A0A5K4EGR0_SCHMA Loading...

Ras-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EGR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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
1M56.8Low81.9Confident200 Ų20083.9 Ų83.999%0.98540%0.397SS*.  0-28.40-78.2-106.5-119.200111F3M1-F3 PolarHBondContact O-N 3.41Å
2D78Confident82.7Confident99 Ų9983.3 Ų83.353%0.52939%0.388SS..Hα-helixtrans-70.5-29.1-169.6-49.3-61.5000114.7F4 N5 V6 L64D2-F4 PolarHBondContact O-N 2.67Å; D2-N5 WeakPolarHBondContact O-CB 3.08Å; D2-N5 PolarHBondContact O-N 2.91Å; D2-V6 PolarHBondContact O-N 2.71Å; D2-L64 HydrophobicContact CB-CD1 4.24Å; D2-L64 HydrophobicContact CB-CD2 4.05Å
3F83.6Confident83.3Confident23 Ų2386.2 Ų86.210%0.10142%0.415CS..Hα-helixtrans-56.2-44176.8171.6-99.9000113.4M1 N5 V6 I7 L19 F50 I61 L65 C86M1-F3 PolarHBondContact O-N 3.41Å; F3-N5 PolarHBondContact O-N 2.67Å; F3-V6 WeakPolarHBondContact O-CG2 3.42Å; F3-V6 PolarHBondContact O-N 3.32Å; F3-I7 HydrophobicContact CD1-CD1 4.21Å; F3-I7 HydrophobicContact CE1-CD1 3.57Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CZ-CD1 3.8Å; F3-I7 HydrophobicContact CZ-CG1 4.45Å; F3-L19 HydrophobicContact CE1-CD1 4.04Å; F3-F50 HydrophobicContact CZ-CZ 4.02Å; F3-I61 HydrophobicContact CD2-CG2 4.04Å; F3-I61 HydrophobicContact CE2-CG2 3.6Å; F3-L65 HydrophobicContact CD2-CD2 3.73Å; F3-L65 HydrophobicContact CD2-CG 4.09Å; F3-L65 HydrophobicContact CE2-CD1 4.2Å; F3-L65 HydrophobicContact CE2-CD2 3.51Å; F3-L65 HydrophobicContact CE2-CG 3.91Å; F3-L65 HydrophobicContact CZ-CD2 4.24Å; F3-C86 HydrophobicContact CZ-CB 4.48Å
4F85Confident84Confident66 Ų6684.4 Ų84.429%0.28942%0.417SS..Hα-helixtrans-70.6-23.4179.7-66.8-69.2000112.6D2 V6 I7 R12 V15 L19D2-F4 PolarHBondContact O-N 2.67Å; F4-V6 VanDerWaalsContact C-N 3.31Å; F4-V6 PolarHBondContact O-N 3.25Å; F4-I7 HydrophobicContact CD1-CD1 4.16Å; F4-I7 PolarHBondContact O-N 3.13Å; F4-R12 VanDerWaalsContact O-CD 3.25Å; F4-R12 WeakPolarHBondContact O-CD 3.25Å; F4-R12 WeakPolarHBondContact O-CG 3.46Å; F4-R12 PolarHBondContact O-NE 2.71Å; F4-R12 VanDerWaalsContact O-NE 3.11Å; F4-V15 HydrophobicContact CE1-CG1 4.23Å; F4-L19 HydrophobicContact CE1-CD1 3.96Å; F4-L19 HydrophobicContact CZ-CD1 4.09Å
5N84.2Confident84.6Confident92 Ų9278.9 Ų78.949%0.49239%0.389SS..Hα-helixtrans-73.3-24.1179.2-67.4-28.2000112.5D2 F3 R12D2-N5 WeakPolarHBondContact O-CB 3.08Å; D2-N5 PolarHBondContact O-N 2.91Å; F3-N5 PolarHBondContact O-N 2.67Å; N5-R12 PolarHBondContact O-NH2 3.03Å
6V85.7Confident85.2Confident29 Ų2976.7 Ų76.718%0.17638%0.384CS..Hα-helixtrans-89.8-12.6177-67.20000113.5D2 F3 F4 I61 L64D2-V6 PolarHBondContact O-N 2.71Å; F3-V6 WeakPolarHBondContact O-CG2 3.42Å; F3-V6 PolarHBondContact O-N 3.32Å; F4-V6 VanDerWaalsContact C-N 3.31Å; F4-V6 PolarHBondContact O-N 3.25Å; V6-I61 HydrophobicContact CB-CG1 3.95Å; V6-I61 HydrophobicContact CG2-CB 4.4Å; V6-I61 HydrophobicContact CG2-CD1 4.33Å; V6-I61 HydrophobicContact CG2-CG1 3.35Å; V6-L64 HydrophobicContact CG1-CD1 4.09Å; V6-L64 HydrophobicContact CG2-CD1 3.75Å
7I85.6Confident85.8Confident3 Ų375.6 Ų75.62%0.01539%0.386CS..SBendtrans-71.7140.9172.2-63.5-178.9000109.8F3 F4 F9 D11 R12 V15F3-I7 HydrophobicContact CD1-CD1 4.21Å; F3-I7 HydrophobicContact CE1-CD1 3.57Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CZ-CD1 3.8Å; F3-I7 HydrophobicContact CZ-CG1 4.45Å; F4-I7 HydrophobicContact CD1-CD1 4.16Å; F4-I7 PolarHBondContact O-N 3.13Å; I7-F9 PolarHBondContact O-N 3.5Å; I7-D11 HydrophobicContact CG2-CB 4.14Å; I7-R12 HydrophobicContact CB-CG 4.14Å; I7-R12 HydrophobicContact CG2-CG 4.16Å; I7-R12 PolarHBondContact O-NE 3.22Å; I7-V15 HydrophobicContact CD1-CB 4.1Å; I7-V15 HydrophobicContact CD1-CG1 3.61Å; I7-V15 HydrophobicContact CD1-CG2 4.36Å; I7-V15 HydrophobicContact CG2-CG2 4.37Å
8P82Confident86.4Confident34 Ų3471.7 Ų71.722%0.22137%0.366CS..  trans-49.5130.8173.3-28.535.4000112.4R10 D11 R12P8-R10 VanDerWaalsContact C-N 3.25Å; P8-R10 PolarHBondContact O-N 3.28Å; P8-R10 VanDerWaalsContact O-N 3.07Å; P8-D11 PolarHBondContact O-N 3.16Å; P8-R12 PolarHBondContact O-N 3.21Å
9F84.3Confident86.9Confident172 Ų17268.5 Ų68.575%0.75435%0.35SS*.G310 helixtrans-48.8-44-170.6-179.8-98.9000113.9I7 D11 R12I7-F9 PolarHBondContact O-N 3.5Å; F9-D11 PolarHBondContact O-N 3.5Å; F9-R12 PolarHBondContact O-N 3.44Å
10R87.6Confident87.3Confident183 Ų18368.6 Ų68.669%0.69135%0.354SS*.G310 helixtrans-61.3-25.4-179.272.7-176.8-179-172.1-5.3114.3P8P8-R10 VanDerWaalsContact C-N 3.25Å; P8-R10 PolarHBondContact O-N 3.28Å; P8-R10 VanDerWaalsContact O-N 3.07Å
11D88.6Confident87.7Confident22 Ų2269 Ų6912%0.11835%0.354CS..G310 helixtrans-101.2-14.1-173-60.8-59.4000111.8I7 P8 F9 T13 S14 V15 V49I7-D11 HydrophobicContact CG2-CB 4.14Å; P8-D11 PolarHBondContact O-N 3.16Å; F9-D11 PolarHBondContact O-N 3.5Å; D11-T13 PolarHBondContact O-N 3.44Å; D11-S14 PolarHBondContact O-N 2.9Å; D11-V15 HydrophobicContact CB-CG2 4.48Å; D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.25Å; D11-V49 HydrophobicContact CB-CG1 3.81Å; D11-V49 HydrophobicContact CB-CG2 4.36Å
12R90.9Very high89.6Confident76 Ų7659.5 Ų59.529%0.28731%0.307SS..Hα-helixtrans-55.7-50.9-172.1-68.9-176.1-175.8174.61.4113.8F4 N5 I7 P8 F9 S14 V15 S16F4-R12 VanDerWaalsContact O-CD 3.25Å; F4-R12 WeakPolarHBondContact O-CD 3.25Å; F4-R12 WeakPolarHBondContact O-CG 3.46Å; F4-R12 PolarHBondContact O-NE 2.71Å; F4-R12 VanDerWaalsContact O-NE 3.11Å; N5-R12 PolarHBondContact O-NH2 3.03Å; I7-R12 HydrophobicContact CB-CG 4.14Å; I7-R12 HydrophobicContact CG2-CG 4.16Å; I7-R12 PolarHBondContact O-NE 3.22Å; P8-R12 PolarHBondContact O-N 3.21Å; F9-R12 PolarHBondContact O-N 3.44Å; R12-S14 VanDerWaalsContact C-N 3.35Å; R12-S14 PolarHBondContact O-N 3.25Å; R12-V15 PolarHBondContact O-N 3.38Å; R12-S16 WeakPolarHBondContact O-CB 3.25Å; R12-S16 PolarHBondContact O-N 3.36Å
13T90.8Very high90.4Very high121 Ų12160.6 Ų60.674%0.74230%0.304SS*.Hα-helixtrans-63.3-43.4-178.4-52.80000111.1D11 S16 S17D11-T13 PolarHBondContact O-N 3.44Å; T13-S16 PolarHBondContact O-N 2.59Å; T13-S17 WeakPolarHBondContact O-CB 2.67Å; T13-S17 PolarHBondContact O-N 3.09Å
14S92.5Very high90.9Very high62 Ų6265.6 Ų65.643%0.43433%0.332SS..Hα-helixtrans-63.4-49.4177.7-175.90000110.8D11 R12 S16 S17 T18D11-S14 PolarHBondContact O-N 2.9Å; R12-S14 VanDerWaalsContact C-N 3.35Å; R12-S14 PolarHBondContact O-N 3.25Å; S14-S16 VanDerWaalsContact C-N 3.35Å; S14-S16 PolarHBondContact O-N 3.03Å; S14-S17 PolarHBondContact O-N 3.47Å; S14-T18 WeakPolarHBondContact O-CB 3.49Å; S14-T18 PolarHBondContact O-N 2.75Å; S14-T18 PolarHBondContact O-OG1 3.47Å
15V93.9Very high91.4Very high1 Ų164.5 Ų64.51%0.00633%0.332CS..Hα-helixtrans-60.9-44.4179.3174.60000111.2F4 I7 D11 R12 S17 T18 L19 L46 V49F4-V15 HydrophobicContact CE1-CG1 4.23Å; I7-V15 HydrophobicContact CD1-CB 4.1Å; I7-V15 HydrophobicContact CD1-CG1 3.61Å; I7-V15 HydrophobicContact CD1-CG2 4.36Å; I7-V15 HydrophobicContact CG2-CG2 4.37Å; D11-V15 HydrophobicContact CB-CG2 4.48Å; D11-V15 WeakPolarHBondContact O-CG2 3.43Å; D11-V15 PolarHBondContact O-N 3.25Å; R12-V15 PolarHBondContact O-N 3.38Å; V15-S17 PolarHBondContact O-N 3.22Å; V15-T18 PolarHBondContact O-N 3.02Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.13Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.22Å; V15-L46 HydrophobicContact CB-CD2 4.25Å; V15-L46 HydrophobicContact CG1-CD2 3.82Å; V15-L46 HydrophobicContact CG2-CD2 4.16Å; V15-V49 HydrophobicContact CG2-CB 4.28Å; V15-V49 HydrophobicContact CG2-CG1 3.85Å; V15-V49 HydrophobicContact CG2-CG2 4.17Å
16S93.6Very high91.9Very high44 Ų4460.6 Ų60.631%0.30831%0.312SS..Hα-helixtrans-61.4-44.3178-172.50000112.3R12 T13 S14 T20R12-S16 WeakPolarHBondContact O-CB 3.25Å; R12-S16 PolarHBondContact O-N 3.36Å; T13-S16 PolarHBondContact O-N 2.59Å; S14-S16 VanDerWaalsContact C-N 3.35Å; S14-S16 PolarHBondContact O-N 3.03Å; S16-T20 WeakPolarHBondContact O-CB 3.46Å; S16-T20 PolarHBondContact O-N 3.46Å; S16-T20 PolarHBondContact O-OG1 3.1Å
17S94.9Very high92.2Very high59 Ų5964 Ų6441%0.41333%0.329SS..Hα-helixtrans-63-50.6176.9-166.90000110.9T13 S14 V15 L19 T20 E21T13-S17 WeakPolarHBondContact O-CB 2.67Å; T13-S17 PolarHBondContact O-N 3.09Å; S14-S17 PolarHBondContact O-N 3.47Å; V15-S17 PolarHBondContact O-N 3.22Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.13Å; S17-T20 WeakPolarHBondContact O-CB 3.32Å; S17-T20 PolarHBondContact O-N 3.15Å; S17-T20 VanDerWaalsContact O-N 3.15Å; S17-E21 WeakPolarHBondContact O-CG 3.5Å; S17-E21 PolarHBondContact O-N 3.31Å; S17-E21 PolarHBondContact OG-OE1 2.89Å
18T96.4Very high92.5Very high5 Ų567.8 Ų67.83%0.03135%0.349CS..Hα-helixtrans-60.6-42.3-178.9-54.90000111.7S14 V15 E21 I22 K42 L46S14-T18 WeakPolarHBondContact O-CB 3.49Å; S14-T18 PolarHBondContact O-N 2.75Å; S14-T18 PolarHBondContact O-OG1 3.47Å; V15-T18 PolarHBondContact O-N 3.02Å; T18-E21 PolarHBondContact O-N 3.1Å; T18-I22 HydrophobicContact CG2-CD1 4.21Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 3.15Å; T18-I22 PolarHBondContact O-N 2.92Å; T18-K42 HydrophobicContact CG2-CB 3.64Å; T18-K42 HydrophobicContact CG2-CG 4.11Å; T18-L46 HydrophobicContact CG2-CD1 4.15Å; T18-L46 HydrophobicContact CG2-CD2 4.05Å; T18-L46 HydrophobicContact CG2-CG 3.8Å
19L96.1Very high93.1Very high10 Ų1069.1 Ų69.15%0.05236%0.357CS..Hα-helixtrans-67.3-37.1176.6-71.8177000112.7F3 F4 V15 S17 E21 I22 R23 L46 I82F3-L19 HydrophobicContact CE1-CD1 4.04Å; F4-L19 HydrophobicContact CE1-CD1 3.96Å; F4-L19 HydrophobicContact CZ-CD1 4.09Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.13Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.22Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.13Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.44Å; L19-R23 WeakPolarHBondContact O-CB 3.35Å; L19-R23 PolarHBondContact O-N 2.82Å; L19-L46 HydrophobicContact CD2-CD1 3.53Å; L19-L46 HydrophobicContact CD2-CD2 4.39Å; L19-L46 HydrophobicContact CG-CD1 4.25Å; L19-L46 HydrophobicContact CG-CD2 4.29Å; L19-I82 HydrophobicContact CD2-CD1 4.37Å; L19-I82 HydrophobicContact CD2-CG2 4.2Å
20T95.1Very high93.6Very high71 Ų7161.1 Ų61.144%0.43632%0.321SS..Hα-helixtrans-63-44.4174.7-57.10000110.5S16 S17 R23 N24S16-T20 WeakPolarHBondContact O-CB 3.46Å; S16-T20 PolarHBondContact O-N 3.46Å; S16-T20 PolarHBondContact O-OG1 3.1Å; S17-T20 WeakPolarHBondContact O-CB 3.32Å; S17-T20 PolarHBondContact O-N 3.15Å; S17-T20 VanDerWaalsContact O-N 3.15Å; T20-R23 PolarHBondContact O-N 3.32Å; T20-N24 PolarHBondContact O-N 2.88Å; T20-N24 PolarHBondContact O-ND2 2.64Å; T20-N24 PolarHBondContact O-OD1 2.94Å
21E96.2Very high93.8Very high77 Ų7754.4 Ų54.436%0.3630%0.301SS..Hα-helixtrans-66.4-39.2177.4-74.1178.8-142.600113.6S17 T18 L19 N24 S25 K42S17-E21 WeakPolarHBondContact O-CG 3.5Å; S17-E21 PolarHBondContact O-N 3.31Å; S17-E21 PolarHBondContact OG-OE1 2.89Å; T18-E21 PolarHBondContact O-N 3.1Å; L19-E21 VanDerWaalsContact C-N 3.34Å; E21-N24 PolarHBondContact O-N 3.06Å; E21-S25 PolarHBondContact O-N 3.37Å; E21-S25 PolarHBondContact O-OG 2.81Å; E21-K42 HydrophobicContact CB-CD 4.01Å; E21-K42 WeakPolarHBondContact OE2-CE 3.09Å; E21-K42 IonicContact OE2-NZ 2.71Å; E21-K42 PolarHBondContact OE2-NZ 3.26Å
22I96.7Very high93.7Very high0 Ų058.6 Ų58.60%032%0.324CS..Hα-helixtrans-60.9-49.9171.9-72.6172.6000108.9T18 L19 N24 S25 L26 F39 K42 L46 I82 L85T18-I22 HydrophobicContact CG2-CD1 4.21Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 3.15Å; T18-I22 PolarHBondContact O-N 2.92Å; L19-I22 PolarHBondContact O-N 3.44Å; I22-N24 VanDerWaalsContact C-N 3.27Å; I22-N24 PolarHBondContact O-N 3.04Å; I22-S25 WeakPolarHBondContact O-CA 3.32Å; I22-S25 WeakPolarHBondContact O-CB 3.35Å; I22-S25 PolarHBondContact O-N 3.39Å; I22-L26 HydrophobicContact CG2-CD1 4.29Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.11Å; I22-F39 HydrophobicContact CG2-CE2 3.78Å; I22-F39 HydrophobicContact CG2-CZ 4.4Å; I22-K42 HydrophobicContact CD1-CB 4.01Å; I22-K42 HydrophobicContact CG1-CB 3.89Å; I22-K42 HydrophobicContact CG1-CD 4.17Å; I22-L46 HydrophobicContact CD1-CD1 3.5Å; I22-L46 VanDerWaalsContact CD1-CD1 3.5Å; I22-I82 HydrophobicContact CB-CD1 4.05Å; I22-I82 HydrophobicContact CG2-CD1 3.5Å; I22-I82 VanDerWaalsContact CG2-CD1 3.5Å; I22-L85 HydrophobicContact CD1-CD1 4.41Å; I22-L85 HydrophobicContact CG2-CD1 4.33Å
23R95.2Very high93.4Very high122 Ų12261.2 Ų61.246%0.4635%0.348SS..Hα-helixtrans-55.7-42.1179.9-176.6-175.2177-169.3-0.3112.2L19 T20 S25 L26 I82L19-R23 WeakPolarHBondContact O-CB 3.35Å; L19-R23 PolarHBondContact O-N 2.82Å; T20-R23 PolarHBondContact O-N 3.32Å; R23-S25 PolarHBondContact O-N 2.98Å; R23-L26 PolarHBondContact O-N 2.85Å; R23-I82 HydrophobicContact CB-CD1 4.15Å; R23-I82 HydrophobicContact CB-CG1 4.23Å
24N94.5Very high93.4Very high128 Ų12857.8 Ų57.868%0.68433%0.326SS*.THydrogen-bonded Turntrans-68.9-11.6178.5-66.8-13.2000113.7T20 E21 I22T20-N24 PolarHBondContact O-N 2.88Å; T20-N24 PolarHBondContact O-ND2 2.64Å; T20-N24 PolarHBondContact O-OD1 2.94Å; E21-N24 PolarHBondContact O-N 3.06Å; I22-N24 VanDerWaalsContact C-N 3.27Å; I22-N24 PolarHBondContact O-N 3.04Å
25S93.7Very high93.3Very high43 Ų4359.4 Ų59.430%0.30134%0.335SS..THydrogen-bonded Turntrans-99.2-0.2177.3-48.80000112.9E21 I22 R23 I220E21-S25 PolarHBondContact O-N 3.37Å; E21-S25 PolarHBondContact O-OG 2.81Å; I22-S25 WeakPolarHBondContact O-CA 3.32Å; I22-S25 WeakPolarHBondContact O-CB 3.35Å; I22-S25 PolarHBondContact O-N 3.39Å; R23-S25 PolarHBondContact O-N 2.98Å; S25-I220 WeakPolarHBondContact O-CG2 3.04Å
26L95.3Very high93.3Very high11 Ų1159.8 Ų59.86%0.05834%0.337CS..  trans-101.6130.7-174.8-68.2174.4000111I22 R23 F39 P78 C81 I82 L137 A219 I220I22-L26 HydrophobicContact CG2-CD1 4.29Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.11Å; R23-L26 PolarHBondContact O-N 2.85Å; L26-F39 HydrophobicContact CD2-CE2 4.31Å; L26-P78 HydrophobicContact CB-CB 4.16Å; L26-P78 HydrophobicContact CB-CG 4.49Å; L26-P78 HydrophobicContact CD1-CB 4.43Å; L26-C81 HydrophobicContact CD1-CB 3.98Å; L26-I82 HydrophobicContact CD1-CD1 4.05Å; L26-I82 HydrophobicContact CD1-CG1 4.08Å; L26-L137 HydrophobicContact CB-CD1 3.95Å; L26-L137 HydrophobicContact CD2-CD1 4.35Å; L26-L137 HydrophobicContact CD2-CD2 4.05Å; L26-A219 HydrophobicContact CD2-CB 4.18Å; L26-I220 HydrophobicContact CD2-CG2 3.75Å
27D92.9Very high93.2Very high99 Ų9960.9 Ų60.953%0.52935%0.349SS..  trans-119.6145.6172.6-66.5-55.7000109.6V29 L137D27-V29 WeakPolarHBondContact CB-O 3.3Å; D27-V29 PolarHBondContact O-N 3.4Å; D27-V29 VanDerWaalsContact O-N 3.16Å; D27-L137 WeakPolarHBondContact O-CD1 3.5Å; D27-L137 WeakPolarHBondContact O-CG 3.19Å
28D92.3Very high93.1Very high84 Ų8461.6 Ų61.645%0.44935%0.352SS..SBendtrans-52.6-40.3179.8-81.5-35.3000112.7N77 P78 S136 L137D28-N77 VanDerWaalsContact OD1-CB 3.25Å; D28-N77 WeakPolarHBondContact OD1-CB 3.49Å; D28-N77 PolarHBondContact OD1-ND2 3Å; D28-P78 VanDerWaalsContact OD1-CD 3.23Å; D28-P78 WeakPolarHBondContact OD1-CD 3.42Å; D28-S136 WeakPolarHBondContact O-CA 3.29Å; D28-L137 PolarHBondContact O-N 3.48Å
29V94.1Very high93.1Very high62 Ų6261.5 Ų61.538%0.37635%0.351SS..BIsolated β-bridgetrans-99.2124.8173.3176.90000108.8D27 P31 L134D27-V29 WeakPolarHBondContact CB-O 3.3Å; D27-V29 PolarHBondContact O-N 3.4Å; D27-V29 VanDerWaalsContact O-N 3.16Å; V29-P31 WeakPolarHBondContact O-CD 3.48Å; V29-L134 HydrophobicContact CG1-CB 3.58Å; V29-L134 HydrophobicContact CG1-CD1 3.75Å; V29-L134 HydrophobicContact CG1-CG 4.29Å
30I94.3Very high92.9Very high3 Ų361.6 Ų61.62%0.01535%0.351CS..PPolyproline II helixtrans-78.1120.9-177-57.4163.8000108.4P135 S136 L137 W140 P186 S218I30-P135 HydrophobicContact CB-CB 4.18Å; I30-P135 HydrophobicContact CD1-CB 4.24Å; I30-P135 PolarHBondContact N-O 3.4Å; I30-S136 WeakPolarHBondContact CD1-O 3.41Å; I30-L137 HydrophobicContact CD1-CD2 4.41Å; I30-L137 HydrophobicContact CG1-CD2 4.14Å; I30-L137 HydrophobicContact CG1-CG 4.41Å; I30-W140 HydrophobicContact CD1-CB 4.06Å; I30-P186 HydrophobicContact CD1-CG 3.79Å; I30-S218 WeakPolarHBondContact CD1-O 3.49Å
31P91.9Very high92.8Very high42 Ų4261.1 Ų61.127%0.27335%0.351SS..PPolyproline II helixtrans-70.6156.9-178.529.5-35.9000111.9V29 T33 N34 I220 S221 S222V29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-T33 VanDerWaalsContact C-N 3.35Å; P31-T33 PolarHBondContact O-N 2.97Å; P31-N34 HydrophobicContact CG-CB 4Å; P31-I220 WeakPolarHBondContact CD-O 3.41Å; P31-I220 WeakPolarHBondContact CG-O 3.07Å; P31-S221 CarbonylContact O-C 3.53Å; P31-S221 WeakPolarHBondContact O-CA 3.21Å; P31-S222 PolarHBondContact O-N 2.96Å
32N87.2Confident92.8Very high110 Ų11059.1 Ų59.159%0.58834%0.341SS*.SBendtrans-68.8-33.5-179.9-75-31.9000113.3S222N32-S222 PolarHBondContact O-OG 3.03Å
33T84.7Confident92.6Very high131 Ų13159.4 Ų59.480%0.80434%0.342SS*.  trans-141.399.2-173.152.50000110P31P31-T33 VanDerWaalsContact C-N 3.35Å; P31-T33 PolarHBondContact O-N 2.97Å
34N90Very high92.4Very high50 Ų5057.8 Ų57.827%0.26734%0.336SS..  trans-127.9139171.9-158.2-5.5000109P31 I36 I220 S221P31-N34 HydrophobicContact CG-CB 4Å; N34-I36 WeakPolarHBondContact O-CG2 3.34Å; N34-I36 PolarHBondContact O-N 2.74Å; N34-I36 VanDerWaalsContact O-N 3.1Å; N34-I220 WeakPolarHBondContact CB-O 3.46Å; N34-I220 PolarHBondContact ND2-O 3.35Å; N34-I220 VanDerWaalsContact ND2-O 3.15Å; N34-S221 PolarHBondContact N-OG 3.06Å; N34-S221 PolarHBondContact O-OG 3.3Å
35P90.6Very high92.3Very high96 Ų9655.9 Ų55.962%0.62332%0.323SS*.  trans-57.2112.5172.921.1-36.8000112.7
36I93Very high92.2Very high8 Ų853.9 Ų53.94%0.04131%0.309CS..  trans-86.9-21.2-176.467.1170.4000115N34 F39 I40 I220 N223 I226N34-I36 WeakPolarHBondContact O-CG2 3.34Å; N34-I36 PolarHBondContact O-N 2.74Å; N34-I36 VanDerWaalsContact O-N 3.1Å; I36-F39 WeakPolarHBondContact O-CB 3.36Å; I36-F39 PolarHBondContact O-N 2.97Å; I36-I40 HydrophobicContact CB-CD1 4.07Å; I36-I40 HydrophobicContact CD1-CD1 3.65Å; I36-I40 HydrophobicContact CG1-CD1 3.8Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.22Å; I36-I220 HydrophobicContact CG2-CD1 4.29Å; I36-I220 HydrophobicContact CG2-CG1 4.42Å; I36-N223 WeakPolarHBondContact CG2-OD1 3.39Å; I36-I226 HydrophobicContact CD1-CD1 3.72Å
37A91.8Very high92Very high68 Ų6855 Ų5556%0.56231%0.314SS*.Hα-helixtrans-61.2-43.6-17400000113.4F39 I40 S41A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 2.94Å; A37-I40 PolarHBondContact O-N 3.22Å; A37-S41 PolarHBondContact O-N 3.46Å
38P93.5Very high91.6Very high73 Ų7354.9 Ų54.947%0.47431%0.313SS..Hα-helixtrans-62.2-38.8175.1-22.834.7000112.7S41 K42P38-S41 PolarHBondContact O-N 2.68Å; P38-K42 WeakPolarHBondContact O-CG 3.5Å; P38-K42 PolarHBondContact O-N 3.2Å
39F95.2Very high91.4Very high4 Ų451.6 Ų51.62%0.01830%0.296CS..Hα-helixtrans-66.7-47.8178.4-178.9-88.7000111.9I22 L26 I36 A37 S41 K42 V43 L85 F216 A219 I220I22-F39 HydrophobicContact CG2-CE2 3.78Å; I22-F39 HydrophobicContact CG2-CZ 4.4Å; L26-F39 HydrophobicContact CD2-CE2 4.31Å; I36-F39 WeakPolarHBondContact O-CB 3.36Å; I36-F39 PolarHBondContact O-N 2.97Å; A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 2.94Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.07Å; F39-K42 WeakPolarHBondContact O-CB 3.45Å; F39-K42 PolarHBondContact O-N 2.97Å; F39-K42 VanDerWaalsContact O-N 3.08Å; F39-V43 HydrophobicContact CD1-CG2 3.78Å; F39-V43 HydrophobicContact CE1-CG2 3.48Å; F39-V43 VanDerWaalsContact CE1-CG2 3.48Å; F39-V43 HydrophobicContact CZ-CG2 4.09Å; F39-V43 WeakPolarHBondContact O-CG2 3.41Å; F39-V43 PolarHBondContact O-N 3.08Å; F39-L85 HydrophobicContact CZ-CD1 4.25Å; F39-F216 HydrophobicContact CE1-CB 4.46Å; F39-F216 WeakPolarHBondContact CE1-O 3.43Å; F39-A219 HydrophobicContact CZ-CB 4.18Å; F39-I220 HydrophobicContact CB-CD1 3.36Å; F39-I220 HydrophobicContact CB-CG1 4.24Å; F39-I220 HydrophobicContact CD1-CD1 4.27Å; F39-I220 HydrophobicContact CD1-CG1 4.25Å; F39-I220 HydrophobicContact CD2-CB 4.49Å; F39-I220 HydrophobicContact CD2-CD1 3.89Å; F39-I220 HydrophobicContact CD2-CG1 4.11Å; F39-I220 HydrophobicContact CD2-CG2 3.62Å; F39-I220 HydrophobicContact CE2-CG2 3.51Å; F39-I220 HydrophobicContact CG-CD1 3.6Å; F39-I220 HydrophobicContact CG-CG1 3.96Å; F39-I220 HydrophobicContact CG-CG2 4.33Å; F39-I220 HydrophobicContact CZ-CG2 4.17Å
40I92.8Very high91.1Very high12 Ų1248.7 Ų48.76%0.06228%0.278CS..Hα-helixtrans-58.7-41.5177.2-70.7163.7000110.8I36 A37 K42 V43 R44 D213I36-I40 HydrophobicContact CB-CD1 4.07Å; I36-I40 HydrophobicContact CD1-CD1 3.65Å; I36-I40 HydrophobicContact CG1-CD1 3.8Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.22Å; A37-I40 PolarHBondContact O-N 3.22Å; I40-K42 VanDerWaalsContact C-N 3.29Å; I40-K42 PolarHBondContact O-N 3.15Å; I40-V43 PolarHBondContact O-N 3.01Å; I40-R44 HydrophobicContact CG2-CG 4.29Å; I40-R44 WeakPolarHBondContact O-CG 3.25Å; I40-R44 PolarHBondContact O-N 3.19Å; I40-D213 HydrophobicContact CD1-CB 3.97Å; I40-D213 HydrophobicContact CG1-CB 4.31Å; I40-D213 HydrophobicContact CG2-CB 4.26Å; I40-D213 VanDerWaalsContact CG2-OD1 3.23Å; I40-D213 WeakPolarHBondContact CG2-OD1 3.4Å
41S93.3Very high90.5Very high60 Ų6050.9 Ų50.942%0.4229%0.289SS..Hα-helixtrans-56.4-43.9175.7-174.90000112A37 P38 F39 R44 Q45A37-S41 PolarHBondContact O-N 3.46Å; P38-S41 PolarHBondContact O-N 2.68Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 3.07Å; S41-R44 PolarHBondContact O-N 3.41Å; S41-Q45 WeakPolarHBondContact O-CG 3.21Å; S41-Q45 PolarHBondContact O-N 3Å
42K95Very high90Very high36 Ų3656.3 Ų56.316%0.15730%0.304CS..Hα-helixtrans-66.8-42176.8-66.8176.9-158.5-166.50112.4T18 E21 I22 P38 F39 I40 R44 Q45 L46T18-K42 HydrophobicContact CG2-CB 3.64Å; T18-K42 HydrophobicContact CG2-CG 4.11Å; E21-K42 HydrophobicContact CB-CD 4.01Å; E21-K42 WeakPolarHBondContact OE2-CE 3.09Å; E21-K42 IonicContact OE2-NZ 2.71Å; E21-K42 PolarHBondContact OE2-NZ 3.26Å; I22-K42 HydrophobicContact CD1-CB 4.01Å; I22-K42 HydrophobicContact CG1-CB 3.89Å; I22-K42 HydrophobicContact CG1-CD 4.17Å; P38-K42 WeakPolarHBondContact O-CG 3.5Å; P38-K42 PolarHBondContact O-N 3.2Å; F39-K42 WeakPolarHBondContact O-CB 3.45Å; F39-K42 PolarHBondContact O-N 2.97Å; F39-K42 VanDerWaalsContact O-N 3.08Å; I40-K42 VanDerWaalsContact C-N 3.29Å; I40-K42 PolarHBondContact O-N 3.15Å; K42-R44 VanDerWaalsContact C-N 3.33Å; K42-R44 PolarHBondContact O-N 3.08Å; K42-Q45 WeakPolarHBondContact O-CB 3.25Å; K42-Q45 PolarHBondContact O-N 2.57Å; K42-L46 PolarHBondContact O-N 3.01Å; K42-L46 VanDerWaalsContact O-N 3.08Å
43V93.7Very high89.8Confident5 Ų551.5 Ų51.53%0.0328%0.278CS..Hα-helixtrans-59.6-45.4174.9175.60000110.5F39 I40 Q45 L46 Q47 L85 L89 F216F39-V43 HydrophobicContact CD1-CG2 3.78Å; F39-V43 HydrophobicContact CE1-CG2 3.48Å; F39-V43 VanDerWaalsContact CE1-CG2 3.48Å; F39-V43 HydrophobicContact CZ-CG2 4.09Å; F39-V43 WeakPolarHBondContact O-CG2 3.41Å; F39-V43 PolarHBondContact O-N 3.08Å; I40-V43 PolarHBondContact O-N 3.01Å; V43-Q45 PolarHBondContact O-N 2.73Å; V43-L46 PolarHBondContact O-N 3.4Å; V43-Q47 WeakPolarHBondContact O-CB 3.31Å; V43-Q47 PolarHBondContact O-N 3.03Å; V43-L85 HydrophobicContact CG2-CD1 4.22Å; V43-L89 HydrophobicContact CG1-CD1 4.5Å; V43-L89 HydrophobicContact CG1-CD2 4.18Å; V43-F216 HydrophobicContact CG1-CB 4.22Å; V43-F216 HydrophobicContact CG1-CD1 4.31Å; V43-F216 HydrophobicContact CG1-CD2 3.98Å; V43-F216 HydrophobicContact CG1-CE2 4.46Å; V43-F216 HydrophobicContact CG1-CG 3.92Å; V43-F216 HydrophobicContact CG2-CB 4.42Å
44R90.6Very high89.7Confident89 Ų8948.7 Ų48.734%0.33626%0.262SS..Hα-helixtrans-64-38177.4-71.1177-178.5-171.6-3.5112.5I40 S41 K42 Q47 L48 D213I40-R44 HydrophobicContact CG2-CG 4.29Å; I40-R44 WeakPolarHBondContact O-CG 3.25Å; I40-R44 PolarHBondContact O-N 3.19Å; S41-R44 PolarHBondContact O-N 3.41Å; K42-R44 VanDerWaalsContact C-N 3.33Å; K42-R44 PolarHBondContact O-N 3.08Å; R44-Q47 WeakPolarHBondContact O-CB 3.06Å; R44-Q47 PolarHBondContact O-N 3.15Å; R44-L48 WeakPolarHBondContact O-CG 3.22Å; R44-L48 PolarHBondContact O-N 2.7Å; R44-D213 IonicContact CZ-OD1 3.79Å; R44-D213 IonicContact CZ-OD2 3.96Å; R44-D213 IonicContact NE-OD1 2.71Å; R44-D213 PolarHBondContact NE-OD1 3.1Å; R44-D213 VanDerWaalsContact NE-OD1 3.16Å; R44-D213 VanDerWaalsContact NH2-CG 3.34Å; R44-D213 IonicContact NH2-OD1 3.86Å; R44-D213 PolarHBondContact NH2-OD1 2.91Å; R44-D213 IonicContact NH2-OD2 2.86Å; R44-D213 PolarHBondContact NH2-OD2 3.41Å
45Q91.4Very high89.2Confident87 Ų8747.7 Ų47.741%0.40726%0.257SS..Hα-helixtrans-59.4-46.7173-72.8172.612.500111.5S41 K42 V43 L48 V49S41-Q45 WeakPolarHBondContact O-CG 3.21Å; S41-Q45 PolarHBondContact O-N 3Å; K42-Q45 WeakPolarHBondContact O-CB 3.25Å; K42-Q45 PolarHBondContact O-N 2.57Å; V43-Q45 PolarHBondContact O-N 2.73Å; Q45-L48 PolarHBondContact O-N 2.6Å; Q45-V49 PolarHBondContact O-N 3.1Å
46L92.8Very high88.8Confident1 Ų148.3 Ų48.31%0.00526%0.258CS..Hα-helixtrans-63.1-44.7175.4-67175.1000111.4V15 T18 L19 I22 K42 V43 L48 V49 F50 L85 L89V15-L46 HydrophobicContact CB-CD2 4.25Å; V15-L46 HydrophobicContact CG1-CD2 3.82Å; V15-L46 HydrophobicContact CG2-CD2 4.16Å; T18-L46 HydrophobicContact CG2-CD1 4.15Å; T18-L46 HydrophobicContact CG2-CD2 4.05Å; T18-L46 HydrophobicContact CG2-CG 3.8Å; L19-L46 HydrophobicContact CD2-CD1 3.53Å; L19-L46 HydrophobicContact CD2-CD2 4.39Å; L19-L46 HydrophobicContact CG-CD1 4.25Å; L19-L46 HydrophobicContact CG-CD2 4.29Å; I22-L46 HydrophobicContact CD1-CD1 3.5Å; I22-L46 VanDerWaalsContact CD1-CD1 3.5Å; K42-L46 PolarHBondContact O-N 3.01Å; K42-L46 VanDerWaalsContact O-N 3.08Å; V43-L46 PolarHBondContact O-N 3.4Å; L46-L48 VanDerWaalsContact C-N 3.28Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-V49 WeakPolarHBondContact O-CB 3.08Å; L46-V49 PolarHBondContact O-N 2.88Å; L46-F50 HydrophobicContact CB-CD2 4.49Å; L46-F50 HydrophobicContact CB-CE2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 3.5Å; L46-L85 HydrophobicContact CD1-CD2 3.85Å; L46-L89 HydrophobicContact CB-CD1 3.67Å; L46-L89 HydrophobicContact CD1-CD1 4.49Å
47Q90.2Very high88.4Confident35 Ų3550.5 Ų50.516%0.16427%0.27CS..Hα-helixtrans-53.8-44.6178.2-172.4-177.916.500111.8V43 R44 V49 F50 M51 L89V43-Q47 WeakPolarHBondContact O-CB 3.31Å; V43-Q47 PolarHBondContact O-N 3.03Å; R44-Q47 WeakPolarHBondContact O-CB 3.06Å; R44-Q47 PolarHBondContact O-N 3.15Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.46Å; Q47-F50 PolarHBondContact O-N 2.86Å; Q47-M51 HydrophobicContact CG-CE 3.52Å; Q47-M51 HydrophobicContact CG-CG 4.42Å; Q47-M51 HydrophobicContact CG-SD 4.05Å; Q47-M51 WeakPolarHBondContact O-CB 3.42Å; Q47-M51 WeakPolarHBondContact O-CG 3.11Å; Q47-M51 PolarHBondContact O-N 3.06Å; Q47-L89 HydrophobicContact CB-CD2 4Å; Q47-L89 HydrophobicContact CG-CD2 4.2Å
48L86Confident88.2Confident97 Ų9747.4 Ų47.451%0.50824%0.243SC..Hα-helixtrans-61.7-33.8177.3-71.8172.1000113.3R44 Q45 L46 R52R44-L48 WeakPolarHBondContact O-CG 3.22Å; R44-L48 PolarHBondContact O-N 2.7Å; Q45-L48 PolarHBondContact O-N 2.6Å; L46-L48 VanDerWaalsContact C-N 3.28Å; L46-L48 PolarHBondContact O-N 3.34Å; L48-R52 WeakPolarHBondContact O-CD 3.49Å; L48-R52 WeakPolarHBondContact O-CG 3.42Å
49V87.3Confident87.9Confident14 Ų1448.4 Ų48.49%0.08524%0.24CC..Hα-helixtrans-72.1-50.6174.8177.20000110D11 V15 Q45 L46 Q47 M51 R52D11-V49 HydrophobicContact CB-CG1 3.81Å; D11-V49 HydrophobicContact CB-CG2 4.36Å; V15-V49 HydrophobicContact CG2-CB 4.28Å; V15-V49 HydrophobicContact CG2-CG1 3.85Å; V15-V49 HydrophobicContact CG2-CG2 4.17Å; Q45-V49 PolarHBondContact O-N 3.1Å; L46-V49 WeakPolarHBondContact O-CB 3.08Å; L46-V49 PolarHBondContact O-N 2.88Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.46Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 3.32Å; V49-R52 PolarHBondContact O-N 3.14Å
50F88.1Confident87.6Confident2 Ų253 Ų531%0.00926%0.262CS..Hα-helixtrans-62.7-36.5-175.5-81.2-119.3000112.3F3 L46 Q47 R52 I53 C86 L89 L90F3-F50 HydrophobicContact CZ-CZ 4.02Å; L46-F50 HydrophobicContact CB-CD2 4.49Å; L46-F50 HydrophobicContact CB-CE2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 3.5Å; Q47-F50 PolarHBondContact O-N 2.86Å; F50-R52 PolarHBondContact O-N 3.48Å; F50-R52 VanDerWaalsContact O-N 3.12Å; F50-I53 HydrophobicContact CB-CD1 4.49Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 HydrophobicContact CG-CD1 4.25Å; F50-I53 WeakPolarHBondContact O-CB 3.33Å; F50-I53 PolarHBondContact O-N 3.19Å; F50-I53 VanDerWaalsContact O-N 3.14Å; F50-C86 HydrophobicContact CE1-CB 4Å; F50-C86 WeakPolarHBondContact CE1-O 3.35Å; F50-C86 HydrophobicContact CZ-CB 3.9Å; F50-L89 HydrophobicContact CB-CB 4.47Å; F50-L89 HydrophobicContact CD1-CB 4.11Å; F50-L89 HydrophobicContact CG-CB 4.28Å; F50-L90 HydrophobicContact CD1-CB 3.85Å; F50-L90 HydrophobicContact CD1-CD1 3.71Å; F50-L90 HydrophobicContact CD1-CG 4.42Å; F50-L90 HydrophobicContact CE1-CB 4.24Å; F50-L90 HydrophobicContact CE1-CD1 4.28Å
51M82.4Confident87.6Confident48 Ų4852.4 Ų52.424%0.23626%0.259CS..THydrogen-bonded Turntrans-60.4-19.3174.1-76.4175.2171.800114.6Q47 V49 R96 F245Q47-M51 HydrophobicContact CG-CE 3.52Å; Q47-M51 HydrophobicContact CG-CG 4.42Å; Q47-M51 HydrophobicContact CG-SD 4.05Å; Q47-M51 WeakPolarHBondContact O-CB 3.42Å; Q47-M51 WeakPolarHBondContact O-CG 3.11Å; Q47-M51 PolarHBondContact O-N 3.06Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 3.32Å; M51-R96 PolarHBondContact SD-NH1 3.05Å; M51-F245 HydrophobicContact CE-CD1 4.2Å
52R81Confident87.6Confident156 Ų15649.9 Ų49.959%0.58924%0.24SC*.THydrogen-bonded Turntrans-99.1-4-178.8-63.8171.9-178.8171.80.9112.8L48 V49 F50 P54L48-R52 WeakPolarHBondContact O-CD 3.49Å; L48-R52 WeakPolarHBondContact O-CG 3.42Å; V49-R52 PolarHBondContact O-N 3.14Å; F50-R52 PolarHBondContact O-N 3.48Å; F50-R52 VanDerWaalsContact O-N 3.12Å; R52-P54 VanDerWaalsContact O-CD 3.31Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å
