CG1-CG1 4.47Å; D78-V82 WeakPolarHBondContact O-CB 3.3Å; D78-V82 VanDerWaalsContact O-CG2 3.29Å; D78-V82 WeakPolarHBondContact O-CG2 3.47Å; D78-V82 PolarHBondContact O-N 3.38Å; I79-V82 PolarHBondContact O-N 3.16Å; V82-S85 PolarHBondContact O-N 3.33Å; V82-H86 WeakPolarHBondContact O-CB 3.31Å; V82-H86 PolarHBondContact O-N 2.87Å
83L87.3Confident85Confident2 Ų259.5 Ų59.51%0.0132%0.324CS..Hα-helixtrans-67.1-41.3177.2-70.1174.1000112.2W24 I61 P62 I79 V80 S85 H86 F87W24-L83 HydrophobicContact CD2-CB 4.42Å; W24-L83 HydrophobicContact CH2-CB 3.7Å; W24-L83 HydrophobicContact CH2-CD1 3.42Å; W24-L83 VanDerWaalsContact CH2-CD1 3.42Å; W24-L83 HydrophobicContact CH2-CG 4.19Å; W24-L83 HydrophobicContact CZ2-CB 3.45Å; W24-L83 VanDerWaalsContact CZ2-CB 3.45Å; W24-L83 HydrophobicContact CZ2-CD1 4Å; W24-L83 HydrophobicContact CZ2-CG 4.37Å; W24-L83 HydrophobicContact CZ3-CB 4.26Å; W24-L83 HydrophobicContact CZ3-CD1 4.02Å; I61-L83 HydrophobicContact CB-CD2 4.46Å; I61-L83 HydrophobicContact CG2-CD2 3.91Å; P62-L83 HydrophobicContact CB-CD2 4Å; P62-L83 HydrophobicContact CB-CG 4.35Å; P62-L83 HydrophobicContact CG-CD2 4.16Å; I79-L83 HydrophobicContact CG2-CD1 3.94Å; I79-L83 HydrophobicContact CG2-CG 4.47Å; I79-L83 WeakPolarHBondContact O-CB 3.44Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 3.45Å; V80-L83 PolarHBondContact O-N 3.18Å; L83-S85 PolarHBondContact O-N 3.02Å; L83-H86 PolarHBondContact O-N 2.82Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 3.9Å; L83-F87 WeakPolarHBondContact O-CD2 3.28Å; L83-F87 PolarHBondContact O-N 3Å
84K85Confident85Confident80 Ų8060.4 Ų60.435%0.34833%0.328SS..Hα-helixtrans-58.4-47.8173-172.6179.2172.392.90110.8D25 V80 H86 F87 I88D25-K84 IonicContact OD1-NZ 3.35Å; D25-K84 PolarHBondContact OD1-NZ 2.96Å; D25-K84 IonicContact OD2-NZ 2.74Å; D25-K84 PolarHBondContact OD2-NZ 2.87Å; V80-K84 WeakPolarHBondContact O-CB 3.2Å; V80-K84 PolarHBondContact O-N 3.12Å; K84-H86 PolarHBondContact O-N 3.01Å; K84-F87 PolarHBondContact O-N 2.76Å; K84-I88 CarbonylContact O-C 3.54Å; K84-I88 VanDerWaalsContact O-C 3.27Å; K84-I88 WeakPolarHBondContact O-CA 3.24Å; K84-I88 PolarHBondContact O-N 3.47Å; K84-I88 VanDerWaalsContact O-O 3.05Å
85S83.4Confident84.8Confident83 Ų8366.6 Ų66.658%0.5835%0.351SS*.Hα-helixtrans-63.4-29.5179.1-56.20000113.3N81 V82 L83N81-S85 WeakPolarHBondContact O-CB 3.42Å; N81-S85 PolarHBondContact O-N 3.25Å; N81-S85 PolarHBondContact O-OG 2.82Å; V82-S85 PolarHBondContact O-N 3.33Å; L83-S85 PolarHBondContact O-N 3.02Å
86H84Confident84.7Confident90 Ų9065.5 Ų65.542%0.41734%0.342SS..Hα-helixtrans-80.9-46.6177.9177.9-88.6000113L65 V82 L83 K84L65-H86 HydrophobicContact CD1-CB 3.79Å; V82-H86 WeakPolarHBondContact O-CB 3.31Å; V82-H86 PolarHBondContact O-N 2.87Å; L83-H86 PolarHBondContact O-N 2.82Å; K84-H86 PolarHBondContact O-N 3.01Å
87F82.1Confident84.8Confident22 Ų2268.7 Ų68.710%0.09635%0.354CS..Hα-helixtrans-81.6-36.2-177.8-67.4-54.7000113.3L16 V18 P21 W24 T58 I61 L83 K84 P89L16-F87 HydrophobicContact CD2-CE2 3.89Å; L16-F87 HydrophobicContact CD2-CZ 4.02Å; V18-F87 HydrophobicContact CG1-CE1 4.11Å; V18-F87 HydrophobicContact CG1-CZ 3.97Å; P21-F87 HydrophobicContact CB-CB 3.89Å; P21-F87 HydrophobicContact CB-CD1 3.97Å; P21-F87 HydrophobicContact CB-CG 4.32Å; W24-F87 HydrophobicContact CB-CB 4.1Å; W24-F87 HydrophobicContact CB-CD2 4.26Å; W24-F87 AromaticContact CD2-CD2 3.82Å; W24-F87 HydrophobicContact CD2-CD2 3.82Å; W24-F87 HydrophobicContact CD2-CE2 4.35Å; W24-F87 AromaticContact CE3-CD2 3.78Å; W24-F87 HydrophobicContact CE3-CD2 3.78Å; W24-F87 AromaticContact CE3-CE2 3.86Å; W24-F87 HydrophobicContact CE3-CE2 3.86Å; W24-F87 HydrophobicContact CG-CB 4.37Å; W24-F87 HydrophobicContact CG-CD2 4.01Å; W24-F87 HydrophobicContact CZ3-CE2 4.26Å; T58-F87 HydrophobicContact CG2-CZ 4.48Å; I61-F87 HydrophobicContact CD1-CE1 3.69Å; I61-F87 HydrophobicContact CD1-CZ 3.61Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 3.9Å; L83-F87 WeakPolarHBondContact O-CD2 3.28Å; L83-F87 PolarHBondContact O-N 3Å; K84-F87 PolarHBondContact O-N 2.76Å; F87-P89 WeakPolarHBondContact O-CD 3.46Å
88I76.1Confident84.8Confident48 Ų4867.3 Ų67.325%0.24635%0.346CS..SBendtrans-125.377.1-179.8-50.2176.9000108W24 D25 K84 K90W24-I88 HydrophobicContact CB-CD1 4.03Å; W24-I88 HydrophobicContact CB-CG1 4.36Å; D25-I88 HydrophobicContact CB-CD1 4.36Å; K84-I88 CarbonylContact O-C 3.54Å; K84-I88 VanDerWaalsContact O-C 3.27Å; K84-I88 WeakPolarHBondContact O-CA 3.24Å; K84-I88 PolarHBondContact O-N 3.47Å; K84-I88 VanDerWaalsContact O-O 3.05Å; I88-K90 PolarHBondContact O-N 3.24Å
89P76.5Confident84.8Confident91 Ų9165.9 Ų65.959%0.59134%0.34SS*.  trans-58.7114.6173.1-19.932000108.8F87 P91F87-P89 WeakPolarHBondContact O-CD 3.46Å; P89-P91 WeakPolarHBondContact O-CD 3.32Å
90K74.3Confident85.1Confident125 Ų12566 Ų6654%0.54334%0.341SS..  trans-55.7116-175.5-180161.8175.4134.10109.5I88 D124I88-K90 PolarHBondContact O-N 3.24Å; K90-D124 WeakPolarHBondContact CE-OD1 3.23Å; K90-D124 IonicContact NZ-OD1 2.64Å; K90-D124 PolarHBondContact NZ-OD1 3.01Å
91P78.8Confident85.3Confident50 Ų5069.6 Ų69.633%0.32536%0.356SS..  trans-61.4163.5178.5-22.232.8000111.4P89 Y95 Q96P89-P91 WeakPolarHBondContact O-CD 3.32Å; P91-Y95 HydrophobicContact CB-CD1 3.63Å; P91-Y95 HydrophobicContact CB-CE1 4.38Å; P91-Y95 HydrophobicContact CB-CG 4.39Å; P91-Y95 HydrophobicContact CG-CD1 4.31Å; P91-Q96 HydrophobicContact CB-CG 4.18Å; P91-Q96 PolarHBondContact O-OE1 2.86Å
92S85.2Confident85.5Confident72 Ų7274.1 Ų74.150%0.50337%0.368SS..  trans-64.2145.6174.372.80000110.6I94 Y95 Q96S92-I94 PolarHBondContact O-N 2.83Å; S92-I94 VanDerWaalsContact O-N 3.08Å; S92-Y95 WeakPolarHBondContact O-CA 3.33Å; S92-Y95 WeakPolarHBondContact O-CB 3.48Å; S92-Y95 PolarHBondContact O-N 3.17Å; S92-Y95 WeakPolarHBondContact OG-CB 3.27Å; S92-Y95 PolarHBondContact OG-N 3.07Å; S92-Y95 VanDerWaalsContact OG-N 3.15Å; S92-Q96 PolarHBondContact O-N 2.9Å; S92-Q96 PolarHBondContact O-OE1 2.95Å
93V89.6Confident85.7Confident48 Ų4872.9 Ų72.929%0.29136%0.361SS..Hα-helixtrans-55.1-30.4175178.30000111.5R97 N126V93-R97 HydrophobicContact CG1-CG 4.4Å; V93-R97 WeakPolarHBondContact O-CB 3.32Å; V93-R97 WeakPolarHBondContact O-CG 3.2Å; V93-R97 PolarHBondContact O-N 2.92Å; V93-N126 HydrophobicContact CG1-CB 4.4Å
94I87Confident86Confident138 Ų13877 Ų7771%0.70838%0.383SS*.Hα-helixtrans-66.1-45.7174.2-60175.1000110.8S92 R97 F98S92-I94 PolarHBondContact O-N 2.83Å; S92-I94 VanDerWaalsContact O-N 3.08Å; I94-R97 PolarHBondContact O-N 2.83Å; I94-F98 VanDerWaalsContact O-CB 3.31Å; I94-F98 WeakPolarHBondContact O-CB 3.33Å; I94-F98 PolarHBondContact O-N 2.96Å
95Y83.2Confident86.3Confident133 Ų13374.6 Ų74.652%0.52237%0.372SS..Hα-helixtrans-65.8-43.3177.1-179.3-96.1000111.9P91 S92 R97 F98 T99P91-Y95 HydrophobicContact CB-CD1 3.63Å; P91-Y95 HydrophobicContact CB-CE1 4.38Å; P91-Y95 HydrophobicContact CB-CG 4.39Å; P91-Y95 HydrophobicContact CG-CD1 4.31Å; S92-Y95 WeakPolarHBondContact O-CA 3.33Å; S92-Y95 WeakPolarHBondContact O-CB 3.48Å; S92-Y95 PolarHBondContact O-N 3.17Å; S92-Y95 WeakPolarHBondContact OG-CB 3.27Å; S92-Y95 PolarHBondContact OG-N 3.07Å; S92-Y95 VanDerWaalsContact OG-N 3.15Å; Y95-R97 PolarHBondContact O-N 2.82Å; Y95-F98 WeakPolarHBondContact O-CB 3.3Å; Y95-F98 PolarHBondContact O-N 2.89Å; Y95-T99 PolarHBondContact O-N 3.28Å; Y95-T99 PolarHBondContact O-OG1 3.24Å; Y95-T99 VanDerWaalsContact O-OG1 3.13Å
96Q88.8Confident86.6Confident13 Ų1376.5 Ų76.56%0.06137%0.372CS..Hα-helixtrans-58.5-48175.3-75.8151.8-26.400111.1P91 S92 F98 T99 F100 D124 C125P91-Q96 HydrophobicContact CB-CG 4.18Å; P91-Q96 PolarHBondContact O-OE1 2.86Å; S92-Q96 PolarHBondContact O-N 2.9Å; S92-Q96 PolarHBondContact O-OE1 2.95Å; Q96-F98 VanDerWaalsContact C-N 3.32Å; Q96-F98 PolarHBondContact O-N 2.98Å; Q96-T99 PolarHBondContact O-N 2.87Å; Q96-F100 WeakPolarHBondContact O-CB 3.39Å; Q96-F100 PolarHBondContact O-N 2.95Å; Q96-D124 HydrophobicContact CG-CB 4Å; Q96-D124 VanDerWaalsContact NE2-CB 3.32Å; Q96-D124 PolarHBondContact NE2-OD2 3.07Å; Q96-D124 PolarHBondContact OE1-O 2.85Å; Q96-C125 PolarHBondContact O-SG 2.93Å
97R91.5Very high86.7Confident95 Ų9580 Ų8036%0.35839%0.389SS..Hα-helixtrans-63.3-35.2175.5-71.8173.8178.1-168.2-0.5113.1V93 I94 Y95 Q101 C125 N126 F127V93-R97 HydrophobicContact CG1-CG 4.4Å; V93-R97 WeakPolarHBondContact O-CB 3.32Å; V93-R97 WeakPolarHBondContact O-CG 3.2Å; V93-R97 PolarHBondContact O-N 2.92Å; I94-R97 PolarHBondContact O-N 2.83Å; Y95-R97 PolarHBondContact O-N 2.82Å; R97-Q101 WeakPolarHBondContact O-CB 3.46Å; R97-Q101 WeakPolarHBondContact O-CG 3.3Å; R97-Q101 PolarHBondContact O-N 3.15Å; R97-C125 HydrophobicContact CG-CB 3.95Å; R97-C125 PolarHBondContact NE-O 2.74Å; R97-C125 PolarHBondContact NH2-O 3.26Å; R97-N126 PolarHBondContact NH2-O 3.39Å; R97-F127 HydrophobicContact CG-CE1 3.87Å; R97-F127 HydrophobicContact CG-CZ 4.17Å
98F88.5Confident86.9Confident107 Ų10783 Ų8347%0.46943%0.425SS..Hα-helixtrans-66.6-42.5174.5171.5-94.9000112I94 Y95 Q96 Q101 R102I94-F98 VanDerWaalsContact O-CB 3.31Å; I94-F98 WeakPolarHBondContact O-CB 3.33Å; I94-F98 PolarHBondContact O-N 2.96Å; Y95-F98 WeakPolarHBondContact O-CB 3.3Å; Y95-F98 PolarHBondContact O-N 2.89Å; Q96-F98 VanDerWaalsContact C-N 3.32Å; Q96-F98 PolarHBondContact O-N 2.98Å; F98-Q101 PolarHBondContact O-N 2.56Å; F98-R102 VanDerWaalsContact O-CG 3.32Å; F98-R102 WeakPolarHBondContact O-CG 3.17Å; F98-R102 PolarHBondContact O-N 2.74Å
99T88.5Confident87.6Confident47 Ų4782.3 Ų82.329%0.28842%0.421SS..Hα-helixtrans-65.4-45175.3-57.20000111Y95 Q96 Q101 R102 C103 L121Y95-T99 PolarHBondContact O-N 3.28Å; Y95-T99 PolarHBondContact O-OG1 3.24Å; Y95-T99 VanDerWaalsContact O-OG1 3.13Å; Q96-T99 PolarHBondContact O-N 2.87Å; T99-Q101 PolarHBondContact O-N 2.67Å; T99-R102 PolarHBondContact O-N 2.83Å; T99-C103 PolarHBondContact O-N 2.7Å; T99-L121 HydrophobicContact CG2-CD1 4.49Å; T99-L121 HydrophobicContact CG2-CD2 3.87Å
100F94.3Very high88.4Confident2 Ų279.2 Ų79.21%0.00941%0.405CS..Hα-helixtrans-54.8-47.8173175.4-91.8000112.2Q96 R102 C103 L118 L121 A122 F127 R134 L135 Q138Q96-F100 WeakPolarHBondContact O-CB 3.39Å; Q96-F100 PolarHBondContact O-N 2.95Å; F100-R102 PolarHBondContact O-N 2.95Å; F100-R102 VanDerWaalsContact O-N 3.12Å; F100-C103 WeakPolarHBondContact O-CB 3.32Å; F100-C103 PolarHBondContact O-N 3.12Å; F100-C103 VanDerWaalsContact O-N 3.13Å; F100-L118 HydrophobicContact CE2-CD2 4.17Å; F100-L118 WeakPolarHBondContact CE2-O 3.23Å; F100-L121 HydrophobicContact CB-CB 4.35Å; F100-L121 HydrophobicContact CD2-CB 4.06Å; F100-A122 HydrophobicContact CD2-CB 4.07Å; F100-A122 HydrophobicContact CE2-CB 3.84Å; F100-F127 AromaticContact CD1-CE2 3.91Å; F100-F127 HydrophobicContact CD1-CE2 3.91Å; F100-F127 AromaticContact CD1-CZ 3.57Å; F100-F127 HydrophobicContact CD1-CZ 3.57Å; F100-F127 HydrophobicContact CD2-CE2 4.07Å; F100-F127 HydrophobicContact CD2-CZ 4.48Å; F100-F127 AromaticContact CE1-CE2 3.86Å; F100-F127 HydrophobicContact CE1-CE2 3.86Å; F100-F127 AromaticContact CE1-CZ 3.76Å; F100-F127 HydrophobicContact CE1-CZ 3.76Å; F100-F127 HydrophobicContact CE2-CE2 4.04Å; F100-F127 HydrophobicContact CG-CE2 4.01Å; F100-F127 AromaticContact CG-CZ 3.96Å; F100-F127 HydrophobicContact CG-CZ 3.96Å; F100-F127 AromaticContact CZ-CE2 3.93Å; F100-F127 HydrophobicContact CZ-CE2 3.93Å; F100-F127 HydrophobicContact CZ-CZ 4.31Å; F100-R134 HydrophobicContact CE1-CB 4.31Å; F100-R134 HydrophobicContact CZ-CB 4.42Å; F100-R134 WeakPolarHBondContact CZ-O 3.32Å; F100-L135 HydrophobicContact CE2-CD2 3.94Å; F100-L135 HydrophobicContact CZ-CD2 4.29Å; F100-Q138 HydrophobicContact CD1-CB 4.48Å; F100-Q138 HydrophobicContact CD1-CG 4.36Å; F100-Q138 HydrophobicContact CE1-CB 3.58Å; F100-Q138 HydrophobicContact CE1-CG 3.91Å; F100-Q138 HydrophobicContact CE2-CB 4.48Å; F100-Q138 HydrophobicContact CZ-CB 3.58Å; F100-Q138 HydrophobicContact CZ-CG 4.02Å; F100-Q138 PolarHBondContact O-NE2 2.8Å
101Q92.7Very high89.3Confident98 Ų9873.4 Ų73.446%0.45838%0.381SS..Hα-helixtrans-64.4-14.5178.3-77.8175.3-24.200114.7R97 F98 T99 Q138R97-Q101 WeakPolarHBondContact O-CB 3.46Å; R97-Q101 WeakPolarHBondContact O-CG 3.3Å; R97-Q101 PolarHBondContact O-N 3.15Å; F98-Q101 PolarHBondContact O-N 2.56Å; T99-Q101 PolarHBondContact O-N 2.67Å; Q101-Q138 PolarHBondContact O-NE2 3.21Å; Q101-Q138 VanDerWaalsContact O-NE2 3.08Å
102R90.4Very high90Very high170 Ų17074.3 Ų74.364%0.64239%0.392SS*.THydrogen-bonded Turntrans-106.54.6179.2-67-179.565.476.67.3113F98 T99 F100 L104F98-R102 VanDerWaalsContact O-CG 3.32Å; F98-R102 WeakPolarHBondContact O-CG 3.17Å; F98-R102 PolarHBondContact O-N 2.74Å; T99-R102 PolarHBondContact O-N 2.83Å; F100-R102 PolarHBondContact O-N 2.95Å; F100-R102 VanDerWaalsContact O-N 3.12Å; R102-L104 PolarHBondContact O-N 3.01Å
103C91.6Very high90.4Very high16 Ų1673.1 Ų73.111%0.10839%0.386CS..  trans-77.4115.5174.3-171.50000109.6T99 F100 Y114 L118 L121 Q138T99-C103 PolarHBondContact O-N 2.7Å; F100-C103 WeakPolarHBondContact O-CB 3.32Å; F100-C103 PolarHBondContact O-N 3.12Å; F100-C103 VanDerWaalsContact O-N 3.13Å; C103-Y114 PolarHBondContact O-OH 3.32Å; C103-L118 HydrophobicContact CB-CD2 3.72Å; C103-L121 HydrophobicContact CB-CD1 3.6Å; C103-Q138 PolarHBondContact O-NE2 2.89Å
104L93.8Very high90.7Very high90 Ų9070.9 Ų70.947%0.47137%0.373SS..  trans-125.7147.1-179.9-57175.4000108.8R102 Q106R102-L104 PolarHBondContact O-N 3.01Å; L104-Q106 PolarHBondContact O-N 3.01Å; L104-Q106 PolarHBondContact O-NE2 3.22Å
105Q92.9Very high91.1Very high29 Ų2965.1 Ų65.114%0.13634%0.344CS..PPolyproline II helixtrans-60.8125.9178.1-174.2179.413.300111E109 Y114 G142 K144Q105-E109 HydrophobicContact CG-CB 4.43Å; Q105-E109 PolarHBondContact NE2-O 2.7Å; Q105-Y114 HydrophobicContact CB-CD1 3.85Å; Q105-Y114 HydrophobicContact CB-CD2 4.13Å; Q105-Y114 HydrophobicContact CB-CE1 4.16Å; Q105-Y114 HydrophobicContact CB-CE2 4.44Å; Q105-Y114 HydrophobicContact CB-CG 3.85Å; Q105-Y114 HydrophobicContact CG-CD1 4.34Å; Q105-Y114 HydrophobicContact CG-CG 4.19Å; Q105-Y114 VanDerWaalsContact N-CE2 3.35Å; Q105-G142 WeakPolarHBondContact CB-O 3.48Å; Q105-G142 PolarHBondContact N-O 2.83Å; Q105-K144 HydrophobicContact CB-CB 4.37Å; Q105-K144 HydrophobicContact CG-CB 4.42Å
106Q88.8Confident91.6Very high122 Ų12261.2 Ų61.257%0.5734%0.339SS*.PPolyproline II helixtrans-77.4164.4-177.6-58.9-58-57.500112.6L104 G108 E109L104-Q106 PolarHBondContact O-N 3.01Å; L104-Q106 PolarHBondContact O-NE2 3.22Å; Q106-G108 PolarHBondContact O-N 2.87Å; Q106-E109 HydrophobicContact CB-CB 3.91Å; Q106-E109 PolarHBondContact N-OE2 3.06Å; Q106-E109 WeakPolarHBondContact O-CB 3.35Å; Q106-E109 PolarHBondContact O-N 2.78Å
107E86Confident91.9Very high165 Ų16564.6 Ų64.677%0.77136%0.358SS*.THydrogen-bonded Turntrans-69.3117.8177177.8144.2-108.200112.2E109 K144E107-E109 VanDerWaalsContact C-N 3.27Å; E107-K144 VanDerWaalsContact CG-NZ 3.34Å; E107-K144 IonicContact OE1-NZ 3.53Å; E107-K144 PolarHBondContact OE1-NZ 3.39Å
108G87.2Confident92.1Very high83 Ų8360.2 Ų60.286%0.85634%0.342SS*.THydrogen-bonded Turntrans83.60.5-177.500000113.8Q106Q106-G108 PolarHBondContact O-N 2.87Å
109E90.7Very high92.3Very high35 Ų3560.7 Ų60.716%0.16434%0.34CS..  trans-77.1129.4171.7-178.4-178.8-152.100110.8Q105 Q106 E107 A113 Y114Q105-E109 HydrophobicContact CG-CB 4.43Å; Q105-E109 PolarHBondContact NE2-O 2.7Å; Q106-E109 HydrophobicContact CB-CB 3.91Å; Q106-E109 PolarHBondContact N-OE2 3.06Å; Q106-E109 WeakPolarHBondContact O-CB 3.35Å; Q106-E109 PolarHBondContact O-N 2.78Å; E107-E109 VanDerWaalsContact C-N 3.27Å; E109-A113 HydrophobicContact CG-CB 3.79Å; E109-Y114 WeakPolarHBondContact OE1-CA 3.38Å; E109-Y114 PolarHBondContact OE1-N 3.17Å; E109-Y114 VanDerWaalsContact OE1-N 3.12Å
110G91.8Very high92.4Very high25 Ų2565 Ų6526%0.25836%0.357SS..  trans-78.7151.9173.700000112.5A112 A113 Y114 E171G110-A112 PolarHBondContact O-N 3.11Å; G110-A113 PolarHBondContact O-N 3.26Å; G110-Y114 PolarHBondContact O-N 3.2Å; G110-E171 WeakPolarHBondContact CA-OE1 3.32Å
111V93.7Very high92.3Very high4 Ų467.4 Ų67.42%0.02437%0.37CS..Hα-helixtrans-50.8-37.6-177.7171.80000112.4A113 Y114 V115 L143 A167 I168 E171V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.47Å; V111-Y114 PolarHBondContact O-N 3.42Å; V111-V115 HydrophobicContact CG1-CG2 4.19Å; V111-V115 WeakPolarHBondContact O-CB 3.41Å; V111-V115 VanDerWaalsContact O-CG2 3.25Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.36Å; V111-L143 HydrophobicContact CG2-CD2 4.23Å; V111-A167 HydrophobicContact CG1-CB 3.69Å; V111-A167 HydrophobicContact CG2-CB 4.05Å; V111-I168 HydrophobicContact CB-CG1 4.45Å; V111-I168 HydrophobicContact CG1-CG1 4.13Å; V111-E171 HydrophobicContact CG2-CB 4.46Å; V111-E171 WeakPolarHBondContact CG2-OE1 3.48Å; V111-E171 PolarHBondContact N-OE1 3.19Å
112A93.3Very high92.4Very high68 Ų6863 Ų6356%0.56235%0.349SS*.Hα-helixtrans-65.1-34.1-179.900000113.8G110 A116G110-A112 PolarHBondContact O-N 3.11Å; A112-A116 PolarHBondContact O-N 2.9Å
113A93.3Very high92.3Very high47 Ų4760.7 Ų60.739%0.38835%0.35SS..Hα-helixtrans-73.5-46.617500000110.4E109 G110 V111 V115 A116 D117E109-A113 HydrophobicContact CG-CB 3.79Å; G110-A113 PolarHBondContact O-N 3.26Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.47Å; A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 PolarHBondContact O-N 2.84Å; A113-A116 WeakPolarHBondContact O-CA 3.16Å; A113-A116 VanDerWaalsContact O-CB 3.31Å; A113-A116 WeakPolarHBondContact O-CB 3Å; A113-A116 PolarHBondContact O-N 3.44Å; A113-D117 PolarHBondContact O-N 3.4Å
114Y96.4Very high92Very high1 Ų163 Ų630%0.00436%0.361CS..Hα-helixtrans-57.8-40.7177.8178.3-130.2000112.5C103 Q105 E109 G110 V111 A116 D117 L118 Q138 L139 G142C103-Y114 PolarHBondContact O-OH 3.32Å; Q105-Y114 HydrophobicContact CB-CD1 3.85Å; Q105-Y114 HydrophobicContact CB-CD2 4.13Å; Q105-Y114 HydrophobicContact CB-CE1 4.16Å; Q105-Y114 HydrophobicContact CB-CE2 4.44Å; Q105-Y114 HydrophobicContact CB-CG 3.85Å; Q105-Y114 HydrophobicContact CG-CD1 4.34Å; Q105-Y114 HydrophobicContact CG-CG 4.19Å; Q105-Y114 VanDerWaalsContact N-CE2 3.35Å; E109-Y114 WeakPolarHBondContact OE1-CA 3.38Å; E109-Y114 PolarHBondContact OE1-N 3.17Å; E109-Y114 VanDerWaalsContact OE1-N 3.12Å; G110-Y114 PolarHBondContact O-N 3.2Å; V111-Y114 PolarHBondContact O-N 3.42Å; Y114-A116 VanDerWaalsContact C-N 3.32Å; Y114-A116 PolarHBondContact O-N 3.02Å; Y114-D117 PolarHBondContact O-N 2.88Å; Y114-L118 HydrophobicContact CD1-CD1 4.26Å; Y114-L118 HydrophobicContact CD2-CG 4.28Å; Y114-L118 HydrophobicContact CE1-CD1 3.77Å; Y114-L118 HydrophobicContact CE1-CG 4.45Å; Y114-L118 HydrophobicContact CE2-CD1 4.06Å; Y114-L118 HydrophobicContact CE2-CD2 4.06Å; Y114-L118 HydrophobicContact CE2-CG 3.84Å; Y114-L118 WeakPolarHBondContact O-CG 3.42Å; Y114-L118 PolarHBondContact O-N 2.9Å; Y114-Q138 PolarHBondContact OH-O 2.76Å; Y114-L139 HydrophobicContact CD1-CD1 3.8Å; Y114-L139 HydrophobicContact CE1-CD1 3.8Å; Y114-G142 WeakPolarHBondContact OH-CA 3.23Å
115V95.7Very high91.8Very high17 Ų1758.7 Ų58.710%0.10334%0.339CS..Hα-helixtrans-66.9-30.2174.9170.30000112.6V111 A113 R119 L139 I164V111-V115 HydrophobicContact CG1-CG2 4.19Å; V111-V115 WeakPolarHBondContact O-CB 3.41Å; V111-V115 VanDerWaalsContact O-CG2 3.25Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.36Å; A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 PolarHBondContact O-N 2.84Å; V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 WeakPolarHBondContact O-CD 3.45Å; V115-R119 VanDerWaalsContact O-CG 3.27Å; V115-R119 WeakPolarHBondContact O-CG 3.27Å; V115-R119 PolarHBondContact O-N 3.3Å; V115-R119 VanDerWaalsContact O-N 3.15Å; V115-L139 HydrophobicContact CG2-CD1 3.81Å; V115-L139 HydrophobicContact CG2-CD2 4.21Å; V115-I164 HydrophobicContact CG1-CD1 3.88Å; V115-I164 HydrophobicContact CG1-CG1 4.32Å; V115-I164 HydrophobicContact CG2-CG1 4.09Å
116A94.2Very high91.6Very high52 Ų5262.1 Ų62.143%0.4336%0.358SS..Hα-helixtrans-70.3-44.4174.300000111.2A112 A113 Y114 R119 H120A112-A116 PolarHBondContact O-N 2.9Å; A113-A116 WeakPolarHBondContact O-CA 3.16Å; A113-A116 VanDerWaalsContact O-CB 3.31Å; A113-A116 WeakPolarHBondContact O-CB 3Å; A113-A116 PolarHBondContact O-N 3.44Å; Y114-A116 VanDerWaalsContact C-N 3.32Å; Y114-A116 PolarHBondContact O-N 3.02Å; A116-R119 WeakPolarHBondContact O-CB 3.5Å; A116-R119 PolarHBondContact O-N 3.33Å; A116-H120 PolarHBondContact O-N 3.47Å
117D93.8Very high91.7Very high84 Ų8457.4 Ų57.445%0.44934%0.336SS..Hα-helixtrans-62.5-43.4176.1-8420.1000111.9A113 Y114 R119 H120 L121A113-D117 PolarHBondContact O-N 3.4Å; Y114-D117 PolarHBondContact O-N 2.88Å; D117-R119 VanDerWaalsContact C-N 3.32Å; D117-R119 PolarHBondContact O-N 2.76Å; D117-H120 PolarHBondContact O-N 2.93Å; D117-L121 WeakPolarHBondContact O-CG 3.49Å; D117-L121 PolarHBondContact O-N 3.26Å
118L95.7Very high92Very high3 Ų352.4 Ų52.42%0.01633%0.329CS..Hα-helixtrans-59-41.2173.3-75.6179.1000112.7F100 C103 Y114 A122 L135 Q138 L139F100-L118 HydrophobicContact CE2-CD2 4.17Å; F100-L118 WeakPolarHBondContact CE2-O 3.23Å; C103-L118 HydrophobicContact CB-CD2 3.72Å; Y114-L118 HydrophobicContact CD1-CD1 4.26Å; Y114-L118 HydrophobicContact CD2-CG 4.28Å; Y114-L118 HydrophobicContact CE1-CD1 3.77Å; Y114-L118 HydrophobicContact CE1-CG 4.45Å; Y114-L118 HydrophobicContact CE2-CD1 4.06Å; Y114-L118 HydrophobicContact CE2-CD2 4.06Å; Y114-L118 HydrophobicContact CE2-CG 3.84Å; Y114-L118 WeakPolarHBondContact O-CG 3.42Å; Y114-L118 PolarHBondContact O-N 2.9Å; L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 2.98Å; L118-L135 HydrophobicContact CB-CD2 3.93Å; L118-Q138 HydrophobicContact CD2-CB 4.12Å; L118-Q138 HydrophobicContact CD2-CG 3.42Å; L118-Q138 VanDerWaalsContact CD2-CG 3.42Å; L118-L139 HydrophobicContact CD1-CB 3.98Å; L118-L139 HydrophobicContact CD1-CD1 4.4Å
