G4VFH0_SCHMA Loading...

Zinc finger protein 830

AlphaFold DB , UniProt , Accession G4VFH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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
1M42.1Very low58.1Low240 Ų240165.1 Ų165.1100%1.18284%0.84SS**  0126.20-75164.1136.400108.4
2N50.8Low59.3Low155 Ų155158.9 Ų158.983%0.82981%0.809SS**  trans73.880.4161.6-57.89.4000119.5
3N46.9Very low60.8Low169 Ų169152.5 Ų152.590%0.90478%0.784SS**  trans-74.9123.9147.2-76.4-22.3000109.1
4K58Low62.2Low204 Ų204153.3 Ų153.389%0.88778%0.779SS**  trans-143.895.4162.1-141.9169.5-174.3175.40109S6K4-S6 PolarHBondContact O-N 3.02Å
5R55Low63.6Low243 Ų243147.7 Ų147.792%0.91776%0.759SS**  trans-75.1113.1168-66.5179.8-176.1-1730.4107.1
6S58.6Low64.9Low97 Ų97143.2 Ų143.268%0.67874%0.737SS**  trans-74.9120.3165.531.50000108.5K4 D8K4-S6 PolarHBondContact O-N 3.02Å; S6-D8 PolarHBondContact O-N 3.05Å; S6-D8 VanDerWaalsContact O-N 3.12Å
7N59.2Low65.9Low153 Ų153139.4 Ų139.482%0.81872%0.718SS**  trans-7194.4169.1-79.2-29.1000108.4V9N7-V9 PolarHBondContact O-N 3.26Å; N7-V9 VanDerWaalsContact O-N 3.12Å
8D57.7Low66.9Low135 Ų135139.6 Ų139.672%0.72271%0.707SS**  trans-75.397.4167.6-72-29.8000108.5S6 N10S6-D8 PolarHBondContact O-N 3.05Å; S6-D8 VanDerWaalsContact O-N 3.12Å; D8-N10 PolarHBondContact O-N 3.12Å; D8-N10 VanDerWaalsContact O-N 3.12Å
9V67Low67.8Low121 Ų121138.4 Ų138.473%0.73370%0.699SS**  trans-65.1107165.4178.60000106.4N7 I11N7-V9 PolarHBondContact O-N 3.26Å; N7-V9 VanDerWaalsContact O-N 3.12Å; V9-I11 PolarHBondContact O-N 2.72Å
10N70Confident68.4Low147 Ų147136.5 Ų136.579%0.78669%0.69SS**  trans-60.795.4174.7-76.1-47.2000109.6D8 I12D8-N10 PolarHBondContact O-N 3.12Å; D8-N10 VanDerWaalsContact O-N 3.12Å; N10-I12 PolarHBondContact O-N 3.46Å
11I73.5Confident68.9Low152 Ų152134.3 Ų134.378%0.77968%0.68SS**  trans-72.395.9172.5-63.1164000107V9 P13V9-I11 PolarHBondContact O-N 2.72Å; I11-P13 WeakPolarHBondContact O-CD 3.43Å
12I73.1Confident70.5Confident91 Ų91131.2 Ų131.247%0.46766%0.655SS.*  trans-61.1122.4175-60.3172.3000108.4N10 D16 I17N10-I12 PolarHBondContact O-N 3.46Å; I12-D16 HydrophobicContact CG2-CB 3.74Å; I12-I17 HydrophobicContact CB-CG1 4.44Å; I12-I17 HydrophobicContact CG2-CG1 3.93Å
13P78.4Confident71.5Confident76 Ų76127.8 Ų127.849%0.49465%0.648SS.*  trans-57.2143.6179.3-25.834.7000112.5I11 S15 D16 I17I11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-S15 PolarHBondContact O-N 2.8Å; P13-D16 WeakPolarHBondContact O-CA 3.09Å; P13-D16 WeakPolarHBondContact O-CB 3.47Å; P13-D16 PolarHBondContact O-N 3.2Å; P13-I17 PolarHBondContact O-N 3.37Å; P13-I17 VanDerWaalsContact O-N 3.16Å
14K80.7Confident72.5Confident163 Ų163124.2 Ų124.271%0.70963%0.632SS**Hα-helixtrans-56.2-24.6178.3-69.9-178.2179173.90113.8R18K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.26Å; K14-R18 PolarHBondContact O-NE 3.24Å
15S83.4Confident72.7Confident69 Ų69121.1 Ų121.148%0.48362%0.619SS.*Hα-helixtrans-66.8-39.4172.648.20000111.8P13 R18 Q19P13-S15 PolarHBondContact O-N 2.8Å; S15-R18 PolarHBondContact O-N 3.45Å; S15-Q19 WeakPolarHBondContact O-CG 3.46Å; S15-Q19 PolarHBondContact O-N 3.21Å
16D83.4Confident72.8Confident76 Ų76113 Ų11341%0.40660%0.598SS.*Hα-helixtrans-76.1-37.9-177.3-16122.8000111I12 P13 R18 Q19 L20I12-D16 HydrophobicContact CG2-CB 3.74Å; P13-D16 WeakPolarHBondContact O-CA 3.09Å; P13-D16 WeakPolarHBondContact O-CB 3.47Å; P13-D16 PolarHBondContact O-N 3.2Å; D16-R18 VanDerWaalsContact C-N 3.27Å; D16-R18 PolarHBondContact O-N 3.38Å; D16-Q19 CarbonylContact O-C 3.58Å; D16-Q19 PolarHBondContact O-N 3.29Å; D16-Q19 VanDerWaalsContact O-N 3.11Å; D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 PolarHBondContact O-N 3.48Å
17I82.5Confident72.6Confident79 Ų79116.7 Ų116.741%0.40560%0.604SS.*Hα-helixtrans-57.1-41.3168.8-58.9173.6000111.2I12 P13 L20 I21I12-I17 HydrophobicContact CB-CG1 4.44Å; I12-I17 HydrophobicContact CG2-CG1 3.93Å; P13-I17 PolarHBondContact O-N 3.37Å; P13-I17 VanDerWaalsContact O-N 3.16Å; I17-L20 PolarHBondContact O-N 3.33Å; I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 HydrophobicContact CG2-CG1 4.5Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.49Å
18R84.1Confident72.3Confident142 Ų142113.8 Ų113.854%0.53660%0.601SS.*Hα-helixtrans-69.9-35.8177.4-78.7-180-80.3-136.84.8112.5K14 S15 D16 R22K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.26Å; K14-R18 PolarHBondContact O-NE 3.24Å; S15-R18 PolarHBondContact O-N 3.45Å; D16-R18 VanDerWaalsContact C-N 3.27Å; D16-R18 PolarHBondContact O-N 3.38Å; R18-R22 VanDerWaalsContact O-CG 3.31Å; R18-R22 WeakPolarHBondContact O-CG 3.4Å; R18-R22 PolarHBondContact O-N 3.19Å
19Q83.1Confident72.3Confident117 Ų117113.8 Ų113.855%0.54760%0.597SS.*Hα-helixtrans-66.6-42.7172.5-72.4-178.818.800110.5S15 D16 R22 A23S15-Q19 WeakPolarHBondContact O-CG 3.46Å; S15-Q19 PolarHBondContact O-N 3.21Å; D16-Q19 CarbonylContact O-C 3.58Å; D16-Q19 PolarHBondContact O-N 3.29Å; D16-Q19 VanDerWaalsContact O-N 3.11Å; Q19-R22 CarbonylContact O-C 3.48Å; Q19-R22 PolarHBondContact O-N 3.03Å; Q19-R22 VanDerWaalsContact O-N 3.13Å; Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.41Å; Q19-A23 PolarHBondContact O-N 3.07Å