53I83.4Confident87.4Confident9 Ų954 Ų545%0.04626%0.259CS..  trans-74.1119.9-176-59.8-178.8000108.8F50 L57 R58 I61 L90F50-I53 HydrophobicContact CB-CD1 4.49Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 HydrophobicContact CG-CD1 4.25Å; F50-I53 WeakPolarHBondContact O-CB 3.33Å; F50-I53 PolarHBondContact O-N 3.19Å; F50-I53 VanDerWaalsContact O-N 3.14Å; I53-L57 HydrophobicContact CG2-CB 3.76Å; I53-R58 HydrophobicContact CB-CG 3.93Å; I53-R58 HydrophobicContact CG2-CG 3.54Å; I53-I61 HydrophobicContact CD1-CD1 3.8Å; I53-I61 HydrophobicContact CG2-CD1 3.69Å; I53-L90 HydrophobicContact CD1-CD1 4.26Å
54P80.9Confident87.4Confident73 Ų7355.5 Ų55.547%0.47427%0.266SS..  trans-59.5148177-22.432.8000112.2R52 V56 L57 R58R52-P54 VanDerWaalsContact O-CD 3.31Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-V56 VanDerWaalsContact C-N 3.25Å; P54-V56 PolarHBondContact O-N 3.39Å; P54-V56 VanDerWaalsContact O-N 3.1Å; P54-L57 PolarHBondContact O-N 2.83Å; P54-R58 PolarHBondContact O-N 3.39Å; P54-R58 VanDerWaalsContact O-N 3.08Å
55M79.5Confident87.6Confident29 Ų2951.3 Ų51.314%0.14325%0.25CS..Hα-helixtrans-47.9-44.3-178.1-174.6-176.4-170.900114L57 R58 K59 L103 D107M55-L57 VanDerWaalsContact C-N 3.31Å; M55-L57 PolarHBondContact O-N 3.24Å; M55-R58 PolarHBondContact O-N 3.02Å; M55-K59 PolarHBondContact O-N 3.04Å; M55-L103 VanDerWaalsContact CE-C 3.42Å; M55-L103 HydrophobicContact CE-CB 3.52Å; M55-L103 WeakPolarHBondContact CE-O 3.16Å; M55-L103 HydrophobicContact SD-CB 3.78Å; M55-L103 HydrophobicContact SD-CD1 4.17Å; M55-D107 HydrophobicContact CE-CB 4.5Å
56V82Confident87.7Confident108 Ų10848 Ų4866%0.65524%0.235SC*.Hα-helixtrans-58.7-42-179.2-1790000111.9P54P54-V56 VanDerWaalsContact C-N 3.25Å; P54-V56 PolarHBondContact O-N 3.39Å; P54-V56 VanDerWaalsContact O-N 3.1Å
57L86.4Confident87.7Confident54 Ų5452.6 Ų52.628%0.28326%0.257SS..Hα-helixtrans-75.1-33.4178.3-69.1-179.4000111.9I53 P54 M55 K59 Q60 I61I53-L57 HydrophobicContact CG2-CB 3.76Å; P54-L57 PolarHBondContact O-N 2.83Å; M55-L57 VanDerWaalsContact C-N 3.31Å; M55-L57 PolarHBondContact O-N 3.24Å; L57-K59 VanDerWaalsContact C-N 3.31Å; L57-K59 PolarHBondContact O-N 3.39Å; L57-Q60 PolarHBondContact O-N 3.44Å; L57-I61 HydrophobicContact CB-CD1 4.44Å; L57-I61 WeakPolarHBondContact O-CB 3.33Å; L57-I61 WeakPolarHBondContact O-CD1 3.37Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.41Å
58R87Confident87.9Confident3 Ų351.4 Ų51.41%0.01125%0.254CS..Hα-helixtrans-59.6-41177.1-64.2-169.9-58.9-171.7-4.3111.9I53 P54 M55 Q60 I61 K62 L90 V94 N97 E104I53-R58 HydrophobicContact CB-CG 3.93Å; I53-R58 HydrophobicContact CG2-CG 3.54Å; P54-R58 PolarHBondContact O-N 3.39Å; P54-R58 VanDerWaalsContact O-N 3.08Å; M55-R58 PolarHBondContact O-N 3.02Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.39Å; R58-I61 PolarHBondContact O-N 2.95Å; R58-K62 VanDerWaalsContact O-CB 3.24Å; R58-K62 WeakPolarHBondContact O-CB 3.23Å; R58-K62 PolarHBondContact O-N 3.28Å; R58-L90 HydrophobicContact CB-CD1 4.15Å; R58-L90 HydrophobicContact CB-CD2 4.33Å; R58-L90 HydrophobicContact CB-CG 4.35Å; R58-L90 HydrophobicContact CG-CD1 3.72Å; R58-L90 HydrophobicContact CG-CG 4.32Å; R58-V94 VanDerWaalsContact NH1-CG2 3.28Å; R58-N97 PolarHBondContact NH1-ND2 3.22Å; R58-N97 VanDerWaalsContact NH1-ND2 3.15Å; R58-E104 IonicContact CZ-OE1 3.65Å; R58-E104 VanDerWaalsContact CZ-OE1 3.23Å; R58-E104 IonicContact CZ-OE2 3.16Å; R58-E104 IonicContact NH1-OE1 3.3Å; R58-E104 PolarHBondContact NH1-OE1 3.21Å; R58-E104 IonicContact NH1-OE2 3.72Å; R58-E104 IonicContact NH2-OE1 2.68Å; R58-E104 PolarHBondContact NH2-OE1 3.17Å; R58-E104 IonicContact NH2-OE2 3.04Å; R58-E104 PolarHBondContact NH2-OE2 3.27Å
59K86.8Confident88.3Confident95 Ų9546.9 Ų46.941%0.41323%0.23SC..Hα-helixtrans-57.9-45.5176.5-64.1-163.3174.2-171.80112.2M55 L57 K62 F63 D107M55-K59 PolarHBondContact O-N 3.04Å; L57-K59 VanDerWaalsContact C-N 3.31Å; L57-K59 PolarHBondContact O-N 3.39Å; K59-K62 PolarHBondContact O-N 3.42Å; K59-F63 PolarHBondContact O-N 2.86Å; K59-D107 WeakPolarHBondContact CE-OD1 3.41Å; K59-D107 WeakPolarHBondContact CG-OD1 3.41Å
60Q89.7Confident88.5Confident100 Ų10049.4 Ų49.447%0.46724%0.241SC..Hα-helixtrans-65.8-44.9177.5-65.3179.5-500111.9L57 R58 K62 F63 L64L57-Q60 PolarHBondContact O-N 3.44Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.39Å; Q60-K62 VanDerWaalsContact C-N 3.31Å; Q60-K62 PolarHBondContact O-N 3.07Å; Q60-F63 PolarHBondContact O-N 3.35Å; Q60-L64 PolarHBondContact O-N 3.16Å
61I92.2Very high88.7Confident0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-60.4-44.3177-72162.4000110.7F3 V6 I53 L57 R58 F63 L64 L65 L90F3-I61 HydrophobicContact CD2-CG2 4.04Å; F3-I61 HydrophobicContact CE2-CG2 3.6Å; V6-I61 HydrophobicContact CB-CG1 3.95Å; V6-I61 HydrophobicContact CG2-CB 4.4Å; V6-I61 HydrophobicContact CG2-CD1 4.33Å; V6-I61 HydrophobicContact CG2-CG1 3.35Å; I53-I61 HydrophobicContact CD1-CD1 3.8Å; I53-I61 HydrophobicContact CG2-CD1 3.69Å; L57-I61 HydrophobicContact CB-CD1 4.44Å; L57-I61 WeakPolarHBondContact O-CB 3.33Å; L57-I61 WeakPolarHBondContact O-CD1 3.37Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.41Å; R58-I61 PolarHBondContact O-N 2.95Å; I61-F63 PolarHBondContact O-N 3Å; I61-L64 PolarHBondContact O-N 3.28Å; I61-L65 HydrophobicContact CG2-CD1 3.69Å; I61-L65 HydrophobicContact CG2-CG 4.04Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 3.19Å; I61-L90 HydrophobicContact CB-CD2 4.33Å; I61-L90 HydrophobicContact CG2-CD1 4.47Å; I61-L90 HydrophobicContact CG2-CD2 3.91Å
62K92.6Very high89.2Confident7 Ų749.8 Ų49.83%0.0325%0.252CS..Hα-helixtrans-60.6-45-177.9-165.8-174.8-47.5-160.60112R58 K59 Q60 L64 L65 L66 L87 L90 E91 D107 T111R58-K62 VanDerWaalsContact O-CB 3.24Å; R58-K62 WeakPolarHBondContact O-CB 3.23Å; R58-K62 PolarHBondContact O-N 3.28Å; K59-K62 PolarHBondContact O-N 3.42Å; Q60-K62 VanDerWaalsContact C-N 3.31Å; Q60-K62 PolarHBondContact O-N 3.07Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-L64 PolarHBondContact O-N 3.11Å; K62-L65 PolarHBondContact O-N 3.46Å; K62-L65 VanDerWaalsContact O-N 3.16Å; K62-L66 HydrophobicContact CG-CD1 4.35Å; K62-L66 WeakPolarHBondContact O-CG 3.25Å; K62-L66 PolarHBondContact O-N 2.73Å; K62-L87 HydrophobicContact CD-CD1 4.47Å; K62-L87 HydrophobicContact CG-CD1 3.71Å; K62-L90 HydrophobicContact CB-CD2 4.08Å; K62-E91 VanDerWaalsContact CD-OE1 3.27Å; K62-E91 WeakPolarHBondContact CD-OE1 3.45Å; K62-E91 WeakPolarHBondContact CE-OE1 3.35Å; K62-E91 IonicContact NZ-OE1 2.91Å; K62-E91 PolarHBondContact NZ-OE1 3.22Å; K62-E91 IonicContact NZ-OE2 2.67Å; K62-D107 VanDerWaalsContact CE-OD2 3.27Å; K62-D107 WeakPolarHBondContact CE-OD2 3.32Å; K62-D107 VanDerWaalsContact NZ-CG 3.3Å; K62-D107 IonicContact NZ-OD1 3.23Å; K62-D107 IonicContact NZ-OD2 2.59Å; K62-D107 PolarHBondContact NZ-OD2 3.25Å; K62-T111 HydrophobicContact CD-CG2 3.62Å; K62-T111 WeakPolarHBondContact CD-OG1 3.18Å; K62-T111 HydrophobicContact CG-CG2 4.32Å; K62-T111 PolarHBondContact NZ-OG1 3.48Å
63F91.5Very high89.6Confident123 Ų12342.7 Ų42.754%0.53923%0.226SC..Hα-helixtrans-54.2-50.5174.2179.6-96.8000111.3K59 Q60 I61 L65 L66 E67K59-F63 PolarHBondContact O-N 2.86Å; Q60-F63 PolarHBondContact O-N 3.35Å; I61-F63 PolarHBondContact O-N 3Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 3.05Å; F63-L66 PolarHBondContact O-N 3.5Å; F63-E67 HydrophobicContact CE1-CG 4.16Å; F63-E67 WeakPolarHBondContact CE1-OE1 3.36Å; F63-E67 HydrophobicContact CZ-CG 4.22Å; F63-E67 WeakPolarHBondContact CZ-OE1 3.47Å; F63-E67 PolarHBondContact O-N 3.21Å
64L93.5Very high89.8Confident36 Ų3648 Ų4819%0.18825%0.251CS..Hα-helixtrans-64-34177.8-64.8171.2000113.3D2 V6 Q60 I61 K62 G68D2-L64 HydrophobicContact CB-CD1 4.24Å; D2-L64 HydrophobicContact CB-CD2 4.05Å; V6-L64 HydrophobicContact CG1-CD1 4.09Å; V6-L64 HydrophobicContact CG2-CD1 3.75Å; Q60-L64 PolarHBondContact O-N 3.16Å; I61-L64 PolarHBondContact O-N 3.28Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-L64 PolarHBondContact O-N 3.11Å; L64-G68 PolarHBondContact O-N 3.45Å
65L95Very high90.2Very high1 Ų150.4 Ų50.41%0.00526%0.258CS..Hα-helixtrans-70.2-38.7176.5-71.8175.6000111.8F3 I61 K62 F63 G68 L69 F83 C86 L87 L90F3-L65 HydrophobicContact CD2-CD2 3.73Å; F3-L65 HydrophobicContact CD2-CG 4.09Å; F3-L65 HydrophobicContact CE2-CD1 4.2Å; F3-L65 HydrophobicContact CE2-CD2 3.51Å; F3-L65 HydrophobicContact CE2-CG 3.91Å; F3-L65 HydrophobicContact CZ-CD2 4.24Å; I61-L65 HydrophobicContact CG2-CD1 3.69Å; I61-L65 HydrophobicContact CG2-CG 4.04Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 3.19Å; K62-L65 PolarHBondContact O-N 3.46Å; K62-L65 VanDerWaalsContact O-N 3.16Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 3.05Å; L65-G68 PolarHBondContact O-N 2.83Å; L65-L69 WeakPolarHBondContact O-CG 3.4Å; L65-L69 PolarHBondContact O-N 2.92Å; L65-F83 HydrophobicContact CD2-CD1 3.81Å; L65-F83 HydrophobicContact CD2-CE1 4.46Å; L65-C86 HydrophobicContact CD1-CB 4.01Å; L65-C86 HydrophobicContact CD2-CB 3.6Å; L65-C86 HydrophobicContact CG-CB 4.49Å; L65-L87 HydrophobicContact CB-CB 4.48Å; L65-L87 HydrophobicContact CB-CD1 4.48Å; L65-L87 HydrophobicContact CD1-CB 4.22Å; L65-L87 HydrophobicContact CD1-CD1 4.38Å; L65-L90 HydrophobicContact CD1-CD2 4.2Å
66L94.3Very high90.9Very high18 Ų1850.7 Ų50.79%0.09426%0.263CS..Hα-helixtrans-65.7-47.1175.7-71.6168000111.3K62 F63 G68 L69 E70 L87 T111 E114 L115K62-L66 HydrophobicContact CG-CD1 4.35Å; K62-L66 WeakPolarHBondContact O-CG 3.25Å; K62-L66 PolarHBondContact O-N 2.73Å; F63-L66 PolarHBondContact O-N 3.5Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.43Å; L66-L69 HydrophobicContact CD2-CD1 4.38Å; L66-L69 WeakPolarHBondContact O-CB 3.34Å; L66-L69 PolarHBondContact O-N 3.05Å; L66-L69 VanDerWaalsContact O-N 3.15Å; L66-E70 PolarHBondContact O-N 2.89Å; L66-L87 HydrophobicContact CD2-CD2 4.01Å; L66-T111 HydrophobicContact CD1-CG2 4.38Å; L66-T111 HydrophobicContact CD2-CG2 4.47Å; L66-E114 HydrophobicContact CD1-CB 4.41Å; L66-E114 HydrophobicContact CD1-CG 4.25Å; L66-L115 HydrophobicContact CD2-CD2 3.68Å; L66-L115 HydrophobicContact CD2-CG 4.12Å
67E92.8Very high91.5Very high97 Ų9747.3 Ų47.345%0.45324%0.242SC..Hα-helixtrans-57.5-42.2173-69.7-175.414700111.4F63 E70 A71F63-E67 HydrophobicContact CE1-CG 4.16Å; F63-E67 WeakPolarHBondContact CE1-OE1 3.36Å; F63-E67 HydrophobicContact CZ-CG 4.22Å; F63-E67 WeakPolarHBondContact CZ-OE1 3.47Å; F63-E67 PolarHBondContact O-N 3.21Å; E67-E70 PolarHBondContact O-N 3.05Å; E67-A71 WeakPolarHBondContact O-CB 3.38Å; E67-A71 PolarHBondContact O-N 3.44Å
68G93Very high91.9Very high10 Ų1045.6 Ų45.610%0.10323%0.234CC..Hα-helixtrans-62.6-40.8175.500000113.7L64 L65 L66 S72 F83L64-G68 PolarHBondContact O-N 3.45Å; L65-G68 PolarHBondContact O-N 2.83Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.43Å; G68-S72 WeakPolarHBondContact O-CB 3.44Å; G68-S72 PolarHBondContact O-N 2.86Å; G68-S72 PolarHBondContact O-OG 3.43Å; G68-F83 WeakPolarHBondContact O-CD2 3.05Å
69L94.6Very high92.3Very high1 Ų147.4 Ų47.41%0.00524%0.244CC..Hα-helixtrans-60.8-48.6174.3-78.6171000111.3L65 L66 A71 S72 S73 L80 F83 T84 L87 L145L65-L69 WeakPolarHBondContact O-CG 3.4Å; L65-L69 PolarHBondContact O-N 2.92Å; L66-L69 HydrophobicContact CD2-CD1 4.38Å; L66-L69 WeakPolarHBondContact O-CB 3.34Å; L66-L69 PolarHBondContact O-N 3.05Å; L66-L69 VanDerWaalsContact O-N 3.15Å; L69-A71 PolarHBondContact O-N 2.85Å; L69-S72 WeakPolarHBondContact CA-OG 2.97Å; L69-S72 PolarHBondContact O-N 3.15Å; L69-S72 PolarHBondContact O-OG 3.33Å; L69-S72 VanDerWaalsContact O-OG 3.1Å; L69-S73 PolarHBondContact O-N 2.91Å; L69-L80 HydrophobicContact CD2-CD1 3.73Å; L69-F83 HydrophobicContact CD2-CB 3.61Å; L69-F83 HydrophobicContact CG-CB 3.82Å; L69-T84 VanDerWaalsContact CD2-OG1 3.28Å; L69-T84 WeakPolarHBondContact CD2-OG1 3.18Å; L69-L87 HydrophobicContact CD1-CD2 3.47Å; L69-L87 VanDerWaalsContact CD1-CD2 3.47Å; L69-L145 HydrophobicContact CD1-CD1 4.49Å; L69-L145 HydrophobicContact CD1-CD2 4.26Å
70E92.6Very high92.7Very high67 Ų6742.9 Ų42.931%0.31322%0.224SC..Hα-helixtrans-62.4-45.8-179.4-71.5-177.7-176.100112L66 E67 S73 S118 V119 K122L66-E70 PolarHBondContact O-N 2.89Å; E67-E70 PolarHBondContact O-N 3.05Å; E70-S73 PolarHBondContact O-OG 3.19Å; E70-S118 WeakPolarHBondContact OE1-CB 3.22Å; E70-S118 PolarHBondContact OE1-OG 3.31Å; E70-V119 HydrophobicContact CG-CG2 4Å; E70-K122 PolarHBondContact O-NZ 3.44Å
71A91.9Very high93.1Very high55 Ų5538.1 Ų38.146%0.45520%0.202SC..Hα-helixtrans-66.3-46.5178.100000111.9E67 L69 S73 E74 I75E67-A71 WeakPolarHBondContact O-CB 3.38Å; E67-A71 PolarHBondContact O-N 3.44Å; L69-A71 PolarHBondContact O-N 2.85Å; A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.17Å; A71-E74 PolarHBondContact O-N 3.48Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.17Å
72S92.7Very high93.3Very high3 Ų339 Ų392%0.02121%0.206CC..Hα-helixtrans-67.4-26.6-176.859.20000113.6G68 L69 E74 I75 S76 L80G68-S72 WeakPolarHBondContact O-CB 3.44Å; G68-S72 PolarHBondContact O-N 2.86Å; G68-S72 PolarHBondContact O-OG 3.43Å; L69-S72 WeakPolarHBondContact CA-OG 2.97Å; L69-S72 PolarHBondContact O-N 3.15Å; L69-S72 PolarHBondContact O-OG 3.33Å; L69-S72 VanDerWaalsContact O-OG 3.1Å; S72-E74 PolarHBondContact O-N 2.99Å; S72-E74 VanDerWaalsContact O-N 3.1Å; S72-I75 PolarHBondContact O-N 2.86Å; S72-S76 PolarHBondContact O-N 2.95Å; S72-L80 WeakPolarHBondContact OG-CA 3.49Å
73S89Confident93.5Very high8 Ų841.2 Ų41.26%0.05622%0.216CC..THydrogen-bonded Turntrans-56.5-26176.670.60000113.5L69 E70 A71 K122 K126L69-S73 PolarHBondContact O-N 2.91Å; E70-S73 PolarHBondContact O-OG 3.19Å; A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.17Å; S73-K122 WeakPolarHBondContact OG-CE 3.39Å; S73-K122 PolarHBondContact OG-NZ 3.06Å; S73-K126 PolarHBondContact O-NZ 3.22Å
74E87.5Confident93.7Very high119 Ų11935.3 Ų35.356%0.55619%0.19SC*.THydrogen-bonded Turntrans-93.6-13.2175.3-62.8-53.2141.800114.5A71 S72 K122 K126A71-E74 PolarHBondContact O-N 3.48Å; S72-E74 PolarHBondContact O-N 2.99Å; S72-E74 VanDerWaalsContact O-N 3.1Å; E74-K122 WeakPolarHBondContact OE1-CE 3.37Å; E74-K122 IonicContact OE1-NZ 2.66Å; E74-K122 PolarHBondContact OE1-NZ 3.04Å; E74-K126 WeakPolarHBondContact OE1-CE 3.36Å; E74-K126 IonicContact OE1-NZ 3.37Å; E74-K126 PolarHBondContact OE1-NZ 3.11Å; E74-K126 IonicContact OE2-NZ 3.6Å; E74-K126 PolarHBondContact OE2-NZ 3.34Å
75I90.1Very high93.9Very high124 Ų12433.6 Ų33.664%0.63618%0.181SC*.THydrogen-bonded Turntrans-108.8-50.1-165.3-60.4169.8000111.4A71 S72 L79A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.17Å; S72-I75 PolarHBondContact O-N 2.86Å; I75-L79 HydrophobicContact CG2-CD1 4.31Å
76S92.9Very high93.9Very high35 Ų3533.7 Ų33.725%0.24518%0.181CC..  trans-166.4127.3-168.7174.90000111.7S72 P78 L79 L80S72-S76 PolarHBondContact O-N 2.95Å; S76-P78 WeakPolarHBondContact OG-CD 3.45Å; S76-L79 PolarHBondContact O-N 2.89Å; S76-L80 PolarHBondContact O-N 3.42Å
77N94.7Very high94Very high38 Ų3832.8 Ų32.820%0.20318%0.177CC..Hα-helixtrans-66.8-36.1176.7-48.2-54.4000113.1D28 L79 L80 C81 L137D28-N77 VanDerWaalsContact OD1-CB 3.25Å; D28-N77 WeakPolarHBondContact OD1-CB 3.49Å; D28-N77 PolarHBondContact OD1-ND2 3Å; N77-L79 VanDerWaalsContact C-N 3.3Å; N77-L79 PolarHBondContact O-N 3.18Å; N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 3.26Å; N77-C81 WeakPolarHBondContact O-CB 3.46Å; N77-C81 PolarHBondContact O-N 3.41Å; N77-L137 HydrophobicContact CB-CB 3.84Å
78P95.5Very high94.1Very high18 Ų1828.2 Ų28.212%0.11716%0.155CC..Hα-helixtrans-55.8-41.8169.6-31.834.1000113.5L26 D28 S76 C81 I82 L137L26-P78 HydrophobicContact CB-CB 4.16Å; L26-P78 HydrophobicContact CB-CG 4.49Å; L26-P78 HydrophobicContact CD1-CB 4.43Å; D28-P78 VanDerWaalsContact OD1-CD 3.23Å; D28-P78 WeakPolarHBondContact OD1-CD 3.42Å; S76-P78 WeakPolarHBondContact OG-CD 3.45Å; P78-C81 PolarHBondContact O-N 3.44Å; P78-I82 VanDerWaalsContact O-CG1 3.31Å; P78-I82 WeakPolarHBondContact O-CG1 3.17Å; P78-I82 PolarHBondContact O-N 3.27Å; P78-L137 HydrophobicContact CG-CD1 4.09Å
79L94.6Very high94.2Very high41 Ų4127.9 Ų27.922%0.21515%0.151CC..Hα-helixtrans-66.9-43.7175.9-69.1179.6000111.5I75 S76 N77 C81 I82 F83I75-L79 HydrophobicContact CG2-CD1 4.31Å; S76-L79 PolarHBondContact O-N 2.89Å; N77-L79 VanDerWaalsContact C-N 3.3Å; N77-L79 PolarHBondContact O-N 3.18Å; L79-C81 VanDerWaalsContact C-N 3.28Å; L79-C81 PolarHBondContact O-N 2.74Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 PolarHBondContact O-N 3.4Å; L79-I82 VanDerWaalsContact O-N 3.12Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 PolarHBondContact O-N 3.42Å
80L96.3Very high94.1Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-56.7-43.3175-179.670.1000111.6L69 S72 S76 N77 I82 F83 T84 L123 L138L69-L80 HydrophobicContact CD2-CD1 3.73Å; S72-L80 WeakPolarHBondContact OG-CA 3.49Å; S76-L80 PolarHBondContact O-N 3.42Å; N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 3.26Å; L80-I82 PolarHBondContact O-N 3.47Å; L80-F83 PolarHBondContact O-N 2.97Å; L80-T84 VanDerWaalsContact O-CB 3.31Å; L80-T84 WeakPolarHBondContact O-CB 3.47Å; L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 PolarHBondContact O-OG1 3.45Å; L80-L123 HydrophobicContact CD1-CD2 4.28Å; L80-L123 HydrophobicContact CD2-CD2 3.74Å; L80-L138 HydrophobicContact CD2-CD1 3.66Å
81C96.9Very high94Very high0 Ų024.7 Ų24.70%014%0.137CC..Hα-helixtrans-61.8-41.7176179.10000111.7L26 N77 P78 L79 T84 L85 L137 W140L26-C81 HydrophobicContact CD1-CB 3.98Å; N77-C81 WeakPolarHBondContact O-CB 3.46Å; N77-C81 PolarHBondContact O-N 3.41Å; P78-C81 PolarHBondContact O-N 3.44Å; L79-C81 VanDerWaalsContact C-N 3.28Å; L79-C81 PolarHBondContact O-N 2.74Å; C81-T84 PolarHBondContact O-N 3.45Å; C81-L85 VanDerWaalsContact O-CB 3.26Å; C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 PolarHBondContact O-N 3.08Å; C81-L137 HydrophobicContact CB-CD1 4.39Å; C81-L137 HydrophobicContact CB-CD2 4.28Å; C81-W140 HydrophobicContact CB-CE3 4.47Å; C81-W140 HydrophobicContact CB-CZ3 4.32Å; C81-W140 WeakPolarHBondContact SG-CZ3 3.46Å
82I96.6Very high93.8Very high19 Ų1922.2 Ų22.210%0.09712%0.116CC..Hα-helixtrans-63.1-47.9177.6-71-67.7000111.3L19 I22 R23 L26 P78 L79 L80 T84 L85 C86L19-I82 HydrophobicContact CD2-CD1 4.37Å; L19-I82 HydrophobicContact CD2-CG2 4.2Å; I22-I82 HydrophobicContact CB-CD1 4.05Å; I22-I82 HydrophobicContact CG2-CD1 3.5Å; I22-I82 VanDerWaalsContact CG2-CD1 3.5Å; R23-I82 HydrophobicContact CB-CD1 4.15Å; R23-I82 HydrophobicContact CB-CG1 4.23Å; L26-I82 HydrophobicContact CD1-CD1 4.05Å; L26-I82 HydrophobicContact CD1-CG1 4.08Å; P78-I82 VanDerWaalsContact O-CG1 3.31Å; P78-I82 WeakPolarHBondContact O-CG1 3.17Å; P78-I82 PolarHBondContact O-N 3.27Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 PolarHBondContact O-N 3.4Å; L79-I82 VanDerWaalsContact O-N 3.12Å; L80-I82 PolarHBondContact O-N 3.47Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 3.19Å; I82-L85 PolarHBondContact O-N 2.7Å; I82-C86 PolarHBondContact O-N 3.45Å; I82-C86 PolarHBondContact O-SG 3.36Å
83F96.5Very high93.3Very high52 Ų5222.4 Ų22.423%0.22812%0.117CC..Hα-helixtrans-63.9-40.3177.3-75.4-68.5000111.6L65 G68 L69 L79 L80 C86 L87L65-F83 HydrophobicContact CD2-CD1 3.81Å; L65-F83 HydrophobicContact CD2-CE1 4.46Å; G68-F83 WeakPolarHBondContact O-CD2 3.05Å; L69-F83 HydrophobicContact CD2-CB 3.61Å; L69-F83 HydrophobicContact CG-CB 3.82Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 PolarHBondContact O-N 3.42Å; L80-F83 PolarHBondContact O-N 2.97Å; F83-C86 PolarHBondContact O-N 3.36Å; F83-L87 WeakPolarHBondContact O-CB 3.19Å; F83-L87 PolarHBondContact O-N 3.04Å
84T97.2Very high92.6Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-60.9-49.2175.6-61.10000110.9L69 L80 C81 I82 C86 L87 C88 W140 M144 L145L69-T84 VanDerWaalsContact CD2-OG1 3.28Å; L69-T84 WeakPolarHBondContact CD2-OG1 3.18Å; L80-T84 VanDerWaalsContact O-CB 3.31Å; L80-T84 WeakPolarHBondContact O-CB 3.47Å; L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 PolarHBondContact O-OG1 3.45Å; C81-T84 PolarHBondContact O-N 3.45Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 3.19Å; T84-C86 VanDerWaalsContact C-N 3.34Å; T84-C86 PolarHBondContact O-N 2.9Å; T84-L87 PolarHBondContact O-N 3.01Å; T84-C88 WeakPolarHBondContact O-CB 3.45Å; T84-C88 PolarHBondContact O-N 3.36Å; T84-C88 PolarHBondContact O-SG 2.83Å; T84-W140 HydrophobicContact CG2-CZ3 3.94Å; T84-M144 HydrophobicContact CG2-CB 3.84Å; T84-L145 HydrophobicContact CG2-CD2 3.97Å; T84-L145 HydrophobicContact CG2-CG 3.81Å
85L96.9Very high92Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-57.5-47.3178.3-178.6155.3000111.2I22 F39 V43 L46 C81 I82 C88 L89 W140 F216I22-L85 HydrophobicContact CD1-CD1 4.41Å; I22-L85 HydrophobicContact CG2-CD1 4.33Å; F39-L85 HydrophobicContact CZ-CD1 4.25Å; V43-L85 HydrophobicContact CG2-CD1 4.22Å; L46-L85 HydrophobicContact CD1-CD2 3.85Å; C81-L85 VanDerWaalsContact O-CB 3.26Å; C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 PolarHBondContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 2.7Å; L85-C88 PolarHBondContact O-N 2.88Å; L85-L89 HydrophobicContact CD2-CD1 3.54Å; L85-L89 HydrophobicContact CD2-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.4Å; L85-L89 PolarHBondContact O-N 2.7Å; L85-W140 HydrophobicContact CB-CH2 4.5Å; L85-F216 HydrophobicContact CG-CD1 4.37Å; L85-F216 HydrophobicContact CG-CE1 4.28Å
86C96.2Very high90.9Very high2 Ų215.5 Ų15.51%0.0148%0.077CC..Hα-helixtrans-63-44.3179-66.60000111.7F3 F50 L65 I82 F83 T84 L89 L90F3-C86 HydrophobicContact CZ-CB 4.48Å; F50-C86 HydrophobicContact CE1-CB 4Å; F50-C86 WeakPolarHBondContact CE1-O 3.35Å; F50-C86 HydrophobicContact CZ-CB 3.9Å; L65-C86 HydrophobicContact CD1-CB 4.01Å; L65-C86 HydrophobicContact CD2-CB 3.6Å; L65-C86 HydrophobicContact CG-CB 4.49Å; I82-C86 PolarHBondContact O-N 3.45Å; I82-C86 PolarHBondContact O-SG 3.36Å; F83-C86 PolarHBondContact O-N 3.36Å; T84-C86 VanDerWaalsContact C-N 3.34Å; T84-C86 PolarHBondContact O-N 2.9Å; C86-L89 PolarHBondContact O-N 3.16Å; C86-L90 WeakPolarHBondContact O-CB 3.28Å; C86-L90 PolarHBondContact O-N 3.43Å
87L95.9Very high89.5Confident0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-63.8-45.9178.7-177.459.7000110.9K62 L65 L66 L69 F83 T84 L89 L90 E91 L115 L145 F149K62-L87 HydrophobicContact CD-CD1 4.47Å; K62-L87 HydrophobicContact CG-CD1 3.71Å; L65-L87 HydrophobicContact CB-CB 4.48Å; L65-L87 HydrophobicContact CB-CD1 4.48Å; L65-L87 HydrophobicContact CD1-CB 4.22Å; L65-L87 HydrophobicContact CD1-CD1 4.38Å; L66-L87 HydrophobicContact CD2-CD2 4.01Å; L69-L87 HydrophobicContact CD1-CD2 3.47Å; L69-L87 VanDerWaalsContact CD1-CD2 3.47Å; F83-L87 WeakPolarHBondContact O-CB 3.19Å; F83-L87 PolarHBondContact O-N 3.04Å; T84-L87 PolarHBondContact O-N 3.01Å; L87-L89 PolarHBondContact O-N 3.06Å; L87-L90 WeakPolarHBondContact O-CB 3.31Å; L87-L90 PolarHBondContact O-N 3.24Å; L87-E91 HydrophobicContact CD1-CG 4.29Å; L87-E91 WeakPolarHBondContact O-CG 3.31Å; L87-E91 PolarHBondContact O-N 2.88Å; L87-L115 HydrophobicContact CD2-CD2 4.44Å; L87-L145 HydrophobicContact CD2-CD2 3.89Å; L87-F149 HydrophobicContact CD1-CZ 4.22Å; L87-F149 HydrophobicContact CD2-CE2 3.87Å; L87-F149 HydrophobicContact CD2-CZ 3.91Å; L87-F149 HydrophobicContact CG-CE2 4.06Å; L87-F149 HydrophobicContact CG-CZ 3.93Å
88C95.5Very high88Confident0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-61-44.5177.9-69.30000112.1T84 L85 L90 E91 L92 T148 F216T84-C88 WeakPolarHBondContact O-CB 3.45Å; T84-C88 PolarHBondContact O-N 3.36Å; T84-C88 PolarHBondContact O-SG 2.83Å; L85-C88 PolarHBondContact O-N 2.88Å; C88-L90 VanDerWaalsContact C-N 3.31Å; C88-L90 PolarHBondContact O-N 3.2Å; C88-E91 PolarHBondContact O-N 2.94Å; C88-L92 VanDerWaalsContact O-CB 3.29Å; C88-L92 WeakPolarHBondContact O-CB 2.97Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.3Å; C88-T148 HydrophobicContact CB-CG2 4.18Å; C88-T148 PolarHBondContact SG-OG1 2.91Å; C88-F216 HydrophobicContact CB-CE1 4.21Å; C88-F216 HydrophobicContact CB-CZ 4.19Å
89L93.7Very high86.3Confident3 Ų321 Ų212%0.01611%0.106CC..Hα-helixtrans-63.2-37.6176.2-73179.9000112.3V43 L46 Q47 F50 L85 C86 L87 S93 F216V43-L89 HydrophobicContact CG1-CD1 4.5Å; V43-L89 HydrophobicContact CG1-CD2 4.18Å; L46-L89 HydrophobicContact CB-CD1 3.67Å; L46-L89 HydrophobicContact CD1-CD1 4.49Å; Q47-L89 HydrophobicContact CB-CD2 4Å; Q47-L89 HydrophobicContact CG-CD2 4.2Å; F50-L89 HydrophobicContact CB-CB 4.47Å; F50-L89 HydrophobicContact CD1-CB 4.11Å; F50-L89 HydrophobicContact CG-CB 4.28Å; L85-L89 HydrophobicContact CD2-CD1 3.54Å; L85-L89 HydrophobicContact CD2-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.4Å; L85-L89 PolarHBondContact O-N 2.7Å; C86-L89 PolarHBondContact O-N 3.16Å; L87-L89 PolarHBondContact O-N 3.06Å; L89-S93 PolarHBondContact O-N 3.5Å; L89-F216 HydrophobicContact CD2-CE1 4.33Å; L89-F216 HydrophobicContact CD2-CE2 3.96Å; L89-F216 HydrophobicContact CD2-CZ 3.66Å; L89-F216 HydrophobicContact CG-CE1 4.42Å; L89-F216 HydrophobicContact CG-CZ 4.12Å
90L92.4Very high85Confident1 Ų125 Ų251%0.00512%0.119CC..Hα-helixtrans-63.2-47.2176.7-16471.3000111.1F50 I53 R58 I61 K62 L65 C86 L87 C88 S93F50-L90 HydrophobicContact CD1-CB 3.85Å; F50-L90 HydrophobicContact CD1-CD1 3.71Å; F50-L90 HydrophobicContact CD1-CG 4.42Å; F50-L90 HydrophobicContact CE1-CB 4.24Å; F50-L90 HydrophobicContact CE1-CD1 4.28Å; I53-L90 HydrophobicContact CD1-CD1 4.26Å; R58-L90 HydrophobicContact CB-CD1 4.15Å; R58-L90 HydrophobicContact CB-CD2 4.33Å; R58-L90 HydrophobicContact CB-CG 4.35Å; R58-L90 HydrophobicContact CG-CD1 3.72Å; R58-L90 HydrophobicContact CG-CG 4.32Å; I61-L90 HydrophobicContact CB-CD2 4.33Å; I61-L90 HydrophobicContact CG2-CD1 4.47Å; I61-L90 HydrophobicContact CG2-CD2 3.91Å; K62-L90 HydrophobicContact CB-CD2 4.08Å; L65-L90 HydrophobicContact CD1-CD2 4.2Å; C86-L90 WeakPolarHBondContact O-CB 3.28Å; C86-L90 PolarHBondContact O-N 3.43Å; L87-L90 WeakPolarHBondContact O-CB 3.31Å; L87-L90 PolarHBondContact O-N 3.24Å; C88-L90 VanDerWaalsContact C-N 3.31Å; C88-L90 PolarHBondContact O-N 3.2Å; L90-S93 WeakPolarHBondContact O-CB 3.49Å; L90-S93 PolarHBondContact O-N 3.4Å; L90-S93 PolarHBondContact O-OG 3.42Å
91E90.9Very high83.9Confident1 Ų125.8 Ų25.81%0.00512%0.124CC..Hα-helixtrans-74.4-40.3-177.9-65.4-65.917100112.9K62 L87 C88 S93 V94 T148 F149K62-E91 VanDerWaalsContact CD-OE1 3.27Å; K62-E91 WeakPolarHBondContact CD-OE1 3.45Å; K62-E91 WeakPolarHBondContact CE-OE1 3.35Å; K62-E91 IonicContact NZ-OE1 2.91Å; K62-E91 PolarHBondContact NZ-OE1 3.22Å; K62-E91 IonicContact NZ-OE2 2.67Å; L87-E91 HydrophobicContact CD1-CG 4.29Å; L87-E91 WeakPolarHBondContact O-CG 3.31Å; L87-E91 PolarHBondContact O-N 2.88Å; C88-E91 PolarHBondContact O-N 2.94Å; E91-S93 PolarHBondContact O-N 3.39Å; E91-V94 WeakPolarHBondContact O-CB 3.37Å; E91-V94 WeakPolarHBondContact O-CG2 3.36Å; E91-V94 PolarHBondContact O-N 3.02Å; E91-T148 HydrophobicContact CB-CG2 4.08Å; E91-F149 HydrophobicContact CG-CE1 3.64Å; E91-F149 HydrophobicContact CG-CE2 4.36Å; E91-F149 HydrophobicContact CG-CZ 3.5Å; E91-F149 VanDerWaalsContact CG-CZ 3.5Å
92L87.4Confident82.7Confident3 Ų330.6 Ų30.62%0.01615%0.15CC..Hα-helixtrans-62.3-27.7175-70172.9000111.4C88 V94 L95 T148 L212 F216 I243 F245C88-L92 VanDerWaalsContact O-CB 3.29Å; C88-L92 WeakPolarHBondContact O-CB 2.97Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.3Å; L92-V94 PolarHBondContact O-N 3.49Å; L92-L95 HydrophobicContact CD2-CD1 3.89Å; L92-L95 PolarHBondContact O-N 3.37Å; L92-T148 HydrophobicContact CD1-CG2 4.49Å; L92-T148 HydrophobicContact CD2-CG2 4.01Å; L92-T148 HydrophobicContact CG-CG2 3.84Å; L92-L212 HydrophobicContact CD1-CD1 4.43Å; L92-L212 HydrophobicContact CD1-CD2 3.81Å; L92-F216 HydrophobicContact CD1-CE2 4.09Å; L92-F216 HydrophobicContact CD1-CZ 4Å; L92-I243 HydrophobicContact CD2-CD1 4.46Å; L92-F245 HydrophobicContact CB-CE1 4.08Å; L92-F245 HydrophobicContact CB-CZ 4.06Å; L92-F245 HydrophobicContact CD2-CZ 4.31Å; L92-F245 VanDerWaalsContact O-CE1 3.25Å; L92-F245 WeakPolarHBondContact O-CE1 3.23Å; L92-F245 WeakPolarHBondContact O-CZ 3.26Å
93S81.7Confident81.8Confident7 Ų733.2 Ų33.25%0.04916%0.164CC..Hα-helixtrans-65.6-27.8172.9830000113.5L89 L90 E91 L95 R96L89-S93 PolarHBondContact O-N 3.5Å; L90-S93 WeakPolarHBondContact O-CB 3.49Å; L90-S93 PolarHBondContact O-N 3.4Å; L90-S93 PolarHBondContact O-OG 3.42Å; E91-S93 PolarHBondContact O-N 3.39Å; S93-L95 VanDerWaalsContact C-N 3.25Å; S93-L95 PolarHBondContact O-N 3.42Å; S93-R96 PolarHBondContact O-N 2.79Å
94V75.8Confident81.2Confident2 Ų230.8 Ų30.81%0.01215%0.153CC..Hα-helixtrans-63.4-33.7177.6176.70000111.3R58 E91 L92 R96 N97 E104 I108 W155R58-V94 VanDerWaalsContact NH1-CG2 3.28Å; E91-V94 WeakPolarHBondContact O-CB 3.37Å; E91-V94 WeakPolarHBondContact O-CG2 3.36Å; E91-V94 PolarHBondContact O-N 3.02Å; L92-V94 PolarHBondContact O-N 3.49Å; V94-R96 PolarHBondContact O-N 3.12Å; V94-N97 PolarHBondContact O-N 3.05Å; V94-E104 HydrophobicContact CG1-CB 3.52Å; V94-E104 VanDerWaalsContact CG1-CD 3.4Å; V94-E104 HydrophobicContact CG1-CG 3.69Å; V94-I108 HydrophobicContact CG1-CD1 3.73Å; V94-I108 HydrophobicContact CG1-CG1 4.4Å; V94-W155 HydrophobicContact CG1-CH2 4.23Å; V94-W155 HydrophobicContact CG1-CZ3 4.23Å
95L74.2Confident80.6Confident11 Ų1130.8 Ų30.86%0.05815%0.153CC..THydrogen-bonded Turntrans-60.6-18.9-176.3-53-168.1000112.9L92 S93 C152 W155 I243 F245L92-L95 HydrophobicContact CD2-CD1 3.89Å; L92-L95 PolarHBondContact O-N 3.37Å; S93-L95 VanDerWaalsContact C-N 3.25Å; S93-L95 PolarHBondContact O-N 3.42Å; L95-C152 HydrophobicContact CD2-CB 4.46Å; L95-W155 HydrophobicContact CD2-CB 3.6Å; L95-W155 HydrophobicContact CD2-CD2 3.82Å; L95-W155 HydrophobicContact CD2-CE3 4.28Å; L95-W155 HydrophobicContact CD2-CG 3.53Å; L95-W155 PolarHBondContact O-NE1 3.09Å; L95-I243 HydrophobicContact CD1-CD1 4.33Å; L95-F245 HydrophobicContact CB-CE2 3.71Å; L95-F245 HydrophobicContact CB-CZ 3.85Å; L95-F245 HydrophobicContact CD1-CE2 3.8Å; L95-F245 HydrophobicContact CD1-CZ 3.77Å; L95-F245 HydrophobicContact CG-CE2 4.27Å; L95-F245 HydrophobicContact CG-CZ 4.12Å