119R94.5Very high92.2Very high117 Ų11753.9 Ų53.944%0.44233%0.326SS..Hα-helixtrans-65.3-47176.7-77.7169.5173.3-90.5-0.2111.2V115 A116 D117 L121 A122 D123 L135V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 WeakPolarHBondContact O-CD 3.45Å; V115-R119 VanDerWaalsContact O-CG 3.27Å; V115-R119 WeakPolarHBondContact O-CG 3.27Å; V115-R119 PolarHBondContact O-N 3.3Å; V115-R119 VanDerWaalsContact O-N 3.15Å; A116-R119 WeakPolarHBondContact O-CB 3.5Å; A116-R119 PolarHBondContact O-N 3.33Å; D117-R119 VanDerWaalsContact C-N 3.32Å; D117-R119 PolarHBondContact O-N 2.76Å; R119-L121 VanDerWaalsContact C-N 3.34Å; R119-L121 PolarHBondContact O-N 2.99Å; R119-A122 WeakPolarHBondContact O-CB 3.5Å; R119-A122 PolarHBondContact O-N 2.93Å; R119-D123 PolarHBondContact O-N 2.82Å; R119-L135 HydrophobicContact CG-CD1 4.2Å; R119-L135 HydrophobicContact CG-CD2 4.2Å
120H90.8Very high92.3Very high138 Ų13855.7 Ų55.764%0.63934%0.336SS*.Hα-helixtrans-59.3-42.8178.5-178.642.8000112.5A116 D117 A122A116-H120 PolarHBondContact O-N 3.47Å; D117-H120 PolarHBondContact O-N 2.93Å; H120-A122 VanDerWaalsContact C-N 3.29Å; H120-A122 PolarHBondContact O-N 2.62Å
121L91.2Very high92.4Very high52 Ų5257.8 Ų57.827%0.27234%0.341SS..Hα-helixtrans-68.8-26.1175-68.9174.8000113.2T99 F100 C103 D117 R119 C125T99-L121 HydrophobicContact CG2-CD1 4.49Å; T99-L121 HydrophobicContact CG2-CD2 3.87Å; F100-L121 HydrophobicContact CB-CB 4.35Å; F100-L121 HydrophobicContact CD2-CB 4.06Å; C103-L121 HydrophobicContact CB-CD1 3.6Å; D117-L121 WeakPolarHBondContact O-CG 3.49Å; D117-L121 PolarHBondContact O-N 3.26Å; R119-L121 VanDerWaalsContact C-N 3.34Å; R119-L121 PolarHBondContact O-N 2.99Å; L121-C125 PolarHBondContact O-SG 3.36Å
122A93.9Very high92.4Very high4 Ų460.9 Ų60.93%0.03336%0.363CS..Hα-helixtrans-78.6-26-179.500000113.9F100 L118 R119 H120 D124 C125 F127 L131 L135F100-A122 HydrophobicContact CD2-CB 4.07Å; F100-A122 HydrophobicContact CE2-CB 3.84Å; L118-A122 VanDerWaalsContact O-CB 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 2.98Å; R119-A122 WeakPolarHBondContact O-CB 3.5Å; R119-A122 PolarHBondContact O-N 2.93Å; H120-A122 VanDerWaalsContact C-N 3.29Å; H120-A122 PolarHBondContact O-N 2.62Å; A122-D124 PolarHBondContact O-N 2.96Å; A122-C125 WeakPolarHBondContact O-CB 3.44Å; A122-C125 PolarHBondContact O-N 2.8Å; A122-F127 HydrophobicContact CB-CD2 4.08Å; A122-F127 HydrophobicContact CB-CE2 4Å; A122-L131 HydrophobicContact CB-CD1 3.68Å; A122-L135 HydrophobicContact CB-CD2 4.01Å; A122-L135 HydrophobicContact CB-CG 4.49Å
123D89Confident92.5Very high122 Ų12262.2 Ų62.265%0.65236%0.358SS*.Hα-helixtrans-52.1-41.3-176.8-72.1-31.8000112.5R119R119-D123 PolarHBondContact O-N 2.82Å
124D84.5Confident92.6Very high65 Ų6563.8 Ų63.835%0.34835%0.354SS..THydrogen-bonded Turntrans-90.2-12.4-177.7-110.7-19.5000113.8K90 Q96 A122 N126K90-D124 WeakPolarHBondContact CE-OD1 3.23Å; K90-D124 IonicContact NZ-OD1 2.64Å; K90-D124 PolarHBondContact NZ-OD1 3.01Å; Q96-D124 HydrophobicContact CG-CB 4Å; Q96-D124 VanDerWaalsContact NE2-CB 3.32Å; Q96-D124 PolarHBondContact NE2-OD2 3.07Å; Q96-D124 PolarHBondContact OE1-O 2.85Å; A122-D124 PolarHBondContact O-N 2.96Å; D124-N126 PolarHBondContact O-N 3.04Å
125C89.8Confident92.6Very high0 Ų064.1 Ų64.10%036%0.356CS..SBendtrans-74.2-6.4-172.2-79.30000114.9Q96 R97 L121 A122 F127Q96-C125 PolarHBondContact O-SG 2.93Å; R97-C125 HydrophobicContact CG-CB 3.95Å; R97-C125 PolarHBondContact NE-O 2.74Å; R97-C125 PolarHBondContact NH2-O 3.26Å; L121-C125 PolarHBondContact O-SG 3.36Å; A122-C125 WeakPolarHBondContact O-CB 3.44Å; A122-C125 PolarHBondContact O-N 2.8Å; C125-F127 HydrophobicContact CB-CD1 4.2Å; C125-F127 HydrophobicContact CB-CD2 3.63Å; C125-F127 HydrophobicContact CB-CE1 3.9Å; C125-F127 HydrophobicContact CB-CE2 3.29Å; C125-F127 HydrophobicContact CB-CG 4.08Å; C125-F127 HydrophobicContact CB-CZ 3.43Å; C125-F127 VanDerWaalsContact CB-CZ 3.43Å; C125-F127 PolarHBondContact O-N 3.19Å
126N89.7Confident92.6Very high101 Ų10166 Ų6654%0.5436%0.361SS..  trans48.354.1-176.5-69-16.3000112.4V93 R97 D124V93-N126 HydrophobicContact CG1-CB 4.4Å; R97-N126 PolarHBondContact NH2-O 3.39Å; D124-N126 PolarHBondContact O-N 3.04Å
127F91.6Very high92.6Very high22 Ų2266.3 Ų66.310%0.09636%0.355CS..  trans-78.8-18.1179.4-68.6-49.3000114.3R97 F100 A122 C125 S129 N130 L131 R134R97-F127 HydrophobicContact CG-CE1 3.87Å; R97-F127 HydrophobicContact CG-CZ 4.17Å; F100-F127 AromaticContact CD1-CE2 3.91Å; F100-F127 HydrophobicContact CD1-CE2 3.91Å; F100-F127 AromaticContact CD1-CZ 3.57Å; F100-F127 HydrophobicContact CD1-CZ 3.57Å; F100-F127 HydrophobicContact CD2-CE2 4.07Å; F100-F127 HydrophobicContact CD2-CZ 4.48Å; F100-F127 AromaticContact CE1-CE2 3.86Å; F100-F127 HydrophobicContact CE1-CE2 3.86Å; F100-F127 AromaticContact CE1-CZ 3.76Å; F100-F127 HydrophobicContact CE1-CZ 3.76Å; F100-F127 HydrophobicContact CE2-CE2 4.04Å; F100-F127 HydrophobicContact CG-CE2 4.01Å; F100-F127 AromaticContact CG-CZ 3.96Å; F100-F127 HydrophobicContact CG-CZ 3.96Å; F100-F127 AromaticContact CZ-CE2 3.93Å; F100-F127 HydrophobicContact CZ-CE2 3.93Å; F100-F127 HydrophobicContact CZ-CZ 4.31Å; A122-F127 HydrophobicContact CB-CD2 4.08Å; A122-F127 HydrophobicContact CB-CE2 4Å; C125-F127 HydrophobicContact CB-CD1 4.2Å; C125-F127 HydrophobicContact CB-CD2 3.63Å; C125-F127 HydrophobicContact CB-CE1 3.9Å; C125-F127 HydrophobicContact CB-CE2 3.29Å; C125-F127 HydrophobicContact CB-CG 4.08Å; C125-F127 HydrophobicContact CB-CZ 3.43Å; C125-F127 VanDerWaalsContact CB-CZ 3.43Å; C125-F127 PolarHBondContact O-N 3.19Å; F127-S129 PolarHBondContact O-N 2.9Å; F127-N130 PolarHBondContact O-N 3.06Å; F127-L131 HydrophobicContact CB-CB 4.13Å; F127-L131 HydrophobicContact CB-CD1 4.31Å; F127-L131 HydrophobicContact CD2-CD1 3.92Å; F127-R134 HydrophobicContact CB-CG 4.47Å; F127-R134 HydrophobicContact CD1-CB 4.2Å; F127-R134 HydrophobicContact CD1-CG 3.77Å; F127-R134 HydrophobicContact CD2-CB 4.07Å; F127-R134 HydrophobicContact CD2-CG 4.46Å; F127-R134 HydrophobicContact CE1-CB 4.24Å; F127-R134 HydrophobicContact CE1-CG 4.04Å; F127-R134 HydrophobicContact CE2-CB 4.09Å; F127-R134 HydrophobicContact CG-CB 4.13Å; F127-R134 HydrophobicContact CG-CG 4.01Å; F127-R134 HydrophobicContact CZ-CB 4.18Å; F127-R134 HydrophobicContact CZ-CG 4.48Å
128G91.2Very high92.8Very high61 Ų6163.3 Ų63.363%0.62934%0.339SS*.G310 helixtrans59.3-132.5177.800000112.4N130 L131G128-N130 PolarHBondContact O-N 3.45Å; G128-L131 WeakPolarHBondContact O-CB 3.3Å; G128-L131 PolarHBondContact O-N 2.79Å
129S91.7Very high92.8Very high113 Ų11363.2 Ų63.279%0.7934%0.338SS*.G310 helixtrans-55.3-31.3177.243.60000114F127 L131F127-S129 PolarHBondContact O-N 2.9Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 2.8Å
130N92.9Very high92.8Very high73 Ų7357.9 Ų57.939%0.3932%0.318SS..G310 helixtrans-89.25.4-171.1-60.852.5000112.3F127 G128 S132 E133 R134F127-N130 PolarHBondContact O-N 3.06Å; G128-N130 PolarHBondContact O-N 3.45Å; N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 2.96Å; N130-E133 WeakPolarHBondContact CB-OE2 3.25Å; N130-E133 VanDerWaalsContact CG-OE2 3.31Å; N130-E133 PolarHBondContact ND2-OE2 2.9Å; N130-E133 WeakPolarHBondContact O-CB 3.24Å; N130-E133 PolarHBondContact O-N 2.9Å; N130-R134 HydrophobicContact CB-CG 4.4Å; N130-R134 VanDerWaalsContact O-CG 3.3Å; N130-R134 WeakPolarHBondContact O-CG 3.35Å; N130-R134 PolarHBondContact O-N 3.32Å
131L93.8Very high92.9Very high69 Ų6955 Ų5536%0.36131%0.313SS..Hα-helixtrans-49.6-47.6-179.5175.660.8000112.5A122 F127 G128 S129 E133 R134 L135A122-L131 HydrophobicContact CB-CD1 3.68Å; F127-L131 HydrophobicContact CB-CB 4.13Å; F127-L131 HydrophobicContact CB-CD1 4.31Å; F127-L131 HydrophobicContact CD2-CD1 3.92Å; G128-L131 WeakPolarHBondContact O-CB 3.3Å; G128-L131 PolarHBondContact O-N 2.79Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 2.8Å; L131-E133 PolarHBondContact O-N 3.2Å; L131-R134 PolarHBondContact O-N 2.73Å; L131-L135 HydrophobicContact CD1-CD1 3.82Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 WeakPolarHBondContact O-CB 3.15Å; L131-L135 WeakPolarHBondContact O-CG 3.31Å; L131-L135 PolarHBondContact O-N 2.94Å
132S94Very high92.9Very high69 Ų6952.7 Ų52.748%0.48330%0.302SS..Hα-helixtrans-63.8-38.4179.4-56.90000113N130 R136N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 2.96Å; S132-R136 WeakPolarHBondContact O-CB 3.43Å; S132-R136 PolarHBondContact O-N 2.9Å
133E94.7Very high93Very high96 Ų9653.1 Ų53.145%0.44930%0.303SS..Hα-helixtrans-67.8-45.9177.2-58.6174.4157.600110.7N130 L131 L135 R136 D137N130-E133 WeakPolarHBondContact CB-OE2 3.25Å; N130-E133 VanDerWaalsContact CG-OE2 3.31Å; N130-E133 PolarHBondContact ND2-OE2 2.9Å; N130-E133 WeakPolarHBondContact O-CB 3.24Å; N130-E133 PolarHBondContact O-N 2.9Å; L131-E133 PolarHBondContact O-N 3.2Å; E133-L135 PolarHBondContact O-N 2.92Å; E133-R136 WeakPolarHBondContact O-CB 3.48Å; E133-R136 PolarHBondContact O-N 2.7Å; E133-R136 VanDerWaalsContact O-N 3.13Å; E133-D137 VanDerWaalsContact O-CG 3.28Å; E133-D137 PolarHBondContact O-N 2.81Å
134R95.6Very high93.1Very high80 Ų8052.4 Ų52.430%0.30229%0.294SS..Hα-helixtrans-66.8-39-178.9-59.5-63.5-77.1174-10111.8F100 F127 N130 L131 Q138F100-R134 HydrophobicContact CE1-CB 4.31Å; F100-R134 HydrophobicContact CZ-CB 4.42Å; F100-R134 WeakPolarHBondContact CZ-O 3.32Å; F127-R134 HydrophobicContact CB-CG 4.47Å; F127-R134 HydrophobicContact CD1-CB 4.2Å; F127-R134 HydrophobicContact CD1-CG 3.77Å; F127-R134 HydrophobicContact CD2-CB 4.07Å; F127-R134 HydrophobicContact CD2-CG 4.46Å; F127-R134 HydrophobicContact CE1-CB 4.24Å; F127-R134 HydrophobicContact CE1-CG 4.04Å; F127-R134 HydrophobicContact CE2-CB 4.09Å; F127-R134 HydrophobicContact CG-CB 4.13Å; F127-R134 HydrophobicContact CG-CG 4.01Å; F127-R134 HydrophobicContact CZ-CB 4.18Å; F127-R134 HydrophobicContact CZ-CG 4.48Å; N130-R134 HydrophobicContact CB-CG 4.4Å; N130-R134 VanDerWaalsContact O-CG 3.3Å; N130-R134 WeakPolarHBondContact O-CG 3.35Å; N130-R134 PolarHBondContact O-N 3.32Å; L131-R134 PolarHBondContact O-N 2.73Å; R134-Q138 WeakPolarHBondContact O-CB 3.14Å; R134-Q138 PolarHBondContact O-N 3.43Å
135L96.6Very high93.4Very high8 Ų852 Ų524%0.04229%0.293CS..Hα-helixtrans-63.2-41.1170.6-75.2170.1000111.7F100 L118 R119 A122 L131 E133 L139 L160F100-L135 HydrophobicContact CE2-CD2 3.94Å; F100-L135 HydrophobicContact CZ-CD2 4.29Å; L118-L135 HydrophobicContact CB-CD2 3.93Å; R119-L135 HydrophobicContact CG-CD1 4.2Å; R119-L135 HydrophobicContact CG-CD2 4.2Å; A122-L135 HydrophobicContact CB-CD2 4.01Å; A122-L135 HydrophobicContact CB-CG 4.49Å; L131-L135 HydrophobicContact CD1-CD1 3.82Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 WeakPolarHBondContact O-CB 3.15Å; L131-L135 WeakPolarHBondContact O-CG 3.31Å; L131-L135 PolarHBondContact O-N 2.94Å; E133-L135 PolarHBondContact O-N 2.92Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 PolarHBondContact O-N 3.21Å; L135-L160 HydrophobicContact CB-CD1 3.81Å; L135-L160 HydrophobicContact CB-CD2 3.83Å; L135-L160 HydrophobicContact CB-CG 4.46Å; L135-L160 HydrophobicContact CD1-CD2 3.85Å
136R95.7Very high93.4Very high56 Ų5659.5 Ų59.521%0.21133%0.328CS..Hα-helixtrans-65.2-50.2177-178.3-16955.751.710.2111.4S132 E133 Q138 L139 V140 L158 L160 A163S132-R136 WeakPolarHBondContact O-CB 3.43Å; S132-R136 PolarHBondContact O-N 2.9Å; E133-R136 WeakPolarHBondContact O-CB 3.48Å; E133-R136 PolarHBondContact O-N 2.7Å; E133-R136 VanDerWaalsContact O-N 3.13Å; R136-Q138 PolarHBondContact O-N 2.92Å; R136-L139 PolarHBondContact O-N 3.48Å; R136-V140 WeakPolarHBondContact O-CG2 3.44Å; R136-V140 PolarHBondContact O-N 2.92Å; R136-L158 WeakPolarHBondContact CD-O 3.33Å; R136-L158 HydrophobicContact CG-CD2 4.42Å; R136-L158 HydrophobicContact CG-CG 4.46Å; R136-L158 PolarHBondContact NE-O 3.22Å; R136-L160 HydrophobicContact CB-CB 4.4Å; R136-L160 HydrophobicContact CB-CD1 4.36Å; R136-A163 HydrophobicContact CG-CB 4.21Å
137D95.1Very high93.4Very high59 Ų5958.9 Ų58.932%0.31632%0.321SS..Hα-helixtrans-58.3-48.5-180-69.4-28.5000110.8E133 V140 C141E133-D137 VanDerWaalsContact O-CG 3.28Å; E133-D137 PolarHBondContact O-N 2.81Å; D137-V140 PolarHBondContact O-N 3.11Å; D137-C141 WeakPolarHBondContact O-CB 3.43Å; D137-C141 PolarHBondContact O-N 2.97Å; D137-C141 PolarHBondContact O-SG 3.05Å; D137-C141 VanDerWaalsContact O-SG 3.34Å
138Q95.9Very high93.4Very high22 Ų2258 Ų5810%0.10332%0.318CS..Hα-helixtrans-69.3-37.7-179.4-168.66430.700112.3F100 Q101 C103 Y114 L118 R134 R136 G142F100-Q138 HydrophobicContact CD1-CB 4.48Å; F100-Q138 HydrophobicContact CD1-CG 4.36Å; F100-Q138 HydrophobicContact CE1-CB 3.58Å; F100-Q138 HydrophobicContact CE1-CG 3.91Å; F100-Q138 HydrophobicContact CE2-CB 4.48Å; F100-Q138 HydrophobicContact CZ-CB 3.58Å; F100-Q138 HydrophobicContact CZ-CG 4.02Å; F100-Q138 PolarHBondContact O-NE2 2.8Å; Q101-Q138 PolarHBondContact O-NE2 3.21Å; Q101-Q138 VanDerWaalsContact O-NE2 3.08Å; C103-Q138 PolarHBondContact O-NE2 2.89Å; Y114-Q138 PolarHBondContact OH-O 2.76Å; L118-Q138 HydrophobicContact CD2-CB 4.12Å; L118-Q138 HydrophobicContact CD2-CG 3.42Å; L118-Q138 VanDerWaalsContact CD2-CG 3.42Å; R134-Q138 WeakPolarHBondContact O-CB 3.14Å; R134-Q138 PolarHBondContact O-N 3.43Å; R136-Q138 PolarHBondContact O-N 2.92Å; Q138-G142 PolarHBondContact O-N 2.93Å; Q138-G142 VanDerWaalsContact O-N 3.07Å
139L96.1Very high93.5Very high1 Ų157.9 Ų57.91%0.00530%0.301CS..Hα-helixtrans-56.9-54.6172.6173.760.8000110.1Y114 V115 L118 L135 R136 G142 L143 L160 A163 I164Y114-L139 HydrophobicContact CD1-CD1 3.8Å; Y114-L139 HydrophobicContact CE1-CD1 3.8Å; V115-L139 HydrophobicContact CG2-CD1 3.81Å; V115-L139 HydrophobicContact CG2-CD2 4.21Å; L118-L139 HydrophobicContact CD1-CB 3.98Å; L118-L139 HydrophobicContact CD1-CD1 4.4Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 PolarHBondContact O-N 3.21Å; R136-L139 PolarHBondContact O-N 3.48Å; L139-G142 PolarHBondContact O-N 2.76Å; L139-L143 HydrophobicContact CD1-CD2 4.29Å; L139-L143 HydrophobicContact CD1-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 3.44Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L139-L160 HydrophobicContact CD2-CD1 4.37Å; L139-A163 HydrophobicContact CD2-CB 3.97Å; L139-I164 HydrophobicContact CD2-CG1 3.74Å
140V94.8Very high93.5Very high4 Ų459.6 Ų59.62%0.02429%0.29CS..Hα-helixtrans-61.1-51.7-177.1176.30000111.3R136 D137 G142 E149 L152 L153 L158R136-V140 WeakPolarHBondContact O-CG2 3.44Å; R136-V140 PolarHBondContact O-N 2.92Å; D137-V140 PolarHBondContact O-N 3.11Å; V140-G142 PolarHBondContact O-N 3.35Å; V140-G142 VanDerWaalsContact O-N 3.16Å; V140-E149 HydrophobicContact CG1-CG 4.27Å; V140-L152 HydrophobicContact CG1-CB 4.03Å; V140-L152 HydrophobicContact CG2-CB 4Å; V140-L152 HydrophobicContact CG2-CD1 4.09Å; V140-L153 HydrophobicContact CG1-CD2 3.62Å; V140-L153 HydrophobicContact CG1-CG 3.72Å; V140-L158 HydrophobicContact CG2-CD2 4.06Å
141C92.4Very high93.4Very high77 Ų7760.8 Ų60.852%0.5229%0.289SS..THydrogen-bonded Turntrans-72.9-1.8-177.7-61.70000114.8D137D137-C141 WeakPolarHBondContact O-CB 3.43Å; D137-C141 PolarHBondContact O-N 2.97Å; D137-C141 PolarHBondContact O-SG 3.05Å; D137-C141 VanDerWaalsContact O-SG 3.34Å
142G92.8Very high93.4Very high4 Ų457.7 Ų57.74%0.04127%0.273CS..THydrogen-bonded Turntrans-126.67-178.800000114.8Q105 Y114 Q138 L139 V140Q105-G142 WeakPolarHBondContact CB-O 3.48Å; Q105-G142 PolarHBondContact N-O 2.83Å; Y114-G142 WeakPolarHBondContact OH-CA 3.23Å; Q138-G142 PolarHBondContact O-N 2.93Å; Q138-G142 VanDerWaalsContact O-N 3.07Å; L139-G142 PolarHBondContact O-N 2.76Å; V140-G142 PolarHBondContact O-N 3.35Å; V140-G142 VanDerWaalsContact O-N 3.16Å
143L94.7Very high93.3Very high13 Ų1359.6 Ų59.67%0.06828%0.277CS..  trans-64.4148.3168-81.4164.9000111V111 L139 L148 L152 A167V111-L143 HydrophobicContact CG2-CD2 4.23Å; L139-L143 HydrophobicContact CD1-CD2 4.29Å; L139-L143 HydrophobicContact CD1-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 3.44Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L143-L148 HydrophobicContact CD1-CD2 3.75Å; L143-L148 HydrophobicContact CD1-CG 3.93Å; L143-L148 HydrophobicContact CD2-CD2 4Å; L143-L148 HydrophobicContact CG-CD2 4.44Å; L143-L152 HydrophobicContact CD1-CD1 3.58Å; L143-A167 HydrophobicContact CD2-CB 4.39Å
144K91.4Very high93.2Very high107 Ų10758.9 Ų58.947%0.46529%0.287SS..SBendtrans-85.3-19.9175.9-177.4169.3177.91740113.9Q105 E107 E146Q105-K144 HydrophobicContact CB-CB 4.37Å; Q105-K144 HydrophobicContact CG-CB 4.42Å; E107-K144 VanDerWaalsContact CG-NZ 3.34Å; E107-K144 IonicContact OE1-NZ 3.53Å; E107-K144 PolarHBondContact OE1-NZ 3.39Å; K144-E146 PolarHBondContact O-N 3.5Å
145D90.5Very high92.9Very high58 Ų5857.9 Ų57.931%0.3129%0.292SS..  trans-9099.7179.7-179-13.8000110.2E147 L148 E149D145-E147 PolarHBondContact O-N 2.93Å; D145-E147 PolarHBondContact OD1-N 2.87Å; D145-L148 HydrophobicContact CB-CB 3.78Å; D145-L148 HydrophobicContact CB-CD2 4.45Å; D145-L148 WeakPolarHBondContact O-CB 3.39Å; D145-L148 PolarHBondContact O-N 3.43Å; D145-L148 VanDerWaalsContact O-N 3.16Å; D145-L148 PolarHBondContact OD1-N 2.79Å; D145-E149 PolarHBondContact O-N 2.74Å
146E90Very high92.1Very high157 Ų15762.3 Ų62.373%0.73433%0.33SS*.Hα-helixtrans-55.1-32.9178.7-64.5173.5-159.100113.2K144 R150K144-E146 PolarHBondContact O-N 3.5Å; E146-R150 WeakPolarHBondContact O-CB 3.32Å; E146-R150 PolarHBondContact O-N 2.76Å
147E89.8Confident91.8Very high88 Ų8868.4 Ų68.441%0.41136%0.36SS..Hα-helixtrans-81.4-30.9-179176.657.7-159.200111.6D145 R150 R151D145-E147 PolarHBondContact O-N 2.93Å; D145-E147 PolarHBondContact OD1-N 2.87Å; E147-R150 IonicContact OE1-CZ 3.76Å; E147-R150 IonicContact OE1-NE 2.78Å; E147-R150 IonicContact OE1-NH2 2.56Å; E147-R150 PolarHBondContact OE1-NH2 2.99Å; E147-R150 IonicContact OE2-CZ 2.67Å; E147-R150 VanDerWaalsContact OE2-CZ 3.26Å; E147-R150 IonicContact OE2-NE 2.73Å; E147-R150 PolarHBondContact OE2-NE 2.78Å; E147-R150 IonicContact OE2-NH2 3.15Å; E147-R150 PolarHBondContact OE2-NH2 2.95Å; E147-R151 VanDerWaalsContact O-CB 3.31Å; E147-R151 WeakPolarHBondContact O-CB 3.01Å; E147-R151 PolarHBondContact O-N 3.5Å; E147-R151 VanDerWaalsContact O-N 3.14Å
148L92.4Very high91.6Very high4 Ų467.4 Ų67.42%0.02136%0.355CS..Hα-helixtrans-68.7-47.4167.6175.263.8000111.2L143 D145 R150 R151 L152 E166 A167 A170L143-L148 HydrophobicContact CD1-CD2 3.75Å; L143-L148 HydrophobicContact CD1-CG 3.93Å; L143-L148 HydrophobicContact CD2-CD2 4Å; L143-L148 HydrophobicContact CG-CD2 4.44Å; D145-L148 HydrophobicContact CB-CB 3.78Å; D145-L148 HydrophobicContact CB-CD2 4.45Å; D145-L148 WeakPolarHBondContact O-CB 3.39Å; D145-L148 PolarHBondContact O-N 3.43Å; D145-L148 VanDerWaalsContact O-N 3.16Å; D145-L148 PolarHBondContact OD1-N 2.79Å; L148-R150 PolarHBondContact O-N 2.84Å; L148-R151 WeakPolarHBondContact O-CB 3.16Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.11Å; L148-L152 HydrophobicContact CG-CD1 4.07Å; L148-L152 HydrophobicContact CG-CG 4.48Å; L148-L152 WeakPolarHBondContact O-CG 3.13Å; L148-L152 PolarHBondContact O-N 3.05Å; L148-E166 HydrophobicContact CD1-CG 3.93Å; L148-A167 HydrophobicContact CD2-CB 3.88Å; L148-A170 HydrophobicContact CD1-CB 3.74Å; L148-A170 HydrophobicContact CD2-CB 4.07Å; L148-A170 HydrophobicContact CG-CB 4.35Å
149E92.8Very high91.6Very high57 Ų5770.1 Ų70.127%0.26637%0.37SS..Hα-helixtrans-54.1-54.2174.6177.4-172.9174.100110.1V140 D145 R151 L152 L153V140-E149 HydrophobicContact CG1-CG 4.27Å; D145-E149 PolarHBondContact O-N 2.74Å; E149-R151 PolarHBondContact O-N 2.99Å; E149-L152 PolarHBondContact O-N 2.82Å; E149-L152 VanDerWaalsContact O-N 3.07Å; E149-L153 HydrophobicContact CG-CD1 3.79Å; E149-L153 HydrophobicContact CG-CG 4.22Å; E149-L153 WeakPolarHBondContact O-CB 3.35Å; E149-L153 WeakPolarHBondContact O-CG 3.42Å; E149-L153 PolarHBondContact O-N 3.16Å
150R91.5Very high91.5Very high150 Ų15070.7 Ų70.757%0.56637%0.373SS*.Hα-helixtrans-56.9-33.5178.8-169.4-174.575.277.23.7112.8E146 E147 L148 A154E146-R150 WeakPolarHBondContact O-CB 3.32Å; E146-R150 PolarHBondContact O-N 2.76Å; E147-R150 IonicContact OE1-CZ 3.76Å; E147-R150 IonicContact OE1-NE 2.78Å; E147-R150 IonicContact OE1-NH2 2.56Å; E147-R150 PolarHBondContact OE1-NH2 2.99Å; E147-R150 IonicContact OE2-CZ 2.67Å; E147-R150 VanDerWaalsContact OE2-CZ 3.26Å; E147-R150 IonicContact OE2-NE 2.73Å; E147-R150 PolarHBondContact OE2-NE 2.78Å; E147-R150 IonicContact OE2-NH2 3.15Å; E147-R150 PolarHBondContact OE2-NH2 2.95Å; L148-R150 PolarHBondContact O-N 2.84Å; R150-A154 WeakPolarHBondContact O-CB 3.41Å; R150-A154 PolarHBondContact O-N 3.14Å
151R91.7Very high91.5Very high97 Ų9775 Ų7537%0.36640%0.396SS..Hα-helixtrans-72.9-43.5176-169.6-171.6-50.2155.912.5112E147 L148 E149 A154 C155 E166E147-R151 VanDerWaalsContact O-CB 3.31Å; E147-R151 WeakPolarHBondContact O-CB 3.01Å; E147-R151 PolarHBondContact O-N 3.5Å; E147-R151 VanDerWaalsContact O-N 3.14Å; L148-R151 WeakPolarHBondContact O-CB 3.16Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å; E149-R151 PolarHBondContact O-N 2.99Å; R151-A154 WeakPolarHBondContact O-CB 3.47Å; R151-A154 PolarHBondContact O-N 2.85Å; R151-C155 PolarHBondContact O-N 3.23Å; R151-C155 PolarHBondContact O-SG 3.45Å; R151-E166 WeakPolarHBondContact CD-OE1 3.04Å; R151-E166 IonicContact CZ-OE1 3.21Å; R151-E166 IonicContact NE-OE1 3.47Å; R151-E166 IonicContact NH1-OE1 2.69Å; R151-E166 PolarHBondContact NH1-OE1 2.78Å
152L93.7Very high91.5Very high5 Ų572.1 Ų72.13%0.02638%0.379CS..Hα-helixtrans-68.2-38.3177.9-68.1176.5000112V140 L143 L148 E149 A154 C155 L158 E166V140-L152 HydrophobicContact CG1-CB 4.03Å; V140-L152 HydrophobicContact CG2-CB 4Å; V140-L152 HydrophobicContact CG2-CD1 4.09Å; L143-L152 HydrophobicContact CD1-CD1 3.58Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.11Å; L148-L152 HydrophobicContact CG-CD1 4.07Å; L148-L152 HydrophobicContact CG-CG 4.48Å; L148-L152 WeakPolarHBondContact O-CG 3.13Å; L148-L152 PolarHBondContact O-N 3.05Å; E149-L152 PolarHBondContact O-N 2.82Å; E149-L152 VanDerWaalsContact O-N 3.07Å; L152-A154 PolarHBondContact O-N 2.73Å; L152-C155 WeakPolarHBondContact O-CB 3.32Å; L152-C155 PolarHBondContact O-N 2.79Å; L152-C155 VanDerWaalsContact O-N 3.15Å; L152-L158 HydrophobicContact CB-CD2 4.02Å; L152-L158 HydrophobicContact CD2-CD1 4.24Å; L152-L158 HydrophobicContact CD2-CD2 4Å; L152-E166 HydrophobicContact CD2-CB 3.93Å; L152-E166 HydrophobicContact CD2-CG 3.79Å
