A0A096NWW1_PAPAN Loading...

Keratinocyte associated protein 3

AlphaFold DB , UniProt , Accession A0A096NWW1, Species PAPAN (Papio anubis, Olive baboon), Gene KRTCAP3, Length 240 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
1M38.3Very low50.3Low242 Ų242115.5 Ų115.5100%1.19259%0.587SS**  0112.30-71.1170.5-179.900108.5R3M1-R3 PolarHBondContact O-N 3.47Å
2R39.2Very low51.1Low254 Ų254110.8 Ų110.896%0.95858%0.578SS**  trans-70.2113.1-178.3-70.8-179.3-175.7-174.31.2108.5C4R2-C4 PolarHBondContact O-N 3.14Å
3R41Very low52.6Low245 Ų245114.5 Ų114.593%0.92558%0.58SS**  trans-61105.4166.9-86.4-178.8-172.8170.23107.6M1 S5M1-R3 PolarHBondContact O-N 3.47Å; R3-S5 PolarHBondContact O-N 3.49Å; R3-S5 VanDerWaalsContact O-N 3.1Å
4C43.5Very low54Low84 Ų84106.4 Ų106.457%0.56854%0.539SS*.  trans-66.4106.3166.4-122.50000107.2R2 L6 C7R2-C4 PolarHBondContact O-N 3.14Å; C4-L6 PolarHBondContact O-N 3.44Å; C4-L6 VanDerWaalsContact O-N 3.07Å; C4-C7 PolarHBondContact O-N 3.15Å; C4-C7 VanDerWaalsContact O-N 3.16Å
5S50.8Low55.6Low112 Ų112101.1 Ų101.178%0.78351%0.514SS*.G310 helixtrans-60.5-13.3176.952.70000113.1R3 C7R3-S5 PolarHBondContact O-N 3.49Å; R3-S5 VanDerWaalsContact O-N 3.1Å; S5-C7 VanDerWaalsContact C-N 3.29Å; S5-C7 PolarHBondContact O-N 3.47Å
6L49.7Very low57.2Low149 Ų149104.8 Ų104.878%0.7852%0.52SS*.G310 helixtrans-73.8-10.3174.9-85.6129000114.8C4C4-L6 PolarHBondContact O-N 3.44Å; C4-L6 VanDerWaalsContact O-N 3.07Å
7C54.1Low58.7Low29 Ų29106.6 Ų106.620%0.19652%0.52CS..G310 helixtrans-103.530.3-174.9-77.40000115.1C4 S5 F9 C197C4-C7 PolarHBondContact O-N 3.15Å; C4-C7 VanDerWaalsContact O-N 3.16Å; S5-C7 VanDerWaalsContact C-N 3.29Å; S5-C7 PolarHBondContact O-N 3.47Å; C7-F9 PolarHBondContact O-N 2.86Å; C7-C197 HydrophobicContact CB-CB 3.45Å; C7-C197 VanDerWaalsContact CB-CB 3.45Å; C7-C197 WeakPolarHBondContact CB-SG 3.37Å; C7-C197 WeakPolarHBondContact SG-CB 3.2Å; C7-C197 CovalentContact SG-SG 2.01Å; C7-C197 PolarHBondContact SG-SG 3.45Å
8A55.1Low60.2Low76 Ų76100.7 Ų100.763%0.62849%0.491SS*.  trans-83.859.9175.300000111.7D10A8-D10 PolarHBondContact O-N 3.4Å
9F60.8Low61.7Low8 Ų899.9 Ų99.94%0.03549%0.487CS..  trans-75.1112157.6-161.8-97.6000107C7 G14 Y183 A187 T190 L191 K199 L202C7-F9 PolarHBondContact O-N 2.86Å; F9-G14 VanDerWaalsContact CZ-C 3.44Å; F9-Y183 WeakPolarHBondContact CD2-OH 3.34Å; F9-Y183 HydrophobicContact CE2-CE1 4.44Å; F9-A187 HydrophobicContact CD2-CB 3.94Å; F9-A187 HydrophobicContact CE2-CB 3.71Å; F9-A187 HydrophobicContact CZ-CB 4.37Å; F9-T190 HydrophobicContact CB-CG2 4.1Å; F9-L191 HydrophobicContact CE1-CD2 4.27Å; F9-K199 PolarHBondContact O-NZ 2.8Å; F9-L202 HydrophobicContact CD1-CD2 4.33Å
10D62.7Low63.1Low71 Ų71103.8 Ų103.838%0.3850%0.496SS..  trans-96.3121.9-177.6-175.43.2000107.9A8 A12 R13 G14A8-D10 PolarHBondContact O-N 3.4Å; D10-A12 PolarHBondContact O-N 2.94Å; D10-R13 HydrophobicContact CB-CB 4.45Å; D10-R13 CarbonylContact O-C 3.59Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 VanDerWaalsContact O-N 3.16Å; D10-G14 WeakPolarHBondContact O-CA 3.3Å; D10-G14 PolarHBondContact O-N 2.94Å
11A58.2Low64.3Low1 Ų199.8 Ų99.81%0.00848%0.479CS..THydrogen-bonded Turntrans-58.9-36.1-172.300000112.5R13 P15 L202 M209A11-R13 PolarHBondContact O-N 3.3Å; A11-P15 WeakPolarHBondContact O-CD 3.42Å; A11-L202 HydrophobicContact CB-CD1 3.35Å; A11-L202 HydrophobicContact CB-CG 4.03Å; A11-M209 VanDerWaalsContact C-CE 3.41Å; A11-M209 HydrophobicContact CB-CE 3.58Å; A11-M209 WeakPolarHBondContact O-CE 3.26Å
12A60.3Low66.8Low59 Ų5988.3 Ų88.349%0.48842%0.422SS..THydrogen-bonded Turntrans-74.2-26.2-177.500000113.3D10 M209D10-A12 PolarHBondContact O-N 2.94Å; A12-M209 HydrophobicContact CB-CE 4.36Å; A12-M209 HydrophobicContact CB-SD 3.99Å
13R69.5Low69.4Low159 Ų15981.5 Ų81.560%0.640%0.404SS*.THydrogen-bonded Turntrans-111.1-8.8-178.8-72.5169.9177.2170.1-2113.2D10 A11 R16 R17D10-R13 HydrophobicContact CB-CB 4.45Å; D10-R13 CarbonylContact O-C 3.59Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 VanDerWaalsContact O-N 3.16Å; A11-R13 PolarHBondContact O-N 3.3Å; R13-R16 PolarHBondContact O-N 3.36Å; R13-R17 WeakPolarHBondContact O-CB 3.33Å; R13-R17 WeakPolarHBondContact O-CG 3.32Å; R13-R17 PolarHBondContact O-N 3.1Å
14G73.3Confident71.8Confident0 Ų071.5 Ų71.50%037%0.373CS..Hα-helixtrans-57-57.7-176.300000113.5F9 D10 R16 R17 L18F9-G14 VanDerWaalsContact CZ-C 3.44Å; D10-G14 WeakPolarHBondContact O-CA 3.3Å; D10-G14 PolarHBondContact O-N 2.94Å; G14-R16 PolarHBondContact O-N 3.2Å; G14-R17 PolarHBondContact O-N 3.23Å; G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 PolarHBondContact O-N 3.33Å
15P77.2Confident74.1Confident27 Ų2767.5 Ų67.518%0.17535%0.346CS..Hα-helixtrans-61.6-42179.621.4-31.7000112.1A11 R17 L18 M19 L86A11-P15 WeakPolarHBondContact O-CD 3.42Å; P15-R17 PolarHBondContact O-N 3.2Å; P15-L18 PolarHBondContact O-N 3.3Å; P15-M19 WeakPolarHBondContact O-CB 3.08Å; P15-M19 PolarHBondContact O-N 2.99Å; P15-L86 HydrophobicContact CB-CD1 4.08Å; P15-L86 HydrophobicContact CB-CD2 4.45Å
16R80.9Confident76.2Confident161 Ų16163.6 Ų63.661%0.60832%0.317SS*.Hα-helixtrans-63.7-39176.4-71.7-174.1-178-159.8-0112.9R13 G14 R20R13-R16 PolarHBondContact O-N 3.36Å; G14-R16 PolarHBondContact O-N 3.2Å; R16-R20 WeakPolarHBondContact O-CG 3.1Å; R16-R20 PolarHBondContact O-N 3.35Å
17R83.1Confident78.3Confident136 Ų13662.2 Ų62.251%0.51331%0.309SS..Hα-helixtrans-69.1-44175-79.4-174.5-179.8-113.73.6111.4R13 G14 P15 M19 R20 V21 Y183R13-R17 WeakPolarHBondContact O-CB 3.33Å; R13-R17 WeakPolarHBondContact O-CG 3.32Å; R13-R17 PolarHBondContact O-N 3.1Å; G14-R17 PolarHBondContact O-N 3.23Å; P15-R17 PolarHBondContact O-N 3.2Å; R17-M19 VanDerWaalsContact C-N 3.26Å; R17-M19 PolarHBondContact O-N 3.48Å; R17-R20 PolarHBondContact O-N 3.3Å; R17-V21 WeakPolarHBondContact O-CG2 3.24Å; R17-V21 PolarHBondContact O-N 2.98Å; R17-Y183 WeakPolarHBondContact CB-OH 3.16Å
18L85.9Confident80Confident0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-60.8-38.2177.4-17162.8000111.4G14 P15 V21 G22 A79 A82 L95 A187G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 PolarHBondContact O-N 3.33Å; P15-L18 PolarHBondContact O-N 3.3Å; L18-V21 PolarHBondContact O-N 3.47Å; L18-G22 PolarHBondContact O-N 3.32Å; L18-A79 HydrophobicContact CD1-CB 4.28Å; L18-A79 HydrophobicContact CG-CB 4.45Å; L18-A82 HydrophobicContact CD2-CB 4.33Å; L18-L95 HydrophobicContact CD1-CD2 4.46Å; L18-L95 HydrophobicContact CD2-CD2 4.32Å; L18-A187 HydrophobicContact CD1-CB 4.23Å
19M88.1Confident81.7Confident85 Ų8558.3 Ų58.342%0.41928%0.277SS..Hα-helixtrans-62.1-47.6173.4-169.6-175.876.900112.2P15 R17 V21 G22 L23 L80P15-M19 WeakPolarHBondContact O-CB 3.08Å; P15-M19 PolarHBondContact O-N 2.99Å; R17-M19 VanDerWaalsContact C-N 3.26Å; R17-M19 PolarHBondContact O-N 3.48Å; M19-V21 VanDerWaalsContact C-N 3.33Å; M19-V21 PolarHBondContact O-N 3.43Å; M19-G22 PolarHBondContact O-N 2.93Å; M19-L23 PolarHBondContact O-N 3.05Å; M19-L80 HydrophobicContact CB-CD2 4.44Å; M19-L80 HydrophobicContact CG-CD2 3.58Å
20R89.6Confident83.1Confident177 Ų17762.9 Ų62.967%0.66830%0.298SS*.Hα-helixtrans-62.4-40.3177-71.5178.7-169.1171.21.3112.2R16 R17 L23 A24R16-R20 WeakPolarHBondContact O-CG 3.1Å; R16-R20 PolarHBondContact O-N 3.35Å; R17-R20 PolarHBondContact O-N 3.3Å; R20-L23 PolarHBondContact O-N 3.44Å; R20-A24 WeakPolarHBondContact O-CB 3.41Å; R20-A24 PolarHBondContact O-N 3.01Å
21V89.8Confident84.4Confident21 Ų2162.4 Ų62.413%0.12730%0.297CS..Hα-helixtrans-66.7-42.7176.71700000110.8R17 L18 M19 L23 A24 L25 L180 Y183R17-V21 WeakPolarHBondContact O-CG2 3.24Å; R17-V21 PolarHBondContact O-N 2.98Å; L18-V21 PolarHBondContact O-N 3.47Å; M19-V21 VanDerWaalsContact C-N 3.33Å; M19-V21 PolarHBondContact O-N 3.43Å; V21-L23 PolarHBondContact O-N 3.14Å; V21-A24 PolarHBondContact O-N 3.46Å; V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-L180 HydrophobicContact CB-CD2 4.49Å; V21-L180 HydrophobicContact CG1-CB 4.12Å; V21-L180 HydrophobicContact CG1-CD2 3.95Å; V21-L180 HydrophobicContact CG2-CD2 4.22Å; V21-Y183 HydrophobicContact CB-CD1 4.24Å; V21-Y183 HydrophobicContact CG1-CD1 4.06Å; V21-Y183 HydrophobicContact CG2-CD1 3.77Å; V21-Y183 HydrophobicContact CG2-CE1 3.95Å; V21-Y183 HydrophobicContact CG2-CG 4.49Å
22G90.7Very high85.8Confident0 Ų063.2 Ų63.20%030%0.302CS..Hα-helixtrans-59.9-44.1174.800000112.3L18 M19 L25 I26 G76L18-G22 PolarHBondContact O-N 3.32Å; M19-G22 PolarHBondContact O-N 2.93Å; G22-L25 PolarHBondContact O-N 3.06Å; G22-I26 WeakPolarHBondContact O-CG1 3.33Å; G22-I26 PolarHBondContact O-N 3.39Å; G22-G76 WeakPolarHBondContact O-CA 3.35Å
23L92.3Very high87.1Confident112 Ų11262.4 Ų62.459%0.58629%0.289SS*.Hα-helixtrans-63.8-41.2174.8-17465.9000112.2M19 R20 V21 I26 L27M19-L23 PolarHBondContact O-N 3.05Å; R20-L23 PolarHBondContact O-N 3.44Å; V21-L23 PolarHBondContact O-N 3.14Å; L23-I26 PolarHBondContact O-N 2.99Å; L23-L27 PolarHBondContact O-N 3.36Å
24A92.8Very high87.9Confident34 Ų3460.4 Ų60.428%0.28129%0.29SS..Hα-helixtrans-62.8-42.5175.700000111.8R20 V21 I26 L27 V28 L180R20-A24 WeakPolarHBondContact O-CB 3.41Å; R20-A24 PolarHBondContact O-N 3.01Å; V21-A24 PolarHBondContact O-N 3.46Å; A24-I26 VanDerWaalsContact C-N 3.34Å; A24-I26 PolarHBondContact O-N 3.39Å; A24-L27 PolarHBondContact O-N 3Å; A24-V28 WeakPolarHBondContact O-CB 3.37Å; A24-V28 VanDerWaalsContact O-CG2 3.25Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.2Å; A24-L180 HydrophobicContact CB-CD1 3.96Å; A24-L180 HydrophobicContact CB-CD2 4.45Å
25L91.9Very high88.2Confident0 Ų062.4 Ų62.40%030%0.3CS..Hα-helixtrans-61.6-40.7175.2-80.2168.1000112.2V21 G22 V28 G29 S72 V75 L180V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 PolarHBondContact O-N 3.44Å; G22-L25 PolarHBondContact O-N 3.06Å; L25-V28 PolarHBondContact O-N 3.36Å; L25-G29 PolarHBondContact O-N 2.92Å; L25-S72 PolarHBondContact O-OG 2.62Å; L25-V75 HydrophobicContact CD1-CG1 3.89Å; L25-L180 HydrophobicContact CD1-CB 4.31Å; L25-L180 HydrophobicContact CD2-CB 3.63Å; L25-L180 HydrophobicContact CD2-CD1 4.16Å; L25-L180 HydrophobicContact CG-CB 3.81Å; L25-L180 HydrophobicContact CG-CD1 4.2Å
26I94.3Very high88.2Confident31 Ų3161.5 Ų61.516%0.15930%0.295CS..Hα-helixtrans-61.8-48.7175.1-69.7164.1000110.5G22 L23 A24 V28 G29 H30 L80G22-I26 WeakPolarHBondContact O-CG1 3.33Å; G22-I26 PolarHBondContact O-N 3.39Å; L23-I26 PolarHBondContact O-N 2.99Å; A24-I26 VanDerWaalsContact C-N 3.34Å; A24-I26 PolarHBondContact O-N 3.39Å; I26-V28 PolarHBondContact O-N 3.3Å; I26-G29 PolarHBondContact O-N 3.45Å; I26-H30 PolarHBondContact O-CD2 3.05Å; I26-H30 PolarHBondContact O-N 3.08Å; I26-L80 HydrophobicContact CD1-CD1 3.38Å; I26-L80 HydrophobicContact CD1-CG 4.3Å
27L93.4Very high88.1Confident119 Ų11956.7 Ų56.762%0.62329%0.29SS*.Hα-helixtrans-59.5-49.2179.2-17280.9000111.3L23 A24 H30 V31L23-L27 PolarHBondContact O-N 3.36Å; A24-L27 PolarHBondContact O-N 3Å; L27-H30 PolarHBondContact O-N 3.14Å; L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.05Å
28V90.5Very high87.7Confident23 Ų2353.8 Ų53.814%0.13929%0.287CS..Hα-helixtrans-63.3-44.4-179.9173.80000110.9A24 L25 I26 H30 V31 N32 M173 E177A24-V28 WeakPolarHBondContact O-CB 3.37Å; A24-V28 VanDerWaalsContact O-CG2 3.25Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 3.36Å; I26-V28 PolarHBondContact O-N 3.3Å; V28-H30 VanDerWaalsContact C-N 3.33Å; V28-H30 PolarHBondContact O-N 3Å; V28-V31 PolarHBondContact O-N 3.03Å; V28-V31 VanDerWaalsContact O-N 3.16Å; V28-N32 WeakPolarHBondContact O-CB 3.41Å; V28-N32 PolarHBondContact O-N 3.3Å; V28-M173 HydrophobicContact CG1-SD 3.78Å; V28-M173 HydrophobicContact CG2-SD 4.27Å; V28-E177 HydrophobicContact CB-CG 4.39Å; V28-E177 HydrophobicContact CG1-CG 3.34Å
29G89.6Confident86.9Confident0 Ų056.6 Ų56.60%030%0.302CS..Hα-helixtrans-58.7-42.1175.600000112.6L25 I26 N32 L33L25-G29 PolarHBondContact O-N 2.92Å; I26-G29 PolarHBondContact O-N 3.45Å; G29-N32 PolarHBondContact O-N 3.49Å; G29-L33 WeakPolarHBondContact O-CG 3.31Å; G29-L33 PolarHBondContact O-N 3.15Å
30H91.2Very high85.9Confident105 Ų10556 Ų5649%0.48630%0.298SS..Hα-helixtrans-63.9-42.8174.1-80.9-64.2000112.9I26 L27 V28 N32 L33 L34I26-H30 PolarHBondContact O-CD2 3.05Å; I26-H30 PolarHBondContact O-N 3.08Å; L27-H30 PolarHBondContact O-N 3.14Å; V28-H30 VanDerWaalsContact C-N 3.33Å; V28-H30 PolarHBondContact O-N 3Å; H30-N32 VanDerWaalsContact C-N 3.28Å; H30-N32 PolarHBondContact O-N 3.36Å; H30-L33 PolarHBondContact O-N 3.31Å; H30-L34 WeakPolarHBondContact O-CB 3.48Å; H30-L34 PolarHBondContact O-N 3.37Å
31V90Very high84.7Confident60 Ų6049.5 Ų49.536%0.36429%0.286SS..Hα-helixtrans-63.5-38.5176.3177.80000110.5L27 V28 L34 L35 M173L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.05Å; V28-V31 PolarHBondContact O-N 3.03Å; V28-V31 VanDerWaalsContact O-N 3.16Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 PolarHBondContact O-N 3.01Å; V31-M173 HydrophobicContact CB-CE 4.15Å; V31-M173 HydrophobicContact CG1-CE 3.63Å