20L80.4Confident72.2Confident100 Ų100116.1 Ų116.152%0.52459%0.593SS.*Hα-helixtrans-60.8-46.6175.3-168.263.6000111D16 I17 R22 A23 T24D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 PolarHBondContact O-N 3.48Å; I17-L20 PolarHBondContact O-N 3.33Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 3.03Å; L20-A23 CarbonylContact O-C 3.58Å; L20-A23 PolarHBondContact O-N 3.34Å; L20-A23 VanDerWaalsContact O-N 3.15Å; L20-T24 HydrophobicContact CD1-CG2 4.13Å; L20-T24 HydrophobicContact CG-CG2 4.26Å; L20-T24 WeakPolarHBondContact O-CB 3.34Å; L20-T24 WeakPolarHBondContact O-CG2 3.47Å; L20-T24 PolarHBondContact O-N 3.18Å; L20-T24 PolarHBondContact O-OG1 3.1Å
21I78.4Confident72.4Confident91 Ų91113.5 Ų113.547%0.46758%0.582SS.*Hα-helixtrans-61.4-34.5174.6-68.6165.7000112.2I17 T24 K25I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 HydrophobicContact CG2-CG1 4.5Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.49Å; I21-T24 WeakPolarHBondContact CA-OG1 3.39Å; I21-K25 VanDerWaalsContact O-CB 3.29Å; I21-K25 WeakPolarHBondContact O-CB 3.45Å; I21-K25 WeakPolarHBondContact O-CG 3.48Å; I21-K25 PolarHBondContact O-N 2.75Å
22R77.2Confident72.9Confident175 Ų175107.4 Ų107.466%0.6655%0.551SS**Hα-helixtrans-74.2-35.1175.4-73.1176.6-161.4160.42112.1R18 Q19 L20R18-R22 VanDerWaalsContact O-CG 3.31Å; R18-R22 WeakPolarHBondContact O-CG 3.4Å; R18-R22 PolarHBondContact O-N 3.19Å; Q19-R22 CarbonylContact O-C 3.48Å; Q19-R22 PolarHBondContact O-N 3.03Å; Q19-R22 VanDerWaalsContact O-N 3.13Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 3.03Å
23A70.6Confident73.4Confident83 Ų83110.8 Ų110.869%0.68657%0.57SS**Hα-helixtrans-77.1-33.4178.100000112.3Q19 L20Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.41Å; Q19-A23 PolarHBondContact O-N 3.07Å; L20-A23 CarbonylContact O-C 3.58Å; L20-A23 PolarHBondContact O-N 3.34Å; L20-A23 VanDerWaalsContact O-N 3.15Å
24T68Low73.8Confident94 Ų94109.8 Ų109.858%0.57756%0.558SS**Hα-helixtrans-87-14.2174.756.40000113L20 I21 P26L20-T24 HydrophobicContact CD1-CG2 4.13Å; L20-T24 HydrophobicContact CG-CG2 4.26Å; L20-T24 WeakPolarHBondContact O-CB 3.34Å; L20-T24 WeakPolarHBondContact O-CG2 3.47Å; L20-T24 PolarHBondContact O-N 3.18Å; L20-T24 PolarHBondContact O-OG1 3.1Å; I21-T24 WeakPolarHBondContact CA-OG1 3.39Å; T24-P26 WeakPolarHBondContact O-CD 3.41Å
25K62.6Low74.2Confident140 Ų140107.2 Ų107.261%0.60956%0.558SS**SBendtrans-58.9121165.5-106-177.9176.4-1760107.7I21 Q27I21-K25 VanDerWaalsContact O-CB 3.29Å; I21-K25 WeakPolarHBondContact O-CB 3.45Å; I21-K25 WeakPolarHBondContact O-CG 3.48Å; I21-K25 PolarHBondContact O-N 2.75Å; K25-Q27 VanDerWaalsContact C-N 3.28Å; K25-Q27 PolarHBondContact O-N 3.29Å
26P57.8Low74.5Confident73 Ų73106 Ų10647%0.47455%0.545SS..  trans-69.885.2-174.127.6-33.9000110T24T24-P26 WeakPolarHBondContact O-CD 3.41Å
27Q54Low75Confident174 Ų174103.3 Ų103.381%0.81353%0.533SS*.  trans-73.9-23.4163.5-69.3-154.9-18.300111K25 Q29K25-Q27 VanDerWaalsContact C-N 3.28Å; K25-Q27 PolarHBondContact O-N 3.29Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.09Å
28A53Low75.4Confident91 Ų91107.5 Ų107.575%0.75254%0.544SS*.THydrogen-bonded Turntrans-78-2.7-174.500000115.3
29Q57.3Low75.7Confident135 Ų135104.4 Ų104.463%0.63153%0.533SS*.THydrogen-bonded Turntrans-110.212-177.9-75.8-179.7-36.400114.2Q27Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.09Å
30R64.6Low76Confident171 Ų171102.5 Ų102.565%0.64553%0.526SS*.  trans-93.44.5178.9-55.9-55.4-172.7173.25.4113.8Y39R30-Y39 PolarHBondContact O-OH 3.32Å; R30-Y39 VanDerWaalsContact O-OH 3.11Å
31T74.6Confident76.4Confident91 Ų91106.4 Ų106.456%0.55854%0.542SS*.  trans-92.4118.3175.452.30000109.4Y39T31-Y39 WeakPolarHBondContact CA-OH 3.13Å
32I82.7Confident76.8Confident25 Ų25107.7 Ų107.713%0.12855%0.549CS..  trans-98.8115.2175.4-53.4177.3000106H34 Y39 I45 E57 W60I32-H34 HydrophobicContact CG2-CB 4.21Å; I32-H34 PolarHBondContact O-N 3.04Å; I32-H34 VanDerWaalsContact O-N 3.14Å; I32-Y39 PolarHBondContact N-OH 3.19Å; I32-I45 HydrophobicContact CB-CD1 3.87Å; I32-I45 HydrophobicContact CD1-CD1 3.6Å; I32-I45 HydrophobicContact CG1-CD1 4.06Å; I32-E57 HydrophobicContact CD1-CB 3.89Å; I32-E57 HydrophobicContact CD1-CG 3.82Å; I32-E57 HydrophobicContact CG1-CB 4.32Å; I32-E57 HydrophobicContact CG1-CG 4.02Å; I32-W60 HydrophobicContact CD1-CB 3.41Å; I32-W60 VanDerWaalsContact CD1-CB 3.41Å; I32-W60 HydrophobicContact CD1-CD2 4.18Å; I32-W60 HydrophobicContact CD1-CG 3.42Å; I32-W60 VanDerWaalsContact CD1-CG 3.42Å; I32-W60 HydrophobicContact CG2-CG 4.35Å
33D84.2Confident77.2Confident161 Ų161101.8 Ų101.886%0.86154%0.542SS*.  trans-84.386.1176.2-64.2-27.1000108.8
34H87Confident78Confident55 Ų55104.7 Ų104.726%0.25554%0.536SS..  trans-127.5137.9175.6-168-84.4000110.6I32 H36 A37 W60I32-H34 HydrophobicContact CG2-CB 4.21Å; I32-H34 PolarHBondContact O-N 3.04Å; I32-H34 VanDerWaalsContact O-N 3.14Å; H34-H36 AromaticContact CE1-CD2 3.88Å; H34-H36 PolarHBondContact ND1-N 3.39Å; H34-H36 PolarHBondContact O-N 2.94Å; H34-A37 HydrophobicContact CB-CB 3.93Å; H34-A37 WeakPolarHBondContact O-CB 3.08Å; H34-A37 PolarHBondContact O-N 3.4Å; H34-W60 HydrophobicContact CB-CZ2 3.74Å; H34-W60 AromaticContact CG-CZ2 3.68Å; H34-W60 AromaticContact CG-NE1 3.92Å; H34-W60 AromaticContact ND1-CZ2 3.59Å
35P90Very high79Confident109 Ų109100.8 Ų100.871%0.70851%0.511SS*.THydrogen-bonded Turntrans-58.5-25.9-175.922.2-35.1000114
36H89.2Confident80.4Confident45 Ų4595.2 Ų95.221%0.20849%0.489CS..THydrogen-bonded Turntrans-100.75.3177.2-58.5-50.5000114.7H34 I48 L49H34-H36 AromaticContact CE1-CD2 3.88Å; H34-H36 PolarHBondContact ND1-N 3.39Å; H34-H36 PolarHBondContact O-N 2.94Å; H36-I48 WeakPolarHBondContact O-CG1 3.41Å; H36-I48 PolarHBondContact O-N 3.42Å; H36-L49 HydrophobicContact CB-CD1 4.33Å; H36-L49 HydrophobicContact CB-CG 4.24Å