153L92.1Very high91.6Very high109 Ų10972 Ų7257%0.57138%0.377SS*.THydrogen-bonded Turntrans-65.8-19.7171.9-70176.2000113.3V140 E149V140-L153 HydrophobicContact CG1-CD2 3.62Å; V140-L153 HydrophobicContact CG1-CG 3.72Å; E149-L153 HydrophobicContact CG-CD1 3.79Å; E149-L153 HydrophobicContact CG-CG 4.22Å; E149-L153 WeakPolarHBondContact O-CB 3.35Å; E149-L153 WeakPolarHBondContact O-CG 3.42Å; E149-L153 PolarHBondContact O-N 3.16Å
154A91.7Very high91.6Very high80 Ų8072.8 Ų72.866%0.66138%0.382SS*.THydrogen-bonded Turntrans-87.5-5.3174.500000113.6R150 R151 L152R150-A154 WeakPolarHBondContact O-CB 3.41Å; R150-A154 PolarHBondContact O-N 3.14Å; R151-A154 WeakPolarHBondContact O-CB 3.47Å; R151-A154 PolarHBondContact O-N 2.85Å; L152-A154 PolarHBondContact O-N 2.73Å
155C88.4Confident91.8Very high59 Ų5976 Ų7640%0.39939%0.391SS..  trans-77.6122.8174.5-64.80000110.7R151 L152 L158R151-C155 PolarHBondContact O-N 3.23Å; R151-C155 PolarHBondContact O-SG 3.45Å; L152-C155 WeakPolarHBondContact O-CB 3.32Å; L152-C155 PolarHBondContact O-N 2.79Å; L152-C155 VanDerWaalsContact O-N 3.15Å; C155-L158 HydrophobicContact CB-CB 4.07Å; C155-L158 HydrophobicContact CB-CD1 4.46Å
156A81.5Confident92Very high101 Ų10176.5 Ų76.584%0.83539%0.391SS*.SBendtrans-67.5-39.7-179.400000113.4
157E87.7Confident92.2Very high184 Ų18469 Ų6986%0.8636%0.356SS*.SBendtrans-128.1114.1174.6-68.6-66.2162.100107.3
158L92.2Very high92.4Very high38 Ų3868.2 Ų68.220%0.19935%0.354CS..  trans-130.9126.8-180-175.264.8000108.2R136 V140 L152 C155 A163R136-L158 WeakPolarHBondContact CD-O 3.33Å; R136-L158 HydrophobicContact CG-CD2 4.42Å; R136-L158 HydrophobicContact CG-CG 4.46Å; R136-L158 PolarHBondContact NE-O 3.22Å; V140-L158 HydrophobicContact CG2-CD2 4.06Å; L152-L158 HydrophobicContact CB-CD2 4.02Å; L152-L158 HydrophobicContact CD2-CD1 4.24Å; L152-L158 HydrophobicContact CD2-CD2 4Å; C155-L158 HydrophobicContact CB-CB 4.07Å; C155-L158 HydrophobicContact CB-CD1 4.46Å; L158-A163 HydrophobicContact CD1-CB 4.2Å; L158-A163 HydrophobicContact CD2-CB 4Å; L158-A163 HydrophobicContact CG-CB 4.11Å
159D94.8Very high92.4Very high80 Ų8070.5 Ų70.543%0.42837%0.373SS..  trans-100.1167.8169.985.1-54.7000110.5N161 G162 A163D159-N161 VanDerWaalsContact C-N 3.26Å; D159-N161 PolarHBondContact O-N 2.85Å; D159-N161 VanDerWaalsContact OD2-CB 3.26Å; D159-N161 WeakPolarHBondContact OD2-CB 3.36Å; D159-N161 PolarHBondContact OD2-N 3.12Å; D159-N161 PolarHBondContact OD2-ND2 3.23Å; D159-G162 PolarHBondContact O-N 3.37Å; D159-G162 WeakPolarHBondContact OD1-CA 3.25Å; D159-G162 PolarHBondContact OD1-N 2.87Å; D159-A163 PolarHBondContact O-N 2.94Å
160L94.1Very high92.4Very high13 Ų1368.1 Ų68.17%0.06836%0.364CS..Hα-helixtrans-58.3-38.6178.4178.260.6000112.1L135 R136 L139 A163 I164L135-L160 HydrophobicContact CB-CD1 3.81Å; L135-L160 HydrophobicContact CB-CD2 3.83Å; L135-L160 HydrophobicContact CB-CG 4.46Å; L135-L160 HydrophobicContact CD1-CD2 3.85Å; R136-L160 HydrophobicContact CB-CB 4.4Å; R136-L160 HydrophobicContact CB-CD1 4.36Å; L139-L160 HydrophobicContact CD2-CD1 4.37Å; L160-A163 PolarHBondContact O-N 3.04Å; L160-I164 HydrophobicContact CD1-CD1 3.82Å; L160-I164 HydrophobicContact CD1-CG1 4.17Å; L160-I164 HydrophobicContact CG-CD1 3.81Å; L160-I164 WeakPolarHBondContact O-CD1 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 3.24Å
161N94.7Very high92.5Very high95 Ų9564.6 Ų64.651%0.50835%0.354SS..Hα-helixtrans-75.2-33.9-176.9-51.5-69.9000111.9D159 R165D159-N161 VanDerWaalsContact C-N 3.26Å; D159-N161 PolarHBondContact O-N 2.85Å; D159-N161 VanDerWaalsContact OD2-CB 3.26Å; D159-N161 WeakPolarHBondContact OD2-CB 3.36Å; D159-N161 PolarHBondContact OD2-N 3.12Å; D159-N161 PolarHBondContact OD2-ND2 3.23Å; N161-R165 VanDerWaalsContact O-CB 3.23Å; N161-R165 WeakPolarHBondContact O-CB 3.16Å; N161-R165 PolarHBondContact O-N 2.97Å
162G92.9Very high92.5Very high16 Ų1662.3 Ų62.317%0.16535%0.353CS..Hα-helixtrans-62.2-48.1169.900000111.7D159 I164 R165 E166D159-G162 PolarHBondContact O-N 3.37Å; D159-G162 WeakPolarHBondContact OD1-CA 3.25Å; D159-G162 PolarHBondContact OD1-N 2.87Å; G162-I164 PolarHBondContact O-N 3.16Å; G162-R165 PolarHBondContact O-N 3.17Å; G162-E166 PolarHBondContact O-N 2.81Å
163A94.8Very high92.4Very high0 Ų064.6 Ų64.60%037%0.372CS..Hα-helixtrans-58.9-48.8177.500000112.2R136 L139 L158 D159 L160 R165 A167R136-A163 HydrophobicContact CG-CB 4.21Å; L139-A163 HydrophobicContact CD2-CB 3.97Å; L158-A163 HydrophobicContact CD1-CB 4.2Å; L158-A163 HydrophobicContact CD2-CB 4Å; L158-A163 HydrophobicContact CG-CB 4.11Å; D159-A163 PolarHBondContact O-N 2.94Å; L160-A163 PolarHBondContact O-N 3.04Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.36Å; A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.13Å
164I95.7Very high92.3Very high30 Ų3061.3 Ų61.315%0.15436%0.358CS..Hα-helixtrans-60.4-42.4176.7-68.3167.1000111.2V115 L139 L160 G162 A167 I168V115-I164 HydrophobicContact CG1-CD1 3.88Å; V115-I164 HydrophobicContact CG1-CG1 4.32Å; V115-I164 HydrophobicContact CG2-CG1 4.09Å; L139-I164 HydrophobicContact CD2-CG1 3.74Å; L160-I164 HydrophobicContact CD1-CD1 3.82Å; L160-I164 HydrophobicContact CD1-CG1 4.17Å; L160-I164 HydrophobicContact CG-CD1 3.81Å; L160-I164 WeakPolarHBondContact O-CD1 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 3.24Å; G162-I164 PolarHBondContact O-N 3.16Å; I164-A167 PolarHBondContact O-N 3.37Å; I164-I168 HydrophobicContact CG2-CD1 3.66Å; I164-I168 HydrophobicContact CG2-CG1 4.42Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 3.46Å
165R94.9Very high92.1Very high175 Ų17560.2 Ų60.266%0.6635%0.346SS*.Hα-helixtrans-66.6-46.9-177.4-170.3-170.2-47.9159.111.6112.4N161 G162 A163 A167 A169N161-R165 VanDerWaalsContact O-CB 3.23Å; N161-R165 WeakPolarHBondContact O-CB 3.16Å; N161-R165 PolarHBondContact O-N 2.97Å; G162-R165 PolarHBondContact O-N 3.17Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.36Å; R165-A167 VanDerWaalsContact C-N 3.33Å; R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 2.97Å; R165-A169 PolarHBondContact O-N 2.93Å
166E93.7Very high92.3Very high69 Ų6963.1 Ų63.132%0.32235%0.353SS..Hα-helixtrans-65.1-39.3177-179.664.9-166.500110.7L148 R151 L152 G162 A169 A170L148-E166 HydrophobicContact CD1-CG 3.93Å; R151-E166 WeakPolarHBondContact CD-OE1 3.04Å; R151-E166 IonicContact CZ-OE1 3.21Å; R151-E166 IonicContact NE-OE1 3.47Å; R151-E166 IonicContact NH1-OE1 2.69Å; R151-E166 PolarHBondContact NH1-OE1 2.78Å; L152-E166 HydrophobicContact CD2-CB 3.93Å; L152-E166 HydrophobicContact CD2-CG 3.79Å; G162-E166 PolarHBondContact O-N 2.81Å; E166-A169 PolarHBondContact O-N 3.19Å; E166-A170 VanDerWaalsContact O-CB 3.32Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.4Å
167A94.7Very high92.6Very high0 Ų060.7 Ų60.70%033%0.333CS..Hα-helixtrans-65.1-44.5177.500000113V111 L143 L148 A163 I164 R165 A169 A170 E171V111-A167 HydrophobicContact CG1-CB 3.69Å; V111-A167 HydrophobicContact CG2-CB 4.05Å; L143-A167 HydrophobicContact CD2-CB 4.39Å; L148-A167 HydrophobicContact CD2-CB 3.88Å; A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.13Å; I164-A167 PolarHBondContact O-N 3.37Å; R165-A167 VanDerWaalsContact C-N 3.33Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 2.93Å; A167-A170 PolarHBondContact O-N 2.91Å; A167-E171 WeakPolarHBondContact O-CB 3.34Å; A167-E171 PolarHBondContact O-N 2.94Å
168I94Very high92.6Very high71 Ų7160.5 Ų60.536%0.36433%0.325SS..Hα-helixtrans-64.5-37.9173.7-68169.5000111.3V111 I164 S172V111-I168 HydrophobicContact CB-CG1 4.45Å; V111-I168 HydrophobicContact CG1-CG1 4.13Å; I164-I168 HydrophobicContact CG2-CD1 3.66Å; I164-I168 HydrophobicContact CG2-CG1 4.42Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 3.46Å; I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.49Å; I168-S172 PolarHBondContact O-OG 3.27Å
169A92.8Very high92.4Very high51 Ų5163 Ų6342%0.42134%0.339SS..Hα-helixtrans-66.1-41.8176.600000112R165 E166 A167 S172 A173R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 2.97Å; R165-A169 PolarHBondContact O-N 2.93Å; E166-A169 PolarHBondContact O-N 3.19Å; A167-A169 VanDerWaalsContact C-N 3.33Å; A167-A169 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-N 3.12Å; A169-A173 VanDerWaalsContact O-CB 3.3Å; A169-A173 WeakPolarHBondContact O-CB 2.97Å; A169-A173 PolarHBondContact O-N 3.35Å
170A93.2Very high92Very high8 Ų864.2 Ų64.27%0.06634%0.344CS..Hα-helixtrans-68.8-38.9177.200000112.8L148 E166 A167 A173 S174L148-A170 HydrophobicContact CD1-CB 3.74Å; L148-A170 HydrophobicContact CD2-CB 4.07Å; L148-A170 HydrophobicContact CG-CB 4.35Å; E166-A170 VanDerWaalsContact O-CB 3.32Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.4Å; A167-A170 PolarHBondContact O-N 2.91Å; A170-A173 PolarHBondContact O-N 2.92Å; A170-S174 VanDerWaalsContact O-CB 3.24Å; A170-S174 WeakPolarHBondContact O-CB 3.29Å; A170-S174 PolarHBondContact O-N 3.05Å; A170-S174 PolarHBondContact O-OG 2.9Å
171E92.6Very high91.4Very high75 Ų7568.1 Ų68.135%0.3537%0.371SS..Hα-helixtrans-59.7-49171.1179.8175.7-83.900111G110 V111 A167 A173 S174 S175G110-E171 WeakPolarHBondContact CA-OE1 3.32Å; V111-E171 HydrophobicContact CG2-CB 4.46Å; V111-E171 WeakPolarHBondContact CG2-OE1 3.48Å; V111-E171 PolarHBondContact N-OE1 3.19Å; A167-E171 WeakPolarHBondContact O-CB 3.34Å; A167-E171 PolarHBondContact O-N 2.94Å; E171-A173 PolarHBondContact O-N 3.32Å; E171-S174 PolarHBondContact O-N 2.64Å; E171-S175 PolarHBondContact O-N 2.98Å
172S91.6Very high90.8Very high50 Ų5067.5 Ų67.535%0.3538%0.375SS..Hα-helixtrans-60.2-47.4177.8-59.80000112I168 A169 S174 S175 Q176I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.49Å; I168-S172 PolarHBondContact O-OG 3.27Å; A169-S172 PolarHBondContact O-N 3.12Å; S172-S174 VanDerWaalsContact C-N 3.33Å; S172-S174 PolarHBondContact O-N 3.32Å; S172-S175 PolarHBondContact O-N 3.16Å; S172-Q176 VanDerWaalsContact O-CG 3.27Å; S172-Q176 WeakPolarHBondContact O-CG 3.46Å; S172-Q176 PolarHBondContact O-N 3.07Å
173A91.7Very high90Very high53 Ų5369.7 Ų69.744%0.43839%0.391SS..Hα-helixtrans-63.5-38.4177.700000111.9A169 A170 E171 Q176 A177A169-A173 VanDerWaalsContact O-CB 3.3Å; A169-A173 WeakPolarHBondContact O-CB 2.97Å; A169-A173 PolarHBondContact O-N 3.35Å; A170-A173 PolarHBondContact O-N 2.92Å; E171-A173 PolarHBondContact O-N 3.32Å; A173-Q176 PolarHBondContact O-N 3.4Å; A173-A177 VanDerWaalsContact O-CB 3.24Å; A173-A177 WeakPolarHBondContact O-CB 3.3Å; A173-A177 PolarHBondContact O-N 2.94Å
174S90.1Very high88.8Confident40 Ų4075.9 Ų75.928%0.2842%0.424SS..Hα-helixtrans-67.2-37177.2-65.30000112.6A170 E171 S172 R178A170-S174 VanDerWaalsContact O-CB 3.24Å; A170-S174 WeakPolarHBondContact O-CB 3.29Å; A170-S174 PolarHBondContact O-N 3.05Å; A170-S174 PolarHBondContact O-OG 2.9Å; E171-S174 PolarHBondContact O-N 2.64Å; S172-S174 VanDerWaalsContact C-N 3.33Å; S172-S174 PolarHBondContact O-N 3.32Å; S174-R178 VanDerWaalsContact O-CG 3.32Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 2.87Å
175S88.3Confident86.6Confident57 Ų5777.6 Ų77.640%0.39945%0.449SS..Hα-helixtrans-64.7-52.9171.7-163.70000110.8E171 S172 A177 R178 D179E171-S175 PolarHBondContact O-N 2.98Å; S172-S175 PolarHBondContact O-N 3.16Å; S175-A177 VanDerWaalsContact C-N 3.28Å; S175-A177 PolarHBondContact O-N 3.05Å; S175-R178 WeakPolarHBondContact O-CB 3.38Å; S175-R178 PolarHBondContact O-N 3.16Å; S175-D179 PolarHBondContact O-N 2.75Å
176Q92Very high84.1Confident119 Ų11973.7 Ų73.756%0.55645%0.449SS*.Hα-helixtrans-58.5-38.4-179.6-67.9167.420.200112.3S172 A173 D179 I180S172-Q176 VanDerWaalsContact O-CG 3.27Å; S172-Q176 WeakPolarHBondContact O-CG 3.46Å; S172-Q176 PolarHBondContact O-N 3.07Å; A173-Q176 PolarHBondContact O-N 3.4Å; Q176-D179 PolarHBondContact O-N 2.95Å; Q176-I180 WeakPolarHBondContact O-CD1 3.47Å; Q176-I180 VanDerWaalsContact O-CG1 3.26Å; Q176-I180 WeakPolarHBondContact O-CG1 3.39Å; Q176-I180 PolarHBondContact O-N 2.93Å
177A87.4Confident81.4Confident50 Ų5078.7 Ų78.741%0.41347%0.472SS..Hα-helixtrans-65.9-35.4175.900000113A173 S175 C181A173-A177 VanDerWaalsContact O-CB 3.24Å; A173-A177 WeakPolarHBondContact O-CB 3.3Å; A173-A177 PolarHBondContact O-N 2.94Å; S175-A177 VanDerWaalsContact C-N 3.28Å; S175-A177 PolarHBondContact O-N 3.05Å; A177-C181 WeakPolarHBondContact O-CB 3.3Å; A177-C181 PolarHBondContact O-N 2.9Å; A177-C181 PolarHBondContact O-SG 3.49Å
178R87.9Confident78.4Confident180 Ų18084.4 Ų84.468%0.67951%0.507SS*.Hα-helixtrans-66.6-43.8172.7-71.2168.5-175.2145.54.5110.9S174 S175 C181 S182S174-R178 VanDerWaalsContact O-CG 3.32Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 2.87Å; S175-R178 WeakPolarHBondContact O-CB 3.38Å; S175-R178 PolarHBondContact O-N 3.16Å; R178-C181 PolarHBondContact O-N 3.36Å; R178-S182 PolarHBondContact O-N 3.19Å
179D87.8Confident75.3Confident91 Ų9189.5 Ų89.549%0.48753%0.529SS..Hα-helixtrans-61.9-46.4179.1-60.8-32.9000111.2S175 Q176 C181 S182 A183S175-D179 PolarHBondContact O-N 2.75Å; Q176-D179 PolarHBondContact O-N 2.95Å; D179-C181 PolarHBondContact O-N 2.78Å; D179-S182 PolarHBondContact O-N 3.48Å; D179-S182 VanDerWaalsContact O-N 3.12Å; D179-S182 PolarHBondContact O-OG 2.97Å; D179-A183 PolarHBondContact O-N 3.48Å
180I86.9Confident72.3Confident105 Ų10593.4 Ų93.454%0.53855%0.548SS..Hα-helixtrans-60.5-43.5175.2-67.8163.1000111.7Q176 S182 A183 N184Q176-I180 WeakPolarHBondContact O-CD1 3.47Å; Q176-I180 VanDerWaalsContact O-CG1 3.26Å; Q176-I180 WeakPolarHBondContact O-CG1 3.39Å; Q176-I180 PolarHBondContact O-N 2.93Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 2.67Å; I180-A183 PolarHBondContact O-N 2.73Å; I180-N184 PolarHBondContact O-N 3.45Å; I180-N184 PolarHBondContact O-ND2 3.48Å
181C82.1Confident69.5Low95 Ų9597.6 Ų97.664%0.64258%0.583SS**Hα-helixtrans-61.1-37.6175.3-71.40000112A177 R178 D179 G185A177-C181 WeakPolarHBondContact O-CB 3.3Å; A177-C181 PolarHBondContact O-N 2.9Å; A177-C181 PolarHBondContact O-SG 3.49Å; R178-C181 PolarHBondContact O-N 3.36Å; D179-C181 PolarHBondContact O-N 2.78Å; C181-G185 PolarHBondContact O-N 3.07Å
182S81.3Confident66.4Low83 Ų83100 Ų10058%0.5860%0.602SS**Hα-helixtrans-69.8-41.8178.880.90000112.6R178 D179 I180 N184 G185R178-S182 PolarHBondContact O-N 3.19Å; D179-S182 PolarHBondContact O-N 3.48Å; D179-S182 VanDerWaalsContact O-N 3.12Å; D179-S182 PolarHBondContact O-OG 2.97Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 2.67Å; S182-N184 PolarHBondContact O-N 2.9Å; S182-G185 PolarHBondContact O-N 3.17Å; S182-G185 VanDerWaalsContact O-N 3.12Å
183A76.2Confident63.6Low61 Ų61102.3 Ų102.350%0.50462%0.624SS.*Hα-helixtrans-62.7-45.1179.500000112D179 I180 G185 S186D179-A183 PolarHBondContact O-N 3.48Å; I180-A183 PolarHBondContact O-N 2.73Å; A183-G185 PolarHBondContact O-N 3.3Å; A183-S186 PolarHBondContact O-N 3.01Å; A183-S186 PolarHBondContact O-OG 3.32Å
184N70.3Confident60.7Low130 Ų130108.1 Ų108.170%0.69564%0.642SS**THydrogen-bonded Turntrans-68-12.7177.1-70.7-23.9000113.7I180 S182 S186I180-N184 PolarHBondContact O-N 3.45Å; I180-N184 PolarHBondContact O-ND2 3.48Å; S182-N184 PolarHBondContact O-N 2.9Å; N184-S186 PolarHBondContact O-N 3.15Å
185G50Low57.9Low66 Ų66114.5 Ų114.568%0.6867%0.667SS**THydrogen-bonded Turntrans-74.9-1.4178.300000115.3C181 S182 A183C181-G185 PolarHBondContact O-N 3.07Å; S182-G185 PolarHBondContact O-N 3.17Å; S182-G185 VanDerWaalsContact O-N 3.12Å; A183-G185 PolarHBondContact O-N 3.3Å
186S42.2Very low55.1Low94 Ų94119 Ų11966%0.65769%0.685SS**  trans-109.540.7-171.765.30000115.3A183 N184A183-S186 PolarHBondContact O-N 3.01Å; A183-S186 PolarHBondContact O-OG 3.32Å; N184-S186 PolarHBondContact O-N 3.15Å
187H36.3Very low52.1Low173 Ų173123.8 Ų123.880%0.80170%0.699SS**  trans-116.4123.1160.9-91.7-72.6000111.9
188T31.1Very low49.5Very low121 Ų121130.9 Ų130.974%0.74272%0.72SS**  trans-45.9153.7167.244.70000112.4
189E30Very low46.5Very low178 Ų178125.7 Ų125.783%0.83272%0.723SS**  -150.9149.454.7-71.9178.4139.200116.2A191E189-A191 PolarHBondContact O-N 2.93Å; E189-A191 VanDerWaalsContact O-N 3.07Å
190T30Very low43.6Very low133 Ų133132.2 Ų132.282%0.81674%0.741SS**  trans-77.479.7174.3-18.40000111.5V192T190-V192 PolarHBondContact O-N 2.84Å
191A33.1Very low40.7Very low96 Ų96133.1 Ų133.179%0.79375%0.747SS**  trans-7385179.100000113.1E189 A193E189-A191 PolarHBondContact O-N 2.93Å; E189-A191 VanDerWaalsContact O-N 3.07Å; A191-A193 PolarHBondContact O-N 2.78Å
192V28.4Very low38Very low126 Ų126134.4 Ų134.476%0.76475%0.751SS**  trans-70.793.7168.7179.30000109.7T190T190-V192 PolarHBondContact O-N 2.84Å
193A33.6Very low35.4Very low98 Ų98141.7 Ų141.781%0.8177%0.766SS**  trans-98.2109.6172.300000110.7A191A191-A193 PolarHBondContact O-N 2.78Å
194Q30Very low33.7Very low175 Ų175144.6 Ų144.682%0.81878%0.78SS**  trans-69.9155.3-171.2-69.9164.8-56.400114.6I196Q194-I196 PolarHBondContact O-N 2.97Å; Q194-I196 VanDerWaalsContact O-N 3.13Å
195Q30.3Very low31.9Very low173 Ų173143.6 Ų143.681%0.80878%0.783SS**  trans-57.4107.8171-63.9172.5-20.700112R197Q195-R197 PolarHBondContact O-N 2.91Å; Q195-R197 VanDerWaalsContact O-N 3.07Å
196I31.1Very low30.7Very low151 Ų151148.9 Ų148.977%0.77479%0.787SS**  trans-76.597.4165.7-62.4-179000109Q194 K198Q194-I196 PolarHBondContact O-N 2.97Å; Q194-I196 VanDerWaalsContact O-N 3.13Å; I196-K198 HydrophobicContact CG2-CG 4.21Å; I196-K198 PolarHBondContact O-N 2.94Å
197R27.7Very low29.9Very low221 Ų221151.5 Ų151.583%0.83479%0.794SS**  trans-68.3116.8162.8-69.7177173.2175.7-3.2109.2Q195Q195-R197 PolarHBondContact O-N 2.91Å; Q195-R197 VanDerWaalsContact O-N 3.07Å
198K33.3Very low29.6Very low198 Ų198147.8 Ų147.886%0.86179%0.793SS**  trans-126.9105157.2-80.2-172.1177.8-178.90109.1I196I196-K198 HydrophobicContact CG2-CG 4.21Å; I196-K198 PolarHBondContact O-N 2.94Å
199G24.2Very low29.3Very low72 Ų72150.4 Ų150.474%0.74280%0.797SS**  trans-109.8151.4161.900000109.8
200R26.8Very low29.1Very low228 Ų228149.8 Ų149.886%0.8679%0.794SS**  trans178.5143.1131.7-109.8-175.3160.9167.2-5.3111.7
201N26.1Very low28.9Very low124 Ų124154 Ų15466%0.66379%0.794SS**  trans53.8117.5144.1-58.4-1.5000119.2
202V25.4Very low28.5Very low121 Ų121155.6 Ų155.673%0.73380%0.795SS**  7392.162.1176.50000113.4
203R27.4Very low28.5Very low236 Ų236155.5 Ų155.589%0.89179%0.794SS**  175.4160.4108.9-105.4155.7-167.5-133.92.7112.2
204P40.7Very low28.4Very low123 Ų123154.9 Ų154.980%0.79979%0.789SS**  trans-105.8147.3-169.638.3-31000114.9
205S32.1Very low28.6Very low108 Ų108151.2 Ų151.276%0.75579%0.789SS**  trans-138.7119.2150.5-165.40000104.7
206K24.2Very low28.9Very low178 Ų178151.7 Ų151.777%0.77479%0.789SS**  53.511977.1-77.1-161.4174.6-170.70113.3
207D26.8Very low29.5Very low149 Ų149149.9 Ų149.980%0.79779%0.785SS**  trans90.2145.6158.4-46.4-35.7000119.1
208A28.5Very low30.5Very low94 Ų94148.7 Ų148.778%0.77778%0.78SS**  trans60.999-172.300000116.2
209E24.7Very low32.2Very low177 Ų177145.5 Ų145.583%0.82777%0.772SS**  77.1140.376.7-84.2-154.7123.600116.7
210Q26.8Very low34.3Very low165 Ų165146 Ų14677%0.77176%0.763SS**  trans79.997.2165.4-63.8175.627.800120.3
211R25.5Very low36.4Very low220 Ų220135.5 Ų135.583%0.8372%0.724SS**  trans63.398.4131.4-79.3179.5161.7150.5-4.2120.1
212T25Very low38.5Very low131 Ų131133.6 Ų133.680%0.80473%0.725SS**  35.399.1119.259.50000118.1
213V29.1Very low40.1Very low124 Ų124129.4 Ų129.475%0.75271%0.707SS**  trans-128.1127.6146.6-172.80000107.9F216V213-F216 HydrophobicContact CG1-CE2 4.19Å
214A31.7Very low42.4Very low85 Ų85121.7 Ų121.770%0.70269%0.688SS**  trans-64.4146.3-176.500000111.6F216A214-F216 PolarHBondContact O-N 2.96Å
215A32.8Very low43.7Very low98 Ų98118.3 Ų118.381%0.8168%0.676SS**  trans-58.9113.2174.300000110.1T217A215-T217 PolarHBondContact O-N 3.06Å
216F38.2Very low45.7Very low183 Ų183114.4 Ų114.480%0.80365%0.653SS**  trans-63.4108.2175.8-86.4-95.3000109.9V213 A214 R218V213-F216 HydrophobicContact CG1-CE2 4.19Å; A214-F216 PolarHBondContact O-N 2.96Å; F216-R218 PolarHBondContact O-N 3.44Å
217T41.8Very low48.2Very low113 Ų113111.2 Ų111.269%0.69364%0.644SS**  trans-57.1119.4162.149.40000108.2A215 N219A215-T217 PolarHBondContact O-N 3.06Å; T217-N219 PolarHBondContact O-N 3.23Å
218R50.1Low50.6Low196 Ų196106.7 Ų106.774%0.7462%0.618SS**  trans-68.792.4-179.5-65.7-172-172.2-179.83.4110.2F216 D227F216-R218 PolarHBondContact O-N 3.44Å; R218-D227 WeakPolarHBondContact CD-OD1 3.43Å; R218-D227 IonicContact CZ-OD2 2.7Å; R218-D227 IonicContact NH1-OD1 2.62Å; R218-D227 IonicContact NH1-OD2 3.12Å; R218-D227 PolarHBondContact NH1-OD2 2.86Å
219N68.7Low52.8Low130 Ų130105.8 Ų105.870%0.69560%0.604SS**  trans-74131.5165.3-72.20.4000108.5T217T217-N219 PolarHBondContact O-N 3.23Å
220P69.1Low54.9Low84 Ų84104.3 Ų104.355%0.54559%0.591SS.*  trans-60151.6176.622.8-32000111.9A222 G225P220-A222 PolarHBondContact O-N 2.86Å; P220-G225 WeakPolarHBondContact CB-O 3.49Å
221C69.8Low56.9Low6 Ų6101.3 Ų101.34%0.04159%0.588CS.*  trans-56.4112.8-175.2179.10000111.8G223 C224 G225 G226 H228C221-G223 PolarHBondContact O-N 3.12Å; C221-C224 PolarHBondContact O-N 2.89Å; C221-G225 PolarHBondContact O-N 3.12Å; C221-G226 WeakPolarHBondContact CB-O 3.33Å; C221-G226 PolarHBondContact N-O 3.36Å; C221-H228 PolarHBondContact SG-NE2 2.92Å; C221-H228 VanDerWaalsContact SG-NE2 3.37Å
222A69.5Low59.1Low84 Ų8497.4 Ų97.469%0.69458%0.579SS**THydrogen-bonded Turntrans-65.611.2-176.400000115.9P220 R230P220-A222 PolarHBondContact O-N 2.86Å; A222-R230 VanDerWaalsContact C-NH1 3.28Å; A222-R230 PolarHBondContact O-NH1 2.87Å
223G59.5Low61.3Low34 Ų3491.7 Ų91.735%0.35155%0.545SS..THydrogen-bonded Turntrans-116.1-14.1170.200000114.9C221C221-G223 PolarHBondContact O-N 3.12Å
224C75.2Confident63.1Low73 Ų7395.4 Ų95.449%0.49355%0.551SS.*THydrogen-bonded Turntrans-160.37.5-178.456.90000115.7C221 G226 H228 S233C221-C224 PolarHBondContact O-N 2.89Å; C224-G226 VanDerWaalsContact C-N 3.27Å; C224-G226 PolarHBondContact O-N 2.78Å; C224-H228 PolarHBondContact SG-CE1 3.1Å; C224-S233 PolarHBondContact SG-OG 2.82Å