32N86.7Confident83.4Confident18 Ų1851.8 Ų51.810%0.09630%0.3CS..Hα-helixtrans-66.8-38.2175.6-77.9-22.2000112.9V28 G29 H30 L35 G36 M173 E177V28-N32 WeakPolarHBondContact O-CB 3.41Å; V28-N32 PolarHBondContact O-N 3.3Å; G29-N32 PolarHBondContact O-N 3.49Å; H30-N32 VanDerWaalsContact C-N 3.28Å; H30-N32 PolarHBondContact O-N 3.36Å; N32-L35 PolarHBondContact O-N 2.86Å; N32-G36 PolarHBondContact O-N 2.88Å; N32-M173 WeakPolarHBondContact OD1-CB 3.43Å; N32-E177 PolarHBondContact ND2-OE1 3.07Å; N32-E177 PolarHBondContact ND2-OE2 2.96Å
33L87.4Confident81.7Confident43 Ų4354.7 Ų54.723%0.22532%0.318CS..Hα-helixtrans-64.5-42.3172-71.1174.4000111.9G29 H30 G36 A37 V66 L70G29-L33 WeakPolarHBondContact O-CG 3.31Å; G29-L33 PolarHBondContact O-N 3.15Å; H30-L33 PolarHBondContact O-N 3.31Å; L33-G36 PolarHBondContact O-N 3.32Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.33Å; L33-V66 HydrophobicContact CD2-CG1 4.26Å; L33-L70 HydrophobicContact CD1-CD2 4.19Å; L33-L70 HydrophobicContact CD2-CG 4.27Å
34L86.6Confident79.6Confident117 Ų11753.9 Ų53.961%0.61331%0.314SS*.Hα-helixtrans-64.5-44.3176.4-176.664.8000111.1H30 V31 G36 A37 V38H30-L34 WeakPolarHBondContact O-CB 3.48Å; H30-L34 PolarHBondContact O-N 3.37Å; V31-L34 PolarHBondContact O-N 2.96Å; L34-G36 VanDerWaalsContact C-N 3.34Å; L34-A37 PolarHBondContact O-N 2.92Å; L34-V38 WeakPolarHBondContact O-CG2 2.74Å; L34-V38 PolarHBondContact O-N 3.05Å
35L79.5Confident77.7Confident42 Ų4262.8 Ų62.822%0.2234%0.34CS..Hα-helixtrans-63.9-42.1177.5-165.467.7000110.8V31 N32 A37 V38 L39V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 PolarHBondContact O-N 3.01Å; N32-L35 PolarHBondContact O-N 2.86Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.28Å; L35-V38 PolarHBondContact O-N 2.87Å; L35-L39 HydrophobicContact CG-CD1 4.15Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.08Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.22Å
36G77.2Confident75.6Confident7 Ų770.4 Ų70.47%0.07238%0.375CS..Hα-helixtrans-59-43.5171.900000112.4N32 L33 L34 H40N32-G36 PolarHBondContact O-N 2.88Å; L33-G36 PolarHBondContact O-N 3.32Å; L34-G36 VanDerWaalsContact C-N 3.34Å; G36-H40 WeakPolarHBondContact O-CB 3.21Å; G36-H40 PolarHBondContact O-N 3.45Å
37A78.9Confident73.3Confident61 Ų6173.5 Ų73.550%0.50440%0.395SS..Hα-helixtrans-66.4-39.8176.600000112.8L33 L34 L35 H40 G41L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.33Å; L34-A37 PolarHBondContact O-N 2.92Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 3.28Å; A37-H40 PolarHBondContact O-N 2.94Å; A37-G41 PolarHBondContact O-N 2.94Å
38V75.8Confident71Confident74 Ų7471.4 Ų71.445%0.44840%0.395SS..Hα-helixtrans-68.3-47.7176.8171.50000110.6L34 L35 H40 G41 T42L34-V38 WeakPolarHBondContact O-CG2 2.74Å; L34-V38 PolarHBondContact O-N 3.05Å; L35-V38 PolarHBondContact O-N 2.87Å; V38-H40 VanDerWaalsContact C-N 3.26Å; V38-H40 PolarHBondContact O-N 2.9Å; V38-G41 PolarHBondContact O-N 3.39Å; V38-T42 HydrophobicContact CG1-CG2 4.22Å; V38-T42 WeakPolarHBondContact O-CB 3.36Å; V38-T42 VanDerWaalsContact O-CG2 3.3Å; V38-T42 WeakPolarHBondContact O-CG2 3.33Å; V38-T42 PolarHBondContact O-N 2.92Å; V38-T42 PolarHBondContact O-OG1 2.96Å
39L68.8Low68.7Low59 Ų5977.3 Ų77.331%0.30943%0.426SS..Hα-helixtrans-57.7-41.9174.8-72.9170.2000110.9L35 T42 V43 L166L35-L39 HydrophobicContact CG-CD1 4.15Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.08Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.22Å; L39-T42 PolarHBondContact O-OG1 3.44Å; L39-V43 VanDerWaalsContact O-CB 3.27Å; L39-V43 WeakPolarHBondContact O-CB 3.4Å; L39-V43 WeakPolarHBondContact O-CG2 3.49Å; L39-V43 PolarHBondContact O-N 3.47Å; L39-V43 VanDerWaalsContact O-N 3.08Å; L39-L166 HydrophobicContact CD2-CB 4.5Å; L39-L166 HydrophobicContact CD2-CD1 3.78Å; L39-L166 HydrophobicContact CD2-CD2 4.18Å; L39-L166 HydrophobicContact CD2-CG 4.38Å
40H66.9Low66.6Low74 Ų7482.3 Ų82.334%0.34346%0.458SS..Hα-helixtrans-67.6-44176.3-17146000112.5G36 A37 V38 V43 L44 N62G36-H40 WeakPolarHBondContact O-CB 3.21Å; G36-H40 PolarHBondContact O-N 3.45Å; A37-H40 PolarHBondContact O-N 2.94Å; V38-H40 VanDerWaalsContact C-N 3.26Å; V38-H40 PolarHBondContact O-N 2.9Å; H40-V43 PolarHBondContact O-N 3.41Å; H40-L44 WeakPolarHBondContact CE1-CD1 3.23Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.39Å; H40-L44 VanDerWaalsContact O-CB 3.29Å; H40-L44 WeakPolarHBondContact O-CB 3.32Å; H40-L44 WeakPolarHBondContact O-CG 3.32Å; H40-L44 PolarHBondContact O-N 2.9Å; H40-N62 PolarHBondContact CE1-ND2 3.43Å; H40-N62 PolarHBondContact ND1-ND2 2.83Å
41G64.6Low64.4Low40 Ų4088.6 Ų88.641%0.41248%0.478SS..Hα-helixtrans-68.4-33.9-179.600000113.6A37 V38 R45A37-G41 PolarHBondContact O-N 2.94Å; V38-G41 PolarHBondContact O-N 3.39Å; G41-R45 VanDerWaalsContact O-CB 3.28Å; G41-R45 WeakPolarHBondContact O-CB 3.35Å; G41-R45 PolarHBondContact O-N 3.09Å
42T62.1Low62.4Low68 Ų6890 Ų9042%0.41751%0.505SS..Hα-helixtrans-76-39.2175.956.70000111.7V38 L39 R45 H46V38-T42 HydrophobicContact CG1-CG2 4.22Å; V38-T42 WeakPolarHBondContact O-CB 3.36Å; V38-T42 VanDerWaalsContact O-CG2 3.3Å; V38-T42 WeakPolarHBondContact O-CG2 3.33Å; V38-T42 PolarHBondContact O-N 2.92Å; V38-T42 PolarHBondContact O-OG1 2.96Å; L39-T42 PolarHBondContact O-OG1 3.44Å; T42-R45 PolarHBondContact O-N 3.19Å; T42-H46 WeakPolarHBondContact O-CB 3.46Å; T42-H46 PolarHBondContact O-N 3.23Å; T42-H46 VanDerWaalsContact O-N 3.09Å; T42-H46 PolarHBondContact O-ND1 3.29Å
43V54.6Low60.5Low62 Ų6293.1 Ų93.138%0.37653%0.533SS..Hα-helixtrans-71.7-43.5177.31730000111.7L39 H40 R45 H46 V47L39-V43 VanDerWaalsContact O-CB 3.27Å; L39-V43 WeakPolarHBondContact O-CB 3.4Å; L39-V43 WeakPolarHBondContact O-CG2 3.49Å; L39-V43 PolarHBondContact O-N 3.47Å; L39-V43 VanDerWaalsContact O-N 3.08Å; H40-V43 PolarHBondContact O-N 3.41Å; V43-R45 VanDerWaalsContact C-N 3.26Å; V43-R45 PolarHBondContact O-N 3.26Å; V43-H46 PolarHBondContact O-N 3.27Å; V43-V47 HydrophobicContact CG1-CB 4.3Å; V43-V47 HydrophobicContact CG1-CG2 4.15Å; V43-V47 VanDerWaalsContact O-CB 3.28Å; V43-V47 WeakPolarHBondContact O-CB 3.34Å; V43-V47 PolarHBondContact O-N 2.81Å
44L49.9Very low58.9Low95 Ų9596.8 Ų96.850%0.49756%0.557SS.*Hα-helixtrans-62.8-33.3174.8-79.3175.8000112.2H40 A48H40-L44 WeakPolarHBondContact CE1-CD1 3.23Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.39Å; H40-L44 VanDerWaalsContact O-CB 3.29Å; H40-L44 WeakPolarHBondContact O-CB 3.32Å; H40-L44 WeakPolarHBondContact O-CG 3.32Å; H40-L44 PolarHBondContact O-N 2.9Å; L44-A48 WeakPolarHBondContact O-CB 3.18Å; L44-A48 PolarHBondContact O-N 2.98Å
45R51.8Low57.5Low220 Ų22093.9 Ų93.983%0.8354%0.544SS*.Hα-helixtrans-80.3-25.1179.8-162173-168.7132.31.4113.6G41 T42 V43G41-R45 VanDerWaalsContact O-CB 3.28Å; G41-R45 WeakPolarHBondContact O-CB 3.35Å; G41-R45 PolarHBondContact O-N 3.09Å; T42-R45 PolarHBondContact O-N 3.19Å; V43-R45 VanDerWaalsContact C-N 3.26Å; V43-R45 PolarHBondContact O-N 3.26Å
46H48.1Very low56.7Low161 Ų16196.5 Ų96.575%0.74556%0.564SS**Hα-helixtrans-104.8-16.7-178.3-72.278000114.6T42 V43T42-H46 WeakPolarHBondContact O-CB 3.46Å; T42-H46 PolarHBondContact O-N 3.23Å; T42-H46 VanDerWaalsContact O-N 3.09Å; T42-H46 PolarHBondContact O-ND1 3.29Å; V43-H46 PolarHBondContact O-N 3.27Å
47V45.6Very low56Low95 Ų95103.5 Ų103.558%0.57660%0.595SS**Hα-helixtrans-115.3-7.7-178.1-178.80000113V43 N49V43-V47 HydrophobicContact CG1-CB 4.3Å; V43-V47 HydrophobicContact CG1-CG2 4.15Å; V43-V47 VanDerWaalsContact O-CB 3.28Å; V43-V47 WeakPolarHBondContact O-CB 3.34Å; V43-V47 PolarHBondContact O-N 2.81Å; V47-N49 VanDerWaalsContact C-N 3.27Å; V47-N49 PolarHBondContact O-N 3.23Å
48A44.2Very low55.2Low76 Ų76107.4 Ų107.463%0.62860%0.597SS**  trans-77.673.9171.900000111.9L44L44-A48 WeakPolarHBondContact O-CB 3.18Å; L44-A48 PolarHBondContact O-N 2.98Å
49N43.9Very low54.9Low146 Ų146107.4 Ų107.478%0.78160%0.597SS**  trans-168150.9153.4-142.727.2000111.2V47V47-N49 VanDerWaalsContact C-N 3.27Å; V47-N49 PolarHBondContact O-N 3.23Å
50P45.7Very low55Low105 Ų105108.3 Ų108.368%0.68261%0.606SS**SBendcis-129.261.1-3534.9-14.7000110.2
51R45Very low55.2Low237 Ų237107.5 Ų107.589%0.89461%0.611SS**  trans-131.416.2-178.3-75.2-167.3-174.2168.23.5116.7A53R51-A53 PolarHBondContact O-N 3.45Å
52G46.7Very low55.6Low91 Ų91108.2 Ų108.294%0.93861%0.606SS**  trans61.38160.400000117.8
53A47.2Very low56.5Low82 Ų82109.7 Ų109.768%0.67862%0.615SS**  trans-111.890.9178.300000109.4R51 T55R51-A53 PolarHBondContact O-N 3.45Å; A53-T55 PolarHBondContact O-N 2.89Å; A53-T55 VanDerWaalsContact O-N 3.11Å
54V52.8Low57.7Low120 Ų120110.3 Ų110.373%0.72762%0.615SS**  trans-67.4104.7166.1-171.20000106.1
55T57.9Low59.3Low56 Ų56107.9 Ų107.934%0.34461%0.606SS.*  trans-67.4138.1179.864.70000109.4A53 E57 Y58A53-T55 PolarHBondContact O-N 2.89Å; A53-T55 VanDerWaalsContact O-N 3.11Å; T55-E57 PolarHBondContact O-N 3.32Å; T55-E57 VanDerWaalsContact O-N 3.13Å; T55-Y58 PolarHBondContact O-N 2.73Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.49Å; T55-Y58 WeakPolarHBondContact OG1-CE2 3.18Å
56P63Low60.8Low98 Ų98100.9 Ų100.964%0.63659%0.587SS**Hα-helixtrans-62.3-22.3-175.523.9-33.9000112.8T59 T60P56-T59 PolarHBondContact O-N 3.44Å; P56-T60 WeakPolarHBondContact O-CB 3.48Å; P56-T60 PolarHBondContact O-N 3.13Å; P56-T60 PolarHBondContact O-OG1 2.97Å
57E62.8Low62.6Low154 Ų15494.8 Ų94.872%0.7257%0.568SS**Hα-helixtrans-64.4-42.2179-60.9-174169.200112.6T55 T60 A61T55-E57 PolarHBondContact O-N 3.32Å; T55-E57 VanDerWaalsContact O-N 3.13Å; E57-T60 PolarHBondContact O-N 3.34Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.33Å
58Y61.8Low64.6Low143 Ų14390.8 Ų90.856%0.56155%0.545SS*.Hα-helixtrans-66.8-39.3177.2-68.3-63.8000112.1T55 T60 N62T55-Y58 PolarHBondContact O-N 2.73Å; T55-Y58 WeakPolarHBondContact OG1-CD2 3.49Å; T55-Y58 WeakPolarHBondContact OG1-CE2 3.18Å; Y58-T60 VanDerWaalsContact C-N 3.33Å; Y58-N62 WeakPolarHBondContact O-CB 3.34Å; Y58-N62 PolarHBondContact O-N 3.34Å
59T68.4Low66.8Low73 Ų7387.2 Ų87.245%0.44852%0.515SS..Hα-helixtrans-64.6-42.1177.8-56.20000110.5P56 N62 V63P56-T59 PolarHBondContact O-N 3.44Å; T59-N62 PolarHBondContact O-N 2.95Å; T59-V63 WeakPolarHBondContact O-CG2 3.03Å; T59-V63 PolarHBondContact O-N 2.79Å
60T70.9Confident69Low79 Ų7984.8 Ų84.849%0.48550%0.501SS..Hα-helixtrans-67.2-46.5179.5-50.60000111.5P56 E57 Y58 N62 V63 I64P56-T60 WeakPolarHBondContact O-CB 3.48Å; P56-T60 PolarHBondContact O-N 3.13Å; P56-T60 PolarHBondContact O-OG1 2.97Å; E57-T60 PolarHBondContact O-N 3.34Å; Y58-T60 VanDerWaalsContact C-N 3.33Å; T60-N62 VanDerWaalsContact C-N 3.26Å; T60-N62 PolarHBondContact O-N 3.4Å; T60-V63 PolarHBondContact O-N 3.46Å; T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.06Å; T60-I64 PolarHBondContact O-N 3.48Å
61A71.6Confident71.3Confident56 Ų5681.5 Ų81.546%0.46348%0.478SS..Hα-helixtrans-59.9-37.9177.200000112.2E57 I64 S65E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.33Å; A61-I64 PolarHBondContact O-N 2.86Å; A61-S65 WeakPolarHBondContact O-CB 3.37Å; A61-S65 PolarHBondContact O-N 3.41Å
62N73.1Confident73.6Confident56 Ų5670.2 Ų70.230%0.29944%0.435SS..Hα-helixtrans-64.5-49.3175.2-94.89.5000113.1H40 Y58 T59 T60 I64 S65 V66H40-N62 PolarHBondContact CE1-ND2 3.43Å; H40-N62 PolarHBondContact ND1-ND2 2.83Å; Y58-N62 WeakPolarHBondContact O-CB 3.34Å; Y58-N62 PolarHBondContact O-N 3.34Å; T59-N62 PolarHBondContact O-N 2.95Å; T60-N62 VanDerWaalsContact C-N 3.26Å; T60-N62 PolarHBondContact O-N 3.4Å; N62-I64 PolarHBondContact O-N 3.41Å; N62-S65 PolarHBondContact O-N 3.42Å; N62-V66 PolarHBondContact O-N 3.24Å
63V80.4Confident75.8Confident99 Ų9967.4 Ų67.460%0.640%0.4SS*.Hα-helixtrans-61-39.8179172.10000110.2T59 T60 G67T59-V63 WeakPolarHBondContact O-CG2 3.03Å; T59-V63 PolarHBondContact O-N 2.79Å; T60-V63 PolarHBondContact O-N 3.46Å; V63-G67 WeakPolarHBondContact O-CA 3.14Å; V63-G67 PolarHBondContact O-N 3.16Å
64I81.3Confident78.1Confident74 Ų7466 Ų6638%0.37939%0.385SS..Hα-helixtrans-65.2-43.8176-67167.2000111.1T60 A61 N62 G67 S68 L105T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.06Å; T60-I64 PolarHBondContact O-N 3.48Å; A61-I64 PolarHBondContact O-N 2.86Å; N62-I64 PolarHBondContact O-N 3.41Å; I64-G67 PolarHBondContact O-N 3.46Å; I64-S68 VanDerWaalsContact O-CB 3.26Å; I64-S68 WeakPolarHBondContact O-CB 3.17Å; I64-S68 PolarHBondContact O-N 3.43Å; I64-L105 HydrophobicContact CG2-CD1 4.19Å
65S82.3Confident80Confident44 Ų4460.3 Ų60.331%0.30835%0.351SS..Hα-helixtrans-63.3-49.5180-179.60000112.3A61 N62 S68 G69A61-S65 WeakPolarHBondContact O-CB 3.37Å; A61-S65 PolarHBondContact O-N 3.41Å; N62-S65 PolarHBondContact O-N 3.42Å; S65-S68 PolarHBondContact O-N 3.07Å; S65-G69 PolarHBondContact O-N 3.45Å; S65-G69 VanDerWaalsContact O-N 3.16Å