37A92.6Very high82.1Confident18 Ų1891.8 Ų91.815%0.14947%0.467CS..EExtended strand (participates in β ladder)trans-84.7133.9176.200000111.2H34 I45 W60H34-A37 HydrophobicContact CB-CB 3.93Å; H34-A37 WeakPolarHBondContact O-CB 3.08Å; H34-A37 PolarHBondContact O-N 3.4Å; A37-I45 HydrophobicContact CB-CD1 3.66Å; A37-I45 HydrophobicContact CB-CG1 4.22Å; A37-W60 VanDerWaalsContact CA-CH2 3.44Å; A37-W60 HydrophobicContact CB-CH2 3.68Å; A37-W60 HydrophobicContact CB-CZ2 3.69Å; A37-W60 HydrophobicContact CB-CZ3 4.28Å
38R91.5Very high83.9Confident167 Ų16787 Ų8763%0.6345%0.447SS*.EExtended strand (participates in β ladder)trans-127.4139.3172.6176.7176.7178.6179.11.4109.8I45 S46 I48R38-I45 CarbonylContact O-C 3.57Å; R38-I45 WeakPolarHBondContact O-CA 3.33Å; R38-S46 PolarHBondContact N-O 3.32Å; R38-S46 PolarHBondContact O-N 2.8Å; R38-S46 PolarHBondContact O-OG 3.27Å; R38-I48 HydrophobicContact CB-CD1 4.09Å; R38-I48 HydrophobicContact CB-CG1 3.6Å
39Y91.8Very high85.7Confident78 Ų7883.4 Ų83.431%0.30642%0.415SS..EExtended strand (participates in β ladder)trans-101.4136.9173.7-72.5-90.2000110.8R30 T31 I32 G43 R44 I45R30-Y39 PolarHBondContact O-OH 3.32Å; R30-Y39 VanDerWaalsContact O-OH 3.11Å; T31-Y39 WeakPolarHBondContact CA-OH 3.13Å; I32-Y39 PolarHBondContact N-OH 3.19Å; Y39-G43 WeakPolarHBondContact CD1-O 3.41Å; Y39-R44 WeakPolarHBondContact CA-O 3.43Å; Y39-I45 HydrophobicContact CD1-CB 4.3Å; Y39-I45 HydrophobicContact CE1-CB 3.81Å; Y39-I45 HydrophobicContact CE1-CG1 4.48Å; Y39-I45 HydrophobicContact CE2-CD1 4.31Å
40N88.7Confident87.3Confident76 Ų7677.8 Ų77.841%0.40639%0.39SS..  trans-80.2167.2169.5-1643.1000110.3L42 G43 R44N40-L42 PolarHBondContact O-N 3.02Å; N40-G43 PolarHBondContact O-N 3Å; N40-R44 PolarHBondContact N-O 2.97Å
41Q88.7Confident88.5Confident182 Ų18272.5 Ų72.585%0.8539%0.389SS*.THydrogen-bonded Turntrans-56.1-19.617569.5-175.57.700113.9
42L87.2Confident89.3Confident119 Ų11971.4 Ų71.462%0.62338%0.382SS*.THydrogen-bonded Turntrans-91.14.7175.9-58.9178.4000113.5N40 R44N40-L42 PolarHBondContact O-N 3.02Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 3.37Å
43G85.6Confident89.6Confident50 Ų5076.2 Ų76.252%0.51540%0.404SS..SBendtrans75.27.8-17800000115.4Y39 N40Y39-G43 WeakPolarHBondContact CD1-O 3.41Å; N40-G43 PolarHBondContact O-N 3Å
44R86.6Confident89.9Confident145 Ų14569.1 Ų69.155%0.54737%0.366SS..  trans-78.2135.1173.7-64-176.3-177.4166.50.6110.6Y39 N40 L42Y39-R44 WeakPolarHBondContact CA-O 3.43Å; N40-R44 PolarHBondContact N-O 2.97Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 3.37Å
45I90.2Very high89.8Confident11 Ų1176 Ų766%0.05640%0.395CS..EExtended strand (participates in β ladder)trans-79.5141.1175.5-177160.3000111.1I32 A37 R38 Y39 I54 W60I32-I45 HydrophobicContact CB-CD1 3.87Å; I32-I45 HydrophobicContact CD1-CD1 3.6Å; I32-I45 HydrophobicContact CG1-CD1 4.06Å; A37-I45 HydrophobicContact CB-CD1 3.66Å; A37-I45 HydrophobicContact CB-CG1 4.22Å; R38-I45 CarbonylContact O-C 3.57Å; R38-I45 WeakPolarHBondContact O-CA 3.33Å; Y39-I45 HydrophobicContact CD1-CB 4.3Å; Y39-I45 HydrophobicContact CE1-CB 3.81Å; Y39-I45 HydrophobicContact CE1-CG1 4.48Å; Y39-I45 HydrophobicContact CE2-CD1 4.31Å; I45-I54 HydrophobicContact CG2-CB 4.02Å; I45-I54 HydrophobicContact CG2-CG2 4.19Å; I45-I54 VanDerWaalsContact CG2-O 3.23Å; I45-I54 WeakPolarHBondContact CG2-O 3.31Å; I45-I54 PolarHBondContact O-N 3.43Å; I45-W60 HydrophobicContact CD1-CD2 3.62Å; I45-W60 HydrophobicContact CD1-CE3 3.4Å; I45-W60 HydrophobicContact CD1-CG 4.18Å; I45-W60 HydrophobicContact CD1-CH2 4.38Å; I45-W60 HydrophobicContact CD1-CZ3 3.82Å; I45-W60 HydrophobicContact CG1-CD2 4.31Å; I45-W60 HydrophobicContact CG1-CE3 3.56Å; I45-W60 HydrophobicContact CG1-CZ3 3.72Å
46S92.1Very high89.5Confident23 Ų2372.2 Ų72.216%0.16137%0.371CS..EExtended strand (participates in β ladder)trans-137.3147.6172.863.10000110.5R38 V52R38-S46 PolarHBondContact N-O 3.32Å; R38-S46 PolarHBondContact O-N 2.8Å; R38-S46 PolarHBondContact O-OG 3.27Å; S46-V52 CarbonylContact C-O 3.57Å; S46-V52 WeakPolarHBondContact CA-O 3.38Å; S46-V52 WeakPolarHBondContact CB-O 3.39Å
47C92.8Very high89.3Confident1 Ų174.4 Ų74.41%0.00738%0.381CS..EExtended strand (participates in β ladder)trans-82.2126.8174.9179.20000110L49 C50 G51 V52 I54 W60 H63 H69C47-L49 VanDerWaalsContact C-N 3.32Å; C47-L49 PolarHBondContact O-N 3.47Å; C47-L49 PolarHBondContact SG-N 3.22Å; C47-L49 VanDerWaalsContact SG-N 3.44Å; C47-C50 HydrophobicContact CB-CB 4.23Å; C47-G51 VanDerWaalsContact O-CA 3.31Å; C47-G51 WeakPolarHBondContact O-CA 3.43Å; C47-G51 PolarHBondContact O-N 2.94Å; C47-V52 PolarHBondContact N-O 2.95Å; C47-I54 HydrophobicContact CB-CD1 4.38Å; C47-W60 HydrophobicContact CB-CH2 4.05Å; C47-W60 HydrophobicContact CB-CZ3 3.84Å; C47-H63 WeakPolarHBondContact CB-NE2 3.4Å; C47-H63 PolarHBondContact SG-NE2 3.49Å; C47-H69 PolarHBondContact SG-CE1 2.88Å; C47-H69 PolarHBondContact SG-ND1 3.44Å
48I91.8Very high89Confident75 Ų7575.8 Ų75.839%0.38538%0.384SS..THydrogen-bonded Turntrans-63.7-39.1178.1-62.7169.8000111.2H36 R38H36-I48 WeakPolarHBondContact O-CG1 3.41Å; H36-I48 PolarHBondContact O-N 3.42Å; R38-I48 HydrophobicContact CB-CD1 4.09Å; R38-I48 HydrophobicContact CB-CG1 3.6Å