225G69.9Low64.3Low53 Ų5395.4 Ų95.455%0.54655%0.546SS..  trans76.4-9.117600000117P220 C221P220-G225 WeakPolarHBondContact CB-O 3.49Å; C221-G225 PolarHBondContact O-N 3.12Å
226G73.9Confident64.9Low26 Ų2696.3 Ų96.327%0.26854%0.536SS..  trans-74.8159.1-176.700000115.4C221 C224 H228C221-G226 WeakPolarHBondContact CB-O 3.33Å; C221-G226 PolarHBondContact N-O 3.36Å; C224-G226 VanDerWaalsContact C-N 3.27Å; C224-G226 PolarHBondContact O-N 2.78Å; G226-H228 VanDerWaalsContact C-N 3.31Å; G226-H228 PolarHBondContact O-N 2.94Å
227D76.1Confident64.9Low110 Ų11098 Ų9859%0.58854%0.537SS*.SBendtrans-80.171.3176.6-168.219.9000111.9R218R218-D227 WeakPolarHBondContact CD-OD1 3.43Å; R218-D227 IonicContact CZ-OD2 2.7Å; R218-D227 IonicContact NH1-OD1 2.62Å; R218-D227 IonicContact NH1-OD2 3.12Å; R218-D227 PolarHBondContact NH1-OD2 2.86Å
228H77.2Confident64.5Low54 Ų5497.7 Ų97.725%0.2554%0.54CS..SBendtrans-150.7155.8173.457.6-80.7000111C221 C224 G226 S233C221-H228 PolarHBondContact SG-NE2 2.92Å; C221-H228 VanDerWaalsContact SG-NE2 3.37Å; C224-H228 PolarHBondContact SG-CE1 3.1Å; G226-H228 VanDerWaalsContact C-N 3.31Å; G226-H228 PolarHBondContact O-N 2.94Å; H228-S233 WeakPolarHBondContact NE2-CA 3.34Å; H228-S233 WeakPolarHBondContact NE2-CB 3.32Å
229P74.9Confident63.5Low75 Ų7597.5 Ų97.549%0.48754%0.544SS..  trans-61140.5170.4-15.728.5000110.4S231 Q232P229-S231 PolarHBondContact O-N 2.89Å; P229-Q232 PolarHBondContact O-N 3.45Å
230R67.6Low61.5Low147 Ų14797.1 Ų97.156%0.55555%0.549SS*.G310 helixtrans-54.8-27.4-177.6-174.4172.4180133.65.9114A222 Q232 S233A222-R230 VanDerWaalsContact C-NH1 3.28Å; A222-R230 PolarHBondContact O-NH1 2.87Å; R230-Q232 PolarHBondContact O-N 3.06Å; R230-S233 WeakPolarHBondContact O-CB 3.47Å; R230-S233 PolarHBondContact O-N 2.75Å
231S70.4Confident59.6Low101 Ų101100 Ų10071%0.70657%0.565SS**G310 helixtrans-62.3-20.4174.751.20000114.6P229P229-S231 PolarHBondContact O-N 2.89Å
232Q70.5Confident57.7Low138 Ų138104.5 Ų104.565%0.64560%0.596SS**G310 helixtrans-99.97.7178.4-62.9-178.6-7.800112.9P229 R230 K234P229-Q232 PolarHBondContact O-N 3.45Å; R230-Q232 PolarHBondContact O-N 3.06Å; Q232-K234 PolarHBondContact O-N 3.19Å
233S71Confident55.6Low11 Ų11106.4 Ų106.48%0.07760%0.604CS.*  trans-75.9119.2-176-166.40000112.2C224 H228 R230 S235 I236C224-S233 PolarHBondContact SG-OG 2.82Å; H228-S233 WeakPolarHBondContact NE2-CA 3.34Å; H228-S233 WeakPolarHBondContact NE2-CB 3.32Å; R230-S233 WeakPolarHBondContact O-CB 3.47Å; R230-S233 PolarHBondContact O-N 2.75Å; S233-S235 PolarHBondContact O-N 3.15Å; S233-I236 PolarHBondContact O-N 2.98Å; S233-I236 VanDerWaalsContact O-N 3.08Å
234K66.6Low54.1Low202 Ų202110 Ų11088%0.87863%0.631SS**THydrogen-bonded Turntrans-61.3-9.3173.3-64.5-174.9179.5-179.50114.1Q232 I236Q232-K234 PolarHBondContact O-N 3.19Å; K234-I236 PolarHBondContact O-N 2.89Å
235S56.8Low51.7Low86 Ų86117.8 Ų117.860%0.60165%0.65SS**THydrogen-bonded Turntrans-72.3-14.8173.4-164.80000112.9S233 R237S233-S235 PolarHBondContact O-N 3.15Å; S235-R237 PolarHBondContact O-N 3.23Å
236I45.7Very low49.7Very low117 Ų117124.3 Ų124.360%0.666%0.663SS**  trans-77.368.2169.7-49.8177.2000109.1S233 K234 S238S233-I236 PolarHBondContact O-N 2.98Å; S233-I236 VanDerWaalsContact O-N 3.08Å; K234-I236 PolarHBondContact O-N 2.89Å; I236-S238 PolarHBondContact O-N 3.42Å
237R38.5Very low47.5Very low218 Ų218130.2 Ų130.282%0.82369%0.689SS**  trans-78110.3161.4-79.9-169.7174.7-169.4-0.8108.2S235 F239S235-R237 PolarHBondContact O-N 3.23Å; R237-F239 PolarHBondContact O-N 3.03Å
238S32.7Very low45.1Very low107 Ų107129 Ų12975%0.74869%0.693SS**  trans-57.7114.5177.249.70000112.1I236I236-S238 PolarHBondContact O-N 3.42Å
239F28.9Very low42.7Very low192 Ų192132.6 Ų132.684%0.84272%0.719SS**  trans-95.2118.9154.5-76.1-81.4000108.3R237 V241R237-F239 PolarHBondContact O-N 3.03Å; F239-V241 PolarHBondContact O-N 3Å
240P28.5Very low40.4Very low122 Ų122136.8 Ų136.879%0.79274%0.738SS**  trans-81.3120-177.931.3-31.8000110.1
241V29.2Very low38.6Very low144 Ų144139.6 Ų139.687%0.87375%0.754SS**  trans-116.9121.6157.8-177.80000108F239F239-V241 PolarHBondContact O-N 3Å
242S28.1Very low36.3Very low101 Ų101144.2 Ų144.271%0.70676%0.761SS**  trans-69.4135.6-172.548.90000113.7
243S25.8Very low34.2Very low123 Ų123144.1 Ų144.186%0.8677%0.77SS**  trans52.882.7134.2-55.70000119.1
244A28.9Very low32Very low109 Ų109148.9 Ų148.990%0.90180%0.803SS**  trans-128.993151.700000110.4
245R24.1Very low30.1Very low237 Ų237143.4 Ų143.489%0.89480%0.796SS**  trans-84.7122.3-178.5-156.5-176.1-168.5-176.23109
246K28.7Very low28.7Very low190 Ų190146.4 Ų146.483%0.82681%0.805SS**  trans164.1116.8136-89.7160-174.2-178.60114.2
247N26.3Very low27.8Very low151 Ų151146.7 Ų146.781%0.80781%0.812SS**  42.3112.6127.2-64.69.8000121.5
248A27.2Very low27.4Very low83 Ų83145.3 Ų145.369%0.68681%0.813SS**  96143.9109.400000121.8
249T26.8Very low27Very low130 Ų130150.3 Ų150.380%0.79882%0.815SS**  trans68.499.6155.645.10000120
250N26Very low26.9Very low163 Ų163149.5 Ų149.587%0.87281%0.814SS**  13.5110.8123.4-76.5-20.2000116.9
251K29.7Very low26.6Very low207 Ų207150.9 Ų150.990%0.981%0.814SS**  trans-147.2124.3139-113.2169.4-173.9176.70110.8
252K23Very low26.6Very low197 Ų197149.8 Ų149.886%0.85781%0.807SS**  trans-64.4144.5155.5-60.7171.2178.1176.40107.4
253V25.5Very low26.5Very low137 Ų137150.2 Ų150.283%0.8381%0.81SS**  trans172.8134133.8148.20000110.3
254S24.6Very low26.7Very low110 Ų110151.3 Ų151.377%0.76981%0.807SS**  trans56.4143.9157.4-159.70000121.4
255A26.8Very low26.6Very low88 Ų88150.7 Ų150.773%0.72780%0.796SS**  trans-52.1142.5164.100000111.9
256N28Very low27.1Very low149 Ų149144.4 Ų144.480%0.79779%0.786SS**  trans-136120.8152.4-137.415.1000110.2F258N256-F258 PolarHBondContact O-N 3.48Å
257T27.6Very low27Very low122 Ų122141.4 Ų141.475%0.74878%0.783SS**  trans-58.7115.2176.7-51.50000110.7
258F29.3Very low27.2Very low189 Ų189140.1 Ų140.183%0.82978%0.777SS**  trans-90111.7163.1-103.5-91.5000109.7N256N256-F258 PolarHBondContact O-N 3.48Å
259R23.2Very low27.2Very low213 Ų213140.5 Ų140.580%0.80478%0.78SS**  trans-74.7136.8167.7-68.3173.6165.7127.7-6.9108.6
260H27.4Very low27.2Very low175 Ų175145 Ų14581%0.8178%0.784SS**  trans-139.2113.7146.9-108-85.8000108.5
261N23.4Very low27Very low151 Ų151146 Ų14681%0.80778%0.783SS**  trans-86.1122.1162.1-64.2-16.9000106.8
262V29Very low26.9Very low120 Ų120144.1 Ų144.173%0.72778%0.778SS**  trans-148.2136.9139-1790000106.5
263S25.8Very low27Very low110 Ų110138 Ų13877%0.76977%0.77SS**  trans-81.9113.2167.550.50000109.8
264D29.8Very low27Very low146 Ų146136.1 Ų136.178%0.78176%0.763SS**  trans-144.6138.7154.8-90.2-46.4000108
265S27.4Very low27.3Very low96 Ų96138.1 Ų138.167%0.67176%0.764SS**  trans-64.8130.8179.150.20000109.8T267S265-T267 PolarHBondContact O-N 3.49Å
266P33.2Very low27.4Very low105 Ų105140.6 Ų140.668%0.68276%0.764SS**  trans-66.392.4162.3-11.126.9000107.7D268P266-D268 PolarHBondContact O-N 2.82Å
267T27.7Very low27.3Very low127 Ų127142.9 Ų142.978%0.77977%0.767SS**  trans-65.584.9146.1-51.90000104.3S265 A269S265-T267 PolarHBondContact O-N 3.49Å; T267-A269 VanDerWaalsContact C-N 3.27Å; T267-A269 PolarHBondContact O-N 3.32Å
268D30Very low27.3Very low125 Ų125141 Ų14167%0.66876%0.755SS**  trans-58.898.8175.1-83.8-30.7000106.4P266 Y270P266-D268 PolarHBondContact O-N 2.82Å; D268-Y270 WeakPolarHBondContact O-CD2 3.21Å; D268-Y270 PolarHBondContact O-N 3.02Å
269A27.1Very low27.4Very low91 Ų91138.6 Ų138.675%0.75276%0.756SS**  trans-57.3110.1170.400000105.6T267 Q271T267-A269 VanDerWaalsContact C-N 3.27Å; T267-A269 PolarHBondContact O-N 3.32Å; A269-Q271 PolarHBondContact O-N 3.43Å
270Y26.3Very low27.8Very low223 Ų223132.2 Ų132.288%0.87574%0.744SS**  trans-62.291.3172-74.6-92.8000106.5D268 E272D268-Y270 WeakPolarHBondContact O-CD2 3.21Å; D268-Y270 PolarHBondContact O-N 3.02Å; Y270-E272 PolarHBondContact O-N 2.96Å
271Q23.2Very low28.3Very low184 Ų184130.3 Ų130.386%0.8674%0.74SS**  trans-6892.6169.3-174.2172.69.700105.4A269 G273A269-Q271 PolarHBondContact O-N 3.43Å; Q271-G273 PolarHBondContact O-N 3.16Å
272E27.2Very low28.8Very low169 Ų169133.2 Ų133.279%0.7974%0.74SS**  trans-55.9110.4-179-169.1159.2-148.500107.6Y270 S274Y270-E272 PolarHBondContact O-N 2.96Å; E272-S274 PolarHBondContact O-N 2.95Å
273G24.6Very low29.3Very low68 Ų68132.5 Ų132.570%0.70173%0.729SS**  trans-72.578.9-17700000108.2Q271 I275Q271-G273 PolarHBondContact O-N 3.16Å; G273-I275 PolarHBondContact O-N 3.33Å
274S24.9Very low30.3Very low98 Ų98134 Ų13469%0.68572%0.721SS**  trans-39.7112.6176.524.20000108.7E272 L276E272-S274 PolarHBondContact O-N 2.95Å; S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 3.26Å
275I31.9Very low31.4Very low152 Ų152132.8 Ų132.878%0.77971%0.709SS**  trans-61.6103.8177.3-66.5175.8000105.2G273 F277G273-I275 PolarHBondContact O-N 3.33Å; I275-F277 PolarHBondContact O-N 3.4Å
276L27.7Very low33.4Very low140 Ų140132.6 Ų132.673%0.73370%0.704SS**  trans-49.6124-175.1-90.988.7000109S274 V278S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 3.26Å; L276-V278 HydrophobicContact CB-CG2 4.18Å; L276-V278 PolarHBondContact O-N 3.3Å
277F26.5Very low35.4Very low197 Ų197129.4 Ų129.486%0.86468%0.684SS**  trans-59.480.8161.8-88.8-91.7000109I275 T279I275-F277 PolarHBondContact O-N 3.4Å; F277-T279 VanDerWaalsContact C-N 3.32Å; F277-T279 PolarHBondContact O-N 3.15Å; F277-T279 VanDerWaalsContact O-N 3.12Å
278V26.7Very low38.2Very low82 Ų82124.9 Ų124.950%0.49766%0.656SS.*  trans-80.391.3165.1-179.60000106.4L276 S280L276-V278 HydrophobicContact CB-CG2 4.18Å; L276-V278 PolarHBondContact O-N 3.3Å; V278-S280 PolarHBondContact O-N 2.92Å
279T32.2Very low41Very low138 Ų138122.7 Ų122.785%0.84765%0.647SS**  trans-64.669.4166.2440000110.7F277F277-T279 VanDerWaalsContact C-N 3.32Å; F277-T279 PolarHBondContact O-N 3.15Å; F277-T279 VanDerWaalsContact O-N 3.12Å
280S32.1Very low44.1Very low79 Ų79119.3 Ų119.355%0.55262%0.617SS**SBendtrans-152.8132.8160.3750000110.8V278 R282V278-S280 PolarHBondContact O-N 2.92Å; S280-R282 PolarHBondContact O-N 3.07Å
281N38.4Very low47.2Very low136 Ų136112 Ų11273%0.72759%0.593SS**SBendtrans-42.5134.1171.3-95.6-52.6000112.1
282R34.2Very low50.4Low212 Ų212103.3 Ų103.380%0.855%0.552SS**  trans9757179.3-51.7157.1179.9-171.50.8116.5S280 K284S280-R282 PolarHBondContact O-N 3.07Å; R282-K284 VanDerWaalsContact C-N 3.33Å; R282-K284 PolarHBondContact O-N 3.01Å
283Q39.2Very low53.4Low104 Ų10497.9 Ų97.949%0.48653%0.529SS..  trans-6290.6156.2-80.2-72.8-2.700110.3Q426Q283-Q426 WeakPolarHBondContact O-CG 3.47Å; Q283-Q426 PolarHBondContact O-NE2 2.83Å; Q283-Q426 PolarHBondContact O-OE1 3.34Å
284K45.5Very low56.4Low142 Ų142101.8 Ų101.862%0.61753%0.534SS*.  trans-68.3152.3169.7-70.5175.8179.8172.10109.2R282 T286R282-K284 VanDerWaalsContact C-N 3.33Å; R282-K284 PolarHBondContact O-N 3.01Å; K284-T286 PolarHBondContact O-N 2.9Å; K284-T286 VanDerWaalsContact O-N 3.14Å
285K52.8Low59.5Low121 Ų12199.3 Ų99.353%0.52651%0.514SS..SBendtrans-44.6122.8168.2-88.6164.7156.1-97.60108.1S287 E300K285-S287 PolarHBondContact O-N 3Å; K285-S287 PolarHBondContact O-OG 3.38Å; K285-E300 HydrophobicContact CB-CG 4.34Å; K285-E300 WeakPolarHBondContact CD-OE1 3.25Å; K285-E300 WeakPolarHBondContact CE-OE1 3.24Å; K285-E300 WeakPolarHBondContact CG-OE1 3.23Å; K285-E300 IonicContact NZ-OE1 3.94Å; K285-E300 PolarHBondContact NZ-OE1 2.94Å; K285-E300 IonicContact NZ-OE2 3.07Å; K285-E300 PolarHBondContact NZ-OE2 3.41Å; K285-E300 VanDerWaalsContact NZ-OE2 3.15Å
286T69.8Low62.3Low92 Ų9296.2 Ų96.256%0.56450%0.504SS*.  trans-55.1107.8-170.8-53.40000108.7K284 I301K284-T286 PolarHBondContact O-N 2.9Å; K284-T286 VanDerWaalsContact O-N 3.14Å; T286-I301 HydrophobicContact CG2-CD1 3.99Å; T286-I301 HydrophobicContact CG2-CG1 4.48Å; T286-I301 PolarHBondContact O-N 3.44Å
287S76Confident65.2Low37 Ų3790.4 Ų90.426%0.25948%0.475SS..EExtended strand (participates in β ladder)trans-122.1131.9-175.8-43.50000108.4K285 R298 M299K285-S287 PolarHBondContact O-N 3Å; K285-S287 PolarHBondContact O-OG 3.38Å; S287-R298 VanDerWaalsContact OG-CZ 3.27Å; S287-R298 PolarHBondContact OG-NH1 2.95Å; S287-R298 PolarHBondContact OG-NH2 2.88Å; S287-M299 CarbonylContact C-O 3.53Å; S287-M299 WeakPolarHBondContact CA-O 3.36Å; S287-M299 VanDerWaalsContact CB-O 3.29Å; S287-M299 WeakPolarHBondContact CB-O 3.25Å
288T85.5Confident68.1Low33 Ų3388.4 Ų88.420%0.20246%0.461CS..EExtended strand (participates in β ladder)trans-119.1162.9176.1-1640000110.8V290 R298 M299 I301 Y353T288-V290 HydrophobicContact CG2-CG2 4.26Å; T288-R298 WeakPolarHBondContact O-CA 3.27Å; T288-M299 PolarHBondContact N-O 3.43Å; T288-M299 PolarHBondContact O-N 2.96Å; T288-I301 HydrophobicContact CG2-CD1 3.89Å; T288-I301 HydrophobicContact CG2-CG1 3.98Å; T288-Y353 HydrophobicContact CG2-CE2 4.23Å; T288-Y353 WeakPolarHBondContact OG1-CE2 3.38Å; T288-Y353 PolarHBondContact OG1-OH 3.1Å
289T89.4Confident70.9Confident78 Ų7886.3 Ų86.348%0.47945%0.446SS..EExtended strand (participates in β ladder)trans-101.6111.6174.3-58.60000108.3P296 C297T289-P296 HydrophobicContact CG2-CB 3.74Å; T289-C297 WeakPolarHBondContact CA-O 3.27Å
290V91Very high73.2Confident20 Ų2084.1 Ų84.112%0.12143%0.427CS..EExtended strand (participates in β ladder)trans-101.8139.8176.5-129.60000108.6T288 C297 M299 V351 Y353T288-V290 HydrophobicContact CG2-CG2 4.26Å; V290-C297 PolarHBondContact N-O 3.13Å; V290-C297 PolarHBondContact O-N 3.28Å; V290-M299 HydrophobicContact CG2-CB 3.91Å; V290-M299 HydrophobicContact CG2-CG 3.77Å; V290-M299 HydrophobicContact CG2-SD 3.72Å; V290-V351 HydrophobicContact CB-CG1 4.36Å; V290-V351 HydrophobicContact CG1-CG1 3.51Å; V290-Y353 HydrophobicContact CG1-CD2 4.38Å; V290-Y353 HydrophobicContact CG1-CG 4.46Å
291I91.9Very high75.5Confident70 Ų7084.9 Ų84.936%0.35942%0.424SS..EExtended strand (participates in β ladder)trans-90.2114.3177-61.4170.5000107.8V351 S352I291-V351 CarbonylContact O-C 3.46Å; I291-V351 WeakPolarHBondContact O-CA 3.45Å; I291-S352 WeakPolarHBondContact CB-OG 3.5Å; I291-S352 PolarHBondContact N-O 3.5Å; I291-S352 PolarHBondContact O-N 3.42Å
292I91.5Very high77.3Confident1 Ų183.1 Ų83.11%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-112.7117.4-178.7-52.1-179.8000108.8N294 V295 C297 M299 W319 I349I292-N294 PolarHBondContact O-N 3.37Å; I292-V295 PolarHBondContact N-O 3.08Å; I292-V295 WeakPolarHBondContact O-CB 3.27Å; I292-V295 PolarHBondContact O-N 2.79Å; I292-C297 HydrophobicContact CD1-CB 3.62Å; I292-C297 HydrophobicContact CG1-CB 4.01Å; I292-M299 HydrophobicContact CD1-SD 3.81Å; I292-W319 HydrophobicContact CG2-CH2 3.82Å; I292-W319 HydrophobicContact CG2-CZ2 3.81Å; I292-I349 HydrophobicContact CD1-CD1 4.32Å; I292-I349 HydrophobicContact CG2-CB 3.72Å; I292-I349 HydrophobicContact CG2-CD1 3.58Å; I292-I349 HydrophobicContact CG2-CG1 4.22Å; I292-I349 HydrophobicContact CG2-CG2 3.82Å
293N90.1Very high79Confident55 Ų5579.3 Ų79.329%0.29442%0.42SS..THydrogen-bonded Turntrans46.347.7-173.8-67.412.3000112.3V295 W319 P324 D350N293-V295 PolarHBondContact O-N 3.21Å; N293-W319 HydrophobicContact CB-CZ2 4.26Å; N293-P324 WeakPolarHBondContact ND2-CG 3.46Å; N293-D350 PolarHBondContact N-O 2.87Å; N293-D350 PolarHBondContact OD1-N 2.67Å; N293-D350 PolarHBondContact OD1-O 2.99Å
294N86.7Confident80.4Confident151 Ų15177.7 Ų77.781%0.80743%0.432SS*.THydrogen-bonded Turntrans65.26.4-175.1-53.4-39.9000116.3I292I292-N294 PolarHBondContact O-N 3.37Å
295V90Very high81.8Confident46 Ų4673.6 Ų73.628%0.27942%0.421SS..EExtended strand (participates in β ladder)trans-103.5125.4175.3-167.80000110.4I292 N293 C297 L318I292-V295 PolarHBondContact N-O 3.08Å; I292-V295 WeakPolarHBondContact O-CB 3.27Å; I292-V295 PolarHBondContact O-N 2.79Å; N293-V295 PolarHBondContact O-N 3.21Å; V295-C297 PolarHBondContact O-N 3.27Å; V295-L318 HydrophobicContact CB-CD1 4.16Å; V295-L318 HydrophobicContact CB-CG 4.32Å; V295-L318 HydrophobicContact CG1-CD1 3.45Å; V295-L318 VanDerWaalsContact CG1-CD1 3.45Å; V295-L318 HydrophobicContact CG1-CG 3.97Å
296P91.1Very high83Confident87 Ų8775.1 Ų75.157%0.56543%0.434SS*.EExtended strand (participates in β ladder)trans-69.6120.8176.227.8-33.3000111T289T289-P296 HydrophobicContact CG2-CB 3.74Å
297C88.8Confident83.7Confident17 Ų1774.3 Ų74.312%0.11542%0.423CS..EExtended strand (participates in β ladder)trans-118.1122.8178.1-173.30000109.9T289 V290 I292 V295 M299 L318T289-C297 WeakPolarHBondContact CA-O 3.27Å; V290-C297 PolarHBondContact N-O 3.13Å; V290-C297 PolarHBondContact O-N 3.28Å; I292-C297 HydrophobicContact CD1-CB 3.62Å; I292-C297 HydrophobicContact CG1-CB 4.01Å; V295-C297 PolarHBondContact O-N 3.27Å; C297-M299 PolarHBondContact O-N 3.23Å; C297-L318 HydrophobicContact CB-CD1 4.03Å; C297-L318 HydrophobicContact CB-CD2 4.09Å
298R86.6Confident84.3Confident156 Ų15675 Ų7559%0.58943%0.426SS*.EExtended strand (participates in β ladder)trans-80.2111.7174.4-172.2-178.5-177.5-74.6-3.9109S287 T288S287-R298 VanDerWaalsContact OG-CZ 3.27Å; S287-R298 PolarHBondContact OG-NH1 2.95Å; S287-R298 PolarHBondContact OG-NH2 2.88Å; T288-R298 WeakPolarHBondContact O-CA 3.27Å
299M85.7Confident84.5Confident37 Ų3776.2 Ų76.218%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-112.9153.4-178.7-61.8-16770.200111S287 T288 V290 I292 C297 T308S287-M299 CarbonylContact C-O 3.53Å; S287-M299 WeakPolarHBondContact CA-O 3.36Å; S287-M299 VanDerWaalsContact CB-O 3.29Å; S287-M299 WeakPolarHBondContact CB-O 3.25Å; T288-M299 PolarHBondContact N-O 3.43Å; T288-M299 PolarHBondContact O-N 2.96Å; V290-M299 HydrophobicContact CG2-CB 3.91Å; V290-M299 HydrophobicContact CG2-CG 3.77Å; V290-M299 HydrophobicContact CG2-SD 3.72Å; I292-M299 HydrophobicContact CD1-SD 3.81Å; C297-M299 PolarHBondContact O-N 3.23Å; M299-T308 HydrophobicContact CE-CG2 3.54Å; M299-T308 HydrophobicContact SD-CG2 4.48Å
300E81.1Confident84.5Confident92 Ų9273 Ų7343%0.4341%0.413SS..EExtended strand (participates in β ladder)trans-82.3140166.4-174.8169.517300109.1K285K285-E300 HydrophobicContact CB-CG 4.34Å; K285-E300 WeakPolarHBondContact CD-OE1 3.25Å; K285-E300 WeakPolarHBondContact CE-OE1 3.24Å; K285-E300 WeakPolarHBondContact CG-OE1 3.23Å; K285-E300 IonicContact NZ-OE1 3.94Å; K285-E300 PolarHBondContact NZ-OE1 2.94Å; K285-E300 IonicContact NZ-OE2 3.07Å; K285-E300 PolarHBondContact NZ-OE2 3.41Å; K285-E300 VanDerWaalsContact NZ-OE2 3.15Å
301I80.7Confident84.2Confident96 Ų9673.6 Ų73.649%0.49242%0.418SS..  trans-91.3116.7169.9-54.6-176000106.9T286 T288T286-I301 HydrophobicContact CG2-CD1 3.99Å; T286-I301 HydrophobicContact CG2-CG1 4.48Å; T286-I301 PolarHBondContact O-N 3.44Å; T288-I301 HydrophobicContact CG2-CD1 3.89Å; T288-I301 HydrophobicContact CG2-CG1 3.98Å
302D76Confident83.9Confident99 Ų9973.6 Ų73.653%0.52942%0.416SS..  trans-128.8110.8179.6-178.11.4000108.4G304D302-G304 VanDerWaalsContact C-N 3.26Å; D302-G304 WeakPolarHBondContact OD1-CA 3.37Å; D302-G304 PolarHBondContact OD1-N 3Å
303S70.5Confident83.4Confident131 Ų13178.8 Ų78.892%0.91644%0.44SS*.THydrogen-bonded Turntrans-78.3-10.6176.953.20000113.1S305S303-S305 VanDerWaalsContact C-N 3.3Å
304G67.2Low83.2Confident71 Ų7180.7 Ų80.773%0.73245%0.45SS*.THydrogen-bonded Turntrans-86.98.7175.500000114.1D302D302-G304 VanDerWaalsContact C-N 3.26Å; D302-G304 WeakPolarHBondContact OD1-CA 3.37Å; D302-G304 PolarHBondContact OD1-N 3Å
305S76.4Confident83.3Confident55 Ų5574.3 Ų74.339%0.38542%0.415SS..  trans-125117.4-177.4-156.60000113.1S303 F307S303-S305 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 3.02Å; S305-F307 VanDerWaalsContact O-N 3.16Å; S305-F307 PolarHBondContact OG-O 2.94Å
306D76.1Confident83.2Confident153 Ų15379.8 Ų79.882%0.81843%0.43SS*.SBendtrans-66.7-9.9173.5-57.4-54.7000113.6
307F85.7Confident82.9Confident75 Ų7579.6 Ų79.633%0.32943%0.431SS..SBendtrans-133.9132.9-166.1-58.8-79.1000113.1S305 V309 L333 Y363S305-F307 PolarHBondContact O-N 3.02Å; S305-F307 VanDerWaalsContact O-N 3.16Å; S305-F307 PolarHBondContact OG-O 2.94Å; F307-V309 HydrophobicContact CB-CG2 4.27Å; F307-V309 PolarHBondContact O-N 3.04Å; F307-L333 HydrophobicContact CB-CD1 4.39Å; F307-L333 HydrophobicContact CB-CD2 4.22Å; F307-L333 HydrophobicContact CD1-CD2 4.02Å; F307-L333 HydrophobicContact CD2-CD2 3.18Å; F307-L333 HydrophobicContact CE1-CD2 4.16Å; F307-L333 HydrophobicContact CE2-CD2 3.35Å; F307-L333 HydrophobicContact CG-CD1 4.49Å; F307-L333 HydrophobicContact CG-CD2 3.53Å; F307-L333 HydrophobicContact CZ-CD2 3.84Å; F307-Y363 HydrophobicContact CB-CD2 4.08Å; F307-Y363 HydrophobicContact CB-CE2 4.23Å; F307-Y363 HydrophobicContact CD1-CD2 4.19Å; F307-Y363 HydrophobicContact CD1-CE1 4.49Å; F307-Y363 AromaticContact CD1-CE2 3.53Å; F307-Y363 HydrophobicContact CD1-CE2 3.53Å; F307-Y363 AromaticContact CD1-CZ 3.69Å; F307-Y363 HydrophobicContact CE1-CE2 4.36Å; F307-Y363 HydrophobicContact CG-CE2 4.29Å
308T88.9Confident82.8Confident52 Ų5280.5 Ų80.532%0.31944%0.435SS..  trans-75.1108171-45.50000110.3M299 L362 Y363M299-T308 HydrophobicContact CE-CG2 3.54Å; M299-T308 HydrophobicContact SD-CG2 4.48Å; T308-L362 HydrophobicContact CG2-CD1 3.78Å; T308-Y363 PolarHBondContact O-N 3.49Å
309V89.4Confident82.8Confident58 Ų5874.5 Ų74.535%0.35241%0.412SS..EExtended strand (participates in β ladder)trans-110143.5-177-175.60000111.7F307 L333 Y363 A365F307-V309 HydrophobicContact CB-CG2 4.27Å; F307-V309 PolarHBondContact O-N 3.04Å; V309-L333 HydrophobicContact CG2-CD1 4.16Å; V309-Y363 WeakPolarHBondContact CA-O 3.25Å; V309-A365 HydrophobicContact CG1-CB 3.84Å
310I88.9Confident82.4Confident11 Ų1181.7 Ų81.76%0.05644%0.442CS..EExtended strand (participates in β ladder)trans-130.4148.7169.5-163.8167.3000110.5N314 Y315 L362 Y363 V364 A365I310-N314 HydrophobicContact CD1-CB 4Å; I310-N314 HydrophobicContact CG1-CB 3.69Å; I310-Y315 HydrophobicContact CG2-CD2 4.23Å; I310-L362 HydrophobicContact CB-CD1 4.03Å; I310-L362 HydrophobicContact CB-CD2 4.32Å; I310-L362 HydrophobicContact CB-CG 4.28Å; I310-L362 HydrophobicContact CD1-CD2 4.41Å; I310-L362 HydrophobicContact CG2-CD1 4.07Å; I310-L362 HydrophobicContact CG2-CD2 3.73Å; I310-L362 HydrophobicContact CG2-CG 3.75Å; I310-Y363 PolarHBondContact N-O 2.78Å; I310-V364 HydrophobicContact CG2-CB 4.4Å; I310-V364 HydrophobicContact CG2-CG1 4.42Å; I310-V364 HydrophobicContact CG2-CG2 3.98Å; I310-V364 CarbonylContact O-C 3.53Å; I310-V364 WeakPolarHBondContact O-CA 3.44Å; I310-A365 PolarHBondContact O-N 3.24Å