66V84.8Confident81.6Confident73 Ų7357.7 Ų57.744%0.44233%0.334SS..Hα-helixtrans-66-43.3177.1175.80000110.7L33 N62 S68 G69 L70L33-V66 HydrophobicContact CD2-CG1 4.26Å; N62-V66 PolarHBondContact O-N 3.24Å; V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 3.03Å; V66-G69 PolarHBondContact O-N 2.95Å; V66-L70 HydrophobicContact CG1-CD1 4Å; V66-L70 HydrophobicContact CG1-CG 4.38Å; V66-L70 WeakPolarHBondContact O-CG 3.36Å; V66-L70 PolarHBondContact O-N 2.91Å
67G85.8Confident83Confident33 Ų3357.6 Ų57.634%0.3433%0.328SS..Hα-helixtrans-59.2-43.8177.600000112.4V63 I64 L70 L71V63-G67 WeakPolarHBondContact O-CA 3.14Å; V63-G67 PolarHBondContact O-N 3.16Å; I64-G67 PolarHBondContact O-N 3.46Å; G67-L70 PolarHBondContact O-N 3.21Å; G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 PolarHBondContact O-N 2.99Å
68S87.9Confident84.4Confident12 Ų1251.5 Ų51.58%0.08430%0.301CS..Hα-helixtrans-61.9-45.8176.4-165.10000111.7I64 S65 V66 L71 S72I64-S68 VanDerWaalsContact O-CB 3.26Å; I64-S68 WeakPolarHBondContact O-CB 3.17Å; I64-S68 PolarHBondContact O-N 3.43Å; S65-S68 PolarHBondContact O-N 3.07Å; V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 3.03Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-S72 VanDerWaalsContact O-CB 3.32Å; S68-S72 WeakPolarHBondContact O-CB 3.34Å; S68-S72 PolarHBondContact O-N 2.66Å
69G89.2Confident85.7Confident0 Ų044.7 Ų44.70%027%0.274CS..Hα-helixtrans-62.6-45.1178.100000112.9S65 V66 S72 V73S65-G69 PolarHBondContact O-N 3.45Å; S65-G69 VanDerWaalsContact O-N 3.16Å; V66-G69 PolarHBondContact O-N 2.95Å; G69-S72 PolarHBondContact O-N 3.01Å; G69-V73 WeakPolarHBondContact O-CG2 3.24Å; G69-V73 PolarHBondContact O-N 3.29Å
70L91.4Very high86.6Confident95 Ų9543.2 Ų43.250%0.49726%0.264SS..Hα-helixtrans-64.8-39.9176.3-71.1175.8000112.3L33 V66 G67 V73 S74L33-L70 HydrophobicContact CD1-CD2 4.19Å; L33-L70 HydrophobicContact CD2-CG 4.27Å; V66-L70 HydrophobicContact CG1-CD1 4Å; V66-L70 HydrophobicContact CG1-CG 4.38Å; V66-L70 WeakPolarHBondContact O-CG 3.36Å; V66-L70 PolarHBondContact O-N 2.91Å; G67-L70 PolarHBondContact O-N 3.21Å; L70-V73 PolarHBondContact O-N 3.29Å; L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 3.34Å
71L92.9Very high87.4Confident37 Ų3743.7 Ų43.719%0.19426%0.263CS..Hα-helixtrans-64.3-43.9177.3-172.267.1000110.7G67 S68 S74 V75 L98 V101 N102 L105G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 PolarHBondContact O-N 2.99Å; S68-L71 PolarHBondContact O-N 2.92Å; L71-S74 WeakPolarHBondContact O-CB 3.37Å; L71-S74 PolarHBondContact O-N 3.28Å; L71-V75 HydrophobicContact CG-CG2 4.45Å; L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.19Å; L71-L98 HydrophobicContact CD1-CG 4.47Å; L71-V101 HydrophobicContact CD2-CB 4.35Å; L71-V101 HydrophobicContact CD2-CG1 3.79Å; L71-N102 HydrophobicContact CD2-CB 3.81Å; L71-N102 WeakPolarHBondContact CD2-OD1 3.46Å; L71-N102 HydrophobicContact CG-CB 4.01Å; L71-N102 WeakPolarHBondContact CG-OD1 3.46Å; L71-L105 HydrophobicContact CD2-CD2 4.23Å
72S92.8Very high88.1Confident0 Ų041 Ų410%024%0.241CC..Hα-helixtrans-59.9-46.2176.5-166.50000112.2L25 S68 G69 S74 V75 G76 N102 E177L25-S72 PolarHBondContact O-OG 2.62Å; S68-S72 VanDerWaalsContact O-CB 3.32Å; S68-S72 WeakPolarHBondContact O-CB 3.34Å; S68-S72 PolarHBondContact O-N 2.66Å; G69-S72 PolarHBondContact O-N 3.01Å; S72-S74 VanDerWaalsContact C-N 3.35Å; S72-S74 PolarHBondContact O-N 3.49Å; S72-V75 PolarHBondContact O-N 3.48Å; S72-G76 PolarHBondContact O-N 3.38Å; S72-N102 PolarHBondContact N-OD1 3.45Å; S72-E177 WeakPolarHBondContact CB-OE1 3.28Å; S72-E177 PolarHBondContact OG-OE1 3.42Å
73V94.4Very high88.6Confident32 Ų3239 Ų3919%0.19423%0.231CC..Hα-helixtrans-61.4-43173.41740000111.3G69 L70 G76 L77G69-V73 WeakPolarHBondContact O-CG2 3.24Å; G69-V73 PolarHBondContact O-N 3.29Å; L70-V73 PolarHBondContact O-N 3.29Å; V73-G76 PolarHBondContact O-N 3.3Å; V73-L77 PolarHBondContact O-N 2.93Å
74S93.8Very high88.6Confident53 Ų5344.5 Ų44.537%0.37124%0.241SC..Hα-helixtrans-63.8-43.9179.1-58.80000111.9L70 L71 S72 G76 L77 V78L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 3.34Å; L71-S74 WeakPolarHBondContact O-CB 3.37Å; L71-S74 PolarHBondContact O-N 3.28Å; S72-S74 VanDerWaalsContact C-N 3.35Å; S72-S74 PolarHBondContact O-N 3.49Å; S74-G76 VanDerWaalsContact C-N 3.33Å; S74-G76 PolarHBondContact O-N 2.91Å; S74-L77 PolarHBondContact O-N 2.95Å; S74-V78 WeakPolarHBondContact O-CG2 3.41Å; S74-V78 PolarHBondContact O-N 3.43Å
75V93.4Very high88.5Confident0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-60.2-45.5174.9179.80000109.9L25 L71 S72 L77 V78 A79 L95 L98 A99 N102L25-V75 HydrophobicContact CD1-CG1 3.89Å; L71-V75 HydrophobicContact CG-CG2 4.45Å; L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.19Å; S72-V75 PolarHBondContact O-N 3.48Å; V75-L77 PolarHBondContact O-N 2.98Å; V75-V78 PolarHBondContact O-N 3.47Å; V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.17Å; V75-A79 PolarHBondContact O-N 3.47Å; V75-L95 HydrophobicContact CG1-CD1 4.42Å; V75-L98 HydrophobicContact CG2-CB 3.8Å; V75-A99 HydrophobicContact CG1-CB 4.07Å; V75-N102 HydrophobicContact CG2-CB 3.74Å
76G92.1Very high87.9Confident0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-62.4-40178.400000113.1G22 S72 V73 S74 A79 L80G22-G76 WeakPolarHBondContact O-CA 3.35Å; S72-G76 PolarHBondContact O-N 3.38Å; V73-G76 PolarHBondContact O-N 3.3Å; S74-G76 VanDerWaalsContact C-N 3.33Å; S74-G76 PolarHBondContact O-N 2.91Å; G76-A79 PolarHBondContact O-N 3.43Å; G76-L80 WeakPolarHBondContact O-CG 3.49Å; G76-L80 PolarHBondContact O-N 2.85Å
77L92.3Very high87Confident96 Ų9643 Ų4350%0.50323%0.228SC..Hα-helixtrans-65.3-46.1174.6-177.663000111.8V73 S74 V75 A79 L80 L81V73-L77 PolarHBondContact O-N 2.93Å; S74-L77 PolarHBondContact O-N 2.95Å; V75-L77 PolarHBondContact O-N 2.98Å; L77-A79 VanDerWaalsContact C-N 3.27Å; L77-A79 PolarHBondContact O-N 3.24Å; L77-L80 WeakPolarHBondContact O-CB 3.47Å; L77-L80 PolarHBondContact O-N 2.9Å; L77-L81 HydrophobicContact CG-CD1 4.32Å; L77-L81 WeakPolarHBondContact O-CG 3.19Å; L77-L81 PolarHBondContact O-N 3.19Å
78V91.4Very high86.6Confident26 Ų2648.5 Ų48.516%0.15824%0.238CC..Hα-helixtrans-63.5-35.8176.3176.10000110.8S74 V75 L81 A82 A94 L95 L98S74-V78 WeakPolarHBondContact O-CG2 3.41Å; S74-V78 PolarHBondContact O-N 3.43Å; V75-V78 PolarHBondContact O-N 3.47Å; V78-L81 PolarHBondContact O-N 2.91Å; V78-A82 WeakPolarHBondContact O-CB 3.34Å; V78-A82 PolarHBondContact O-N 3.44Å; V78-A94 HydrophobicContact CG1-CB 4.18Å; V78-L95 HydrophobicContact CG1-CB 3.85Å; V78-L95 HydrophobicContact CG1-CD1 4.16Å; V78-L98 HydrophobicContact CG2-CD2 4.06Å
79A88.9Confident86.1Confident0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-65.7-40.1174.100000112.4L18 V75 G76 L77 A82 S83 L95L18-A79 HydrophobicContact CD1-CB 4.28Å; L18-A79 HydrophobicContact CG-CB 4.45Å; V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.17Å; V75-A79 PolarHBondContact O-N 3.47Å; G76-A79 PolarHBondContact O-N 3.43Å; L77-A79 VanDerWaalsContact C-N 3.27Å; L77-A79 PolarHBondContact O-N 3.24Å; A79-A82 PolarHBondContact O-N 3.25Å; A79-S83 WeakPolarHBondContact O-CB 3.33Å; A79-S83 PolarHBondContact O-N 2.83Å; A79-L95 HydrophobicContact CB-CD1 3.86Å
80L89.1Confident86Confident42 Ų4255.7 Ų55.722%0.2228%0.284CS..Hα-helixtrans-62.5-48.9172.7-77.6175000111.4M19 I26 G76 L77 A82 S83 R84M19-L80 HydrophobicContact CB-CD2 4.44Å; M19-L80 HydrophobicContact CG-CD2 3.58Å; I26-L80 HydrophobicContact CD1-CD1 3.38Å; I26-L80 HydrophobicContact CD1-CG 4.3Å; G76-L80 WeakPolarHBondContact O-CG 3.49Å; G76-L80 PolarHBondContact O-N 2.85Å; L77-L80 WeakPolarHBondContact O-CB 3.47Å; L77-L80 PolarHBondContact O-N 2.9Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.05Å; L80-S83 PolarHBondContact O-N 3.45Å; L80-S83 VanDerWaalsContact O-N 3.16Å; L80-S83 PolarHBondContact O-OG 2.83Å; L80-R84 PolarHBondContact O-N 2.87Å
81L87.8Confident85.7Confident89 Ų8952.8 Ų52.847%0.46627%0.269SS..Hα-helixtrans-62-39.9177.5-66.6173.3000111.1L77 V78 S83 R84 N85 L91L77-L81 HydrophobicContact CG-CD1 4.32Å; L77-L81 WeakPolarHBondContact O-CG 3.19Å; L77-L81 PolarHBondContact O-N 3.19Å; V78-L81 PolarHBondContact O-N 2.91Å; L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 3.45Å; L81-R84 PolarHBondContact O-N 3.16Å; L81-N85 WeakPolarHBondContact O-CB 3.28Å; L81-N85 PolarHBondContact O-N 3.13Å; L81-L91 VanDerWaalsContact C-CD2 3.41Å; L81-L91 HydrophobicContact CB-CD2 3.66Å
82A84.9Confident85.4Confident0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-66.6-35.2177.400000110.9L18 V78 A79 L80 R84 N85 L86 L91 L95L18-A82 HydrophobicContact CD2-CB 4.33Å; V78-A82 WeakPolarHBondContact O-CB 3.34Å; V78-A82 PolarHBondContact O-N 3.44Å; A79-A82 PolarHBondContact O-N 3.25Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.05Å; A82-R84 VanDerWaalsContact C-N 3.29Å; A82-R84 PolarHBondContact O-N 3.28Å; A82-N85 PolarHBondContact O-N 3.43Å; A82-L86 WeakPolarHBondContact O-CD1 3.07Å; A82-L86 WeakPolarHBondContact O-CG 3.01Å; A82-L86 PolarHBondContact O-N 2.87Å; A82-L91 HydrophobicContact CB-CD2 4.18Å; A82-L95 HydrophobicContact CB-CD2 3.98Å
83S83.8Confident85.2Confident14 Ų1458.5 Ų58.510%0.09829%0.289CS..Hα-helixtrans-68.9-23.5176.277.10000114.3A79 L80 L81 L86A79-S83 WeakPolarHBondContact O-CB 3.33Å; A79-S83 PolarHBondContact O-N 2.83Å; L80-S83 PolarHBondContact O-N 3.45Å; L80-S83 VanDerWaalsContact O-N 3.16Å; L80-S83 PolarHBondContact O-OG 2.83Å; L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 3.45Å; S83-L86 VanDerWaalsContact C-CD1 3.41Å; S83-L86 WeakPolarHBondContact O-CD1 3.29Å
84R81.1Confident85Confident215 Ų21558.7 Ų58.781%0.81129%0.294SS*.Hα-helixtrans-94.1-25.6176.1-70.5-169.3175.6-177.7-1.4113.2L80 L81 A82L80-R84 PolarHBondContact O-N 2.87Å; L81-R84 PolarHBondContact O-N 3.16Å; A82-R84 VanDerWaalsContact C-N 3.29Å; A82-R84 PolarHBondContact O-N 3.28Å
85N77.8Confident84.9Confident53 Ų5356.2 Ų56.228%0.28328%0.276SS..  trans-133.855-170.1-16523.6000111.7L81 A82 L87 R88L81-N85 WeakPolarHBondContact O-CB 3.28Å; L81-N85 PolarHBondContact O-N 3.13Å; A82-N85 PolarHBondContact O-N 3.43Å; N85-L87 PolarHBondContact O-N 3.44Å; N85-R88 WeakPolarHBondContact ND2-CD 3.43Å; N85-R88 WeakPolarHBondContact ND2-CG 3.46Å; N85-R88 PolarHBondContact ND2-NE 3.29Å; N85-R88 PolarHBondContact O-N 2.88Å; N85-R88 VanDerWaalsContact O-N 3.14Å
86L70.6Confident84.8Confident11 Ų1157.3 Ų57.36%0.05828%0.282CS..THydrogen-bonded Turntrans-62.6-11.7-175.3-76.685.6000113.8P15 A82 S83 H92 L191 L206 I210P15-L86 HydrophobicContact CB-CD1 4.08Å; P15-L86 HydrophobicContact CB-CD2 4.45Å; A82-L86 WeakPolarHBondContact O-CD1 3.07Å; A82-L86 WeakPolarHBondContact O-CG 3.01Å; A82-L86 PolarHBondContact O-N 2.87Å; S83-L86 VanDerWaalsContact C-CD1 3.41Å; S83-L86 WeakPolarHBondContact O-CD1 3.29Å; L86-H92 PolarHBondContact O-CE1 3.47Å; L86-H92 PolarHBondContact O-NE2 2.98Å; L86-L191 HydrophobicContact CD2-CD2 3.86Å; L86-L206 HydrophobicContact CB-CD2 4.09Å; L86-L206 HydrophobicContact CD2-CD1 3.65Å; L86-L206 HydrophobicContact CD2-CD2 3.41Å; L86-L206 VanDerWaalsContact CD2-CD2 3.41Å; L86-L206 HydrophobicContact CD2-CG 4.04Å; L86-L206 HydrophobicContact CG-CD2 4.36Å; L86-I210 HydrophobicContact CB-CD1 3.82Å; L86-I210 HydrophobicContact CD1-CD1 4.4Å
87L65.3Low84.9Confident96 Ų9661.1 Ų61.150%0.50331%0.305SS..THydrogen-bonded Turntrans-83.9-6.9177.3-78.1111.7000113.9N85 P89 E207 I210N85-L87 PolarHBondContact O-N 3.44Å; L87-P89 WeakPolarHBondContact O-CD 3.38Å; L87-E207 HydrophobicContact CD2-CG 4.29Å; L87-I210 HydrophobicContact CD1-CB 4.47Å; L87-I210 HydrophobicContact CD1-CD1 4.12Å; L87-I210 HydrophobicContact CD1-CG2 3.79Å
88R78.6Confident84.9Confident147 Ų14758.8 Ų58.856%0.55529%0.293SS*.  trans-89.4105.7-179.9-76.4-157.7-170.81581.2112.3N85 P90 L91N85-R88 WeakPolarHBondContact ND2-CD 3.43Å; N85-R88 WeakPolarHBondContact ND2-CG 3.46Å; N85-R88 PolarHBondContact ND2-NE 3.29Å; N85-R88 PolarHBondContact O-N 2.88Å; N85-R88 VanDerWaalsContact O-N 3.14Å; R88-P90 HydrophobicContact CB-CG 4.37Å; R88-L91 HydrophobicContact CB-CB 4.47Å; R88-L91 HydrophobicContact CB-CD1 4.39Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.49Å; R88-L91 VanDerWaalsContact O-N 3.08Å
89P77.8Confident85.1Confident82 Ų8257.5 Ų57.553%0.53229%0.286SS..Hα-helixtrans-55.6-36.1176.820.6-29.9000115.2L87 L91 H92 W93L87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-L91 PolarHBondContact O-N 3.19Å; P89-H92 PolarHBondContact O-N 2.92Å; P89-W93 PolarHBondContact O-N 3.46Å
90P85.2Confident85.3Confident81 Ų8161.3 Ų61.353%0.52631%0.305SS..Hα-helixtrans-64.6-29.1178.725.9-36.3000112.9R88 H92 W93 A94R88-P90 HydrophobicContact CB-CG 4.37Å; P90-H92 VanDerWaalsContact C-N 3.35Å; P90-W93 PolarHBondContact O-N 3.05Å; P90-A94 WeakPolarHBondContact O-CB 3.32Å; P90-A94 PolarHBondContact O-N 2.9Å