49L90.8Very high88.8Confident15 Ų1569.4 Ų69.48%0.07937%0.367CS..THydrogen-bonded Turntrans-73.6-40.4-177.6-61.5178.7000112.6H36 C47 N72 E73H36-L49 HydrophobicContact CB-CD1 4.33Å; H36-L49 HydrophobicContact CB-CG 4.24Å; C47-L49 VanDerWaalsContact C-N 3.32Å; C47-L49 PolarHBondContact O-N 3.47Å; C47-L49 PolarHBondContact SG-N 3.22Å; C47-L49 VanDerWaalsContact SG-N 3.44Å; L49-N72 HydrophobicContact CB-CB 4.2Å; L49-E73 HydrophobicContact CD1-CB 3.79Å; L49-E73 HydrophobicContact CD1-CG 4.14Å
50C91Very high88.8Confident16 Ų1665.9 Ų65.911%0.10835%0.353CS..THydrogen-bonded Turntrans-97.4-18.3-175.1-59.30000113.8C47 V52 H63 N72C47-C50 HydrophobicContact CB-CB 4.23Å; C50-V52 HydrophobicContact CB-CB 4.38Å; C50-V52 HydrophobicContact CB-CG2 3.82Å; C50-V52 PolarHBondContact O-N 3.31Å; C50-H63 VanDerWaalsContact SG-CE1 3.56Å; C50-N72 PolarHBondContact SG-ND2 2.9Å
51G89.8Confident88.8Confident60 Ų6064.6 Ų64.662%0.61935%0.348SS*.  trans67.714.6-173.400000114.2C47C47-G51 VanDerWaalsContact O-CA 3.31Å; C47-G51 WeakPolarHBondContact O-CA 3.43Å; C47-G51 PolarHBondContact O-N 2.94Å
52V90.2Very high88.9Confident69 Ų6957.2 Ų57.242%0.41832%0.318SS..  trans-89.5131.7-176.3-179.90000109.9S46 C47 C50 I54S46-V52 CarbonylContact C-O 3.57Å; S46-V52 WeakPolarHBondContact CA-O 3.38Å; S46-V52 WeakPolarHBondContact CB-O 3.39Å; C47-V52 PolarHBondContact N-O 2.95Å; C50-V52 HydrophobicContact CB-CB 4.38Å; C50-V52 HydrophobicContact CB-CG2 3.82Å; C50-V52 PolarHBondContact O-N 3.31Å; V52-I54 HydrophobicContact CG1-CG1 4.37Å
53Q90.6Very high89.1Confident126 Ų12652.7 Ų52.759%0.58929%0.294SS*.EExtended strand (participates in β ladder)trans-83130172.3-63.6177.629.400109.8
54I90.5Very high89.4Confident12 Ų1252.1 Ų52.16%0.06228%0.279CS..EExtended strand (participates in β ladder)trans-118.4130-173-66.9158.7000108.2I45 C47 V52 S56 A59 W60 H63I45-I54 HydrophobicContact CG2-CB 4.02Å; I45-I54 HydrophobicContact CG2-CG2 4.19Å; I45-I54 VanDerWaalsContact CG2-O 3.23Å; I45-I54 WeakPolarHBondContact CG2-O 3.31Å; I45-I54 PolarHBondContact O-N 3.43Å; C47-I54 HydrophobicContact CB-CD1 4.38Å; V52-I54 HydrophobicContact CG1-CG1 4.37Å; I54-S56 VanDerWaalsContact CG2-O 3.28Å; I54-S56 WeakPolarHBondContact CG2-O 3.27Å; I54-A59 HydrophobicContact CG2-CB 3.72Å; I54-W60 HydrophobicContact CB-CE3 4.5Å; I54-W60 HydrophobicContact CD1-CD2 4.33Å; I54-W60 HydrophobicContact CD1-CE3 3.3Å; I54-W60 HydrophobicContact CD1-CZ3 3.66Å; I54-W60 HydrophobicContact CG1-CE3 4.47Å; I54-W60 HydrophobicContact CG2-CB 3.99Å; I54-H63 HydrophobicContact CD1-CB 3.63Å; I54-H63 VanDerWaalsContact CD1-CG 3.45Å; I54-H63 HydrophobicContact CG1-CB 4.42Å
55K84.4Confident89.6Confident200 Ų20048.5 Ų48.587%0.8727%0.27SS*.SBendtrans-86.2-31.2-168.9-65.1-176.7179.3-176.50113.6
56S84Confident89.5Confident29 Ų2949.8 Ų49.820%0.20328%0.28CS..SBendtrans-133.4156.7-177.667.40000111.4I54 F58 A59 W60I54-S56 VanDerWaalsContact CG2-O 3.28Å; I54-S56 WeakPolarHBondContact CG2-O 3.27Å; S56-F58 PolarHBondContact O-N 2.98Å; S56-A59 PolarHBondContact O-N 3.15Å; S56-A59 WeakPolarHBondContact OG-CB 3.25Å; S56-A59 PolarHBondContact OG-N 3.3Å; S56-A59 VanDerWaalsContact OG-N 3.13Å; S56-W60 PolarHBondContact O-N 3.07Å; S56-W60 VanDerWaalsContact O-N 3.11Å
57E84.5Confident89.4Confident91 Ų9157.6 Ų57.643%0.42531%0.311SS..Hα-helixtrans-59.4-36.1174172.4176.6-168.600112.2I32 W60 T61I32-E57 HydrophobicContact CD1-CB 3.89Å; I32-E57 HydrophobicContact CD1-CG 3.82Å; I32-E57 HydrophobicContact CG1-CB 4.32Å; I32-E57 HydrophobicContact CG1-CG 4.02Å; E57-W60 WeakPolarHBondContact O-CA 3.43Å; E57-W60 VanDerWaalsContact O-CB 3.22Å; E57-W60 WeakPolarHBondContact O-CB 3.47Å; E57-W60 PolarHBondContact O-N 3.31Å; E57-T61 PolarHBondContact O-N 3.21Å; E57-T61 VanDerWaalsContact O-N 3.15Å
58F85.5Confident89.3Confident47 Ų4760.5 Ų60.521%0.20633%0.331CS..Hα-helixtrans-69.8-35.2177.6-170.1-91.8000112.7S56 W60 T61 A62 E195 V198 S199S56-F58 PolarHBondContact O-N 2.98Å; F58-W60 PolarHBondContact O-N 2.98Å; F58-T61 PolarHBondContact O-N 3.45Å; F58-T61 PolarHBondContact O-OG1 2.91Å; F58-A62 PolarHBondContact O-N 3.31Å; F58-E195 HydrophobicContact CD1-CB 4.15Å; F58-E195 HydrophobicContact CD1-CG 3.84Å; F58-E195 HydrophobicContact CD2-CG 4.06Å; F58-E195 HydrophobicContact CE1-CB 4.04Å; F58-E195 HydrophobicContact CE1-CG 3.74Å; F58-E195 WeakPolarHBondContact CE1-O 3.42Å; F58-E195 HydrophobicContact CE2-CG 4.01Å; F58-E195 HydrophobicContact CG-CG 3.98Å; F58-E195 HydrophobicContact CZ-CG 3.84Å; F58-E195 WeakPolarHBondContact CZ-O 3.4Å; F58-V198 HydrophobicContact CD1-CB 4.29Å; F58-V198 HydrophobicContact CD1-CG2 4.33Å; F58-V198 HydrophobicContact CE1-CB 3.24Å; F58-V198 HydrophobicContact CE1-CG1 3.7Å; F58-V198 HydrophobicContact CE1-CG2 3.62Å; F58-V198 HydrophobicContact CZ-CB 3.48Å; F58-V198 VanDerWaalsContact CZ-CB 3.48Å; F58-V198 HydrophobicContact CZ-CG1 3.67Å; F58-V198 HydrophobicContact CZ-CG2 4.36Å; F58-S199 VanDerWaalsContact CZ-OG 3.28Å; F58-S199 WeakPolarHBondContact CZ-OG 3.27Å
59A88.1Confident89.3Confident32 Ų3257 Ų5726%0.26431%0.313SS..Hα-helixtrans-68.5-24.1169.800000112.4I54 S56 H63I54-A59 HydrophobicContact CG2-CB 3.72Å; S56-A59 PolarHBondContact O-N 3.15Å; S56-A59 WeakPolarHBondContact OG-CB 3.25Å; S56-A59 PolarHBondContact OG-N 3.3Å; S56-A59 VanDerWaalsContact OG-N 3.13Å; A59-H63 VanDerWaalsContact O-CB 3.3Å; A59-H63 WeakPolarHBondContact O-CB 3.48Å; A59-H63 PolarHBondContact O-N 3.01Å