96R66.1Low80.1Confident92 Ų9236.5 Ų36.535%0.34718%0.18SC..THydrogen-bonded Turntrans-83.2-21.4174.9-59.2-174.165.9-179.24113.6M51 S93 V94 C98 F245 E247M51-R96 PolarHBondContact SD-NH1 3.05Å; S93-R96 PolarHBondContact O-N 2.79Å; V94-R96 PolarHBondContact O-N 3.12Å; R96-C98 PolarHBondContact O-N 2.95Å; R96-C98 VanDerWaalsContact O-N 3.09Å; R96-F245 HydrophobicContact CG-CD1 4.43Å; R96-F245 HydrophobicContact CG-CG 4.44Å; R96-E247 IonicContact NH2-OE1 2.65Å
97N64.2Low79.7Confident62 Ų6237.1 Ų37.133%0.33218%0.183SC..  trans-88.252-178.4-66.5-19.3000111.4R58 V94 D99 R100 E104R58-N97 PolarHBondContact NH1-ND2 3.22Å; R58-N97 VanDerWaalsContact NH1-ND2 3.15Å; V94-N97 PolarHBondContact O-N 3.05Å; N97-D99 PolarHBondContact O-N 3.4Å; N97-R100 PolarHBondContact O-N 2.97Å; N97-E104 HydrophobicContact CB-CG 4.38Å; N97-E104 WeakPolarHBondContact CB-OE1 3.2Å; N97-E104 PolarHBondContact ND2-OE1 2.83Å
98C64.3Low79.5Confident46 Ų4637.1 Ų37.131%0.31118%0.183SC..G310 helixtrans-51.9-30.6175.8-63.90000111.9R96 R100 S101R96-C98 PolarHBondContact O-N 2.95Å; R96-C98 VanDerWaalsContact O-N 3.09Å; C98-R100 PolarHBondContact O-N 3.12Å; C98-S101 WeakPolarHBondContact O-CB 3.26Å; C98-S101 PolarHBondContact O-N 3.43Å; C98-S101 PolarHBondContact O-OG 3.44Å
99D59.8Low79.2Confident99 Ų9938.9 Ų38.953%0.52919%0.189SC..G310 helixtrans-70.8-11.4-177.5-62.5-25.8000115.4N97 L362N97-D99 PolarHBondContact O-N 3.4Å; D99-L362 HydrophobicContact CB-CD1 3.84Å; D99-L362 WeakPolarHBondContact O-CD1 3.49Å; D99-L362 WeakPolarHBondContact O-CD2 3.46Å
100R67Low79.1Confident126 Ų12642.5 Ų42.548%0.47521%0.212SC..G310 helixtrans-128.627.1178.5-61.4-171.8-177.8-132.3-0.3111.4N97 C98 D102 L103 E104N97-R100 PolarHBondContact O-N 2.97Å; C98-R100 PolarHBondContact O-N 3.12Å; R100-D102 PolarHBondContact O-N 3.12Å; R100-D102 VanDerWaalsContact O-N 3.13Å; R100-L103 PolarHBondContact O-N 3.47Å; R100-E104 HydrophobicContact CB-CG 4.24Å; R100-E104 WeakPolarHBondContact O-CB 3.3Å; R100-E104 WeakPolarHBondContact O-CG 3.39Å; R100-E104 PolarHBondContact O-N 2.9Å
101S72.7Confident79.1Confident15 Ų1542.7 Ų42.711%0.10521%0.213CC..Hα-helixtrans-55.3-32.3-173.343.30000113.2C98 S105 C161C98-S101 WeakPolarHBondContact O-CB 3.26Å; C98-S101 PolarHBondContact O-N 3.43Å; C98-S101 PolarHBondContact O-OG 3.44Å; S101-S105 WeakPolarHBondContact O-CB 3.26Å; S101-S105 PolarHBondContact O-N 2.99Å; S101-S105 PolarHBondContact O-OG 2.98Å; S101-C161 PolarHBondContact OG-SG 3.25Å
102D72.2Confident79.3Confident102 Ų10242.7 Ų42.755%0.54521%0.213SC..Hα-helixtrans-58.8-53.4172.863-36.4000112.6R100 E104 S105R100-D102 PolarHBondContact O-N 3.12Å; R100-D102 VanDerWaalsContact O-N 3.13Å; D102-E104 VanDerWaalsContact C-N 3.35Å; D102-S105 PolarHBondContact O-N 3.48Å
103L77.9Confident79.5Confident74 Ų7447.8 Ų47.839%0.38724%0.235SC..Hα-helixtrans-67.3-37.7-179.8-65.1177000111.8M55 R100M55-L103 VanDerWaalsContact CE-C 3.42Å; M55-L103 HydrophobicContact CE-CB 3.52Å; M55-L103 WeakPolarHBondContact CE-O 3.16Å; M55-L103 HydrophobicContact SD-CB 3.78Å; M55-L103 HydrophobicContact SD-CD1 4.17Å; R100-L103 PolarHBondContact O-N 3.47Å
104E83.4Confident80.1Confident0 Ų050.7 Ų50.70%025%0.248CC..Hα-helixtrans-71-35.2179-62-76-154.900111.7R58 V94 N97 R100 D102 D107 I108 W155R58-E104 IonicContact CZ-OE1 3.65Å; R58-E104 VanDerWaalsContact CZ-OE1 3.23Å; R58-E104 IonicContact CZ-OE2 3.16Å; R58-E104 IonicContact NH1-OE1 3.3Å; R58-E104 PolarHBondContact NH1-OE1 3.21Å; R58-E104 IonicContact NH1-OE2 3.72Å; R58-E104 IonicContact NH2-OE1 2.68Å; R58-E104 PolarHBondContact NH2-OE1 3.17Å; R58-E104 IonicContact NH2-OE2 3.04Å; R58-E104 PolarHBondContact NH2-OE2 3.27Å; V94-E104 HydrophobicContact CG1-CB 3.52Å; V94-E104 VanDerWaalsContact CG1-CD 3.4Å; V94-E104 HydrophobicContact CG1-CG 3.69Å; N97-E104 HydrophobicContact CB-CG 4.38Å; N97-E104 WeakPolarHBondContact CB-OE1 3.2Å; N97-E104 PolarHBondContact ND2-OE1 2.83Å; R100-E104 HydrophobicContact CB-CG 4.24Å; R100-E104 WeakPolarHBondContact O-CB 3.3Å; R100-E104 WeakPolarHBondContact O-CG 3.39Å; R100-E104 PolarHBondContact O-N 2.9Å; D102-E104 VanDerWaalsContact C-N 3.35Å; E104-D107 PolarHBondContact O-N 2.9Å; E104-I108 WeakPolarHBondContact O-CB 3.24Å; E104-I108 VanDerWaalsContact O-CG1 3.29Å; E104-I108 WeakPolarHBondContact O-CG1 3.31Å; E104-I108 PolarHBondContact O-N 3.46Å; E104-W155 HydrophobicContact CB-CH2 4.11Å; E104-W155 HydrophobicContact CB-CZ3 4.11Å
105S85.2Confident81Confident1 Ų150.6 Ų50.61%0.00725%0.247CC..Hα-helixtrans-67.1-41.1-176.4-65.90000112.8S101 D102 D107 W109 V156 C161S101-S105 WeakPolarHBondContact O-CB 3.26Å; S101-S105 PolarHBondContact O-N 2.99Å; S101-S105 PolarHBondContact O-OG 2.98Å; D102-S105 PolarHBondContact O-N 3.48Å; S105-D107 VanDerWaalsContact C-N 3.31Å; S105-W109 VanDerWaalsContact O-CB 3.26Å; S105-W109 WeakPolarHBondContact O-CB 3.34Å; S105-W109 PolarHBondContact O-N 2.92Å; S105-V156 WeakPolarHBondContact OG-CG1 3.41Å; S105-C161 WeakPolarHBondContact CB-O 3.31Å; S105-C161 WeakPolarHBondContact OG-CB 3.27Å; S105-C161 PolarHBondContact OG-O 3.12Å
106E86.1Confident81.9Confident120 Ų12051.6 Ų51.656%0.56125%0.253SS*.Hα-helixtrans-63.9-40.2175.3-172.5-177.3-176.400111.4W109 T110E106-W109 PolarHBondContact O-N 2.76Å; E106-T110 WeakPolarHBondContact O-CB 3.38Å; E106-T110 PolarHBondContact O-N 3.24Å; E106-T110 PolarHBondContact O-OG1 3.18Å
107D88.4Confident83.2Confident15 Ų1556.7 Ų56.78%0.0827%0.272CS..Hα-helixtrans-67.9-46180-168.760000112M55 K59 K62 E104 S105 W109 T110 T111M55-D107 HydrophobicContact CE-CB 4.5Å; K59-D107 WeakPolarHBondContact CE-OD1 3.41Å; K59-D107 WeakPolarHBondContact CG-OD1 3.41Å; K62-D107 VanDerWaalsContact CE-OD2 3.27Å; K62-D107 WeakPolarHBondContact CE-OD2 3.32Å; K62-D107 VanDerWaalsContact NZ-CG 3.3Å; K62-D107 IonicContact NZ-OD1 3.23Å; K62-D107 IonicContact NZ-OD2 2.59Å; K62-D107 PolarHBondContact NZ-OD2 3.25Å; E104-D107 PolarHBondContact O-N 2.9Å; S105-D107 VanDerWaalsContact C-N 3.31Å; D107-W109 VanDerWaalsContact C-N 3.33Å; D107-W109 PolarHBondContact O-N 2.96Å; D107-T110 PolarHBondContact O-N 3.04Å; D107-T111 PolarHBondContact O-N 3.17Å; D107-T111 VanDerWaalsContact O-N 3.12Å; D107-T111 PolarHBondContact O-OG1 3.5Å
108I90.4Very high84.4Confident0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-57.2-48.3172-72.8165.5000109.8V94 E104 T110 T111 I112 C152 W155 V156V94-I108 HydrophobicContact CG1-CD1 3.73Å; V94-I108 HydrophobicContact CG1-CG1 4.4Å; E104-I108 WeakPolarHBondContact O-CB 3.24Å; E104-I108 VanDerWaalsContact O-CG1 3.29Å; E104-I108 WeakPolarHBondContact O-CG1 3.31Å; E104-I108 PolarHBondContact O-N 3.46Å; I108-T110 PolarHBondContact O-N 3.03Å; I108-T111 WeakPolarHBondContact O-CB 3.1Å; I108-T111 PolarHBondContact O-N 2.98Å; I108-T111 VanDerWaalsContact O-N 3.12Å; I108-I112 HydrophobicContact CG2-CD1 3.72Å; I108-I112 HydrophobicContact CG2-CG1 4.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 3.31Å; I108-C152 HydrophobicContact CD1-CB 4.15Å; I108-C152 HydrophobicContact CG1-CB 4.39Å; I108-C152 HydrophobicContact CG2-CB 3.74Å; I108-W155 HydrophobicContact CD1-CE3 4.08Å; I108-W155 HydrophobicContact CD1-CZ3 4.02Å; I108-V156 HydrophobicContact CB-CG2 4.24Å; I108-V156 HydrophobicContact CD1-CG2 3.72Å; I108-V156 HydrophobicContact CG2-CG2 4.08Å
109W90Very high85.8Confident36 Ų3653.2 Ų53.214%0.13625%0.253CS..Hα-helixtrans-64.7-39.4-176.9179.4-129.4000113.6S105 E106 D107 T111 I112 K113 P163 F167S105-W109 VanDerWaalsContact O-CB 3.26Å; S105-W109 WeakPolarHBondContact O-CB 3.34Å; S105-W109 PolarHBondContact O-N 2.92Å; E106-W109 PolarHBondContact O-N 2.76Å; D107-W109 VanDerWaalsContact C-N 3.33Å; D107-W109 PolarHBondContact O-N 2.96Å; W109-T111 VanDerWaalsContact C-N 3.26Å; W109-T111 PolarHBondContact O-N 3.43Å; W109-I112 HydrophobicContact CE3-CB 4.2Å; W109-I112 HydrophobicContact CE3-CD1 4.47Å; W109-I112 HydrophobicContact CE3-CG2 4.03Å; W109-I112 HydrophobicContact CZ3-CG2 3.9Å; W109-I112 PolarHBondContact O-N 3.3Å; W109-K113 HydrophobicContact CD2-CG 4.49Å; W109-K113 VanDerWaalsContact CE2-CE 3.42Å; W109-K113 HydrophobicContact CZ2-CG 4.4Å; W109-K113 WeakPolarHBondContact O-CG 3.41Å; W109-K113 PolarHBondContact O-N 2.91Å; W109-P163 HydrophobicContact CB-CB 3.93Å; W109-P163 HydrophobicContact CB-CG 3.48Å; W109-P163 VanDerWaalsContact CB-CG 3.48Å; W109-P163 HydrophobicContact CD2-CG 4.26Å; W109-P163 HydrophobicContact CG-CB 4.08Å; W109-P163 HydrophobicContact CG-CG 3.57Å; W109-F167 HydrophobicContact CD2-CD2 4.01Å; W109-F167 HydrophobicContact CD2-CE2 4.5Å; W109-F167 AromaticContact CE3-CD2 3.61Å; W109-F167 HydrophobicContact CE3-CD2 3.61Å; W109-F167 AromaticContact CE3-CE2 3.81Å; W109-F167 HydrophobicContact CE3-CE2 3.81Å; W109-F167 HydrophobicContact CH2-CD2 4.39Å; W109-F167 AromaticContact CZ3-CD2 3.83Å; W109-F167 HydrophobicContact CZ3-CD2 3.83Å; W109-F167 HydrophobicContact CZ3-CE2 4.16Å
110T90.5Very high87.4Confident80 Ų8048.7 Ų48.749%0.49123%0.228SC..Hα-helixtrans-61.2-40.5174.1-58.60000110.8E106 D107 I108 K113 E114E106-T110 WeakPolarHBondContact O-CB 3.38Å; E106-T110 PolarHBondContact O-N 3.24Å; E106-T110 PolarHBondContact O-OG1 3.18Å; D107-T110 PolarHBondContact O-N 3.04Å; I108-T110 PolarHBondContact O-N 3.03Å; T110-K113 PolarHBondContact O-N 3.09Å; T110-E114 PolarHBondContact O-N 3.06Å; T110-E114 VanDerWaalsContact O-N 3.14Å
111T93.5Very high88.6Confident5 Ų545.9 Ų45.93%0.03123%0.227CC..Hα-helixtrans-67.1-44.4178.5-470000111.9K62 L66 D107 I108 W109 K113 E114 L115 F149K62-T111 HydrophobicContact CD-CG2 3.62Å; K62-T111 WeakPolarHBondContact CD-OG1 3.18Å; K62-T111 HydrophobicContact CG-CG2 4.32Å; K62-T111 PolarHBondContact NZ-OG1 3.48Å; L66-T111 HydrophobicContact CD1-CG2 4.38Å; L66-T111 HydrophobicContact CD2-CG2 4.47Å; D107-T111 PolarHBondContact O-N 3.17Å; D107-T111 VanDerWaalsContact O-N 3.12Å; D107-T111 PolarHBondContact O-OG1 3.5Å; I108-T111 WeakPolarHBondContact O-CB 3.1Å; I108-T111 PolarHBondContact O-N 2.98Å; I108-T111 VanDerWaalsContact O-N 3.12Å; W109-T111 VanDerWaalsContact C-N 3.26Å; W109-T111 PolarHBondContact O-N 3.43Å; T111-K113 VanDerWaalsContact C-N 3.29Å; T111-K113 PolarHBondContact O-N 3.33Å; T111-E114 PolarHBondContact O-N 2.96Å; T111-L115 HydrophobicContact CG2-CD1 4.13Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.22Å; T111-F149 HydrophobicContact CG2-CD1 4.39Å; T111-F149 HydrophobicContact CG2-CE1 3.32Å; T111-F149 HydrophobicContact CG2-CZ 3.45Å; T111-F149 VanDerWaalsContact CG2-CZ 3.45Å
112I93.9Very high89.6Confident0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-56.9-44.8175.6-73.8174.1000110.9I108 W109 E114 L115 N116 F149 A153 S172 I173I108-I112 HydrophobicContact CG2-CD1 3.72Å; I108-I112 HydrophobicContact CG2-CG1 4.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 3.31Å; W109-I112 HydrophobicContact CE3-CB 4.2Å; W109-I112 HydrophobicContact CE3-CD1 4.47Å; W109-I112 HydrophobicContact CE3-CG2 4.03Å; W109-I112 HydrophobicContact CZ3-CG2 3.9Å; W109-I112 PolarHBondContact O-N 3.3Å; I112-E114 PolarHBondContact O-N 3.39Å; I112-L115 PolarHBondContact O-N 3.04Å; I112-N116 WeakPolarHBondContact O-CB 3.48Å; I112-N116 PolarHBondContact O-N 3Å; I112-N116 PolarHBondContact O-ND2 2.84Å; I112-F149 HydrophobicContact CG1-CB 4.12Å; I112-F149 HydrophobicContact CG1-CD1 3.77Å; I112-F149 HydrophobicContact CG1-CG 4.33Å; I112-A153 HydrophobicContact CD1-CB 4.07Å; I112-S172 WeakPolarHBondContact CG2-O 3.49Å; I112-I173 HydrophobicContact CB-CD1 4.44Å; I112-I173 HydrophobicContact CD1-CD1 4.24Å; I112-I173 HydrophobicContact CG1-CD1 3.95Å; I112-I173 HydrophobicContact CG2-CD1 3.84Å
113K92.6Very high90.7Very high110 Ų11043.7 Ų43.748%0.47821%0.21SC..Hα-helixtrans-59.7-44.9176.9-77.7174.9168.5172.70112.1W109 T110 T111 R117W109-K113 HydrophobicContact CD2-CG 4.49Å; W109-K113 VanDerWaalsContact CE2-CE 3.42Å; W109-K113 HydrophobicContact CZ2-CG 4.4Å; W109-K113 WeakPolarHBondContact O-CG 3.41Å; W109-K113 PolarHBondContact O-N 2.91Å; T110-K113 PolarHBondContact O-N 3.09Å; T111-K113 VanDerWaalsContact C-N 3.29Å; T111-K113 PolarHBondContact O-N 3.33Å; K113-R117 VanDerWaalsContact O-CB 3.29Å; K113-R117 WeakPolarHBondContact O-CB 3.49Å; K113-R117 PolarHBondContact O-N 3.48Å
114E93.3Very high91.4Very high68 Ų6840.7 Ų40.732%0.31820%0.196SC..Hα-helixtrans-64.4-46.5179.5-163.557.9-146.400111L66 T110 T111 I112 N116 R117 S118L66-E114 HydrophobicContact CD1-CB 4.41Å; L66-E114 HydrophobicContact CD1-CG 4.25Å; T110-E114 PolarHBondContact O-N 3.06Å; T110-E114 VanDerWaalsContact O-N 3.14Å; T111-E114 PolarHBondContact O-N 2.96Å; I112-E114 PolarHBondContact O-N 3.39Å; E114-N116 PolarHBondContact O-N 3.39Å; E114-R117 WeakPolarHBondContact O-CB 3.36Å; E114-R117 PolarHBondContact O-N 3.39Å; E114-S118 PolarHBondContact O-N 3.13Å; E114-S118 PolarHBondContact O-OG 3.04Å; E114-S118 VanDerWaalsContact O-OG 3.1Å
115L94.8Very high91.9Very high0 Ų045.3 Ų45.30%022%0.217CC..Iπ-helixtrans-59.2-45.7177.7-70.2168.9000112.7L66 L87 T111 I112 R117 V119 F120 F149L66-L115 HydrophobicContact CD2-CD2 3.68Å; L66-L115 HydrophobicContact CD2-CG 4.12Å; L87-L115 HydrophobicContact CD2-CD2 4.44Å; T111-L115 HydrophobicContact CG2-CD1 4.13Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.22Å; I112-L115 PolarHBondContact O-N 3.04Å; L115-R117 PolarHBondContact O-N 2.84Å; L115-V119 HydrophobicContact CD2-CB 3.87Å; L115-V119 HydrophobicContact CD2-CG1 4.13Å; L115-V119 HydrophobicContact CD2-CG2 3.9Å; L115-V119 PolarHBondContact O-N 3.43Å; L115-V119 VanDerWaalsContact O-N 3.11Å; L115-F120 HydrophobicContact CB-CD2 3.83Å; L115-F120 HydrophobicContact CB-CE2 3.64Å; L115-F120 HydrophobicContact CB-CZ 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.45Å; L115-F120 WeakPolarHBondContact O-CD2 3.44Å; L115-F120 PolarHBondContact O-N 3.04Å; L115-F149 HydrophobicContact CD1-CD1 3.93Å; L115-F149 HydrophobicContact CD1-CD2 3.26Å; L115-F149 HydrophobicContact CD1-CE1 3.84Å; L115-F149 HydrophobicContact CD1-CE2 3.18Å; L115-F149 HydrophobicContact CD1-CG 3.64Å; L115-F149 HydrophobicContact CD1-CZ 3.46Å; L115-F149 VanDerWaalsContact CD1-CZ 3.46Å
116N93.7Very high92.3Very high33 Ų3347.4 Ų47.418%0.17623%0.226CC..Iπ-helixtrans-64-30.4176.2-74.6-32.5000112.6I112 E114 F120 P121 S172 V174I112-N116 WeakPolarHBondContact O-CB 3.48Å; I112-N116 PolarHBondContact O-N 3Å; I112-N116 PolarHBondContact O-ND2 2.84Å; E114-N116 PolarHBondContact O-N 3.39Å; N116-F120 WeakPolarHBondContact OD1-CD2 3.41Å; N116-P121 VanDerWaalsContact O-CD 3.3Å; N116-P121 WeakPolarHBondContact O-CD 3.37Å; N116-P121 VanDerWaalsContact O-CG 3.25Å; N116-P121 WeakPolarHBondContact O-CG 3.44Å; N116-S172 PolarHBondContact ND2-O 3.48Å; N116-V174 PolarHBondContact OD1-N 2.97Å
117R92.5Very high92.7Very high199 Ų19941.7 Ų41.775%0.75120%0.199SC*.Iπ-helixtrans-79.7-47.7-177.1-177.6-175.6178.7-176.3-0.9112.5K113 E114 L115K113-R117 VanDerWaalsContact O-CB 3.29Å; K113-R117 WeakPolarHBondContact O-CB 3.49Å; K113-R117 PolarHBondContact O-N 3.48Å; E114-R117 WeakPolarHBondContact O-CB 3.36Å; E114-R117 PolarHBondContact O-N 3.39Å; L115-R117 PolarHBondContact O-N 2.84Å
118S90.8Very high93Very high29 Ų2945 Ų4520%0.20321%0.213CC..Iπ-helixtrans-115.6-36.5-166.864.70000114E70 E114E70-S118 WeakPolarHBondContact OE1-CB 3.22Å; E70-S118 PolarHBondContact OE1-OG 3.31Å; E114-S118 PolarHBondContact O-N 3.13Å; E114-S118 PolarHBondContact O-OG 3.04Å; E114-S118 VanDerWaalsContact O-OG 3.1Å
119V93.3Very high93.1Very high5 Ų551.4 Ų51.43%0.0324%0.243CC..Iπ-helixtrans-93-56.8-169.6-1780000112.2E70 L115 K122 L123 L145E70-V119 HydrophobicContact CG-CG2 4Å; L115-V119 HydrophobicContact CD2-CB 3.87Å; L115-V119 HydrophobicContact CD2-CG1 4.13Å; L115-V119 HydrophobicContact CD2-CG2 3.9Å; L115-V119 PolarHBondContact O-N 3.43Å; L115-V119 VanDerWaalsContact O-N 3.11Å; V119-K122 PolarHBondContact O-N 2.8Å; V119-L123 HydrophobicContact CG1-CD1 3.69Å; V119-L123 HydrophobicContact CG1-CG 4.09Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 3Å; V119-L145 HydrophobicContact CG1-CD1 4.03Å
120F93.8Very high93.2Very high4 Ų451.5 Ų51.52%0.01825%0.245CC..Hα-helixtrans-58.8-46.5-175.7-75-53.6000113.4L115 N116 K122 L123 C124 Y142 L145 A146 I173L115-F120 HydrophobicContact CB-CD2 3.83Å; L115-F120 HydrophobicContact CB-CE2 3.64Å; L115-F120 HydrophobicContact CB-CZ 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.45Å; L115-F120 WeakPolarHBondContact O-CD2 3.44Å; L115-F120 PolarHBondContact O-N 3.04Å; N116-F120 WeakPolarHBondContact OD1-CD2 3.41Å; F120-K122 VanDerWaalsContact C-N 3.28Å; F120-K122 PolarHBondContact O-N 3.33Å; F120-L123 PolarHBondContact O-N 3.29Å; F120-C124 WeakPolarHBondContact O-CB 3.46Å; F120-C124 PolarHBondContact O-N 3.35Å; F120-Y142 HydrophobicContact CB-CE2 4.38Å; F120-Y142 AromaticContact CD1-CD2 3.86Å; F120-Y142 HydrophobicContact CD1-CD2 3.86Å; F120-Y142 AromaticContact CD1-CE2 3.69Å; F120-Y142 HydrophobicContact CD1-CE2 3.69Å; F120-Y142 HydrophobicContact CE1-CD2 4.5Å; F120-Y142 HydrophobicContact CG-CE2 4.46Å; F120-L145 HydrophobicContact CE1-CB 3.68Å; F120-L145 HydrophobicContact CZ-CB 3.85Å; F120-A146 HydrophobicContact CE1-CB 4.15Å; F120-A146 HydrophobicContact CZ-CB 4.36Å; F120-I173 HydrophobicContact CD2-CG2 4.38Å; F120-I173 HydrophobicContact CE2-CD1 4.45Å; F120-I173 HydrophobicContact CE2-CG2 3.71Å; F120-I173 HydrophobicContact CZ-CG2 3.85Å
121P92.8Very high93.2Very high68 Ų6857.8 Ų57.844%0.44227%0.266SS..Hα-helixtrans-58.9-41.5178.7-24.935.2000112.4N116 C124 E125N116-P121 VanDerWaalsContact O-CD 3.3Å; N116-P121 WeakPolarHBondContact O-CD 3.37Å; N116-P121 VanDerWaalsContact O-CG 3.25Å; N116-P121 WeakPolarHBondContact O-CG 3.44Å; P121-C124 WeakPolarHBondContact O-CB 3.29Å; P121-E125 WeakPolarHBondContact O-CG 3.31Å; P121-E125 PolarHBondContact O-N 3.22Å; P121-E125 VanDerWaalsContact O-N 3.13Å
122K92.8Very high93Very high69 Ų6959.9 Ų59.930%0.328%0.278SS..Hα-helixtrans-68.3-46.4-178.7-172.5179.7-174.9-174.10112.4E70 S73 E74 V119 F120 K126E70-K122 PolarHBondContact O-NZ 3.44Å; S73-K122 WeakPolarHBondContact OG-CE 3.39Å; S73-K122 PolarHBondContact OG-NZ 3.06Å; E74-K122 WeakPolarHBondContact OE1-CE 3.37Å; E74-K122 IonicContact OE1-NZ 2.66Å; E74-K122 PolarHBondContact OE1-NZ 3.04Å; V119-K122 PolarHBondContact O-N 2.8Å; F120-K122 VanDerWaalsContact C-N 3.28Å; F120-K122 PolarHBondContact O-N 3.33Å; K122-K126 WeakPolarHBondContact O-CG 3.27Å; K122-K126 PolarHBondContact O-N 3.39Å
123L94.3Very high92.8Very high1 Ų165.7 Ų65.71%0.00531%0.309CS..Hα-helixtrans-66.3-40.1176.8-66.6-174.4000111.4L80 V119 F120 E125 K126 V127 L138 Y142 L145L80-L123 HydrophobicContact CD1-CD2 4.28Å; L80-L123 HydrophobicContact CD2-CD2 3.74Å; V119-L123 HydrophobicContact CG1-CD1 3.69Å; V119-L123 HydrophobicContact CG1-CG 4.09Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 3Å; F120-L123 PolarHBondContact O-N 3.29Å; L123-E125 PolarHBondContact O-N 3.45Å; L123-K126 PolarHBondContact O-N 2.8Å; L123-V127 WeakPolarHBondContact O-CG2 3.02Å; L123-V127 PolarHBondContact O-N 3.42Å; L123-L138 HydrophobicContact CD2-CD1 3.77Å; L123-Y142 HydrophobicContact CB-CD2 3.83Å; L123-L145 HydrophobicContact CD1-CD1 4.02Å
124C94Very high92.8Very high12 Ų1264.1 Ų64.18%0.08131%0.306CS..Hα-helixtrans-54.4-53.5176.5168.80000111.4F120 P121 K126 V127 K128 Y142 I179F120-C124 WeakPolarHBondContact O-CB 3.46Å; F120-C124 PolarHBondContact O-N 3.35Å; P121-C124 WeakPolarHBondContact O-CB 3.29Å; C124-K126 VanDerWaalsContact C-N 3.33Å; C124-K126 PolarHBondContact O-N 2.91Å; C124-V127 PolarHBondContact O-N 3.3Å; C124-K128 WeakPolarHBondContact O-CG 3.43Å; C124-K128 PolarHBondContact O-N 3.35Å; C124-K128 VanDerWaalsContact O-N 3.09Å; C124-Y142 HydrophobicContact CB-CE2 4.04Å; C124-I179 VanDerWaalsContact CA-CD1 3.47Å; C124-I179 HydrophobicContact CB-CD1 3.6Å; C124-I179 WeakPolarHBondContact SG-CD1 3.4Å
125E93.5Very high92.8Very high96 Ų9661.8 Ų61.845%0.44930%0.297SS..Hα-helixtrans-60.9-41.1178.4-72.2-57.5116.100112.4P121 L123 V127 K128 Q129P121-E125 WeakPolarHBondContact O-CG 3.31Å; P121-E125 PolarHBondContact O-N 3.22Å; P121-E125 VanDerWaalsContact O-N 3.13Å; L123-E125 PolarHBondContact O-N 3.45Å; E125-V127 PolarHBondContact O-N 3.43Å; E125-K128 PolarHBondContact O-N 3.44Å; E125-K128 IonicContact OE1-NZ 2.73Å; E125-Q129 VanDerWaalsContact O-CG 3.25Å; E125-Q129 WeakPolarHBondContact O-CG 3.27Å; E125-Q129 PolarHBondContact O-N 3.42Å; E125-Q129 VanDerWaalsContact O-N 3.16Å
126K94.2Very high92.9Very high45 Ų4562 Ų6220%0.19630%0.298CS..Hα-helixtrans-65.6-39.3177.7-73.8-175.9160.6-178.10113S73 E74 K122 L123 C124 Q129 Q130 L138S73-K126 PolarHBondContact O-NZ 3.22Å; E74-K126 WeakPolarHBondContact OE1-CE 3.36Å; E74-K126 IonicContact OE1-NZ 3.37Å; E74-K126 PolarHBondContact OE1-NZ 3.11Å; E74-K126 IonicContact OE2-NZ 3.6Å; E74-K126 PolarHBondContact OE2-NZ 3.34Å; K122-K126 WeakPolarHBondContact O-CG 3.27Å; K122-K126 PolarHBondContact O-N 3.39Å; L123-K126 PolarHBondContact O-N 2.8Å; C124-K126 VanDerWaalsContact C-N 3.33Å; C124-K126 PolarHBondContact O-N 2.91Å; K126-Q129 PolarHBondContact O-N 2.65Å; K126-Q130 WeakPolarHBondContact O-CG 3.33Å; K126-Q130 PolarHBondContact O-N 3.29Å; K126-L138 HydrophobicContact CB-CD2 3.72Å
127V94.3Very high93Very high0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-63-45.5176.11730000110.2L123 C124 E125 Q129 Q130 L138 I179 H182L123-V127 WeakPolarHBondContact O-CG2 3.02Å; L123-V127 PolarHBondContact O-N 3.42Å; C124-V127 PolarHBondContact O-N 3.3Å; E125-V127 PolarHBondContact O-N 3.43Å; V127-Q129 PolarHBondContact O-N 2.63Å; V127-Q130 WeakPolarHBondContact O-CB 3.39Å; V127-Q130 PolarHBondContact O-N 3.45Å; V127-L138 HydrophobicContact CG2-CD2 3.99Å; V127-L138 HydrophobicContact CG2-CG 3.83Å; V127-I179 HydrophobicContact CG1-CG2 3.97Å; V127-H182 HydrophobicContact CG1-CB 4.42Å
128K93.5Very high93.2Very high85 Ų8551.3 Ų51.337%0.3726%0.256SS..Hα-helixtrans-60.3-27.9177-69.9174.6-178.9171.10113.7C124 E125 Q130 D176 I179C124-K128 WeakPolarHBondContact O-CG 3.43Å; C124-K128 PolarHBondContact O-N 3.35Å; C124-K128 VanDerWaalsContact O-N 3.09Å; E125-K128 PolarHBondContact O-N 3.44Å; E125-K128 IonicContact OE1-NZ 2.73Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-D176 WeakPolarHBondContact CE-OD2 2.94Å; K128-D176 IonicContact NZ-OD2 3.52Å; K128-D176 PolarHBondContact NZ-OD2 2.97Å; K128-I179 HydrophobicContact CG-CG1 4.46Å
129Q93.8Very high93.4Very high135 Ų13550 Ų5063%0.63125%0.246SC*.THydrogen-bonded Turntrans-81.2-10.4177.9-69.3168.313.300113.4E125 K126 V127 K131E125-Q129 VanDerWaalsContact O-CG 3.25Å; E125-Q129 WeakPolarHBondContact O-CG 3.27Å; E125-Q129 PolarHBondContact O-N 3.42Å; E125-Q129 VanDerWaalsContact O-N 3.16Å; K126-Q129 PolarHBondContact O-N 2.65Å; V127-Q129 PolarHBondContact O-N 2.63Å; Q129-K131 PolarHBondContact O-N 3Å
130Q92.1Very high93.5Very high38 Ų3849.7 Ų49.718%0.17825%0.245CC..  trans-69.7126.7-179.9-65.5-174.1-61.900111K126 V127 K128 S136 L138 S139 T184K126-Q130 WeakPolarHBondContact O-CG 3.33Å; K126-Q130 PolarHBondContact O-N 3.29Å; V127-Q130 WeakPolarHBondContact O-CB 3.39Å; V127-Q130 PolarHBondContact O-N 3.45Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-S136 PolarHBondContact NE2-OG 3.25Å; Q130-S136 PolarHBondContact OE1-OG 3.39Å; Q130-L138 HydrophobicContact CG-CD2 4.16Å; Q130-S139 PolarHBondContact OE1-OG 3.2Å; Q130-T184 HydrophobicContact CB-CG2 4.19Å; Q130-T184 PolarHBondContact OE1-OG1 3.13Å; Q130-T184 VanDerWaalsContact OE1-OG1 3.07Å
131K89.7Confident93.7Very high212 Ų21249.5 Ų49.592%0.92224%0.244SC*.  trans-95.63.3179.4-61.5-177.2179.8178.80114.1Q129Q129-K131 PolarHBondContact O-N 3Å
132T88.9Confident93.8Very high49 Ų4946.4 Ų46.430%0.30122%0.223SC..  trans-89.9149.8-179-177.20000111L134 T184T132-L134 PolarHBondContact OG1-N 3.22Å; T132-T184 HydrophobicContact CG2-CG2 3.55Å; T132-T184 WeakPolarHBondContact O-CG2 3.24Å
133N89.9Confident94Very high121 Ų12143.1 Ų43.165%0.64721%0.209SC*.  trans-98.86.3172.666.3-18.9000113P183N133-P183 HydrophobicContact CB-CB 4.19Å
134L92.7Very high94Very high78 Ų7843.1 Ų43.141%0.40821%0.209SC..SBendtrans-97.8143.8-178.5-58.2176.3000111V29 T132 S136 T184V29-L134 HydrophobicContact CG1-CB 3.58Å; V29-L134 HydrophobicContact CG1-CD1 3.75Å; V29-L134 HydrophobicContact CG1-CG 4.29Å; T132-L134 PolarHBondContact OG1-N 3.22Å; L134-S136 PolarHBondContact O-N 3.01Å; L134-T184 WeakPolarHBondContact O-CA 3.42Å; L134-T184 WeakPolarHBondContact O-CB 3.35Å; L134-T184 WeakPolarHBondContact O-CG2 3.49Å
135P93.9Very high94.1Very high19 Ų1942.5 Ų42.512%0.12321%0.205CC..  trans-56.9137.3177.1-24.434.4000112.2I30 T184 P186I30-P135 HydrophobicContact CB-CB 4.18Å; I30-P135 HydrophobicContact CD1-CB 4.24Å; I30-P135 PolarHBondContact N-O 3.4Å; P135-T184 CarbonylContact C-O 3.56Å; P135-T184 WeakPolarHBondContact CA-O 3.49Å; P135-P186 HydrophobicContact CB-CG 4.31Å
136S95.7Very high94.2Very high4 Ų438 Ų383%0.02818%0.184CC..BIsolated β-bridgetrans-126.6152.2-173.784.30000113.5D28 I30 Q130 L134 L138 S139 W140 T184D28-S136 WeakPolarHBondContact O-CA 3.29Å; I30-S136 WeakPolarHBondContact CD1-O 3.41Å; Q130-S136 PolarHBondContact NE2-OG 3.25Å; Q130-S136 PolarHBondContact OE1-OG 3.39Å; L134-S136 PolarHBondContact O-N 3.01Å; S136-L138 PolarHBondContact O-N 2.9Å; S136-S139 PolarHBondContact O-N 3.27Å; S136-S139 PolarHBondContact OG-N 2.88Å; S136-S139 PolarHBondContact OG-OG 3.22Å; S136-W140 WeakPolarHBondContact O-CB 3.37Å; S136-W140 PolarHBondContact O-N 3.5Å; S136-T184 PolarHBondContact N-O 3.05Å
137L96.2Very high94.1Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-63.1-30174.9-74.2-178.3000113.3L26 D27 D28 I30 N77 P78 C81 S141 A219L26-L137 HydrophobicContact CB-CD1 3.95Å; L26-L137 HydrophobicContact CD2-CD1 4.35Å; L26-L137 HydrophobicContact CD2-CD2 4.05Å; D27-L137 WeakPolarHBondContact O-CD1 3.5Å; D27-L137 WeakPolarHBondContact O-CG 3.19Å; D28-L137 PolarHBondContact O-N 3.48Å; I30-L137 HydrophobicContact CD1-CD2 4.41Å; I30-L137 HydrophobicContact CG1-CD2 4.14Å; I30-L137 HydrophobicContact CG1-CG 4.41Å; N77-L137 HydrophobicContact CB-CB 3.84Å; P78-L137 HydrophobicContact CG-CD1 4.09Å; C81-L137 HydrophobicContact CB-CD1 4.39Å; C81-L137 HydrophobicContact CB-CD2 4.28Å; L137-S141 WeakPolarHBondContact O-CB 3.41Å; L137-S141 PolarHBondContact O-N 2.88Å; L137-S141 PolarHBondContact O-OG 2.87Å; L137-A219 HydrophobicContact CD2-CB 4.16Å; L137-A219 WeakPolarHBondContact CD2-O 3.4Å
138L96.1Very high94Very high8 Ų835.9 Ų35.94%0.04218%0.175CC..Hα-helixtrans-62.7-51.5175.6177.566000110.5L80 L123 K126 V127 Q130 S136 W140 S141 Y142L80-L138 HydrophobicContact CD2-CD1 3.66Å; L123-L138 HydrophobicContact CD2-CD1 3.77Å; K126-L138 HydrophobicContact CB-CD2 3.72Å; V127-L138 HydrophobicContact CG2-CD2 3.99Å; V127-L138 HydrophobicContact CG2-CG 3.83Å; Q130-L138 HydrophobicContact CG-CD2 4.16Å; S136-L138 PolarHBondContact O-N 2.9Å; L138-W140 VanDerWaalsContact C-N 3.34Å; L138-S141 PolarHBondContact O-N 3.38Å; L138-Y142 PolarHBondContact O-N 3.44Å; L138-Y142 VanDerWaalsContact O-N 3.07Å
139S95.7Very high94Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-67.4-36.7179.2-470000111.9Q130 S136 C143 T184Q130-S139 PolarHBondContact OE1-OG 3.2Å; S136-S139 PolarHBondContact O-N 3.27Å; S136-S139 PolarHBondContact OG-N 2.88Å; S136-S139 PolarHBondContact OG-OG 3.22Å; S139-C143 WeakPolarHBondContact O-CB 3.29Å; S139-C143 PolarHBondContact O-N 3.2Å; S139-C143 PolarHBondContact O-SG 3.44Å; S139-T184 VanDerWaalsContact CB-O 3.27Å; S139-T184 WeakPolarHBondContact CB-O 3.18Å; S139-T184 WeakPolarHBondContact OG-CB 3.43Å; S139-T184 PolarHBondContact OG-OG1 3.41Å
140W96.8Very high93.8Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-57.4-49.6170.2-178.693.5000110.8I30 C81 T84 L85 S136 L138 Y142 C143 M144 P186 L189 I215 F216 S218 A219I30-W140 HydrophobicContact CD1-CB 4.06Å; C81-W140 HydrophobicContact CB-CE3 4.47Å; C81-W140 HydrophobicContact CB-CZ3 4.32Å; C81-W140 WeakPolarHBondContact SG-CZ3 3.46Å; T84-W140 HydrophobicContact CG2-CZ3 3.94Å; L85-W140 HydrophobicContact CB-CH2 4.5Å; S136-W140 WeakPolarHBondContact O-CB 3.37Å; S136-W140 PolarHBondContact O-N 3.5Å; L138-W140 VanDerWaalsContact C-N 3.34Å; W140-Y142 PolarHBondContact O-N 2.85Å; W140-C143 PolarHBondContact O-N 2.55Å; W140-M144 HydrophobicContact CD2-CG 3.47Å; W140-M144 VanDerWaalsContact CD2-CG 3.47Å; W140-M144 HydrophobicContact CE3-CB 4.43Å; W140-M144 HydrophobicContact CE3-CG 3.77Å; W140-M144 HydrophobicContact CG-CG 4.11Å; W140-M144 HydrophobicContact CH2-CB 4.4Å; W140-M144 HydrophobicContact CH2-CE 4.07Å; W140-M144 HydrophobicContact CH2-CG 3.68Å; W140-M144 HydrophobicContact CH2-SD 4.34Å; W140-M144 HydrophobicContact CZ2-CB 4.5Å; W140-M144 HydrophobicContact CZ2-CE 3.75Å; W140-M144 HydrophobicContact CZ2-CG 3.37Å; W140-M144 HydrophobicContact CZ2-SD 3.65Å; W140-M144 HydrophobicContact CZ3-CB 4.35Å; W140-M144 HydrophobicContact CZ3-CG 3.86Å; W140-M144 VanDerWaalsContact O-CB 3.31Å; W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 WeakPolarHBondContact O-CG 3.29Å; W140-M144 PolarHBondContact O-N 3.3Å; W140-P186 HydrophobicContact CB-CG 4.09Å; W140-L189 HydrophobicContact CB-CD1 4.33Å; W140-L189 HydrophobicContact CG-CD1 3.93Å; W140-I215 PolarHBondContact NE1-O 3.4Å; W140-F216 HydrophobicContact CZ2-CD1 4.34Å; W140-S218 VanDerWaalsContact CD1-OG 3.24Å; W140-S218 PolarHBondContact NE1-OG 2.85Å; W140-A219 HydrophobicContact CD2-CB 3.91Å; W140-A219 HydrophobicContact CE3-CB 4.42Å; W140-A219 HydrophobicContact CG-CB 4.36Å; W140-A219 HydrophobicContact CH2-CB 4.3Å; W140-A219 HydrophobicContact CZ2-CB 3.74Å; W140-A219 VanDerWaalsContact NE1-N 3.19Å