311S85.1Confident81.8Confident33 Ų3382.9 Ų82.923%0.23146%0.461CS..EExtended strand (participates in β ladder)trans-73147.7169.275.70000110.9E313 N314 Y315 A365S311-E313 PolarHBondContact O-N 3.34Å; S311-N314 PolarHBondContact O-N 3.07Å; S311-N314 VanDerWaalsContact O-N 3.13Å; S311-N314 WeakPolarHBondContact OG-CB 3.36Å; S311-N314 VanDerWaalsContact OG-CG 3.25Å; S311-N314 PolarHBondContact OG-N 2.81Å; S311-Y315 WeakPolarHBondContact O-CB 3.31Å; S311-Y315 PolarHBondContact O-N 3.13Å; S311-A365 CarbonylContact C-O 3.54Å
312K85.9Confident81.8Confident70 Ų7084 Ų8430%0.30447%0.472SS..Hα-helixtrans-59.6-25.8175.5-171.7173.1-175.7174.50112.8R316 A344 V364 A365K312-R316 WeakPolarHBondContact O-CD 3.11Å; K312-R316 VanDerWaalsContact O-CG 3.29Å; K312-R316 WeakPolarHBondContact O-CG 3.37Å; K312-R316 PolarHBondContact O-N 3.03Å; K312-A344 HydrophobicContact CD-CB 4.16Å; K312-V364 HydrophobicContact CB-CG1 4Å; K312-V364 HydrophobicContact CG-CG1 4.32Å; K312-A365 WeakPolarHBondContact CB-O 3.44Å; K312-A365 PolarHBondContact N-O 3.06Å
313E81.5Confident82.2Confident109 Ų10980.5 Ų80.551%0.50946%0.459SS..Hα-helixtrans-71.4-51.7172.4-174.9174.3-174.700111.5S311 Y315 R316 S317S311-E313 PolarHBondContact O-N 3.34Å; E313-Y315 VanDerWaalsContact C-N 3.29Å; E313-Y315 PolarHBondContact O-N 3.32Å; E313-R316 PolarHBondContact O-N 2.91Å; E313-R316 VanDerWaalsContact O-N 3.16Å; E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.93Å
314N84.5Confident83Confident95 Ų9575 Ų7551%0.50842%0.421SS..Hα-helixtrans-62.1-38.5177.3-72.4-0.3000111.4I310 S311 R316 S317 L318I310-N314 HydrophobicContact CD1-CB 4Å; I310-N314 HydrophobicContact CG1-CB 3.69Å; S311-N314 PolarHBondContact O-N 3.07Å; S311-N314 VanDerWaalsContact O-N 3.13Å; S311-N314 WeakPolarHBondContact OG-CB 3.36Å; S311-N314 VanDerWaalsContact OG-CG 3.25Å; S311-N314 PolarHBondContact OG-N 2.81Å; N314-R316 PolarHBondContact O-N 3.37Å; N314-S317 WeakPolarHBondContact O-CB 3.4Å; N314-S317 PolarHBondContact O-N 3.49Å; N314-L318 WeakPolarHBondContact O-CB 3.32Å; N314-L318 PolarHBondContact O-N 3.21Å
315Y88.9Confident84Confident18 Ų1876.4 Ų76.47%0.07142%0.417CS..Hα-helixtrans-54.2-51172.5-177.1-84.4000112.2I310 S311 E313 S317 L318 W319 P324 I326 V364I310-Y315 HydrophobicContact CG2-CD2 4.23Å; S311-Y315 WeakPolarHBondContact O-CB 3.31Å; S311-Y315 PolarHBondContact O-N 3.13Å; E313-Y315 VanDerWaalsContact C-N 3.29Å; E313-Y315 PolarHBondContact O-N 3.32Å; Y315-S317 VanDerWaalsContact C-N 3.33Å; Y315-S317 PolarHBondContact O-N 3Å; Y315-L318 PolarHBondContact O-N 3.31Å; Y315-W319 HydrophobicContact CD1-CE3 4.45Å; Y315-W319 AromaticContact CD2-CE3 3.78Å; Y315-W319 HydrophobicContact CD2-CE3 3.78Å; Y315-W319 AromaticContact CD2-CZ3 3.5Å; Y315-W319 HydrophobicContact CD2-CZ3 3.5Å; Y315-W319 VanDerWaalsContact CD2-CZ3 3.5Å; Y315-W319 HydrophobicContact CE1-CE3 4.26Å; Y315-W319 AromaticContact CE2-CE3 3.54Å; Y315-W319 HydrophobicContact CE2-CE3 3.54Å; Y315-W319 HydrophobicContact CE2-CH2 4.44Å; Y315-W319 AromaticContact CE2-CZ3 3.34Å; Y315-W319 HydrophobicContact CE2-CZ3 3.34Å; Y315-W319 HydrophobicContact CG-CE3 4.19Å; Y315-W319 HydrophobicContact CG-CZ3 4.3Å; Y315-W319 AromaticContact CZ-CE3 3.78Å; Y315-W319 PolarHBondContact O-N 3.4Å; Y315-P324 VanDerWaalsContact OH-CD 3.3Å; Y315-P324 WeakPolarHBondContact OH-CD 3.41Å; Y315-P324 PolarHBondContact OH-O 3.15Å; Y315-I326 HydrophobicContact CD1-CD1 4.12Å; Y315-I326 HydrophobicContact CE1-CD1 3.72Å; Y315-I326 HydrophobicContact CE1-CG1 4.28Å; Y315-I326 HydrophobicContact CE2-CD1 4.22Å; Y315-I326 HydrophobicContact CE2-CG1 4.27Å; Y315-V364 HydrophobicContact CD2-CG1 4.38Å; Y315-V364 HydrophobicContact CD2-CG2 3.67Å; Y315-V364 HydrophobicContact CE2-CG2 4.05Å; Y315-V364 HydrophobicContact CG-CG1 4.22Å; Y315-V364 HydrophobicContact CG-CG2 4.31Å
316R87.3Confident84.7Confident160 Ų16076.9 Ų76.960%0.60441%0.414SS*.Hα-helixtrans-68.5-31.1178-74.3168.8165.1-178.5-10.1113K312 E313 N314 W319 K320K312-R316 WeakPolarHBondContact O-CD 3.11Å; K312-R316 VanDerWaalsContact O-CG 3.29Å; K312-R316 WeakPolarHBondContact O-CG 3.37Å; K312-R316 PolarHBondContact O-N 3.03Å; E313-R316 PolarHBondContact O-N 2.91Å; E313-R316 VanDerWaalsContact O-N 3.16Å; N314-R316 PolarHBondContact O-N 3.37Å; R316-W319 CarbonylContact O-C 3.57Å; R316-K320 WeakPolarHBondContact O-CA 3.29Å; R316-K320 PolarHBondContact O-N 2.97Å
317S84.8Confident85.4Confident84 Ų8474.8 Ų74.859%0.58740%0.4SS*.Hα-helixtrans-68.9-40.3175.6-167.30000111.6E313 N314 Y315E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.93Å; N314-S317 WeakPolarHBondContact O-CB 3.4Å; N314-S317 PolarHBondContact O-N 3.49Å; Y315-S317 VanDerWaalsContact C-N 3.33Å; Y315-S317 PolarHBondContact O-N 3Å
318L86.7Confident85.5Confident35 Ų3577.1 Ų77.118%0.18342%0.423CS..Hα-helixtrans-70.2-39.6178.5-160.168.9000111.9V295 C297 N314 Y315V295-L318 HydrophobicContact CB-CD1 4.16Å; V295-L318 HydrophobicContact CB-CG 4.32Å; V295-L318 HydrophobicContact CG1-CD1 3.45Å; V295-L318 VanDerWaalsContact CG1-CD1 3.45Å; V295-L318 HydrophobicContact CG1-CG 3.97Å; C297-L318 HydrophobicContact CB-CD1 4.03Å; C297-L318 HydrophobicContact CB-CD2 4.09Å; N314-L318 WeakPolarHBondContact O-CB 3.32Å; N314-L318 PolarHBondContact O-N 3.21Å; Y315-L318 PolarHBondContact O-N 3.31Å
319W87.3Confident85.2Confident30 Ų3076.4 Ų76.411%0.11442%0.419CS..  trans-125.387.8177.2-58.5-71000111.8I292 N293 Y315 R316 S321 G323 P324 I349 L362I292-W319 HydrophobicContact CG2-CH2 3.82Å; I292-W319 HydrophobicContact CG2-CZ2 3.81Å; N293-W319 HydrophobicContact CB-CZ2 4.26Å; Y315-W319 HydrophobicContact CD1-CE3 4.45Å; Y315-W319 AromaticContact CD2-CE3 3.78Å; Y315-W319 HydrophobicContact CD2-CE3 3.78Å; Y315-W319 AromaticContact CD2-CZ3 3.5Å; Y315-W319 HydrophobicContact CD2-CZ3 3.5Å; Y315-W319 VanDerWaalsContact CD2-CZ3 3.5Å; Y315-W319 HydrophobicContact CE1-CE3 4.26Å; Y315-W319 AromaticContact CE2-CE3 3.54Å; Y315-W319 HydrophobicContact CE2-CE3 3.54Å; Y315-W319 HydrophobicContact CE2-CH2 4.44Å; Y315-W319 AromaticContact CE2-CZ3 3.34Å; Y315-W319 HydrophobicContact CE2-CZ3 3.34Å; Y315-W319 HydrophobicContact CG-CE3 4.19Å; Y315-W319 HydrophobicContact CG-CZ3 4.3Å; Y315-W319 AromaticContact CZ-CE3 3.78Å; Y315-W319 PolarHBondContact O-N 3.4Å; R316-W319 CarbonylContact O-C 3.57Å; W319-S321 PolarHBondContact O-N 3.07Å; W319-G323 VanDerWaalsContact CB-CA 3.45Å; W319-P324 HydrophobicContact CH2-CG 4.29Å; W319-P324 HydrophobicContact CZ2-CG 4.27Å; W319-I349 HydrophobicContact CH2-CG2 4.16Å; W319-L362 HydrophobicContact CH2-CD2 4.14Å; W319-L362 HydrophobicContact CZ3-CD2 4.21Å
320K76.8Confident84.7Confident188 Ų18885.6 Ų85.682%0.81745%0.448SS*.SBendtrans-68.2-29-176-65.2-178.7-179.81770114.8R316R316-K320 WeakPolarHBondContact O-CA 3.29Å; R316-K320 PolarHBondContact O-N 2.97Å
321S69.9Low84.2Confident117 Ų11789.4 Ų89.482%0.81847%0.468SS*.SBendtrans-108.9-65-17648.10000111.9W319W319-S321 PolarHBondContact O-N 3.07Å
322T79.4Confident83.9Confident120 Ų12097.1 Ų97.174%0.73649%0.492SS*.  trans-138.3107.3-177.7-46.90000109.5
323G84.1Confident83.6Confident25 Ų2594.4 Ų94.426%0.25848%0.481SS..  trans-94.4178.7168.300000111.7W319W319-G323 VanDerWaalsContact CB-CA 3.45Å
324P88.2Confident83.3Confident16 Ų1693.2 Ų93.210%0.10448%0.48CS..  trans-46.4150.5168.7-3036.5000114N293 Y315 W319 I326 C347 I349N293-P324 WeakPolarHBondContact ND2-CG 3.46Å; Y315-P324 VanDerWaalsContact OH-CD 3.3Å; Y315-P324 WeakPolarHBondContact OH-CD 3.41Å; Y315-P324 PolarHBondContact OH-O 3.15Å; W319-P324 HydrophobicContact CH2-CG 4.29Å; W319-P324 HydrophobicContact CZ2-CG 4.27Å; P324-I326 PolarHBondContact O-N 3.12Å; P324-C347 HydrophobicContact CB-CB 3.83Å; P324-I349 HydrophobicContact CG-CG2 4.08Å
325P88.3Confident82.7Confident101 Ų10191.5 Ų91.566%0.65647%0.471SS*.  trans-62.9129.2168.626.8-32.7000109.6C347P325-C347 WeakPolarHBondContact O-CB 3.36Å
326I90.5Very high81.2Confident64 Ų6497.1 Ų97.133%0.32850%0.496SS..  trans-91.4110.1173.1-59.7176.1000107.8Y315 P324 C347 V364Y315-I326 HydrophobicContact CD1-CD1 4.12Å; Y315-I326 HydrophobicContact CE1-CD1 3.72Å; Y315-I326 HydrophobicContact CE1-CG1 4.28Å; Y315-I326 HydrophobicContact CE2-CD1 4.22Å; Y315-I326 HydrophobicContact CE2-CG1 4.27Å; P324-I326 PolarHBondContact O-N 3.12Å; I326-C347 HydrophobicContact CG1-CB 4.49Å; I326-V364 HydrophobicContact CD1-CB 4.41Å; I326-V364 HydrophobicContact CD1-CG1 4.3Å; I326-V364 HydrophobicContact CD1-CG2 4.07Å; I326-V364 HydrophobicContact CG1-CG2 4.34Å
327E90.9Very high79.6Confident109 Ų10992.5 Ų92.551%0.50948%0.481SS..BIsolated β-bridgetrans-85147.2178.5-65.8174.9-169.200111.5C329 G345 V346E327-C329 PolarHBondContact O-N 2.95Å; E327-G345 CarbonylContact O-C 3.55Å; E327-G345 WeakPolarHBondContact O-CA 3.45Å; E327-V346 HydrophobicContact CB-CG1 4.47Å; E327-V346 PolarHBondContact N-O 3.07Å; E327-V346 PolarHBondContact O-N 2.74Å
328P87.5Confident78.6Confident125 Ų12595.7 Ų95.781%0.81248%0.481SS*.PPolyproline II helixtrans-59.8118.2172.6-23.134.2000111.9
329C82.7Confident77.4Confident36 Ų3698.2 Ų98.224%0.24349%0.492CS..PPolyproline II helixtrans-90.5127.1178.3-164.30000111.1E327 L343 V346E327-C329 PolarHBondContact O-N 2.95Å; C329-L343 HydrophobicContact CB-CD1 4.34Å; C329-V346 HydrophobicContact CB-CB 4.21Å; C329-V346 HydrophobicContact CB-CG1 4.02Å
330R78.9Confident76.7Confident252 Ų25299.8 Ų99.895%0.95150%0.504SS*.  trans-83.1-12.4173.8-64.5-175.7-177.5176.51113.6
331L78.9Confident76.8Confident91 Ų9192.6 Ų92.648%0.47648%0.476SS..  trans-77.8136-179.8-61.8171.8000110.6Y363L331-Y363 HydrophobicContact CD1-CE1 4.11Å
332R78.9Confident77.3Confident194 Ų19490.2 Ų90.273%0.73246%0.458SS*.  trans-9396.7169-71.3177.262.6-177-2.9108.4
333L79.3Confident77.6Confident14 Ų1485.8 Ų85.87%0.07343%0.429CS..  trans-66.9133.1166.3-70.8-177.2000109.2F307 V309 V340 V341 L343 Y363F307-L333 HydrophobicContact CB-CD1 4.39Å; F307-L333 HydrophobicContact CB-CD2 4.22Å; F307-L333 HydrophobicContact CD1-CD2 4.02Å; F307-L333 HydrophobicContact CD2-CD2 3.18Å; F307-L333 HydrophobicContact CE1-CD2 4.16Å; F307-L333 HydrophobicContact CE2-CD2 3.35Å; F307-L333 HydrophobicContact CG-CD1 4.49Å; F307-L333 HydrophobicContact CG-CD2 3.53Å; F307-L333 HydrophobicContact CZ-CD2 3.84Å; V309-L333 HydrophobicContact CG2-CD1 4.16Å; L333-V340 WeakPolarHBondContact O-CA 3.26Å; L333-V341 HydrophobicContact CB-CB 4.21Å; L333-V341 PolarHBondContact O-N 3.49Å; L333-L343 HydrophobicContact CB-CD1 4.25Å; L333-L343 HydrophobicContact CB-CD2 4.35Å; L333-L343 HydrophobicContact CD1-CD1 3.95Å; L333-L343 HydrophobicContact CD1-CD2 3.91Å; L333-L343 HydrophobicContact CG-CD1 3.95Å; L333-L343 HydrophobicContact CG-CD2 4.47Å; L333-Y363 HydrophobicContact CD1-CD1 3.76Å; L333-Y363 HydrophobicContact CD1-CG 3.79Å; L333-Y363 HydrophobicContact CG-CD1 4.45Å
334V76.1Confident77.7Confident83 Ų8386.1 Ų86.150%0.50343%0.43SS..BIsolated β-bridgetrans-114149.7170.7-660000109.1Q339V334-Q339 CarbonylContact C-O 3.52Å; V334-Q339 WeakPolarHBondContact CA-O 3.36Å
335D71.9Confident77.8Confident60 Ų6085.5 Ų85.532%0.32143%0.426SS..  trans-84.5-179.4167.362.725.4000111.2Q337 R338 Q339 V341D335-Q337 PolarHBondContact O-N 3.42Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.36Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.2Å; D335-Q337 PolarHBondContact OD1-N 3.07Å; D335-R338 WeakPolarHBondContact O-CA 3.29Å; D335-R338 PolarHBondContact O-N 2.91Å; D335-R338 PolarHBondContact OD1-N 3.28Å; D335-Q339 PolarHBondContact N-O 3.41Å; D335-Q339 WeakPolarHBondContact OD1-CB 3.46Å; D335-Q339 PolarHBondContact OD1-N 2.88Å; D335-V341 HydrophobicContact CB-CG2 4.02Å
336F56.7Low78Confident136 Ų13681.5 Ų81.560%0.59640%0.4SS*.THydrogen-bonded Turntrans-60.3-16.5178.374.4-84.2000114R338 T421F336-R338 VanDerWaalsContact C-N 3.33Å; F336-T421 HydrophobicContact CD2-CG2 3.79Å; F336-T421 HydrophobicContact CE2-CG2 3.88Å
337Q53.9Low78.1Confident62 Ų6278.5 Ų78.529%0.2939%0.385SS..THydrogen-bonded Turntrans-96.615.4175.6-53.8-170.2-45.300112.1D335 Q339D335-Q337 PolarHBondContact O-N 3.42Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.36Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.2Å; D335-Q337 PolarHBondContact OD1-N 3.07Å; Q337-Q339 HydrophobicContact CB-CG 4.09Å; Q337-Q339 PolarHBondContact O-N 3.24Å; Q337-Q339 PolarHBondContact O-NE2 2.73Å
338R62.8Low78.2Confident152 Ų15276.5 Ų76.557%0.57438%0.38SS*.SBendtrans58.613-173.5-53.2177.6-178.7-117.6-1.7113.9D335 F336 E442D335-R338 WeakPolarHBondContact O-CA 3.29Å; D335-R338 PolarHBondContact O-N 2.91Å; D335-R338 PolarHBondContact OD1-N 3.28Å; F336-R338 VanDerWaalsContact C-N 3.33Å; R338-E442 IonicContact NE-OE1 2.69Å; R338-E442 PolarHBondContact NE-OE1 3.16Å
339Q63.1Low78.4Confident88 Ų8870.7 Ų70.741%0.41134%0.342SS..  trans-79.1138.1179.2-59.6-59.1-41.400109.8V334 D335 Q337 V341V334-Q339 CarbonylContact C-O 3.52Å; V334-Q339 WeakPolarHBondContact CA-O 3.36Å; D335-Q339 PolarHBondContact N-O 3.41Å; D335-Q339 WeakPolarHBondContact OD1-CB 3.46Å; D335-Q339 PolarHBondContact OD1-N 2.88Å; Q337-Q339 HydrophobicContact CB-CG 4.09Å; Q337-Q339 PolarHBondContact O-N 3.24Å; Q337-Q339 PolarHBondContact O-NE2 2.73Å; Q339-V341 PolarHBondContact O-N 3.19Å; Q339-V341 VanDerWaalsContact O-N 3.16Å
340V72.6Confident78.9Confident63 Ų6372.5 Ų72.538%0.38235%0.349SS..BIsolated β-bridgetrans-69.4115.5-178.9-177.50000109.7L333 P342L333-V340 WeakPolarHBondContact O-CA 3.26Å; V340-P342 WeakPolarHBondContact O-CD 3.35Å
341V78.1Confident79.6Confident36 Ų3661.5 Ų61.522%0.21831%0.31CS..  trans-68.7113.8172.2-179.30000108L333 D335 Q339 L343 A365L333-V341 HydrophobicContact CB-CB 4.21Å; L333-V341 PolarHBondContact O-N 3.49Å; D335-V341 HydrophobicContact CB-CG2 4.02Å; Q339-V341 PolarHBondContact O-N 3.19Å; Q339-V341 VanDerWaalsContact O-N 3.16Å; V341-L343 HydrophobicContact CG1-CD2 4.11Å; V341-L343 PolarHBondContact O-N 3.22Å; V341-A365 HydrophobicContact CG1-CB 3.87Å
342P80.7Confident80.2Confident67 Ų6758.3 Ų58.344%0.43530%0.295SS..  trans-72.2110.2-172.5-1933.5000110.5V340 K366V340-P342 WeakPolarHBondContact O-CD 3.35Å; P342-K366 HydrophobicContact CB-CB 4.39Å; P342-K366 HydrophobicContact CB-CD 4.13Å; P342-K366 VanDerWaalsContact O-CB 3.27Å; P342-K366 WeakPolarHBondContact O-CB 3.21Å; P342-K366 WeakPolarHBondContact O-CG 3.35Å; P342-K366 PolarHBondContact O-N 3.18Å
343L85.4Confident80.8Confident27 Ų2754.9 Ų54.914%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-86.2144-178.1-55-175.9000112.6C329 L333 V341 Y363 A365 K366C329-L343 HydrophobicContact CB-CD1 4.34Å; L333-L343 HydrophobicContact CB-CD1 4.25Å; L333-L343 HydrophobicContact CB-CD2 4.35Å; L333-L343 HydrophobicContact CD1-CD1 3.95Å; L333-L343 HydrophobicContact CD1-CD2 3.91Å; L333-L343 HydrophobicContact CG-CD1 3.95Å; L333-L343 HydrophobicContact CG-CD2 4.47Å; V341-L343 HydrophobicContact CG1-CD2 4.11Å; V341-L343 PolarHBondContact O-N 3.22Å; L343-Y363 HydrophobicContact CD1-CD1 4.17Å; L343-A365 HydrophobicContact CD2-CB 4.5Å; L343-K366 WeakPolarHBondContact O-CD 2.89Å; L343-K366 WeakPolarHBondContact O-CE 3.5Å; L343-K366 PolarHBondContact O-NZ 3.26Å
344A87Confident81.2Confident33 Ų3357.8 Ų57.827%0.27332%0.317SS..EExtended strand (participates in β ladder)trans-83-29.6163.100000111K312 V364 K366K312-A344 HydrophobicContact CD-CB 4.16Å; A344-V364 HydrophobicContact CB-CB 4.26Å; A344-V364 HydrophobicContact CB-CG1 4.08Å; A344-V364 WeakPolarHBondContact CB-O 3.4Å; A344-V364 PolarHBondContact N-O 3.46Å; A344-K366 HydrophobicContact CB-CG 4Å
345G90.8Very high81.8Confident2 Ų265.4 Ų65.42%0.02134%0.336CS..EExtended strand (participates in β ladder)trans154.6-162.8175.900000110.9E327 V364E327-G345 CarbonylContact O-C 3.55Å; E327-G345 WeakPolarHBondContact O-CA 3.45Å; G345-V364 PolarHBondContact O-N 3.05Å
346V91.9Very high82.6Confident18 Ų1869.4 Ų69.411%0.10935%0.353CS..EExtended strand (participates in β ladder)trans-125.8146.8175.7630000109E327 C329 R361 L362 Y363E327-V346 HydrophobicContact CB-CG1 4.47Å; E327-V346 PolarHBondContact N-O 3.07Å; E327-V346 PolarHBondContact O-N 2.74Å; C329-V346 HydrophobicContact CB-CB 4.21Å; C329-V346 HydrophobicContact CB-CG1 4.02Å; V346-R361 HydrophobicContact CG2-CB 3.95Å; V346-R361 HydrophobicContact CG2-CG 4.35Å; V346-L362 WeakPolarHBondContact CA-O 3.28Å; V346-Y363 HydrophobicContact CB-CD1 4.08Å; V346-Y363 HydrophobicContact CB-CE1 4.18Å; V346-Y363 HydrophobicContact CG2-CD1 3.99Å; V346-Y363 HydrophobicContact CG2-CD2 4.36Å; V346-Y363 HydrophobicContact CG2-CE1 3.92Å; V346-Y363 HydrophobicContact CG2-CE2 4.27Å; V346-Y363 HydrophobicContact CG2-CG 4.22Å
347C91.7Very high84.2Confident1 Ų171.5 Ų71.51%0.00736%0.362CS..EExtended strand (participates in β ladder)trans-133154.9171.860.80000110P324 P325 I326 L362P324-C347 HydrophobicContact CB-CB 3.83Å; P325-C347 WeakPolarHBondContact O-CB 3.36Å; I326-C347 HydrophobicContact CG1-CB 4.49Å; C347-L362 PolarHBondContact N-O 3.49Å; C347-L362 PolarHBondContact O-N 3.38Å
348T92.5Very high86Confident67 Ų6770.2 Ų70.241%0.41137%0.366SS..EExtended strand (participates in β ladder)trans-97.1129.7177.4-59.70000109.3R359T348-R359 HydrophobicContact CG2-CG 3.31Å
349I92.7Very high87.4Confident2 Ų271.1 Ų71.11%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-127144.5-17552.6164.3000111.2I292 W319 P324 V351 R359 L360 L362I292-I349 HydrophobicContact CD1-CD1 4.32Å; I292-I349 HydrophobicContact CG2-CB 3.72Å; I292-I349 HydrophobicContact CG2-CD1 3.58Å; I292-I349 HydrophobicContact CG2-CG1 4.22Å; I292-I349 HydrophobicContact CG2-CG2 3.82Å; W319-I349 HydrophobicContact CH2-CG2 4.16Å; P324-I349 HydrophobicContact CG-CG2 4.08Å; I349-V351 HydrophobicContact CB-CG2 4.45Å; I349-V351 HydrophobicContact CD1-CG2 3.48Å; I349-V351 VanDerWaalsContact CD1-CG2 3.48Å; I349-V351 HydrophobicContact CG1-CG2 3.82Å; I349-R359 CarbonylContact O-C 3.32Å; I349-R359 WeakPolarHBondContact O-CA 3.48Å; I349-L360 HydrophobicContact CG1-CB 4.4Å; I349-L360 VanDerWaalsContact CG1-O 3.3Å; I349-L360 WeakPolarHBondContact CG1-O 3.27Å; I349-L360 PolarHBondContact N-O 3.32Å; I349-L360 PolarHBondContact O-N 3.08Å; I349-L362 HydrophobicContact CD1-CB 3.67Å; I349-L362 HydrophobicContact CD1-CD1 4.1Å; I349-L362 HydrophobicContact CD1-CD2 4.12Å; I349-L362 HydrophobicContact CD1-CG 4.18Å; I349-L362 HydrophobicContact CG1-CB 3.92Å; I349-L362 HydrophobicContact CG2-CB 4.18Å; I349-L362 HydrophobicContact CG2-CD2 4.15Å
350D93.1Very high88.7Confident75 Ų7571 Ų7140%0.40137%0.37SS..EExtended strand (participates in β ladder)trans-90.5121.1168.7-67.8-37.4000108.5N293 R359N293-D350 PolarHBondContact N-O 2.87Å; N293-D350 PolarHBondContact OD1-N 2.67Å; N293-D350 PolarHBondContact OD1-O 2.99Å; D350-R359 IonicContact OD1-CZ 3.7Å; D350-R359 IonicContact OD1-NE 3.89Å; D350-R359 PolarHBondContact OD1-NE 3.14Å; D350-R359 IonicContact OD1-NH2 2.76Å; D350-R359 PolarHBondContact OD1-NH2 2.99Å; D350-R359 VanDerWaalsContact OD1-NH2 3.07Å; D350-R359 IonicContact OD2-CZ 3.26Å; D350-R359 IonicContact OD2-NE 2.76Å; D350-R359 IonicContact OD2-NH2 3.86Å; D350-R359 PolarHBondContact OD2-NH2 2.93Å
351V93.2Very high89.5Confident21 Ų2175.6 Ų75.613%0.12738%0.381CS..EExtended strand (participates in β ladder)trans-116.5141.1-173.6-177.10000110V290 I291 I349 K357 G358 L360V290-V351 HydrophobicContact CB-CG1 4.36Å; V290-V351 HydrophobicContact CG1-CG1 3.51Å; I291-V351 CarbonylContact O-C 3.46Å; I291-V351 WeakPolarHBondContact O-CA 3.45Å; I349-V351 HydrophobicContact CB-CG2 4.45Å; I349-V351 HydrophobicContact CD1-CG2 3.48Å; I349-V351 VanDerWaalsContact CD1-CG2 3.48Å; I349-V351 HydrophobicContact CG1-CG2 3.82Å; V351-K357 WeakPolarHBondContact O-CA 3.5Å; V351-G358 PolarHBondContact N-O 3.07Å; V351-G358 PolarHBondContact O-N 2.79Å; V351-L360 HydrophobicContact CB-CD1 4.17Å; V351-L360 HydrophobicContact CG1-CD1 4.43Å; V351-L360 HydrophobicContact CG2-CB 4.25Å; V351-L360 HydrophobicContact CG2-CD1 4.05Å; V351-L360 HydrophobicContact CG2-CG 4.32Å
352S91.7Very high90.2Very high23 Ų2373.9 Ų73.916%0.16137%0.371CS..EExtended strand (participates in β ladder)trans-137.6140.3169.457.30000113.1I291 H356I291-S352 WeakPolarHBondContact CB-OG 3.5Å; I291-S352 PolarHBondContact N-O 3.5Å; I291-S352 PolarHBondContact O-N 3.42Å; S352-H356 VanDerWaalsContact CA-O 3.31Å; S352-H356 WeakPolarHBondContact CA-O 3.38Å
353Y91Very high90.6Very high122 Ų12271.2 Ų71.248%0.47835%0.352SS..EExtended strand (participates in β ladder)trans-147.3113.3178.9-175.8-110.4000109.9T288 V290 R355 H356T288-Y353 HydrophobicContact CG2-CE2 4.23Å; T288-Y353 WeakPolarHBondContact OG1-CE2 3.38Å; T288-Y353 PolarHBondContact OG1-OH 3.1Å; V290-Y353 HydrophobicContact CG1-CD2 4.38Å; V290-Y353 HydrophobicContact CG1-CG 4.46Å; Y353-R355 PolarHBondContact O-N 3.18Å; Y353-H356 PolarHBondContact N-O 3.09Å; Y353-H356 WeakPolarHBondContact O-CB 3.34Å; Y353-H356 PolarHBondContact O-N 2.98Å
354G88.5Confident90.9Very high76 Ų7669.9 Ų69.978%0.78435%0.345SS*.THydrogen-bonded Turntrans57.2-119.1-173.300000111.7
355R88.8Confident90.9Very high242 Ų24268.9 Ų68.991%0.91334%0.337SS*.THydrogen-bonded Turntrans-84.8-17.4175.7-58.1-177.4-167.4165.35.8113.4Y353Y353-R355 PolarHBondContact O-N 3.18Å
356H87.7Confident90.4Very high145 Ų14574.5 Ų74.567%0.67136%0.361SS*.EExtended strand (participates in β ladder)trans-83.1134.6-174-54.5-87.3000110.2S352 Y353S352-H356 VanDerWaalsContact CA-O 3.31Å; S352-H356 WeakPolarHBondContact CA-O 3.38Å; Y353-H356 PolarHBondContact N-O 3.09Å; Y353-H356 WeakPolarHBondContact O-CB 3.34Å; Y353-H356 PolarHBondContact O-N 2.98Å
357K92.2Very high89.1Confident179 Ų17975 Ų7578%0.77837%0.369SS*.EExtended strand (participates in β ladder)trans-136.1141173.4-57.6-166.7175.7-179.20108.6V351V351-K357 WeakPolarHBondContact O-CA 3.5Å