60W91.6Very high89.4Confident4 Ų460.7 Ų60.72%0.01533%0.328CS..Hα-helixtrans-69.7-45.9175175-91.4000112I32 H34 A37 I45 C47 I54 S56 E57 F58 A62 H63 I64I32-W60 HydrophobicContact CD1-CB 3.41Å; I32-W60 VanDerWaalsContact CD1-CB 3.41Å; I32-W60 HydrophobicContact CD1-CD2 4.18Å; I32-W60 HydrophobicContact CD1-CG 3.42Å; I32-W60 VanDerWaalsContact CD1-CG 3.42Å; I32-W60 HydrophobicContact CG2-CG 4.35Å; H34-W60 HydrophobicContact CB-CZ2 3.74Å; H34-W60 AromaticContact CG-CZ2 3.68Å; H34-W60 AromaticContact CG-NE1 3.92Å; H34-W60 AromaticContact ND1-CZ2 3.59Å; A37-W60 VanDerWaalsContact CA-CH2 3.44Å; A37-W60 HydrophobicContact CB-CH2 3.68Å; A37-W60 HydrophobicContact CB-CZ2 3.69Å; A37-W60 HydrophobicContact CB-CZ3 4.28Å; I45-W60 HydrophobicContact CD1-CD2 3.62Å; I45-W60 HydrophobicContact CD1-CE3 3.4Å; I45-W60 HydrophobicContact CD1-CG 4.18Å; I45-W60 HydrophobicContact CD1-CH2 4.38Å; I45-W60 HydrophobicContact CD1-CZ3 3.82Å; I45-W60 HydrophobicContact CG1-CD2 4.31Å; I45-W60 HydrophobicContact CG1-CE3 3.56Å; I45-W60 HydrophobicContact CG1-CZ3 3.72Å; C47-W60 HydrophobicContact CB-CH2 4.05Å; C47-W60 HydrophobicContact CB-CZ3 3.84Å; I54-W60 HydrophobicContact CB-CE3 4.5Å; I54-W60 HydrophobicContact CD1-CD2 4.33Å; I54-W60 HydrophobicContact CD1-CE3 3.3Å; I54-W60 HydrophobicContact CD1-CZ3 3.66Å; I54-W60 HydrophobicContact CG1-CE3 4.47Å; I54-W60 HydrophobicContact CG2-CB 3.99Å; S56-W60 PolarHBondContact O-N 3.07Å; S56-W60 VanDerWaalsContact O-N 3.11Å; E57-W60 WeakPolarHBondContact O-CA 3.43Å; E57-W60 VanDerWaalsContact O-CB 3.22Å; E57-W60 WeakPolarHBondContact O-CB 3.47Å; E57-W60 PolarHBondContact O-N 3.31Å; F58-W60 PolarHBondContact O-N 2.98Å; W60-A62 VanDerWaalsContact C-N 3.31Å; W60-A62 PolarHBondContact O-N 2.88Å; W60-H63 WeakPolarHBondContact O-CB 3.48Å; W60-H63 PolarHBondContact O-N 3.48Å; W60-I64 HydrophobicContact CD2-CG2 4.28Å; W60-I64 HydrophobicContact CH2-CG2 4.46Å; W60-I64 HydrophobicContact CZ2-CG2 3.7Å; W60-I64 PolarHBondContact O-N 3.41Å
61T89.7Confident89.3Confident49 Ų4964.4 Ų64.430%0.30134%0.344SS..Hα-helixtrans-60.6-42.4176.858.50000111.1E57 F58 H63 I64 L65E57-T61 PolarHBondContact O-N 3.21Å; E57-T61 VanDerWaalsContact O-N 3.15Å; F58-T61 PolarHBondContact O-N 3.45Å; F58-T61 PolarHBondContact O-OG1 2.91Å; T61-H63 VanDerWaalsContact C-N 3.31Å; T61-H63 PolarHBondContact O-N 3.36Å; T61-I64 WeakPolarHBondContact O-CG1 3.2Å; T61-L65 WeakPolarHBondContact O-CG 3.4Å; T61-L65 PolarHBondContact O-N 2.9Å
62A90.2Very high89.3Confident28 Ų2863.3 Ų63.323%0.23132%0.324CS..Hα-helixtrans-61.4-39.517300000112.6F58 W60 S66 V198F58-A62 PolarHBondContact O-N 3.31Å; W60-A62 VanDerWaalsContact C-N 3.31Å; W60-A62 PolarHBondContact O-N 2.88Å; A62-S66 PolarHBondContact O-N 3.49Å; A62-V198 HydrophobicContact CB-CB 4.35Å; A62-V198 HydrophobicContact CB-CG1 3.68Å; A62-V198 HydrophobicContact CB-CG2 3.69Å
63H91.6Very high89.2Confident24 Ų2464.8 Ų64.811%0.11133%0.327CS..Hα-helixtrans-64.7-48.7-179.4175.177000112.1C47 C50 I54 A59 W60 T61 L65 S66 H69C47-H63 WeakPolarHBondContact CB-NE2 3.4Å; C47-H63 PolarHBondContact SG-NE2 3.49Å; C50-H63 VanDerWaalsContact SG-CE1 3.56Å; I54-H63 HydrophobicContact CD1-CB 3.63Å; I54-H63 VanDerWaalsContact CD1-CG 3.45Å; I54-H63 HydrophobicContact CG1-CB 4.42Å; A59-H63 VanDerWaalsContact O-CB 3.3Å; A59-H63 WeakPolarHBondContact O-CB 3.48Å; A59-H63 PolarHBondContact O-N 3.01Å; W60-H63 WeakPolarHBondContact O-CB 3.48Å; W60-H63 PolarHBondContact O-N 3.48Å; T61-H63 VanDerWaalsContact C-N 3.31Å; T61-H63 PolarHBondContact O-N 3.36Å; H63-L65 VanDerWaalsContact C-N 3.25Å; H63-L65 PolarHBondContact O-N 3.34Å; H63-S66 WeakPolarHBondContact O-CB 3.34Å; H63-S66 PolarHBondContact O-N 3.16Å; H63-S66 PolarHBondContact O-OG 2.91Å; H63-H69 AromaticContact CD2-ND1 3.55Å; H63-H69 AromaticContact NE2-ND1 3.23Å; H63-H69 PolarHBondContact NE2-ND1 3.46Å; H63-H69 WeakPolarHBondContact O-CB 3.5Å
64I92.3Very high89Confident38 Ų3866.3 Ų66.320%0.19534%0.338CS..Hα-helixtrans-65.8-29.9-17862.7174.3000112.3W60 T61 S66 H69W60-I64 HydrophobicContact CD2-CG2 4.28Å; W60-I64 HydrophobicContact CH2-CG2 4.46Å; W60-I64 HydrophobicContact CZ2-CG2 3.7Å; W60-I64 PolarHBondContact O-N 3.41Å; T61-I64 WeakPolarHBondContact O-CG1 3.2Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-H69 PolarHBondContact O-CD2 3.46Å
65L89.5Confident88.5Confident69 Ų6973.5 Ų73.536%0.36136%0.364SS..Hα-helixtrans-78.7-15.1175.5-63.4176.3000113.1T61 H63 K70T61-L65 WeakPolarHBondContact O-CG 3.4Å; T61-L65 PolarHBondContact O-N 2.9Å; H63-L65 VanDerWaalsContact C-N 3.25Å; H63-L65 PolarHBondContact O-N 3.34Å; L65-K70 VanDerWaalsContact O-CE 3.23Å; L65-K70 WeakPolarHBondContact O-CE 3.23Å; L65-K70 PolarHBondContact O-NZ 3.43Å
66S89.4Confident87.8Confident38 Ų3865.9 Ų65.927%0.26634%0.343SS..SBendtrans-64.5148.8-176.878.70000112.6A62 H63 I64 S68 H69 K70A62-S66 PolarHBondContact O-N 3.49Å; H63-S66 WeakPolarHBondContact O-CB 3.34Å; H63-S66 PolarHBondContact O-N 3.16Å; H63-S66 PolarHBondContact O-OG 2.91Å; I64-S66 VanDerWaalsContact C-N 3.3Å; S66-S68 PolarHBondContact O-N 3.15Å; S66-H69 PolarHBondContact O-N 3.44Å; S66-H69 VanDerWaalsContact O-N 3.16Å; S66-H69 PolarHBondContact OG-N 3.31Å; S66-K70 PolarHBondContact O-N 2.92Å
67K89.9Confident86.7Confident186 Ų18670.5 Ų70.581%0.80937%0.369SS*.Hα-helixtrans-57.8-35.1177.1-64.5-177.4-179.2179.90112.3Q71K67-Q71 WeakPolarHBondContact O-CB 3.34Å; K67-Q71 PolarHBondContact O-N 3.2Å
68S90.4Very high85.2Confident63 Ų6373.8 Ų73.844%0.44139%0.385SS..Hα-helixtrans-66.7-41.6178.5177.80000112S66 N72S66-S68 PolarHBondContact O-N 3.15Å; S68-N72 WeakPolarHBondContact O-CB 3.31Å; S68-N72 VanDerWaalsContact O-CG 3.23Å; S68-N72 PolarHBondContact O-N 3.4Å; S68-N72 PolarHBondContact O-ND2 3.01Å