141S96.9Very high93.6Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-61.1-45.7-177.5-59.50000111.9L137 L138 M144 L145L137-S141 WeakPolarHBondContact O-CB 3.41Å; L137-S141 PolarHBondContact O-N 2.88Å; L137-S141 PolarHBondContact O-OG 2.87Å; L138-S141 PolarHBondContact O-N 3.38Å; S141-M144 PolarHBondContact O-N 2.98Å; S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.33Å; S141-L145 PolarHBondContact O-N 3.44Å; S141-L145 VanDerWaalsContact O-N 3.11Å
142Y95.6Very high93.6Very high2 Ų214.5 Ų14.51%0.0088%0.079CC..Hα-helixtrans-56.8-51.7174.1175.9-92.8000111.9F120 L123 C124 L138 W140 M144 L145 A146 I175 D176 I179F120-Y142 HydrophobicContact CB-CE2 4.38Å; F120-Y142 AromaticContact CD1-CD2 3.86Å; F120-Y142 HydrophobicContact CD1-CD2 3.86Å; F120-Y142 AromaticContact CD1-CE2 3.69Å; F120-Y142 HydrophobicContact CD1-CE2 3.69Å; F120-Y142 HydrophobicContact CE1-CD2 4.5Å; F120-Y142 HydrophobicContact CG-CE2 4.46Å; L123-Y142 HydrophobicContact CB-CD2 3.83Å; C124-Y142 HydrophobicContact CB-CE2 4.04Å; L138-Y142 PolarHBondContact O-N 3.44Å; L138-Y142 VanDerWaalsContact O-N 3.07Å; W140-Y142 PolarHBondContact O-N 2.85Å; Y142-M144 PolarHBondContact O-N 3.19Å; Y142-L145 PolarHBondContact O-N 3.46Å; Y142-A146 WeakPolarHBondContact O-CB 3.47Å; Y142-A146 PolarHBondContact O-N 3.18Å; Y142-I175 HydrophobicContact CE1-CG2 4.41Å; Y142-D176 PolarHBondContact OH-N 2.94Å; Y142-I179 HydrophobicContact CD1-CG2 3.93Å; Y142-I179 HydrophobicContact CE1-CB 4.25Å; Y142-I179 HydrophobicContact CE1-CD1 4.03Å; Y142-I179 HydrophobicContact CE1-CG2 3.75Å; Y142-I179 HydrophobicContact CE2-CD1 4.24Å
143C95.4Very high93.5Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-67.4-35.3-176.3-69.50000112.7S139 W140 A146 F147 L189 L193S139-C143 WeakPolarHBondContact O-CB 3.29Å; S139-C143 PolarHBondContact O-N 3.2Å; S139-C143 PolarHBondContact O-SG 3.44Å; W140-C143 PolarHBondContact O-N 2.55Å; C143-A146 PolarHBondContact O-N 2.87Å; C143-F147 WeakPolarHBondContact O-CB 3.2Å; C143-F147 PolarHBondContact O-N 2.87Å; C143-L189 HydrophobicContact CB-CB 3.94Å; C143-L189 HydrophobicContact CB-CD1 3.79Å; C143-L189 HydrophobicContact CB-CD2 4.4Å; C143-L189 HydrophobicContact CB-CG 4.27Å; C143-L193 HydrophobicContact CB-CD1 3.6Å
144M96Very high93.1Very high1 Ų17.9 Ų7.91%0.0054%0.041CC..Hα-helixtrans-66-44.4176.9-78.3-64.8-6000112.9T84 W140 S141 Y142 A146 T148 L189 I215 F216T84-M144 HydrophobicContact CG2-CB 3.84Å; W140-M144 HydrophobicContact CD2-CG 3.47Å; W140-M144 VanDerWaalsContact CD2-CG 3.47Å; W140-M144 HydrophobicContact CE3-CB 4.43Å; W140-M144 HydrophobicContact CE3-CG 3.77Å; W140-M144 HydrophobicContact CG-CG 4.11Å; W140-M144 HydrophobicContact CH2-CB 4.4Å; W140-M144 HydrophobicContact CH2-CE 4.07Å; W140-M144 HydrophobicContact CH2-CG 3.68Å; W140-M144 HydrophobicContact CH2-SD 4.34Å; W140-M144 HydrophobicContact CZ2-CB 4.5Å; W140-M144 HydrophobicContact CZ2-CE 3.75Å; W140-M144 HydrophobicContact CZ2-CG 3.37Å; W140-M144 HydrophobicContact CZ2-SD 3.65Å; W140-M144 HydrophobicContact CZ3-CB 4.35Å; W140-M144 HydrophobicContact CZ3-CG 3.86Å; W140-M144 VanDerWaalsContact O-CB 3.31Å; W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 WeakPolarHBondContact O-CG 3.29Å; W140-M144 PolarHBondContact O-N 3.3Å; S141-M144 PolarHBondContact O-N 2.98Å; Y142-M144 PolarHBondContact O-N 3.19Å; M144-A146 VanDerWaalsContact C-N 3.34Å; M144-T148 VanDerWaalsContact O-CB 3.32Å; M144-T148 WeakPolarHBondContact O-CB 3.21Å; M144-T148 PolarHBondContact O-N 2.62Å; M144-T148 PolarHBondContact O-OG1 3.1Å; M144-L189 HydrophobicContact CG-CD1 4.1Å; M144-L189 HydrophobicContact CG-CD2 4.4Å; M144-L189 HydrophobicContact SD-CD1 4.28Å; M144-L189 HydrophobicContact SD-CD2 3.77Å; M144-I215 HydrophobicContact CE-CG2 3.55Å; M144-I215 HydrophobicContact SD-CG2 3.1Å; M144-I215 WeakPolarHBondContact SD-CG2 3.36Å; M144-F216 HydrophobicContact CE-CD1 3.8Å; M144-F216 HydrophobicContact CE-CE1 3.65Å; M144-F216 HydrophobicContact CE-CG 4.44Å; M144-F216 HydrophobicContact CE-CZ 4.18Å
145L95.9Very high92.6Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-60.3-49.1173.9-70170.4000109.4L69 T84 L87 V119 F120 L123 S141 Y142 F147 T148 F149L69-L145 HydrophobicContact CD1-CD1 4.49Å; L69-L145 HydrophobicContact CD1-CD2 4.26Å; T84-L145 HydrophobicContact CG2-CD2 3.97Å; T84-L145 HydrophobicContact CG2-CG 3.81Å; L87-L145 HydrophobicContact CD2-CD2 3.89Å; V119-L145 HydrophobicContact CG1-CD1 4.03Å; F120-L145 HydrophobicContact CE1-CB 3.68Å; F120-L145 HydrophobicContact CZ-CB 3.85Å; L123-L145 HydrophobicContact CD1-CD1 4.02Å; S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.33Å; S141-L145 PolarHBondContact O-N 3.44Å; S141-L145 VanDerWaalsContact O-N 3.11Å; Y142-L145 PolarHBondContact O-N 3.46Å; L145-F147 PolarHBondContact O-N 3.32Å; L145-T148 PolarHBondContact O-N 3.27Å; L145-F149 HydrophobicContact CD2-CD2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 4.05Å; L145-F149 VanDerWaalsContact O-CD2 3.3Å; L145-F149 WeakPolarHBondContact O-CD2 3.3Å; L145-F149 PolarHBondContact O-N 3.48Å
146A94.1Very high92Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-56.8-50.8179.100000112.1F120 Y142 C143 M144 T148 Y150 I173 I175 L193F120-A146 HydrophobicContact CE1-CB 4.15Å; F120-A146 HydrophobicContact CZ-CB 4.36Å; Y142-A146 WeakPolarHBondContact O-CB 3.47Å; Y142-A146 PolarHBondContact O-N 3.18Å; C143-A146 PolarHBondContact O-N 2.87Å; M144-A146 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.39Å; A146-Y150 VanDerWaalsContact O-CB 3.24Å; A146-Y150 WeakPolarHBondContact O-CB 3.48Å; A146-Y150 PolarHBondContact O-N 3.43Å; A146-I173 HydrophobicContact CB-CG2 4.35Å; A146-I175 HydrophobicContact CB-CD1 3.78Å; A146-I175 HydrophobicContact CB-CG1 4.09Å; A146-L193 HydrophobicContact CB-CD2 4.15Å
147F92.6Very high91.2Very high1 Ų17.8 Ų7.80%0.0044%0.036CC..Hα-helixtrans-57.6-50.3178.3166.4-101.8000111.7C143 L145 A151 I192 L193 Q196 L212 I215 I243C143-F147 WeakPolarHBondContact O-CB 3.2Å; C143-F147 PolarHBondContact O-N 2.87Å; L145-F147 PolarHBondContact O-N 3.32Å; F147-A151 WeakPolarHBondContact O-CB 3.14Å; F147-A151 PolarHBondContact O-N 3.37Å; F147-I192 HydrophobicContact CD2-CG2 3.38Å; F147-I192 HydrophobicContact CE2-CG2 3.47Å; F147-I192 VanDerWaalsContact CE2-CG2 3.47Å; F147-I192 HydrophobicContact CG-CG2 4.36Å; F147-L193 HydrophobicContact CB-CD2 3.85Å; F147-Q196 VanDerWaalsContact CD2-OE1 3.3Å; F147-Q196 PolarHBondContact O-NE2 3.09Å; F147-L212 HydrophobicContact CE1-CD2 4.22Å; F147-I215 HydrophobicContact CD1-CD1 4.06Å; F147-I215 HydrophobicContact CD1-CG2 4.41Å; F147-I215 HydrophobicContact CD2-CD1 4.48Å; F147-I215 HydrophobicContact CE1-CD1 3.48Å; F147-I215 VanDerWaalsContact CE1-CD1 3.48Å; F147-I215 HydrophobicContact CE2-CD1 3.96Å; F147-I215 HydrophobicContact CZ-CD1 3.42Å; F147-I215 VanDerWaalsContact CZ-CD1 3.42Å; F147-I243 HydrophobicContact CZ-CD1 4.01Å; F147-I243 HydrophobicContact CZ-CG1 4.41Å
148T93.3Very high90.1Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-64.7-47.9-173.7-57.20000111.2C88 E91 L92 M144 L145 A146 A151 C152C88-T148 HydrophobicContact CB-CG2 4.18Å; C88-T148 PolarHBondContact SG-OG1 2.91Å; E91-T148 HydrophobicContact CB-CG2 4.08Å; L92-T148 HydrophobicContact CD1-CG2 4.49Å; L92-T148 HydrophobicContact CD2-CG2 4.01Å; L92-T148 HydrophobicContact CG-CG2 3.84Å; M144-T148 VanDerWaalsContact O-CB 3.32Å; M144-T148 WeakPolarHBondContact O-CB 3.21Å; M144-T148 PolarHBondContact O-N 2.62Å; M144-T148 PolarHBondContact O-OG1 3.1Å; L145-T148 PolarHBondContact O-N 3.27Å; A146-T148 PolarHBondContact O-N 3.39Å; T148-A151 WeakPolarHBondContact O-CB 3.5Å; T148-A151 PolarHBondContact O-N 3.15Å; T148-C152 PolarHBondContact O-N 2.99Å; T148-C152 PolarHBondContact O-SG 3.15Å
149F93.2Very high88.9Confident0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-76.9-26.8-176-77.9-79.1000113.1L87 E91 T111 I112 L115 L145 C152 A153 I173L87-F149 HydrophobicContact CD1-CZ 4.22Å; L87-F149 HydrophobicContact CD2-CE2 3.87Å; L87-F149 HydrophobicContact CD2-CZ 3.91Å; L87-F149 HydrophobicContact CG-CE2 4.06Å; L87-F149 HydrophobicContact CG-CZ 3.93Å; E91-F149 HydrophobicContact CG-CE1 3.64Å; E91-F149 HydrophobicContact CG-CE2 4.36Å; E91-F149 HydrophobicContact CG-CZ 3.5Å; E91-F149 VanDerWaalsContact CG-CZ 3.5Å; T111-F149 HydrophobicContact CG2-CD1 4.39Å; T111-F149 HydrophobicContact CG2-CE1 3.32Å; T111-F149 HydrophobicContact CG2-CZ 3.45Å; T111-F149 VanDerWaalsContact CG2-CZ 3.45Å; I112-F149 HydrophobicContact CG1-CB 4.12Å; I112-F149 HydrophobicContact CG1-CD1 3.77Å; I112-F149 HydrophobicContact CG1-CG 4.33Å; L115-F149 HydrophobicContact CD1-CD1 3.93Å; L115-F149 HydrophobicContact CD1-CD2 3.26Å; L115-F149 HydrophobicContact CD1-CE1 3.84Å; L115-F149 HydrophobicContact CD1-CE2 3.18Å; L115-F149 HydrophobicContact CD1-CG 3.64Å; L115-F149 HydrophobicContact CD1-CZ 3.46Å; L115-F149 VanDerWaalsContact CD1-CZ 3.46Å; L145-F149 HydrophobicContact CD2-CD2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 4.05Å; L145-F149 VanDerWaalsContact O-CD2 3.3Å; L145-F149 WeakPolarHBondContact O-CD2 3.3Å; L145-F149 PolarHBondContact O-N 3.48Å; F149-C152 PolarHBondContact O-N 3.4Å; F149-A153 WeakPolarHBondContact O-CB 3.15Å; F149-A153 PolarHBondContact O-N 3.17Å; F149-I173 HydrophobicContact CB-CD1 3.52Å; F149-I173 HydrophobicContact CB-CG1 4.36Å
150Y90.1Very high87.8Confident17 Ų1715.3 Ų15.37%0.0679%0.089CC..Hα-helixtrans-65.5-44167-165.8-71.4000110.5A146 C152 A153 E154 V169 I173 Q196A146-Y150 VanDerWaalsContact O-CB 3.24Å; A146-Y150 WeakPolarHBondContact O-CB 3.48Å; A146-Y150 PolarHBondContact O-N 3.43Å; Y150-C152 VanDerWaalsContact C-N 3.32Å; Y150-C152 PolarHBondContact O-N 3.41Å; Y150-A153 WeakPolarHBondContact O-CB 3.47Å; Y150-A153 PolarHBondContact O-N 3.36Å; Y150-E154 HydrophobicContact CD1-CG 3.67Å; Y150-E154 HydrophobicContact CE1-CG 3.58Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.33Å; Y150-E154 WeakPolarHBondContact O-CG 3.49Å; Y150-E154 PolarHBondContact O-N 3.04Å; Y150-V169 HydrophobicContact CD1-CG1 4.35Å; Y150-V169 HydrophobicContact CE1-CG1 3.85Å; Y150-V169 HydrophobicContact CE2-CG1 4.44Å; Y150-I173 HydrophobicContact CD2-CG1 4.4Å; Y150-Q196 HydrophobicContact CD1-CG 3.26Å; Y150-Q196 HydrophobicContact CE1-CG 3.42Å; Y150-Q196 VanDerWaalsContact CE1-CG 3.42Å; Y150-Q196 HydrophobicContact CG-CG 3.88Å
151A87Confident86.6Confident4 Ų416.8 Ų16.83%0.03310%0.099CC..Hα-helixtrans-61.3-39.3175.400000112.7F147 T148 E154 W155 I243F147-A151 WeakPolarHBondContact O-CB 3.14Å; F147-A151 PolarHBondContact O-N 3.37Å; T148-A151 WeakPolarHBondContact O-CB 3.5Å; T148-A151 PolarHBondContact O-N 3.15Å; A151-E154 PolarHBondContact O-N 2.93Å; A151-W155 WeakPolarHBondContact O-CB 3.2Å; A151-W155 PolarHBondContact O-N 3.02Å; A151-I243 HydrophobicContact CB-CD1 3.37Å
152C89.1Confident85.7Confident0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-63.4-40.6171.7-66.70000111.8L95 I108 T148 F149 Y150 W155 V156L95-C152 HydrophobicContact CD2-CB 4.46Å; I108-C152 HydrophobicContact CD1-CB 4.15Å; I108-C152 HydrophobicContact CG1-CB 4.39Å; I108-C152 HydrophobicContact CG2-CB 3.74Å; T148-C152 PolarHBondContact O-N 2.99Å; T148-C152 PolarHBondContact O-SG 3.15Å; F149-C152 PolarHBondContact O-N 3.4Å; Y150-C152 VanDerWaalsContact C-N 3.32Å; Y150-C152 PolarHBondContact O-N 3.41Å; C152-W155 WeakPolarHBondContact O-CB 3.35Å; C152-W155 PolarHBondContact O-N 2.98Å; C152-V156 VanDerWaalsContact O-CG2 3.3Å; C152-V156 WeakPolarHBondContact O-CG2 3.28Å; C152-V156 PolarHBondContact O-N 3.33Å
153A87.3Confident85.1Confident0 Ų024.4 Ų24.40%014%0.137CC..Hα-helixtrans-66.1-42.717700000112.5I112 F149 Y150 W155 V156 H157 F167 V169 S172I112-A153 HydrophobicContact CD1-CB 4.07Å; F149-A153 WeakPolarHBondContact O-CB 3.15Å; F149-A153 PolarHBondContact O-N 3.17Å; Y150-A153 WeakPolarHBondContact O-CB 3.47Å; Y150-A153 PolarHBondContact O-N 3.36Å; A153-W155 VanDerWaalsContact C-N 3.3Å; A153-W155 PolarHBondContact O-N 2.83Å; A153-V156 PolarHBondContact O-N 3.27Å; A153-H157 WeakPolarHBondContact O-CB 3.4Å; A153-H157 PolarHBondContact O-N 3.33Å; A153-F167 HydrophobicContact CB-CE2 4.4Å; A153-F167 HydrophobicContact CB-CZ 3.93Å; A153-F167 WeakPolarHBondContact O-CZ 3.45Å; A153-V169 HydrophobicContact CB-CG1 4.43Å; A153-S172 WeakPolarHBondContact CB-OG 3.39Å
154E82.4Confident84.4Confident32 Ų3225.9 Ų25.915%0.1515%0.147CC..Hα-helixtrans-57.2-45.9171.4-74.7178.5130.600110.8Y150 A151 H157 N158 V169 Q196Y150-E154 HydrophobicContact CD1-CG 3.67Å; Y150-E154 HydrophobicContact CE1-CG 3.58Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.33Å; Y150-E154 WeakPolarHBondContact O-CG 3.49Å; Y150-E154 PolarHBondContact O-N 3.04Å; A151-E154 PolarHBondContact O-N 2.93Å; E154-H157 WeakPolarHBondContact O-CB 3.34Å; E154-H157 PolarHBondContact O-N 3.39Å; E154-N158 WeakPolarHBondContact O-CB 3.44Å; E154-N158 PolarHBondContact O-N 3.3Å; E154-N158 PolarHBondContact O-ND2 2.88Å; E154-V169 HydrophobicContact CB-CG1 4.49Å; E154-V169 HydrophobicContact CG-CG1 3.6Å; E154-Q196 PolarHBondContact OE2-NE2 3.25Å
155W81.5Confident83.6Confident16 Ų1632.2 Ų32.26%0.06119%0.188CC..Hα-helixtrans-60.6-51.3176.3-18093.8000111.5V94 L95 E104 I108 A151 C152 A153 H157 N158 Q159V94-W155 HydrophobicContact CG1-CH2 4.23Å; V94-W155 HydrophobicContact CG1-CZ3 4.23Å; L95-W155 HydrophobicContact CD2-CB 3.6Å; L95-W155 HydrophobicContact CD2-CD2 3.82Å; L95-W155 HydrophobicContact CD2-CE3 4.28Å; L95-W155 HydrophobicContact CD2-CG 3.53Å; L95-W155 PolarHBondContact O-NE1 3.09Å; E104-W155 HydrophobicContact CB-CH2 4.11Å; E104-W155 HydrophobicContact CB-CZ3 4.11Å; I108-W155 HydrophobicContact CD1-CE3 4.08Å; I108-W155 HydrophobicContact CD1-CZ3 4.02Å; A151-W155 WeakPolarHBondContact O-CB 3.2Å; A151-W155 PolarHBondContact O-N 3.02Å; C152-W155 WeakPolarHBondContact O-CB 3.35Å; C152-W155 PolarHBondContact O-N 2.98Å; A153-W155 VanDerWaalsContact C-N 3.3Å; A153-W155 PolarHBondContact O-N 2.83Å; W155-H157 VanDerWaalsContact C-N 3.25Å; W155-H157 PolarHBondContact O-N 3.22Å; W155-N158 CarbonylContact O-C 3.52Å; W155-N158 PolarHBondContact O-N 3.28Å; W155-Q159 HydrophobicContact CD2-CG 3.74Å; W155-Q159 HydrophobicContact CE3-CG 3.95Å; W155-Q159 HydrophobicContact CG-CG 4.37Å; W155-Q159 HydrophobicContact CH2-CG 4.07Å; W155-Q159 HydrophobicContact CZ2-CG 3.85Å; W155-Q159 HydrophobicContact CZ3-CG 4.1Å; W155-Q159 VanDerWaalsContact NE1-NE2 3.14Å; W155-Q159 VanDerWaalsContact O-CG 3.28Å; W155-Q159 WeakPolarHBondContact O-CG 2.99Å; W155-Q159 PolarHBondContact O-N 3.44Å
156V81Confident82.9Confident0 Ų039.4 Ų39.40%023%0.226CC..Hα-helixtrans-53.9-44.2177.1166.20000111.1S105 I108 C152 A153 Q159 G160 C161 P163 F167S105-V156 WeakPolarHBondContact OG-CG1 3.41Å; I108-V156 HydrophobicContact CB-CG2 4.24Å; I108-V156 HydrophobicContact CD1-CG2 3.72Å; I108-V156 HydrophobicContact CG2-CG2 4.08Å; C152-V156 VanDerWaalsContact O-CG2 3.3Å; C152-V156 WeakPolarHBondContact O-CG2 3.28Å; C152-V156 PolarHBondContact O-N 3.33Å; A153-V156 PolarHBondContact O-N 3.27Å; V156-Q159 PolarHBondContact O-N 2.8Å; V156-G160 PolarHBondContact O-N 2.97Å; V156-C161 PolarHBondContact O-N 3.24Å; V156-P163 HydrophobicContact CG1-CG 4.49Å; V156-F167 HydrophobicContact CB-CE1 4.37Å; V156-F167 HydrophobicContact CB-CZ 3.98Å; V156-F167 HydrophobicContact CG1-CE1 3.87Å; V156-F167 HydrophobicContact CG1-CE2 4.26Å; V156-F167 HydrophobicContact CG1-CZ 3.71Å
157H80Confident82.3Confident82 Ų8239.8 Ų39.838%0.3823%0.228SC..Hα-helixtrans-60.6-48.2175.9-174.287.1000112.1A153 E154 W155 Q159 G160 F167 V169A153-H157 WeakPolarHBondContact O-CB 3.4Å; A153-H157 PolarHBondContact O-N 3.33Å; E154-H157 WeakPolarHBondContact O-CB 3.34Å; E154-H157 PolarHBondContact O-N 3.39Å; W155-H157 VanDerWaalsContact C-N 3.25Å; W155-H157 PolarHBondContact O-N 3.22Å; H157-Q159 VanDerWaalsContact C-N 3.26Å; H157-Q159 PolarHBondContact O-N 2.95Å; H157-G160 PolarHBondContact O-N 2.96Å; H157-F167 HydrophobicContact CB-CE1 4.14Å; H157-V169 HydrophobicContact CB-CG2 3.33Å
158N73.1Confident81.8Confident86 Ų8642 Ų4246%0.4624%0.242SC..Hα-helixtrans-69.9-20.5-179.7-68.4-17000113.1E154 W155 G160 R359E154-N158 WeakPolarHBondContact O-CB 3.44Å; E154-N158 PolarHBondContact O-N 3.3Å; E154-N158 PolarHBondContact O-ND2 2.88Å; W155-N158 CarbonylContact O-C 3.52Å; W155-N158 PolarHBondContact O-N 3.28Å; N158-G160 VanDerWaalsContact C-N 3.3Å; N158-R359 PolarHBondContact O-NH1 2.78Å
159Q70.2Confident81.2Confident22 Ų2242.7 Ų42.710%0.10325%0.247CC..Hα-helixtrans-76.2-17.9169.3-61.7-48-45.100112.6W155 V156 H157 C161W155-Q159 HydrophobicContact CD2-CG 3.74Å; W155-Q159 HydrophobicContact CE3-CG 3.95Å; W155-Q159 HydrophobicContact CG-CG 4.37Å; W155-Q159 HydrophobicContact CH2-CG 4.07Å; W155-Q159 HydrophobicContact CZ2-CG 3.85Å; W155-Q159 HydrophobicContact CZ3-CG 4.1Å; W155-Q159 VanDerWaalsContact NE1-NE2 3.14Å; W155-Q159 VanDerWaalsContact O-CG 3.28Å; W155-Q159 WeakPolarHBondContact O-CG 2.99Å; W155-Q159 PolarHBondContact O-N 3.44Å; V156-Q159 PolarHBondContact O-N 2.8Å; H157-Q159 VanDerWaalsContact C-N 3.26Å; H157-Q159 PolarHBondContact O-N 2.95Å; Q159-C161 HydrophobicContact CB-CB 4.27Å; Q159-C161 PolarHBondContact O-N 2.94Å
160G71.9Confident80.5Confident59 Ų5950 Ų5061%0.60828%0.281SS*.THydrogen-bonded Turntrans74.56.7-172.600000113.7V156 H157 N158 K162V156-G160 PolarHBondContact O-N 2.97Å; H157-G160 PolarHBondContact O-N 2.96Å; N158-G160 VanDerWaalsContact C-N 3.3Å; G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 2.73Å
161C72.4Confident80Confident31 Ų3155.2 Ų55.221%0.20931%0.31CS..  trans-91.256-176.1-67.10000111.4S101 S105 V156 Q159 P163S101-C161 PolarHBondContact OG-SG 3.25Å; S105-C161 WeakPolarHBondContact CB-O 3.31Å; S105-C161 WeakPolarHBondContact OG-CB 3.27Å; S105-C161 PolarHBondContact OG-O 3.12Å; V156-C161 PolarHBondContact O-N 3.24Å; Q159-C161 HydrophobicContact CB-CB 4.27Å; Q159-C161 PolarHBondContact O-N 2.94Å; C161-P163 VanDerWaalsContact O-CD 3.26Å; C161-P163 WeakPolarHBondContact O-CD 3.49Å; C161-P163 VanDerWaalsContact O-N 3.15Å
162K78.7Confident79.9Confident119 Ų11955 Ų5552%0.51731%0.309SS..  trans-62.8118.1-177.7-65.2-175.2-176.41800110.2G160 S164 F167G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 2.73Å; K162-S164 PolarHBondContact O-N 3.21Å; K162-F167 HydrophobicContact CG-CD1 4.23Å
163P81.2Confident79.8Confident43 Ų4355.4 Ų55.428%0.27931%0.311SS..SBendtrans-75.5-11.5-176.928.4-31.6000112.6W109 V156 C161 F167W109-P163 HydrophobicContact CB-CB 3.93Å; W109-P163 HydrophobicContact CB-CG 3.48Å; W109-P163 VanDerWaalsContact CB-CG 3.48Å; W109-P163 HydrophobicContact CD2-CG 4.26Å; W109-P163 HydrophobicContact CG-CB 4.08Å; W109-P163 HydrophobicContact CG-CG 3.57Å; V156-P163 HydrophobicContact CG1-CG 4.49Å; C161-P163 VanDerWaalsContact O-CD 3.26Å; C161-P163 WeakPolarHBondContact O-CD 3.49Å; C161-P163 VanDerWaalsContact O-N 3.15Å; P163-F167 HydrophobicContact CG-CB 4.48Å; P163-F167 HydrophobicContact CG-CD2 3.89Å; P163-F167 HydrophobicContact CG-CE2 4.41Å; P163-F167 HydrophobicContact CG-CG 4.25Å
164S81.4Confident79.6Confident31 Ų3160.3 Ų60.322%0.21734%0.34CS..SBendtrans-154.7149.8177.2178.70000110K162 L166 F167K162-S164 PolarHBondContact O-N 3.21Å; S164-L166 PolarHBondContact O-N 3.29Å; S164-L166 PolarHBondContact OG-N 3.2Å; S164-F167 WeakPolarHBondContact O-CB 3.49Å; S164-F167 PolarHBondContact O-N 3.13Å
165P79.5Confident79.6Confident134 Ų13460.1 Ų60.187%0.8734%0.34SS*.THydrogen-bonded Turntrans-56.6-27.6168.9-24.934.5000113.5F167P165-F167 VanDerWaalsContact C-N 3.29Å; P165-F167 PolarHBondContact O-N 2.94Å
166L80.2Confident79.8Confident150 Ų15061.6 Ų61.679%0.78535%0.349SS*.THydrogen-bonded Turntrans-82.3-4.1179.3-60.3176.3000113.4S164 C168S164-L166 PolarHBondContact O-N 3.29Å; S164-L166 PolarHBondContact OG-N 3.2Å; L166-C168 PolarHBondContact O-N 3.36Å; L166-C168 VanDerWaalsContact O-N 3.17Å
167F82.7Confident79.9Confident9 Ų967.2 Ų67.24%0.03938%0.375CS..  trans-67.5115.3-176.9-178.6-94.8000111.1W109 A153 V156 H157 K162 P163 S164 P165 V169W109-F167 HydrophobicContact CD2-CD2 4.01Å; W109-F167 HydrophobicContact CD2-CE2 4.5Å; W109-F167 AromaticContact CE3-CD2 3.61Å; W109-F167 HydrophobicContact CE3-CD2 3.61Å; W109-F167 AromaticContact CE3-CE2 3.81Å; W109-F167 HydrophobicContact CE3-CE2 3.81Å; W109-F167 HydrophobicContact CH2-CD2 4.39Å; W109-F167 AromaticContact CZ3-CD2 3.83Å; W109-F167 HydrophobicContact CZ3-CD2 3.83Å; W109-F167 HydrophobicContact CZ3-CE2 4.16Å; A153-F167 HydrophobicContact CB-CE2 4.4Å; A153-F167 HydrophobicContact CB-CZ 3.93Å; A153-F167 WeakPolarHBondContact O-CZ 3.45Å; V156-F167 HydrophobicContact CB-CE1 4.37Å; V156-F167 HydrophobicContact CB-CZ 3.98Å; V156-F167 HydrophobicContact CG1-CE1 3.87Å; V156-F167 HydrophobicContact CG1-CE2 4.26Å; V156-F167 HydrophobicContact CG1-CZ 3.71Å; H157-F167 HydrophobicContact CB-CE1 4.14Å; K162-F167 HydrophobicContact CG-CD1 4.23Å; P163-F167 HydrophobicContact CG-CB 4.48Å; P163-F167 HydrophobicContact CG-CD2 3.89Å; P163-F167 HydrophobicContact CG-CE2 4.41Å; P163-F167 HydrophobicContact CG-CG 4.25Å; S164-F167 WeakPolarHBondContact O-CB 3.49Å; S164-F167 PolarHBondContact O-N 3.13Å; P165-F167 VanDerWaalsContact C-N 3.29Å; P165-F167 PolarHBondContact O-N 2.94Å; F167-V169 HydrophobicContact CE1-CG2 4.14Å
168C82.3Confident80.2Confident46 Ų4667.6 Ų67.631%0.31138%0.384SS..  trans-131.3124.3176.1179.20000108.7L166 Q170 N171 S172L166-C168 PolarHBondContact O-N 3.36Å; L166-C168 VanDerWaalsContact O-N 3.17Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.19Å; C168-N171 HydrophobicContact CB-CB 4.39Å; C168-N171 CarbonylContact O-C 3.55Å; C168-N171 PolarHBondContact O-N 3.45Å; C168-S172 WeakPolarHBondContact O-CB 3.27Å; C168-S172 PolarHBondContact O-N 3.49Å
169V79.9Confident81Confident16 Ų1663.7 Ų63.710%0.09736%0.363CS..G310 helixtrans-59-45.5-179.11790000111.3Y150 A153 E154 H157 F167 N171 S172Y150-V169 HydrophobicContact CD1-CG1 4.35Å; Y150-V169 HydrophobicContact CE1-CG1 3.85Å; Y150-V169 HydrophobicContact CE2-CG1 4.44Å; A153-V169 HydrophobicContact CB-CG1 4.43Å; E154-V169 HydrophobicContact CB-CG1 4.49Å; E154-V169 HydrophobicContact CG-CG1 3.6Å; H157-V169 HydrophobicContact CB-CG2 3.33Å; F167-V169 HydrophobicContact CE1-CG2 4.14Å; V169-N171 PolarHBondContact O-N 3.35Å; V169-N171 VanDerWaalsContact O-N 3.15Å; V169-S172 PolarHBondContact O-N 3.33Å; V169-S172 VanDerWaalsContact O-N 3.15Å; V169-S172 PolarHBondContact O-OG 3.11Å
170Q79Confident81.9Confident152 Ų15262.7 Ų62.771%0.7136%0.358SS*.G310 helixtrans-60.8-29.6-177.1-68.1176.2-2300112.7C168C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.19Å
171N80.3Confident82.9Confident127 Ų12765 Ų6568%0.67936%0.356SS*.G310 helixtrans-110.38.5-177.7-60.9-22.6000112.5C168 V169C168-N171 HydrophobicContact CB-CB 4.39Å; C168-N171 CarbonylContact O-C 3.55Å; C168-N171 PolarHBondContact O-N 3.45Å; V169-N171 PolarHBondContact O-N 3.35Å; V169-N171 VanDerWaalsContact O-N 3.15Å
172S84.4Confident83.9Confident1 Ų165.3 Ų65.31%0.00736%0.355CS..THydrogen-bonded Turntrans-75.2-32.5-176.159.30000111.7I112 N116 A153 C168 V169I112-S172 WeakPolarHBondContact CG2-O 3.49Å; N116-S172 PolarHBondContact ND2-O 3.48Å; A153-S172 WeakPolarHBondContact CB-OG 3.39Å; C168-S172 WeakPolarHBondContact O-CB 3.27Å; C168-S172 PolarHBondContact O-N 3.49Å; V169-S172 PolarHBondContact O-N 3.33Å; V169-S172 VanDerWaalsContact O-N 3.15Å; V169-S172 PolarHBondContact O-OG 3.11Å
173I86.3Confident84.6Confident8 Ų862.8 Ų62.84%0.04135%0.351CS..SBendtrans-114.6120.5177.1-51-58.5000108.3I112 F120 A146 F149 Y150 I175I112-I173 HydrophobicContact CB-CD1 4.44Å; I112-I173 HydrophobicContact CD1-CD1 4.24Å; I112-I173 HydrophobicContact CG1-CD1 3.95Å; I112-I173 HydrophobicContact CG2-CD1 3.84Å; F120-I173 HydrophobicContact CD2-CG2 4.38Å; F120-I173 HydrophobicContact CE2-CD1 4.45Å; F120-I173 HydrophobicContact CE2-CG2 3.71Å; F120-I173 HydrophobicContact CZ-CG2 3.85Å; A146-I173 HydrophobicContact CB-CG2 4.35Å; F149-I173 HydrophobicContact CB-CD1 3.52Å; F149-I173 HydrophobicContact CB-CG1 4.36Å; Y150-I173 HydrophobicContact CD2-CG1 4.4Å; I173-I175 HydrophobicContact CB-CG1 4.27Å; I173-I175 HydrophobicContact CG2-CD1 4.15Å; I173-I175 HydrophobicContact CG2-CG1 3.61Å; I173-I175 PolarHBondContact O-N 3.36Å; I173-I175 VanDerWaalsContact O-N 3.08Å
174V84.4Confident85.3Confident102 Ų10260.8 Ų60.862%0.61834%0.337SS*.  trans-84.784.1-180-174.10000108.7N116N116-V174 PolarHBondContact OD1-N 2.97Å
175I81.9Confident85.9Confident29 Ų2959.3 Ų59.315%0.14933%0.327CS..  trans-90.1124.3176.8-54.2177.3000108.9Y142 A146 I173 E177 L180 L193Y142-I175 HydrophobicContact CE1-CG2 4.41Å; A146-I175 HydrophobicContact CB-CD1 3.78Å; A146-I175 HydrophobicContact CB-CG1 4.09Å; I173-I175 HydrophobicContact CB-CG1 4.27Å; I173-I175 HydrophobicContact CG2-CD1 4.15Å; I173-I175 HydrophobicContact CG2-CG1 3.61Å; I173-I175 PolarHBondContact O-N 3.36Å; I173-I175 VanDerWaalsContact O-N 3.08Å; I175-E177 PolarHBondContact O-N 3.38Å; I175-L180 HydrophobicContact CG2-CD2 4.46Å; I175-L193 HydrophobicContact CD1-CD2 4.46Å
176D84.5Confident86.6Confident47 Ų4753 Ų5325%0.25129%0.286SS..  trans-73.7104.5162.7-171.1-23.8000109.1K128 Y142 T178 I179K128-D176 WeakPolarHBondContact CE-OD2 2.94Å; K128-D176 IonicContact NZ-OD2 3.52Å; K128-D176 PolarHBondContact NZ-OD2 2.97Å; Y142-D176 PolarHBondContact OH-N 2.94Å; D176-T178 VanDerWaalsContact CG-OG1 3.23Å; D176-T178 PolarHBondContact O-N 3.25Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 WeakPolarHBondContact OD1-CB 3.44Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.2Å; D176-T178 PolarHBondContact OD1-N 3.08Å; D176-T178 PolarHBondContact OD1-OG1 3.42Å; D176-T178 PolarHBondContact OD2-OG1 3.1Å; D176-I179 HydrophobicContact CB-CD1 4.16Å; D176-I179 HydrophobicContact CB-CG1 4.26Å; D176-I179 WeakPolarHBondContact O-CB 3.4Å; D176-I179 PolarHBondContact O-N 3.48Å
177E82.9Confident87.1Confident117 Ų11749.4 Ų49.455%0.54727%0.268SS..Hα-helixtrans-58.1-25.7-178-66.9-172-177.900112.7I175 I179 L180I175-E177 PolarHBondContact O-N 3.38Å; E177-I179 PolarHBondContact O-N 2.93Å; E177-L180 WeakPolarHBondContact O-CB 3.45Å; E177-L180 PolarHBondContact O-N 2.74Å
178T86.8Confident87.5Confident91 Ų9149 Ų4956%0.55827%0.266SS*.Hα-helixtrans-63.7-25.7177.569.50000112.5D176 L180 D181D176-T178 VanDerWaalsContact CG-OG1 3.23Å; D176-T178 PolarHBondContact O-N 3.25Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 WeakPolarHBondContact OD1-CB 3.44Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.2Å; D176-T178 PolarHBondContact OD1-N 3.08Å; D176-T178 PolarHBondContact OD1-OG1 3.42Å; D176-T178 PolarHBondContact OD2-OG1 3.1Å; T178-L180 VanDerWaalsContact C-N 3.28Å; T178-L180 PolarHBondContact O-N 3.17Å; T178-D181 PolarHBondContact O-N 2.9Å
179I90.5Very high88Confident3 Ų346.8 Ų46.82%0.01525%0.251CS..Hα-helixtrans-66.3-33.4174.7-70.7179.1000111.2C124 V127 K128 Y142 D176 E177 D181 H182 V185C124-I179 VanDerWaalsContact CA-CD1 3.47Å; C124-I179 HydrophobicContact CB-CD1 3.6Å; C124-I179 WeakPolarHBondContact SG-CD1 3.4Å; V127-I179 HydrophobicContact CG1-CG2 3.97Å; K128-I179 HydrophobicContact CG-CG1 4.46Å; Y142-I179 HydrophobicContact CD1-CG2 3.93Å; Y142-I179 HydrophobicContact CE1-CB 4.25Å; Y142-I179 HydrophobicContact CE1-CD1 4.03Å; Y142-I179 HydrophobicContact CE1-CG2 3.75Å; Y142-I179 HydrophobicContact CE2-CD1 4.24Å; D176-I179 HydrophobicContact CB-CD1 4.16Å; D176-I179 HydrophobicContact CB-CG1 4.26Å; D176-I179 WeakPolarHBondContact O-CB 3.4Å; D176-I179 PolarHBondContact O-N 3.48Å; E177-I179 PolarHBondContact O-N 2.93Å; I179-D181 PolarHBondContact O-N 3.38Å; I179-H182 WeakPolarHBondContact O-CB 3.25Å; I179-H182 PolarHBondContact O-N 3.03Å; I179-V185 HydrophobicContact CG2-CG2 4.19Å; I179-V185 VanDerWaalsContact O-CG2 3.22Å; I179-V185 WeakPolarHBondContact O-CG2 3.28Å
180L89.5Confident88.6Confident1 Ų147.8 Ų47.81%0.00525%0.253CS..Hα-helixtrans-61.5-30.4-176.7-59.2-177.3000111.3I175 E177 T178 H182 R190 L193 Y194I175-L180 HydrophobicContact CG2-CD2 4.46Å; E177-L180 WeakPolarHBondContact O-CB 3.45Å; E177-L180 PolarHBondContact O-N 2.74Å; T178-L180 VanDerWaalsContact C-N 3.28Å; T178-L180 PolarHBondContact O-N 3.17Å; L180-H182 VanDerWaalsContact C-N 3.33Å; L180-R190 VanDerWaalsContact O-CD 3.25Å; L180-R190 WeakPolarHBondContact O-CD 3.46Å; L180-R190 VanDerWaalsContact O-CG 3.31Å; L180-R190 WeakPolarHBondContact O-CG 3Å; L180-R190 PolarHBondContact O-NE 3.34Å; L180-L193 HydrophobicContact CD1-CB 4.39Å; L180-L193 HydrophobicContact CD2-CB 3.94Å; L180-L193 HydrophobicContact CD2-CD1 3.62Å; L180-L193 HydrophobicContact CD2-CG 4.44Å; L180-Y194 HydrophobicContact CB-CE1 4.25Å; L180-Y194 HydrophobicContact CB-CE2 4.06Å; L180-Y194 HydrophobicContact CD1-CD1 4.01Å; L180-Y194 HydrophobicContact CD1-CE1 3.83Å; L180-Y194 HydrophobicContact CD1-CG 4.5Å
181D91.6Very high89Confident108 Ų10844 Ų4458%0.57824%0.235SC*.THydrogen-bonded Turntrans-85.2-3.4175.8-66.7-33.2000113.9T178 I179 Y194T178-D181 PolarHBondContact O-N 2.9Å; I179-D181 PolarHBondContact O-N 3.38Å; D181-Y194 PolarHBondContact OD1-OH 2.98Å; D181-Y194 PolarHBondContact OD2-OH 3.15Å
182H94.2Very high89.4Confident37 Ų3738 Ų3817%0.17120%0.203CC..SBendtrans-64.2134.4178-160.3-91000110.6V127 I179 L180 T184 V185 R190V127-H182 HydrophobicContact CG1-CB 4.42Å; I179-H182 WeakPolarHBondContact O-CB 3.25Å; I179-H182 PolarHBondContact O-N 3.03Å; L180-H182 VanDerWaalsContact C-N 3.33Å; H182-T184 PolarHBondContact CE1-OG1 2.87Å; H182-T184 PolarHBondContact ND1-N 2.91Å; H182-T184 PolarHBondContact ND1-OG1 2.73Å; H182-T184 PolarHBondContact O-N 2.96Å; H182-T184 VanDerWaalsContact O-N 3.1Å; H182-V185 HydrophobicContact CB-CG2 4.34Å; H182-V185 PolarHBondContact O-N 2.66Å; H182-V185 VanDerWaalsContact O-N 3.08Å; H182-R190 PolarHBondContact O-NH2 3.37Å