358G90.4Very high87.8Confident36 Ų3680.1 Ų80.137%0.37139%0.393SS..EExtended strand (participates in β ladder)trans-167162.2-179.300000112.2V351V351-G358 PolarHBondContact N-O 3.07Å; V351-G358 PolarHBondContact O-N 2.79Å
359R91.6Very high86.5Confident171 Ų17181.7 Ų81.765%0.64539%0.394SS*.EExtended strand (participates in β ladder)trans-103117.8177179.9168.4-73.2-177.1-3.6109.1T348 I349 D350T348-R359 HydrophobicContact CG2-CG 3.31Å; I349-R359 CarbonylContact O-C 3.32Å; I349-R359 WeakPolarHBondContact O-CA 3.48Å; D350-R359 IonicContact OD1-CZ 3.7Å; D350-R359 IonicContact OD1-NE 3.89Å; D350-R359 PolarHBondContact OD1-NE 3.14Å; D350-R359 IonicContact OD1-NH2 2.76Å; D350-R359 PolarHBondContact OD1-NH2 2.99Å; D350-R359 VanDerWaalsContact OD1-NH2 3.07Å; D350-R359 IonicContact OD2-CZ 3.26Å; D350-R359 IonicContact OD2-NE 2.76Å; D350-R359 IonicContact OD2-NH2 3.86Å; D350-R359 PolarHBondContact OD2-NH2 2.93Å
360L91.4Very high85.1Confident84 Ų8485.2 Ų85.244%0.4442%0.424SS..EExtended strand (participates in β ladder)trans-121.9160.1-171.7-61.3-179.8000111.6I349 V351I349-L360 HydrophobicContact CG1-CB 4.4Å; I349-L360 VanDerWaalsContact CG1-O 3.3Å; I349-L360 WeakPolarHBondContact CG1-O 3.27Å; I349-L360 PolarHBondContact N-O 3.32Å; I349-L360 PolarHBondContact O-N 3.08Å; V351-L360 HydrophobicContact CB-CD1 4.17Å; V351-L360 HydrophobicContact CG1-CD1 4.43Å; V351-L360 HydrophobicContact CG2-CB 4.25Å; V351-L360 HydrophobicContact CG2-CD1 4.05Å; V351-L360 HydrophobicContact CG2-CG 4.32Å
361R90.1Very high83.8Confident160 Ų16084.6 Ų84.660%0.60442%0.423SS*.EExtended strand (participates in β ladder)trans-91.7124.9173-71.2-179.1178.31641.8110V346 Y363V346-R361 HydrophobicContact CG2-CB 3.95Å; V346-R361 HydrophobicContact CG2-CG 4.35Å; R361-Y363 HydrophobicContact CB-CE2 3.89Å
362L91.4Very high82.9Confident0 Ų084.8 Ų84.80%042%0.424CS..EExtended strand (participates in β ladder)trans-107.3115.4175.5-17368.9000110.1T308 I310 W319 V346 C347 I349T308-L362 HydrophobicContact CG2-CD1 3.78Å; I310-L362 HydrophobicContact CB-CD1 4.03Å; I310-L362 HydrophobicContact CB-CD2 4.32Å; I310-L362 HydrophobicContact CB-CG 4.28Å; I310-L362 HydrophobicContact CD1-CD2 4.41Å; I310-L362 HydrophobicContact CG2-CD1 4.07Å; I310-L362 HydrophobicContact CG2-CD2 3.73Å; I310-L362 HydrophobicContact CG2-CG 3.75Å; W319-L362 HydrophobicContact CH2-CD2 4.14Å; W319-L362 HydrophobicContact CZ3-CD2 4.21Å; V346-L362 WeakPolarHBondContact CA-O 3.28Å; C347-L362 PolarHBondContact N-O 3.49Å; C347-L362 PolarHBondContact O-N 3.38Å; I349-L362 HydrophobicContact CD1-CB 3.67Å; I349-L362 HydrophobicContact CD1-CD1 4.1Å; I349-L362 HydrophobicContact CD1-CD2 4.12Å; I349-L362 HydrophobicContact CD1-CG 4.18Å; I349-L362 HydrophobicContact CG1-CB 3.92Å; I349-L362 HydrophobicContact CG2-CB 4.18Å; I349-L362 HydrophobicContact CG2-CD2 4.15Å
363Y90.8Very high82.2Confident11 Ų1184.9 Ų84.94%0.04343%0.426CS..EExtended strand (participates in β ladder)trans-89122.4179.9-66.2-97.4000109.9F307 T308 V309 I310 L331 L333 L343 V346 R361 A365F307-Y363 HydrophobicContact CB-CD2 4.08Å; F307-Y363 HydrophobicContact CB-CE2 4.23Å; F307-Y363 HydrophobicContact CD1-CD2 4.19Å; F307-Y363 HydrophobicContact CD1-CE1 4.49Å; F307-Y363 AromaticContact CD1-CE2 3.53Å; F307-Y363 HydrophobicContact CD1-CE2 3.53Å; F307-Y363 AromaticContact CD1-CZ 3.69Å; F307-Y363 HydrophobicContact CE1-CE2 4.36Å; F307-Y363 HydrophobicContact CG-CE2 4.29Å; T308-Y363 PolarHBondContact O-N 3.49Å; V309-Y363 WeakPolarHBondContact CA-O 3.25Å; I310-Y363 PolarHBondContact N-O 2.78Å; L331-Y363 HydrophobicContact CD1-CE1 4.11Å; L333-Y363 HydrophobicContact CD1-CD1 3.76Å; L333-Y363 HydrophobicContact CD1-CG 3.79Å; L333-Y363 HydrophobicContact CG-CD1 4.45Å; L343-Y363 HydrophobicContact CD1-CD1 4.17Å; V346-Y363 HydrophobicContact CB-CD1 4.08Å; V346-Y363 HydrophobicContact CB-CE1 4.18Å; V346-Y363 HydrophobicContact CG2-CD1 3.99Å; V346-Y363 HydrophobicContact CG2-CD2 4.36Å; V346-Y363 HydrophobicContact CG2-CE1 3.92Å; V346-Y363 HydrophobicContact CG2-CE2 4.27Å; V346-Y363 HydrophobicContact CG2-CG 4.22Å; R361-Y363 HydrophobicContact CB-CE2 3.89Å; Y363-A365 PolarHBondContact O-N 2.94Å
364V90.4Very high81.5Confident0 Ų081 Ų810%041%0.412CS..EExtended strand (participates in β ladder)trans-96.1100.3-175.3-173.70000109.3I310 K312 Y315 I326 A344 G345I310-V364 HydrophobicContact CG2-CB 4.4Å; I310-V364 HydrophobicContact CG2-CG1 4.42Å; I310-V364 HydrophobicContact CG2-CG2 3.98Å; I310-V364 CarbonylContact O-C 3.53Å; I310-V364 WeakPolarHBondContact O-CA 3.44Å; K312-V364 HydrophobicContact CB-CG1 4Å; K312-V364 HydrophobicContact CG-CG1 4.32Å; Y315-V364 HydrophobicContact CD2-CG1 4.38Å; Y315-V364 HydrophobicContact CD2-CG2 3.67Å; Y315-V364 HydrophobicContact CE2-CG2 4.05Å; Y315-V364 HydrophobicContact CG-CG1 4.22Å; Y315-V364 HydrophobicContact CG-CG2 4.31Å; I326-V364 HydrophobicContact CD1-CB 4.41Å; I326-V364 HydrophobicContact CD1-CG1 4.3Å; I326-V364 HydrophobicContact CD1-CG2 4.07Å; I326-V364 HydrophobicContact CG1-CG2 4.34Å; A344-V364 HydrophobicContact CB-CB 4.26Å; A344-V364 HydrophobicContact CB-CG1 4.08Å; A344-V364 WeakPolarHBondContact CB-O 3.4Å; A344-V364 PolarHBondContact N-O 3.46Å; G345-V364 PolarHBondContact O-N 3.05Å
365A87.5Confident81.2Confident12 Ų1278.8 Ų78.810%0.09938%0.384CS..EExtended strand (participates in β ladder)trans-74.6132.8175.500000110.9V309 I310 S311 K312 V341 L343 Y363 G367V309-A365 HydrophobicContact CG1-CB 3.84Å; I310-A365 PolarHBondContact O-N 3.24Å; S311-A365 CarbonylContact C-O 3.54Å; K312-A365 WeakPolarHBondContact CB-O 3.44Å; K312-A365 PolarHBondContact N-O 3.06Å; V341-A365 HydrophobicContact CG1-CB 3.87Å; L343-A365 HydrophobicContact CD2-CB 4.5Å; Y363-A365 PolarHBondContact O-N 2.94Å; A365-G367 PolarHBondContact O-N 3.01Å
366K80.4Confident81Confident119 Ų11969 Ų6952%0.51735%0.35SS..  trans-60.8-27.8179.2-76163.4169.1147.40112.9P342 L343 A344P342-K366 HydrophobicContact CB-CB 4.39Å; P342-K366 HydrophobicContact CB-CD 4.13Å; P342-K366 VanDerWaalsContact O-CB 3.27Å; P342-K366 WeakPolarHBondContact O-CB 3.21Å; P342-K366 WeakPolarHBondContact O-CG 3.35Å; P342-K366 PolarHBondContact O-N 3.18Å; L343-K366 WeakPolarHBondContact O-CD 2.89Å; L343-K366 WeakPolarHBondContact O-CE 3.5Å; L343-K366 PolarHBondContact O-NZ 3.26Å; A344-K366 HydrophobicContact CB-CG 4Å
367G64.4Low80.5Confident28 Ų2870 Ų7029%0.28935%0.348SS..  trans66.497178.800000112.2A365 T371A365-G367 PolarHBondContact O-N 3.01Å; G367-T371 PolarHBondContact O-OG1 3.43Å
368H63.2Low79.9Confident110 Ų11066.1 Ų66.151%0.50933%0.33SS..  trans-104-66.3-177.4-151.655.5000112.7V372H368-V372 WeakPolarHBondContact O-CB 3.33Å; H368-V372 VanDerWaalsContact O-CG2 3.24Å; H368-V372 WeakPolarHBondContact O-CG2 3.26Å; H368-V372 PolarHBondContact O-N 3.4Å; H368-V372 VanDerWaalsContact O-N 3.11Å
369K66.2Low79.7Confident99 Ų9965.3 Ų65.343%0.4332%0.317SS..Hα-helixtrans-67.2-49.8-168.5-55.5-170.8-176.3-1730113V372 A373 E406K369-V372 PolarHBondContact O-N 3.18Å; K369-A373 PolarHBondContact O-N 2.9Å; K369-A373 VanDerWaalsContact O-N 3.12Å; K369-E406 WeakPolarHBondContact CE-OE1 3.49Å; K369-E406 IonicContact NZ-OE1 3.71Å; K369-E406 PolarHBondContact NZ-OE1 3.42Å; K369-E406 IonicContact NZ-OE2 3.68Å; K369-E406 PolarHBondContact NZ-OE2 3.39Å
370A64.3Low79.2Confident77 Ų7764.2 Ų64.264%0.63632%0.324SS*.Hα-helixtrans-63.8-44.8179.600000112.9V372 A373 E374A370-V372 VanDerWaalsContact C-N 3.31Å; A370-V372 PolarHBondContact O-N 3.13Å; A370-A373 PolarHBondContact O-N 3.47Å; A370-E374 WeakPolarHBondContact O-CB 3.32Å; A370-E374 PolarHBondContact O-N 3.47Å
371T64.8Low78.7Confident62 Ų6266.6 Ų66.638%0.3833%0.327SS..Hα-helixtrans-62.2-37.2179.1-47.90000112.2G367G367-T371 PolarHBondContact O-OG1 3.43Å
372V73.7Confident78Confident25 Ų2563.5 Ų63.515%0.15234%0.335CS..Hα-helixtrans-69.5-37175.1166.10000112.1H368 K369 A370 A395 K398 V399 L402H368-V372 WeakPolarHBondContact O-CB 3.33Å; H368-V372 VanDerWaalsContact O-CG2 3.24Å; H368-V372 WeakPolarHBondContact O-CG2 3.26Å; H368-V372 PolarHBondContact O-N 3.4Å; H368-V372 VanDerWaalsContact O-N 3.11Å; K369-V372 PolarHBondContact O-N 3.18Å; A370-V372 VanDerWaalsContact C-N 3.31Å; A370-V372 PolarHBondContact O-N 3.13Å; V372-A395 WeakPolarHBondContact O-CB 3.36Å; V372-K398 HydrophobicContact CG1-CB 3.46Å; V372-K398 VanDerWaalsContact CG1-CB 3.46Å; V372-V399 HydrophobicContact CG1-CG2 3.86Å; V372-L402 HydrophobicContact CB-CD1 4.21Å; V372-L402 HydrophobicContact CG1-CD1 3.94Å; V372-L402 HydrophobicContact CG2-CD1 4.4Å
373A77.1Confident77.5Confident25 Ų2571.9 Ų71.921%0.20738%0.381CS..Hα-helixtrans-82.1-16.4178.600000114.3K369 A370 L376 R377 V399K369-A373 PolarHBondContact O-N 2.9Å; K369-A373 VanDerWaalsContact O-N 3.12Å; A370-A373 PolarHBondContact O-N 3.47Å; A373-L376 WeakPolarHBondContact O-CB 3.34Å; A373-L376 PolarHBondContact O-N 3.13Å; A373-R377 PolarHBondContact O-N 3.47Å; A373-V399 HydrophobicContact CB-CG2 4.1Å
374E77.2Confident77.1Confident41 Ų4174.4 Ų74.419%0.19240%0.397CS..Hα-helixtrans-58.6-38.3-172.4173.858.9-171.600115A370 L376 R377 K378 R381A370-E374 WeakPolarHBondContact O-CB 3.32Å; A370-E374 PolarHBondContact O-N 3.47Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 2.89Å; E374-R377 PolarHBondContact O-N 3.01Å; E374-R377 VanDerWaalsContact O-N 3.15Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.37Å; E374-K378 WeakPolarHBondContact OE1-CE 3.43Å; E374-K378 WeakPolarHBondContact OE1-CG 3.32Å; E374-R381 IonicContact OE1-CZ 2.75Å; E374-R381 IonicContact OE1-NH1 3.38Å; E374-R381 IonicContact OE1-NH2 2.66Å; E374-R381 PolarHBondContact OE1-NH2 2.87Å; E374-R381 IonicContact OE2-NH2 3.99Å
375P81.1Confident76.9Confident28 Ų2882.1 Ų82.118%0.18243%0.43CS..Hα-helixtrans-56.5-39.9172-26.937.1000112.7K378 V391 H392 A395P375-K378 PolarHBondContact O-N 3.38Å; P375-V391 HydrophobicContact CB-CG1 4.16Å; P375-V391 HydrophobicContact CG-CG1 4.19Å; P375-H392 PolarHBondContact O-CD2 2.99Å; P375-H392 PolarHBondContact O-NE2 2.95Å; P375-A395 HydrophobicContact CB-CB 3.87Å; P375-A395 HydrophobicContact CG-CB 3.91Å
376L85.3Confident77.2Confident37 Ų3789.3 Ų89.319%0.19446%0.455CS..Hα-helixtrans-69.9-38.8177-51.4176.5000111.4A373 E374 K378 L379 W388 H392 A395 F396 V399A373-L376 WeakPolarHBondContact O-CB 3.34Å; A373-L376 PolarHBondContact O-N 3.13Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 2.89Å; L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 2.94Å; L376-L379 PolarHBondContact O-N 3.15Å; L376-W388 HydrophobicContact CD2-CH2 3.78Å; L376-W388 HydrophobicContact CD2-CZ3 4.13Å; L376-H392 HydrophobicContact CD2-CB 4.23Å; L376-A395 HydrophobicContact CD2-CB 4.21Å; L376-A395 HydrophobicContact CG-CB 4.05Å; L376-F396 HydrophobicContact CD1-CB 4.34Å; L376-F396 HydrophobicContact CD1-CD2 4.27Å; L376-F396 HydrophobicContact CD2-CB 4.27Å; L376-V399 HydrophobicContact CD1-CG2 4.11Å
377R77.5Confident77.7Confident167 Ų16788.1 Ų88.163%0.6345%0.451SS*.Hα-helixtrans-66.9-28.9176.2-64.1-176.874.1113.91.2112.7A373 E374 L379 L380A373-R377 PolarHBondContact O-N 3.47Å; E374-R377 PolarHBondContact O-N 3.01Å; E374-R377 VanDerWaalsContact O-N 3.15Å; R377-L379 VanDerWaalsContact C-N 3.34Å; R377-L380 PolarHBondContact O-N 3.38Å
378K78.7Confident79.1Confident96 Ų9691.6 Ų91.642%0.41746%0.456SS..Hα-helixtrans-63.2-37.9175.8-77173.5-179174.30112.3E374 P375 L376 L380 R381E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.37Å; E374-K378 WeakPolarHBondContact OE1-CE 3.43Å; E374-K378 WeakPolarHBondContact OE1-CG 3.32Å; P375-K378 PolarHBondContact O-N 3.38Å; L376-K378 VanDerWaalsContact C-N 3.3Å; L376-K378 PolarHBondContact O-N 2.94Å; K378-L380 PolarHBondContact O-N 3.27Å; K378-L380 VanDerWaalsContact O-N 3.1Å; K378-R381 WeakPolarHBondContact O-CB 3.45Å; K378-R381 PolarHBondContact O-N 2.88Å; K378-R381 VanDerWaalsContact O-N 3.08Å
379L86.6Confident80.6Confident19 Ų1988.4 Ų88.410%0.09944%0.444CS..THydrogen-bonded Turntrans-61.7-16.4175.7-65.9176.1000114.1L376 R377 W386 W388L376-L379 PolarHBondContact O-N 3.15Å; R377-L379 VanDerWaalsContact C-N 3.34Å; L379-W386 HydrophobicContact CD2-CG 4.46Å; L379-W388 HydrophobicContact CD1-CE3 3.82Å; L379-W388 HydrophobicContact CD1-CZ3 4.06Å
380L80.6Confident81.9Confident149 Ų14990.5 Ų90.578%0.7846%0.455SS*.THydrogen-bonded Turntrans-95.71.4178.5-56.8178000113.5R377 K378R377-L380 PolarHBondContact O-N 3.38Å; K378-L380 PolarHBondContact O-N 3.27Å; K378-L380 VanDerWaalsContact O-N 3.1Å
381R81.2Confident83.1Confident133 Ų13390.2 Ų90.250%0.50245%0.445SS..SBendtrans-85137.7-178.1-64.6177.6-179.9-169.3-1.2111.1E374 K378 T384E374-R381 IonicContact OE1-CZ 2.75Å; E374-R381 IonicContact OE1-NH1 3.38Å; E374-R381 IonicContact OE1-NH2 2.66Å; E374-R381 PolarHBondContact OE1-NH2 2.87Å; E374-R381 IonicContact OE2-NH2 3.99Å; K378-R381 WeakPolarHBondContact O-CB 3.45Å; K378-R381 PolarHBondContact O-N 2.88Å; K378-R381 VanDerWaalsContact O-N 3.08Å; R381-T384 WeakPolarHBondContact CB-OG1 3.31Å; R381-T384 VanDerWaalsContact O-CB 3.25Å; R381-T384 WeakPolarHBondContact O-CB 3.44Å; R381-T384 PolarHBondContact O-N 2.93Å; R381-T384 PolarHBondContact O-OG1 3.35Å
382A76Confident84.4Confident95 Ų9588.4 Ų88.479%0.78543%0.432SS*.THydrogen-bonded Turntrans-51.8145.9171.900000111.8T384A382-T384 PolarHBondContact O-N 3.26Å
383N81.6Confident85.3Confident177 Ų17790.5 Ų90.595%0.94744%0.443SS*.THydrogen-bonded Turntrans58.218.3-175.9-60.7-0.1000115.6
384T82.1Confident85.9Confident64 Ų6492.9 Ų92.939%0.39345%0.45SS..  trans-93.2125.3171.3-51.70000109.6R381 A382 W386R381-T384 WeakPolarHBondContact CB-OG1 3.31Å; R381-T384 VanDerWaalsContact O-CB 3.25Å; R381-T384 WeakPolarHBondContact O-CB 3.44Å; R381-T384 PolarHBondContact O-N 2.93Å; R381-T384 PolarHBondContact O-OG1 3.35Å; A382-T384 PolarHBondContact O-N 3.26Å; T384-W386 PolarHBondContact O-N 2.8Å
385K86.1Confident86.2Confident161 Ų16191.2 Ų91.270%0.744%0.443SS*.  trans-62.2119.1168.5-176.3-165.5176.1-158.70107.9E387K385-E387 WeakPolarHBondContact CE-OE2 3.32Å; K385-E387 IonicContact NZ-OE2 3.81Å; K385-E387 PolarHBondContact NZ-OE2 3.13Å; K385-E387 PolarHBondContact O-N 2.82Å
386W93.1Very high86.6Confident164 Ų16494 Ų9462%0.62145%0.452SS*.  trans-71.8115.7176.8-164.898.2000109.3L379 T384 W388L379-W386 HydrophobicContact CD2-CG 4.46Å; T384-W386 PolarHBondContact O-N 2.8Å; W386-W388 HydrophobicContact CH2-CB 3.97Å; W386-W388 HydrophobicContact CH2-CE3 4.23Å; W386-W388 HydrophobicContact CZ2-CE3 4.02Å; W386-W388 HydrophobicContact CZ3-CB 4.14Å
387E91.4Very high86.8Confident93 Ų9397 Ų9744%0.43546%0.464SS..  trans-148.6114.5-179.8-170.6174.6139.900109.5K385 T389 H392K385-E387 WeakPolarHBondContact CE-OE2 3.32Å; K385-E387 IonicContact NZ-OE2 3.81Å; K385-E387 PolarHBondContact NZ-OE2 3.13Å; K385-E387 PolarHBondContact O-N 2.82Å; E387-T389 HydrophobicContact CG-CG2 4.06Å; E387-H392 PolarHBondContact O-CE1 3.3Å; E387-H392 PolarHBondContact O-ND1 3.22Å
388W94.1Very high87.1Confident102 Ų10293.3 Ų93.339%0.38645%0.453SS..  trans-80.9134.5175.6-162.6-87.8000110.1L376 L379 W386 H392 D393 F396L376-W388 HydrophobicContact CD2-CH2 3.78Å; L376-W388 HydrophobicContact CD2-CZ3 4.13Å; L379-W388 HydrophobicContact CD1-CE3 3.82Å; L379-W388 HydrophobicContact CD1-CZ3 4.06Å; W386-W388 HydrophobicContact CH2-CB 3.97Å; W386-W388 HydrophobicContact CH2-CE3 4.23Å; W386-W388 HydrophobicContact CZ2-CE3 4.02Å; W386-W388 HydrophobicContact CZ3-CB 4.14Å; W388-H392 HydrophobicContact CD2-CB 3.78Å; W388-H392 HydrophobicContact CE3-CB 4.09Å; W388-H392 HydrophobicContact CG-CB 4.22Å; W388-H392 HydrophobicContact CH2-CB 4.38Å; W388-H392 HydrophobicContact CZ2-CB 4.07Å; W388-H392 HydrophobicContact CZ3-CB 4.38Å; W388-D393 PolarHBondContact NE1-OD1 2.75Å; W388-F396 HydrophobicContact CH2-CB 4.26Å; W388-F396 HydrophobicContact CH2-CG 4.35Å; W388-F396 HydrophobicContact CZ2-CB 4.09Å; W388-F396 HydrophobicContact CZ2-CG 4.34Å
389T93.9Very high87.2Confident43 Ų4390.2 Ų90.226%0.26444%0.442SS..  trans-145.5171.8-174.171.30000110.1E387 V391 H392 D393E387-T389 HydrophobicContact CG-CG2 4.06Å; T389-V391 PolarHBondContact O-N 3.12Å; T389-H392 PolarHBondContact N-ND1 3.41Å; T389-H392 VanDerWaalsContact N-ND1 3.17Å; T389-H392 WeakPolarHBondContact O-CA 3.46Å; T389-H392 WeakPolarHBondContact O-CB 3.26Å; T389-H392 PolarHBondContact O-N 3.2Å; T389-H392 PolarHBondContact OG1-ND1 2.78Å; T389-D393 PolarHBondContact O-N 2.76Å; T389-D393 VanDerWaalsContact O-N 3.08Å
390H93.4Very high86.9Confident143 Ų14394.8 Ų94.866%0.66246%0.461SS*.Hα-helixtrans-53.4-29.7178.473.6-90.8000113.8H392 D393 E394H390-H392 VanDerWaalsContact C-N 3.33Å; H390-D393 PolarHBondContact O-N 3.45Å; H390-E394 WeakPolarHBondContact O-CB 3.32Å; H390-E394 WeakPolarHBondContact O-CG 3.37Å; H390-E394 PolarHBondContact O-N 3.18Å
391V88.7Confident86.7Confident70 Ų7092.6 Ų92.642%0.42445%0.447SS..Hα-helixtrans-66.3-37.6176.1-174.40000111.1P375 T389 A395P375-V391 HydrophobicContact CB-CG1 4.16Å; P375-V391 HydrophobicContact CG-CG1 4.19Å; T389-V391 PolarHBondContact O-N 3.12Å; V391-A395 VanDerWaalsContact O-CB 3.28Å; V391-A395 WeakPolarHBondContact O-CB 3.41Å; V391-A395 PolarHBondContact O-N 3.22Å
392H92.5Very high86.2Confident24 Ų2487.8 Ų87.811%0.11143%0.431CS..Hα-helixtrans-73.7-40.5177.2-56.2103.4000111.3P375 L376 E387 W388 T389 H390 A395 F396P375-H392 PolarHBondContact O-CD2 2.99Å; P375-H392 PolarHBondContact O-NE2 2.95Å; L376-H392 HydrophobicContact CD2-CB 4.23Å; E387-H392 PolarHBondContact O-CE1 3.3Å; E387-H392 PolarHBondContact O-ND1 3.22Å; W388-H392 HydrophobicContact CD2-CB 3.78Å; W388-H392 HydrophobicContact CE3-CB 4.09Å; W388-H392 HydrophobicContact CG-CB 4.22Å; W388-H392 HydrophobicContact CH2-CB 4.38Å; W388-H392 HydrophobicContact CZ2-CB 4.07Å; W388-H392 HydrophobicContact CZ3-CB 4.38Å; T389-H392 PolarHBondContact N-ND1 3.41Å; T389-H392 VanDerWaalsContact N-ND1 3.17Å; T389-H392 WeakPolarHBondContact O-CA 3.46Å; T389-H392 WeakPolarHBondContact O-CB 3.26Å; T389-H392 PolarHBondContact O-N 3.2Å; T389-H392 PolarHBondContact OG1-ND1 2.78Å; H390-H392 VanDerWaalsContact C-N 3.33Å; H392-A395 PolarHBondContact O-N 3.21Å; H392-F396 VanDerWaalsContact O-CB 3.23Å; H392-F396 WeakPolarHBondContact O-CB 3.47Å; H392-F396 PolarHBondContact O-N 2.84Å
393D92.2Very high85.8Confident69 Ų6988.4 Ų88.437%0.36942%0.42SS..Hα-helixtrans-59.2-47.8171.1-90.5-12.8000112.1W388 T389 H390 F396 K397W388-D393 PolarHBondContact NE1-OD1 2.75Å; T389-D393 PolarHBondContact O-N 2.76Å; T389-D393 VanDerWaalsContact O-N 3.08Å; H390-D393 PolarHBondContact O-N 3.45Å; D393-F396 PolarHBondContact O-N 2.69Å; D393-K397 WeakPolarHBondContact O-CB 3.38Å; D393-K397 VanDerWaalsContact O-CG 3.24Å; D393-K397 WeakPolarHBondContact O-CG 3.44Å; D393-K397 PolarHBondContact O-N 3.25Å
394E90.6Very high85.1Confident75 Ų7584.6 Ų84.635%0.3541%0.407SS..Hα-helixtrans-64.5-40.3178.5-82.5-61.6113.300112.2H390 K397 K398H390-E394 WeakPolarHBondContact O-CB 3.32Å; H390-E394 WeakPolarHBondContact O-CG 3.37Å; H390-E394 PolarHBondContact O-N 3.18Å; E394-K397 IonicContact OE1-NZ 3.01Å; E394-K397 PolarHBondContact OE1-NZ 3.39Å; E394-K398 WeakPolarHBondContact O-CB 3.48Å; E394-K398 WeakPolarHBondContact O-CD 3.29Å; E394-K398 WeakPolarHBondContact O-CG 3.45Å; E394-K398 PolarHBondContact O-N 3.02Å; E394-K398 VanDerWaalsContact OE2-CE 3.3Å; E394-K398 WeakPolarHBondContact OE2-CE 3.48Å; E394-K398 IonicContact OE2-NZ 2.61Å; E394-K398 PolarHBondContact OE2-NZ 3.26Å
395A83.4Confident84.1Confident7 Ų791 Ų916%0.05843%0.425CS..Hα-helixtrans-60.7-48.6171.900000111.3V372 P375 L376 V391 H392 K398 V399V372-A395 WeakPolarHBondContact O-CB 3.36Å; P375-A395 HydrophobicContact CB-CB 3.87Å; P375-A395 HydrophobicContact CG-CB 3.91Å; L376-A395 HydrophobicContact CD2-CB 4.21Å; L376-A395 HydrophobicContact CG-CB 4.05Å; V391-A395 VanDerWaalsContact O-CB 3.28Å; V391-A395 WeakPolarHBondContact O-CB 3.41Å; V391-A395 PolarHBondContact O-N 3.22Å; H392-A395 PolarHBondContact O-N 3.21Å; A395-K398 PolarHBondContact O-N 3.22Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 2.83Å
396F89.8Confident82.8Confident85 Ų8586.6 Ų86.637%0.37341%0.406SS..Hα-helixtrans-64.8-42.8-178.8-174.1-119.5000112.8L376 W388 H392 D393 V399 K400L376-F396 HydrophobicContact CD1-CB 4.34Å; L376-F396 HydrophobicContact CD1-CD2 4.27Å; L376-F396 HydrophobicContact CD2-CB 4.27Å; W388-F396 HydrophobicContact CH2-CB 4.26Å; W388-F396 HydrophobicContact CH2-CG 4.35Å; W388-F396 HydrophobicContact CZ2-CB 4.09Å; W388-F396 HydrophobicContact CZ2-CG 4.34Å; H392-F396 VanDerWaalsContact O-CB 3.23Å; H392-F396 WeakPolarHBondContact O-CB 3.47Å; H392-F396 PolarHBondContact O-N 2.84Å; D393-F396 PolarHBondContact O-N 2.69Å; F396-V399 PolarHBondContact O-N 3.39Å; F396-K400 HydrophobicContact CD1-CD 4.42Å; F396-K400 HydrophobicContact CE1-CD 4.11Å; F396-K400 VanDerWaalsContact CE1-CE 3.43Å; F396-K400 HydrophobicContact CZ-CD 4.37Å; F396-K400 VanDerWaalsContact CZ-CE 3.42Å; F396-K400 WeakPolarHBondContact O-CB 3.35Å; F396-K400 WeakPolarHBondContact O-CG 3.4Å; F396-K400 PolarHBondContact O-N 3.29Å
397K89.7Confident80.8Confident101 Ų10190.8 Ų90.844%0.43942%0.422SS..Hα-helixtrans-60.5-43.2172.2-71.4170-164.8168.10111.4D393 E394 K400 Q401D393-K397 WeakPolarHBondContact O-CB 3.38Å; D393-K397 VanDerWaalsContact O-CG 3.24Å; D393-K397 WeakPolarHBondContact O-CG 3.44Å; D393-K397 PolarHBondContact O-N 3.25Å; E394-K397 IonicContact OE1-NZ 3.01Å; E394-K397 PolarHBondContact OE1-NZ 3.39Å; K397-K400 PolarHBondContact O-N 3.38Å; K397-Q401 WeakPolarHBondContact O-CB 3.47Å; K397-Q401 WeakPolarHBondContact O-CG 3.19Å; K397-Q401 PolarHBondContact O-N 2.98Å
398K83.1Confident79.4Confident89 Ų8989 Ų8939%0.38741%0.413SS..Hα-helixtrans-68.1-40.5177.7-73.1164.6-172.5144.60112V372 E394 A395 Q401 L402V372-K398 HydrophobicContact CG1-CB 3.46Å; V372-K398 VanDerWaalsContact CG1-CB 3.46Å; E394-K398 WeakPolarHBondContact O-CB 3.48Å; E394-K398 WeakPolarHBondContact O-CD 3.29Å; E394-K398 WeakPolarHBondContact O-CG 3.45Å; E394-K398 PolarHBondContact O-N 3.02Å; E394-K398 VanDerWaalsContact OE2-CE 3.3Å; E394-K398 WeakPolarHBondContact OE2-CE 3.48Å; E394-K398 IonicContact OE2-NZ 2.61Å; E394-K398 PolarHBondContact OE2-NZ 3.26Å; A395-K398 PolarHBondContact O-N 3.22Å; K398-Q401 PolarHBondContact O-N 3.4Å; K398-L402 VanDerWaalsContact O-CG 3.28Å; K398-L402 WeakPolarHBondContact O-CG 3.39Å; K398-L402 PolarHBondContact O-N 3.08Å