69H91.8Very high83.8Confident2 Ų277.4 Ų77.41%0.00941%0.406CS..Hα-helixtrans-65.6-52.1176.2-172.591.9000110.9C47 H63 I64 S66 Q71 N72 E73C47-H69 PolarHBondContact SG-CE1 2.88Å; C47-H69 PolarHBondContact SG-ND1 3.44Å; H63-H69 AromaticContact CD2-ND1 3.55Å; H63-H69 AromaticContact NE2-ND1 3.23Å; H63-H69 PolarHBondContact NE2-ND1 3.46Å; H63-H69 WeakPolarHBondContact O-CB 3.5Å; I64-H69 PolarHBondContact O-CD2 3.46Å; S66-H69 PolarHBondContact O-N 3.44Å; S66-H69 VanDerWaalsContact O-N 3.16Å; S66-H69 PolarHBondContact OG-N 3.31Å; H69-Q71 VanDerWaalsContact C-N 3.26Å; H69-Q71 PolarHBondContact O-N 3.06Å; H69-N72 PolarHBondContact O-N 2.94Å; H69-E73 IonicContact CD2-OE2 3.91Å; H69-E73 WeakPolarHBondContact O-CB 3.43Å; H69-E73 PolarHBondContact O-N 3.19Å
70K91.4Very high82.1Confident91 Ų9180.5 Ų80.540%0.39642%0.423SS..Hα-helixtrans-55.8-39.9177.4-68.6177.1176.1170.40112.3L65 S66 L74L65-K70 VanDerWaalsContact O-CE 3.23Å; L65-K70 WeakPolarHBondContact O-CE 3.23Å; L65-K70 PolarHBondContact O-NZ 3.43Å; S66-K70 PolarHBondContact O-N 2.92Å; K70-L74 VanDerWaalsContact O-CG 3.27Å; K70-L74 WeakPolarHBondContact O-CG 3.16Å; K70-L74 PolarHBondContact O-N 3.45Å; K70-L74 VanDerWaalsContact O-N 3.09Å
71Q89.8Confident80Confident94 Ų9485.6 Ų85.644%0.43946%0.455SS..Hα-helixtrans-68.1-39.8176.7-176.9174.428.400112.8K67 H69 R75K67-Q71 WeakPolarHBondContact O-CB 3.34Å; K67-Q71 PolarHBondContact O-N 3.2Å; H69-Q71 VanDerWaalsContact C-N 3.26Å; H69-Q71 PolarHBondContact O-N 3.06Å; Q71-R75 WeakPolarHBondContact O-CB 3.49Å; Q71-R75 VanDerWaalsContact O-CG 3.25Å; Q71-R75 WeakPolarHBondContact O-CG 3.32Å; Q71-R75 PolarHBondContact O-N 3.02Å; Q71-R75 VanDerWaalsContact O-N 3.14Å
72N89.8Confident78Confident38 Ų3892.2 Ų92.220%0.20348%0.48CS..Hα-helixtrans-73-33.5178.5-72-9.3000112.1L49 C50 S68 H69 R75 G76L49-N72 HydrophobicContact CB-CB 4.2Å; C50-N72 PolarHBondContact SG-ND2 2.9Å; S68-N72 WeakPolarHBondContact O-CB 3.31Å; S68-N72 VanDerWaalsContact O-CG 3.23Å; S68-N72 PolarHBondContact O-N 3.4Å; S68-N72 PolarHBondContact O-ND2 3.01Å; H69-N72 PolarHBondContact O-N 2.94Å; N72-R75 PolarHBondContact O-N 3.38Å; N72-G76 PolarHBondContact O-N 2.96Å
73E88.3Confident75.8Confident100 Ų100102.7 Ų102.747%0.46751%0.513SS..Hα-helixtrans-63.3-49.4173.7-169.9179.8-178.300111L49 H69 R75 G76L49-E73 HydrophobicContact CD1-CB 3.79Å; L49-E73 HydrophobicContact CD1-CG 4.14Å; H69-E73 IonicContact CD2-OE2 3.91Å; H69-E73 WeakPolarHBondContact O-CB 3.43Å; H69-E73 PolarHBondContact O-N 3.19Å; E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.42Å; E73-G76 PolarHBondContact O-N 3.46Å
74L86.7Confident73.6Confident158 Ų158107.3 Ų107.383%0.82755%0.545SS*.Hα-helixtrans-62.6-32.1176-71.5172.1000113.5K70 G76K70-L74 VanDerWaalsContact O-CG 3.27Å; K70-L74 WeakPolarHBondContact O-CG 3.16Å; K70-L74 PolarHBondContact O-N 3.45Å; K70-L74 VanDerWaalsContact O-N 3.09Å; L74-G76 VanDerWaalsContact C-N 3.25Å; L74-G76 PolarHBondContact O-N 3.38Å
75R79.4Confident71.3Confident162 Ų162109.4 Ų109.461%0.61157%0.568SS**Hα-helixtrans-75.3-13.2-179.9-78.8175.3175.8-176.4-3.2113.7Q71 N72 E73Q71-R75 WeakPolarHBondContact O-CB 3.49Å; Q71-R75 VanDerWaalsContact O-CG 3.25Å; Q71-R75 WeakPolarHBondContact O-CG 3.32Å; Q71-R75 PolarHBondContact O-N 3.02Å; Q71-R75 VanDerWaalsContact O-N 3.14Å; N72-R75 PolarHBondContact O-N 3.38Å; E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.42Å
76G69.7Low68.8Low41 Ų41112.7 Ų112.742%0.42359%0.591SS.*  trans64.4106.8-179.900000112.5N72 E73 L74 Q78N72-G76 PolarHBondContact O-N 2.96Å; E73-G76 PolarHBondContact O-N 3.46Å; L74-G76 VanDerWaalsContact C-N 3.25Å; L74-G76 PolarHBondContact O-N 3.38Å; G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 2.91Å
77V60.1Low66.7Low125 Ų125114.7 Ų114.776%0.75862%0.617SS**SBendtrans34.855161.2-161.20000115.2
78Q54.6Low64.3Low161 Ų161112.1 Ų112.175%0.75262%0.617SS**  trans-10994.2162.5-64.9-145.880.600108.3G76G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 2.91Å
79L54.7Low62.4Low123 Ų123120.1 Ų120.164%0.64464%0.638SS**  trans-47.3122.9163.6-136.481.3000107.6T81L79-T81 VanDerWaalsContact C-N 3.28Å; L79-T81 PolarHBondContact O-N 3.35Å; L79-T81 PolarHBondContact O-OG1 2.93Å
80P53.4Low60Low96 Ų96125.2 Ų125.262%0.62367%0.669SS**  trans-68.793177.825.6-30.4000108.8K82P80-K82 PolarHBondContact O-N 3.09Å
81T48.2Very low58.2Low111 Ų111128 Ų12868%0.68169%0.687SS**  trans-79.8114.6172.7-51.90000107L79L79-T81 VanDerWaalsContact C-N 3.28Å; L79-T81 PolarHBondContact O-N 3.35Å; L79-T81 PolarHBondContact O-OG1 2.93Å
82K47.1Very low56Low189 Ų189129.7 Ų129.782%0.82270%0.699SS**  trans76.6105.3169.2-63.6173.9179.2-177.40117.3P80 P84P80-K82 PolarHBondContact O-N 3.09Å; K82-P84 WeakPolarHBondContact O-CD 3.42Å
83R43.4Very low54Low247 Ų247136.3 Ų136.393%0.93273%0.729SS**  trans-47.8122.7149.6-129.4175-177.2179.3-0.3109.9
84P45.8Very low52Low122 Ų122137.7 Ų137.779%0.79274%0.744SS**  trans-82.4115.9156.911.24.4000108.1K82K82-P84 WeakPolarHBondContact O-CD 3.42Å
85A43.8Very low49.9Very low81 Ų81135.4 Ų135.467%0.66974%0.736SS**  trans-62.3133.9162.400000109.3
86T37.8Very low48.4Very low139 Ų139133.4 Ų133.485%0.85375%0.746SS**  trans39.9101.2145.250.40000117.2
87G44.2Very low47.4Very low79 Ų79140.3 Ų140.381%0.81477%0.765SS**  trans-143.990.1170.600000111.6
88T40.9Very low46.6Very low132 Ų132142.5 Ų142.581%0.8177%0.771SS**  trans-53.4138.1166.9-440000112