91L86.1Confident85.6Confident34 Ų3462.8 Ų62.818%0.17832%0.316CS..Hα-helixtrans-68.9-34.9177-104.174.7000112L81 A82 R88 P89 W93 A94 L95L81-L91 VanDerWaalsContact C-CD2 3.41Å; L81-L91 HydrophobicContact CB-CD2 3.66Å; A82-L91 HydrophobicContact CB-CD2 4.18Å; R88-L91 HydrophobicContact CB-CB 4.47Å; R88-L91 HydrophobicContact CB-CD1 4.39Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.49Å; R88-L91 VanDerWaalsContact O-N 3.08Å; P89-L91 PolarHBondContact O-N 3.19Å; L91-W93 VanDerWaalsContact C-N 3.34Å; L91-A94 PolarHBondContact O-N 2.83Å; L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 PolarHBondContact O-N 3.35Å
92H85.9Confident85.9Confident17 Ų1758.6 Ų58.68%0.07929%0.294CS..Hα-helixtrans-66-39.9176.7-62.1170.1000111.4L86 P89 P90 L96 R192L86-H92 PolarHBondContact O-CE1 3.47Å; L86-H92 PolarHBondContact O-NE2 2.98Å; P89-H92 PolarHBondContact O-N 2.92Å; P90-H92 VanDerWaalsContact C-N 3.35Å; H92-L96 VanDerWaalsContact O-CB 3.23Å; H92-L96 WeakPolarHBondContact O-CB 3.39Å; H92-L96 PolarHBondContact O-N 2.98Å; H92-R192 HydrophobicContact CB-CG 4.05Å
93W88.4Confident86.4Confident140 Ų14060.8 Ų60.853%0.5331%0.305SS..Hα-helixtrans-66.6-47.6174.2-72.5109.4000112.1P89 P90 L91 L95 L96 V97 R192P89-W93 PolarHBondContact O-N 3.46Å; P90-W93 PolarHBondContact O-N 3.05Å; L91-W93 VanDerWaalsContact C-N 3.34Å; W93-L95 VanDerWaalsContact C-N 3.35Å; W93-L95 PolarHBondContact O-N 3.39Å; W93-L96 PolarHBondContact O-N 3.28Å; W93-V97 WeakPolarHBondContact O-CG2 3.37Å; W93-V97 PolarHBondContact O-N 3.39Å; W93-R192 VanDerWaalsContact CD2-CZ 3.43Å; W93-R192 VanDerWaalsContact CD2-NH1 3.26Å; W93-R192 VanDerWaalsContact CZ2-CZ 3.47Å
94A91.2Very high86.9Confident37 Ų3765.4 Ų65.431%0.30633%0.328SS..Hα-helixtrans-58.7-48.117700000110.9V78 P90 L91 L96 V97 L98V78-A94 HydrophobicContact CG1-CB 4.18Å; P90-A94 WeakPolarHBondContact O-CB 3.32Å; P90-A94 PolarHBondContact O-N 2.9Å; L91-A94 PolarHBondContact O-N 2.83Å; A94-L96 PolarHBondContact O-N 3.47Å; A94-V97 PolarHBondContact O-N 2.83Å; A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 WeakPolarHBondContact O-CD1 3.36Å; A94-L98 PolarHBondContact O-N 3.23Å
95L91.4Very high87.4Confident0 Ų057.6 Ų57.60%030%0.303CS..Hα-helixtrans-60.1-44.9178-175.960.6000111.4L18 V75 V78 A79 A82 L91 W93 A99 C184 A188L18-L95 HydrophobicContact CD1-CD2 4.46Å; L18-L95 HydrophobicContact CD2-CD2 4.32Å; V75-L95 HydrophobicContact CG1-CD1 4.42Å; V78-L95 HydrophobicContact CG1-CB 3.85Å; V78-L95 HydrophobicContact CG1-CD1 4.16Å; A79-L95 HydrophobicContact CB-CD1 3.86Å; A82-L95 HydrophobicContact CB-CD2 3.98Å; L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 PolarHBondContact O-N 3.35Å; W93-L95 VanDerWaalsContact C-N 3.35Å; W93-L95 PolarHBondContact O-N 3.39Å; L95-A99 WeakPolarHBondContact O-CB 3.36Å; L95-A99 PolarHBondContact O-N 3.42Å; L95-C184 HydrophobicContact CD1-CB 4.27Å; L95-A188 HydrophobicContact CD2-CB 4.23Å; L95-A188 HydrophobicContact CG-CB 4.28Å
96L91.3Very high88Confident24 Ų2455.1 Ų55.113%0.12629%0.29CS..Hα-helixtrans-62-49.3179.2-178.865.5000111.6H92 W93 A94 L100 A188 L189H92-L96 VanDerWaalsContact O-CB 3.23Å; H92-L96 WeakPolarHBondContact O-CB 3.39Å; H92-L96 PolarHBondContact O-N 2.98Å; W93-L96 PolarHBondContact O-N 3.28Å; A94-L96 PolarHBondContact O-N 3.47Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 PolarHBondContact O-N 2.85Å; L96-A188 HydrophobicContact CB-CB 3.99Å; L96-A188 HydrophobicContact CD1-CB 4.19Å; L96-L189 HydrophobicContact CD1-CD2 3.88Å; L96-L189 HydrophobicContact CD1-CG 3.84Å; L96-L189 HydrophobicContact CD2-CD2 4.21Å
97V93.6Very high89Confident80 Ų8056 Ų5649%0.48530%0.299SS..Hα-helixtrans-64.7-51.5-178.51730000110.3W93 A94 A99 L100 V101W93-V97 WeakPolarHBondContact O-CG2 3.37Å; W93-V97 PolarHBondContact O-N 3.39Å; A94-V97 PolarHBondContact O-N 2.83Å; V97-A99 PolarHBondContact O-N 3.42Å; V97-L100 PolarHBondContact O-N 3.22Å; V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 2.92Å
98L94Very high90.3Very high46 Ų4654.4 Ų54.424%0.24130%0.299CS..Hα-helixtrans-61.6-46.4-179.9-93.171.1000111.4L71 V75 V78 A94 L100 V101 N102L71-L98 HydrophobicContact CD1-CG 4.47Å; V75-L98 HydrophobicContact CG2-CB 3.8Å; V78-L98 HydrophobicContact CG2-CD2 4.06Å; A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 WeakPolarHBondContact O-CD1 3.36Å; A94-L98 PolarHBondContact O-N 3.23Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.49Å; L98-V101 PolarHBondContact O-N 3.04Å; L98-N102 WeakPolarHBondContact O-CB 2.93Å; L98-N102 PolarHBondContact O-N 3.46Å
99A93.7Very high90.7Very high0 Ų049.4 Ų49.40%029%0.286CS..Hα-helixtrans-65-36179.900000112V75 L95 V97 L103 C184 C185V75-A99 HydrophobicContact CG1-CB 4.07Å; L95-A99 WeakPolarHBondContact O-CB 3.36Å; L95-A99 PolarHBondContact O-N 3.42Å; V97-A99 PolarHBondContact O-N 3.42Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 2.01Å; A99-C184 HydrophobicContact CB-CB 3.86Å; A99-C185 HydrophobicContact CB-CB 4.33Å
100L94.4Very high91.2Very high79 Ų7946.4 Ų46.441%0.41427%0.267SS..Hα-helixtrans-67.2-46.3176.4-177.665000111.6L96 V97 L98 N102 L103 L104L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 PolarHBondContact O-N 2.85Å; V97-L100 PolarHBondContact O-N 3.22Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.49Å; L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 2.89Å; L100-L103 PolarHBondContact O-N 3.13Å; L100-L104 HydrophobicContact CG-CD1 4.33Å; L100-L104 WeakPolarHBondContact O-CG 3.14Å; L100-L104 PolarHBondContact O-N 3.02Å
101V95.1Very high91.5Very high74 Ų7447.5 Ų47.545%0.44827%0.268SS..Hα-helixtrans-61.8-44.3176.7177.90000110.3L71 V97 L98 L103 L104 L105L71-V101 HydrophobicContact CD2-CB 4.35Å; L71-V101 HydrophobicContact CD2-CG1 3.79Å; V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 2.92Å; L98-V101 PolarHBondContact O-N 3.04Å; V101-L103 PolarHBondContact O-N 3.34Å; V101-L104 PolarHBondContact O-N 2.94Å; V101-L105 WeakPolarHBondContact O-CB 3.42Å; V101-L105 PolarHBondContact O-N 3.31Å
102N94.4Very high91.5Very high0 Ų047.7 Ų47.70%028%0.278CS..Hα-helixtrans-66.1-38.3179.2-160.661.6000112.6L71 S72 V75 L98 L100 S106 S181L71-N102 HydrophobicContact CD2-CB 3.81Å; L71-N102 WeakPolarHBondContact CD2-OD1 3.46Å; L71-N102 HydrophobicContact CG-CB 4.01Å; L71-N102 WeakPolarHBondContact CG-OD1 3.46Å; S72-N102 PolarHBondContact N-OD1 3.45Å; V75-N102 HydrophobicContact CG2-CB 3.74Å; L98-N102 WeakPolarHBondContact O-CB 2.93Å; L98-N102 PolarHBondContact O-N 3.46Å; L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 2.89Å; N102-S106 WeakPolarHBondContact O-CB 3.05Å; N102-S106 PolarHBondContact O-N 2.96Å; N102-S106 PolarHBondContact O-OG 3.36Å; N102-S181 PolarHBondContact ND2-OG 3.38Å
103L94.3Very high91.4Very high46 Ų4648.5 Ų48.524%0.24128%0.283CS..Hα-helixtrans-61.4-49.117417364.3000111.3A99 L100 V101 S106 A107 A178A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 2.01Å; L100-L103 PolarHBondContact O-N 3.13Å; V101-L103 PolarHBondContact O-N 3.34Å; L103-S106 PolarHBondContact O-N 2.85Å; L103-A107 WeakPolarHBondContact O-CB 3.26Å; L103-A107 PolarHBondContact O-N 3.41Å; L103-A178 HydrophobicContact CD1-CB 4.03Å; L103-A178 WeakPolarHBondContact CD1-O 3.32Å
104L94.3Very high91.4Very high111 Ų11146.2 Ų46.258%0.58128%0.281SS*.Hα-helixtrans-63.2-44.4-179.9-71172.8000111.4L100 V101 A108L100-L104 HydrophobicContact CG-CD1 4.33Å; L100-L104 WeakPolarHBondContact O-CG 3.14Å; L100-L104 PolarHBondContact O-N 3.02Å; V101-L104 PolarHBondContact O-N 2.94Å; L104-A108 WeakPolarHBondContact O-CB 3.1Å; L104-A108 PolarHBondContact O-N 2.75Å
105L91.7Very high91Very high52 Ų5249.3 Ų49.327%0.27229%0.291SS..Hα-helixtrans-63.4-49.3178.3-17560.9000111.5I64 L71 V101 A107 A108 C109I64-L105 HydrophobicContact CG2-CD1 4.19Å; L71-L105 HydrophobicContact CD2-CD2 4.23Å; V101-L105 WeakPolarHBondContact O-CB 3.42Å; V101-L105 PolarHBondContact O-N 3.31Å; L105-A107 PolarHBondContact O-N 3.5Å; L105-A108 PolarHBondContact O-N 2.89Å; L105-C109 WeakPolarHBondContact O-CB 3.49Å; L105-C109 PolarHBondContact O-N 2.69Å; L105-C109 PolarHBondContact O-SG 2.9Å; L105-C109 VanDerWaalsContact O-SG 3.34Å
106S91.3Very high90.5Very high1 Ų150.9 Ų50.91%0.00731%0.305CS..Hα-helixtrans-65.8-37.3179.6-59.60000112.4N102 L103 S110N102-S106 WeakPolarHBondContact O-CB 3.05Å; N102-S106 PolarHBondContact O-N 2.96Å; N102-S106 PolarHBondContact O-OG 3.36Å; L103-S106 PolarHBondContact O-N 2.85Å; S106-S110 WeakPolarHBondContact O-CB 3.43Å; S106-S110 PolarHBondContact O-N 3.03Å; S106-S110 PolarHBondContact O-OG 3.29Å
107A92.1Very high89.9Confident30 Ų3050.8 Ų50.825%0.24831%0.305CS..Hα-helixtrans-63.8-46.6173.200000111.1L103 L105 C109 S110 L111L103-A107 WeakPolarHBondContact O-CB 3.26Å; L103-A107 PolarHBondContact O-N 3.41Å; L105-A107 PolarHBondContact O-N 3.5Å; A107-C109 PolarHBondContact O-N 3.33Å; A107-S110 WeakPolarHBondContact CA-OG 3.37Å; A107-S110 PolarHBondContact O-N 2.84Å; A107-S110 PolarHBondContact O-OG 2.86Å; A107-L111 VanDerWaalsContact O-CB 3.3Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 WeakPolarHBondContact O-CD1 3.4Å; A107-L111 WeakPolarHBondContact O-CG 3.15Å; A107-L111 PolarHBondContact O-N 3.29Å
108A91.6Very high89.3Confident62 Ų6249.6 Ų49.651%0.51230%0.3SS..Hα-helixtrans-61.2-4417700000111.7L104 L105 G112L104-A108 WeakPolarHBondContact O-CB 3.1Å; L104-A108 PolarHBondContact O-N 2.75Å; L105-A108 PolarHBondContact O-N 2.89Å; A108-G112 PolarHBondContact O-N 2.94Å
109C87.3Confident88.3Confident41 Ų4151 Ų5128%0.27731%0.307SS..Hα-helixtrans-63.3-47.1176.4-72.10000112.2L105 A107 G112 L113L105-C109 WeakPolarHBondContact O-CB 3.49Å; L105-C109 PolarHBondContact O-N 2.69Å; L105-C109 PolarHBondContact O-SG 2.9Å; L105-C109 VanDerWaalsContact O-SG 3.34Å; A107-C109 PolarHBondContact O-N 3.33Å; C109-G112 PolarHBondContact O-N 2.96Å; C109-L113 WeakPolarHBondContact O-CB 3.44Å; C109-L113 WeakPolarHBondContact O-CG 3.26Å; C109-L113 PolarHBondContact O-N 2.92Å
110S89.1Confident87.2Confident19 Ų1951.8 Ų51.813%0.13331%0.312CS..Hα-helixtrans-64.7-41.5178.251.50000112.3S106 A107 L113 L114 L171S106-S110 WeakPolarHBondContact O-CB 3.43Å; S106-S110 PolarHBondContact O-N 3.03Å; S106-S110 PolarHBondContact O-OG 3.29Å; A107-S110 WeakPolarHBondContact CA-OG 3.37Å; A107-S110 PolarHBondContact O-N 2.84Å; A107-S110 PolarHBondContact O-OG 2.86Å; S110-L113 PolarHBondContact O-N 3.19Å; S110-L114 WeakPolarHBondContact O-CB 3.39Å; S110-L114 PolarHBondContact O-N 3.11Å; S110-L171 VanDerWaalsContact O-CD1 3.23Å; S110-L171 WeakPolarHBondContact O-CD1 3.22Å
111L89.9Confident86.1Confident104 Ų10452.7 Ų52.755%0.54532%0.321SS..Hα-helixtrans-60.8-46172.7-82.9152.5000111.3A107 L114 L115A107-L111 VanDerWaalsContact O-CB 3.3Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 WeakPolarHBondContact O-CD1 3.4Å; A107-L111 WeakPolarHBondContact O-CG 3.15Å; A107-L111 PolarHBondContact O-N 3.29Å; L111-L114 PolarHBondContact O-N 3.33Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.04Å
112G86.1Confident84.8Confident39 Ų3953.2 Ų53.240%0.40233%0.333SS..Hα-helixtrans-60.4-47.217700000112.7A108 C109 L115 A116A108-G112 PolarHBondContact O-N 2.94Å; C109-G112 PolarHBondContact O-N 2.96Å; G112-L115 PolarHBondContact O-N 2.98Å; G112-A116 WeakPolarHBondContact O-CB 3.44Å; G112-A116 PolarHBondContact O-N 3.36Å
113L84.2Confident83.3Confident33 Ų3356.1 Ų56.117%0.17335%0.349CS..Hα-helixtrans-65.3-40.8176.5-75171.6000112C109 S110 A116 V117 W167 L171C109-L113 WeakPolarHBondContact O-CB 3.44Å; C109-L113 WeakPolarHBondContact O-CG 3.26Å; C109-L113 PolarHBondContact O-N 2.92Å; S110-L113 PolarHBondContact O-N 3.19Å; L113-A116 PolarHBondContact O-N 2.83Å; L113-V117 WeakPolarHBondContact O-CB 3.39Å; L113-V117 VanDerWaalsContact O-CG2 3.25Å; L113-V117 WeakPolarHBondContact O-CG2 3.21Å; L113-V117 PolarHBondContact O-N 3.49Å; L113-W167 HydrophobicContact CD2-CG 4.3Å; L113-L171 HydrophobicContact CB-CB 4.49Å; L113-L171 HydrophobicContact CB-CD1 4Å
114L87.6Confident81.7Confident93 Ų9357 Ų5749%0.48737%0.369SS..Hα-helixtrans-65.2-41177.2-175.568000111.4S110 L111 S118 L171S110-L114 WeakPolarHBondContact O-CB 3.39Å; S110-L114 PolarHBondContact O-N 3.11Å; L111-L114 PolarHBondContact O-N 3.33Å; L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.48Å; L114-S118 PolarHBondContact O-N 3.47Å; L114-S118 PolarHBondContact O-OG 3.49Å; L114-L171 HydrophobicContact CB-CD1 4.11Å; L114-L171 HydrophobicContact CD1-CD2 4.1Å
115L84.8Confident79.8Confident101 Ų10151.9 Ų51.953%0.52934%0.343SS..Hα-helixtrans-64.2-43173.4-71174.2000110.8L111 G112 S118 L119L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.04Å; G112-L115 PolarHBondContact O-N 2.98Å; L115-S118 WeakPolarHBondContact CA-OG 3.14Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-S118 PolarHBondContact O-OG 2.82Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.49Å
116A79.2Confident77.7Confident34 Ų3457.2 Ų57.228%0.28136%0.359SS..Hα-helixtrans-61.9-47.9176.300000111.8G112 L113 T120 W167G112-A116 WeakPolarHBondContact O-CB 3.44Å; G112-A116 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 2.83Å; A116-T120 VanDerWaalsContact O-CB 3.31Å; A116-T120 WeakPolarHBondContact O-CB 3.39Å; A116-T120 PolarHBondContact O-N 2.67Å; A116-T120 PolarHBondContact O-OG1 2.83Å; A116-W167 HydrophobicContact CB-CZ3 4.39Å