183P93.5Very high89.6Confident67 Ų6738 Ų3844%0.43520%0.203SC..THydrogen-bonded Turntrans-57.4-28.4-176.6-30.337.1000114.8N133 V185N133-P183 HydrophobicContact CB-CB 4.19Å; P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 2.59Å
184T95.2Very high89.7Confident0 Ų039.9 Ų39.90%021%0.21CC..THydrogen-bonded Turntrans-78.6-7.7-178.163.30000114Q130 T132 L134 P135 S136 S139 H182 P186Q130-T184 HydrophobicContact CB-CG2 4.19Å; Q130-T184 PolarHBondContact OE1-OG1 3.13Å; Q130-T184 VanDerWaalsContact OE1-OG1 3.07Å; T132-T184 HydrophobicContact CG2-CG2 3.55Å; T132-T184 WeakPolarHBondContact O-CG2 3.24Å; L134-T184 WeakPolarHBondContact O-CA 3.42Å; L134-T184 WeakPolarHBondContact O-CB 3.35Å; L134-T184 WeakPolarHBondContact O-CG2 3.49Å; P135-T184 CarbonylContact C-O 3.56Å; P135-T184 WeakPolarHBondContact CA-O 3.49Å; S136-T184 PolarHBondContact N-O 3.05Å; S139-T184 VanDerWaalsContact CB-O 3.27Å; S139-T184 WeakPolarHBondContact CB-O 3.18Å; S139-T184 WeakPolarHBondContact OG-CB 3.43Å; S139-T184 PolarHBondContact OG-OG1 3.41Å; H182-T184 PolarHBondContact CE1-OG1 2.87Å; H182-T184 PolarHBondContact ND1-N 2.91Å; H182-T184 PolarHBondContact ND1-OG1 2.73Å; H182-T184 PolarHBondContact O-N 2.96Å; H182-T184 VanDerWaalsContact O-N 3.1Å; T184-P186 WeakPolarHBondContact O-CD 3.31Å
185V94.3Very high89.7Confident0 Ų036.1 Ų36.10%019%0.186CC..SBendtrans-74.1126.4174.3175.30000109.4I179 H182 P183 N187 R190I179-V185 HydrophobicContact CG2-CG2 4.19Å; I179-V185 VanDerWaalsContact O-CG2 3.22Å; I179-V185 WeakPolarHBondContact O-CG2 3.28Å; H182-V185 HydrophobicContact CB-CG2 4.34Å; H182-V185 PolarHBondContact O-N 2.66Å; H182-V185 VanDerWaalsContact O-N 3.08Å; P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 2.59Å; V185-N187 PolarHBondContact O-N 2.59Å; V185-R190 HydrophobicContact CG1-CB 3.95Å; V185-R190 PolarHBondContact O-NH2 2.85Å
186P93.5Very high89.8Confident2 Ų234.9 Ų34.91%0.01318%0.18CC..  trans-56.6131.5173.7-26.536.1000111.6I30 P135 W140 T184 I188 L189 R190I30-P186 HydrophobicContact CD1-CG 3.79Å; P135-P186 HydrophobicContact CB-CG 4.31Å; W140-P186 HydrophobicContact CB-CG 4.09Å; T184-P186 WeakPolarHBondContact O-CD 3.31Å; P186-I188 PolarHBondContact O-N 3.04Å; P186-I188 VanDerWaalsContact O-N 3.11Å; P186-L189 HydrophobicContact CB-CB 4.49Å; P186-L189 HydrophobicContact CB-CD1 4.31Å; P186-L189 HydrophobicContact CG-CD1 4.13Å; P186-L189 PolarHBondContact O-N 2.93Å; P186-R190 PolarHBondContact O-N 3.39Å
187N91.5Very high89.5Confident74 Ų7435 Ų3540%0.39618%0.182SC..Hα-helixtrans-52.7-40.4-174.9-70.2-14.2000112.8V185 R190 H191 L227V185-N187 PolarHBondContact O-N 2.59Å; N187-R190 PolarHBondContact O-N 3.22Å; N187-R190 PolarHBondContact OD1-NH1 3.43Å; N187-H191 PolarHBondContact O-N 3.2Å; N187-H191 VanDerWaalsContact O-N 3.08Å; N187-H191 PolarHBondContact O-ND1 3.39Å; N187-L227 HydrophobicContact CB-CD2 4.34Å
188I90.7Very high89.3Confident0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-58.4-50177.3-72.8-166.5000111.6P186 R190 H191 I192 F203 L214 N223 L227P186-I188 PolarHBondContact O-N 3.04Å; P186-I188 VanDerWaalsContact O-N 3.11Å; I188-R190 VanDerWaalsContact C-N 3.34Å; I188-R190 PolarHBondContact O-N 2.96Å; I188-H191 PolarHBondContact O-N 3.31Å; I188-I192 HydrophobicContact CG2-CD1 3.6Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.42Å; I188-I192 PolarHBondContact O-N 3.33Å; I188-F203 HydrophobicContact CG2-CZ 4.15Å; I188-L214 HydrophobicContact CD1-CB 4.25Å; I188-N223 HydrophobicContact CD1-CB 3.31Å; I188-N223 HydrophobicContact CG1-CB 4.34Å; I188-L227 HydrophobicContact CG1-CB 4.33Å; I188-L227 HydrophobicContact CG1-CD1 4.25Å; I188-L227 HydrophobicContact CG1-CD2 4.15Å; I188-L227 HydrophobicContact CG1-CG 4.48Å
189L92.8Very high88.7Confident0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-65.3-39.1-178.9-76.1171.9000111.7W140 C143 M144 P186 H191 I192 L193 I215W140-L189 HydrophobicContact CB-CD1 4.33Å; W140-L189 HydrophobicContact CG-CD1 3.93Å; C143-L189 HydrophobicContact CB-CB 3.94Å; C143-L189 HydrophobicContact CB-CD1 3.79Å; C143-L189 HydrophobicContact CB-CD2 4.4Å; C143-L189 HydrophobicContact CB-CG 4.27Å; M144-L189 HydrophobicContact CG-CD1 4.1Å; M144-L189 HydrophobicContact CG-CD2 4.4Å; M144-L189 HydrophobicContact SD-CD1 4.28Å; M144-L189 HydrophobicContact SD-CD2 3.77Å; P186-L189 HydrophobicContact CB-CB 4.49Å; P186-L189 HydrophobicContact CB-CD1 4.31Å; P186-L189 HydrophobicContact CG-CD1 4.13Å; P186-L189 PolarHBondContact O-N 2.93Å; L189-H191 PolarHBondContact O-N 3.4Å; L189-I192 PolarHBondContact O-N 3.15Å; L189-L193 WeakPolarHBondContact O-CB 3.12Å; L189-L193 WeakPolarHBondContact O-CG 3.17Å; L189-L193 PolarHBondContact O-N 3.19Å; L189-I215 HydrophobicContact CD2-CG2 4.02Å
190R91.9Very high87.9Confident38 Ų3840.5 Ų40.514%0.14320%0.196CC..Hα-helixtrans-55.2-51.7172.7-174.7-177-57106.65.4111.4L180 H182 V185 P186 N187 I188 I192 Y194L180-R190 VanDerWaalsContact O-CD 3.25Å; L180-R190 WeakPolarHBondContact O-CD 3.46Å; L180-R190 VanDerWaalsContact O-CG 3.31Å; L180-R190 WeakPolarHBondContact O-CG 3Å; L180-R190 PolarHBondContact O-NE 3.34Å; H182-R190 PolarHBondContact O-NH2 3.37Å; V185-R190 HydrophobicContact CG1-CB 3.95Å; V185-R190 PolarHBondContact O-NH2 2.85Å; P186-R190 PolarHBondContact O-N 3.39Å; N187-R190 PolarHBondContact O-N 3.22Å; N187-R190 PolarHBondContact OD1-NH1 3.43Å; I188-R190 VanDerWaalsContact C-N 3.34Å; I188-R190 PolarHBondContact O-N 2.96Å; R190-I192 VanDerWaalsContact C-N 3.34Å; R190-I192 PolarHBondContact O-N 3.08Å; R190-Y194 HydrophobicContact CG-CD2 3.66Å; R190-Y194 HydrophobicContact CG-CE2 3.53Å; R190-Y194 WeakPolarHBondContact O-CB 3.36Å; R190-Y194 VanDerWaalsContact O-CD2 3.25Å; R190-Y194 WeakPolarHBondContact O-CD2 3.3Å; R190-Y194 PolarHBondContact O-N 2.9Å
191H88.1Confident86.9Confident73 Ų7341.5 Ų41.534%0.33820%0.203SC..Hα-helixtrans-61.8-42.6-179.5-7583.6000112.1N187 I188 L189 N195 F203N187-H191 PolarHBondContact O-N 3.2Å; N187-H191 VanDerWaalsContact O-N 3.08Å; N187-H191 PolarHBondContact O-ND1 3.39Å; I188-H191 PolarHBondContact O-N 3.31Å; L189-H191 PolarHBondContact O-N 3.4Å; H191-N195 WeakPolarHBondContact O-CB 3.43Å; H191-N195 VanDerWaalsContact O-CG 3.24Å; H191-N195 PolarHBondContact O-N 3.01Å; H191-N195 PolarHBondContact O-ND2 3.35Å; H191-F203 HydrophobicContact CB-CE1 4.42Å
192I88.4Confident86.3Confident0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-67.4-48.9-177.8-68.7167.8000111F147 I188 L189 R190 Y194 N195 Q196 Y202 F203 L211 I215F147-I192 HydrophobicContact CD2-CG2 3.38Å; F147-I192 HydrophobicContact CE2-CG2 3.47Å; F147-I192 VanDerWaalsContact CE2-CG2 3.47Å; F147-I192 HydrophobicContact CG-CG2 4.36Å; I188-I192 HydrophobicContact CG2-CD1 3.6Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.42Å; I188-I192 PolarHBondContact O-N 3.33Å; L189-I192 PolarHBondContact O-N 3.15Å; R190-I192 VanDerWaalsContact C-N 3.34Å; R190-I192 PolarHBondContact O-N 3.08Å; I192-Y194 VanDerWaalsContact C-N 3.33Å; I192-Y194 PolarHBondContact O-N 3.46Å; I192-N195 PolarHBondContact O-N 2.98Å; I192-N195 VanDerWaalsContact O-N 3.13Å; I192-Q196 WeakPolarHBondContact O-CB 3.13Å; I192-Q196 PolarHBondContact O-N 3.44Å; I192-Y202 HydrophobicContact CG2-CD1 4.06Å; I192-Y202 HydrophobicContact CG2-CE1 3.81Å; I192-F203 HydrophobicContact CD1-CE1 4.08Å; I192-F203 HydrophobicContact CD1-CZ 3.78Å; I192-F203 HydrophobicContact CG1-CE1 3.65Å; I192-F203 HydrophobicContact CG1-CZ 3.89Å; I192-L211 HydrophobicContact CD1-CD1 3.82Å; I192-L211 HydrophobicContact CG1-CD1 4.38Å; I192-I215 HydrophobicContact CD1-CD1 3.62Å; I192-I215 HydrophobicContact CD1-CG1 3.29Å; I192-I215 HydrophobicContact CG2-CD1 4.44Å
193L89.1Confident85.6Confident0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-63.4-40.3178.9-73.3172.6000111.5C143 A146 F147 I175 L180 L189 N195 Q196 V197C143-L193 HydrophobicContact CB-CD1 3.6Å; A146-L193 HydrophobicContact CB-CD2 4.15Å; F147-L193 HydrophobicContact CB-CD2 3.85Å; I175-L193 HydrophobicContact CD1-CD2 4.46Å; L180-L193 HydrophobicContact CD1-CB 4.39Å; L180-L193 HydrophobicContact CD2-CB 3.94Å; L180-L193 HydrophobicContact CD2-CD1 3.62Å; L180-L193 HydrophobicContact CD2-CG 4.44Å; L189-L193 WeakPolarHBondContact O-CB 3.12Å; L189-L193 WeakPolarHBondContact O-CG 3.17Å; L189-L193 PolarHBondContact O-N 3.19Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 2.84Å; L193-Q196 PolarHBondContact O-N 3.19Å; L193-V197 WeakPolarHBondContact O-CB 3.49Å; L193-V197 VanDerWaalsContact O-CG2 3.31Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 2.85Å
194Y87.7Confident84.9Confident48 Ų4834.3 Ų34.319%0.18816%0.162CC..Hα-helixtrans-60.4-41.4172.9-87.9-49.4000112.8L180 D181 R190 I192 K198L180-Y194 HydrophobicContact CB-CE1 4.25Å; L180-Y194 HydrophobicContact CB-CE2 4.06Å; L180-Y194 HydrophobicContact CD1-CD1 4.01Å; L180-Y194 HydrophobicContact CD1-CE1 3.83Å; L180-Y194 HydrophobicContact CD1-CG 4.5Å; D181-Y194 PolarHBondContact OD1-OH 2.98Å; D181-Y194 PolarHBondContact OD2-OH 3.15Å; R190-Y194 HydrophobicContact CG-CD2 3.66Å; R190-Y194 HydrophobicContact CG-CE2 3.53Å; R190-Y194 WeakPolarHBondContact O-CB 3.36Å; R190-Y194 VanDerWaalsContact O-CD2 3.25Å; R190-Y194 WeakPolarHBondContact O-CD2 3.3Å; R190-Y194 PolarHBondContact O-N 2.9Å; I192-Y194 VanDerWaalsContact C-N 3.33Å; I192-Y194 PolarHBondContact O-N 3.46Å; Y194-K198 VanDerWaalsContact O-CB 3.24Å; Y194-K198 WeakPolarHBondContact O-CB 3.48Å; Y194-K198 VanDerWaalsContact O-CG 3.28Å; Y194-K198 WeakPolarHBondContact O-CG 3.14Å; Y194-K198 PolarHBondContact O-N 3.36Å
195N84.4Confident84.2Confident24 Ų2434.9 Ų34.913%0.12817%0.166CC..Hα-helixtrans-67.2-40.8177-73.9-15.7000111.4H191 I192 L193 K198 N199 R200 P201 Y202H191-N195 WeakPolarHBondContact O-CB 3.43Å; H191-N195 VanDerWaalsContact O-CG 3.24Å; H191-N195 PolarHBondContact O-N 3.01Å; H191-N195 PolarHBondContact O-ND2 3.35Å; I192-N195 PolarHBondContact O-N 2.98Å; I192-N195 VanDerWaalsContact O-N 3.13Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 2.84Å; N195-K198 CarbonylContact O-C 3.51Å; N195-K198 PolarHBondContact O-N 3.45Å; N195-N199 PolarHBondContact O-N 2.86Å; N195-R200 HydrophobicContact CB-CB 4.14Å; N195-R200 PolarHBondContact O-N 2.88Å; N195-P201 PolarHBondContact ND2-O 3.23Å; N195-Y202 HydrophobicContact CB-CD1 4.07Å; N195-Y202 HydrophobicContact CB-CE1 4.28Å
196Q84Confident83.4Confident3 Ų336.8 Ų36.81%0.01418%0.178CC..Hα-helixtrans-63.7-48.9178.8-169.9165.430.100111.9F147 Y150 E154 I192 L193 K198 N199 Y202F147-Q196 VanDerWaalsContact CD2-OE1 3.3Å; F147-Q196 PolarHBondContact O-NE2 3.09Å; Y150-Q196 HydrophobicContact CD1-CG 3.26Å; Y150-Q196 HydrophobicContact CE1-CG 3.42Å; Y150-Q196 VanDerWaalsContact CE1-CG 3.42Å; Y150-Q196 HydrophobicContact CG-CG 3.88Å; E154-Q196 PolarHBondContact OE2-NE2 3.25Å; I192-Q196 WeakPolarHBondContact O-CB 3.13Å; I192-Q196 PolarHBondContact O-N 3.44Å; L193-Q196 PolarHBondContact O-N 3.19Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.33Å; Q196-N199 PolarHBondContact O-N 3.37Å; Q196-Y202 HydrophobicContact CB-CE1 4.06Å; Q196-Y202 WeakPolarHBondContact CB-OH 3.43Å; Q196-Y202 VanDerWaalsContact CG-OH 3.31Å; Q196-Y202 WeakPolarHBondContact CG-OH 3.5Å; Q196-Y202 PolarHBondContact NE2-OH 3.09Å
197V79.1Confident82.2Confident49 Ų4944.2 Ų44.230%0.29722%0.224SC..Hα-helixtrans-62.6-39.6176.8172.80000111.4L193 N199L193-V197 WeakPolarHBondContact O-CB 3.49Å; L193-V197 VanDerWaalsContact O-CG2 3.31Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 2.85Å; V197-N199 VanDerWaalsContact C-N 3.27Å; V197-N199 PolarHBondContact O-N 2.97Å
198K78.8Confident81.4Confident114 Ų11445 Ų4550%0.49624%0.236SC..THydrogen-bonded Turntrans-84.84.4179.5-65.1177.6-179.31730113.8Y194 N195 Q196 R200Y194-K198 VanDerWaalsContact O-CB 3.24Å; Y194-K198 WeakPolarHBondContact O-CB 3.48Å; Y194-K198 VanDerWaalsContact O-CG 3.28Å; Y194-K198 WeakPolarHBondContact O-CG 3.14Å; Y194-K198 PolarHBondContact O-N 3.36Å; N195-K198 CarbonylContact O-C 3.51Å; N195-K198 PolarHBondContact O-N 3.45Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.33Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 HydrophobicContact CB-CG 4.02Å; K198-R200 PolarHBondContact O-N 3.14Å
199N72.9Confident80.7Confident71 Ų7148.6 Ų48.638%0.3825%0.249SC..THydrogen-bonded Turntrans50.148.4-176.2-163.634.5000113.1N195 Q196 V197 Y236N195-N199 PolarHBondContact O-N 2.86Å; Q196-N199 PolarHBondContact O-N 3.37Å; V197-N199 VanDerWaalsContact C-N 3.27Å; V197-N199 PolarHBondContact O-N 2.97Å; N199-Y236 WeakPolarHBondContact OD1-CE1 3.44Å
200R73.9Confident80.3Confident141 Ų14149.1 Ų49.153%0.53225%0.252SS..  trans-109.1154.5-179.9-70.8-176.7-178-171.3-2.1110.1N195 K198N195-R200 HydrophobicContact CB-CB 4.14Å; N195-R200 PolarHBondContact O-N 2.88Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 HydrophobicContact CB-CG 4.02Å; K198-R200 PolarHBondContact O-N 3.14Å
201P69.2Low79.9Confident23 Ų2347.7 Ų47.715%0.14925%0.247CC..PPolyproline II helixtrans-67143.7179.428.8-28.1000111.2N195 K233 Y236N195-P201 PolarHBondContact ND2-O 3.23Å; P201-K233 HydrophobicContact CB-CB 4.02Å; P201-K233 HydrophobicContact CG-CB 4.2Å; P201-K233 WeakPolarHBondContact CG-O 3.37Å; P201-Y236 HydrophobicContact CB-CD2 3.9Å
202Y79.5Confident79.9Confident13 Ų1344.6 Ų44.65%0.05123%0.233CC..PPolyproline II helixtrans-68.5156.8168.9-55.2-51000110.6I192 N195 Q196 L211 C242I192-Y202 HydrophobicContact CG2-CD1 4.06Å; I192-Y202 HydrophobicContact CG2-CE1 3.81Å; N195-Y202 HydrophobicContact CB-CD1 4.07Å; N195-Y202 HydrophobicContact CB-CE1 4.28Å; Q196-Y202 HydrophobicContact CB-CE1 4.06Å; Q196-Y202 WeakPolarHBondContact CB-OH 3.43Å; Q196-Y202 VanDerWaalsContact CG-OH 3.31Å; Q196-Y202 WeakPolarHBondContact CG-OH 3.5Å; Q196-Y202 PolarHBondContact NE2-OH 3.09Å; Y202-L211 HydrophobicContact CD2-CD2 3.54Å; Y202-L211 HydrophobicContact CE2-CD2 4.31Å; Y202-L211 HydrophobicContact CG-CD2 3.76Å; Y202-C242 HydrophobicContact CD2-CB 3.48Å; Y202-C242 VanDerWaalsContact CD2-CB 3.48Å; Y202-C242 HydrophobicContact CE2-CB 3.67Å
203F79.3Confident80Confident4 Ų445.1 Ų45.12%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-67.9152.4166.557.8-103000109.9I188 H191 I192 P205 L211 L214 L227 C230 K231 Y232I188-F203 HydrophobicContact CG2-CZ 4.15Å; H191-F203 HydrophobicContact CB-CE1 4.42Å; I192-F203 HydrophobicContact CD1-CE1 4.08Å; I192-F203 HydrophobicContact CD1-CZ 3.78Å; I192-F203 HydrophobicContact CG1-CE1 3.65Å; I192-F203 HydrophobicContact CG1-CZ 3.89Å; F203-P205 HydrophobicContact CE2-CG 4.44Å; F203-L211 HydrophobicContact CD2-CD1 4.26Å; F203-L211 HydrophobicContact CE2-CD1 3.59Å; F203-L211 HydrophobicContact CZ-CD1 3.84Å; F203-L214 HydrophobicContact CE2-CD1 3.99Å; F203-L227 HydrophobicContact CD1-CD1 4.22Å; F203-L227 HydrophobicContact CE1-CD1 3.93Å; F203-L227 HydrophobicContact CZ-CD1 4.16Å; F203-C230 HydrophobicContact CB-CB 3.96Å; F203-C230 HydrophobicContact CD2-CB 3.68Å; F203-C230 HydrophobicContact CG-CB 3.99Å; F203-K231 CarbonylContact C-O 3.46Å; F203-K231 VanDerWaalsContact CA-O 3.27Å; F203-K231 WeakPolarHBondContact CA-O 3.42Å; F203-Y232 HydrophobicContact CB-CD1 4.08Å; F203-Y232 HydrophobicContact CB-CE1 3.99Å; F203-Y232 HydrophobicContact CD1-CE1 4.49Å
204T78.9Confident80Confident43 Ų4345.1 Ų45.126%0.26424%0.236SC..EExtended strand (participates in β ladder)trans-96.8118.7173.2-50.60000108.8C230 K231T204-C230 WeakPolarHBondContact O-CA 3.41Å; T204-K231 PolarHBondContact N-O 3.46Å; T204-K231 PolarHBondContact O-N 2.89Å
205P81.1Confident80.2Confident13 Ų1342.8 Ų42.88%0.08423%0.227CC..PPolyproline II helixtrans-61.7166.6174.6-24.336.6000113F203 R209 L211 L214F203-P205 HydrophobicContact CE2-CG 4.44Å; P205-R209 HydrophobicContact CB-CB 4.34Å; P205-L211 HydrophobicContact CG-CB 4.37Å; P205-L214 HydrophobicContact CB-CD1 3.68Å; P205-L214 HydrophobicContact CB-CG 4.19Å; P205-L214 HydrophobicContact CG-CD1 3.72Å; P205-L214 HydrophobicContact CG-CG 4.17Å
206P77.3Confident80.7Confident39 Ų3942 Ų4225%0.25322%0.222SC..PPolyproline II helixtrans-56.1149168.4-2333.9000111.9S208 R209 I226P206-S208 PolarHBondContact O-N 2.71Å; P206-R209 PolarHBondContact O-N 3.07Å; P206-I226 HydrophobicContact CG-CG2 4.31Å
207T66.6Low81.2Confident159 Ų15941.8 Ų41.898%0.97522%0.221SC*.THydrogen-bonded Turntrans-54.7-13.2-171.1500000116.5
208S75.4Confident81.9Confident91 Ų9139.5 Ų39.564%0.63621%0.207SC*.THydrogen-bonded Turntrans-90-1.1177.456.10000114.3P206P206-S208 PolarHBondContact O-N 2.71Å
209R77.4Confident82.8Confident75 Ų7534.1 Ų34.128%0.28318%0.184SC..  trans-143.1150.6-173-61.1-177-176162.9-0.1111.9P205 P206 D213 L214P205-R209 HydrophobicContact CB-CB 4.34Å; P206-R209 PolarHBondContact O-N 3.07Å; R209-D213 HydrophobicContact CB-CB 4.34Å; R209-L214 HydrophobicContact CB-CD2 4.46Å
210T82.9Confident83.9Confident10 Ų1030.9 Ų30.96%0.06117%0.167CC..  trans-94.5166.8171.968.10000111.3L212 D213 L214 D246T210-L212 VanDerWaalsContact C-N 3.26Å; T210-L212 PolarHBondContact O-N 2.89Å; T210-D213 PolarHBondContact N-OD2 3.49Å; T210-D213 WeakPolarHBondContact O-CB 3.25Å; T210-D213 PolarHBondContact O-N 3.35Å; T210-D213 PolarHBondContact OG1-N 3.38Å; T210-D213 VanDerWaalsContact OG1-N 3.09Å; T210-D213 PolarHBondContact OG1-OD2 2.9Å; T210-D213 VanDerWaalsContact OG1-OD2 3.09Å; T210-L214 PolarHBondContact O-N 2.89Å; T210-D246 WeakPolarHBondContact CG2-OD1 3.48Å
211L84.8Confident84.8Confident8 Ų824.5 Ų24.54%0.04214%0.144CC..Hα-helixtrans-60.4-41.3174.3178.763.2000110.6I192 Y202 F203 P205 D213 L214 I215I192-L211 HydrophobicContact CD1-CD1 3.82Å; I192-L211 HydrophobicContact CG1-CD1 4.38Å; Y202-L211 HydrophobicContact CD2-CD2 3.54Å; Y202-L211 HydrophobicContact CE2-CD2 4.31Å; Y202-L211 HydrophobicContact CG-CD2 3.76Å; F203-L211 HydrophobicContact CD2-CD1 4.26Å; F203-L211 HydrophobicContact CE2-CD1 3.59Å; F203-L211 HydrophobicContact CZ-CD1 3.84Å; P205-L211 HydrophobicContact CG-CB 4.37Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.37Å; L211-L214 PolarHBondContact O-N 3.32Å; L211-I215 HydrophobicContact CD1-CD1 4.2Å; L211-I215 HydrophobicContact CD1-CG1 4.38Å; L211-I215 HydrophobicContact CD2-CD1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.8Å; L211-I215 HydrophobicContact CG-CG1 4.39Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.21Å; L211-I215 PolarHBondContact O-N 2.92Å
212L87.7Confident85.7Confident9 Ų924 Ų245%0.04714%0.141CC..Hα-helixtrans-61.2-40.4176.6-67.9179.5000111.9L92 F147 T210 L214 I215 F216 I243 F245L92-L212 HydrophobicContact CD1-CD1 4.43Å; L92-L212 HydrophobicContact CD1-CD2 3.81Å; F147-L212 HydrophobicContact CE1-CD2 4.22Å; T210-L212 VanDerWaalsContact C-N 3.26Å; T210-L212 PolarHBondContact O-N 2.89Å; L212-L214 VanDerWaalsContact C-N 3.28Å; L212-L214 PolarHBondContact O-N 3.24Å; L212-I215 PolarHBondContact O-N 2.91Å; L212-F216 HydrophobicContact CB-CD2 4.28Å; L212-F216 HydrophobicContact CB-CE2 4.37Å; L212-F216 HydrophobicContact CD2-CE2 4.42Å; L212-F216 WeakPolarHBondContact O-CB 3.36Å; L212-F216 WeakPolarHBondContact O-CD2 3.47Å; L212-F216 PolarHBondContact O-N 3.46Å; L212-I243 HydrophobicContact CD1-CG2 3.87Å; L212-I243 HydrophobicContact CD2-CG2 4.04Å; L212-I243 HydrophobicContact CG-CG2 4Å; L212-F245 HydrophobicContact CD1-CD1 4.45Å; L212-F245 HydrophobicContact CD1-CE1 4.17Å
213D89.3Confident86Confident10 Ų1023.6 Ų23.65%0.05314%0.14CC..Hα-helixtrans-57.8-42.3176.9-66.9-37.4000111.8I40 R44 R209 T210 L211 S217I40-D213 HydrophobicContact CD1-CB 3.97Å; I40-D213 HydrophobicContact CG1-CB 4.31Å; I40-D213 HydrophobicContact CG2-CB 4.26Å; I40-D213 VanDerWaalsContact CG2-OD1 3.23Å; I40-D213 WeakPolarHBondContact CG2-OD1 3.4Å; R44-D213 IonicContact CZ-OD1 3.79Å; R44-D213 IonicContact CZ-OD2 3.96Å; R44-D213 IonicContact NE-OD1 2.71Å; R44-D213 PolarHBondContact NE-OD1 3.1Å; R44-D213 VanDerWaalsContact NE-OD1 3.16Å; R44-D213 VanDerWaalsContact NH2-CG 3.34Å; R44-D213 IonicContact NH2-OD1 3.86Å; R44-D213 PolarHBondContact NH2-OD1 2.91Å; R44-D213 IonicContact NH2-OD2 2.86Å; R44-D213 PolarHBondContact NH2-OD2 3.41Å; R209-D213 HydrophobicContact CB-CB 4.34Å; T210-D213 PolarHBondContact N-OD2 3.49Å; T210-D213 WeakPolarHBondContact O-CB 3.25Å; T210-D213 PolarHBondContact O-N 3.35Å; T210-D213 PolarHBondContact OG1-N 3.38Å; T210-D213 VanDerWaalsContact OG1-N 3.09Å; T210-D213 PolarHBondContact OG1-OD2 2.9Å; T210-D213 VanDerWaalsContact OG1-OD2 3.09Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.37Å; D213-S217 WeakPolarHBondContact O-CB 3.31Å; D213-S217 PolarHBondContact O-N 3.12Å; D213-S217 PolarHBondContact O-OG 3.02Å
214L89.7Confident86.2Confident0 Ų025.6 Ų25.60%016%0.157CC..Hα-helixtrans-72.2-38.3179.7-63.8-166.4000112.9I188 F203 P205 R209 T210 L211 L212 S217 S218 N223 I226I188-L214 HydrophobicContact CD1-CB 4.25Å; F203-L214 HydrophobicContact CE2-CD1 3.99Å; P205-L214 HydrophobicContact CB-CD1 3.68Å; P205-L214 HydrophobicContact CB-CG 4.19Å; P205-L214 HydrophobicContact CG-CD1 3.72Å; P205-L214 HydrophobicContact CG-CG 4.17Å; R209-L214 HydrophobicContact CB-CD2 4.46Å; T210-L214 PolarHBondContact O-N 2.89Å; L211-L214 PolarHBondContact O-N 3.32Å; L212-L214 VanDerWaalsContact C-N 3.28Å; L212-L214 PolarHBondContact O-N 3.24Å; L214-S217 PolarHBondContact O-OG 3.42Å; L214-S218 WeakPolarHBondContact O-CB 3.46Å; L214-S218 PolarHBondContact O-N 3.29Å; L214-S218 VanDerWaalsContact O-N 3.15Å; L214-N223 PolarHBondContact O-ND2 3.48Å; L214-N223 VanDerWaalsContact O-ND2 3.09Å; L214-I226 HydrophobicContact CD1-CG2 3.96Å; L214-I226 HydrophobicContact CD2-CB 4.5Å; L214-I226 HydrophobicContact CD2-CG2 3.59Å; L214-I226 HydrophobicContact CG-CG2 4.47Å
215I92.6Very high86.3Confident0 Ų026.2 Ų26.20%017%0.172CC..Hα-helixtrans-63.4-51.9176.6-72.5174.6000109.8W140 M144 F147 L189 I192 L211 L212 S218W140-I215 PolarHBondContact NE1-O 3.4Å; M144-I215 HydrophobicContact CE-CG2 3.55Å; M144-I215 HydrophobicContact SD-CG2 3.1Å; M144-I215 WeakPolarHBondContact SD-CG2 3.36Å; F147-I215 HydrophobicContact CD1-CD1 4.06Å; F147-I215 HydrophobicContact CD1-CG2 4.41Å; F147-I215 HydrophobicContact CD2-CD1 4.48Å; F147-I215 HydrophobicContact CE1-CD1 3.48Å; F147-I215 VanDerWaalsContact CE1-CD1 3.48Å; F147-I215 HydrophobicContact CE2-CD1 3.96Å; F147-I215 HydrophobicContact CZ-CD1 3.42Å; F147-I215 VanDerWaalsContact CZ-CD1 3.42Å; L189-I215 HydrophobicContact CD2-CG2 4.02Å; I192-I215 HydrophobicContact CD1-CD1 3.62Å; I192-I215 HydrophobicContact CD1-CG1 3.29Å; I192-I215 HydrophobicContact CG2-CD1 4.44Å; L211-I215 HydrophobicContact CD1-CD1 4.2Å; L211-I215 HydrophobicContact CD1-CG1 4.38Å; L211-I215 HydrophobicContact CD2-CD1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.8Å; L211-I215 HydrophobicContact CG-CG1 4.39Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.21Å; L211-I215 PolarHBondContact O-N 2.92Å; L212-I215 PolarHBondContact O-N 2.91Å; I215-S218 WeakPolarHBondContact O-CB 3.11Å; I215-S218 PolarHBondContact O-N 3.29Å; I215-S218 PolarHBondContact O-OG 2.98Å
216F94.3Very high86.5Confident6 Ų627.1 Ų27.13%0.02618%0.175CC..Hα-helixtrans-65.6-44.4-179.9-80.2-67000112.2F39 V43 L85 C88 L89 L92 W140 M144 L212 S218 A219F39-F216 HydrophobicContact CE1-CB 4.46Å; F39-F216 WeakPolarHBondContact CE1-O 3.43Å; V43-F216 HydrophobicContact CG1-CB 4.22Å; V43-F216 HydrophobicContact CG1-CD1 4.31Å; V43-F216 HydrophobicContact CG1-CD2 3.98Å; V43-F216 HydrophobicContact CG1-CE2 4.46Å; V43-F216 HydrophobicContact CG1-CG 3.92Å; V43-F216 HydrophobicContact CG2-CB 4.42Å; L85-F216 HydrophobicContact CG-CD1 4.37Å; L85-F216 HydrophobicContact CG-CE1 4.28Å; C88-F216 HydrophobicContact CB-CE1 4.21Å; C88-F216 HydrophobicContact CB-CZ 4.19Å; L89-F216 HydrophobicContact CD2-CE1 4.33Å; L89-F216 HydrophobicContact CD2-CE2 3.96Å; L89-F216 HydrophobicContact CD2-CZ 3.66Å; L89-F216 HydrophobicContact CG-CE1 4.42Å; L89-F216 HydrophobicContact CG-CZ 4.12Å; L92-F216 HydrophobicContact CD1-CE2 4.09Å; L92-F216 HydrophobicContact CD1-CZ 4Å; W140-F216 HydrophobicContact CZ2-CD1 4.34Å; M144-F216 HydrophobicContact CE-CD1 3.8Å; M144-F216 HydrophobicContact CE-CE1 3.65Å; M144-F216 HydrophobicContact CE-CG 4.44Å; M144-F216 HydrophobicContact CE-CZ 4.18Å; L212-F216 HydrophobicContact CB-CD2 4.28Å; L212-F216 HydrophobicContact CB-CE2 4.37Å; L212-F216 HydrophobicContact CD2-CE2 4.42Å; L212-F216 WeakPolarHBondContact O-CB 3.36Å; L212-F216 WeakPolarHBondContact O-CD2 3.47Å; L212-F216 PolarHBondContact O-N 3.46Å; F216-S218 PolarHBondContact O-N 3.14Å; F216-A219 WeakPolarHBondContact O-CB 3.49Å; F216-A219 PolarHBondContact O-N 3.34Å
217S94.5Very high86.8Confident0 Ų026 Ų260%017%0.168CC..Hα-helixtrans-68.5-14.9-179.7720000113.7D213 L214 A219 I220 S221 N223D213-S217 WeakPolarHBondContact O-CB 3.31Å; D213-S217 PolarHBondContact O-N 3.12Å; D213-S217 PolarHBondContact O-OG 3.02Å; L214-S217 PolarHBondContact O-OG 3.42Å; S217-A219 PolarHBondContact O-N 2.99Å; S217-A219 VanDerWaalsContact O-N 3.09Å; S217-I220 WeakPolarHBondContact O-CG1 3.37Å; S217-I220 PolarHBondContact O-N 3.4Å; S217-S221 PolarHBondContact O-N 3.27Å; S217-S221 VanDerWaalsContact O-N 3.17Å; S217-N223 PolarHBondContact OG-ND2 2.85Å
218S94.7Very high87.6Confident0 Ų026.4 Ų26.40%016%0.16CC..THydrogen-bonded Turntrans-64.8-8172.975.70000113.9I30 W140 L214 I215 F216 I220 S221 N223I30-S218 WeakPolarHBondContact CD1-O 3.49Å; W140-S218 VanDerWaalsContact CD1-OG 3.24Å; W140-S218 PolarHBondContact NE1-OG 2.85Å; L214-S218 WeakPolarHBondContact O-CB 3.46Å; L214-S218 PolarHBondContact O-N 3.29Å; L214-S218 VanDerWaalsContact O-N 3.15Å; I215-S218 WeakPolarHBondContact O-CB 3.11Å; I215-S218 PolarHBondContact O-N 3.29Å; I215-S218 PolarHBondContact O-OG 2.98Å; F216-S218 PolarHBondContact O-N 3.14Å; S218-I220 VanDerWaalsContact C-N 3.33Å; S218-S221 VanDerWaalsContact CA-O 3.31Å; S218-S221 WeakPolarHBondContact CA-O 3.43Å; S218-N223 PolarHBondContact N-ND2 2.92Å
219A96.3Very high88.1Confident1 Ų125.7 Ų25.71%0.00816%0.155CC..THydrogen-bonded Turntrans-71.5-25.4169.500000113.3L26 F39 L137 W140 F216 S217L26-A219 HydrophobicContact CD2-CB 4.18Å; F39-A219 HydrophobicContact CZ-CB 4.18Å; L137-A219 HydrophobicContact CD2-CB 4.16Å; L137-A219 WeakPolarHBondContact CD2-O 3.4Å; W140-A219 HydrophobicContact CD2-CB 3.91Å; W140-A219 HydrophobicContact CE3-CB 4.42Å; W140-A219 HydrophobicContact CG-CB 4.36Å; W140-A219 HydrophobicContact CH2-CB 4.3Å; W140-A219 HydrophobicContact CZ2-CB 3.74Å; W140-A219 VanDerWaalsContact NE1-N 3.19Å; F216-A219 WeakPolarHBondContact O-CB 3.49Å; F216-A219 PolarHBondContact O-N 3.34Å; S217-A219 PolarHBondContact O-N 2.99Å; S217-A219 VanDerWaalsContact O-N 3.09Å
220I95.9Very high88.4Confident4 Ų422.7 Ų22.72%0.02115%0.145CC..THydrogen-bonded Turntrans-120.8-10.1-174.461.5150.9000113.5S25 L26 P31 N34 I36 F39 S217 S218S25-I220 WeakPolarHBondContact O-CG2 3.04Å; L26-I220 HydrophobicContact CD2-CG2 3.75Å; P31-I220 WeakPolarHBondContact CD-O 3.41Å; P31-I220 WeakPolarHBondContact CG-O 3.07Å; N34-I220 WeakPolarHBondContact CB-O 3.46Å; N34-I220 PolarHBondContact ND2-O 3.35Å; N34-I220 VanDerWaalsContact ND2-O 3.15Å; I36-I220 HydrophobicContact CG2-CD1 4.29Å; I36-I220 HydrophobicContact CG2-CG1 4.42Å; F39-I220 HydrophobicContact CB-CD1 3.36Å; F39-I220 HydrophobicContact CB-CG1 4.24Å; F39-I220 HydrophobicContact CD1-CD1 4.27Å; F39-I220 HydrophobicContact CD1-CG1 4.25Å; F39-I220 HydrophobicContact CD2-CB 4.49Å; F39-I220 HydrophobicContact CD2-CD1 3.89Å; F39-I220 HydrophobicContact CD2-CG1 4.11Å; F39-I220 HydrophobicContact CD2-CG2 3.62Å; F39-I220 HydrophobicContact CE2-CG2 3.51Å; F39-I220 HydrophobicContact CG-CD1 3.6Å; F39-I220 HydrophobicContact CG-CG1 3.96Å; F39-I220 HydrophobicContact CG-CG2 4.33Å; F39-I220 HydrophobicContact CZ-CG2 4.17Å; S217-I220 WeakPolarHBondContact O-CG1 3.37Å; S217-I220 PolarHBondContact O-N 3.4Å; S218-I220 VanDerWaalsContact C-N 3.33Å
221S93.2Very high88.3Confident7 Ų730 Ų305%0.04918%0.176CC..  trans-151.8138.2-177.1-173.90000109.9P31 N34 S217 S218 N223P31-S221 CarbonylContact O-C 3.53Å; P31-S221 WeakPolarHBondContact O-CA 3.21Å; N34-S221 PolarHBondContact N-OG 3.06Å; N34-S221 PolarHBondContact O-OG 3.3Å; S217-S221 PolarHBondContact O-N 3.27Å; S217-S221 VanDerWaalsContact O-N 3.17Å; S218-S221 VanDerWaalsContact CA-O 3.31Å; S218-S221 WeakPolarHBondContact CA-O 3.43Å; S221-N223 PolarHBondContact O-N 3.41Å
222S87.4Confident87.8Confident13 Ų1336 Ų369%0.09120%0.199CC..  trans-61.9-17.1176.476.60000113.6P31 N32 A224P31-S222 PolarHBondContact O-N 2.96Å; N32-S222 PolarHBondContact O-OG 3.03Å; S222-A224 PolarHBondContact O-N 2.93Å; S222-A224 PolarHBondContact OG-N 3.31Å
223N87.1Confident86.8Confident4 Ų440.7 Ų40.72%0.02122%0.219CC..  trans55.520-179-71.6-33.4000114.3I36 I188 L214 S217 S218 S221 G225 I226 L227I36-N223 WeakPolarHBondContact CG2-OD1 3.39Å; I188-N223 HydrophobicContact CD1-CB 3.31Å; I188-N223 HydrophobicContact CG1-CB 4.34Å; L214-N223 PolarHBondContact O-ND2 3.48Å; L214-N223 VanDerWaalsContact O-ND2 3.09Å; S217-N223 PolarHBondContact OG-ND2 2.85Å; S218-N223 PolarHBondContact N-ND2 2.92Å; S221-N223 PolarHBondContact O-N 3.41Å; N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 3.27Å; N223-I226 HydrophobicContact CB-CD1 3.98Å; N223-I226 WeakPolarHBondContact O-CB 3.39Å; N223-I226 PolarHBondContact O-N 3.47Å; N223-I226 VanDerWaalsContact OD1-CD1 3.31Å; N223-I226 WeakPolarHBondContact OD1-CD1 3.45Å; N223-L227 PolarHBondContact O-N 3.39Å
224A82.8Confident85.3Confident46 Ų4650 Ų5038%0.3826%0.263SS..Hα-helixtrans-53.9-46.6-172.700000113S222 I226 L227 M228S222-A224 PolarHBondContact O-N 2.93Å; S222-A224 PolarHBondContact OG-N 3.31Å; A224-I226 VanDerWaalsContact C-N 3.26Å; A224-I226 PolarHBondContact O-N 3.23Å; A224-L227 PolarHBondContact O-N 3.08Å; A224-M228 WeakPolarHBondContact O-CG 3.43Å; A224-M228 PolarHBondContact O-N 3.47Å