399V81.1Confident78.3Confident32 Ų3289.3 Ų89.319%0.19442%0.422CS..Hα-helixtrans-59-48.1170.8171.70000110.4V372 A373 L376 A395 F396 Q401 L402 L403V372-V399 HydrophobicContact CG1-CG2 3.86Å; A373-V399 HydrophobicContact CB-CG2 4.1Å; L376-V399 HydrophobicContact CD1-CG2 4.11Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 2.83Å; F396-V399 PolarHBondContact O-N 3.39Å; V399-Q401 PolarHBondContact O-N 3.09Å; V399-L402 PolarHBondContact O-N 2.88Å; V399-L403 HydrophobicContact CG1-CD1 3.82Å; V399-L403 HydrophobicContact CG1-CG 4.34Å; V399-L403 WeakPolarHBondContact O-CB 3.3Å; V399-L403 VanDerWaalsContact O-CG 3.31Å; V399-L403 WeakPolarHBondContact O-CG 3.42Å; V399-L403 PolarHBondContact O-N 3.41Å
400K80.5Confident77.6Confident115 Ų11590.1 Ų90.150%0.543%0.426SS..Hα-helixtrans-57.6-47.7174.5-79.6-175.9169.2-178.10112.2F396 K397 L402 L403 S404F396-K400 HydrophobicContact CD1-CD 4.42Å; F396-K400 HydrophobicContact CE1-CD 4.11Å; F396-K400 VanDerWaalsContact CE1-CE 3.43Å; F396-K400 HydrophobicContact CZ-CD 4.37Å; F396-K400 VanDerWaalsContact CZ-CE 3.42Å; F396-K400 WeakPolarHBondContact O-CB 3.35Å; F396-K400 WeakPolarHBondContact O-CG 3.4Å; F396-K400 PolarHBondContact O-N 3.29Å; K397-K400 PolarHBondContact O-N 3.38Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.31Å; K400-L403 CarbonylContact O-C 3.49Å; K400-L403 WeakPolarHBondContact O-CA 3.46Å; K400-L403 PolarHBondContact O-N 2.94Å; K400-L403 VanDerWaalsContact O-N 3.11Å; K400-S404 WeakPolarHBondContact O-CB 3.29Å; K400-S404 PolarHBondContact O-N 2.92Å; K400-S404 PolarHBondContact O-OG 3.33Å; K400-S404 VanDerWaalsContact O-OG 3.05Å
401Q75.6Confident77.1Confident103 Ų10386.4 Ų86.448%0.48143%0.426SS..Hα-helixtrans-62.3-37.1178.1-74.8177.24.700112.8K397 K398 V399 S404 R405K397-Q401 WeakPolarHBondContact O-CB 3.47Å; K397-Q401 WeakPolarHBondContact O-CG 3.19Å; K397-Q401 PolarHBondContact O-N 2.98Å; K398-Q401 PolarHBondContact O-N 3.4Å; V399-Q401 PolarHBondContact O-N 3.09Å; Q401-S404 PolarHBondContact O-N 3.14Å; Q401-R405 VanDerWaalsContact O-CB 3.25Å; Q401-R405 WeakPolarHBondContact O-CB 3.41Å; Q401-R405 VanDerWaalsContact O-CG 3.23Å; Q401-R405 WeakPolarHBondContact O-CG 3.45Å; Q401-R405 PolarHBondContact O-N 2.69Å
402L70.6Confident77.1Confident32 Ų3288.7 Ų88.717%0.16843%0.431CS..Hα-helixtrans-63.7-45.8171.7-70.3169.9000110.8V372 K398 V399 K400 S404V372-L402 HydrophobicContact CB-CD1 4.21Å; V372-L402 HydrophobicContact CG1-CD1 3.94Å; V372-L402 HydrophobicContact CG2-CD1 4.4Å; K398-L402 VanDerWaalsContact O-CG 3.28Å; K398-L402 WeakPolarHBondContact O-CG 3.39Å; K398-L402 PolarHBondContact O-N 3.08Å; V399-L402 PolarHBondContact O-N 2.88Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.31Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.14Å
403L68Low76.8Confident107 Ų10790.9 Ų90.956%0.5644%0.443SS*.Hα-helixtrans-67.6-20.4177.6-68.7174.3000114.4V399 K400 F408V399-L403 HydrophobicContact CG1-CD1 3.82Å; V399-L403 HydrophobicContact CG1-CG 4.34Å; V399-L403 WeakPolarHBondContact O-CB 3.3Å; V399-L403 VanDerWaalsContact O-CG 3.31Å; V399-L403 WeakPolarHBondContact O-CG 3.42Å; V399-L403 PolarHBondContact O-N 3.41Å; K400-L403 CarbonylContact O-C 3.49Å; K400-L403 WeakPolarHBondContact O-CA 3.46Å; K400-L403 PolarHBondContact O-N 2.94Å; K400-L403 VanDerWaalsContact O-N 3.11Å; L403-F408 HydrophobicContact CD2-CE2 4.35Å; L403-F408 HydrophobicContact CD2-CZ 4.32Å; L403-F408 VanDerWaalsContact O-CE2 3.29Å; L403-F408 WeakPolarHBondContact O-CE2 3.16Å
404S67.4Low76.6Confident97 Ų9795.9 Ų95.968%0.67846%0.464SS*.Hα-helixtrans-102.6-19.7179.6-56.80000114.6K400 Q401 L402K400-S404 WeakPolarHBondContact O-CB 3.29Å; K400-S404 PolarHBondContact O-N 2.92Å; K400-S404 PolarHBondContact O-OG 3.33Å; K400-S404 VanDerWaalsContact O-OG 3.05Å; Q401-S404 PolarHBondContact O-N 3.14Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.14Å
405R60.5Low76.6Confident200 Ų20097.4 Ų97.476%0.75548%0.484SS*.Hα-helixtrans-84.7-38.6-180-80.3177.7172.1-171.6-1.4113.1Q401 R407Q401-R405 VanDerWaalsContact O-CB 3.25Å; Q401-R405 WeakPolarHBondContact O-CB 3.41Å; Q401-R405 VanDerWaalsContact O-CG 3.23Å; Q401-R405 WeakPolarHBondContact O-CG 3.45Å; Q401-R405 PolarHBondContact O-N 2.69Å; R405-R407 PolarHBondContact O-N 2.64Å
406E58.6Low76.8Confident67 Ų6799.8 Ų99.831%0.31350%0.495SS..SBendtrans-71.2117.5170-79.1168.6169.900107.1K369 F408K369-E406 WeakPolarHBondContact CE-OE1 3.49Å; K369-E406 IonicContact NZ-OE1 3.71Å; K369-E406 PolarHBondContact NZ-OE1 3.42Å; K369-E406 IonicContact NZ-OE2 3.68Å; K369-E406 PolarHBondContact NZ-OE2 3.39Å; E406-F408 HydrophobicContact CB-CD1 4.3Å; E406-F408 HydrophobicContact CB-CD2 3.85Å; E406-F408 HydrophobicContact CB-CE1 3.89Å; E406-F408 HydrophobicContact CB-CE2 3.34Å; E406-F408 HydrophobicContact CB-CG 4.29Å; E406-F408 HydrophobicContact CB-CZ 3.41Å; E406-F408 VanDerWaalsContact CB-CZ 3.41Å; E406-F408 HydrophobicContact CG-CZ 4.22Å; E406-F408 WeakPolarHBondContact O-CD2 3.46Å; E406-F408 WeakPolarHBondContact O-CE2 3.43Å; E406-F408 PolarHBondContact O-N 2.93Å; E406-F408 WeakPolarHBondContact OE2-CE1 3.38Å; E406-F408 WeakPolarHBondContact OE2-CZ 3.44Å
407R52.2Low76.8Confident252 Ų25299.6 Ų99.695%0.95150%0.502SS*.  trans-74.978.3172.8-80.9-178.8166.3163.9-5.3108.1R405R405-R407 PolarHBondContact O-N 2.64Å
408F61.2Low76.8Confident56 Ų5699.6 Ų99.625%0.24651%0.506CS..  trans-65.4-45.6-166.8-74.3-82.5000114.7L403 E406 P444 F447L403-F408 HydrophobicContact CD2-CE2 4.35Å; L403-F408 HydrophobicContact CD2-CZ 4.32Å; L403-F408 VanDerWaalsContact O-CE2 3.29Å; L403-F408 WeakPolarHBondContact O-CE2 3.16Å; E406-F408 HydrophobicContact CB-CD1 4.3Å; E406-F408 HydrophobicContact CB-CD2 3.85Å; E406-F408 HydrophobicContact CB-CE1 3.89Å; E406-F408 HydrophobicContact CB-CE2 3.34Å; E406-F408 HydrophobicContact CB-CG 4.29Å; E406-F408 HydrophobicContact CB-CZ 3.41Å; E406-F408 VanDerWaalsContact CB-CZ 3.41Å; E406-F408 HydrophobicContact CG-CZ 4.22Å; E406-F408 WeakPolarHBondContact O-CD2 3.46Å; E406-F408 WeakPolarHBondContact O-CE2 3.43Å; E406-F408 PolarHBondContact O-N 2.93Å; E406-F408 WeakPolarHBondContact OE2-CE1 3.38Å; E406-F408 WeakPolarHBondContact OE2-CZ 3.44Å; F408-P444 VanDerWaalsContact O-CB 3.27Å; F408-P444 WeakPolarHBondContact O-CB 3.49Å; F408-P444 VanDerWaalsContact O-CD 3.27Å; F408-P444 WeakPolarHBondContact O-CD 3.34Å; F408-P444 VanDerWaalsContact O-O 3.05Å; F408-F447 HydrophobicContact CB-CE2 4.3Å; F408-F447 HydrophobicContact CD1-CE2 4.29Å; F408-F447 HydrophobicContact CD1-CZ 4.08Å
409L70.6Confident77Confident109 Ų10997.1 Ų97.157%0.57150%0.499SS*.  trans-107.7123.8-164.3-58.6-174.5000111.9P444 F447L409-P444 CarbonylContact C-O 3.6Å; L409-P444 VanDerWaalsContact CA-O 3.27Å; L409-P444 WeakPolarHBondContact CA-O 3.4Å; L409-P444 HydrophobicContact CD2-CB 4.21Å; L409-F447 HydrophobicContact CD2-CD2 3.83Å; L409-F447 HydrophobicContact CD2-CE2 3.6Å
410V80.9Confident77.3Confident60 Ų6098.8 Ų98.836%0.36450%0.503SS..PPolyproline II helixtrans-99.7154.1163.3-64.40000109.9A443 P444 I445V410-A443 HydrophobicContact CG1-CB 3.99Å; V410-A443 HydrophobicContact CG2-CB 3.81Å; V410-P444 WeakPolarHBondContact CG2-O 3.36Å; V410-P444 PolarHBondContact N-O 2.86Å; V410-I445 HydrophobicContact CG2-CG1 4.05Å
411G83.1Confident77.4Confident64 Ų6494.5 Ų94.566%0.6649%0.487SS*.PPolyproline II helixtrans-65.6147.2168.500000110.8
412F88.6Confident77.8Confident119 Ų11991.9 Ų91.952%0.52247%0.473SS..PPolyproline II helixtrans-63.1137.4172.2179.3-111.2000110.7E414 I418 H435 I445F412-E414 HydrophobicContact CD1-CG 4.4Å; F412-E414 HydrophobicContact CE1-CG 3.54Å; F412-E414 HydrophobicContact CZ-CG 4.03Å; F412-I418 HydrophobicContact CE2-CG2 4.02Å; F412-H435 AromaticContact CD2-CE1 3.95Å; F412-H435 AromaticContact CD2-NE2 3.99Å; F412-I445 HydrophobicContact CB-CG2 3.95Å; F412-I445 HydrophobicContact CD2-CD1 4.19Å
413N84.8Confident78.3Confident70 Ų7095.1 Ų95.137%0.37449%0.49SS..  trans-141.2110.7179.8179.3-9.6000109.6S415 L416 H435N413-S415 PolarHBondContact O-N 3.48Å; N413-S415 VanDerWaalsContact O-N 3.07Å; N413-S415 WeakPolarHBondContact OD1-CB 3.5Å; N413-S415 PolarHBondContact OD1-N 3.3Å; N413-L416 HydrophobicContact CB-CD1 4.12Å; N413-L416 HydrophobicContact CB-CG 4.32Å; N413-L416 PolarHBondContact O-N 3.31Å; N413-H435 PolarHBondContact N-CE1 2.8Å; N413-H435 PolarHBondContact N-NE2 2.88Å; N413-H435 PolarHBondContact O-CE1 3.5Å
414E88.7Confident78.9Confident173 Ų17390.2 Ų90.281%0.80847%0.465SS*.THydrogen-bonded Turntrans-58.5-21.9-178.7-64.5171.1-17000114F412 L416F412-E414 HydrophobicContact CD1-CG 4.4Å; F412-E414 HydrophobicContact CE1-CG 3.54Å; F412-E414 HydrophobicContact CZ-CG 4.03Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.41Å
415S89.5Confident79.4Confident108 Ų10887.4 Ų87.476%0.75545%0.445SS*.THydrogen-bonded Turntrans-79.5-4.4177.3-52.70000113.8N413N413-S415 PolarHBondContact O-N 3.48Å; N413-S415 VanDerWaalsContact O-N 3.07Å; N413-S415 WeakPolarHBondContact OD1-CB 3.5Å; N413-S415 PolarHBondContact OD1-N 3.3Å
416L87.7Confident79.8Confident57 Ų5780 Ų8030%0.29842%0.419SS..SBendtrans-113.7133.1-178.8-67.4177.8000110.9N413 E414 H435 M437N413-L416 HydrophobicContact CB-CD1 4.12Å; N413-L416 HydrophobicContact CB-CG 4.32Å; N413-L416 PolarHBondContact O-N 3.31Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.41Å; L416-H435 HydrophobicContact CB-CB 4.3Å; L416-H435 WeakPolarHBondContact CB-ND1 3.45Å; L416-H435 HydrophobicContact CD1-CB 4.43Å; L416-H435 PolarHBondContact O-ND1 3.3Å; L416-M437 HydrophobicContact CD1-CE 4.32Å; L416-M437 HydrophobicContact CD1-SD 3.87Å
417P90Very high80.3Confident81 Ų8183 Ų8353%0.52643%0.428SS..  trans-58.3146.8176.525.3-33.9000111.1H435 D436P417-H435 CarbonylContact O-C 3.27Å; P417-H435 VanDerWaalsContact O-CA 3.29Å; P417-H435 WeakPolarHBondContact O-CA 2.83Å; P417-H435 PolarHBondContact O-ND1 2.88Å; P417-D436 HydrophobicContact CG-CB 4.12Å; P417-D436 PolarHBondContact O-N 3.29Å
418I89.3Confident81.3Confident100 Ų10073.3 Ų73.351%0.51340%0.399SS..EExtended strand (participates in β ladder)trans-108137.2178.654.7171.4000111.9F412 L433 A434 I445F412-I418 HydrophobicContact CE2-CG2 4.02Å; I418-L433 HydrophobicContact CB-CD1 4.13Å; I418-L433 HydrophobicContact CD1-CD1 4.25Å; I418-L433 HydrophobicContact CG2-CD1 4.39Å; I418-A434 CarbonylContact C-O 3.59Å; I418-A434 VanDerWaalsContact CA-O 3.29Å; I418-A434 WeakPolarHBondContact CA-O 3.34Å; I418-I445 HydrophobicContact CG2-CD1 4.16Å
419T87.8Confident82.4Confident38 Ų3870.6 Ų70.623%0.23339%0.387CS..EExtended strand (participates in β ladder)trans-107.6132.3167.8-57.70000108.4A434T419-A434 PolarHBondContact N-O 2.8Å; T419-A434 PolarHBondContact O-N 3.03Å
420F86.9Confident83Confident66 Ų6666.5 Ų66.529%0.28937%0.371SS..EExtended strand (participates in β ladder)trans-122104179.3179.4-117.8000110.1R422 L433 I469 V473 L476F420-R422 HydrophobicContact CD1-CG 4.49Å; F420-R422 VanDerWaalsContact CE1-CD 3.49Å; F420-R422 HydrophobicContact CE1-CG 4.14Å; F420-R422 VanDerWaalsContact CZ-CD 3.44Å; F420-L433 HydrophobicContact CD2-CB 4.41Å; F420-L433 HydrophobicContact CD2-CD1 4.42Å; F420-I469 HydrophobicContact CE1-CG2 4.31Å; F420-V473 HydrophobicContact CE1-CG2 4.29Å; F420-V473 HydrophobicContact CZ-CG2 4.44Å; F420-L476 HydrophobicContact CE2-CD1 3.89Å
421T84Confident83.2Confident26 Ų2663.9 Ų63.916%0.1636%0.356CS..EExtended strand (participates in β ladder)trans-104.8135.4-169.7-57.80000110.6F336 S431 V432F336-T421 HydrophobicContact CD2-CG2 3.79Å; F336-T421 HydrophobicContact CE2-CG2 3.88Å; T421-S431 VanDerWaalsContact O-CA 3.25Å; T421-S431 WeakPolarHBondContact O-CA 3.46Å; T421-V432 PolarHBondContact N-O 2.72Å; T421-V432 PolarHBondContact O-N 2.85Å
422R84Confident83.3Confident48 Ų4861.5 Ų61.518%0.18133%0.328CS..EExtended strand (participates in β ladder)trans-121.1143.6-174-65.2-41.3-83.485.8-33.7113.2F420 G430 A468 I469 S472F420-R422 HydrophobicContact CD1-CG 4.49Å; F420-R422 VanDerWaalsContact CE1-CD 3.49Å; F420-R422 HydrophobicContact CE1-CG 4.14Å; F420-R422 VanDerWaalsContact CZ-CD 3.44Å; R422-G430 PolarHBondContact NH1-O 2.88Å; R422-A468 VanDerWaalsContact CZ-O 3.29Å; R422-A468 PolarHBondContact NE-O 3.5Å; R422-A468 VanDerWaalsContact NE-O 3.12Å; R422-A468 VanDerWaalsContact NH2-C 3.32Å; R422-A468 VanDerWaalsContact NH2-CB 3.29Å; R422-A468 PolarHBondContact NH2-O 2.96Å; R422-I469 HydrophobicContact CG-CG1 3.89Å; R422-S472 PolarHBondContact NH2-OG 3.36Å
423D81.1Confident83.2Confident100 Ų10057 Ų5754%0.53531%0.309SS..EExtended strand (participates in β ladder)trans-135.6146.2158.8-178.722.2000109.7G430D423-G430 PolarHBondContact N-O 3.22Å; D423-G430 PolarHBondContact O-N 3.46Å
424A79.1Confident83.4Confident3 Ų353.7 Ų53.73%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-138.6106.4179.100000110.4I429 Q461 R464 E465 A468A424-I429 HydrophobicContact CB-CG2 4.05Å; A424-Q461 PolarHBondContact O-NE2 3.11Å; A424-R464 HydrophobicContact CB-CB 4.1Å; A424-R464 WeakPolarHBondContact CB-O 3.4Å; A424-E465 HydrophobicContact CB-CB 4.46Å; A424-E465 HydrophobicContact CB-CG 3.75Å; A424-A468 HydrophobicContact CB-CB 4.27Å
425S79.2Confident83.3Confident38 Ų3845.5 Ų45.527%0.26625%0.254SS..  trans-86.9-172.3176.176.80000111.9Y427 S428 R464S425-Y427 VanDerWaalsContact C-N 3.3Å; S425-Y427 PolarHBondContact OG-N 3.28Å; S425-S428 WeakPolarHBondContact CB-O 3.15Å; S425-S428 PolarHBondContact N-O 3Å; S425-S428 PolarHBondContact OG-N 3.13Å; S425-S428 PolarHBondContact OG-O 3.09Å; S425-S428 PolarHBondContact OG-OG 2.86Å; S425-R464 PolarHBondContact O-NH1 3.34Å
426Q68.3Low83.1Confident44 Ų4443 Ų4321%0.20623%0.232CC..SBendtrans-74.2-15.9173-71.6146.63800114.1Q283 R457Q283-Q426 WeakPolarHBondContact O-CG 3.47Å; Q283-Q426 PolarHBondContact O-NE2 2.83Å; Q283-Q426 PolarHBondContact O-OE1 3.34Å; Q426-R457 WeakPolarHBondContact O-CG 3.35Å
427Y70.4Confident82.8Confident131 Ų13143.6 Ų43.651%0.51423%0.234SC..SBendtrans-126.9-24.1-169.8-54.7-79000113.3S425 T451 M452S425-Y427 VanDerWaalsContact C-N 3.3Å; S425-Y427 PolarHBondContact OG-N 3.28Å; Y427-T451 CarbonylContact O-C 3.56Å; Y427-T451 WeakPolarHBondContact O-CA 3.25Å; Y427-T451 VanDerWaalsContact O-CG2 3.3Å; Y427-T451 WeakPolarHBondContact O-CG2 3.48Å; Y427-M452 PolarHBondContact O-N 2.94Å
428S72.5Confident82.2Confident48 Ų4841.8 Ų41.834%0.33623%0.23SC..EExtended strand (participates in β ladder)trans-152.1147.4-174.256.60000111.6S425 R450S425-S428 WeakPolarHBondContact CB-O 3.15Å; S425-S428 PolarHBondContact N-O 3Å; S425-S428 PolarHBondContact OG-N 3.13Å; S425-S428 PolarHBondContact OG-O 3.09Å; S425-S428 PolarHBondContact OG-OG 2.86Å; S428-R450 CarbonylContact C-O 3.47Å; S428-R450 WeakPolarHBondContact CA-O 3.39Å; S428-R450 VanDerWaalsContact CB-O 3.29Å; S428-R450 WeakPolarHBondContact CB-O 3.39Å
429I83.7Confident81.4Confident0 Ų047.7 Ų47.70%025%0.252CS..EExtended strand (participates in β ladder)trans-101.9145.3168.751.9166.7000109.7A424 F448 S449 R450 M452 A468 S471A424-I429 HydrophobicContact CB-CG2 4.05Å; I429-F448 HydrophobicContact CD1-CE1 3.98Å; I429-F448 HydrophobicContact CG1-CE1 4.32Å; I429-S449 VanDerWaalsContact O-CA 3.23Å; I429-S449 WeakPolarHBondContact O-CA 3.24Å; I429-S449 WeakPolarHBondContact O-CB 3.22Å; I429-R450 HydrophobicContact CD1-CG 3.89Å; I429-R450 HydrophobicContact CG1-CG 3.72Å; I429-R450 PolarHBondContact N-O 3.33Å; I429-R450 PolarHBondContact O-N 2.82Å; I429-M452 HydrophobicContact CG2-CE 4.38Å; I429-M452 HydrophobicContact CG2-CG 4.27Å; I429-M452 HydrophobicContact CG2-SD 4.06Å; I429-A468 HydrophobicContact CB-CB 3.97Å; I429-A468 HydrophobicContact CG2-CB 3.77Å; I429-S471 VanDerWaalsContact CD1-CB 3.46Å; I429-S471 WeakPolarHBondContact CD1-OG 3.37Å
430G82.4Confident80.7Confident23 Ų2356.6 Ų56.624%0.23728%0.281CS..EExtended strand (participates in β ladder)trans-145.7137.5-178.700000112.6R422 D423 F448R422-G430 PolarHBondContact NH1-O 2.88Å; D423-G430 PolarHBondContact N-O 3.22Å; D423-G430 PolarHBondContact O-N 3.46Å; G430-F448 CarbonylContact C-O 3.6Å; G430-F448 WeakPolarHBondContact CA-O 3.36Å
431S85.5Confident80.1Confident5 Ų554.3 Ų54.34%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-136.2152.7-17645.40000112.5T421 F448 S472T421-S431 VanDerWaalsContact O-CA 3.25Å; T421-S431 WeakPolarHBondContact O-CA 3.46Å; S431-F448 PolarHBondContact N-O 3.49Å; S431-F448 PolarHBondContact O-N 2.85Å; S431-F448 VanDerWaalsContact O-N 3.07Å; S431-F448 WeakPolarHBondContact OG-CB 3.22Å; S431-F448 PolarHBondContact OG-O 3.43Å; S431-S472 VanDerWaalsContact CB-OG 3.32Å; S431-S472 WeakPolarHBondContact CB-OG 3.42Å; S431-S472 WeakPolarHBondContact OG-CB 3.49Å; S431-S472 PolarHBondContact OG-OG 3.45Å
432V86.2Confident80Confident14 Ų1454.9 Ų54.99%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-122.1125.9165.8-164.70000108.1T421 A434 P444 F447T421-V432 PolarHBondContact N-O 2.72Å; T421-V432 PolarHBondContact O-N 2.85Å; V432-A434 HydrophobicContact CG1-CB 4.48Å; V432-P444 HydrophobicContact CG1-CB 3.82Å; V432-P444 HydrophobicContact CG1-CG 4.14Å; V432-F447 HydrophobicContact CB-CD1 4.31Å; V432-F447 HydrophobicContact CB-CE1 4.22Å; V432-F447 HydrophobicContact CG1-CD1 4.03Å; V432-F447 HydrophobicContact CG1-CE1 3.65Å; V432-F447 HydrophobicContact CG1-CZ 4.17Å; V432-F447 HydrophobicContact CG2-CD1 3.76Å; V432-F447 HydrophobicContact CG2-CE1 3.61Å
433L87.1Confident79.9Confident23 Ų2353.4 Ų53.412%0.1228%0.275CS..EExtended strand (participates in β ladder)trans-96128.6160.5176.265.1000106.8I418 F420 I445 A446 L476I418-L433 HydrophobicContact CB-CD1 4.13Å; I418-L433 HydrophobicContact CD1-CD1 4.25Å; I418-L433 HydrophobicContact CG2-CD1 4.39Å; F420-L433 HydrophobicContact CD2-CB 4.41Å; F420-L433 HydrophobicContact CD2-CD1 4.42Å; L433-I445 HydrophobicContact CD2-CD1 4.49Å; L433-I445 HydrophobicContact CG-CB 4.4Å; L433-I445 HydrophobicContact CG-CD1 3.96Å; L433-I445 PolarHBondContact O-N 2.88Å; L433-A446 PolarHBondContact N-O 3.31Å; L433-A446 PolarHBondContact O-N 2.86Å; L433-L476 HydrophobicContact CB-CD1 3.94Å; L433-L476 HydrophobicContact CD2-CD1 4.42Å
434A87.8Confident80Confident1 Ų150 Ų501%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-140.4157.9-176.300000111.1I418 T419 V432 E442 A443 I445I418-A434 CarbonylContact C-O 3.59Å; I418-A434 VanDerWaalsContact CA-O 3.29Å; I418-A434 WeakPolarHBondContact CA-O 3.34Å; T419-A434 PolarHBondContact N-O 2.8Å; T419-A434 PolarHBondContact O-N 3.03Å; V432-A434 HydrophobicContact CG1-CB 4.48Å; A434-E442 HydrophobicContact CB-CB 4.1Å; A434-A443 CarbonylContact C-O 3.53Å; A434-A443 VanDerWaalsContact CA-O 3.25Å; A434-A443 WeakPolarHBondContact CA-O 3.22Å; A434-A443 WeakPolarHBondContact CB-O 3.47Å; A434-I445 VanDerWaalsContact C-CD1 3.4Å
435H87.4Confident80.3Confident1 Ų151 Ų511%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-84.9138.5162.4-76.8-54.8000110.5F412 N413 L416 P417 M437 E442 A443F412-H435 AromaticContact CD2-CE1 3.95Å; F412-H435 AromaticContact CD2-NE2 3.99Å; N413-H435 PolarHBondContact N-CE1 2.8Å; N413-H435 PolarHBondContact N-NE2 2.88Å; N413-H435 PolarHBondContact O-CE1 3.5Å; L416-H435 HydrophobicContact CB-CB 4.3Å; L416-H435 WeakPolarHBondContact CB-ND1 3.45Å; L416-H435 HydrophobicContact CD1-CB 4.43Å; L416-H435 PolarHBondContact O-ND1 3.3Å; P417-H435 CarbonylContact O-C 3.27Å; P417-H435 VanDerWaalsContact O-CA 3.29Å; P417-H435 WeakPolarHBondContact O-CA 2.83Å; P417-H435 PolarHBondContact O-ND1 2.88Å; H435-M437 HydrophobicContact CB-SD 3.96Å; H435-M437 PolarHBondContact O-N 3.36Å; H435-E442 CarbonylContact O-C 3.59Å; H435-E442 WeakPolarHBondContact O-CA 3.12Å; H435-A443 PolarHBondContact N-O 3.31Å; H435-A443 PolarHBondContact O-N 2.79Å
436D85.7Confident80.5Confident56 Ų5650.4 Ų50.430%0.29926%0.261SS..EExtended strand (participates in β ladder)trans-80.2109.1165.1-1789000109.3P417 G438P417-D436 HydrophobicContact CG-CB 4.12Å; P417-D436 PolarHBondContact O-N 3.29Å; D436-G438 PolarHBondContact O-N 3.15Å; D436-G438 VanDerWaalsContact OD1-CA 3.32Å; D436-G438 WeakPolarHBondContact OD1-CA 3.43Å; D436-G438 PolarHBondContact OD1-N 3.33Å
437M80.6Confident81.2Confident69 Ų6953.4 Ų53.434%0.3427%0.273SS..  trans-92.919.8176.4-48.9-67.4-69.500111.6L416 H435 K439 R440 G441 A443L416-M437 HydrophobicContact CD1-CE 4.32Å; L416-M437 HydrophobicContact CD1-SD 3.87Å; H435-M437 HydrophobicContact CB-SD 3.96Å; H435-M437 PolarHBondContact O-N 3.36Å; M437-K439 PolarHBondContact O-N 3.35Å; M437-R440 HydrophobicContact CB-CB 3.76Å; M437-R440 PolarHBondContact O-N 3.31Å; M437-R440 VanDerWaalsContact O-N 3.1Å; M437-G441 WeakPolarHBondContact CA-O 3.49Å; M437-G441 WeakPolarHBondContact CB-O 3.06Å; M437-G441 PolarHBondContact N-O 3.09Å; M437-A443 HydrophobicContact CG-CB 3.72Å; M437-A443 HydrophobicContact SD-CB 4.33Å
438G77.8Confident81.8Confident43 Ų4348.7 Ų48.744%0.44326%0.255SS..G310 helixtrans57.2-114.5-179.700000111.8D436 R440 G441D436-G438 PolarHBondContact O-N 3.15Å; D436-G438 VanDerWaalsContact OD1-CA 3.32Å; D436-G438 WeakPolarHBondContact OD1-CA 3.43Å; D436-G438 PolarHBondContact OD1-N 3.33Å; G438-R440 PolarHBondContact O-N 3.11Å; G438-R440 VanDerWaalsContact O-N 3.09Å; G438-G441 PolarHBondContact O-N 3.07Å
439K72.6Confident82.4Confident224 Ų22450.9 Ų50.997%0.97427%0.271SS*.G310 helixtrans-62-17.4179.4-67.7-173.7-179.6178.90114.2M437M437-K439 PolarHBondContact O-N 3.35Å
440R72.5Confident82.3Confident226 Ų22654.2 Ų54.285%0.85328%0.283SS*.G310 helixtrans-85.8-7176.1-68.6-178.4177-174.80.7113.4M437 G438M437-R440 HydrophobicContact CB-CB 3.76Å; M437-R440 PolarHBondContact O-N 3.31Å; M437-R440 VanDerWaalsContact O-N 3.1Å; G438-R440 PolarHBondContact O-N 3.11Å; G438-R440 VanDerWaalsContact O-N 3.09Å
441G74.3Confident82.1Confident18 Ų1857.7 Ų57.719%0.18630%0.3CS..  trans84.5-168.1-176.100000113M437 G438M437-G441 WeakPolarHBondContact CA-O 3.49Å; M437-G441 WeakPolarHBondContact CB-O 3.06Å; M437-G441 PolarHBondContact N-O 3.09Å; G438-G441 PolarHBondContact O-N 3.07Å