117V79.4Confident75.6Confident22 Ų2265.5 Ų65.513%0.13339%0.39CS..Hα-helixtrans-61.9-49.3176.9170.90000111L113 L119 T120 V121 L164 W167L113-V117 WeakPolarHBondContact O-CB 3.39Å; L113-V117 VanDerWaalsContact O-CG2 3.25Å; L113-V117 WeakPolarHBondContact O-CG2 3.21Å; L113-V117 PolarHBondContact O-N 3.49Å; V117-L119 PolarHBondContact O-N 2.86Å; V117-T120 WeakPolarHBondContact O-CB 3.22Å; V117-T120 PolarHBondContact O-N 3.22Å; V117-T120 VanDerWaalsContact O-N 3.15Å; V117-V121 HydrophobicContact CG1-CG2 4.38Å; V117-V121 WeakPolarHBondContact O-CG2 3.01Å; V117-V121 PolarHBondContact O-N 2.97Å; V117-L164 HydrophobicContact CG1-CD2 4.18Å; V117-L164 HydrophobicContact CG2-CD2 4.29Å; V117-W167 HydrophobicContact CG2-CB 4.12Å; V117-W167 HydrophobicContact CG2-CE3 4.02Å
118S80.3Confident73.5Confident54 Ų5469 Ų6938%0.37841%0.405SS..Hα-helixtrans-64.2-41.3-178.856.10000112.5L114 L115 T120 V121 A122L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.48Å; L114-S118 PolarHBondContact O-N 3.47Å; L114-S118 PolarHBondContact O-OG 3.49Å; L115-S118 WeakPolarHBondContact CA-OG 3.14Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-S118 PolarHBondContact O-OG 2.82Å; S118-T120 VanDerWaalsContact C-N 3.29Å; S118-T120 PolarHBondContact O-N 2.97Å; S118-V121 PolarHBondContact O-N 3.42Å; S118-A122 WeakPolarHBondContact O-CB 3.29Å; S118-A122 PolarHBondContact O-N 3.48Å
119L73.6Confident71.4Confident75 Ų7568.8 Ų68.839%0.39339%0.394SS..Hα-helixtrans-65.5-33.4173.9-72.7172.3000112.6L115 V117 N123L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.49Å; V117-L119 PolarHBondContact O-N 2.86Å; L119-N123 WeakPolarHBondContact O-CB 3.24Å; L119-N123 PolarHBondContact O-N 3.41Å; L119-N123 PolarHBondContact O-ND2 2.83Å
120T69.8Low69.5Low17 Ų1770 Ų7010%0.10441%0.407CS..Hα-helixtrans-69.5-44.7176.9-57.50000110.7A116 V117 S118 G124 G125 L128 Y160A116-T120 VanDerWaalsContact O-CB 3.31Å; A116-T120 WeakPolarHBondContact O-CB 3.39Å; A116-T120 PolarHBondContact O-N 2.67Å; A116-T120 PolarHBondContact O-OG1 2.83Å; V117-T120 WeakPolarHBondContact O-CB 3.22Å; V117-T120 PolarHBondContact O-N 3.22Å; V117-T120 VanDerWaalsContact O-N 3.15Å; S118-T120 VanDerWaalsContact C-N 3.29Å; S118-T120 PolarHBondContact O-N 2.97Å; T120-G124 PolarHBondContact O-N 3.48Å; T120-G125 PolarHBondContact O-N 3.25Å; T120-L128 HydrophobicContact CG2-CD1 4.03Å; T120-Y160 HydrophobicContact CG2-CD1 4.28Å
121V72.5Confident67.5Low99 Ų9977.2 Ų77.260%0.644%0.444SS*.Hα-helixtrans-68.5-48.3177.2173.80000111.5V117 S118 N123 G124V117-V121 HydrophobicContact CG1-CG2 4.38Å; V117-V121 WeakPolarHBondContact O-CG2 3.01Å; V117-V121 PolarHBondContact O-N 2.97Å; S118-V121 PolarHBondContact O-N 3.42Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 2.81Å; V121-G124 PolarHBondContact O-N 2.85Å
122A66.9Low65.5Low84 Ų8475.5 Ų75.569%0.69444%0.44SS*.Hα-helixtrans-66.1-32-175.600000113.1S118 G124S118-A122 WeakPolarHBondContact O-CB 3.29Å; S118-A122 PolarHBondContact O-N 3.48Å; A122-G124 VanDerWaalsContact C-N 3.32Å
123N63.6Low63.5Low62 Ų6279 Ų7933%0.33245%0.446SS..THydrogen-bonded Turntrans-88.93.5174.9-68.9-49.8000113.2L119 V121 G125 R126 R127L119-N123 WeakPolarHBondContact O-CB 3.24Å; L119-N123 PolarHBondContact O-N 3.41Å; L119-N123 PolarHBondContact O-ND2 2.83Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 2.81Å; N123-G125 PolarHBondContact O-N 3.33Å; N123-G125 VanDerWaalsContact O-N 3.16Å; N123-R126 HydrophobicContact CB-CB 4.49Å; N123-R126 VanDerWaalsContact O-CB 3.25Å; N123-R126 WeakPolarHBondContact O-CB 3.4Å; N123-R126 PolarHBondContact O-N 2.98Å; N123-R127 HydrophobicContact CB-CB 4.34Å
124G59.7Low61.7Low65 Ų6583.2 Ų83.267%0.6748%0.475SS*.THydrogen-bonded Turntrans53.933.5-173.900000112.7T120 V121 A122 R126T120-G124 PolarHBondContact O-N 3.48Å; V121-G124 PolarHBondContact O-N 2.85Å; A122-G124 VanDerWaalsContact C-N 3.32Å; G124-R126 VanDerWaalsContact C-N 3.33Å; G124-R126 PolarHBondContact O-N 2.97Å
125G54.4Low59.6Low3 Ų381 Ų813%0.03148%0.475CS..THydrogen-bonded Turntrans82.9-14.4-17400000116.1T120 N123 R127 L128 I129 Y160T120-G125 PolarHBondContact O-N 3.25Å; N123-G125 PolarHBondContact O-N 3.33Å; N123-G125 VanDerWaalsContact O-N 3.16Å; G125-R127 PolarHBondContact O-N 3.16Å; G125-L128 PolarHBondContact O-N 3.05Å; G125-I129 WeakPolarHBondContact O-CG1 3.19Å; G125-Y160 PolarHBondContact O-OH 3.06Å
126R48.9Very low57.8Low164 Ų16481.5 Ų81.562%0.61948%0.478SS*.G310 helixtrans-54.9-26.9-170.9-80.3158.656-175.2-2.9116.3N123 G124 L128 I129 A130N123-R126 HydrophobicContact CB-CB 4.49Å; N123-R126 VanDerWaalsContact O-CB 3.25Å; N123-R126 WeakPolarHBondContact O-CB 3.4Å; N123-R126 PolarHBondContact O-N 2.98Å; G124-R126 VanDerWaalsContact C-N 3.33Å; G124-R126 PolarHBondContact O-N 2.97Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-I129 CarbonylContact O-C 3.58Å; R126-I129 PolarHBondContact O-N 2.69Å; R126-I129 VanDerWaalsContact O-N 3.13Å; R126-A130 PolarHBondContact O-N 3.43Å
127R46Very low56Low174 Ų17487.4 Ų87.466%0.65750%0.504SS*.G310 helixtrans-78.1-16.6180-157.9175.7163.1-172.2-6.1113.6N123 G125N123-R127 HydrophobicContact CB-CB 4.34Å; G125-R127 PolarHBondContact O-N 3.16Å
128L47.7Very low54.2Low105 Ų10591.6 Ų91.655%0.5553%0.525SS..G310 helixtrans-92.2-5.2167.5-74.6150.2000111.6T120 G125 R126 Y160T120-L128 HydrophobicContact CG2-CD1 4.03Å; G125-L128 PolarHBondContact O-N 3.05Å; R126-L128 VanDerWaalsContact C-N 3.32Å; L128-Y160 HydrophobicContact CB-CE1 3.67Å; L128-Y160 WeakPolarHBondContact CB-OH 3.19Å; L128-Y160 HydrophobicContact CD1-CD1 4.24Å; L128-Y160 HydrophobicContact CD1-CE1 3.64Å; L128-Y160 HydrophobicContact CG-CE1 4.27Å
129I48.3Very low52.5Low56 Ų5695 Ų9529%0.28755%0.546SS..SBendtrans-105.2-3.1179.8-48.4171.6000111.5G125 R126 D131 C132 H133 Y160G125-I129 WeakPolarHBondContact O-CG1 3.19Å; R126-I129 CarbonylContact O-C 3.58Å; R126-I129 PolarHBondContact O-N 2.69Å; R126-I129 VanDerWaalsContact O-N 3.13Å; I129-D131 PolarHBondContact O-N 3.33Å; I129-C132 HydrophobicContact CG2-CB 4.23Å; I129-C132 PolarHBondContact O-N 2.68Å; I129-H133 PolarHBondContact O-N 2.76Å; I129-Y160 HydrophobicContact CD1-CE2 4.25Å; I129-Y160 HydrophobicContact CG1-CE2 4.38Å; I129-Y160 WeakPolarHBondContact CG1-OH 3.14Å
130A47.9Very low50.9Low66 Ų6698.4 Ų98.455%0.54556%0.564SS.*THydrogen-bonded Turntrans-59.6-20.5-176.700000113.5R126R126-A130 PolarHBondContact O-N 3.43Å
131D47.5Very low49.5Very low171 Ų171103.2 Ų103.291%0.91459%0.593SS**THydrogen-bonded Turntrans-79.7-15.4172.6-97.6-8.2000114.8I129I129-D131 PolarHBondContact O-N 3.33Å
132C46.3Very low47.8Very low69 Ų69103.7 Ų103.747%0.46660%0.598SS.*THydrogen-bonded Turntrans-99.8-2.3173.8-87.40000112.8I129 C152I129-C132 HydrophobicContact CG2-CB 4.23Å; I129-C132 PolarHBondContact O-N 2.68Å; C132-C152 WeakPolarHBondContact CB-SG 3.5Å; C132-C152 WeakPolarHBondContact SG-CB 3.36Å; C132-C152 CovalentContact SG-SG 2.1Å; C132-C152 PolarHBondContact SG-SG 2.89Å
133H44.8Very low46.9Very low113 Ų113108.1 Ų108.152%0.52361%0.609SS.*  trans-151.787.9178.3-15178.9000115.3I129 G135I129-H133 PolarHBondContact O-N 2.76Å; H133-G135 PolarHBondContact O-N 3.16Å
134P45.9Very low45.7Very low120 Ų120112.2 Ų112.278%0.77963%0.631SS**G310 helixtrans-65.9-16.7171.4-1326000113.6L136P134-L136 VanDerWaalsContact C-N 3.35Å; P134-L136 PolarHBondContact O-N 3.48Å
135G44.9Very low44.7Very low47 Ų47118.7 Ų118.749%0.48564%0.644SS.*G310 helixtrans-78.2-5.1-170.700000116.5H133 L137H133-G135 PolarHBondContact O-N 3.16Å; G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.81Å
136L45.2Very low43.7Very low112 Ų112121.5 Ų121.559%0.58667%0.673SS**G310 helixtrans-87.22.7-177.3-145.173.9000114P134P134-L136 VanDerWaalsContact C-N 3.35Å; P134-L136 PolarHBondContact O-N 3.48Å
137L42.6Very low43Very low158 Ų158119.4 Ų119.483%0.82768%0.68SS**G310 helixtrans-104.4-7.5177.1-98.389.6000114.6G135G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.81Å
138D40.6Very low42.7Very low109 Ų109114.2 Ų114.258%0.58368%0.681SS**  trans-119.3107.6-176.8-111-51.2000112.2L140D138-L140 PolarHBondContact O-N 3.48Å; D138-L140 VanDerWaalsContact O-N 3.09Å
139P44.4Very low42.3Very low126 Ų126117.1 Ų117.182%0.81869%0.692SS**THydrogen-bonded Turntrans-69.42.6177.1-17.230.6000114.9
140L41.5Very low42Very low147 Ų147120.4 Ų120.477%0.7771%0.714SS**THydrogen-bonded Turntrans-109.9-0.4-167.7-102.382.1000115.8D138D138-L140 PolarHBondContact O-N 3.48Å; D138-L140 VanDerWaalsContact O-N 3.09Å
141V40.6Very low41.7Very low118 Ų118123.3 Ų123.372%0.71572%0.721SS**SBendtrans-102.1117-178.5-175.20000110.3
142P36.2Very low41.5Very low108 Ų108118.4 Ų118.470%0.70170%0.699SS**  trans-62.1139.7-178.9-20.531.9000112.7D144P142-D144 PolarHBondContact O-N 2.88Å
143L47.4Very low41.6Very low177 Ų177120.7 Ų120.793%0.92771%0.713SS**SBendtrans-63.377.8163.6-86.6147.3000109.9
144D39.1Very low41.5Very low149 Ų149122.2 Ų122.280%0.79772%0.718SS**SBendtrans-177.2139.4154-106.8-21.4000109.7P142P142-D144 PolarHBondContact O-N 2.88Å
145E37.8Very low41.6Very low200 Ų200121.3 Ų121.394%0.93571%0.707SS**  trans77.166.3169.7-53.6-135.2118.800118.5
146G33.2Very low41.9Very low62 Ų62121.4 Ų121.464%0.63970%0.699SS**SBendtrans-143.3142.4150.600000109.2G148G146-G148 PolarHBondContact O-N 2.88Å
147P34Very low42.4Very low121 Ų121120.5 Ų120.579%0.78670%0.698SS**  trans-61.7105.1-173.524.7-30.5000108.9H149P147-H149 VanDerWaalsContact C-N 3.28Å; P147-H149 PolarHBondContact O-N 3.48Å
148G39.9Very low43.2Very low65 Ų65122.1 Ų122.167%0.6769%0.694SS**  trans-59.594.116900000108.4G146 T150G146-G148 PolarHBondContact O-N 2.88Å; G148-T150 VanDerWaalsContact C-N 3.33Å; G148-T150 PolarHBondContact O-N 3.42Å; G148-T150 VanDerWaalsContact O-N 3.14Å
149H40.7Very low44.1Very low166 Ų166121.1 Ų121.177%0.76969%0.687SS**  trans-78.593.1164.7-9866.6000107.6P147 D151P147-H149 VanDerWaalsContact C-N 3.28Å; P147-H149 PolarHBondContact O-N 3.48Å; H149-D151 PolarHBondContact O-N 3.21Å
150T41.4Very low44.8Very low125 Ų125117.3 Ų117.377%0.76766%0.657SS**  trans-71.843176.147.20000113.2G148G148-T150 VanDerWaalsContact C-N 3.33Å; G148-T150 PolarHBondContact O-N 3.42Å; G148-T150 VanDerWaalsContact O-N 3.14Å
151D41.2Very low46.1Very low127 Ų127116 Ų11668%0.67965%0.651SS**  trans-145.876.9-179.1-71.3-58.4000111.2H149 P153H149-D151 PolarHBondContact O-N 3.21Å; D151-P153 VanDerWaalsContact O-CD 3.29Å; D151-P153 WeakPolarHBondContact O-CD 3.25Å
152C43.4Very low47.4Very low67 Ų67113.9 Ų113.945%0.45364%0.638SS.*  trans-77.2111.5148.6-63.70000104.3C132 F154C132-C152 WeakPolarHBondContact CB-SG 3.5Å; C132-C152 WeakPolarHBondContact SG-CB 3.36Å; C132-C152 CovalentContact SG-SG 2.1Å; C132-C152 PolarHBondContact SG-SG 2.89Å; C152-F154 PolarHBondContact O-N 2.92Å
153P48.4Very low49Very low118 Ų118109.9 Ų109.977%0.76661%0.614SS**SBendtrans-67.94.9-168.925.6-34.6000114.6D151D151-P153 VanDerWaalsContact O-CD 3.29Å; D151-P153 WeakPolarHBondContact O-CD 3.25Å
154F43.6Very low50.2Low145 Ų145103.4 Ų103.464%0.63658%0.58SS**SBendtrans-129.8117.6176.9-69-80.4000108.7C152 P156 I159C152-F154 PolarHBondContact O-N 2.92Å; F154-P156 WeakPolarHBondContact O-CD 3.44Å; F154-P156 VanDerWaalsContact O-N 3.08Å; F154-I159 HydrophobicContact CB-CD1 3.7Å; F154-I159 HydrophobicContact CD1-CD1 4.19Å; F154-I159 HydrophobicContact CG-CD1 4.14Å
155D48Very low52.1Low100 Ų10099.2 Ų99.254%0.53557%0.566SS.*  trans-60.2109.8171.6-169.4-14.2000108.8T157 R158D155-T157 PolarHBondContact O-N 3.32Å; D155-T157 PolarHBondContact OD1-N 3.47Å; D155-T157 PolarHBondContact OD1-OG1 3.45Å; D155-T157 PolarHBondContact OD2-OG1 3.3Å; D155-R158 PolarHBondContact O-N 3.29Å
156P51.2Low53.9Low50 Ų5093.4 Ų93.433%0.32554%0.541SS..Hα-helixtrans-60.4-35.7-172-20.431.4000111.2F154 R158 I159 Y160F154-P156 WeakPolarHBondContact O-CD 3.44Å; F154-P156 VanDerWaalsContact O-N 3.08Å; P156-R158 PolarHBondContact O-N 2.91Å; P156-I159 PolarHBondContact O-N 2.86Å; P156-I159 VanDerWaalsContact O-N 3.11Å; P156-Y160 HydrophobicContact CB-CD2 4.06Å; P156-Y160 HydrophobicContact CB-CE2 3.38Å; P156-Y160 WeakPolarHBondContact O-CD2 3.3Å; P156-Y160 WeakPolarHBondContact O-CE2 3.36Å; P156-Y160 PolarHBondContact O-N 2.84Å
157T55.8Low56.3Low93 Ų9394 Ų9457%0.57152%0.524SS*.Hα-helixtrans-55.8-36.5-178.761.80000112.5D155 D161D155-T157 PolarHBondContact O-N 3.32Å; D155-T157 PolarHBondContact OD1-N 3.47Å; D155-T157 PolarHBondContact OD1-OG1 3.45Å; D155-T157 PolarHBondContact OD2-OG1 3.3Å; T157-D161 PolarHBondContact O-N 3Å; T157-D161 VanDerWaalsContact O-N 3.13Å
158R57.7Low58.6Low192 Ų19292.9 Ų92.973%0.72551%0.511SS*.Hα-helixtrans-77.3-32.6-178.9-152.2-176-170.5-109.82.1112.9D155 P156 T162D155-R158 PolarHBondContact O-N 3.29Å; P156-R158 PolarHBondContact O-N 2.91Å; R158-T162 WeakPolarHBondContact O-CG2 2.87Å; R158-T162 PolarHBondContact O-N 3.39Å; R158-T162 PolarHBondContact O-OG1 2.95Å