225G82Confident83.8Confident56 Ų5653.7 Ų53.758%0.57729%0.293SS*.Hα-helixtrans-64.4-28.9178.800000114.1N223 S229N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 3.27Å; G225-S229 PolarHBondContact O-OG 3.01Å
226I83.8Confident81.9Confident31 Ų3156.7 Ų56.716%0.15931%0.305CS..Hα-helixtrans-80.9-39.4-179.6-55.3149.6000110I36 P206 L214 N223 A224 M228 S229 C230I36-I226 HydrophobicContact CD1-CD1 3.72Å; P206-I226 HydrophobicContact CG-CG2 4.31Å; L214-I226 HydrophobicContact CD1-CG2 3.96Å; L214-I226 HydrophobicContact CD2-CB 4.5Å; L214-I226 HydrophobicContact CD2-CG2 3.59Å; L214-I226 HydrophobicContact CG-CG2 4.47Å; N223-I226 HydrophobicContact CB-CD1 3.98Å; N223-I226 WeakPolarHBondContact O-CB 3.39Å; N223-I226 PolarHBondContact O-N 3.47Å; N223-I226 VanDerWaalsContact OD1-CD1 3.31Å; N223-I226 WeakPolarHBondContact OD1-CD1 3.45Å; A224-I226 VanDerWaalsContact C-N 3.26Å; A224-I226 PolarHBondContact O-N 3.23Å; I226-M228 PolarHBondContact O-N 2.89Å; I226-S229 WeakPolarHBondContact O-CA 3.36Å; I226-S229 WeakPolarHBondContact O-CB 3.46Å; I226-S229 PolarHBondContact O-N 3.29Å; I226-C230 PolarHBondContact O-N 3.5Å; I226-C230 PolarHBondContact O-SG 3.24Å
227L84.2Confident79.9Confident17 Ų1760.3 Ų60.39%0.08933%0.325CS..Hα-helixtrans-57.1-41175.1-178.459.9000111.1N187 I188 F203 N223 A224 S229 C230N187-L227 HydrophobicContact CB-CD2 4.34Å; I188-L227 HydrophobicContact CG1-CB 4.33Å; I188-L227 HydrophobicContact CG1-CD1 4.25Å; I188-L227 HydrophobicContact CG1-CD2 4.15Å; I188-L227 HydrophobicContact CG1-CG 4.48Å; F203-L227 HydrophobicContact CD1-CD1 4.22Å; F203-L227 HydrophobicContact CE1-CD1 3.93Å; F203-L227 HydrophobicContact CZ-CD1 4.16Å; N223-L227 PolarHBondContact O-N 3.39Å; A224-L227 PolarHBondContact O-N 3.08Å; L227-S229 PolarHBondContact O-N 3.35Å; L227-C230 WeakPolarHBondContact O-CB 3.45Å; L227-C230 PolarHBondContact O-N 3.29Å; L227-C230 VanDerWaalsContact O-N 3.13Å
228M83.8Confident77.7Confident167 Ų16765.6 Ų65.682%0.82335%0.352SS*.THydrogen-bonded Turntrans-63.4-20.4175.1-64.8-60.1-71.400113.9A224 I226A224-M228 WeakPolarHBondContact O-CG 3.43Å; A224-M228 PolarHBondContact O-N 3.47Å; I226-M228 PolarHBondContact O-N 2.89Å
229S84.8Confident75.3Confident76 Ų7670 Ų7053%0.53138%0.383SS..THydrogen-bonded Turntrans-96.8-1.7179-52.70000113.1G225 I226 L227G225-S229 PolarHBondContact O-OG 3.01Å; I226-S229 WeakPolarHBondContact O-CA 3.36Å; I226-S229 WeakPolarHBondContact O-CB 3.46Å; I226-S229 PolarHBondContact O-N 3.29Å; L227-S229 PolarHBondContact O-N 3.35Å
230C83.8Confident73Confident11 Ų1173.6 Ų73.67%0.07440%0.402CS..PPolyproline II helixtrans-76.6145.9179.2-64.30000110.8F203 T204 I226 L227F203-C230 HydrophobicContact CB-CB 3.96Å; F203-C230 HydrophobicContact CD2-CB 3.68Å; F203-C230 HydrophobicContact CG-CB 3.99Å; T204-C230 WeakPolarHBondContact O-CA 3.41Å; I226-C230 PolarHBondContact O-N 3.5Å; I226-C230 PolarHBondContact O-SG 3.24Å; L227-C230 WeakPolarHBondContact O-CB 3.45Å; L227-C230 PolarHBondContact O-N 3.29Å; L227-C230 VanDerWaalsContact O-N 3.13Å
231K80.9Confident70.8Confident164 Ų16477.8 Ų77.871%0.71343%0.431SS*.EExtended strand (participates in β ladder)trans-95.2138.5176.9-62.8-178.5-179.9-179.40109.8F203 T204F203-K231 CarbonylContact C-O 3.46Å; F203-K231 VanDerWaalsContact CA-O 3.27Å; F203-K231 WeakPolarHBondContact CA-O 3.42Å; T204-K231 PolarHBondContact N-O 3.46Å; T204-K231 PolarHBondContact O-N 2.89Å
232Y74.4Confident68.7Low134 Ų13479.2 Ų79.253%0.52544%0.441SS..EExtended strand (participates in β ladder)trans-95.2132.3173.7-67.1-92.5000109.3F203F203-Y232 HydrophobicContact CB-CD1 4.08Å; F203-Y232 HydrophobicContact CB-CE1 3.99Å; F203-Y232 HydrophobicContact CD1-CE1 4.49Å
233K66.5Low67.2Low107 Ų10779.2 Ų79.247%0.46544%0.439SS..PPolyproline II helixtrans-81136.9169.8-70.2-174.3178.7179.70108.8P201P201-K233 HydrophobicContact CB-CB 4.02Å; P201-K233 HydrophobicContact CG-CB 4.2Å; P201-K233 WeakPolarHBondContact CG-O 3.37Å
234E59Low65.3Low206 Ų20684 Ų8496%0.96346%0.461SS*.SBendtrans-77-29.4-179.1-69.2-177.8168.500113
235A57.8Low63.5Low78 Ų7883.6 Ų83.665%0.64545%0.451SS*.  trans-124.5135.1-177.100000111.8
236Y52Low61.3Low63 Ų6385.7 Ų85.725%0.24745%0.449CS..  trans-88.5124.5170.4-170.2-113.9000109.4N199 P201 L238 C242N199-Y236 WeakPolarHBondContact OD1-CE1 3.44Å; P201-Y236 HydrophobicContact CB-CD2 3.9Å; Y236-L238 HydrophobicContact CD1-CD2 4.44Å; Y236-L238 HydrophobicContact CD1-CG 3.93Å; Y236-L238 HydrophobicContact CE1-CB 4.34Å; Y236-L238 HydrophobicContact CE1-CD2 3.71Å; Y236-L238 HydrophobicContact CE1-CG 3.63Å; Y236-C242 VanDerWaalsContact CE2-SG 3.57Å
237N52.4Low58.8Low82 Ų8290.5 Ų90.544%0.43947%0.471SS..  trans-104114.2165.5-173.13.2000108.5S239 D240N237-S239 PolarHBondContact ND2-OG 3.38Å; N237-S239 PolarHBondContact O-N 3.04Å; N237-S239 VanDerWaalsContact O-N 3.12Å; N237-S239 PolarHBondContact OD1-N 3.09Å; N237-S239 PolarHBondContact OD1-OG 3.12Å; N237-D240 HydrophobicContact CB-CB 4.4Å; N237-D240 PolarHBondContact ND2-OD1 3.16Å; N237-D240 WeakPolarHBondContact O-CB 3.1Å; N237-D240 PolarHBondContact O-N 3.02Å
238L48.6Very low56Low110 Ų11094 Ų9458%0.57650%0.495SS*.THydrogen-bonded Turntrans-58.2-22.2178.5-84.9147.8000113.2Y236 D240Y236-L238 HydrophobicContact CD1-CD2 4.44Å; Y236-L238 HydrophobicContact CD1-CG 3.93Å; Y236-L238 HydrophobicContact CE1-CB 4.34Å; Y236-L238 HydrophobicContact CE1-CD2 3.71Å; Y236-L238 HydrophobicContact CE1-CG 3.63Å; L238-D240 VanDerWaalsContact C-N 3.33Å
239S44.7Very low53.2Low92 Ų9292.1 Ų92.164%0.64350%0.495SS*.THydrogen-bonded Turntrans-78.8-16.1175.466.30000113.8N237 C241N237-S239 PolarHBondContact ND2-OG 3.38Å; N237-S239 PolarHBondContact O-N 3.04Å; N237-S239 VanDerWaalsContact O-N 3.12Å; N237-S239 PolarHBondContact OD1-N 3.09Å; N237-S239 PolarHBondContact OD1-OG 3.12Å; S239-C241 PolarHBondContact O-N 3.05Å
240D48.7Very low50.4Low78 Ų7894.5 Ų94.542%0.41751%0.506SS..SBendtrans-83.7109.8-179.9-68-4000108.5N237 L238 C242N237-D240 HydrophobicContact CB-CB 4.4Å; N237-D240 PolarHBondContact ND2-OD1 3.16Å; N237-D240 WeakPolarHBondContact O-CB 3.1Å; N237-D240 PolarHBondContact O-N 3.02Å; L238-D240 VanDerWaalsContact C-N 3.33Å; D240-C242 PolarHBondContact O-N 2.91Å; D240-C242 PolarHBondContact O-SG 3.17Å
241C48.1Very low47.5Very low92 Ų92102.1 Ų102.162%0.62254%0.54SS*.  trans-61.6100.9167-172.60000107.9S239 I243S239-C241 PolarHBondContact O-N 3.05Å; C241-I243 PolarHBondContact O-N 3.38Å; C241-I243 VanDerWaalsContact O-N 3.14Å
242C49.9Very low44.9Very low37 Ų3799.7 Ų99.725%0.2554%0.542CS..  trans-73.7-4.2-170.8-66.70000113.7Y202 Y236 D240 E244Y202-C242 HydrophobicContact CD2-CB 3.48Å; Y202-C242 VanDerWaalsContact CD2-CB 3.48Å; Y202-C242 HydrophobicContact CE2-CB 3.67Å; Y236-C242 VanDerWaalsContact CE2-SG 3.57Å; D240-C242 PolarHBondContact O-N 2.91Å; D240-C242 PolarHBondContact O-SG 3.17Å; C242-E244 PolarHBondContact O-N 3.48Å
243I55.2Low42.6Very low13 Ų1398.9 Ų98.97%0.06755%0.55CS.*SBendtrans-9495.1173.6-57.3-179.8000107.3L92 L95 F147 A151 L212 C241 F245L92-I243 HydrophobicContact CD2-CD1 4.46Å; L95-I243 HydrophobicContact CD1-CD1 4.33Å; F147-I243 HydrophobicContact CZ-CD1 4.01Å; F147-I243 HydrophobicContact CZ-CG1 4.41Å; A151-I243 HydrophobicContact CB-CD1 3.37Å; L212-I243 HydrophobicContact CD1-CG2 3.87Å; L212-I243 HydrophobicContact CD2-CG2 4.04Å; L212-I243 HydrophobicContact CG-CG2 4Å; C241-I243 PolarHBondContact O-N 3.38Å; C241-I243 VanDerWaalsContact O-N 3.14Å; I243-F245 HydrophobicContact CB-CE2 4.21Å; I243-F245 HydrophobicContact CG2-CD2 4.15Å; I243-F245 HydrophobicContact CG2-CE2 3.63Å; I243-F245 HydrophobicContact CG2-CZ 3.91Å; I243-F245 WeakPolarHBondContact O-CD2 3.36Å; I243-F245 PolarHBondContact O-N 2.71Å
244E48.6Very low40.6Very low103 Ų103103.3 Ų103.348%0.48157%0.57SS.*  trans-62.1108.8170.6-67.8176.7-179.700108.5C242C242-E244 PolarHBondContact O-N 3.48Å
245F44.3Very low39.4Very low39 Ų3997 Ų9717%0.17155%0.545CS..  trans-85.9127.3160-72.8-83.7000107M51 L92 L95 R96 L212 I243 E247M51-F245 HydrophobicContact CE-CD1 4.2Å; L92-F245 HydrophobicContact CB-CE1 4.08Å; L92-F245 HydrophobicContact CB-CZ 4.06Å; L92-F245 HydrophobicContact CD2-CZ 4.31Å; L92-F245 VanDerWaalsContact O-CE1 3.25Å; L92-F245 WeakPolarHBondContact O-CE1 3.23Å; L92-F245 WeakPolarHBondContact O-CZ 3.26Å; L95-F245 HydrophobicContact CB-CE2 3.71Å; L95-F245 HydrophobicContact CB-CZ 3.85Å; L95-F245 HydrophobicContact CD1-CE2 3.8Å; L95-F245 HydrophobicContact CD1-CZ 3.77Å; L95-F245 HydrophobicContact CG-CE2 4.27Å; L95-F245 HydrophobicContact CG-CZ 4.12Å; R96-F245 HydrophobicContact CG-CD1 4.43Å; R96-F245 HydrophobicContact CG-CG 4.44Å; L212-F245 HydrophobicContact CD1-CD1 4.45Å; L212-F245 HydrophobicContact CD1-CE1 4.17Å; I243-F245 HydrophobicContact CB-CE2 4.21Å; I243-F245 HydrophobicContact CG2-CD2 4.15Å; I243-F245 HydrophobicContact CG2-CE2 3.63Å; I243-F245 HydrophobicContact CG2-CZ 3.91Å; I243-F245 WeakPolarHBondContact O-CD2 3.36Å; I243-F245 PolarHBondContact O-N 2.71Å; F245-E247 PolarHBondContact O-N 3.06Å
246D36.5Very low38.3Very low99 Ų99100.5 Ų100.553%0.52955%0.553SS.*  trans-61.281.3166.2-75.9-31.2000108.1T210T210-D246 WeakPolarHBondContact CG2-OD1 3.48Å
247E30.9Very low37.5Very low133 Ų133105.9 Ų105.962%0.62158%0.58SS**  trans-66.8128.7159.9-80.5-162.1147.200107.1R96 F245R96-E247 IonicContact NH2-OE1 2.65Å; F245-E247 PolarHBondContact O-N 3.06Å
248P25.7Very low36.8Very low91 Ų91107.5 Ų107.559%0.59159%0.592SS**  trans-55.7134170.523.4-30.5000107.6V250P248-V250 PolarHBondContact O-N 2.85Å
249P24.7Very low36.1Very low126 Ų126111.8 Ų111.882%0.81861%0.606SS**  trans-59.3106.7-175.322-31.9000109.1Q251P249-Q251 PolarHBondContact O-N 2.68Å; P249-Q251 VanDerWaalsContact O-N 3.09Å
250V25.2Very low35.9Very low126 Ų126111.3 Ų111.376%0.76460%0.6SS**  trans-71105.8166.9-175.30000104.8P248 P252P248-V250 PolarHBondContact O-N 2.85Å; V250-P252 VanDerWaalsContact O-CD 3.26Å; V250-P252 WeakPolarHBondContact O-CD 3.44Å; V250-P252 VanDerWaalsContact O-N 3.07Å
251Q23.5Very low35.3Very low171 Ų171111.5 Ų111.580%0.79961%0.607SS**  trans-54.9120.1173.1-77.9-172.3-1.500107.9P249 V253P249-Q251 PolarHBondContact O-N 2.68Å; P249-Q251 VanDerWaalsContact O-N 3.09Å; Q251-V253 PolarHBondContact O-N 3.42Å
252P26.6Very low35.1Very low114 Ų114112 Ų11274%0.7461%0.609SS**  trans-61.1119.8172.922.8-29.3000107.1V250 K254V250-P252 VanDerWaalsContact O-CD 3.26Å; V250-P252 WeakPolarHBondContact O-CD 3.44Å; V250-P252 VanDerWaalsContact O-N 3.07Å; P252-K254 PolarHBondContact O-N 3.3Å
253V26Very low34.9Very low116 Ų116121 Ų12170%0.70364%0.638SS**  trans-60.7105.5169.5178.90000106Q251 V255Q251-V253 PolarHBondContact O-N 3.42Å; V253-V255 HydrophobicContact CG1-CG2 4.33Å; V253-V255 PolarHBondContact O-N 2.95Å
254K25Very low34.7Very low201 Ų201127.2 Ų127.287%0.87467%0.671SS**  trans-60.4106.6172.3-74.6-175.6177.8-179.50107.2P252P252-K254 PolarHBondContact O-N 3.3Å
255V34.1Very low35Very low73 Ų73127.9 Ų127.944%0.44267%0.673SS.*  trans-96.3120.5166.8-177.10000105.8V253 E257 T346V253-V255 HydrophobicContact CG1-CG2 4.33Å; V253-V255 PolarHBondContact O-N 2.95Å; V255-E257 PolarHBondContact O-N 3.28Å; V255-T346 HydrophobicContact CG2-CG2 3.97Å
256D33.3Very low35.7Very low152 Ų152129.1 Ų129.181%0.81368%0.684SS**  trans-48.9115.6173.9-72.2-40.9000109.3V258D256-V258 PolarHBondContact O-N 2.81Å
257E35.5Very low37.2Very low176 Ų176135.5 Ų135.582%0.82270%0.701SS**  trans-57.7114173.3-71.1-175.4164.100107.9V255 K259V255-E257 PolarHBondContact O-N 3.28Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 2.93Å
258V38.7Very low39.5Very low115 Ų115136.7 Ų136.770%0.69771%0.706SS**  trans-63.7101.7165.7179.90000105.8D256 V260D256-V258 PolarHBondContact O-N 2.81Å; V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 HydrophobicContact CG1-CG2 4.35Å; V258-V260 PolarHBondContact O-N 3.2Å
259K33.1Very low42.2Very low200 Ų200133.9 Ų133.987%0.8769%0.686SS**  trans-61.293.7175-73.1-175.5177.6179.90109.2E257E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 2.93Å
260V40.6Very low45Very low83 Ų83130.2 Ų130.250%0.50366%0.662SS.*  trans-83.2125.7166.7-176.80000107.6V258V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 HydrophobicContact CG1-CG2 4.35Å; V258-V260 PolarHBondContact O-N 3.2Å
261S35.3Very low47.8Very low81 Ų81130.4 Ų130.457%0.56667%0.67SS**  trans-50.7134.7177.9-178.70000110.9R263S261-R263 PolarHBondContact O-N 2.96Å
262P45Very low50.8Low103 Ų103124.7 Ų124.767%0.66965%0.648SS**THydrogen-bonded Turntrans-66-8.4-171.2-19.230.9000115.7
263R45Very low53.7Low226 Ų226119.7 Ų119.785%0.85362%0.615SS**THydrogen-bonded Turntrans-94.8-13.5-164.7-74.4-173.6174.8-177.6-1.4116.3S261S261-R263 PolarHBondContact O-N 2.96Å
264D50.8Low56.6Low143 Ų143117.6 Ų117.677%0.76560%0.597SS**  trans-128.846.8178-69.9-46000111.9P266D264-P266 WeakPolarHBondContact O-CD 3.43Å
265K56.1Low59.5Low118 Ų118112.5 Ų112.551%0.51358%0.58SS.*  trans-71.6111.8176.3-72.2-176.6173.7-176.70108.9R267K265-R267 PolarHBondContact O-N 2.67Å
266P59.2Low62.1Low64 Ų64110.1 Ų110.142%0.41656%0.564SS.*  trans-61.3127.4174-10.926000107.7D264 Q268 L291D264-P266 WeakPolarHBondContact O-CD 3.43Å; P266-Q268 VanDerWaalsContact C-N 3.28Å; P266-L291 HydrophobicContact CB-CD1 3.93Å; P266-L291 HydrophobicContact CB-CD2 4.11Å; P266-L291 HydrophobicContact CG-CD1 3.76Å; P266-L291 HydrophobicContact CG-CD2 4.18Å
267R67.3Low64.6Low233 Ų233102.9 Ų102.988%0.87953%0.525SS*.SBendtrans-82.5-9.1178.1-67.4-173.2-179.5-170.7-0.2113.1K265K265-R267 PolarHBondContact O-N 2.67Å
268Q78.1Confident66.9Low158 Ų15897.5 Ų97.574%0.73850%0.5SS*.SBendtrans-141.8154.8-174.5-65-178.3-2.200110P266P266-Q268 VanDerWaalsContact C-N 3.28Å
269L83.4Confident69.1Low32 Ų3296.8 Ų96.817%0.16850%0.496CS..  trans-72.2144.7171.2-66.4172.5000109.9F273 L291 L292 L295 L305 P308L269-F273 HydrophobicContact CB-CB 4.34Å; L269-F273 HydrophobicContact CB-CD2 4.36Å; L269-F273 HydrophobicContact CB-CG 4.41Å; L269-F273 HydrophobicContact CD1-CD1 4.39Å; L269-F273 HydrophobicContact CD1-CD2 4.25Å; L269-F273 HydrophobicContact CD1-CE1 4.47Å; L269-F273 HydrophobicContact CD1-CE2 4.31Å; L269-F273 HydrophobicContact CD1-CG 4.28Å; L269-F273 HydrophobicContact CD1-CZ 4.43Å; L269-F273 HydrophobicContact CD2-CD2 3.75Å; L269-F273 HydrophobicContact CD2-CE2 3.79Å; L269-F273 HydrophobicContact CG-CD2 4.35Å; L269-L291 HydrophobicContact CD2-CD2 4.04Å; L269-L291 HydrophobicContact CD2-CG 4.04Å; L269-L292 HydrophobicContact CD1-CD1 4.12Å; L269-L292 HydrophobicContact CD2-CB 4.31Å; L269-L295 HydrophobicContact CD2-CD1 3.92Å; L269-L295 HydrophobicContact CG-CD1 4.02Å; L269-L305 HydrophobicContact CD1-CD2 3.85Å; L269-L305 HydrophobicContact CG-CD2 4.16Å; L269-P308 HydrophobicContact CD1-CB 3.43Å; L269-P308 VanDerWaalsContact CD1-CB 3.43Å; L269-P308 HydrophobicContact CD1-CG 3.64Å
270P84.1Confident71.5Confident49 Ų4987.5 Ų87.532%0.31846%0.458SS..  trans-63.4147.4174.227.3-33.9000110.6C272 F273P270-C272 PolarHBondContact O-N 3.42Å; P270-C272 VanDerWaalsContact O-N 3.14Å; P270-F273 HydrophobicContact CG-CB 4.33Å; P270-F273 WeakPolarHBondContact O-CB 3.22Å; P270-F273 PolarHBondContact O-N 3.37Å
271S84Confident73.8Confident131 Ų13186.7 Ų86.792%0.91646%0.456SS*.THydrogen-bonded Turntrans-57.3-30.7178.252.50000113.2F273S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.3Å
272C84.8Confident76.4Confident51 Ų5183.6 Ų83.635%0.34543%0.432SS..THydrogen-bonded Turntrans-86.321.9174.958.10000113.8P270 N276P270-C272 PolarHBondContact O-N 3.42Å; P270-C272 VanDerWaalsContact O-N 3.14Å; C272-N276 VanDerWaalsContact O-CB 3.27Å; C272-N276 WeakPolarHBondContact O-CB 3.11Å; C272-N276 VanDerWaalsContact O-CG 3.26Å; C272-N276 PolarHBondContact O-N 2.91Å; C272-N276 PolarHBondContact O-ND2 3.05Å; C272-N276 PolarHBondContact SG-ND2 3.48Å
273F88.8Confident78.7Confident9 Ų986.1 Ų86.14%0.03943%0.433CS..Hα-helixtrans-57.3-53-177.2174.1-97.7000112.4L269 P270 S271 N276 L277 N288 L292 P308 S312L269-F273 HydrophobicContact CB-CB 4.34Å; L269-F273 HydrophobicContact CB-CD2 4.36Å; L269-F273 HydrophobicContact CB-CG 4.41Å; L269-F273 HydrophobicContact CD1-CD1 4.39Å; L269-F273 HydrophobicContact CD1-CD2 4.25Å; L269-F273 HydrophobicContact CD1-CE1 4.47Å; L269-F273 HydrophobicContact CD1-CE2 4.31Å; L269-F273 HydrophobicContact CD1-CG 4.28Å; L269-F273 HydrophobicContact CD1-CZ 4.43Å; L269-F273 HydrophobicContact CD2-CD2 3.75Å; L269-F273 HydrophobicContact CD2-CE2 3.79Å; L269-F273 HydrophobicContact CG-CD2 4.35Å; P270-F273 HydrophobicContact CG-CB 4.33Å; P270-F273 WeakPolarHBondContact O-CB 3.22Å; P270-F273 PolarHBondContact O-N 3.37Å; S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.3Å; F273-N276 PolarHBondContact O-N 3.24Å; F273-L277 HydrophobicContact CD1-CD1 4.21Å; F273-L277 HydrophobicContact CE1-CD1 3.52Å; F273-L277 HydrophobicContact CE1-CG 4.32Å; F273-L277 HydrophobicContact CE2-CD1 4.43Å; F273-L277 HydrophobicContact CZ-CD1 3.65Å; F273-L277 HydrophobicContact CZ-CG 4.27Å; F273-L277 PolarHBondContact O-N 2.86Å; F273-L277 VanDerWaalsContact O-N 3.12Å; F273-N288 HydrophobicContact CD2-CB 3.82Å; F273-N288 HydrophobicContact CE2-CB 3.73Å; F273-N288 PolarHBondContact O-ND2 3.21Å; F273-L292 HydrophobicContact CE2-CB 4.23Å; F273-L292 HydrophobicContact CZ-CB 4.2Å; F273-L292 HydrophobicContact CZ-CD2 3.96Å; F273-P308 HydrophobicContact CD1-CB 4.36Å; F273-P308 HydrophobicContact CE1-CB 3.98Å; F273-S312 WeakPolarHBondContact CE1-OG 3.41Å; F273-S312 WeakPolarHBondContact CZ-OG 3.48Å
274Q87.1Confident80.9Confident72 Ų7280.9 Ų80.934%0.33642%0.416SS..Hα-helixtrans-62.9-46.7-178.3-66.7-170.71.100111.3N276 L277 Q278 F311Q274-N276 VanDerWaalsContact C-N 3.31Å; Q274-N276 PolarHBondContact O-N 3.37Å; Q274-L277 WeakPolarHBondContact O-CB 3.41Å; Q274-L277 PolarHBondContact O-N 3.21Å; Q274-L277 VanDerWaalsContact O-N 3.15Å; Q274-Q278 PolarHBondContact O-N 2.79Å; Q274-F311 HydrophobicContact CB-CD1 4.11Å; Q274-F311 HydrophobicContact CB-CE1 3.56Å; Q274-F311 HydrophobicContact CB-CE2 4.18Å; Q274-F311 HydrophobicContact CB-CZ 3.6Å; Q274-F311 HydrophobicContact CG-CD1 3.69Å; Q274-F311 HydrophobicContact CG-CD2 4.1Å; Q274-F311 HydrophobicContact CG-CE1 3.69Å; Q274-F311 HydrophobicContact CG-CE2 4.1Å; Q274-F311 HydrophobicContact CG-CG 3.9Å; Q274-F311 HydrophobicContact CG-CZ 3.9Å
275D85.1Confident82.8Confident94 Ų9474 Ų7450%0.50338%0.379SS..Hα-helixtrans-58.1-43.2177.2-61.3-30.7000112L277 Q278 T279D275-L277 VanDerWaalsContact C-N 3.34Å; D275-L277 PolarHBondContact O-N 2.9Å; D275-Q278 PolarHBondContact O-N 3.22Å; D275-T279 WeakPolarHBondContact O-CB 3.45Å; D275-T279 PolarHBondContact O-N 3.42Å; D275-T279 PolarHBondContact O-OG1 3.06Å
276N87.9Confident84.6Confident22 Ų2269.9 Ų69.912%0.11836%0.363CS..Hα-helixtrans-68-32.1179.7-81.6-46.4000112.7C272 F273 Q274 Q278 G280 I285 N288C272-N276 VanDerWaalsContact O-CB 3.27Å; C272-N276 WeakPolarHBondContact O-CB 3.11Å; C272-N276 VanDerWaalsContact O-CG 3.26Å; C272-N276 PolarHBondContact O-N 2.91Å; C272-N276 PolarHBondContact O-ND2 3.05Å; C272-N276 PolarHBondContact SG-ND2 3.48Å; F273-N276 PolarHBondContact O-N 3.24Å; Q274-N276 VanDerWaalsContact C-N 3.31Å; Q274-N276 PolarHBondContact O-N 3.37Å; N276-Q278 VanDerWaalsContact C-N 3.32Å; N276-G280 WeakPolarHBondContact O-CA 3.43Å; N276-G280 PolarHBondContact O-N 3.2Å; N276-I285 WeakPolarHBondContact O-CG1 3.42Å; N276-N288 WeakPolarHBondContact CB-ND2 3.47Å
277L87.1Confident86.1Confident0 Ų070.4 Ų70.40%037%0.368CS..Hα-helixtrans-64.4-42172.6-70-177000110.7F273 Q274 D275 I285 N288 L289 F311 S312 I319 R322F273-L277 HydrophobicContact CD1-CD1 4.21Å; F273-L277 HydrophobicContact CE1-CD1 3.52Å; F273-L277 HydrophobicContact CE1-CG 4.32Å; F273-L277 HydrophobicContact CE2-CD1 4.43Å; F273-L277 HydrophobicContact CZ-CD1 3.65Å; F273-L277 HydrophobicContact CZ-CG 4.27Å; F273-L277 PolarHBondContact O-N 2.86Å; F273-L277 VanDerWaalsContact O-N 3.12Å; Q274-L277 WeakPolarHBondContact O-CB 3.41Å; Q274-L277 PolarHBondContact O-N 3.21Å; Q274-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 VanDerWaalsContact C-N 3.34Å; D275-L277 PolarHBondContact O-N 2.9Å; L277-I285 HydrophobicContact CD2-CG2 4.12Å; L277-N288 HydrophobicContact CD2-CB 4.2Å; L277-L289 HydrophobicContact CD1-CD2 4.47Å; L277-L289 HydrophobicContact CD2-CD2 3.71Å; L277-L289 HydrophobicContact CD2-CG 3.8Å; L277-F311 HydrophobicContact CD1-CD1 4.11Å; L277-F311 HydrophobicContact CD1-CE1 4.26Å; L277-S312 WeakPolarHBondContact CD1-OG 3.18Å; L277-I319 HydrophobicContact CB-CD1 4.06Å; L277-I319 HydrophobicContact CD2-CD1 4.4Å; L277-R322 PolarHBondContact O-NH2 2.94Å
278Q82.7Confident87.3Confident63 Ų6359.9 Ų59.929%0.29433%0.329SS..Hα-helixtrans-77.7-38.2-177.4-68.2-178.1-34.600113.8Q274 D275 N276 F311 F318 R322Q274-Q278 PolarHBondContact O-N 2.79Å; D275-Q278 PolarHBondContact O-N 3.22Å; N276-Q278 VanDerWaalsContact C-N 3.32Å; Q278-F311 HydrophobicContact CG-CZ 4.26Å; Q278-F318 HydrophobicContact CB-CE1 4.15Å; Q278-F318 HydrophobicContact CG-CE1 4.36Å; Q278-R322 WeakPolarHBondContact O-CD 3.39Å; Q278-R322 PolarHBondContact O-NE 3.41Å; Q278-R322 PolarHBondContact O-NH2 2.89Å
279T84.9Confident88.1Confident100 Ų10052.4 Ų52.461%0.61329%0.294SS*.Hα-helixtrans-120-18.3-168.966.90000114D275 R322D275-T279 WeakPolarHBondContact O-CB 3.45Å; D275-T279 PolarHBondContact O-N 3.42Å; D275-T279 PolarHBondContact O-OG1 3.06Å; T279-R322 PolarHBondContact O-NH1 3.23Å
280G84.2Confident88.5Confident6 Ų653.1 Ų53.16%0.06230%0.302CS..  trans-63.9164.1-173.700000114.1N276 R322N276-G280 WeakPolarHBondContact O-CA 3.43Å; N276-G280 PolarHBondContact O-N 3.2Å; G280-R322 PolarHBondContact O-NH1 3.4Å; G280-R322 VanDerWaalsContact O-NH1 3.08Å; G280-R322 PolarHBondContact O-NH2 3.28Å
281S89.5Confident88.8Confident65 Ų6551.6 Ų51.646%0.45529%0.291SS..  trans-70.5164.517166.80000111.3K283 K284 I285S281-K283 PolarHBondContact O-N 2.91Å; S281-K283 VanDerWaalsContact O-N 3.14Å; S281-K284 PolarHBondContact O-N 3.47Å; S281-K284 PolarHBondContact OG-N 3.2Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.24Å
282F90Very high89.1Confident17 Ų1745.4 Ų45.48%0.07525%0.247CC..Hα-helixtrans-46-46174.2-73.9-99.6000112.5I285 L286 L323 C326 L327 N337 L340 Y341 I344F282-I285 PolarHBondContact O-N 3.45Å; F282-L286 WeakPolarHBondContact O-CB 3.49Å; F282-L286 PolarHBondContact O-N 3.31Å; F282-L323 HydrophobicContact CD1-CB 4.44Å; F282-L323 HydrophobicContact CD1-CD1 4.15Å; F282-L323 HydrophobicContact CD1-CD2 3.74Å; F282-L323 HydrophobicContact CD1-CG 4.32Å; F282-L323 HydrophobicContact CD2-CD2 3.86Å; F282-L323 HydrophobicContact CE1-CB 3.67Å; F282-L323 HydrophobicContact CE1-CD1 4.15Å; F282-L323 HydrophobicContact CE1-CD2 3.67Å; F282-L323 HydrophobicContact CE1-CG 4.02Å; F282-L323 HydrophobicContact CE2-CD2 3.78Å; F282-L323 HydrophobicContact CG-CD2 3.83Å; F282-L323 HydrophobicContact CZ-CB 3.81Å; F282-L323 HydrophobicContact CZ-CD2 3.69Å; F282-L323 HydrophobicContact CZ-CG 4.29Å; F282-L323 WeakPolarHBondContact CZ-O 3.48Å; F282-C326 HydrophobicContact CE2-CB 4.03Å; F282-C326 HydrophobicContact CZ-CB 4.24Å; F282-L327 HydrophobicContact CE1-CD2 4.32Å; F282-L327 HydrophobicContact CE1-CG 4.38Å; F282-L327 HydrophobicContact CZ-CD2 3.97Å; F282-L327 HydrophobicContact CZ-CG 4Å; F282-N337 HydrophobicContact CD2-CB 4.42Å; F282-N337 HydrophobicContact CE1-CB 4.39Å; F282-N337 HydrophobicContact CE2-CB 4.28Å; F282-N337 HydrophobicContact CZ-CB 4.26Å; F282-L340 HydrophobicContact CB-CB 3.91Å; F282-L340 HydrophobicContact CB-CD1 3.73Å; F282-L340 HydrophobicContact CB-CG 4.44Å; F282-L340 HydrophobicContact CD1-CB 4.06Å; F282-L340 HydrophobicContact CG-CB 4.39Å; F282-Y341 HydrophobicContact CE1-CD2 4.38Å; F282-I344 HydrophobicContact CD1-CD1 4.31Å
283K91.9Very high89.3Confident156 Ų15646.2 Ų46.268%0.67825%0.245SC*.Hα-helixtrans-63.7-42.5178.9-68.1-175.3178.4-179.10112.7S281 S287 L340S281-K283 PolarHBondContact O-N 2.91Å; S281-K283 VanDerWaalsContact O-N 3.14Å; K283-S287 WeakPolarHBondContact O-CB 3.45Å; K283-S287 PolarHBondContact O-N 2.86Å; K283-L340 HydrophobicContact CG-CD1 3.81Å
284K91.3Very high89.2Confident115 Ų11548.7 Ų48.750%0.526%0.257SS..Hα-helixtrans-66-44.6179-73.9-174.1174.5-173.60111.7S281 S287 N288S281-K284 PolarHBondContact O-N 3.47Å; S281-K284 PolarHBondContact OG-N 3.2Å; K284-S287 PolarHBondContact O-N 3.09Å; K284-N288 PolarHBondContact O-N 3.32Å
285I91.5Very high89.2Confident0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-61.2-49.6177.6-61.8167.1000110.2N276 L277 S281 F282 S287 N288 L289 I319 L323 I344N276-I285 WeakPolarHBondContact O-CG1 3.42Å; L277-I285 HydrophobicContact CD2-CG2 4.12Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.24Å; F282-I285 PolarHBondContact O-N 3.45Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.46Å; I285-N288 PolarHBondContact O-N 3.02Å; I285-L289 HydrophobicContact CG2-CD1 3.81Å; I285-L289 HydrophobicContact CG2-CG 4.32Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 3.43Å; I285-I319 HydrophobicContact CD1-CG2 4.26Å; I285-I319 HydrophobicContact CG2-CG2 3.96Å; I285-L323 HydrophobicContact CD1-CD1 4.01Å; I285-L323 HydrophobicContact CD1-CD2 3.6Å; I285-L323 HydrophobicContact CD1-CG 4.07Å; I285-I344 HydrophobicContact CB-CD1 4.09Å; I285-I344 HydrophobicContact CG2-CD1 3.99Å; I285-I344 HydrophobicContact CG2-CG1 4.27Å; I285-I344 HydrophobicContact CG2-CG2 4.12Å
286L93.4Very high89.2Confident31 Ų3141.6 Ų41.616%0.16222%0.221CC..Hα-helixtrans-59.3-44.8179.3-179.462.9000111.6F282 N288 S290 L340 K343 I344 L347F282-L286 WeakPolarHBondContact O-CB 3.49Å; F282-L286 PolarHBondContact O-N 3.31Å; L286-N288 PolarHBondContact O-N 3.39Å; L286-S290 VanDerWaalsContact O-CB 3.25Å; L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.39Å; L286-S290 PolarHBondContact O-OG 3.48Å; L286-L340 HydrophobicContact CD2-CD2 3.47Å; L286-L340 VanDerWaalsContact CD2-CD2 3.47Å; L286-K343 HydrophobicContact CD1-CB 3.89Å; L286-K343 HydrophobicContact CD2-CB 4.27Å; L286-K343 HydrophobicContact CD2-CD 4.27Å; L286-I344 HydrophobicContact CB-CD1 4.28Å; L286-I344 HydrophobicContact CB-CG1 3.91Å; L286-I344 HydrophobicContact CD1-CG1 4.07Å; L286-L347 HydrophobicContact CD1-CD2 4.05Å
287S91.7Very high88.6Confident75 Ų7543.5 Ų43.552%0.52425%0.246SC..Hα-helixtrans-59-46.1176.7-170.80000112.1K283 K284 I285 S290 L291K283-S287 WeakPolarHBondContact O-CB 3.45Å; K283-S287 PolarHBondContact O-N 2.86Å; K284-S287 PolarHBondContact O-N 3.09Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.46Å; S287-S290 PolarHBondContact O-N 3.23Å; S287-L291 WeakPolarHBondContact O-CB 3.41Å; S287-L291 PolarHBondContact O-N 3.32Å
288N92.4Very high87.9Confident12 Ų1248 Ų486%0.06427%0.27CS..Hα-helixtrans-65.9-47.2-179.5-81.311.1000112.4F273 N276 L277 K284 I285 L286 S290 L291 L292F273-N288 HydrophobicContact CD2-CB 3.82Å; F273-N288 HydrophobicContact CE2-CB 3.73Å; F273-N288 PolarHBondContact O-ND2 3.21Å; N276-N288 WeakPolarHBondContact CB-ND2 3.47Å; L277-N288 HydrophobicContact CD2-CB 4.2Å; K284-N288 PolarHBondContact O-N 3.32Å; I285-N288 PolarHBondContact O-N 3.02Å; L286-N288 PolarHBondContact O-N 3.39Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 3.24Å; N288-L291 PolarHBondContact O-N 3.49Å; N288-L292 PolarHBondContact O-N 2.89Å
289L93.5Very high86.7Confident0 Ų049.8 Ų49.80%029%0.289CS..Hα-helixtrans-64.2-35.6177.7-68.3175.4000111.7L277 I285 L292 K293 I344 L347 L348 L351L277-L289 HydrophobicContact CD1-CD2 4.47Å; L277-L289 HydrophobicContact CD2-CD2 3.71Å; L277-L289 HydrophobicContact CD2-CG 3.8Å; I285-L289 HydrophobicContact CG2-CD1 3.81Å; I285-L289 HydrophobicContact CG2-CG 4.32Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 3.43Å; L289-L292 PolarHBondContact O-N 3.45Å; L289-K293 PolarHBondContact O-N 3.35Å; L289-I344 HydrophobicContact CD1-CG2 3.9Å; L289-L347 HydrophobicContact CB-CD2 3.42Å; L289-L347 VanDerWaalsContact CB-CD2 3.42Å; L289-L347 HydrophobicContact CB-CG 4.07Å; L289-L348 HydrophobicContact CD1-CD1 4.34Å; L289-L348 HydrophobicContact CD1-CD2 3.72Å; L289-L348 HydrophobicContact CD1-CG 3.81Å; L289-L348 HydrophobicContact CD2-CD2 3.76Å; L289-L348 HydrophobicContact CG-CD2 4.41Å; L289-L351 HydrophobicContact CD2-CD1 4.03Å
290S92.2Very high85.7Confident47 Ų4752.6 Ų52.633%0.32930%0.301SS..Hα-helixtrans-68.9-41.4178.7-58.70000110.5L286 S287 N288 K293 Q294 L347L286-S290 VanDerWaalsContact O-CB 3.25Å; L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.39Å; L286-S290 PolarHBondContact O-OG 3.48Å; S287-S290 PolarHBondContact O-N 3.23Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 3.24Å; S290-K293 PolarHBondContact O-N 2.96Å; S290-Q294 WeakPolarHBondContact O-CB 3.21Å; S290-Q294 PolarHBondContact O-N 3.3Å; S290-L347 WeakPolarHBondContact OG-CD2 3.25Å
291L90.4Very high84.6Confident18 Ų1853.4 Ų53.49%0.09431%0.306CS..Hα-helixtrans-62.1-45.5173.5-178.861.4000111.4P266 L269 S287 N288 K293 Q294 L295P266-L291 HydrophobicContact CB-CD1 3.93Å; P266-L291 HydrophobicContact CB-CD2 4.11Å; P266-L291 HydrophobicContact CG-CD1 3.76Å; P266-L291 HydrophobicContact CG-CD2 4.18Å; L269-L291 HydrophobicContact CD2-CD2 4.04Å; L269-L291 HydrophobicContact CD2-CG 4.04Å; S287-L291 WeakPolarHBondContact O-CB 3.41Å; S287-L291 PolarHBondContact O-N 3.32Å; N288-L291 PolarHBondContact O-N 3.49Å; L291-K293 PolarHBondContact O-N 2.98Å; L291-Q294 PolarHBondContact O-N 3.38Å; L291-L295 HydrophobicContact CD1-CD1 4.07Å; L291-L295 HydrophobicContact CD1-CG 4.08Å; L291-L295 HydrophobicContact CG-CD1 3.94Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 WeakPolarHBondContact O-CB 3.42Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.87Å