442E81.1Confident81.8Confident38 Ų3857.6 Ų57.618%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-84.9136.5-179.8-72.9159.5-136.800111.1R338 A434 H435R338-E442 IonicContact NE-OE1 2.69Å; R338-E442 PolarHBondContact NE-OE1 3.16Å; A434-E442 HydrophobicContact CB-CB 4.1Å; H435-E442 CarbonylContact O-C 3.59Å; H435-E442 WeakPolarHBondContact O-CA 3.12Å
443A82.3Confident81.4Confident17 Ų1759.9 Ų59.914%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-112.6103.2175.300000109.4V410 A434 H435 M437V410-A443 HydrophobicContact CG1-CB 3.99Å; V410-A443 HydrophobicContact CG2-CB 3.81Å; A434-A443 CarbonylContact C-O 3.53Å; A434-A443 VanDerWaalsContact CA-O 3.25Å; A434-A443 WeakPolarHBondContact CA-O 3.22Å; A434-A443 WeakPolarHBondContact CB-O 3.47Å; H435-A443 PolarHBondContact N-O 3.31Å; H435-A443 PolarHBondContact O-N 2.79Å; M437-A443 HydrophobicContact CG-CB 3.72Å; M437-A443 HydrophobicContact SD-CB 4.33Å
444P83.7Confident80.7Confident27 Ų2763.3 Ų63.318%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-56.7141.3-178.8-23.131.4000112.9F408 L409 V410 V432 F447F408-P444 VanDerWaalsContact O-CB 3.27Å; F408-P444 WeakPolarHBondContact O-CB 3.49Å; F408-P444 VanDerWaalsContact O-CD 3.27Å; F408-P444 WeakPolarHBondContact O-CD 3.34Å; F408-P444 VanDerWaalsContact O-O 3.05Å; L409-P444 CarbonylContact C-O 3.6Å; L409-P444 VanDerWaalsContact CA-O 3.27Å; L409-P444 WeakPolarHBondContact CA-O 3.4Å; L409-P444 HydrophobicContact CD2-CB 4.21Å; V410-P444 WeakPolarHBondContact CG2-O 3.36Å; V410-P444 PolarHBondContact N-O 2.86Å; V432-P444 HydrophobicContact CG1-CB 3.82Å; V432-P444 HydrophobicContact CG1-CG 4.14Å; P444-F447 HydrophobicContact CB-CE2 3.97Å; P444-F447 HydrophobicContact CB-CZ 3.76Å; P444-F447 HydrophobicContact CG-CZ 4.01Å
445I84.5Confident80.4Confident25 Ų2567.7 Ų67.713%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-107.4-45.8176.8-60.2149.8000108.9V410 F412 I418 L433 A434V410-I445 HydrophobicContact CG2-CG1 4.05Å; F412-I445 HydrophobicContact CB-CG2 3.95Å; F412-I445 HydrophobicContact CD2-CD1 4.19Å; I418-I445 HydrophobicContact CG2-CD1 4.16Å; L433-I445 HydrophobicContact CD2-CD1 4.49Å; L433-I445 HydrophobicContact CG-CB 4.4Å; L433-I445 HydrophobicContact CG-CD1 3.96Å; L433-I445 PolarHBondContact O-N 2.88Å; A434-I445 VanDerWaalsContact C-CD1 3.4Å
446A84.3Confident80.1Confident26 Ų2668.8 Ų68.822%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-150147.2-178.700000111.6L433 L476L433-A446 PolarHBondContact N-O 3.31Å; L433-A446 PolarHBondContact O-N 2.86Å; A446-L476 HydrophobicContact CB-CD2 3.72Å
447F83.4Confident79.9Confident107 Ų10771 Ų7147%0.46937%0.373SS..EExtended strand (participates in β ladder)trans-110.6138.4168.8-65-85.8000109F408 L409 V432 P444F408-F447 HydrophobicContact CB-CE2 4.3Å; F408-F447 HydrophobicContact CD1-CE2 4.29Å; F408-F447 HydrophobicContact CD1-CZ 4.08Å; L409-F447 HydrophobicContact CD2-CD2 3.83Å; L409-F447 HydrophobicContact CD2-CE2 3.6Å; V432-F447 HydrophobicContact CB-CD1 4.31Å; V432-F447 HydrophobicContact CB-CE1 4.22Å; V432-F447 HydrophobicContact CG1-CD1 4.03Å; V432-F447 HydrophobicContact CG1-CE1 3.65Å; V432-F447 HydrophobicContact CG1-CZ 4.17Å; V432-F447 HydrophobicContact CG2-CD1 3.76Å; V432-F447 HydrophobicContact CG2-CE1 3.61Å; P444-F447 HydrophobicContact CB-CE2 3.97Å; P444-F447 HydrophobicContact CB-CZ 3.76Å; P444-F447 HydrophobicContact CG-CZ 4.01Å
448F82.9Confident80Confident31 Ų3173.1 Ų73.114%0.13639%0.386CS..EExtended strand (participates in β ladder)trans-126.8140.1166.1163.3-78.4000109.1I429 G430 S431 R450 S472 K475 L476I429-F448 HydrophobicContact CD1-CE1 3.98Å; I429-F448 HydrophobicContact CG1-CE1 4.32Å; G430-F448 CarbonylContact C-O 3.6Å; G430-F448 WeakPolarHBondContact CA-O 3.36Å; S431-F448 PolarHBondContact N-O 3.49Å; S431-F448 PolarHBondContact O-N 2.85Å; S431-F448 VanDerWaalsContact O-N 3.07Å; S431-F448 WeakPolarHBondContact OG-CB 3.22Å; S431-F448 PolarHBondContact OG-O 3.43Å; F448-R450 HydrophobicContact CE1-CG 3.99Å; F448-R450 HydrophobicContact CZ-CB 4.16Å; F448-R450 HydrophobicContact CZ-CG 3.71Å; F448-S472 VanDerWaalsContact CD1-CB 3.44Å; F448-S472 WeakPolarHBondContact CD1-OG 3.47Å; F448-S472 WeakPolarHBondContact CE1-OG 3.36Å; F448-K475 HydrophobicContact CD2-CB 3.71Å; F448-K475 HydrophobicContact CD2-CG 3.57Å; F448-K475 HydrophobicContact CE2-CB 3.61Å; F448-K475 HydrophobicContact CE2-CG 3.67Å; F448-L476 HydrophobicContact CB-CD2 4.4Å
449S84.8Confident80.3Confident95 Ų9575.5 Ų75.566%0.66438%0.382SS*.EExtended strand (participates in β ladder)trans-149.3147.916665.60000109.7I429I429-S449 VanDerWaalsContact O-CA 3.23Å; I429-S449 WeakPolarHBondContact O-CA 3.24Å; I429-S449 WeakPolarHBondContact O-CB 3.22Å
450R82.3Confident80.9Confident69 Ų6967.1 Ų67.126%0.2636%0.355SS..EExtended strand (participates in β ladder)trans-146.6150.1168.467.9174-178.189.3-3.8111.4S428 I429 F448 E456 S471S428-R450 CarbonylContact C-O 3.47Å; S428-R450 WeakPolarHBondContact CA-O 3.39Å; S428-R450 VanDerWaalsContact CB-O 3.29Å; S428-R450 WeakPolarHBondContact CB-O 3.39Å; I429-R450 HydrophobicContact CD1-CG 3.89Å; I429-R450 HydrophobicContact CG1-CG 3.72Å; I429-R450 PolarHBondContact N-O 3.33Å; I429-R450 PolarHBondContact O-N 2.82Å; F448-R450 HydrophobicContact CE1-CG 3.99Å; F448-R450 HydrophobicContact CZ-CB 4.16Å; F448-R450 HydrophobicContact CZ-CG 3.71Å; R450-E456 IonicContact CZ-OE1 3.97Å; R450-E456 IonicContact CZ-OE2 4Å; R450-E456 VanDerWaalsContact NH1-CD 3.34Å; R450-E456 IonicContact NH1-OE1 2.74Å; R450-E456 PolarHBondContact NH1-OE1 3.33Å; R450-E456 VanDerWaalsContact NH1-OE1 3.12Å; R450-E456 IonicContact NH1-OE2 2.74Å; R450-E456 PolarHBondContact NH1-OE2 2.96Å; R450-E456 IonicContact NH2-OE1 2.93Å; R450-E456 PolarHBondContact NH2-OE1 2.82Å; R450-E456 IonicContact NH2-OE2 3.35Å; R450-S471 PolarHBondContact NE-OG 3.14Å; R450-S471 PolarHBondContact NH2-OG 3.23Å
451T77.2Confident81.5Confident97 Ų9760.3 Ų60.360%0.59533%0.333SS*.EExtended strand (participates in β ladder)trans-67.2141.1165.2-49.20000109.1Y427Y427-T451 CarbonylContact O-C 3.56Å; Y427-T451 WeakPolarHBondContact O-CA 3.25Å; Y427-T451 VanDerWaalsContact O-CG2 3.3Å; Y427-T451 WeakPolarHBondContact O-CG2 3.48Å
452M78.8Confident82.1Confident2 Ų265.3 Ų65.31%0.0135%0.354CS..PPolyproline II helixtrans-81.9145177-60170.779.100110Y427 I429 E456 R457 R464 L467Y427-M452 PolarHBondContact O-N 2.94Å; I429-M452 HydrophobicContact CG2-CE 4.38Å; I429-M452 HydrophobicContact CG2-CG 4.27Å; I429-M452 HydrophobicContact CG2-SD 4.06Å; M452-E456 WeakPolarHBondContact CA-OE2 3.44Å; M452-E456 HydrophobicContact CB-CB 4.01Å; M452-E456 HydrophobicContact CE-CB 4.04Å; M452-E456 VanDerWaalsContact CE-O 3.28Å; M452-E456 WeakPolarHBondContact CE-O 3.48Å; M452-R457 HydrophobicContact CB-CG 3.84Å; M452-R457 VanDerWaalsContact O-CZ 3.29Å; M452-R457 PolarHBondContact O-NE 3.22Å; M452-R457 PolarHBondContact O-NH2 3.43Å; M452-R464 HydrophobicContact CE-CB 3.94Å; M452-R464 VanDerWaalsContact CE-CD 3.43Å; M452-R464 HydrophobicContact CE-CG 3.39Å; M452-L467 HydrophobicContact CE-CD2 3.67Å
453T78.2Confident82.5Confident63 Ų6367.1 Ų67.139%0.38737%0.365SS..PPolyproline II helixtrans-65.9161.8173.171.30000110.8T455 E456 R457T453-T455 PolarHBondContact O-N 2.75Å; T453-E456 PolarHBondContact N-OE2 2.94Å; T453-E456 PolarHBondContact O-N 2.89Å; T453-E456 VanDerWaalsContact OG1-CG 3.27Å; T453-E456 WeakPolarHBondContact OG1-CG 3.43Å; T453-E456 PolarHBondContact OG1-N 3.44Å; T453-E456 PolarHBondContact OG1-OE2 3.48Å; T453-R457 WeakPolarHBondContact O-CG 3.28Å; T453-R457 PolarHBondContact O-N 3.4Å; T453-R457 VanDerWaalsContact O-N 3.1Å
454P71.9Confident82.6Confident95 Ų9567.2 Ų67.262%0.61736%0.361SS*.THydrogen-bonded Turntrans-54.5-35.1175.9-27.136.5000113.6N458P454-N458 PolarHBondContact O-ND2 3.42Å
455T81.8Confident82.8Confident93 Ų9369.9 Ų69.957%0.57137%0.372SS*.THydrogen-bonded Turntrans-67.6-50.9176.2-47.70000111.5T453 R457 N458 Y459T453-T455 PolarHBondContact O-N 2.75Å; T455-R457 PolarHBondContact O-N 2.96Å; T455-N458 WeakPolarHBondContact O-CB 3.43Å; T455-N458 PolarHBondContact O-N 3.39Å; T455-N458 VanDerWaalsContact O-N 3.09Å; T455-Y459 HydrophobicContact CG2-CE1 4.48Å
456E82.4Confident83.1Confident23 Ų2371 Ų7111%0.10739%0.385CS..G310 helixtrans-62.7-26.7-179-69171.1148.100113.2R450 M452 T453 N458 Y459 L467R450-E456 IonicContact CZ-OE1 3.97Å; R450-E456 IonicContact CZ-OE2 4Å; R450-E456 VanDerWaalsContact NH1-CD 3.34Å; R450-E456 IonicContact NH1-OE1 2.74Å; R450-E456 PolarHBondContact NH1-OE1 3.33Å; R450-E456 VanDerWaalsContact NH1-OE1 3.12Å; R450-E456 IonicContact NH1-OE2 2.74Å; R450-E456 PolarHBondContact NH1-OE2 2.96Å; R450-E456 IonicContact NH2-OE1 2.93Å; R450-E456 PolarHBondContact NH2-OE1 2.82Å; R450-E456 IonicContact NH2-OE2 3.35Å; M452-E456 WeakPolarHBondContact CA-OE2 3.44Å; M452-E456 HydrophobicContact CB-CB 4.01Å; M452-E456 HydrophobicContact CE-CB 4.04Å; M452-E456 VanDerWaalsContact CE-O 3.28Å; M452-E456 WeakPolarHBondContact CE-O 3.48Å; T453-E456 PolarHBondContact N-OE2 2.94Å; T453-E456 PolarHBondContact O-N 2.89Å; T453-E456 VanDerWaalsContact OG1-CG 3.27Å; T453-E456 WeakPolarHBondContact OG1-CG 3.43Å; T453-E456 PolarHBondContact OG1-N 3.44Å; T453-E456 PolarHBondContact OG1-OE2 3.48Å; E456-N458 PolarHBondContact O-N 2.96Å; E456-Y459 HydrophobicContact CB-CD2 4.34Å; E456-Y459 HydrophobicContact CB-CE2 4.1Å; E456-Y459 HydrophobicContact CG-CE2 3.91Å; E456-Y459 VanDerWaalsContact O-CB 3.26Å; E456-Y459 WeakPolarHBondContact O-CB 3.47Å; E456-Y459 VanDerWaalsContact O-CG 3.22Å; E456-Y459 PolarHBondContact O-N 3.04Å; E456-L467 HydrophobicContact CB-CD2 3.8Å; E456-L467 HydrophobicContact CG-CD2 3.73Å
457R80.3Confident83.4Confident103 Ų10371.2 Ų71.239%0.38938%0.382SS..G310 helixtrans-68.4-17.3176.8-69.6175.3-155.11736.7113.8Q426 M452 T453 T455 Y459Q426-R457 WeakPolarHBondContact O-CG 3.35Å; M452-R457 HydrophobicContact CB-CG 3.84Å; M452-R457 VanDerWaalsContact O-CZ 3.29Å; M452-R457 PolarHBondContact O-NE 3.22Å; M452-R457 PolarHBondContact O-NH2 3.43Å; T453-R457 WeakPolarHBondContact O-CG 3.28Å; T453-R457 PolarHBondContact O-N 3.4Å; T453-R457 VanDerWaalsContact O-N 3.1Å; T455-R457 PolarHBondContact O-N 2.96Å; R457-Y459 VanDerWaalsContact C-N 3.31Å
458N82.4Confident83.6Confident113 Ų11366.1 Ų66.160%0.60436%0.36SS*.G310 helixtrans-83.4-9.7177.5-60.3-32.9000112.9P454 T455 E456P454-N458 PolarHBondContact O-ND2 3.42Å; T455-N458 WeakPolarHBondContact O-CB 3.43Å; T455-N458 PolarHBondContact O-N 3.39Å; T455-N458 VanDerWaalsContact O-N 3.09Å; E456-N458 PolarHBondContact O-N 2.96Å
459Y84.8Confident84Confident93 Ų9368.8 Ų68.837%0.36537%0.374SS..SBendtrans-66151.7-177.5-66.80.7000112.2T455 E456 R457 D463 R464 L467T455-Y459 HydrophobicContact CG2-CE1 4.48Å; E456-Y459 HydrophobicContact CB-CD2 4.34Å; E456-Y459 HydrophobicContact CB-CE2 4.1Å; E456-Y459 HydrophobicContact CG-CE2 3.91Å; E456-Y459 VanDerWaalsContact O-CB 3.26Å; E456-Y459 WeakPolarHBondContact O-CB 3.47Å; E456-Y459 VanDerWaalsContact O-CG 3.22Å; E456-Y459 PolarHBondContact O-N 3.04Å; R457-Y459 VanDerWaalsContact C-N 3.31Å; Y459-D463 HydrophobicContact CD2-CB 4.38Å; Y459-D463 HydrophobicContact CG-CB 4.34Å; Y459-R464 PolarHBondContact O-NE 2.86Å; Y459-L467 HydrophobicContact CD2-CD2 4.06Å; Y459-L467 HydrophobicContact CE2-CD1 4.47Å; Y459-L467 HydrophobicContact CE2-CD2 4.02Å
460A86.2Confident84.3Confident49 Ų4967.8 Ų67.841%0.40536%0.364SS..  trans-62.8164.117500000110.9I462 D463 R464A460-I462 VanDerWaalsContact C-N 3.3Å; A460-I462 HydrophobicContact CB-CG2 4.26Å; A460-I462 PolarHBondContact O-N 3.33Å; A460-D463 HydrophobicContact CB-CB 4.45Å; A460-D463 WeakPolarHBondContact CB-OD2 3.43Å; A460-D463 PolarHBondContact N-OD2 3.46Å; A460-D463 PolarHBondContact O-N 3.29Å; A460-R464 VanDerWaalsContact O-CG 3.3Å; A460-R464 WeakPolarHBondContact O-CG 3.39Å; A460-R464 PolarHBondContact O-N 2.98Å
461Q84Confident84.6Confident82 Ų8265.2 Ų65.238%0.38336%0.357SS..Hα-helixtrans-59.1-43.6-178.3-178.761.735.200111.7A424 R464 E465A424-Q461 PolarHBondContact O-NE2 3.11Å; Q461-R464 PolarHBondContact O-N 3.04Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.17Å; Q461-E465 PolarHBondContact NE2-OE1 3.2Å; Q461-E465 WeakPolarHBondContact O-CG 3.22Å; Q461-E465 PolarHBondContact O-N 3.25Å
462I86.9Confident85.1Confident124 Ų12460.6 Ų60.664%0.63633%0.329SS*.Hα-helixtrans-62-43.5176.2-168167.1000112.4A460 R464 E465 A466A460-I462 VanDerWaalsContact C-N 3.3Å; A460-I462 HydrophobicContact CB-CG2 4.26Å; A460-I462 PolarHBondContact O-N 3.33Å; I462-R464 VanDerWaalsContact C-N 3.29Å; I462-R464 PolarHBondContact O-N 2.74Å; I462-E465 WeakPolarHBondContact O-CB 3.4Å; I462-E465 PolarHBondContact O-N 3.01Å; I462-E465 VanDerWaalsContact O-N 3.12Å; I462-A466 PolarHBondContact O-N 2.91Å
463D89.2Confident85.6Confident75 Ų7564.4 Ų64.440%0.40135%0.352SS..Hα-helixtrans-62.9-36174.9-56.7-24.2000112.1Y459 A460 E465 A466 L467Y459-D463 HydrophobicContact CD2-CB 4.38Å; Y459-D463 HydrophobicContact CG-CB 4.34Å; A460-D463 HydrophobicContact CB-CB 4.45Å; A460-D463 WeakPolarHBondContact CB-OD2 3.43Å; A460-D463 PolarHBondContact N-OD2 3.46Å; A460-D463 PolarHBondContact O-N 3.29Å; D463-E465 VanDerWaalsContact C-N 3.31Å; D463-A466 PolarHBondContact O-N 3.33Å; D463-L467 WeakPolarHBondContact O-CB 3.12Å; D463-L467 PolarHBondContact O-N 3.49Å
464R85.1Confident86.1Confident19 Ų1968.2 Ų68.27%0.07236%0.363CS..Hα-helixtrans-69.2-32.2176.4-69-169.5-88.1104.510.7111.2A424 S425 M452 Y459 A460 Q461 I462 A468A424-R464 HydrophobicContact CB-CB 4.1Å; A424-R464 WeakPolarHBondContact CB-O 3.4Å; S425-R464 PolarHBondContact O-NH1 3.34Å; M452-R464 HydrophobicContact CE-CB 3.94Å; M452-R464 VanDerWaalsContact CE-CD 3.43Å; M452-R464 HydrophobicContact CE-CG 3.39Å; Y459-R464 PolarHBondContact O-NE 2.86Å; A460-R464 VanDerWaalsContact O-CG 3.3Å; A460-R464 WeakPolarHBondContact O-CG 3.39Å; A460-R464 PolarHBondContact O-N 2.98Å; Q461-R464 PolarHBondContact O-N 3.04Å; I462-R464 VanDerWaalsContact C-N 3.29Å; I462-R464 PolarHBondContact O-N 2.74Å; R464-A468 VanDerWaalsContact O-CB 3.32Å; R464-A468 WeakPolarHBondContact O-CB 3.36Å; R464-A468 PolarHBondContact O-N 3.37Å
465E88Confident86.7Confident84 Ų8468.4 Ų68.439%0.39335%0.354SS..Hα-helixtrans-72.5-41.5172.2-70.4166.1-15900112A424 Q461 I462 D463 A468 I469A424-E465 HydrophobicContact CB-CB 4.46Å; A424-E465 HydrophobicContact CB-CG 3.75Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.17Å; Q461-E465 PolarHBondContact NE2-OE1 3.2Å; Q461-E465 WeakPolarHBondContact O-CG 3.22Å; Q461-E465 PolarHBondContact O-N 3.25Å; I462-E465 WeakPolarHBondContact O-CB 3.4Å; I462-E465 PolarHBondContact O-N 3.01Å; I462-E465 VanDerWaalsContact O-N 3.12Å; D463-E465 VanDerWaalsContact C-N 3.31Å; E465-A468 WeakPolarHBondContact O-CA 3.33Å; E465-A468 WeakPolarHBondContact O-CB 3.43Å; E465-A468 PolarHBondContact O-N 2.81Å; E465-A468 VanDerWaalsContact O-N 3.17Å; E465-I469 PolarHBondContact O-N 3.34Å
466A90.9Very high86.8Confident49 Ų4966.3 Ų66.341%0.40534%0.339SS..Hα-helixtrans-64.5-46.3173.100000112.2I462 D463 A468 I469 V470I462-A466 PolarHBondContact O-N 2.91Å; D463-A466 PolarHBondContact O-N 3.33Å; A466-A468 PolarHBondContact O-N 3.02Å; A466-I469 WeakPolarHBondContact O-CB 3.35Å; A466-I469 PolarHBondContact O-N 3.36Å; A466-V470 WeakPolarHBondContact O-CG2 3.25Å; A466-V470 PolarHBondContact O-N 3.44Å
467L90Very high86.6Confident30 Ų3073 Ų7316%0.15737%0.37CS..Hα-helixtrans-56.3-36171.5178.268.8000111.3M452 E456 Y459 D463 S471M452-L467 HydrophobicContact CE-CD2 3.67Å; E456-L467 HydrophobicContact CB-CD2 3.8Å; E456-L467 HydrophobicContact CG-CD2 3.73Å; Y459-L467 HydrophobicContact CD2-CD2 4.06Å; Y459-L467 HydrophobicContact CE2-CD1 4.47Å; Y459-L467 HydrophobicContact CE2-CD2 4.02Å; D463-L467 WeakPolarHBondContact O-CB 3.12Å; D463-L467 PolarHBondContact O-N 3.49Å; L467-S471 VanDerWaalsContact O-CB 3.23Å; L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 2.93Å; L467-S471 PolarHBondContact O-OG 2.84Å
468A88.5Confident85.9Confident0 Ų075.6 Ų75.60%039%0.391CS..Hα-helixtrans-60.2-54.6172.200000111R422 A424 I429 R464 E465 A466 V470 S472R422-A468 VanDerWaalsContact CZ-O 3.29Å; R422-A468 PolarHBondContact NE-O 3.5Å; R422-A468 VanDerWaalsContact NE-O 3.12Å; R422-A468 VanDerWaalsContact NH2-C 3.32Å; R422-A468 VanDerWaalsContact NH2-CB 3.29Å; R422-A468 PolarHBondContact NH2-O 2.96Å; A424-A468 HydrophobicContact CB-CB 4.27Å; I429-A468 HydrophobicContact CB-CB 3.97Å; I429-A468 HydrophobicContact CG2-CB 3.77Å; R464-A468 VanDerWaalsContact O-CB 3.32Å; R464-A468 WeakPolarHBondContact O-CB 3.36Å; R464-A468 PolarHBondContact O-N 3.37Å; E465-A468 WeakPolarHBondContact O-CA 3.33Å; E465-A468 WeakPolarHBondContact O-CB 3.43Å; E465-A468 PolarHBondContact O-N 2.81Å; E465-A468 VanDerWaalsContact O-N 3.17Å; A466-A468 PolarHBondContact O-N 3.02Å; A468-V470 PolarHBondContact O-N 3.25Å; A468-S472 PolarHBondContact O-N 3.33Å; A468-S472 PolarHBondContact O-OG 3.03Å
469I90.2Very high86.1Confident86 Ų8673.7 Ų73.744%0.44138%0.381SS..Hα-helixtrans-54.8-52.2178.2-65.3166.7000110.6F420 R422 E465 A466 S472 V473F420-I469 HydrophobicContact CE1-CG2 4.31Å; R422-I469 HydrophobicContact CG-CG1 3.89Å; E465-I469 PolarHBondContact O-N 3.34Å; A466-I469 WeakPolarHBondContact O-CB 3.35Å; A466-I469 PolarHBondContact O-N 3.36Å; I469-S472 VanDerWaalsContact O-CA 3.32Å; I469-S472 WeakPolarHBondContact O-CA 3.29Å; I469-S472 PolarHBondContact O-N 3.35Å; I469-V473 PolarHBondContact O-N 2.88Å
470V91.7Very high86.2Confident75 Ų7572.7 Ų72.746%0.45538%0.382SS..Hα-helixtrans-63.8-47-176.6176.10000112.5A466 A468 S472 K474A466-V470 WeakPolarHBondContact O-CG2 3.25Å; A466-V470 PolarHBondContact O-N 3.44Å; A468-V470 PolarHBondContact O-N 3.25Å; V470-S472 PolarHBondContact O-N 3.43Å; V470-K474 HydrophobicContact CG1-CD 4.12Å; V470-K474 WeakPolarHBondContact O-CB 3.44Å; V470-K474 WeakPolarHBondContact O-CG 3.45Å; V470-K474 PolarHBondContact O-N 2.83Å; V470-K474 VanDerWaalsContact O-N 3.13Å
471S87.6Confident86.1Confident15 Ų1574 Ų7411%0.10538%0.38CS..Hα-helixtrans-64.3-33.5176.9-54.90000111.7I429 R450 L467 K475I429-S471 VanDerWaalsContact CD1-CB 3.46Å; I429-S471 WeakPolarHBondContact CD1-OG 3.37Å; R450-S471 PolarHBondContact NE-OG 3.14Å; R450-S471 PolarHBondContact NH2-OG 3.23Å; L467-S471 VanDerWaalsContact O-CB 3.23Å; L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 2.93Å; L467-S471 PolarHBondContact O-OG 2.84Å; S471-K475 PolarHBondContact O-N 3.33Å
472S87.8Confident86.3Confident0 Ų073.5 Ų73.50%038%0.38CS..Hα-helixtrans-50.6-73.1168.560.90000114R422 S431 F448 A468 I469 V470 K474 K475 L476R422-S472 PolarHBondContact NH2-OG 3.36Å; S431-S472 VanDerWaalsContact CB-OG 3.32Å; S431-S472 WeakPolarHBondContact CB-OG 3.42Å; S431-S472 WeakPolarHBondContact OG-CB 3.49Å; S431-S472 PolarHBondContact OG-OG 3.45Å; F448-S472 VanDerWaalsContact CD1-CB 3.44Å; F448-S472 WeakPolarHBondContact CD1-OG 3.47Å; F448-S472 WeakPolarHBondContact CE1-OG 3.36Å; A468-S472 PolarHBondContact O-N 3.33Å; A468-S472 PolarHBondContact O-OG 3.03Å; I469-S472 VanDerWaalsContact O-CA 3.32Å; I469-S472 WeakPolarHBondContact O-CA 3.29Å; I469-S472 PolarHBondContact O-N 3.35Å; V470-S472 PolarHBondContact O-N 3.43Å; S472-K474 VanDerWaalsContact C-N 3.31Å; S472-K474 PolarHBondContact O-N 3.26Å; S472-K475 PolarHBondContact O-N 3.2Å; S472-K475 VanDerWaalsContact O-N 3.16Å; S472-L476 WeakPolarHBondContact O-CB 3.47Å; S472-L476 WeakPolarHBondContact O-CG 3.41Å; S472-L476 PolarHBondContact O-N 2.62Å
473V89.4Confident86.2Confident81 Ų8170.4 Ų70.449%0.49136%0.364SS..Hα-helixtrans-57.5-45.8-174.5176.90000110.2F420 I469 K475 L476 H477F420-V473 HydrophobicContact CE1-CG2 4.29Å; F420-V473 HydrophobicContact CZ-CG2 4.44Å; I469-V473 PolarHBondContact O-N 2.88Å; V473-K475 PolarHBondContact O-N 3.09Å; V473-L476 PolarHBondContact O-N 2.74Å; V473-H477 WeakPolarHBondContact O-CB 3.07Å; V473-H477 PolarHBondContact O-N 2.74Å
474K88.3Confident86Confident143 Ų14370.1 Ų70.162%0.62236%0.362SS*.Hα-helixtrans-53.8-48.3177.1-73.8-177176.8-173.60112.8V470 S472 D478V470-K474 HydrophobicContact CG1-CD 4.12Å; V470-K474 WeakPolarHBondContact O-CB 3.44Å; V470-K474 WeakPolarHBondContact O-CG 3.45Å; V470-K474 PolarHBondContact O-N 2.83Å; V470-K474 VanDerWaalsContact O-N 3.13Å; S472-K474 VanDerWaalsContact C-N 3.31Å; S472-K474 PolarHBondContact O-N 3.26Å; K474-D478 VanDerWaalsContact O-CG 3.22Å; K474-D478 PolarHBondContact O-N 3.01Å
475K85.3Confident86.1Confident99 Ų9973.7 Ų73.743%0.4338%0.382SS..Hα-helixtrans-83.6-15.9-174.7-172.758-136.6105.50114.8F448 S471 S472 V473 D478F448-K475 HydrophobicContact CD2-CB 3.71Å; F448-K475 HydrophobicContact CD2-CG 3.57Å; F448-K475 HydrophobicContact CE2-CB 3.61Å; F448-K475 HydrophobicContact CE2-CG 3.67Å; S471-K475 PolarHBondContact O-N 3.33Å; S472-K475 PolarHBondContact O-N 3.2Å; S472-K475 VanDerWaalsContact O-N 3.16Å; V473-K475 PolarHBondContact O-N 3.09Å; K475-D478 PolarHBondContact NZ-OXT 3Å
476L83.2Confident86Confident49 Ų4972.9 Ų72.926%0.25738%0.382SS..Hα-helixtrans-100.5-12.2178.6-63.9175.6000113.5F420 L433 A446 F448 S472 V473F420-L476 HydrophobicContact CE2-CD1 3.89Å; L433-L476 HydrophobicContact CB-CD1 3.94Å; L433-L476 HydrophobicContact CD2-CD1 4.42Å; A446-L476 HydrophobicContact CB-CD2 3.72Å; F448-L476 HydrophobicContact CB-CD2 4.4Å; S472-L476 WeakPolarHBondContact O-CB 3.47Å; S472-L476 WeakPolarHBondContact O-CG 3.41Å; S472-L476 PolarHBondContact O-N 2.62Å; V473-L476 PolarHBondContact O-N 2.74Å
477H79.1Confident85.6Confident165 Ų16574.9 Ų74.976%0.76438%0.38SS*.Hα-helixtrans-83.5-28.7167.3-177.9-73.8000111.8V473V473-H477 WeakPolarHBondContact O-CB 3.07Å; V473-H477 PolarHBondContact O-N 2.74Å
478D65.8Low85.2Confident156 Ų15679 Ų7983%0.83440%0.4SS*.  trans-81.10170.6-64.6-13.8000113.3K474 K475K474-D478 VanDerWaalsContact O-CG 3.22Å; K474-D478 PolarHBondContact O-N 3.01Å; K475-D478 PolarHBondContact NZ-OXT 3Å

Retrieved 478 of 478 residues in 2816.6 ms (Link to these results)

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