159I59.7Low60.7Low88 Ų8892.8 Ų92.845%0.45150%0.498SS..Hα-helixtrans-73.9-36.3175.1-64.2173.6000110.2F154 P156 T162 A163F154-I159 HydrophobicContact CB-CD1 3.7Å; F154-I159 HydrophobicContact CD1-CD1 4.19Å; F154-I159 HydrophobicContact CG-CD1 4.14Å; P156-I159 PolarHBondContact O-N 2.86Å; P156-I159 VanDerWaalsContact O-N 3.11Å; I159-T162 WeakPolarHBondContact CA-OG1 3.39Å; I159-T162 PolarHBondContact O-OG1 3.16Å; I159-T162 VanDerWaalsContact O-OG1 3.1Å; I159-A163 VanDerWaalsContact O-CB 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.39Å
160Y60.4Low62.8Low46 Ų4686.4 Ų86.418%0.1847%0.472CS..Hα-helixtrans-62.7-46.8173.9-67.7-55.9000112.5T120 G125 L128 I129 P156 A163 L164T120-Y160 HydrophobicContact CG2-CD1 4.28Å; G125-Y160 PolarHBondContact O-OH 3.06Å; L128-Y160 HydrophobicContact CB-CE1 3.67Å; L128-Y160 WeakPolarHBondContact CB-OH 3.19Å; L128-Y160 HydrophobicContact CD1-CD1 4.24Å; L128-Y160 HydrophobicContact CD1-CE1 3.64Å; L128-Y160 HydrophobicContact CG-CE1 4.27Å; I129-Y160 HydrophobicContact CD1-CE2 4.25Å; I129-Y160 HydrophobicContact CG1-CE2 4.38Å; I129-Y160 WeakPolarHBondContact CG1-OH 3.14Å; P156-Y160 HydrophobicContact CB-CD2 4.06Å; P156-Y160 HydrophobicContact CB-CE2 3.38Å; P156-Y160 WeakPolarHBondContact O-CD2 3.3Å; P156-Y160 WeakPolarHBondContact O-CE2 3.36Å; P156-Y160 PolarHBondContact O-N 2.84Å; Y160-A163 PolarHBondContact O-N 2.83Å; Y160-L164 WeakPolarHBondContact O-CB 3.45Å; Y160-L164 WeakPolarHBondContact O-CG 3.49Å; Y160-L164 PolarHBondContact O-N 3.49Å
161D67.8Low65Low119 Ų11982.3 Ų82.364%0.63645%0.445SS*.Hα-helixtrans-65.9-41.1-178.5-161.536.8000111.4T157 A165T157-D161 PolarHBondContact O-N 3Å; T157-D161 VanDerWaalsContact O-N 3.13Å; D161-A165 VanDerWaalsContact O-CB 3.26Å; D161-A165 WeakPolarHBondContact O-CB 3.48Å; D161-A165 PolarHBondContact O-N 3.29Å
162T67.9Low67.3Low73 Ų7382.6 Ų82.645%0.44845%0.446SS..Hα-helixtrans-69.7-36.2176.349.40000113.5R158 I159 L166R158-T162 WeakPolarHBondContact O-CG2 2.87Å; R158-T162 PolarHBondContact O-N 3.39Å; R158-T162 PolarHBondContact O-OG1 2.95Å; I159-T162 WeakPolarHBondContact CA-OG1 3.39Å; I159-T162 PolarHBondContact O-OG1 3.16Å; I159-T162 VanDerWaalsContact O-OG1 3.1Å; T162-L166 PolarHBondContact O-N 3.3Å
163A71.1Confident69.5Low24 Ų2482.2 Ų82.220%0.19844%0.438CS..Hα-helixtrans-68.2-44.717500000111.9I159 Y160 A165 L166 W167I159-A163 VanDerWaalsContact O-CB 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.39Å; Y160-A163 PolarHBondContact O-N 2.83Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.01Å; A163-L166 PolarHBondContact O-N 3.49Å; A163-L166 VanDerWaalsContact O-N 3.16Å; A163-W167 HydrophobicContact CB-CZ2 4.33Å; A163-W167 WeakPolarHBondContact O-CB 3.47Å; A163-W167 PolarHBondContact O-N 3.34Å
164L72.9Confident71.4Confident41 Ų4177 Ų7722%0.21541%0.405CS..Hα-helixtrans-62.9-39.2175.2-75.6171.4000111.9V117 Y160 L166 W167 I168V117-L164 HydrophobicContact CG1-CD2 4.18Å; V117-L164 HydrophobicContact CG2-CD2 4.29Å; Y160-L164 WeakPolarHBondContact O-CB 3.45Å; Y160-L164 WeakPolarHBondContact O-CG 3.49Å; Y160-L164 PolarHBondContact O-N 3.49Å; L164-L166 PolarHBondContact O-N 2.89Å; L164-W167 PolarHBondContact O-N 2.87Å; L164-I168 HydrophobicContact CB-CD1 4.4Å; L164-I168 WeakPolarHBondContact O-CB 3.4Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.36Å; L164-I168 PolarHBondContact O-N 3.08Å
165A78.4Confident73.6Confident61 Ų6172.2 Ų72.250%0.50439%0.392SS..Hα-helixtrans-60.2-25.717600000113.3D161 A163 P169D161-A165 VanDerWaalsContact O-CB 3.26Å; D161-A165 WeakPolarHBondContact O-CB 3.48Å; D161-A165 PolarHBondContact O-N 3.29Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.01Å; A165-P169 WeakPolarHBondContact O-CD 3.12Å; A165-P169 WeakPolarHBondContact O-CG 3.28Å
166L75.9Confident75.7Confident78 Ų7868.7 Ų68.741%0.40838%0.379SS..Hα-helixtrans-94.5-36.7176.4-67.6168000112.6L39 T162 A163 L164 S170L39-L166 HydrophobicContact CD2-CB 4.5Å; L39-L166 HydrophobicContact CD2-CD1 3.78Å; L39-L166 HydrophobicContact CD2-CD2 4.18Å; L39-L166 HydrophobicContact CD2-CG 4.38Å; T162-L166 PolarHBondContact O-N 3.3Å; A163-L166 PolarHBondContact O-N 3.49Å; A163-L166 VanDerWaalsContact O-N 3.16Å; L164-L166 PolarHBondContact O-N 2.89Å; L166-S170 VanDerWaalsContact O-CB 3.32Å; L166-S170 WeakPolarHBondContact O-CB 3.47Å; L166-S170 PolarHBondContact O-N 3.48Å
167W82.9Confident77.6Confident76 Ų7666.5 Ų66.529%0.28837%0.365SS..Hα-helixtrans-71.6-36.4-180-66.6-8.2000112.9L113 A116 V117 A163 L164 S170 L171L113-W167 HydrophobicContact CD2-CG 4.3Å; A116-W167 HydrophobicContact CB-CZ3 4.39Å; V117-W167 HydrophobicContact CG2-CB 4.12Å; V117-W167 HydrophobicContact CG2-CE3 4.02Å; A163-W167 HydrophobicContact CB-CZ2 4.33Å; A163-W167 WeakPolarHBondContact O-CB 3.47Å; A163-W167 PolarHBondContact O-N 3.34Å; L164-W167 PolarHBondContact O-N 2.87Å; W167-S170 PolarHBondContact O-N 3.48Å; W167-L171 VanDerWaalsContact O-CB 3.26Å; W167-L171 WeakPolarHBondContact O-CB 3.47Å; W167-L171 PolarHBondContact O-N 3.18Å
168I82.9Confident79.3Confident97 Ų9762.7 Ų62.750%0.49734%0.343SS..Hα-helixtrans-64.7-51-179.6-67.4168000111.6L164 S170 L171 L172L164-I168 HydrophobicContact CB-CD1 4.4Å; L164-I168 WeakPolarHBondContact O-CB 3.4Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.36Å; L164-I168 PolarHBondContact O-N 3.08Å; I168-S170 VanDerWaalsContact C-N 3.31Å; I168-S170 PolarHBondContact O-N 3.47Å; I168-L171 PolarHBondContact O-N 3.18Å; I168-L172 PolarHBondContact O-N 2.87Å
169P84.2Confident80.9Confident62 Ų6256.8 Ų56.840%0.40334%0.335SS..Hα-helixtrans-61.5-38174.5-24.335.3000112.9A165 L172 M173A165-P169 WeakPolarHBondContact O-CD 3.12Å; A165-P169 WeakPolarHBondContact O-CG 3.28Å; P169-L172 PolarHBondContact O-N 3.23Å; P169-M173 WeakPolarHBondContact O-CB 3.29Å; P169-M173 WeakPolarHBondContact O-CG 3.46Å; P169-M173 PolarHBondContact O-N 2.93Å
170S84Confident82.5Confident33 Ų3354.6 Ų54.623%0.23132%0.324CS..Hα-helixtrans-66.5-39.6177.8-172.80000112.4L166 W167 I168 M173 S174L166-S170 VanDerWaalsContact O-CB 3.32Å; L166-S170 WeakPolarHBondContact O-CB 3.47Å; L166-S170 PolarHBondContact O-N 3.48Å; W167-S170 PolarHBondContact O-N 3.48Å; I168-S170 VanDerWaalsContact C-N 3.31Å; I168-S170 PolarHBondContact O-N 3.47Å; S170-M173 PolarHBondContact O-N 2.9Å; S170-S174 WeakPolarHBondContact O-CB 3.42Å; S170-S174 PolarHBondContact O-N 2.88Å; S170-S174 PolarHBondContact O-OG 3.46Å
171L87.9Confident83.9Confident38 Ų3852.4 Ų52.420%0.19932%0.315CS..Hα-helixtrans-61.7-44.4172.7178.967.9000110.9S110 L113 L114 W167 I168 S174 A175S110-L171 VanDerWaalsContact O-CD1 3.23Å; S110-L171 WeakPolarHBondContact O-CD1 3.22Å; L113-L171 HydrophobicContact CB-CB 4.49Å; L113-L171 HydrophobicContact CB-CD1 4Å; L114-L171 HydrophobicContact CB-CD1 4.11Å; L114-L171 HydrophobicContact CD1-CD2 4.1Å; W167-L171 VanDerWaalsContact O-CB 3.26Å; W167-L171 WeakPolarHBondContact O-CB 3.47Å; W167-L171 PolarHBondContact O-N 3.18Å; I168-L171 PolarHBondContact O-N 3.18Å; L171-S174 WeakPolarHBondContact CA-OG 3.48Å; L171-S174 PolarHBondContact O-N 3.01Å; L171-S174 PolarHBondContact O-OG 2.95Å; L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 2.88Å
172L89.8Confident85Confident134 Ų13447.5 Ų47.570%0.70229%0.293SS*.Hα-helixtrans-66.1-41.9179.9-167.265.9000111.8I168 P169 G176I168-L172 PolarHBondContact O-N 2.87Å; P169-L172 PolarHBondContact O-N 3.23Å; L172-G176 PolarHBondContact O-N 3.39Å
173M88.7Confident86Confident59 Ų5947 Ų4729%0.29128%0.284SS..Hα-helixtrans-63.5-48.6175.3-76.7-66.2-171.500111.8V28 V31 N32 P169 S170 A175 G176 E177V28-M173 HydrophobicContact CG1-SD 3.78Å; V28-M173 HydrophobicContact CG2-SD 4.27Å; V31-M173 HydrophobicContact CB-CE 4.15Å; V31-M173 HydrophobicContact CG1-CE 3.63Å; N32-M173 WeakPolarHBondContact OD1-CB 3.43Å; P169-M173 WeakPolarHBondContact O-CB 3.29Å; P169-M173 WeakPolarHBondContact O-CG 3.46Å; P169-M173 PolarHBondContact O-N 2.93Å; S170-M173 PolarHBondContact O-N 2.9Å; M173-A175 PolarHBondContact O-N 3.16Å; M173-G176 CarbonylContact O-C 3.58Å; M173-G176 WeakPolarHBondContact O-CA 3.27Å; M173-G176 PolarHBondContact O-N 2.91Å; M173-G176 VanDerWaalsContact O-N 3.12Å; M173-E177 WeakPolarHBondContact O-CG 3.31Å; M173-E177 PolarHBondContact O-N 3.46Å
174S88.3Confident86.8Confident8 Ų845.8 Ų45.86%0.05627%0.274CS..Hα-helixtrans-64-38.3178.755.40000112.8S170 L171 E177 A178S170-S174 WeakPolarHBondContact O-CB 3.42Å; S170-S174 PolarHBondContact O-N 2.88Å; S170-S174 PolarHBondContact O-OG 3.46Å; L171-S174 WeakPolarHBondContact CA-OG 3.48Å; L171-S174 PolarHBondContact O-N 3.01Å; L171-S174 PolarHBondContact O-OG 2.95Å; S174-E177 PolarHBondContact O-N 3.34Å; S174-A178 WeakPolarHBondContact O-CB 3.48Å; S174-A178 PolarHBondContact O-N 3.26Å
175A90.8Very high87.6Confident44 Ų4444.6 Ų44.636%0.36427%0.269SS..Hα-helixtrans-64.5-40171.900000111.9L171 M173 A178 A179L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 2.88Å; M173-A175 PolarHBondContact O-N 3.16Å; A175-A178 PolarHBondContact O-N 2.94Å; A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 3.4Å
176G90.6Very high87.9Confident27 Ų2744.3 Ų44.328%0.27826%0.261SS..Hα-helixtrans-61.4-45.9173.700000112.7L172 M173 A178 A179 L180L172-G176 PolarHBondContact O-N 3.39Å; M173-G176 CarbonylContact O-C 3.58Å; M173-G176 WeakPolarHBondContact O-CA 3.27Å; M173-G176 PolarHBondContact O-N 2.91Å; M173-G176 VanDerWaalsContact O-N 3.12Å; G176-A178 PolarHBondContact O-N 3.26Å; G176-A179 PolarHBondContact O-N 3.49Å; G176-L180 WeakPolarHBondContact O-CB 3.32Å; G176-L180 VanDerWaalsContact O-CG 3.29Å; G176-L180 WeakPolarHBondContact O-CG 3.2Å; G176-L180 PolarHBondContact O-N 2.93Å
177E91.4Very high88.3Confident3 Ų340.7 Ų40.71%0.01424%0.242CC..Hα-helixtrans-60.7-43.6174.9-71.7-172.8142.600111.9V28 N32 S72 M173 S174 L180 S181V28-E177 HydrophobicContact CB-CG 4.39Å; V28-E177 HydrophobicContact CG1-CG 3.34Å; N32-E177 PolarHBondContact ND2-OE1 3.07Å; N32-E177 PolarHBondContact ND2-OE2 2.96Å; S72-E177 WeakPolarHBondContact CB-OE1 3.28Å; S72-E177 PolarHBondContact OG-OE1 3.42Å; M173-E177 WeakPolarHBondContact O-CG 3.31Å; M173-E177 PolarHBondContact O-N 3.46Å; S174-E177 PolarHBondContact O-N 3.34Å; E177-L180 PolarHBondContact O-N 3.44Å; E177-S181 WeakPolarHBondContact O-CB 3.35Å; E177-S181 PolarHBondContact O-N 2.91Å; E177-S181 PolarHBondContact O-OG 3.12Å
178A92.6Very high88.4Confident14 Ų1437 Ų3712%0.11623%0.228CC..Hα-helixtrans-60.5-45.6175.300000111.1L103 S174 A175 G176 S181 G182L103-A178 HydrophobicContact CD1-CB 4.03Å; L103-A178 WeakPolarHBondContact CD1-O 3.32Å; S174-A178 WeakPolarHBondContact O-CB 3.48Å; S174-A178 PolarHBondContact O-N 3.26Å; A175-A178 PolarHBondContact O-N 2.94Å; G176-A178 PolarHBondContact O-N 3.26Å; A178-S181 PolarHBondContact O-N 2.9Å; A178-G182 PolarHBondContact O-N 2.84Å
179A91.2Very high88.4Confident68 Ų6835.4 Ų35.456%0.56222%0.22SC*.Hα-helixtrans-63.7-46.417900000112.6A175 G176 G182 Y183A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 3.4Å; G176-A179 PolarHBondContact O-N 3.49Å; A179-G182 PolarHBondContact O-N 3.4Å; A179-Y183 PolarHBondContact O-N 3.09Å
180L91.8Very high88.1Confident41 Ų4133.1 Ų33.122%0.21521%0.205CC..Hα-helixtrans-66.4-41.6178.7-67171.3000111.6V21 A24 L25 G176 E177 Y183 C184V21-L180 HydrophobicContact CB-CD2 4.49Å; V21-L180 HydrophobicContact CG1-CB 4.12Å; V21-L180 HydrophobicContact CG1-CD2 3.95Å; V21-L180 HydrophobicContact CG2-CD2 4.22Å; A24-L180 HydrophobicContact CB-CD1 3.96Å; A24-L180 HydrophobicContact CB-CD2 4.45Å; L25-L180 HydrophobicContact CD1-CB 4.31Å; L25-L180 HydrophobicContact CD2-CB 3.63Å; L25-L180 HydrophobicContact CD2-CD1 4.16Å; L25-L180 HydrophobicContact CG-CB 3.81Å; L25-L180 HydrophobicContact CG-CD1 4.2Å; G176-L180 WeakPolarHBondContact O-CB 3.32Å; G176-L180 VanDerWaalsContact O-CG 3.29Å; G176-L180 WeakPolarHBondContact O-CG 3.2Å; G176-L180 PolarHBondContact O-N 2.93Å; E177-L180 PolarHBondContact O-N 3.44Å; L180-Y183 WeakPolarHBondContact O-CB 3.4Å; L180-Y183 PolarHBondContact O-N 3.28Å; L180-C184 PolarHBondContact O-N 3.48Å
181S91.8Very high87.7Confident0 Ų031.8 Ų31.80%020%0.195CC..Hα-helixtrans-67.8-38.1176.5-55.70000111.8N102 E177 A178 Y183 C184 C185N102-S181 PolarHBondContact ND2-OG 3.38Å; E177-S181 WeakPolarHBondContact O-CB 3.35Å; E177-S181 PolarHBondContact O-N 2.91Å; E177-S181 PolarHBondContact O-OG 3.12Å; A178-S181 PolarHBondContact O-N 2.9Å; S181-Y183 VanDerWaalsContact C-N 3.32Å; S181-Y183 PolarHBondContact O-N 3.33Å; S181-C184 PolarHBondContact O-N 2.85Å; S181-C185 WeakPolarHBondContact O-CB 3.23Å; S181-C185 PolarHBondContact O-N 3.04Å