292L90.9Very high83.6Confident0 Ų052.9 Ų52.90%030%0.296CS..Hα-helixtrans-56.7-50.9175.417564.2000111.1L269 F273 N288 L289 Q294 L295 L296 L305 P308 L309 S312 L351L269-L292 HydrophobicContact CD1-CD1 4.12Å; L269-L292 HydrophobicContact CD2-CB 4.31Å; F273-L292 HydrophobicContact CE2-CB 4.23Å; F273-L292 HydrophobicContact CZ-CB 4.2Å; F273-L292 HydrophobicContact CZ-CD2 3.96Å; N288-L292 PolarHBondContact O-N 2.89Å; L289-L292 PolarHBondContact O-N 3.45Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.02Å; L292-L295 PolarHBondContact O-N 3.27Å; L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CG 4.17Å; L292-L296 HydrophobicContact CG-CD1 3.92Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 2.91Å; L292-L305 HydrophobicContact CD1-CD2 4.45Å; L292-P308 HydrophobicContact CD1-CB 4.2Å; L292-L309 HydrophobicContact CD2-CD1 4.45Å; L292-S312 WeakPolarHBondContact CD2-OG 3.38Å; L292-L351 HydrophobicContact CD2-CD1 4.04Å; L292-L351 HydrophobicContact CD2-CD2 4.47Å; L292-L351 HydrophobicContact CG-CD2 4.49Å
293K89Confident82.8Confident68 Ų6859 Ų5930%0.29633%0.33SS..Hα-helixtrans-59.9-42.8178.6-174.8176.4177.1-161.70112.1L289 S290 L291 L296 G297 L347 L351L289-K293 PolarHBondContact O-N 3.35Å; S290-K293 PolarHBondContact O-N 2.96Å; L291-K293 PolarHBondContact O-N 2.98Å; K293-L296 PolarHBondContact O-N 3.42Å; K293-G297 PolarHBondContact O-N 3.34Å; K293-L347 HydrophobicContact CB-CD1 4.07Å; K293-L347 HydrophobicContact CD-CD1 3.32Å; K293-L347 HydrophobicContact CG-CD1 4.31Å; K293-L351 HydrophobicContact CB-CD2 3.98Å; K293-L351 HydrophobicContact CG-CD2 4.33Å
294Q87.3Confident82.3Confident61 Ų6155.9 Ų55.929%0.28533%0.327SS..Hα-helixtrans-62.9-42.6177.8-175.3-173.8-23.400111.8S290 L291 L292 G297S290-Q294 WeakPolarHBondContact O-CB 3.21Å; S290-Q294 PolarHBondContact O-N 3.3Å; L291-Q294 PolarHBondContact O-N 3.38Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.02Å; Q294-G297 PolarHBondContact O-N 3.36Å
295L86.8Confident82Confident8 Ų851 Ų514%0.04231%0.306CS..Hα-helixtrans-69.5-33.3179.2-71.4175.6000112.4L269 L291 L292 G297 N298 S301 L305L269-L295 HydrophobicContact CD2-CD1 3.92Å; L269-L295 HydrophobicContact CG-CD1 4.02Å; L291-L295 HydrophobicContact CD1-CD1 4.07Å; L291-L295 HydrophobicContact CD1-CG 4.08Å; L291-L295 HydrophobicContact CG-CD1 3.94Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 WeakPolarHBondContact O-CB 3.42Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.87Å; L292-L295 PolarHBondContact O-N 3.27Å; L295-G297 PolarHBondContact O-N 2.82Å; L295-N298 PolarHBondContact O-N 2.85Å; L295-S301 PolarHBondContact O-OG 3.37Å; L295-L305 VanDerWaalsContact C-CD1 3.48Å; L295-L305 HydrophobicContact CB-CD1 3.55Å; L295-L305 HydrophobicContact CB-CD2 4.3Å; L295-L305 HydrophobicContact CD1-CD2 4.26Å; L295-L305 WeakPolarHBondContact O-CD1 3.4Å
296L83.7Confident81.6Confident9 Ų953.4 Ų53.45%0.04732%0.319CS..Hα-helixtrans-68.5-21.2174-73167.8000113.2L292 K293 N298 L305 L309 L351L292-L296 HydrophobicContact CD1-CD1 3.99Å; L292-L296 HydrophobicContact CD1-CG 4.17Å; L292-L296 HydrophobicContact CG-CD1 3.92Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 2.91Å; K293-L296 PolarHBondContact O-N 3.42Å; L296-N298 PolarHBondContact O-N 3.09Å; L296-L305 HydrophobicContact CD2-CB 3.72Å; L296-L305 HydrophobicContact CD2-CD1 4.07Å; L296-L305 HydrophobicContact CG-CB 4.46Å; L296-L305 HydrophobicContact CG-CD1 4.26Å; L296-L309 HydrophobicContact CD1-CB 4.49Å; L296-L309 HydrophobicContact CD1-CD1 3.96Å; L296-L309 HydrophobicContact CD1-CD2 4.13Å; L296-L309 HydrophobicContact CD1-CG 4.42Å; L296-L309 HydrophobicContact CD2-CD2 4.33Å; L296-L351 HydrophobicContact CD1-CD2 3.75Å
297G76.4Confident81.2Confident63 Ų6358.7 Ų58.765%0.64934%0.343SS*.THydrogen-bonded Turntrans-72.7-9.9173.800000114.3K293 Q294 L295K293-G297 PolarHBondContact O-N 3.34Å; Q294-G297 PolarHBondContact O-N 3.36Å; L295-G297 PolarHBondContact O-N 2.82Å
298N71.7Confident81.1Confident93 Ų9356.1 Ų56.150%0.49732%0.324SS..SBendtrans-99.7126.3175.7-61.9-29.4000109.8L295 L296 D300 S301L295-N298 PolarHBondContact O-N 2.85Å; L296-N298 PolarHBondContact O-N 3.09Å; N298-D300 PolarHBondContact O-N 2.86Å; N298-S301 PolarHBondContact O-N 3.33Å; N298-S301 PolarHBondContact O-OG 3.1Å
299S58.2Low80.9Confident101 Ų10155.6 Ų55.671%0.70632%0.322SS*.G310 helixtrans-57.1-35.3-175.549.20000113.9S301S299-S301 VanDerWaalsContact C-N 3.25Å; S299-S301 PolarHBondContact O-N 3.3Å
300D64.2Low80.4Confident159 Ų15956.2 Ų56.285%0.8533%0.325SS*.G310 helixtrans-76.1-13.1-166.2-56.4-14.2000113.3N298N298-D300 PolarHBondContact O-N 2.86Å
301S61.4Low80.2Confident24 Ų2455.5 Ų55.517%0.16832%0.316CS..G310 helixtrans-112.75.5-174.245.10000115.2L295 N298 S299 N303 S304 L305L295-S301 PolarHBondContact O-OG 3.37Å; N298-S301 PolarHBondContact O-N 3.33Å; N298-S301 PolarHBondContact O-OG 3.1Å; S299-S301 VanDerWaalsContact C-N 3.25Å; S299-S301 PolarHBondContact O-N 3.3Å; S301-N303 PolarHBondContact O-N 2.95Å; S301-S304 PolarHBondContact O-N 2.82Å; S301-S304 PolarHBondContact O-OG 3.48Å; S301-S304 VanDerWaalsContact O-OG 3.09Å; S301-L305 WeakPolarHBondContact O-CB 3.22Å; S301-L305 WeakPolarHBondContact O-CD1 3.41Å; S301-L305 WeakPolarHBondContact O-CG 3.45Å; S301-L305 PolarHBondContact O-N 3.49Å
302H68.2Low80.1Confident54 Ų5454.6 Ų54.625%0.2531%0.311CS..Hα-helixtrans-57.8-46.7-171.6-162.1-81000113.2S304 L305 L306 D358H302-S304 PolarHBondContact O-N 2.92Å; H302-L305 PolarHBondContact O-N 2.83Å; H302-L306 PolarHBondContact O-N 3.24Å; H302-D358 IonicContact CD2-OD2 2.63Å; H302-D358 IonicContact CE1-OD2 3.58Å; H302-D358 IonicContact NE2-OD2 3.79Å; H302-D358 PolarHBondContact NE2-OD2 2.72Å
303N72.8Confident79.9Confident146 Ų14654.6 Ų54.678%0.78131%0.311SS*.Hα-helixtrans-66-39.1-178.7-75.1-22.1000113.8S301 L305 L306S301-N303 PolarHBondContact O-N 2.95Å; N303-L305 VanDerWaalsContact C-N 3.27Å; N303-L305 PolarHBondContact O-N 3.39Å; N303-L306 WeakPolarHBondContact O-CB 3.41Å; N303-L306 PolarHBondContact O-N 3.38Å
304S80.4Confident79.5Confident90 Ų9057.2 Ų57.263%0.62932%0.319SS*.Hα-helixtrans-75.2-19.4-179.259.30000112.8S301 H302S301-S304 PolarHBondContact O-N 2.82Å; S301-S304 PolarHBondContact O-OG 3.48Å; S301-S304 VanDerWaalsContact O-OG 3.09Å; H302-S304 PolarHBondContact O-N 2.92Å
305L85.9Confident79.2Confident11 Ų1156.4 Ų56.46%0.05832%0.315CS..Hα-helixtrans-94.8-6.1178.7-63.1170.8000113.4L269 L292 L295 L296 S301 H302 N303 E307 P308 L309L269-L305 HydrophobicContact CD1-CD2 3.85Å; L269-L305 HydrophobicContact CG-CD2 4.16Å; L292-L305 HydrophobicContact CD1-CD2 4.45Å; L295-L305 VanDerWaalsContact C-CD1 3.48Å; L295-L305 HydrophobicContact CB-CD1 3.55Å; L295-L305 HydrophobicContact CB-CD2 4.3Å; L295-L305 HydrophobicContact CD1-CD2 4.26Å; L295-L305 WeakPolarHBondContact O-CD1 3.4Å; L296-L305 HydrophobicContact CD2-CB 3.72Å; L296-L305 HydrophobicContact CD2-CD1 4.07Å; L296-L305 HydrophobicContact CG-CB 4.46Å; L296-L305 HydrophobicContact CG-CD1 4.26Å; S301-L305 WeakPolarHBondContact O-CB 3.22Å; S301-L305 WeakPolarHBondContact O-CD1 3.41Å; S301-L305 WeakPolarHBondContact O-CG 3.45Å; S301-L305 PolarHBondContact O-N 3.49Å; H302-L305 PolarHBondContact O-N 2.83Å; N303-L305 VanDerWaalsContact C-N 3.27Å; N303-L305 PolarHBondContact O-N 3.39Å; L305-E307 PolarHBondContact O-N 3.4Å; L305-P308 WeakPolarHBondContact O-CD 3.21Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.05Å
306L83Confident79.1Confident51 Ų5156 Ų5627%0.26731%0.313SS..Hα-helixtrans-58-51.5-178.2-167.973.3000111.5H302 N303 L309 I310 T360H302-L306 PolarHBondContact O-N 3.24Å; N303-L306 WeakPolarHBondContact O-CB 3.41Å; N303-L306 PolarHBondContact O-N 3.38Å; L306-L309 WeakPolarHBondContact O-CB 3.45Å; L306-L309 PolarHBondContact O-N 3.29Å; L306-I310 HydrophobicContact CG-CG1 4.41Å; L306-I310 WeakPolarHBondContact O-CB 3.48Å; L306-I310 WeakPolarHBondContact O-CG1 3.34Å; L306-I310 PolarHBondContact O-N 3.28Å; L306-T360 HydrophobicContact CD1-CG2 3.36Å; L306-T360 WeakPolarHBondContact CD1-OG1 3.36Å; L306-T360 HydrophobicContact CG-CG2 4.35Å
307E85.6Confident78.7Confident142 Ų14257.1 Ų57.166%0.66432%0.321SS*.Hα-helixtrans-62.1-47.8-179.9177.7-174.1-162.800112.4L305 L309 I310 F311L305-E307 PolarHBondContact O-N 3.4Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.32Å; E307-I310 PolarHBondContact O-N 3.48Å; E307-F311 WeakPolarHBondContact O-CB 3.47Å; E307-F311 PolarHBondContact O-N 3.4Å
308P88.2Confident78.9Confident21 Ų2158.8 Ų58.814%0.13631%0.311CS..Hα-helixtrans-55.7-39.5170.6-28.132.5000114.9L269 F273 L292 L305 S312L269-P308 HydrophobicContact CD1-CB 3.43Å; L269-P308 VanDerWaalsContact CD1-CB 3.43Å; L269-P308 HydrophobicContact CD1-CG 3.64Å; F273-P308 HydrophobicContact CD1-CB 4.36Å; F273-P308 HydrophobicContact CE1-CB 3.98Å; L292-P308 HydrophobicContact CD1-CB 4.2Å; L305-P308 WeakPolarHBondContact O-CD 3.21Å; P308-S312 WeakPolarHBondContact O-CB 3.39Å; P308-S312 PolarHBondContact O-N 3.03Å; P308-S312 PolarHBondContact O-OG 3.43Å
309L88.7Confident79.4Confident1 Ų154.4 Ų54.41%0.00529%0.287CS..Hα-helixtrans-63.7-52.9175.5174.760.3000110.5L292 L296 L305 L306 E307 F311 S312 L313 L351 A355 T360L292-L309 HydrophobicContact CD2-CD1 4.45Å; L296-L309 HydrophobicContact CD1-CB 4.49Å; L296-L309 HydrophobicContact CD1-CD1 3.96Å; L296-L309 HydrophobicContact CD1-CD2 4.13Å; L296-L309 HydrophobicContact CD1-CG 4.42Å; L296-L309 HydrophobicContact CD2-CD2 4.33Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.05Å; L306-L309 WeakPolarHBondContact O-CB 3.45Å; L306-L309 PolarHBondContact O-N 3.29Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.32Å; L309-F311 VanDerWaalsContact C-N 3.3Å; L309-F311 PolarHBondContact O-N 3.49Å; L309-S312 WeakPolarHBondContact O-CB 3.35Å; L309-S312 PolarHBondContact O-N 3.26Å; L309-S312 VanDerWaalsContact O-N 3.1Å; L309-L313 HydrophobicContact CD1-CD1 3.83Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 4.04Å; L309-L313 HydrophobicContact CG-CD1 3.86Å; L309-L313 HydrophobicContact CG-CG 4.46Å; L309-L313 VanDerWaalsContact O-CG 3.22Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.95Å; L309-L351 HydrophobicContact CD1-CB 4.2Å; L309-L351 HydrophobicContact CD1-CD2 4.14Å; L309-A355 HydrophobicContact CD1-CB 4.49Å; L309-A355 HydrophobicContact CD2-CB 4.11Å; L309-A355 HydrophobicContact CG-CB 4.46Å; L309-T360 HydrophobicContact CD2-CG2 4.23Å
310I84.3Confident80.7Confident13 Ų1350.2 Ų50.27%0.06726%0.257CS..Hα-helixtrans-54.3-46.2176.7-68.3-63.1000111.1L306 E307 L313 R314 T360 N364 F365L306-I310 HydrophobicContact CG-CG1 4.41Å; L306-I310 WeakPolarHBondContact O-CB 3.48Å; L306-I310 WeakPolarHBondContact O-CG1 3.34Å; L306-I310 PolarHBondContact O-N 3.28Å; E307-I310 PolarHBondContact O-N 3.48Å; I310-L313 PolarHBondContact O-N 3.49Å; I310-R314 PolarHBondContact O-N 3.01Å; I310-T360 HydrophobicContact CD1-CG2 3.37Å; I310-T360 HydrophobicContact CG1-CG2 4.08Å; I310-N364 HydrophobicContact CD1-CB 3.45Å; I310-N364 VanDerWaalsContact CD1-CB 3.45Å; I310-N364 HydrophobicContact CG1-CB 4.26Å; I310-F365 HydrophobicContact CB-CE2 4.23Å; I310-F365 HydrophobicContact CB-CZ 4.37Å; I310-F365 HydrophobicContact CD1-CD2 3.95Å; I310-F365 HydrophobicContact CD1-CE2 3.35Å; I310-F365 HydrophobicContact CD1-CZ 4.27Å; I310-F365 HydrophobicContact CG1-CE2 4.34Å; I310-F365 HydrophobicContact CG2-CE2 3.77Å; I310-F365 HydrophobicContact CG2-CZ 3.57Å; I310-F365 WeakPolarHBondContact O-CZ 3.48Å
311F86.6Confident81.4Confident32 Ų3249 Ų4914%0.1424%0.244CC..Hα-helixtrans-61.1-47176.8-177.9-87.6000111.7Q274 L277 Q278 E307 L309 L313 R314 Q315Q274-F311 HydrophobicContact CB-CD1 4.11Å; Q274-F311 HydrophobicContact CB-CE1 3.56Å; Q274-F311 HydrophobicContact CB-CE2 4.18Å; Q274-F311 HydrophobicContact CB-CZ 3.6Å; Q274-F311 HydrophobicContact CG-CD1 3.69Å; Q274-F311 HydrophobicContact CG-CD2 4.1Å; Q274-F311 HydrophobicContact CG-CE1 3.69Å; Q274-F311 HydrophobicContact CG-CE2 4.1Å; Q274-F311 HydrophobicContact CG-CG 3.9Å; Q274-F311 HydrophobicContact CG-CZ 3.9Å; L277-F311 HydrophobicContact CD1-CD1 4.11Å; L277-F311 HydrophobicContact CD1-CE1 4.26Å; Q278-F311 HydrophobicContact CG-CZ 4.26Å; E307-F311 WeakPolarHBondContact O-CB 3.47Å; E307-F311 PolarHBondContact O-N 3.4Å; L309-F311 VanDerWaalsContact C-N 3.3Å; L309-F311 PolarHBondContact O-N 3.49Å; F311-L313 VanDerWaalsContact C-N 3.3Å; F311-L313 PolarHBondContact O-N 3.41Å; F311-R314 WeakPolarHBondContact O-CB 3.17Å; F311-R314 PolarHBondContact O-N 3.03Å; F311-Q315 HydrophobicContact CD1-CG 4.06Å; F311-Q315 HydrophobicContact CE1-CB 4.47Å; F311-Q315 HydrophobicContact CE1-CG 3.65Å; F311-Q315 HydrophobicContact CE2-CG 4.18Å; F311-Q315 HydrophobicContact CG-CG 4.49Å; F311-Q315 HydrophobicContact CZ-CG 3.72Å; F311-Q315 WeakPolarHBondContact O-CB 3.41Å; F311-Q315 WeakPolarHBondContact O-CG 3.34Å; F311-Q315 PolarHBondContact O-N 3.46Å
312S88.9Confident82.5Confident0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-58.7-45178.7-58.10000111F273 L277 L292 P308 L309 Q315 S316F273-S312 WeakPolarHBondContact CE1-OG 3.41Å; F273-S312 WeakPolarHBondContact CZ-OG 3.48Å; L277-S312 WeakPolarHBondContact CD1-OG 3.18Å; L292-S312 WeakPolarHBondContact CD2-OG 3.38Å; P308-S312 WeakPolarHBondContact O-CB 3.39Å; P308-S312 PolarHBondContact O-N 3.03Å; P308-S312 PolarHBondContact O-OG 3.43Å; L309-S312 WeakPolarHBondContact O-CB 3.35Å; L309-S312 PolarHBondContact O-N 3.26Å; L309-S312 VanDerWaalsContact O-N 3.1Å; S312-Q315 PolarHBondContact O-N 3Å; S312-S316 PolarHBondContact O-N 2.76Å; S312-S316 PolarHBondContact O-OG 3.24Å
313L86Confident83.3Confident0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-62.5-46.8178.6-63170.2000111.5L309 I310 F311 Q315 S316 L351 W352 A355 L361 F365L309-L313 HydrophobicContact CD1-CD1 3.83Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 4.04Å; L309-L313 HydrophobicContact CG-CD1 3.86Å; L309-L313 HydrophobicContact CG-CG 4.46Å; L309-L313 VanDerWaalsContact O-CG 3.22Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.95Å; I310-L313 PolarHBondContact O-N 3.49Å; F311-L313 VanDerWaalsContact C-N 3.3Å; F311-L313 PolarHBondContact O-N 3.41Å; L313-Q315 VanDerWaalsContact C-N 3.3Å; L313-Q315 PolarHBondContact O-N 3.39Å; L313-S316 VanDerWaalsContact CA-OG 3.29Å; L313-S316 WeakPolarHBondContact CA-OG 3.39Å; L313-S316 WeakPolarHBondContact O-CB 3.49Å; L313-S316 PolarHBondContact O-N 2.91Å; L313-S316 PolarHBondContact O-OG 2.99Å; L313-L351 HydrophobicContact CD2-CB 4.2Å; L313-W352 HydrophobicContact CB-CH2 4.45Å; L313-W352 HydrophobicContact CB-CZ2 3.98Å; L313-W352 HydrophobicContact CD2-CB 4.21Å; L313-W352 HydrophobicContact CD2-CD2 3.69Å; L313-W352 HydrophobicContact CD2-CE3 4.43Å; L313-W352 HydrophobicContact CD2-CG 3.57Å; L313-W352 HydrophobicContact CD2-CZ2 4.48Å; L313-W352 WeakPolarHBondContact O-CZ2 3.45Å; L313-A355 HydrophobicContact CD1-CB 3.45Å; L313-A355 VanDerWaalsContact CD1-CB 3.45Å; L313-L361 HydrophobicContact CD1-CD2 3.73Å; L313-F365 HydrophobicContact CB-CE2 4.42Å
314R80.5Confident83.7Confident122 Ų12245.6 Ų45.646%0.4621%0.214SC..Hα-helixtrans-52.5-46.8172.3-86.5162.4-161.1-168.12.7112.7I310 F311 S316 P317 N364 F365I310-R314 PolarHBondContact O-N 3.01Å; F311-R314 WeakPolarHBondContact O-CB 3.17Å; F311-R314 PolarHBondContact O-N 3.03Å; R314-S316 VanDerWaalsContact C-N 3.31Å; R314-P317 WeakPolarHBondContact O-CD 3.5Å; R314-N364 PolarHBondContact NH2-O 3.02Å; R314-F365 HydrophobicContact CB-CE1 4.46Å; R314-F365 HydrophobicContact CB-CZ 4.45Å; R314-F365 HydrophobicContact CG-CD1 4.45Å; R314-F365 HydrophobicContact CG-CE1 3.18Å; R314-F365 HydrophobicContact CG-CZ 3.39Å
315Q82.3Confident83.7Confident44 Ų4444.5 Ų44.521%0.20621%0.207CC..Hα-helixtrans-83.8-9.1-172.2-64.3-58.9-36.600112.8F311 S312 L313 P317 F318 I319F311-Q315 HydrophobicContact CD1-CG 4.06Å; F311-Q315 HydrophobicContact CE1-CB 4.47Å; F311-Q315 HydrophobicContact CE1-CG 3.65Å; F311-Q315 HydrophobicContact CE2-CG 4.18Å; F311-Q315 HydrophobicContact CG-CG 4.49Å; F311-Q315 HydrophobicContact CZ-CG 3.72Å; F311-Q315 WeakPolarHBondContact O-CB 3.41Å; F311-Q315 WeakPolarHBondContact O-CG 3.34Å; F311-Q315 PolarHBondContact O-N 3.46Å; S312-Q315 PolarHBondContact O-N 3Å; L313-Q315 VanDerWaalsContact C-N 3.3Å; L313-Q315 PolarHBondContact O-N 3.39Å; Q315-P317 VanDerWaalsContact C-CD 3.46Å; Q315-F318 WeakPolarHBondContact O-CA 3.41Å; Q315-F318 WeakPolarHBondContact O-CB 3.35Å; Q315-F318 PolarHBondContact O-N 2.91Å; Q315-I319 HydrophobicContact CB-CD1 3.96Å; Q315-I319 HydrophobicContact CB-CG1 4.24Å; Q315-I319 VanDerWaalsContact O-CG1 3.28Å; Q315-I319 WeakPolarHBondContact O-CG1 3.4Å; Q315-I319 PolarHBondContact O-N 2.94Å
316S83.9Confident83.5Confident0 Ų046.6 Ų46.60%022%0.222CC..Hα-helixtrans-49.2-47.4-176.8-41.50000113.8S312 L313 R314 F318 I319 L320 W352S312-S316 PolarHBondContact O-N 2.76Å; S312-S316 PolarHBondContact O-OG 3.24Å; L313-S316 VanDerWaalsContact CA-OG 3.29Å; L313-S316 WeakPolarHBondContact CA-OG 3.39Å; L313-S316 WeakPolarHBondContact O-CB 3.49Å; L313-S316 PolarHBondContact O-N 2.91Å; L313-S316 PolarHBondContact O-OG 2.99Å; R314-S316 VanDerWaalsContact C-N 3.31Å; S316-F318 PolarHBondContact O-N 3.18Å; S316-I319 PolarHBondContact O-N 3.33Å; S316-L320 WeakPolarHBondContact O-CG 3.29Å; S316-L320 PolarHBondContact O-N 3.13Å; S316-W352 PolarHBondContact OG-NE1 3.35Å; S316-W352 VanDerWaalsContact OG-NE1 3.13Å
317P76.3Confident83.3Confident32 Ų3245.9 Ų45.921%0.20822%0.218CC..Hα-helixtrans-64.8-40.1178-16.829.5000112.8R314 Q315 K321 W371R314-P317 WeakPolarHBondContact O-CD 3.5Å; Q315-P317 VanDerWaalsContact C-CD 3.46Å; P317-K321 VanDerWaalsContact O-CB 3.22Å; P317-K321 WeakPolarHBondContact O-CB 3.49Å; P317-K321 PolarHBondContact O-N 3.27Å; P317-W371 HydrophobicContact CG-CE3 3.6Å; P317-W371 HydrophobicContact CG-CZ3 3.83Å
318F79.5Confident82.8Confident99 Ų9943 Ų4343%0.43422%0.219SC..Hα-helixtrans-63.3-46.8177.1173.7-96.2000111.2Q278 Q315 S316 L320 K321 R322Q278-F318 HydrophobicContact CB-CE1 4.15Å; Q278-F318 HydrophobicContact CG-CE1 4.36Å; Q315-F318 WeakPolarHBondContact O-CA 3.41Å; Q315-F318 WeakPolarHBondContact O-CB 3.35Å; Q315-F318 PolarHBondContact O-N 2.91Å; S316-F318 PolarHBondContact O-N 3.18Å; F318-L320 PolarHBondContact O-N 3.37Å; F318-K321 PolarHBondContact O-N 2.95Å; F318-R322 VanDerWaalsContact O-CB 3.32Å; F318-R322 WeakPolarHBondContact O-CB 3.47Å; F318-R322 PolarHBondContact O-N 2.9Å
319I83.1Confident81.9Confident0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-55.9-54177-66165.3000109.7L277 I285 Q315 S316 R322 L323 I344 L348L277-I319 HydrophobicContact CB-CD1 4.06Å; L277-I319 HydrophobicContact CD2-CD1 4.4Å; I285-I319 HydrophobicContact CD1-CG2 4.26Å; I285-I319 HydrophobicContact CG2-CG2 3.96Å; Q315-I319 HydrophobicContact CB-CD1 3.96Å; Q315-I319 HydrophobicContact CB-CG1 4.24Å; Q315-I319 VanDerWaalsContact O-CG1 3.28Å; Q315-I319 WeakPolarHBondContact O-CG1 3.4Å; Q315-I319 PolarHBondContact O-N 2.94Å; S316-I319 PolarHBondContact O-N 3.33Å; I319-R322 PolarHBondContact O-N 3.42Å; I319-L323 HydrophobicContact CG2-CD1 3.92Å; I319-L323 HydrophobicContact CG2-CG 4.45Å; I319-L323 WeakPolarHBondContact O-CB 3.28Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.16Å; I319-L323 PolarHBondContact O-N 2.92Å; I319-I344 HydrophobicContact CG2-CG2 4.21Å; I319-L348 HydrophobicContact CG2-CD1 4.47Å
320L84.8Confident80.6Confident13 Ų1348.8 Ų48.87%0.06826%0.26CS..Hα-helixtrans-63.4-44.8-178.3-68178.6000112.2S316 F318 R322 L323 R324 Y341 I344 Y345 L348 F375S316-L320 WeakPolarHBondContact O-CG 3.29Å; S316-L320 PolarHBondContact O-N 3.13Å; F318-L320 PolarHBondContact O-N 3.37Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 2.96Å; L320-L323 PolarHBondContact O-N 2.95Å; L320-R324 VanDerWaalsContact O-CB 3.27Å; L320-R324 WeakPolarHBondContact O-CB 3.4Å; L320-R324 PolarHBondContact O-N 3.28Å; L320-Y341 HydrophobicContact CB-CE2 4.44Å; L320-Y341 HydrophobicContact CD2-CE2 3.94Å; L320-I344 HydrophobicContact CD2-CG2 4.43Å; L320-Y345 HydrophobicContact CD1-CD2 3.64Å; L320-Y345 HydrophobicContact CD1-CE2 4.09Å; L320-Y345 HydrophobicContact CD2-CD2 4.05Å; L320-L348 HydrophobicContact CD2-CD1 4.16Å; L320-L348 HydrophobicContact CG-CD1 4.2Å; L320-F375 HydrophobicContact CD1-CD2 4.08Å; L320-F375 HydrophobicContact CD1-CE1 4.24Å; L320-F375 HydrophobicContact CD1-CE2 3.33Å; L320-F375 HydrophobicContact CD1-CZ 3.44Å; L320-F375 VanDerWaalsContact CD1-CZ 3.44Å; L320-F375 HydrophobicContact CG-CE2 4.27Å; L320-F375 HydrophobicContact CG-CZ 4.32Å
321K79.7Confident79.3Confident134 Ų13457 Ų5758%0.58330%0.303SS*.Hα-helixtrans-59.8-45.5177.9-176177.7-179.6178.60111.5P317 F318 R324 S325P317-K321 VanDerWaalsContact O-CB 3.22Å; P317-K321 WeakPolarHBondContact O-CB 3.49Å; P317-K321 PolarHBondContact O-N 3.27Å; F318-K321 PolarHBondContact O-N 2.95Å; K321-R324 PolarHBondContact O-N 3.06Å; K321-S325 PolarHBondContact O-N 3.35Å
322R84.3Confident77.9Confident51 Ų5163.8 Ų63.819%0.19233%0.332CS..Hα-helixtrans-61.5-52.4177.8-176.6-179.971.4116.5-11.5111L277 Q278 T279 G280 F318 I319 L320 R324 S325 C326L277-R322 PolarHBondContact O-NH2 2.94Å; Q278-R322 WeakPolarHBondContact O-CD 3.39Å; Q278-R322 PolarHBondContact O-NE 3.41Å; Q278-R322 PolarHBondContact O-NH2 2.89Å; T279-R322 PolarHBondContact O-NH1 3.23Å; G280-R322 PolarHBondContact O-NH1 3.4Å; G280-R322 VanDerWaalsContact O-NH1 3.08Å; G280-R322 PolarHBondContact O-NH2 3.28Å; F318-R322 VanDerWaalsContact O-CB 3.32Å; F318-R322 WeakPolarHBondContact O-CB 3.47Å; F318-R322 PolarHBondContact O-N 2.9Å; I319-R322 PolarHBondContact O-N 3.42Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 2.96Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.23Å; R322-S325 WeakPolarHBondContact O-CB 3.35Å; R322-S325 PolarHBondContact O-N 3.4Å; R322-S325 VanDerWaalsContact O-N 3.09Å; R322-S325 PolarHBondContact O-OG 2.99Å; R322-C326 PolarHBondContact O-N 2.91Å; R322-C326 VanDerWaalsContact O-N 3.09Å; R322-C326 PolarHBondContact O-SG 3.48Å; R322-C326 VanDerWaalsContact O-SG 3.35Å
323L84.5Confident76.7Confident2 Ų268.3 Ų68.31%0.0136%0.362CS..Hα-helixtrans-60.9-40.5-179.5-67.8178.1000111.6F282 I285 I319 L320 S325 C326 L327 Y341 I344F282-L323 HydrophobicContact CD1-CB 4.44Å; F282-L323 HydrophobicContact CD1-CD1 4.15Å; F282-L323 HydrophobicContact CD1-CD2 3.74Å; F282-L323 HydrophobicContact CD1-CG 4.32Å; F282-L323 HydrophobicContact CD2-CD2 3.86Å; F282-L323 HydrophobicContact CE1-CB 3.67Å; F282-L323 HydrophobicContact CE1-CD1 4.15Å; F282-L323 HydrophobicContact CE1-CD2 3.67Å; F282-L323 HydrophobicContact CE1-CG 4.02Å; F282-L323 HydrophobicContact CE2-CD2 3.78Å; F282-L323 HydrophobicContact CG-CD2 3.83Å; F282-L323 HydrophobicContact CZ-CB 3.81Å; F282-L323 HydrophobicContact CZ-CD2 3.69Å; F282-L323 HydrophobicContact CZ-CG 4.29Å; F282-L323 WeakPolarHBondContact CZ-O 3.48Å; I285-L323 HydrophobicContact CD1-CD1 4.01Å; I285-L323 HydrophobicContact CD1-CD2 3.6Å; I285-L323 HydrophobicContact CD1-CG 4.07Å; I319-L323 HydrophobicContact CG2-CD1 3.92Å; I319-L323 HydrophobicContact CG2-CG 4.45Å; I319-L323 WeakPolarHBondContact O-CB 3.28Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.16Å; I319-L323 PolarHBondContact O-N 2.92Å; L320-L323 PolarHBondContact O-N 2.95Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.48Å; L323-C326 WeakPolarHBondContact O-CB 3.44Å; L323-C326 PolarHBondContact O-N 3.06Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.85Å; L323-Y341 HydrophobicContact CB-CD2 3.72Å; L323-Y341 HydrophobicContact CB-CE2 4.04Å; L323-Y341 HydrophobicContact CD1-CD2 4.33Å; L323-I344 HydrophobicContact CD1-CD1 3.58Å; L323-I344 HydrophobicContact CD1-CG2 4.09Å
324R81.7Confident76.2Confident99 Ų9972 Ų7237%0.37438%0.381SS..Hα-helixtrans-60-43.2174.1-177.3179.1174.6166.80.9111.9L320 K321 R322 C326 L327 A328 Y341 P378 M379L320-R324 VanDerWaalsContact O-CB 3.27Å; L320-R324 WeakPolarHBondContact O-CB 3.4Å; L320-R324 PolarHBondContact O-N 3.28Å; K321-R324 PolarHBondContact O-N 3.06Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.23Å; R324-C326 VanDerWaalsContact C-N 3.27Å; R324-C326 PolarHBondContact O-N 3.41Å; R324-L327 WeakPolarHBondContact O-CB 3.27Å; R324-L327 PolarHBondContact O-N 3.47Å; R324-L327 VanDerWaalsContact O-N 3.11Å; R324-A328 PolarHBondContact O-N 3.12Å; R324-Y341 HydrophobicContact CB-CE2 4.25Å; R324-P378 PolarHBondContact NH1-O 3.06Å; R324-M379 PolarHBondContact NH2-SD 2.88Å
325S79.1Confident76.2Confident67 Ų6772.3 Ų72.347%0.46939%0.392SS..Hα-helixtrans-60.4-37.9176.474.50000112K321 R322 L323 L327 A328 S329K321-S325 PolarHBondContact O-N 3.35Å; R322-S325 WeakPolarHBondContact O-CB 3.35Å; R322-S325 PolarHBondContact O-N 3.4Å; R322-S325 VanDerWaalsContact O-N 3.09Å; R322-S325 PolarHBondContact O-OG 2.99Å; L323-S325 VanDerWaalsContact C-N 3.34Å; L323-S325 PolarHBondContact O-N 3.48Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.02Å; S325-A328 PolarHBondContact O-N 3.39Å; S325-S329 WeakPolarHBondContact O-CB 3.42Å; S325-S329 PolarHBondContact O-N 2.98Å; S325-S329 PolarHBondContact O-OG 3.34Å
326C81.7Confident76.3Confident55 Ų5573 Ų7337%0.37241%0.406SS..Hα-helixtrans-66.1-34174.6-59.80000113F282 R322 L323 R324 S329F282-C326 HydrophobicContact CE2-CB 4.03Å; F282-C326 HydrophobicContact CZ-CB 4.24Å; R322-C326 PolarHBondContact O-N 2.91Å; R322-C326 VanDerWaalsContact O-N 3.09Å; R322-C326 PolarHBondContact O-SG 3.48Å; R322-C326 VanDerWaalsContact O-SG 3.35Å; L323-C326 WeakPolarHBondContact O-CB 3.44Å; L323-C326 PolarHBondContact O-N 3.06Å; R324-C326 VanDerWaalsContact C-N 3.27Å; R324-C326 PolarHBondContact O-N 3.41Å; C326-S329 WeakPolarHBondContact CA-OG 3.49Å; C326-S329 PolarHBondContact O-OG 3.35Å; C326-S329 VanDerWaalsContact O-OG 3.05Å
327L80.6Confident76.3Confident36 Ų3675.4 Ų75.419%0.18842%0.418CS..Hα-helixtrans-70.8-38.8174-65.6175.7000111.7F282 L323 R324 S325 S330 N337 V338 Y341F282-L327 HydrophobicContact CE1-CD2 4.32Å; F282-L327 HydrophobicContact CE1-CG 4.38Å; F282-L327 HydrophobicContact CZ-CD2 3.97Å; F282-L327 HydrophobicContact CZ-CG 4Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.85Å; R324-L327 WeakPolarHBondContact O-CB 3.27Å; R324-L327 PolarHBondContact O-N 3.47Å; R324-L327 VanDerWaalsContact O-N 3.11Å; S325-L327 VanDerWaalsContact C-N 3.34Å; S325-L327 PolarHBondContact O-N 3.02Å; L327-S330 PolarHBondContact O-OG 2.91Å; L327-N337 HydrophobicContact CD2-CB 3.62Å; L327-V338 HydrophobicContact CD2-CG2 4.06Å; L327-Y341 HydrophobicContact CD1-CD1 4.38Å; L327-Y341 HydrophobicContact CD1-CD2 4.1Å; L327-Y341 HydrophobicContact CD1-CG 3.86Å
328A74.5Confident76.5Confident83 Ų8376.2 Ų76.269%0.68642%0.423SS*.Hα-helixtrans-72.5-31.2-179.800000112.9R324 S325 S330R324-A328 PolarHBondContact O-N 3.12Å; S325-A328 PolarHBondContact O-N 3.39Å; A328-S330 VanDerWaalsContact C-N 3.29Å; A328-S330 PolarHBondContact O-N 3.35Å
329S67.9Low76.8Confident97 Ų9774 Ų7468%0.67842%0.419SS*.THydrogen-bonded Turntrans-74.8-12.4-179.156.60000114.7S325 C326S325-S329 WeakPolarHBondContact O-CB 3.42Å; S325-S329 PolarHBondContact O-N 2.98Å; S325-S329 PolarHBondContact O-OG 3.34Å; C326-S329 WeakPolarHBondContact CA-OG 3.49Å; C326-S329 PolarHBondContact O-OG 3.35Å; C326-S329 VanDerWaalsContact O-OG 3.05Å
330S61.5Low77Confident46 Ų4675.3 Ų75.332%0.32243%0.426SS..  trans-88.7122.2180530000111.8L327 A328 K332L327-S330 PolarHBondContact O-OG 2.91Å; A328-S330 VanDerWaalsContact C-N 3.29Å; A328-S330 PolarHBondContact O-N 3.35Å; S330-K332 WeakPolarHBondContact CB-O 3.22Å; S330-K332 PolarHBondContact O-N 2.73Å; S330-K332 PolarHBondContact OG-O 2.79Å
331L57.5Low77.1Confident185 Ų18576.1 Ų76.197%0.96943%0.428SS*.SBendtrans-54.7-21175.6-83.2149.1000114.3
332K58.6Low77.3Confident174 Ų17475.1 Ų75.176%0.75743%0.426SS*.SBendtrans-131.5131.6169.9-70.3-176178.9179.90109.4S330 N334S330-K332 WeakPolarHBondContact CB-O 3.22Å; S330-K332 PolarHBondContact O-N 2.73Å; S330-K332 PolarHBondContact OG-O 2.79Å; K332-N334 PolarHBondContact O-N 3.47Å; K332-N334 VanDerWaalsContact O-N 3.16Å
333P61.9Low77.5Confident96 Ų9677.7 Ų77.762%0.62344%0.438SS*.  trans-63.1118.4177.324.2-31000109.7N335P333-N335 PolarHBondContact O-N 3.23Å; P333-N335 VanDerWaalsContact O-N 3.15Å
334N76.7Confident77.8Confident77 Ų7777.6 Ų77.641%0.41244%0.438SS..  trans-76.799170.5-178.5-15.4000108.4K332 A336 N337 V338K332-N334 PolarHBondContact O-N 3.47Å; K332-N334 VanDerWaalsContact O-N 3.16Å; N334-A336 PolarHBondContact O-N 3.2Å; N334-A336 WeakPolarHBondContact OD1-CB 3.28Å; N334-A336 PolarHBondContact OD1-N 3.12Å; N334-A336 VanDerWaalsContact OD1-N 3.09Å; N334-N337 HydrophobicContact CB-CB 4.15Å; N334-N337 PolarHBondContact ND2-ND2 2.91Å; N334-N337 WeakPolarHBondContact O-CA 3.29Å; N334-N337 PolarHBondContact O-N 3.15Å; N334-V338 PolarHBondContact O-N 3.28Å
335N79.8Confident78Confident129 Ų12975.1 Ų75.169%0.6943%0.429SS*.Hα-helixtrans-50.9-33.1-179.6-71.3-11.4000113.1P333 V338 C339P333-N335 PolarHBondContact O-N 3.23Å; P333-N335 VanDerWaalsContact O-N 3.15Å; N335-V338 PolarHBondContact O-N 2.95Å; N335-C339 WeakPolarHBondContact O-CB 3.34Å; N335-C339 PolarHBondContact O-N 2.89Å
336A84.7Confident78.2Confident59 Ų5974.1 Ų74.149%0.48842%0.42SS..Hα-helixtrans-66.9-40.4176.100000111.9N334 C339 L340N334-A336 PolarHBondContact O-N 3.2Å; N334-A336 WeakPolarHBondContact OD1-CB 3.28Å; N334-A336 PolarHBondContact OD1-N 3.12Å; N334-A336 VanDerWaalsContact OD1-N 3.09Å; A336-C339 PolarHBondContact O-N 3.14Å; A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.33Å; A336-L340 PolarHBondContact O-N 3.47Å