89R48.8Very low46.2Very low232 Ų232139.8 Ų139.888%0.87578%0.776SS**  trans153.3137.5147.8-84.6156.8-162.2-142.96.1108.4
90T41.7Very low45.3Very low108 Ų108141.1 Ų141.166%0.66378%0.777SS**  cis174.6154-7.725.60000103.5
91I53.7Low45.2Very low149 Ų149143.8 Ų143.876%0.76479%0.791SS**  trans63.7130.1156.852178.2000117.9
92D44.6Very low44.9Very low131 Ų131144.2 Ų144.270%0.70179%0.785SS**  cis-153.8132.726.1-82-44.3000109.8
93E47.7Very low44.6Very low176 Ų176141.8 Ų141.882%0.82278%0.781SS**  96.7116.1108-165.5175.517600114.5
94V45.9Very low44.4Very low129 Ų129139 Ų13978%0.78278%0.776SS**  trans152.585142.7175.10000109.9
95T42.3Very low44.4Very low110 Ų110140.2 Ų140.268%0.67578%0.781SS**  trans29.6118.8133.6-35.80000120.8
96C47.8Very low44.4Very low121 Ų121145.2 Ų145.282%0.81879%0.788SS**  -173.895.8127.1-98.70000113.7
97K48.3Very low44.5Very low186 Ų186142.9 Ų142.981%0.80978%0.777SS**  trans28.1120138.3-52175.5-177.1178.10119.3
98L43.4Very low44.5Very low171 Ų171145.9 Ų145.990%0.89577%0.774SS**  155.5140.886.7-160.264000113
99A46.1Very low44.6Very low104 Ų104147.5 Ų147.586%0.8677%0.773SS**  trans81.6114.716100000119.9
100K36.8Very low44.4Very low150 Ų150144.9 Ų144.965%0.65277%0.767SS**  trans-121.6134.6-172.8157.5157.5147.1153.80108.1E102K100-E102 HydrophobicContact CD-CG 4.06Å; K100-E102 VanDerWaalsContact CE-OE1 3.24Å; K100-E102 WeakPolarHBondContact CE-OE1 3.31Å; K100-E102 WeakPolarHBondContact CE-OE2 3.33Å; K100-E102 HydrophobicContact CG-CG 3.96Å; K100-E102 IonicContact NZ-OE1 2.72Å; K100-E102 PolarHBondContact NZ-OE1 3.13Å; K100-E102 IonicContact NZ-OE2 3.7Å; K100-E102 PolarHBondContact NZ-OE2 3.49Å; K100-E102 VanDerWaalsContact NZ-OE2 3.14Å
101V50.2Low44.2Very low152 Ų152146.9 Ų146.992%0.92177%0.774SS**  trans-131.3114156.9175.40000107.3
102E42.9Very low43.8Very low120 Ų120144.8 Ų144.856%0.56177%0.773SS**  trans-97.2146.9172.6-65.7178.1141.900109.7K100K100-E102 HydrophobicContact CD-CG 4.06Å; K100-E102 VanDerWaalsContact CE-OE1 3.24Å; K100-E102 WeakPolarHBondContact CE-OE1 3.31Å; K100-E102 WeakPolarHBondContact CE-OE2 3.33Å; K100-E102 HydrophobicContact CG-CG 3.96Å; K100-E102 IonicContact NZ-OE1 2.72Å; K100-E102 PolarHBondContact NZ-OE1 3.13Å; K100-E102 IonicContact NZ-OE2 3.7Å; K100-E102 PolarHBondContact NZ-OE2 3.49Å; K100-E102 VanDerWaalsContact NZ-OE2 3.14Å
103N40.6Very low43.7Very low139 Ų139146.2 Ų146.274%0.74378%0.781SS**  168.2110.8118-88.9-40.8000109.2
104K39Very low43.6Very low188 Ų188142.3 Ų142.382%0.81778%0.778SS**  72.8109.386.1-99.5-166174.6-171.70113.4
105V46.7Very low43.6Very low148 Ų148143.2 Ų143.290%0.89778%0.778SS**  trans-148.5110.8135.9-179.80000109
106K43.8Very low44.1Very low186 Ų186145.5 Ų145.581%0.80978%0.782SS**  trans-74.5156.2150.5-81.6172.7162.1-1800106.6
107S38.6Very low44.3Very low89 Ų89146.4 Ų146.462%0.62277%0.774SS**  cis174.5156.945.9-1.70000108.4
108D43.6Very low44.4Very low142 Ų142145.3 Ų145.376%0.75978%0.777SS**  trans68.2106.9137.6-50.6-17.9000119.3
109E44.7Very low44.6Very low167 Ų167143.1 Ų143.178%0.7877%0.766SS**  80.4103.988.9-91.6-153.4147.800115.4
110K43.3Very low44.5Very low176 Ų176145.9 Ų145.977%0.76577%0.765SS**  158.9122.6114.6-92169.6-177.7173.60114.3
111N38.5Very low45.1Very low150 Ų150143.9 Ų143.980%0.80277%0.768SS**  trans28.2125.6140.1-61.9-14.5000120.3
112S44.5Very low44.2Very low106 Ų106142.3 Ų142.374%0.74176%0.758SS**  170.3141.384.340.80000111.3
113D42.8Very low44.3Very low161 Ų161144.8 Ų144.886%0.86177%0.774SS**  trans26.4112151.7-61.9-37.4000119.5
114A45.5Very low44.1Very low93 Ų93143.8 Ų143.877%0.76977%0.774SS**  158.6128.3104.600000111.3
115N45.2Very low44.3Very low148 Ų148140 Ų14079%0.79177%0.771SS**  trans86.8135.7138-130.9-11.2000119.7
116Q53Low44.1Very low158 Ų158138.6 Ų138.674%0.73877%0.768SS**  trans95.579.5155.9-55.5-177.75800118.8
117H52.4Low43.9Very low141 Ų141133.2 Ų133.265%0.65377%0.765SS**  -6.7121125.4173.2-76.5000116D119H117-D119 IonicContact CD2-OD2 2.82Å; H117-D119 IonicContact NE2-OD2 3.87Å; H117-D119 PolarHBondContact NE2-OD2 3.4Å
118N51.1Low44.3Very low163 Ų163138.5 Ų138.587%0.87278%0.777SS**  trans-129.280.2160.1-85.7-34.6000108.7
119D47.9Very low44.1Very low125 Ų125139.5 Ų139.567%0.66878%0.781SS**PPolyproline II helixtrans-83.8135.5157.2-79.6-50.3000110.2H117H117-D119 IonicContact CD2-OD2 2.82Å; H117-D119 IonicContact NE2-OD2 3.87Å; H117-D119 PolarHBondContact NE2-OD2 3.4Å
120L44Very low43.8Very low162 Ų162137.4 Ų137.485%0.84878%0.783SS**PPolyproline II helixtrans-56.2127177.5-176.170.1000112.6
121P48.4Very low43.5Very low108 Ų108136.8 Ų136.870%0.70178%0.783SS**PPolyproline II helixtrans-89.9117.4176.82.216.3000112.2
122T32.2Very low43.7Very low118 Ų118139 Ų13972%0.72479%0.785SS**PPolyproline II helixtrans-66.1120.4154.8-67.50000109.3T124T122-T124 HydrophobicContact CG2-CG2 4.14Å
123L45.5Very low43.5Very low172 Ų172141.5 Ų141.590%0.90179%0.79SS**  trans-98.597.7170.9-78.1163.1000109.7
124T35.8Very low43.5Very low118 Ų118139.3 Ų139.372%0.72479%0.785SS**  trans-97142.7161.445.20000110.7T122T122-T124 HydrophobicContact CG2-CG2 4.14Å
125S43.2Very low43.2Very low109 Ų109138.7 Ų138.776%0.76278%0.78SS**  trans85.7106.4149.5-154.90000118.4
126S42.4Very low42.9Very low119 Ų119140.2 Ų140.283%0.83278%0.782SS**  164.2128.6104.2-740000111.1
127G39.9Very low42.6Very low73 Ų73143.8 Ų143.875%0.75379%0.789SS**  trans147.583.9153.700000118.3
128K47.3Very low42Very low199 Ų199146.7 Ų146.787%0.86580%0.8SS**  trans70.691143.3-65.6179.2177.6178.50119.6