182G89.6Confident87.1Confident17 Ų1732.9 Ų32.918%0.17520%0.197CC..Hα-helixtrans-59.5-43.1171.500000111.7A178 A179 C185 V186A178-G182 PolarHBondContact O-N 2.84Å; A179-G182 PolarHBondContact O-N 3.4Å; G182-C185 WeakPolarHBondContact O-CB 3.4Å; G182-C185 PolarHBondContact O-N 2.82Å; G182-V186 WeakPolarHBondContact O-CG2 3.43Å; G182-V186 PolarHBondContact O-N 3.32Å
183Y89.5Confident86.1Confident61 Ų6127.9 Ų27.924%0.23918%0.177CC..Hα-helixtrans-60.9-46.2172.9-178.4-91.2000112.1F9 R17 V21 A179 L180 S181 C185 V186 A187F9-Y183 WeakPolarHBondContact CD2-OH 3.34Å; F9-Y183 HydrophobicContact CE2-CE1 4.44Å; R17-Y183 WeakPolarHBondContact CB-OH 3.16Å; V21-Y183 HydrophobicContact CB-CD1 4.24Å; V21-Y183 HydrophobicContact CG1-CD1 4.06Å; V21-Y183 HydrophobicContact CG2-CD1 3.77Å; V21-Y183 HydrophobicContact CG2-CE1 3.95Å; V21-Y183 HydrophobicContact CG2-CG 4.49Å; A179-Y183 PolarHBondContact O-N 3.09Å; L180-Y183 WeakPolarHBondContact O-CB 3.4Å; L180-Y183 PolarHBondContact O-N 3.28Å; S181-Y183 VanDerWaalsContact C-N 3.32Å; S181-Y183 PolarHBondContact O-N 3.33Å; Y183-C185 VanDerWaalsContact C-N 3.3Å; Y183-C185 PolarHBondContact O-N 2.86Å; Y183-V186 PolarHBondContact O-N 3.22Å; Y183-A187 VanDerWaalsContact O-CB 3.29Å; Y183-A187 WeakPolarHBondContact O-CB 3.42Å; Y183-A187 PolarHBondContact O-N 2.83Å
184C88.5Confident85Confident0 Ų029.1 Ų29.10%019%0.188CC..Hα-helixtrans-59.6-39.7175.7-73.70000112.4L95 A99 L180 S181 A187 A188L95-C184 HydrophobicContact CD1-CB 4.27Å; A99-C184 HydrophobicContact CB-CB 3.86Å; L180-C184 PolarHBondContact O-N 3.48Å; S181-C184 PolarHBondContact O-N 2.85Å; C184-A187 PolarHBondContact O-N 3.49Å; C184-A188 WeakPolarHBondContact O-CB 3.41Å; C184-A188 PolarHBondContact O-N 3.08Å
185C88.5Confident83.8Confident15 Ų1530.8 Ų30.810%0.10121%0.206CC..Hα-helixtrans-64-48.9176.2-175.70000111.5A99 S181 G182 Y183 A187 A188 L189A99-C185 HydrophobicContact CB-CB 4.33Å; S181-C185 WeakPolarHBondContact O-CB 3.23Å; S181-C185 PolarHBondContact O-N 3.04Å; G182-C185 WeakPolarHBondContact O-CB 3.4Å; G182-C185 PolarHBondContact O-N 2.82Å; Y183-C185 VanDerWaalsContact C-N 3.3Å; Y183-C185 PolarHBondContact O-N 2.86Å; C185-A187 VanDerWaalsContact C-N 3.33Å; C185-A187 PolarHBondContact O-N 3.17Å; C185-A188 PolarHBondContact O-N 2.97Å; C185-L189 WeakPolarHBondContact O-CG 3.28Å; C185-L189 PolarHBondContact O-N 3.32Å
186V85.5Confident82.1Confident56 Ų5635.5 Ų35.534%0.33923%0.233SC..Hα-helixtrans-61.8-41.7176.1173.20000111.1G182 Y183 L189 T190G182-V186 WeakPolarHBondContact O-CG2 3.43Å; G182-V186 PolarHBondContact O-N 3.32Å; Y183-V186 PolarHBondContact O-N 3.22Å; V186-L189 PolarHBondContact O-N 2.84Å; V186-T190 WeakPolarHBondContact O-CB 3.32Å; V186-T190 PolarHBondContact O-N 3.24Å; V186-T190 PolarHBondContact O-OG1 3.38Å
187A83.5Confident80.5Confident1 Ų135.9 Ų35.91%0.00823%0.231CC..Hα-helixtrans-61.2-47175.400000111.2F9 L18 Y183 C184 C185 L189 T190 L191F9-A187 HydrophobicContact CD2-CB 3.94Å; F9-A187 HydrophobicContact CE2-CB 3.71Å; F9-A187 HydrophobicContact CZ-CB 4.37Å; L18-A187 HydrophobicContact CD1-CB 4.23Å; Y183-A187 VanDerWaalsContact O-CB 3.29Å; Y183-A187 WeakPolarHBondContact O-CB 3.42Å; Y183-A187 PolarHBondContact O-N 2.83Å; C184-A187 PolarHBondContact O-N 3.49Å; C185-A187 VanDerWaalsContact C-N 3.33Å; C185-A187 PolarHBondContact O-N 3.17Å; A187-L189 PolarHBondContact O-N 2.82Å; A187-T190 PolarHBondContact O-N 3.1Å; A187-L191 WeakPolarHBondContact O-CB 3.4Å; A187-L191 VanDerWaalsContact O-CG 3.28Å; A187-L191 WeakPolarHBondContact O-CG 3.26Å; A187-L191 PolarHBondContact O-N 2.88Å
188A84.8Confident78.8Confident0 Ų043.3 Ų43.30%026%0.259CS..Hα-helixtrans-63.6-39.4178.400000112.8L95 L96 C184 C185 R192L95-A188 HydrophobicContact CD2-CB 4.23Å; L95-A188 HydrophobicContact CG-CB 4.28Å; L96-A188 HydrophobicContact CB-CB 3.99Å; L96-A188 HydrophobicContact CD1-CB 4.19Å; C184-A188 WeakPolarHBondContact O-CB 3.41Å; C184-A188 PolarHBondContact O-N 3.08Å; C185-A188 PolarHBondContact O-N 2.97Å; A188-R192 WeakPolarHBondContact O-CG 3.22Å; A188-R192 PolarHBondContact O-N 3.41Å
189L83.3Confident77.2Confident63 Ų6347.1 Ų47.133%0.3327%0.273SS..Hα-helixtrans-63.5-42.8172.7-71.5172.6000111.6L96 C185 V186 A187 R192 G193 V194L96-L189 HydrophobicContact CD1-CD2 3.88Å; L96-L189 HydrophobicContact CD1-CG 3.84Å; L96-L189 HydrophobicContact CD2-CD2 4.21Å; C185-L189 WeakPolarHBondContact O-CG 3.28Å; C185-L189 PolarHBondContact O-N 3.32Å; V186-L189 PolarHBondContact O-N 2.84Å; A187-L189 PolarHBondContact O-N 2.82Å; L189-R192 PolarHBondContact O-N 3.46Å; L189-G193 PolarHBondContact O-N 2.87Å; L189-V194 PolarHBondContact O-N 2.82Å
190T78.3Confident75.5Confident13 Ų1351.2 Ų51.28%0.0828%0.281CS..Hα-helixtrans-66.1-41.8179.3-530000111.5F9 V186 A187 R192 G193 L202F9-T190 HydrophobicContact CB-CG2 4.1Å; V186-T190 WeakPolarHBondContact O-CB 3.32Å; V186-T190 PolarHBondContact O-N 3.24Å; V186-T190 PolarHBondContact O-OG1 3.38Å; A187-T190 PolarHBondContact O-N 3.1Å; T190-R192 PolarHBondContact O-N 2.86Å; T190-G193 PolarHBondContact O-N 3.36Å; T190-G193 VanDerWaalsContact O-N 3.09Å; T190-L202 HydrophobicContact CG2-CD2 3.58Å
191L75.2Confident73.8Confident6 Ų651.8 Ų51.83%0.03130%0.296CS..Hα-helixtrans-62.4-25.5175.7-72.3172000113F9 L86 A187 Q203 L206F9-L191 HydrophobicContact CE1-CD2 4.27Å; L86-L191 HydrophobicContact CD2-CD2 3.86Å; A187-L191 WeakPolarHBondContact O-CB 3.4Å; A187-L191 VanDerWaalsContact O-CG 3.28Å; A187-L191 WeakPolarHBondContact O-CG 3.26Å; A187-L191 PolarHBondContact O-N 2.88Å; L191-Q203 PolarHBondContact O-NE2 3.38Å; L191-L206 HydrophobicContact CD2-CD2 3.8Å
192R75.6Confident72.5Confident61 Ų6152.4 Ų52.423%0.2330%0.299CS..THydrogen-bonded Turntrans-90.9-8.7176.6-67.5179.575.3-159.7-8.2113.7H92 W93 A188 L189 T190 V194H92-R192 HydrophobicContact CB-CG 4.05Å; W93-R192 VanDerWaalsContact CD2-CZ 3.43Å; W93-R192 VanDerWaalsContact CD2-NH1 3.26Å; W93-R192 VanDerWaalsContact CZ2-CZ 3.47Å; A188-R192 WeakPolarHBondContact O-CG 3.22Å; A188-R192 PolarHBondContact O-N 3.41Å; L189-R192 PolarHBondContact O-N 3.46Å; T190-R192 PolarHBondContact O-N 2.86Å; R192-V194 HydrophobicContact CB-CB 4.43Å; R192-V194 HydrophobicContact CB-CG2 4.12Å; R192-V194 PolarHBondContact O-N 3.3Å
193G69.1Low71.2Confident28 Ų2856.7 Ų56.729%0.28932%0.315SS..THydrogen-bonded Turntrans64.716.7-174.100000113.8L189 T190L189-G193 PolarHBondContact O-N 2.87Å; T190-G193 PolarHBondContact O-N 3.36Å; T190-G193 VanDerWaalsContact O-N 3.09Å
194V65.4Low69.7Low86 Ų8656.1 Ų56.152%0.52133%0.327SS..  trans-102.2111.8-178.8179.10000108.5L189 R192L189-V194 PolarHBondContact O-N 2.82Å; R192-V194 HydrophobicContact CB-CB 4.43Å; R192-V194 HydrophobicContact CB-CG2 4.12Å; R192-V194 PolarHBondContact O-N 3.3Å
195G63.3Low68.5Low43 Ų4361.2 Ų61.244%0.44335%0.351SS..SBendtrans133.3179.6172.700000115.2C197 R198G195-C197 PolarHBondContact O-N 2.8Å; G195-R198 PolarHBondContact O-N 2.92Å
196P55.8Low67.5Low143 Ų14361.3 Ų61.393%0.92935%0.351SS*.THydrogen-bonded Turntrans-65.6-4.7-176.524.3-32.1000114.7
197C55.5Low66.4Low34 Ų3464 Ų6423%0.2336%0.359CS..THydrogen-bonded Turntrans-113.929.4-178.7-61.30000112.8C7 G195 K199C7-C197 HydrophobicContact CB-CB 3.45Å; C7-C197 VanDerWaalsContact CB-CB 3.45Å; C7-C197 WeakPolarHBondContact CB-SG 3.37Å; C7-C197 WeakPolarHBondContact SG-CB 3.2Å; C7-C197 CovalentContact SG-SG 2.01Å; C7-C197 PolarHBondContact SG-SG 3.45Å; G195-C197 PolarHBondContact O-N 2.8Å; C197-K199 PolarHBondContact O-N 3.49Å
198R55.8Low65.6Low159 Ų15970.5 Ų70.560%0.639%0.39SS*.  trans-58.1120.3175.6-168.8169.695.81703.8110.3G195 E200G195-R198 PolarHBondContact O-N 2.92Å; R198-E200 HydrophobicContact CG-CG 4.17Å; R198-E200 IonicContact CZ-OE1 3.57Å; R198-E200 IonicContact NE-OE1 2.87Å; R198-E200 PolarHBondContact NE-OE1 2.98Å; R198-E200 IonicContact NH2-OE1 3.89Å; R198-E200 PolarHBondContact NH2-OE1 2.87Å
199K58.8Low64.4Low94 Ų9473.2 Ų73.241%0.40940%0.403SS..  trans-110.1103.9165-73.9-177.8178.5178.20107.4F9 C197 G201 L202F9-K199 PolarHBondContact O-NZ 2.8Å; C197-K199 PolarHBondContact O-N 3.49Å; K199-G201 PolarHBondContact O-N 3.29Å; K199-G201 VanDerWaalsContact O-N 3.13Å; K199-L202 HydrophobicContact CB-CB 3.7Å; K199-L202 HydrophobicContact CD-CD1 3.92Å; K199-L202 HydrophobicContact CD-CD2 4.46Å; K199-L202 PolarHBondContact O-N 3.33Å; K199-L202 VanDerWaalsContact O-N 3.16Å
200E55.3Low63.4Low155 Ų15572.4 Ų72.472%0.72440%0.398SS*.THydrogen-bonded Turntrans-63.1-18-172.1-67.1160.8155.600113.8R198R198-E200 HydrophobicContact CG-CG 4.17Å; R198-E200 IonicContact CZ-OE1 3.57Å; R198-E200 IonicContact NE-OE1 2.87Å; R198-E200 PolarHBondContact NE-OE1 2.98Å; R198-E200 IonicContact NH2-OE1 3.89Å; R198-E200 PolarHBondContact NH2-OE1 2.87Å
201G57Low62.8Low52 Ų5278.6 Ų78.654%0.53643%0.427SS..THydrogen-bonded Turntrans-107.90.8176.500000115.9K199 Q205K199-G201 PolarHBondContact O-N 3.29Å; K199-G201 VanDerWaalsContact O-N 3.13Å; G201-Q205 WeakPolarHBondContact O-CB 3.28Å; G201-Q205 PolarHBondContact O-N 2.93Å; G201-Q205 VanDerWaalsContact O-N 3.13Å
202L63.7Low62.1Low13 Ų1384 Ų847%0.06846%0.455CS..Hα-helixtrans-71.8-35.9-173.6-16781.3000112.7F9 A11 T190 K199 L206F9-L202 HydrophobicContact CD1-CD2 4.33Å; A11-L202 HydrophobicContact CB-CD1 3.35Å; A11-L202 HydrophobicContact CB-CG 4.03Å; T190-L202 HydrophobicContact CG2-CD2 3.58Å; K199-L202 HydrophobicContact CB-CB 3.7Å; K199-L202 HydrophobicContact CD-CD1 3.92Å; K199-L202 HydrophobicContact CD-CD2 4.46Å; K199-L202 PolarHBondContact O-N 3.33Å; K199-L202 VanDerWaalsContact O-N 3.16Å; L202-L206 WeakPolarHBondContact O-CB 3.25Å; L202-L206 PolarHBondContact O-N 3.02Å
203Q62Low61.5Low108 Ų10886.8 Ų86.851%0.50547%0.47SS..Hα-helixtrans-65.3-48.2176.8-84-173.4-25.600111L191 Q205 L206 E207L191-Q203 PolarHBondContact O-NE2 3.38Å; Q203-Q205 PolarHBondContact O-N 3.46Å; Q203-L206 PolarHBondContact O-N 2.82Å; Q203-E207 WeakPolarHBondContact O-CB 3.41Å; Q203-E207 PolarHBondContact O-N 3.41Å
204G58.8Low61Low48 Ų4888.5 Ų88.550%0.49548%0.478SS..Hα-helixtrans-61-43.2177.400000112.8L206 E207 E208G204-L206 VanDerWaalsContact C-N 3.33Å; G204-L206 PolarHBondContact O-N 2.98Å; G204-E207 PolarHBondContact O-N 2.91Å; G204-E208 WeakPolarHBondContact O-CB 3.31Å; G204-E208 PolarHBondContact O-N 3.31Å
205Q63.3Low60.7Low107 Ų10787.7 Ų87.750%0.548%0.475SS..Hα-helixtrans-67-35177.7-159.1-175.723.600112.6G201 Q203 M209G201-Q205 WeakPolarHBondContact O-CB 3.28Å; G201-Q205 PolarHBondContact O-N 2.93Å; G201-Q205 VanDerWaalsContact O-N 3.13Å; Q203-Q205 PolarHBondContact O-N 3.46Å; Q205-M209 HydrophobicContact CG-CE 4.33Å; Q205-M209 WeakPolarHBondContact O-CE 3.27Å; Q205-M209 WeakPolarHBondContact O-CG 3.36Å; Q205-M209 PolarHBondContact O-N 2.84Å
206L67.2Low60.6Low18 Ų1892.6 Ų92.69%0.09448%0.484CS..Hα-helixtrans-69.6-40.1175.7178.370.4000111.5L86 L191 L202 Q203 G204 M209 I210L86-L206 HydrophobicContact CB-CD2 4.09Å; L86-L206 HydrophobicContact CD2-CD1 3.65Å; L86-L206 HydrophobicContact CD2-CD2 3.41Å; L86-L206 VanDerWaalsContact CD2-CD2 3.41Å; L86-L206 HydrophobicContact CD2-CG 4.04Å; L86-L206 HydrophobicContact CG-CD2 4.36Å; L191-L206 HydrophobicContact CD2-CD2 3.8Å; L202-L206 WeakPolarHBondContact O-CB 3.25Å; L202-L206 PolarHBondContact O-N 3.02Å; Q203-L206 PolarHBondContact O-N 2.82Å; G204-L206 VanDerWaalsContact C-N 3.33Å; G204-L206 PolarHBondContact O-N 2.98Å; L206-M209 PolarHBondContact O-N 2.64Å; L206-I210 HydrophobicContact CD1-CD1 3.94Å; L206-I210 HydrophobicContact CD1-CG1 4.36Å; L206-I210 HydrophobicContact CD2-CD1 4.47Å; L206-I210 HydrophobicContact CG-CD1 3.81Å; L206-I210 WeakPolarHBondContact O-CB 3.44Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.41Å
207E62.8Low60.9Low111 Ų11191.7 Ų91.752%0.51947%0.467SS..Hα-helixtrans-63.6-44.6176.5-153.6154.2152.100110.7L87 Q203 G204 M209 I210 E211L87-E207 HydrophobicContact CD2-CG 4.29Å; Q203-E207 WeakPolarHBondContact O-CB 3.41Å; Q203-E207 PolarHBondContact O-N 3.41Å; G204-E207 PolarHBondContact O-N 2.91Å; E207-M209 PolarHBondContact O-N 3.28Å; E207-I210 PolarHBondContact O-N 2.91Å; E207-E211 VanDerWaalsContact O-CB 3.31Å; E207-E211 WeakPolarHBondContact O-CB 3.41Å; E207-E211 PolarHBondContact O-N 3.49Å
208E65.9Low61.2Low139 Ų13996.6 Ų96.665%0.6548%0.484SS*.Hα-helixtrans-61.1-44.1174.8-169-172.5126.800112.5G204 E211 L212G204-E208 WeakPolarHBondContact O-CB 3.31Å; G204-E208 PolarHBondContact O-N 3.31Å; E208-E211 PolarHBondContact O-N 3.03Å; E208-L212 PolarHBondContact O-N 2.78Å
209M60.3Low61.8Low57 Ų5796.9 Ų96.928%0.28149%0.485SS..Hα-helixtrans-68.1-37.3178.5-75.6-171.8-65.100112.9A11 A12 Q205 L206 E207 L212 E213A11-M209 VanDerWaalsContact C-CE 3.41Å; A11-M209 HydrophobicContact CB-CE 3.58Å; A11-M209 WeakPolarHBondContact O-CE 3.26Å; A12-M209 HydrophobicContact CB-CE 4.36Å; A12-M209 HydrophobicContact CB-SD 3.99Å; Q205-M209 HydrophobicContact CG-CE 4.33Å; Q205-M209 WeakPolarHBondContact O-CE 3.27Å; Q205-M209 WeakPolarHBondContact O-CG 3.36Å; Q205-M209 PolarHBondContact O-N 2.84Å; L206-M209 PolarHBondContact O-N 2.64Å; E207-M209 PolarHBondContact O-N 3.28Å; M209-L212 PolarHBondContact O-N 3.46Å; M209-E213 WeakPolarHBondContact O-CB 3.19Å; M209-E213 PolarHBondContact O-N 2.94Å