337N83.8Confident78.5Confident49 Ų4972.2 Ų72.226%0.26241%0.406SS..Hα-helixtrans-71.1-34176.9-72.1-12.7000112.2F282 L327 N334 L340 Y341F282-N337 HydrophobicContact CD2-CB 4.42Å; F282-N337 HydrophobicContact CE1-CB 4.39Å; F282-N337 HydrophobicContact CE2-CB 4.28Å; F282-N337 HydrophobicContact CZ-CB 4.26Å; L327-N337 HydrophobicContact CD2-CB 3.62Å; N334-N337 HydrophobicContact CB-CB 4.15Å; N334-N337 PolarHBondContact ND2-ND2 2.91Å; N334-N337 WeakPolarHBondContact O-CA 3.29Å; N334-N337 PolarHBondContact O-N 3.15Å; N337-L340 PolarHBondContact O-N 3.13Å; N337-Y341 WeakPolarHBondContact O-CB 3.48Å; N337-Y341 PolarHBondContact O-N 3.33Å
338V81.7Confident78.9Confident49 Ų4970.5 Ų70.530%0.29740%0.397SS..Hα-helixtrans-62.1-48.6172.81780000110.2L327 N334 N335 L340 Y341 E342L327-V338 HydrophobicContact CD2-CG2 4.06Å; N334-V338 PolarHBondContact O-N 3.28Å; N335-V338 PolarHBondContact O-N 2.95Å; V338-L340 VanDerWaalsContact C-N 3.32Å; V338-L340 PolarHBondContact O-N 2.9Å; V338-Y341 WeakPolarHBondContact O-CB 3.5Å; V338-Y341 PolarHBondContact O-N 2.91Å; V338-Y341 VanDerWaalsContact O-N 3.13Å; V338-E342 PolarHBondContact O-N 3Å
339C84.8Confident79.4Confident53 Ų5369.1 Ų69.136%0.35838%0.377SS..Hα-helixtrans-60.5-40.5176-177.70000112.3N335 A336 E342 K343N335-C339 WeakPolarHBondContact O-CB 3.34Å; N335-C339 PolarHBondContact O-N 2.89Å; A336-C339 PolarHBondContact O-N 3.14Å; C339-E342 PolarHBondContact O-N 3.49Å; C339-K343 WeakPolarHBondContact O-CG 3.19Å; C339-K343 PolarHBondContact O-N 3.41Å; C339-K343 VanDerWaalsContact O-N 3.12Å
340L88.3Confident80.2Confident27 Ų2766.7 Ų66.714%0.14136%0.355CS..Hα-helixtrans-65.3-38.8175.5-70.5170.5000112.1F282 K283 L286 A336 N337 V338 K343 I344F282-L340 HydrophobicContact CB-CB 3.91Å; F282-L340 HydrophobicContact CB-CD1 3.73Å; F282-L340 HydrophobicContact CB-CG 4.44Å; F282-L340 HydrophobicContact CD1-CB 4.06Å; F282-L340 HydrophobicContact CG-CB 4.39Å; K283-L340 HydrophobicContact CG-CD1 3.81Å; L286-L340 HydrophobicContact CD2-CD2 3.47Å; L286-L340 VanDerWaalsContact CD2-CD2 3.47Å; A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.33Å; A336-L340 PolarHBondContact O-N 3.47Å; N337-L340 PolarHBondContact O-N 3.13Å; V338-L340 VanDerWaalsContact C-N 3.32Å; V338-L340 PolarHBondContact O-N 2.9Å; L340-K343 PolarHBondContact O-N 2.96Å; L340-I344 WeakPolarHBondContact O-CD1 3.27Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 2.68Å
341Y86.3Confident81.4Confident31 Ų3164.5 Ų64.512%0.12234%0.34CS..Hα-helixtrans-59.2-49.4175.5179.1-96.7000111.7F282 L320 L323 R324 L327 N337 V338 K343 I344 Y345F282-Y341 HydrophobicContact CE1-CD2 4.38Å; L320-Y341 HydrophobicContact CB-CE2 4.44Å; L320-Y341 HydrophobicContact CD2-CE2 3.94Å; L323-Y341 HydrophobicContact CB-CD2 3.72Å; L323-Y341 HydrophobicContact CB-CE2 4.04Å; L323-Y341 HydrophobicContact CD1-CD2 4.33Å; R324-Y341 HydrophobicContact CB-CE2 4.25Å; L327-Y341 HydrophobicContact CD1-CD1 4.38Å; L327-Y341 HydrophobicContact CD1-CD2 4.1Å; L327-Y341 HydrophobicContact CD1-CG 3.86Å; N337-Y341 WeakPolarHBondContact O-CB 3.48Å; N337-Y341 PolarHBondContact O-N 3.33Å; V338-Y341 WeakPolarHBondContact O-CB 3.5Å; V338-Y341 PolarHBondContact O-N 2.91Å; V338-Y341 VanDerWaalsContact O-N 3.13Å; Y341-K343 VanDerWaalsContact C-N 3.31Å; Y341-K343 PolarHBondContact O-N 3.41Å; Y341-I344 PolarHBondContact O-N 3.24Å; Y341-Y345 WeakPolarHBondContact O-CB 3.42Å; Y341-Y345 PolarHBondContact O-N 3.41Å
342E84.5Confident82.7Confident113 Ų11355.8 Ų55.853%0.52829%0.294SS..Hα-helixtrans-61.7-39.7179.3-69.9174.2169.300112V338 C339 Y345 T346V338-E342 PolarHBondContact O-N 3Å; C339-E342 PolarHBondContact O-N 3.49Å; E342-Y345 PolarHBondContact O-N 3.02Å; E342-T346 WeakPolarHBondContact O-CB 3.14Å; E342-T346 PolarHBondContact O-N 2.84Å; E342-T346 PolarHBondContact O-OG1 3Å
343K88.2Confident83.6Confident105 Ų10554.2 Ų54.246%0.45729%0.288SS..Hα-helixtrans-63.8-43.2174.5-73.3178.4179.1-176.60112L286 C339 L340 Y341 L347L286-K343 HydrophobicContact CD1-CB 3.89Å; L286-K343 HydrophobicContact CD2-CB 4.27Å; L286-K343 HydrophobicContact CD2-CD 4.27Å; C339-K343 WeakPolarHBondContact O-CG 3.19Å; C339-K343 PolarHBondContact O-N 3.41Å; C339-K343 VanDerWaalsContact O-N 3.12Å; L340-K343 PolarHBondContact O-N 2.96Å; Y341-K343 VanDerWaalsContact C-N 3.31Å; Y341-K343 PolarHBondContact O-N 3.41Å; K343-L347 WeakPolarHBondContact O-CB 3.45Å; K343-L347 PolarHBondContact O-N 3.25Å
344I89.2Confident84.4Confident0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-63.2-46.1176.2-70.3163.8000110.5F282 I285 L286 L289 I319 L320 L323 L340 Y341 L347 L348F282-I344 HydrophobicContact CD1-CD1 4.31Å; I285-I344 HydrophobicContact CB-CD1 4.09Å; I285-I344 HydrophobicContact CG2-CD1 3.99Å; I285-I344 HydrophobicContact CG2-CG1 4.27Å; I285-I344 HydrophobicContact CG2-CG2 4.12Å; L286-I344 HydrophobicContact CB-CD1 4.28Å; L286-I344 HydrophobicContact CB-CG1 3.91Å; L286-I344 HydrophobicContact CD1-CG1 4.07Å; L289-I344 HydrophobicContact CD1-CG2 3.9Å; I319-I344 HydrophobicContact CG2-CG2 4.21Å; L320-I344 HydrophobicContact CD2-CG2 4.43Å; L323-I344 HydrophobicContact CD1-CD1 3.58Å; L323-I344 HydrophobicContact CD1-CG2 4.09Å; L340-I344 WeakPolarHBondContact O-CD1 3.27Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 2.68Å; Y341-I344 PolarHBondContact O-N 3.24Å; I344-L347 PolarHBondContact O-N 2.93Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.42Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 2.64Å
345Y86Confident84.5Confident47 Ų4748.1 Ų48.118%0.18425%0.249CC..Hα-helixtrans-57.5-50.8177.2177.5-99000111.9L320 Y341 E342 L347 L348 L349 F375 P378L320-Y345 HydrophobicContact CD1-CD2 3.64Å; L320-Y345 HydrophobicContact CD1-CE2 4.09Å; L320-Y345 HydrophobicContact CD2-CD2 4.05Å; Y341-Y345 WeakPolarHBondContact O-CB 3.42Å; Y341-Y345 PolarHBondContact O-N 3.41Å; E342-Y345 PolarHBondContact O-N 3.02Å; Y345-L347 VanDerWaalsContact C-N 3.3Å; Y345-L347 PolarHBondContact O-N 2.97Å; Y345-L348 PolarHBondContact O-N 2.95Å; Y345-L349 HydrophobicContact CD1-CD1 3.86Å; Y345-L349 HydrophobicContact CE1-CD1 3.27Å; Y345-L349 HydrophobicContact CE1-CG 4.17Å; Y345-L349 PolarHBondContact O-N 3.38Å; Y345-F375 HydrophobicContact CD2-CE1 4.31Å; Y345-F375 HydrophobicContact CE2-CD1 4.23Å; Y345-F375 HydrophobicContact CE2-CE1 4.2Å; Y345-F375 VanDerWaalsContact CE2-O 3.29Å; Y345-F375 WeakPolarHBondContact CE2-O 3.48Å; Y345-F375 PolarHBondContact OH-O 3.4Å; Y345-F375 VanDerWaalsContact OH-O 3.06Å; Y345-P378 HydrophobicContact CE2-CG 4.19Å
346T84.9Confident84.1Confident46 Ų4643.4 Ų43.428%0.28223%0.228SC..Hα-helixtrans-60.1-41.9178.2-560000111.4V255 E342 L349 Q350V255-T346 HydrophobicContact CG2-CG2 3.97Å; E342-T346 WeakPolarHBondContact O-CB 3.14Å; E342-T346 PolarHBondContact O-N 2.84Å; E342-T346 PolarHBondContact O-OG1 3Å; T346-L349 WeakPolarHBondContact O-CB 3.32Å; T346-L349 PolarHBondContact O-N 2.96Å; T346-Q350 VanDerWaalsContact O-CG 3.28Å; T346-Q350 WeakPolarHBondContact O-CG 3.38Å; T346-Q350 PolarHBondContact O-N 3.44Å
347L88.2Confident83.3Confident14 Ų1446.5 Ų46.57%0.07323%0.233CC..Hα-helixtrans-69.4-39.8-178.5-172.460.5000112.5L286 L289 S290 K293 K343 I344 Y345 Q350 L351L286-L347 HydrophobicContact CD1-CD2 4.05Å; L289-L347 HydrophobicContact CB-CD2 3.42Å; L289-L347 VanDerWaalsContact CB-CD2 3.42Å; L289-L347 HydrophobicContact CB-CG 4.07Å; S290-L347 WeakPolarHBondContact OG-CD2 3.25Å; K293-L347 HydrophobicContact CB-CD1 4.07Å; K293-L347 HydrophobicContact CD-CD1 3.32Å; K293-L347 HydrophobicContact CG-CD1 4.31Å; K343-L347 WeakPolarHBondContact O-CB 3.45Å; K343-L347 PolarHBondContact O-N 3.25Å; I344-L347 PolarHBondContact O-N 2.93Å; Y345-L347 VanDerWaalsContact C-N 3.3Å; Y345-L347 PolarHBondContact O-N 2.97Å; L347-Q350 WeakPolarHBondContact O-CB 3.27Å; L347-Q350 PolarHBondContact O-N 3.4Å; L347-L351 WeakPolarHBondContact O-CG 3.25Å; L347-L351 PolarHBondContact O-N 2.87Å
348L88.8Confident82.6Confident0 Ų047.2 Ų47.20%024%0.237CC..Hα-helixtrans-64.2-42172.4-70.8168.1000110.9L289 I319 L320 I344 Y345 Q350 L351 W352 F375L289-L348 HydrophobicContact CD1-CD1 4.34Å; L289-L348 HydrophobicContact CD1-CD2 3.72Å; L289-L348 HydrophobicContact CD1-CG 3.81Å; L289-L348 HydrophobicContact CD2-CD2 3.76Å; L289-L348 HydrophobicContact CG-CD2 4.41Å; I319-L348 HydrophobicContact CG2-CD1 4.47Å; L320-L348 HydrophobicContact CD2-CD1 4.16Å; L320-L348 HydrophobicContact CG-CD1 4.2Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.42Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 2.64Å; Y345-L348 PolarHBondContact O-N 2.95Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.44Å; L348-L351 PolarHBondContact O-N 2.91Å; L348-W352 WeakPolarHBondContact O-CB 3.39Å; L348-W352 PolarHBondContact O-N 3.25Å; L348-F375 HydrophobicContact CB-CE1 3.72Å; L348-F375 HydrophobicContact CB-CE2 4.45Å; L348-F375 HydrophobicContact CB-CZ 3.32Å; L348-F375 HydrophobicContact CD1-CE2 4.48Å; L348-F375 HydrophobicContact CD1-CZ 3.82Å; L348-F375 HydrophobicContact CG-CZ 4.17Å
349L84.1Confident81.8Confident54 Ų5450.5 Ų50.528%0.28324%0.244SC..Hα-helixtrans-56.8-42.7173.2-87.7174000111.7Y345 T346 W352 F353 F375Y345-L349 HydrophobicContact CD1-CD1 3.86Å; Y345-L349 HydrophobicContact CE1-CD1 3.27Å; Y345-L349 HydrophobicContact CE1-CG 4.17Å; Y345-L349 PolarHBondContact O-N 3.38Å; T346-L349 WeakPolarHBondContact O-CB 3.32Å; T346-L349 PolarHBondContact O-N 2.96Å; L349-W352 WeakPolarHBondContact O-CB 3.47Å; L349-W352 PolarHBondContact O-N 2.78Å; L349-F353 WeakPolarHBondContact O-CB 3.16Å; L349-F353 PolarHBondContact O-N 3.08Å; L349-F375 HydrophobicContact CB-CE1 4.46Å; L349-F375 HydrophobicContact CD2-CD1 3.57Å; L349-F375 HydrophobicContact CD2-CE1 4.09Å; L349-F375 HydrophobicContact CG-CD1 3.8Å; L349-F375 HydrophobicContact CG-CE1 3.81Å
350Q84.8Confident81Confident46 Ų4648.4 Ų48.422%0.21523%0.23CC..Hα-helixtrans-65.3-40.6176.9-72.1170.8-19.600112.2T346 L347 L348 F353 Q354T346-Q350 VanDerWaalsContact O-CG 3.28Å; T346-Q350 WeakPolarHBondContact O-CG 3.38Å; T346-Q350 PolarHBondContact O-N 3.44Å; L347-Q350 WeakPolarHBondContact O-CB 3.27Å; L347-Q350 PolarHBondContact O-N 3.4Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.44Å; Q350-F353 PolarHBondContact O-N 3.02Å; Q350-Q354 VanDerWaalsContact O-CB 3.29Å; Q350-Q354 WeakPolarHBondContact O-CB 3.47Å; Q350-Q354 PolarHBondContact O-N 2.95Å
351L87.3Confident79.9Confident0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-66.7-38.2174.7-70.8172000111.9L289 L292 K293 L296 L309 L313 L347 L348 Q354 A355L289-L351 HydrophobicContact CD2-CD1 4.03Å; L292-L351 HydrophobicContact CD2-CD1 4.04Å; L292-L351 HydrophobicContact CD2-CD2 4.47Å; L292-L351 HydrophobicContact CG-CD2 4.49Å; K293-L351 HydrophobicContact CB-CD2 3.98Å; K293-L351 HydrophobicContact CG-CD2 4.33Å; L296-L351 HydrophobicContact CD1-CD2 3.75Å; L309-L351 HydrophobicContact CD1-CB 4.2Å; L309-L351 HydrophobicContact CD1-CD2 4.14Å; L313-L351 HydrophobicContact CD2-CB 4.2Å; L347-L351 WeakPolarHBondContact O-CG 3.25Å; L347-L351 PolarHBondContact O-N 2.87Å; L348-L351 PolarHBondContact O-N 2.91Å; L351-Q354 PolarHBondContact O-N 3.39Å; L351-A355 WeakPolarHBondContact O-CB 3.4Å; L351-A355 PolarHBondContact O-N 3.49Å
352W83.7Confident78.6Confident2 Ų248.7 Ų48.71%0.00823%0.233CC..Hα-helixtrans-61.2-48.6172.5-90.199.7000111.2L313 S316 L348 L349 A355 A356 L361 W371 L372L313-W352 HydrophobicContact CB-CH2 4.45Å; L313-W352 HydrophobicContact CB-CZ2 3.98Å; L313-W352 HydrophobicContact CD2-CB 4.21Å; L313-W352 HydrophobicContact CD2-CD2 3.69Å; L313-W352 HydrophobicContact CD2-CE3 4.43Å; L313-W352 HydrophobicContact CD2-CG 3.57Å; L313-W352 HydrophobicContact CD2-CZ2 4.48Å; L313-W352 WeakPolarHBondContact O-CZ2 3.45Å; S316-W352 PolarHBondContact OG-NE1 3.35Å; S316-W352 VanDerWaalsContact OG-NE1 3.13Å; L348-W352 WeakPolarHBondContact O-CB 3.39Å; L348-W352 PolarHBondContact O-N 3.25Å; L349-W352 WeakPolarHBondContact O-CB 3.47Å; L349-W352 PolarHBondContact O-N 2.78Å; W352-A355 PolarHBondContact O-N 3.35Å; W352-A356 WeakPolarHBondContact O-CB 3.45Å; W352-A356 PolarHBondContact O-N 3.19Å; W352-L361 HydrophobicContact CE3-CD1 3.63Å; W352-L361 HydrophobicContact CE3-CD2 3.6Å; W352-L361 HydrophobicContact CE3-CG 4.29Å; W352-L361 HydrophobicContact CH2-CD2 4.13Å; W352-L361 HydrophobicContact CZ3-CD1 3.85Å; W352-L361 HydrophobicContact CZ3-CD2 3.35Å; W352-L361 HydrophobicContact CZ3-CG 4.24Å; W352-W371 HydrophobicContact CH2-CB 3.52Å; W352-W371 HydrophobicContact CH2-CG 4.3Å; W352-W371 HydrophobicContact CZ2-CB 3.87Å; W352-W371 HydrophobicContact CZ3-CB 4.43Å; W352-L372 HydrophobicContact CB-CD2 4.48Å; W352-L372 HydrophobicContact CD2-CG 4.18Å; W352-L372 HydrophobicContact CE3-CD1 3.62Å; W352-L372 HydrophobicContact CE3-CD2 4.46Å; W352-L372 HydrophobicContact CE3-CG 3.67Å; W352-L372 HydrophobicContact CZ3-CD1 3.94Å; W352-L372 HydrophobicContact CZ3-CG 4.09Å
353F77.8Confident77.5Confident141 Ų14152.4 Ų52.462%0.61825%0.248SC*.Hα-helixtrans-61.2-46.3177-175.8-99000111.4L349 Q350 A355 A356 M357L349-F353 WeakPolarHBondContact O-CB 3.16Å; L349-F353 PolarHBondContact O-N 3.08Å; Q350-F353 PolarHBondContact O-N 3.02Å; F353-A355 PolarHBondContact O-N 2.97Å; F353-A356 WeakPolarHBondContact O-CB 3.24Å; F353-A356 PolarHBondContact O-N 3.41Å; F353-M357 HydrophobicContact CD1-CG 4.16Å; F353-M357 HydrophobicContact CE1-CG 3.81Å; F353-M357 HydrophobicContact CE1-SD 4.44Å; F353-M357 HydrophobicContact CZ-CG 4.07Å; F353-M357 HydrophobicContact CZ-SD 4.16Å; F353-M357 WeakPolarHBondContact O-CG 3.36Å; F353-M357 PolarHBondContact O-N 3.02Å
354Q79.5Confident76.3Confident46 Ų4650 Ų5022%0.21524%0.24CC..Hα-helixtrans-61.5-45176.1-177.4171.9-5.500111.8Q350 L351 A356 M357 D358Q350-Q354 VanDerWaalsContact O-CB 3.29Å; Q350-Q354 WeakPolarHBondContact O-CB 3.47Å; Q350-Q354 PolarHBondContact O-N 2.95Å; L351-Q354 PolarHBondContact O-N 3.39Å; Q354-A356 VanDerWaalsContact C-N 3.27Å; Q354-A356 PolarHBondContact O-N 3.05Å; Q354-M357 WeakPolarHBondContact O-CB 3.44Å; Q354-M357 PolarHBondContact O-N 3.5Å; Q354-D358 WeakPolarHBondContact O-CB 3.36Å; Q354-D358 VanDerWaalsContact O-CG 3.26Å; Q354-D358 PolarHBondContact O-N 3.14Å
355A77.8Confident74.9Confident0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-66.9-28.2177.800000113.3L309 L313 L351 W352 F353 R359 T360 L361L309-A355 HydrophobicContact CD1-CB 4.49Å; L309-A355 HydrophobicContact CD2-CB 4.11Å; L309-A355 HydrophobicContact CG-CB 4.46Å; L313-A355 HydrophobicContact CD1-CB 3.45Å; L313-A355 VanDerWaalsContact CD1-CB 3.45Å; L351-A355 WeakPolarHBondContact O-CB 3.4Å; L351-A355 PolarHBondContact O-N 3.49Å; W352-A355 PolarHBondContact O-N 3.35Å; F353-A355 PolarHBondContact O-N 2.97Å; A355-R359 PolarHBondContact O-N 2.87Å; A355-T360 PolarHBondContact O-N 3.41Å; A355-L361 HydrophobicContact CB-CD1 4.48Å; A355-L361 HydrophobicContact CB-CD2 4.04Å; A355-L361 HydrophobicContact CB-CG 3.88Å; A355-L361 PolarHBondContact O-N 3.12Å
356A71.7Confident73.5Confident30 Ų3053.3 Ų53.325%0.24827%0.266CS..Hα-helixtrans-68.2-48.9170.500000110.4W352 F353 Q354 D358 R359 L361W352-A356 WeakPolarHBondContact O-CB 3.45Å; W352-A356 PolarHBondContact O-N 3.19Å; F353-A356 WeakPolarHBondContact O-CB 3.24Å; F353-A356 PolarHBondContact O-N 3.41Å; Q354-A356 VanDerWaalsContact C-N 3.27Å; Q354-A356 PolarHBondContact O-N 3.05Å; A356-D358 VanDerWaalsContact C-N 3.33Å; A356-D358 PolarHBondContact O-N 3.49Å; A356-R359 PolarHBondContact O-N 2.87Å; A356-L361 HydrophobicContact CB-CD1 3.67Å
357M68Low72.3Confident124 Ų12455.1 Ų55.161%0.61127%0.271SS*.Hα-helixtrans-58.9-42.8175.3-71.1-57.2-50.100112.3F353 Q354 R359F353-M357 HydrophobicContact CD1-CG 4.16Å; F353-M357 HydrophobicContact CE1-CG 3.81Å; F353-M357 HydrophobicContact CE1-SD 4.44Å; F353-M357 HydrophobicContact CZ-CG 4.07Å; F353-M357 HydrophobicContact CZ-SD 4.16Å; F353-M357 WeakPolarHBondContact O-CG 3.36Å; F353-M357 PolarHBondContact O-N 3.02Å; Q354-M357 WeakPolarHBondContact O-CB 3.44Å; Q354-M357 PolarHBondContact O-N 3.5Å; M357-R359 PolarHBondContact O-N 2.98Å
358D69.9Low71.1Confident64 Ų6454.9 Ų54.934%0.34227%0.271SS..THydrogen-bonded Turntrans-805.1178.6-65.8-7.9000112.8H302 Q354 A356 T360H302-D358 IonicContact CD2-OD2 2.63Å; H302-D358 IonicContact CE1-OD2 3.58Å; H302-D358 IonicContact NE2-OD2 3.79Å; H302-D358 PolarHBondContact NE2-OD2 2.72Å; Q354-D358 WeakPolarHBondContact O-CB 3.36Å; Q354-D358 VanDerWaalsContact O-CG 3.26Å; Q354-D358 PolarHBondContact O-N 3.14Å; A356-D358 VanDerWaalsContact C-N 3.33Å; A356-D358 PolarHBondContact O-N 3.49Å; D358-T360 PolarHBondContact O-N 2.98Å; D358-T360 PolarHBondContact O-OG1 2.98Å
359R63.7Low69.6Low117 Ų11760.7 Ų60.744%0.44229%0.293SS..THydrogen-bonded Turntrans53.621179.9-54.4-175.3-174.3160.92.3115.3N158 A355 A356 M357 L361N158-R359 PolarHBondContact O-NH1 2.78Å; A355-R359 PolarHBondContact O-N 2.87Å; A356-R359 PolarHBondContact O-N 2.87Å; M357-R359 PolarHBondContact O-N 2.98Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.41Å
360T68Low68.3Low9 Ų960.7 Ų60.76%0.05529%0.293CS..Hα-helixtrans-73.9-27-179.3-700000111.1L306 L309 I310 A355 D358 N364L306-T360 HydrophobicContact CD1-CG2 3.36Å; L306-T360 WeakPolarHBondContact CD1-OG1 3.36Å; L306-T360 HydrophobicContact CG-CG2 4.35Å; L309-T360 HydrophobicContact CD2-CG2 4.23Å; I310-T360 HydrophobicContact CD1-CG2 3.37Å; I310-T360 HydrophobicContact CG1-CG2 4.08Å; A355-T360 PolarHBondContact O-N 3.41Å; D358-T360 PolarHBondContact O-N 2.98Å; D358-T360 PolarHBondContact O-OG1 2.98Å; T360-N364 PolarHBondContact O-ND2 2.88Å
361L65.3Low67.1Low6 Ų662 Ų623%0.03130%0.296CS..Hα-helixtrans-63-60.6-177.1-72.3178.8000112.6L313 W352 A355 A356 R359 K363 N364 F365 L372L313-L361 HydrophobicContact CD1-CD2 3.73Å; W352-L361 HydrophobicContact CE3-CD1 3.63Å; W352-L361 HydrophobicContact CE3-CD2 3.6Å; W352-L361 HydrophobicContact CE3-CG 4.29Å; W352-L361 HydrophobicContact CH2-CD2 4.13Å; W352-L361 HydrophobicContact CZ3-CD1 3.85Å; W352-L361 HydrophobicContact CZ3-CD2 3.35Å; W352-L361 HydrophobicContact CZ3-CG 4.24Å; A355-L361 HydrophobicContact CB-CD1 4.48Å; A355-L361 HydrophobicContact CB-CD2 4.04Å; A355-L361 HydrophobicContact CB-CG 3.88Å; A355-L361 PolarHBondContact O-N 3.12Å; A356-L361 HydrophobicContact CB-CD1 3.67Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.41Å; L361-K363 PolarHBondContact O-N 2.99Å; L361-N364 CarbonylContact O-C 3.53Å; L361-N364 PolarHBondContact O-N 3.5Å; L361-F365 HydrophobicContact CD2-CD2 4.04Å; L361-F365 CarbonylContact O-C 3.52Å; L361-F365 WeakPolarHBondContact O-CA 3.4Å; L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 3.24Å; L361-L372 HydrophobicContact CD1-CD1 4.33Å
362L58.5Low65.9Low59 Ų5964.6 Ų64.631%0.30931%0.31SS..Hα-helixtrans-71.2-33.9-166-71.3151000114.3D99 N364D99-L362 HydrophobicContact CB-CD1 3.84Å; D99-L362 WeakPolarHBondContact O-CD1 3.49Å; D99-L362 WeakPolarHBondContact O-CD2 3.46Å; L362-N364 PolarHBondContact O-N 3.39Å
363K63.1Low64.5Low190 Ų19068.1 Ų68.183%0.82633%0.334SS*.Hα-helixtrans-62.4-30.7175.7-170.2176179.6-1790112.4L361L361-K363 PolarHBondContact O-N 2.99Å
364N61.2Low63.2Low55 Ų5563.2 Ų63.229%0.29432%0.323SS..Hα-helixtrans-113.3-10-174.9-61.2-72.9000113.6I310 R314 T360 L361 L362I310-N364 HydrophobicContact CD1-CB 3.45Å; I310-N364 VanDerWaalsContact CD1-CB 3.45Å; I310-N364 HydrophobicContact CG1-CB 4.26Å; R314-N364 PolarHBondContact NH2-O 3.02Å; T360-N364 PolarHBondContact O-ND2 2.88Å; L361-N364 CarbonylContact O-C 3.53Å; L361-N364 PolarHBondContact O-N 3.5Å; L362-N364 PolarHBondContact O-N 3.39Å
365F61.6Low62.1Low14 Ų1461.1 Ų61.16%0.06131%0.314CS..  trans-148.182.1-175.9-60.1-75.7000111.4I310 L313 R314 L361 Q367 S368I310-F365 HydrophobicContact CB-CE2 4.23Å; I310-F365 HydrophobicContact CB-CZ 4.37Å; I310-F365 HydrophobicContact CD1-CD2 3.95Å; I310-F365 HydrophobicContact CD1-CE2 3.35Å; I310-F365 HydrophobicContact CD1-CZ 4.27Å; I310-F365 HydrophobicContact CG1-CE2 4.34Å; I310-F365 HydrophobicContact CG2-CE2 3.77Å; I310-F365 HydrophobicContact CG2-CZ 3.57Å; I310-F365 WeakPolarHBondContact O-CZ 3.48Å; L313-F365 HydrophobicContact CB-CE2 4.42Å; R314-F365 HydrophobicContact CB-CE1 4.46Å; R314-F365 HydrophobicContact CB-CZ 4.45Å; R314-F365 HydrophobicContact CG-CD1 4.45Å; R314-F365 HydrophobicContact CG-CE1 3.18Å; R314-F365 HydrophobicContact CG-CZ 3.39Å; L361-F365 HydrophobicContact CD2-CD2 4.04Å; L361-F365 CarbonylContact O-C 3.52Å; L361-F365 WeakPolarHBondContact O-CA 3.4Å; L361-F365 WeakPolarHBondContact O-CB 3.43Å; L361-F365 PolarHBondContact O-N 3.24Å; F365-Q367 PolarHBondContact O-N 2.62Å; F365-S368 WeakPolarHBondContact O-CB 3.41Å; F365-S368 PolarHBondContact O-N 3.38Å; F365-S368 PolarHBondContact O-OG 3.09Å
366P55.1Low60.9Low103 Ų10365.1 Ų65.167%0.66934%0.338SS*.THydrogen-bonded Turntrans-57.8-19.1175.7-23.533.4000113.7
367Q61.2Low59.7Low84 Ų8466.3 Ų66.339%0.39334%0.344SS..THydrogen-bonded Turntrans-113.420-178.9-62.2178.83.800113.4F365 Y369 I370F365-Q367 PolarHBondContact O-N 2.62Å; Q367-Y369 PolarHBondContact O-N 3.18Å; Q367-I370 HydrophobicContact CB-CD1 4.04Å; Q367-I370 HydrophobicContact CB-CG1 4.29Å; Q367-I370 HydrophobicContact CG-CD1 4.24Å; Q367-I370 WeakPolarHBondContact O-CB 3.32Å; Q367-I370 PolarHBondContact O-N 2.93Å
368S62.1Low58.7Low9 Ų963.3 Ų63.36%0.06333%0.334CS..Hα-helixtrans-46.5-35.5-179.554.50000114F365 I370 W371 L372F365-S368 WeakPolarHBondContact O-CB 3.41Å; F365-S368 PolarHBondContact O-N 3.38Å; F365-S368 PolarHBondContact O-OG 3.09Å; S368-I370 PolarHBondContact O-N 3.11Å; S368-W371 WeakPolarHBondContact O-CB 3.24Å; S368-W371 PolarHBondContact O-N 3.35Å; S368-L372 PolarHBondContact O-N 3.37Å
369Y56.3Low57.3Low122 Ų12267.3 Ų67.348%0.47835%0.352SS..Hα-helixtrans-62.8-36.1177.167-88000113.4Q367 W371 L372 C373Q367-Y369 PolarHBondContact O-N 3.18Å; Y369-W371 VanDerWaalsContact C-N 3.3Å; Y369-W371 PolarHBondContact O-N 3.13Å; Y369-L372 PolarHBondContact O-N 3.09Å; Y369-C373 PolarHBondContact O-N 3.46Å; Y369-C373 PolarHBondContact O-SG 2.98Å
370I57.3Low56.1Low54 Ų5469 Ų6928%0.27736%0.36SS..Hα-helixtrans-64.2-42.1176.2-57.8-175.3000109.5Q367 S368 C373 G374 L387Q367-I370 HydrophobicContact CB-CD1 4.04Å; Q367-I370 HydrophobicContact CB-CG1 4.29Å; Q367-I370 HydrophobicContact CG-CD1 4.24Å; Q367-I370 WeakPolarHBondContact O-CB 3.32Å; Q367-I370 PolarHBondContact O-N 2.93Å; S368-I370 PolarHBondContact O-N 3.11Å; I370-C373 PolarHBondContact O-N 3.35Å; I370-G374 PolarHBondContact O-N 3.02Å; I370-L387 HydrophobicContact CG2-CD1 4.25Å
371W60.3Low54.7Low72 Ų7277.1 Ų77.127%0.27340%0.397SS..Hα-helixtrans-66.1-41.6177.7-61.598.5000111.8P317 W352 S368 Y369 G374 F375P317-W371 HydrophobicContact CG-CE3 3.6Å; P317-W371 HydrophobicContact CG-CZ3 3.83Å; W352-W371 HydrophobicContact CH2-CB 3.52Å; W352-W371 HydrophobicContact CH2-CG 4.3Å; W352-W371 HydrophobicContact CZ2-CB 3.87Å; W352-W371 HydrophobicContact CZ3-CB 4.43Å; S368-W371 WeakPolarHBondContact O-CB 3.24Å; S368-W371 PolarHBondContact O-N 3.35Å; Y369-W371 VanDerWaalsContact C-N 3.3Å; Y369-W371 PolarHBondContact O-N 3.13Å; W371-G374 PolarHBondContact O-N 3.48Å; W371-F375 WeakPolarHBondContact O-CB 3.46Å; W371-F375 PolarHBondContact O-N 3.14Å
372L62.7Low53.2Low55 Ų5581.1 Ų81.129%0.28842%0.421SS..Hα-helixtrans-62.8-40.9173.8-98.8149.3000112.8W352 L361 S368 Y369 G374 F375 T376W352-L372 HydrophobicContact CB-CD2 4.48Å; W352-L372 HydrophobicContact CD2-CG 4.18Å; W352-L372 HydrophobicContact CE3-CD1 3.62Å; W352-L372 HydrophobicContact CE3-CD2 4.46Å; W352-L372 HydrophobicContact CE3-CG 3.67Å; W352-L372 HydrophobicContact CZ3-CD1 3.94Å; W352-L372 HydrophobicContact CZ3-CG 4.09Å; L361-L372 HydrophobicContact CD1-CD1 4.33Å; S368-L372 PolarHBondContact O-N 3.37Å; Y369-L372 PolarHBondContact O-N 3.09Å; L372-G374 VanDerWaalsContact C-N 3.33Å; L372-G374 PolarHBondContact O-N 3.05Å; L372-F375 WeakPolarHBondContact O-CA 3.49Å; L372-F375 WeakPolarHBondContact O-CB 3.47Å; L372-F375 PolarHBondContact O-N 2.97Å; L372-T376 PolarHBondContact O-N 2.87Å; L372-T376 PolarHBondContact O-OG1 3.28Å
373C53.6Low52Low76 Ų7681.1 Ų81.151%0.51443%0.425SS..Hα-helixtrans-63.9-37.3173.5-70.20000112.3Y369 I370 F375 T376Y369-C373 PolarHBondContact O-N 3.46Å; Y369-C373 PolarHBondContact O-SG 2.98Å; I370-C373 PolarHBondContact O-N 3.35Å; C373-F375 PolarHBondContact O-N 3.37Å; C373-T376 PolarHBondContact O-OG1 3.47Å
374G50.4Low50.6Low39 Ų3977.8 Ų77.840%0.40241%0.411SS..Hα-helixtrans-67.1-26.4170.100000113I370 W371 L372I370-G374 PolarHBondContact O-N 3.02Å; W371-G374 PolarHBondContact O-N 3.48Å; L372-G374 VanDerWaalsContact C-N 3.33Å; L372-G374 PolarHBondContact O-N 3.05Å
375F56Low49.2Very low2 Ų284.9 Ų84.91%0.00943%0.434CS..Hα-helixtrans-74.6-45.5-179.4-138.1-105.9000112.8L320 Y345 L348 L349 W371 L372 C373 C377L320-F375 HydrophobicContact CD1-CD2 4.08Å; L320-F375 HydrophobicContact CD1-CE1 4.24Å; L320-F375 HydrophobicContact CD1-CE2 3.33Å; L320-F375 HydrophobicContact CD1-CZ 3.44Å; L320-F375 VanDerWaalsContact CD1-CZ 3.44Å; L320-F375 HydrophobicContact CG-CE2 4.27Å; L320-F375 HydrophobicContact CG-CZ 4.32Å; Y345-F375 HydrophobicContact CD2-CE1 4.31Å; Y345-F375 HydrophobicContact CE2-CD1 4.23Å; Y345-F375 HydrophobicContact CE2-CE1 4.2Å; Y345-F375 VanDerWaalsContact CE2-O 3.29Å; Y345-F375 WeakPolarHBondContact CE2-O 3.48Å; Y345-F375 PolarHBondContact OH-O 3.4Å; Y345-F375 VanDerWaalsContact OH-O 3.06Å; L348-F375 HydrophobicContact CB-CE1 3.72Å; L348-F375 HydrophobicContact CB-CE2 4.45Å; L348-F375 HydrophobicContact CB-CZ 3.32Å; L348-F375 HydrophobicContact CD1-CE2 4.48Å; L348-F375 HydrophobicContact CD1-CZ 3.82Å; L348-F375 HydrophobicContact CG-CZ 4.17Å; L349-F375 HydrophobicContact CB-CE1 4.46Å; L349-F375 HydrophobicContact CD2-CD1 3.57Å; L349-F375 HydrophobicContact CD2-CE1 4.09Å; L349-F375 HydrophobicContact CG-CD1 3.8Å; L349-F375 HydrophobicContact CG-CE1 3.81Å; W371-F375 WeakPolarHBondContact O-CB 3.46Å; W371-F375 PolarHBondContact O-N 3.14Å; L372-F375 WeakPolarHBondContact O-CA 3.49Å; L372-F375 WeakPolarHBondContact O-CB 3.47Å; L372-F375 PolarHBondContact O-N 2.97Å; C373-F375 PolarHBondContact O-N 3.37Å; F375-C377 VanDerWaalsContact C-N 3.28Å; F375-C377 PolarHBondContact O-N 3.07Å
376T53.1Low47.9Very low83 Ų8389.4 Ų89.451%0.50946%0.457SS..Hα-helixtrans-77.9-11.5-176.355.50000114L372 C373 P378L372-T376 PolarHBondContact O-N 2.87Å; L372-T376 PolarHBondContact O-OG1 3.28Å; C373-T376 PolarHBondContact O-OG1 3.47Å; T376-P378 WeakPolarHBondContact O-CD 3.35Å
377C46.4Very low46.9Very low56 Ų5687.1 Ų87.138%0.37844%0.44SS..  trans-122.676.5177.1-83.70000111.5F375 M379 Y380F375-C377 VanDerWaalsContact C-N 3.28Å; F375-C377 PolarHBondContact O-N 3.07Å; C377-M379 PolarHBondContact O-N 2.94Å; C377-Y380 HydrophobicContact CB-CD2 3.92Å; C377-Y380 PolarHBondContact O-N 3.45Å
378P46.1Very low45.7Very low61 Ų6188.2 Ų88.240%0.39645%0.452SS..THydrogen-bonded Turntrans-55.3-17.4175.8-22.731.3000113.7R324 Y345 T376R324-P378 PolarHBondContact NH1-O 3.06Å; Y345-P378 HydrophobicContact CE2-CG 4.19Å; T376-P378 WeakPolarHBondContact O-CD 3.35Å
379M41Very low44.4Very low147 Ų14793.8 Ų93.872%0.72449%0.486SS*.THydrogen-bonded Turntrans-941.6-175.1-73-65.2-151.700116.5R324 C377R324-M379 PolarHBondContact NH2-SD 2.88Å; C377-M379 PolarHBondContact O-N 2.94Å
380Y38.1Very low43.2Very low153 Ų15396.4 Ų96.460%0.651%0.506SS*.  trans-100.695.7-177.2-92.3-92.2000113.3C377 V382C377-Y380 HydrophobicContact CB-CD2 3.92Å; C377-Y380 PolarHBondContact O-N 3.45Å; Y380-V382 HydrophobicContact CD1-CB 4Å; Y380-V382 HydrophobicContact CD1-CG2 3.97Å; Y380-V382 HydrophobicContact CE1-CG2 4.48Å; Y380-V382 PolarHBondContact O-N 2.86Å; Y380-V382 VanDerWaalsContact O-N 3.12Å
381E38.4Very low42.5Very low179 Ų17998.6 Ų98.684%0.83652%0.517SS*.THydrogen-bonded Turntrans-61-9.5164-72.2-173.8150.700113.3
382V34.6Very low41.6Very low90 Ų9099.9 Ų99.955%0.54553%0.53SS..THydrogen-bonded Turntrans-85.1-31.4-171.2-171.30000113.3Y380 F384Y380-V382 HydrophobicContact CD1-CB 4Å; Y380-V382 HydrophobicContact CD1-CG2 3.97Å; Y380-V382 HydrophobicContact CE1-CG2 4.48Å; Y380-V382 PolarHBondContact O-N 2.86Å; Y380-V382 VanDerWaalsContact O-N 3.12Å; V382-F384 PolarHBondContact O-N 3.06Å
383C33.4Very low40.4Very low59 Ų59102.4 Ų102.440%0.39954%0.544SS..Hα-helixtrans-74.9-25.2-178.3-69.90000113.3R385 I386C383-R385 VanDerWaalsContact C-N 3.31Å; C383-R385 PolarHBondContact O-N 3.42Å; C383-I386 PolarHBondContact O-N 3.03Å
384F33.7Very low39.6Very low121 Ų121104 Ų10453%0.53155%0.546SS..Hα-helixtrans-72.7-23.3-179.6-147.1-89000112.9V382 T388V382-F384 PolarHBondContact O-N 3.06Å; F384-T388 PolarHBondContact O-OG1 3.15Å
385R32Very low39Very low204 Ų204108.1 Ų108.177%0.7756%0.555SS**Hα-helixtrans-76.2-21.1174.4-77.9-173.5173.7-175.5-0.7113.6C383 T388 V389C383-R385 VanDerWaalsContact C-N 3.31Å; C383-R385 PolarHBondContact O-N 3.42Å; R385-T388 PolarHBondContact O-OG1 3.09Å; R385-V389 WeakPolarHBondContact O-CG2 3.46Å
386I34.7Very low37.8Very low108 Ų108115.1 Ų115.155%0.55459%0.591SS**Hα-helixtrans-79.3-31176.9-61.6174.4000110.5C383 T388 V389C383-I386 PolarHBondContact O-N 3.03Å; I386-T388 VanDerWaalsContact C-N 3.28Å; I386-T388 PolarHBondContact O-N 3.31Å; I386-V389 PolarHBondContact O-N 3.16Å
387L33.8Very low36.7Very low56 Ų56117.4 Ų117.429%0.29360%0.597SS.*THydrogen-bonded Turntrans-77.1-4.8176.1-84.2157000114.8I370I370-L387 HydrophobicContact CG2-CD1 4.25Å
388T36.3Very low36Very low107 Ų107122.2 Ų122.266%0.65661%0.614SS**THydrogen-bonded Turntrans-101.22.3174.38.30000112.9F384 R385 I386F384-T388 PolarHBondContact O-OG1 3.15Å; R385-T388 PolarHBondContact O-OG1 3.09Å; I386-T388 VanDerWaalsContact C-N 3.28Å; I386-T388 PolarHBondContact O-N 3.31Å
389V33.7Very low35.2Very low126 Ų126127.3 Ų127.376%0.76463%0.632SS**  trans-118.6-1.1-176.2-179.70000112R385 I386R385-V389 WeakPolarHBondContact O-CG2 3.46Å; I386-V389 PolarHBondContact O-N 3.16Å
390I32.2Very low34.6Very low177 Ų177125.5 Ų125.591%0.90862%0.623SS**  trans-118.80169.3-51.3173.8000106.7

Retrieved 390 of 390 residues in 383.1 ms (Link to these results)

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