210I62.6Low62.3Low45 Ų4598 Ų9823%0.23149%0.492CS..Hα-helixtrans-71.6-39176.6-67.7168.3000110.6L86 L87 L206 E207 L212 E213 S214L86-I210 HydrophobicContact CB-CD1 3.82Å; L86-I210 HydrophobicContact CD1-CD1 4.4Å; L87-I210 HydrophobicContact CD1-CB 4.47Å; L87-I210 HydrophobicContact CD1-CD1 4.12Å; L87-I210 HydrophobicContact CD1-CG2 3.79Å; L206-I210 HydrophobicContact CD1-CD1 3.94Å; L206-I210 HydrophobicContact CD1-CG1 4.36Å; L206-I210 HydrophobicContact CD2-CD1 4.47Å; L206-I210 HydrophobicContact CG-CD1 3.81Å; L206-I210 WeakPolarHBondContact O-CB 3.44Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.41Å; E207-I210 PolarHBondContact O-N 2.91Å; I210-L212 PolarHBondContact O-N 2.94Å; I210-E213 PolarHBondContact O-N 3.32Å; I210-E213 VanDerWaalsContact O-N 3.15Å; I210-S214 WeakPolarHBondContact O-CB 3.26Å; I210-S214 PolarHBondContact O-N 2.87Å
211E64.4Low63.2Low144 Ų14495.1 Ų95.167%0.67348%0.478SS*.Hα-helixtrans-63.9-25173.6-168.3172.4-170.100111.8E207 E208 P215E207-E211 VanDerWaalsContact O-CB 3.31Å; E207-E211 WeakPolarHBondContact O-CB 3.41Å; E207-E211 PolarHBondContact O-N 3.49Å; E208-E211 PolarHBondContact O-N 3.03Å; E211-P215 WeakPolarHBondContact O-CD 2.99Å; E211-P215 WeakPolarHBondContact O-CG 3.35Å
212L62.5Low64.1Low120 Ų12097.5 Ų97.563%0.62848%0.479SS*.Hα-helixtrans-82.8-30.2172-147.980.1000113.5E208 M209 I210 P215E208-L212 PolarHBondContact O-N 2.78Å; M209-L212 PolarHBondContact O-N 3.46Å; I210-L212 PolarHBondContact O-N 2.94Å; L212-P215 WeakPolarHBondContact O-CG 3.33Å
213E62Low64.9Low118 Ų118101.7 Ų101.755%0.55150%0.498SS*.Hα-helixtrans-83.2-34.3-178.4-164.9153.1-159.900112.5M209 I210 K216 H217M209-E213 WeakPolarHBondContact O-CB 3.19Å; M209-E213 PolarHBondContact O-N 2.94Å; I210-E213 PolarHBondContact O-N 3.32Å; I210-E213 VanDerWaalsContact O-N 3.15Å; E213-K216 PolarHBondContact O-N 3.2Å; E213-H217 PolarHBondContact O-N 2.8Å
214S57.7Low65.9Low64 Ų64102.8 Ų102.845%0.44850%0.503SS..Hα-helixtrans-56.3-50.3173.3176.20000114.9I210 K216 H217 K218I210-S214 WeakPolarHBondContact O-CB 3.26Å; I210-S214 PolarHBondContact O-N 2.87Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 2.94Å; S214-H217 PolarHBondContact O-N 3.36Å; S214-K218 PolarHBondContact O-N 2.96Å
215P60.6Low67Low70 Ų70105 Ų10546%0.45550%0.503SS..Hα-helixtrans-69.3-29.7178.125.3-33.3000112.1E211 L212 R219E211-P215 WeakPolarHBondContact O-CD 2.99Å; E211-P215 WeakPolarHBondContact O-CG 3.35Å; L212-P215 WeakPolarHBondContact O-CG 3.33Å; P215-R219 WeakPolarHBondContact O-CB 3.41Å; P215-R219 PolarHBondContact O-N 3.16Å
216K60.9Low67.9Low145 Ų145105.5 Ų105.563%0.6351%0.509SS*.Hα-helixtrans-66.7-46.7172.4-86.9-175.7176.5178.30111.9E213 S214 R219 Q220E213-K216 PolarHBondContact O-N 3.2Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 2.94Å; K216-R219 PolarHBondContact O-N 3Å; K216-Q220 WeakPolarHBondContact O-CB 3.25Å; K216-Q220 PolarHBondContact O-N 3.5Å
217H61.8Low68.7Low125 Ų125109.6 Ų109.658%0.57953%0.531SS*.Hα-helixtrans-61.2-46.7177.1-173.4-72.2000111.4E213 S214 R219 Q220 E221E213-H217 PolarHBondContact O-N 2.8Å; S214-H217 PolarHBondContact O-N 3.36Å; H217-R219 PolarHBondContact O-N 3.22Å; H217-Q220 PolarHBondContact O-N 3.13Å; H217-E221 IonicContact CE1-OE2 3.34Å; H217-E221 IonicContact ND1-OE2 2.62Å; H217-E221 WeakPolarHBondContact O-CB 3.41Å; H217-E221 PolarHBondContact O-N 2.98Å
218K61Low69.6Low136 Ų136109.9 Ų109.959%0.59153%0.532SS*.Hα-helixtrans-62.3-40176-79.8-167.8176.4-1730113.1S214 Q220 N222S214-K218 PolarHBondContact O-N 2.96Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-N222 WeakPolarHBondContact O-CB 3.36Å; K218-N222 PolarHBondContact O-N 2.86Å; K218-N222 PolarHBondContact O-ND2 3.37Å
219R68.3Low70.4Confident166 Ų166106.3 Ų106.363%0.62652%0.523SS*.Hα-helixtrans-62.4-44.4175.5177.5-176-111.2-936.3111P215 K216 H217 N222 E223P215-R219 WeakPolarHBondContact O-CB 3.41Å; P215-R219 PolarHBondContact O-N 3.16Å; K216-R219 PolarHBondContact O-N 3Å; H217-R219 PolarHBondContact O-N 3.22Å; R219-N222 PolarHBondContact O-N 3.32Å; R219-E223 WeakPolarHBondContact CG-OE1 3.36Å; R219-E223 IonicContact CZ-OE1 3.54Å; R219-E223 IonicContact NH1-OE1 3.29Å; R219-E223 PolarHBondContact NH1-OE1 3.15Å; R219-E223 WeakPolarHBondContact O-CB 3.33Å; R219-E223 WeakPolarHBondContact O-CG 3.46Å; R219-E223 PolarHBondContact O-N 3.42Å
220Q70.4Confident71.5Confident118 Ų118109.7 Ų109.755%0.55154%0.538SS*.Hα-helixtrans-69.2-37.6-177.8-161.4173-6.100112.1K216 H217 K218 E223 Q224K216-Q220 WeakPolarHBondContact O-CB 3.25Å; K216-Q220 PolarHBondContact O-N 3.5Å; H217-Q220 PolarHBondContact O-N 3.13Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; Q220-E223 PolarHBondContact O-N 2.89Å; Q220-Q224 WeakPolarHBondContact O-CG 2.8Å; Q220-Q224 PolarHBondContact O-N 3.21Å
221E73.4Confident72.4Confident93 Ų93114.4 Ų114.444%0.43556%0.559SS.*Hα-helixtrans-64.6-43172.3-171.3-179.4146.900111.6H217 E223 Q224 L225H217-E221 IonicContact CE1-OE2 3.34Å; H217-E221 IonicContact ND1-OE2 2.62Å; H217-E221 WeakPolarHBondContact O-CB 3.41Å; H217-E221 PolarHBondContact O-N 2.98Å; E221-E223 VanDerWaalsContact C-N 3.35Å; E221-E223 PolarHBondContact O-N 3.45Å; E221-Q224 PolarHBondContact O-N 2.96Å; E221-L225 HydrophobicContact CG-CD1 4.48Å; E221-L225 WeakPolarHBondContact O-CG 3.29Å; E221-L225 PolarHBondContact O-N 2.98Å
222N75.6Confident73.2Confident103 Ų103112 Ų11255%0.55155%0.55SS*.Hα-helixtrans-64.7-37.7175.6-71.6-16.7000112.5K218 R219 L226K218-N222 WeakPolarHBondContact O-CB 3.36Å; K218-N222 PolarHBondContact O-N 2.86Å; K218-N222 PolarHBondContact O-ND2 3.37Å; R219-N222 PolarHBondContact O-N 3.32Å; N222-L226 WeakPolarHBondContact O-CB 2.96Å; N222-L226 PolarHBondContact O-N 2.9Å
223E82.4Confident73.9Confident101 Ų101111.6 Ų111.647%0.47254%0.544SS..Hα-helixtrans-65.9-39.3175.5-75.7170.2-178.300111.3R219 Q220 E221 L226 D227R219-E223 WeakPolarHBondContact CG-OE1 3.36Å; R219-E223 IonicContact CZ-OE1 3.54Å; R219-E223 IonicContact NH1-OE1 3.29Å; R219-E223 PolarHBondContact NH1-OE1 3.15Å; R219-E223 WeakPolarHBondContact O-CB 3.33Å; R219-E223 WeakPolarHBondContact O-CG 3.46Å; R219-E223 PolarHBondContact O-N 3.42Å; Q220-E223 PolarHBondContact O-N 2.89Å; E221-E223 VanDerWaalsContact C-N 3.35Å; E221-E223 PolarHBondContact O-N 3.45Å; E223-L226 PolarHBondContact O-N 3.11Å; E223-D227 PolarHBondContact O-N 3.19Å; E223-D227 VanDerWaalsContact O-N 3.14Å
224Q81.3Confident74.7Confident131 Ų131109 Ų10961%0.61254%0.544SS*.Hα-helixtrans-66.8-43174.9-75.3177.6-18.600113.1Q220 E221 L226 D227 E228Q220-Q224 WeakPolarHBondContact O-CG 2.8Å; Q220-Q224 PolarHBondContact O-N 3.21Å; E221-Q224 PolarHBondContact O-N 2.96Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.47Å; Q224-D227 PolarHBondContact O-N 2.82Å; Q224-E228 PolarHBondContact O-N 2.1Å
225L82.2Confident75.5Confident94 Ų94108.9 Ų108.949%0.49254%0.542SS..Hα-helixtrans-65.9-32.6176.5-71.8171.2000112.4E221 S229E221-L225 HydrophobicContact CG-CD1 4.48Å; E221-L225 WeakPolarHBondContact O-CG 3.29Å; E221-L225 PolarHBondContact O-N 2.98Å; L225-S229 WeakPolarHBondContact O-CB 3.14Å; L225-S229 PolarHBondContact O-N 2.86Å
226L82.3Confident76.2Confident117 Ų117112 Ų11261%0.61355%0.551SS**Hα-helixtrans-71.2-38.4178.2-159.873.4000111.8N222 E223 Q224 S229 Q230N222-L226 WeakPolarHBondContact O-CB 2.96Å; N222-L226 PolarHBondContact O-N 2.9Å; E223-L226 PolarHBondContact O-N 3.11Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.47Å; L226-S229 PolarHBondContact O-N 3.19Å; L226-Q230 PolarHBondContact O-N 2.96Å
227D83.6Confident76.7Confident104 Ų104114.3 Ų114.356%0.55656%0.556SS**Hα-helixtrans-65.5-46.3175.4-159.460000111E223 Q224 S229 Q230 E231E223-D227 PolarHBondContact O-N 3.19Å; E223-D227 VanDerWaalsContact O-N 3.14Å; Q224-D227 PolarHBondContact O-N 2.82Å; D227-S229 VanDerWaalsContact C-N 3.33Å; D227-S229 PolarHBondContact O-N 3.1Å; D227-Q230 PolarHBondContact O-N 3.46Å; D227-Q230 VanDerWaalsContact O-N 3.14Å; D227-E231 PolarHBondContact O-N 3.36Å
228E83.4Confident77Confident117 Ų117113 Ų11355%0.54756%0.56SS.*Hα-helixtrans-60.6-42175-168.5-175.3102.300111.6Q224 Q230 E231 I232Q224-E228 PolarHBondContact O-N 2.1Å; E228-Q230 VanDerWaalsContact C-N 3.33Å; E228-Q230 PolarHBondContact O-N 3.25Å; E228-E231 PolarHBondContact O-N 3.22Å; E228-I232 HydrophobicContact CG-CD1 4.26Å; E228-I232 VanDerWaalsContact O-CG1 3.3Å; E228-I232 WeakPolarHBondContact O-CG1 3.42Å; E228-I232 PolarHBondContact O-N 3.13Å
229S82.8Confident76.8Confident65 Ų65116.7 Ų116.746%0.45557%0.571SS.*Hα-helixtrans-65.7-34.2176.5-175.60000112.8L225 L226 D227 Q233L225-S229 WeakPolarHBondContact O-CB 3.14Å; L225-S229 PolarHBondContact O-N 2.86Å; L226-S229 PolarHBondContact O-N 3.19Å; D227-S229 VanDerWaalsContact C-N 3.33Å; D227-S229 PolarHBondContact O-N 3.1Å; S229-Q233 WeakPolarHBondContact O-CB 3.38Å; S229-Q233 PolarHBondContact O-N 3.19Å; S229-Q233 VanDerWaalsContact O-N 3.15Å
230Q83.3Confident75.9Confident127 Ų127117.7 Ų117.759%0.59360%0.595SS**Hα-helixtrans-70.6-40.2175.6-86.8-169.1-12.700111.8L226 D227 E228 Q233 A234L226-Q230 PolarHBondContact O-N 2.96Å; D227-Q230 PolarHBondContact O-N 3.46Å; D227-Q230 VanDerWaalsContact O-N 3.14Å; E228-Q230 VanDerWaalsContact C-N 3.33Å; E228-Q230 PolarHBondContact O-N 3.25Å; Q230-Q233 PolarHBondContact O-N 2.92Å; Q230-A234 WeakPolarHBondContact O-CB 3.4Å; Q230-A234 PolarHBondContact O-N 3.36Å
231E80.7Confident76.2Confident145 Ų145117.7 Ų117.768%0.67860%0.597SS**Hα-helixtrans-61.2-44.1174.2-85.2-145.9104.300112D227 E228 Q233 A234 S235D227-E231 PolarHBondContact O-N 3.36Å; E228-E231 PolarHBondContact O-N 3.22Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.16Å; E231-A234 PolarHBondContact O-N 3.02Å; E231-S235 WeakPolarHBondContact O-CB 3.13Å; E231-S235 PolarHBondContact O-N 2.69Å
232I80.6Confident76.4Confident94 Ų94118.9 Ų118.948%0.48261%0.605SS.*Hα-helixtrans-61.3-42.1177.3-67.2166.3000110.6E228 S235 Q236E228-I232 HydrophobicContact CG-CD1 4.26Å; E228-I232 VanDerWaalsContact O-CG1 3.3Å; E228-I232 WeakPolarHBondContact O-CG1 3.42Å; E228-I232 PolarHBondContact O-N 3.13Å; I232-S235 PolarHBondContact O-N 3.4Å; I232-Q236 PolarHBondContact O-N 3.4Å
233Q77.4Confident76.4Confident110 Ų110119.8 Ų119.851%0.51461%0.608SS.*Hα-helixtrans-72.3-35.2-178.9-153-178.910.800112.6S229 Q230 E231 R237S229-Q233 WeakPolarHBondContact O-CB 3.38Å; S229-Q233 PolarHBondContact O-N 3.19Å; S229-Q233 VanDerWaalsContact O-N 3.15Å; Q230-Q233 PolarHBondContact O-N 2.92Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.16Å; Q233-R237 PolarHBondContact O-N 3.03Å; Q233-R237 VanDerWaalsContact O-N 3.1Å
234A78.6Confident76Confident65 Ų65120.9 Ų120.954%0.53762%0.616SS.*Hα-helixtrans-68.3-41.5173.600000111.5Q230 E231 R237 S238Q230-A234 WeakPolarHBondContact O-CB 3.4Å; Q230-A234 PolarHBondContact O-N 3.36Å; E231-A234 PolarHBondContact O-N 3.02Å; A234-R237 PolarHBondContact O-N 2.81Å; A234-S238 PolarHBondContact O-N 3.14Å
235S76.3Confident75.7Confident60 Ų60120.3 Ų120.342%0.4262%0.617SS.*Hα-helixtrans-59.1-51.3172.2-175.70000110.2E231 I232 R237 S238E231-S235 WeakPolarHBondContact O-CB 3.13Å; E231-S235 PolarHBondContact O-N 2.69Å; I232-S235 PolarHBondContact O-N 3.4Å; S235-R237 VanDerWaalsContact C-N 3.3Å; S235-R237 PolarHBondContact O-N 2.83Å; S235-S238 VanDerWaalsContact O-CB 3.3Å; S235-S238 WeakPolarHBondContact O-CB 3.25Å; S235-S238 PolarHBondContact O-N 2.91Å
236Q73.9Confident75.3Confident135 Ų135122.1 Ų122.163%0.63163%0.625SS**Hα-helixtrans-58.5-35.4177.8-78.7-165.7-50.300114.3I232 S238 W239I232-Q236 PolarHBondContact O-N 3.4Å; Q236-S238 VanDerWaalsContact C-N 3.28Å; Q236-S238 PolarHBondContact O-N 3.4Å; Q236-W239 PolarHBondContact O-N 3.09Å
237R72.4Confident74.8Confident195 Ų195122.4 Ų122.474%0.73663%0.626SS**Hα-helixtrans-71.1-20.7174.7-79.2-171.9-176.9-1783.4113.9Q233 A234 S235 W239Q233-R237 PolarHBondContact O-N 3.03Å; Q233-R237 VanDerWaalsContact O-N 3.1Å; A234-R237 PolarHBondContact O-N 2.81Å; S235-R237 VanDerWaalsContact C-N 3.3Å; S235-R237 PolarHBondContact O-N 2.83Å; R237-W239 VanDerWaalsContact C-N 3.35Å
238S67.3Low74.1Confident96 Ų96123.8 Ų123.867%0.67163%0.631SS**Hα-helixtrans-79-16.2177.9179.60000113.5A234 S235 Q236A234-S238 PolarHBondContact O-N 3.14Å; S235-S238 VanDerWaalsContact O-CB 3.3Å; S235-S238 WeakPolarHBondContact O-CB 3.25Å; S235-S238 PolarHBondContact O-N 2.91Å; Q236-S238 VanDerWaalsContact C-N 3.28Å; Q236-S238 PolarHBondContact O-N 3.4Å
239W57.8Low73.3Confident215 Ų215124.4 Ų124.481%0.81464%0.638SS**THydrogen-bonded Turntrans-102.55.9-177.8-61.398.9000113.7Q236 R237Q236-W239 PolarHBondContact O-N 3.09Å; R237-W239 VanDerWaalsContact C-N 3.35Å
240V49.1Very low72.5Confident186 Ų186129.8 Ų129.8100%1.12766%0.655SS**  trans-109.20177.7-178.10000110.3

Retrieved 240 of 240 residues in 81.8 ms (Link to these results)