129I39.1Very low41.9Very low164 Ų164145.6 Ų145.684%0.84179%0.792SS**  31.3113.8111.7-52.6162.9000116.2
130C37.7Very low41.6Very low123 Ų123148 Ų14883%0.83180%0.799SS**  -166.1109.1110.1-156.50000110
131E36.7Very low41.7Very low162 Ų162144 Ų14476%0.75779%0.785SS**  trans-68.6147.3165.4-62.5168.713800110.3
132K43.5Very low41.8Very low196 Ų196147 Ų14785%0.85279%0.79SS**  trans147.2106.8135.9-76.8158.7-170.3-1790111
133N40.4Very low42.5Very low159 Ų159146.8 Ų146.885%0.8579%0.793SS**  trans-63172.2144-75.6-46.8000108.9
134P42.1Very low43.2Very low115 Ų115148 Ų14875%0.74779%0.794SS**  cis-141.3-174.41132.4-8.5000114.6
135A40.1Very low44.8Very low81 Ų81146.3 Ų146.367%0.66978%0.78SS**  trans76.3118145.400000119.7
136E37.7Very low46.3Very low179 Ų179145.4 Ų145.484%0.83677%0.772SS**  trans59.499.3138.8-61.4176.5-175.300117.8
137R47.6Very low47.6Very low233 Ų233146.7 Ų146.788%0.87977%0.765SS**  trans-164.3109.7140.7-103.5161.2-127.5-1483.2110.6I139R137-I139 PolarHBondContact O-N 3.32Å
138K39.3Very low49.2Very low203 Ų203145.7 Ų145.788%0.88376%0.755SS**  trans-43.5119.5155.8-93.2175.6165-176.50109.3
139I48.5Very low50.8Low139 Ų139142 Ų14271%0.71374%0.739SS**  trans-131.778.8158.6-52.5177.9000106.4R137 S141R137-I139 PolarHBondContact O-N 3.32Å; I139-S141 WeakPolarHBondContact CG2-O 3.43Å
140E42.7Very low52.5Low175 Ų175137.4 Ų137.482%0.81871%0.713SS**  trans-59.6138148.6-148.288.9-148.500106.2
141S45.7Very low54.6Low79 Ų79139.6 Ų139.655%0.55272%0.716SS**  trans83.6126.1-176.383.80000113I139I139-S141 WeakPolarHBondContact CG2-O 3.43Å
142Q49.6Very low56.7Low172 Ų172135.9 Ų135.980%0.80470%0.701SS**  cis-169.2138.749.4-69.1175.2-2.500109.9
143S48.7Very low58.3Low113 Ų113132.4 Ų132.479%0.7968%0.683SS**  trans99113.8169.576.10000118L145S143-L145 PolarHBondContact O-N 3.42Å
144Q59.7Low60Low197 Ų197131.6 Ų131.692%0.92167%0.669SS**  trans-85.373.1-171.8-63.3163-15.900111.4
145L68.4Low61.6Low83 Ų83131.2 Ų131.244%0.43566%0.656SS.*PPolyproline II helixtrans-89123167-98.167.9000109.4S143 F149 F150S143-L145 PolarHBondContact O-N 3.42Å; L145-F149 HydrophobicContact CB-CB 4.29Å; L145-F149 HydrophobicContact CB-CG 4.44Å; L145-F149 HydrophobicContact CD2-CB 4.1Å; L145-F149 HydrophobicContact CD2-CD1 3.24Å; L145-F149 HydrophobicContact CD2-CD2 4.31Å; L145-F149 HydrophobicContact CD2-CE1 3.62Å; L145-F149 HydrophobicContact CD2-CG 3.62Å; L145-F149 HydrophobicContact CD2-CZ 4.3Å; L145-F149 HydrophobicContact CG-CB 4.21Å; L145-F149 HydrophobicContact CG-CD1 3.95Å; L145-F149 HydrophobicContact CG-CD2 4.12Å; L145-F149 HydrophobicContact CG-CE1 4.33Å; L145-F149 HydrophobicContact CG-CG 3.82Å; L145-F150 HydrophobicContact CD2-CE2 3.77Å; L145-F150 HydrophobicContact CD2-CZ 4.26Å
146P74.8Confident63.6Low90 Ų90128.3 Ų128.358%0.58463%0.629SS**PPolyproline II helixtrans-56.1147.7174-24.934.7000111.9G148 F149P146-G148 PolarHBondContact O-N 3.14Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 PolarHBondContact O-N 3.09Å; P146-F149 VanDerWaalsContact O-N 3.08Å
147E70.4Confident65.6Low146 Ų146120.4 Ų120.468%0.68259%0.594SS**THydrogen-bonded Turntrans-57.6127.3168.7-175.6162.8176.200109.1R160E147-R160 IonicContact OE1-NH1 2.69Å; E147-R160 IonicContact OE1-NH2 3.26Å; E147-R160 IonicContact OE2-CZ 3.89Å; E147-R160 IonicContact OE2-NH1 3.54Å; E147-R160 PolarHBondContact OE2-NH1 3.24Å; E147-R160 IonicContact OE2-NH2 2.64Å
148G74.3Confident67.1Low52 Ų52116.1 Ų116.154%0.53658%0.582SS.*THydrogen-bonded Turntrans84.421.2-173.300000114.9P146 F150 D156P146-G148 PolarHBondContact O-N 3.14Å; G148-F150 PolarHBondContact O-N 2.85Å; G148-D156 PolarHBondContact N-OD1 3.41Å; G148-D156 VanDerWaalsContact N-OD1 3.15Å; G148-D156 PolarHBondContact N-OD2 3.2Å
149F79Confident68.9Low121 Ų121110.5 Ų110.553%0.53156%0.564SS.*SBendtrans-66.2-28169.1-178.4-93.3000112.2L145 P146 D156L145-F149 HydrophobicContact CB-CB 4.29Å; L145-F149 HydrophobicContact CB-CG 4.44Å; L145-F149 HydrophobicContact CD2-CB 4.1Å; L145-F149 HydrophobicContact CD2-CD1 3.24Å; L145-F149 HydrophobicContact CD2-CD2 4.31Å; L145-F149 HydrophobicContact CD2-CE1 3.62Å; L145-F149 HydrophobicContact CD2-CG 3.62Å; L145-F149 HydrophobicContact CD2-CZ 4.3Å; L145-F149 HydrophobicContact CG-CB 4.21Å; L145-F149 HydrophobicContact CG-CD1 3.95Å; L145-F149 HydrophobicContact CG-CD2 4.12Å; L145-F149 HydrophobicContact CG-CE1 4.33Å; L145-F149 HydrophobicContact CG-CG 3.82Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 PolarHBondContact O-N 3.09Å; P146-F149 VanDerWaalsContact O-N 3.08Å; F149-D156 PolarHBondContact N-OD1 3.13Å
150F76.4Confident70.2Confident67 Ų67109.9 Ų109.929%0.29455%0.553SS.*SBendtrans-101.6126.3172.3-63.5-89.5000109.6L145 G148 D152 K155 D156 V159L145-F150 HydrophobicContact CD2-CE2 3.77Å; L145-F150 HydrophobicContact CD2-CZ 4.26Å; G148-F150 PolarHBondContact O-N 2.85Å; F150-D152 PolarHBondContact O-N 2.76Å; F150-K155 HydrophobicContact CB-CB 3.97Å; F150-K155 HydrophobicContact CD1-CB 4.33Å; F150-K155 HydrophobicContact CG-CB 4.18Å; F150-D156 HydrophobicContact CB-CB 4.27Å; F150-V159 HydrophobicContact CD2-CG2 4.32Å; F150-V159 HydrophobicContact CE2-CB 4.01Å; F150-V159 HydrophobicContact CE2-CG1 3.98Å; F150-V159 HydrophobicContact CE2-CG2 3.71Å; F150-V159 HydrophobicContact CZ-CG2 3.91Å
151D81.1Confident71.3Confident170 Ų170107.1 Ų107.191%0.90955%0.552SS**SBendtrans-54.4-26.7177-67.5-29.8000112.7
152D80.8Confident72.5Confident83 Ų83106.1 Ų106.144%0.44454%0.542SS..SBendtrans-91.5112.9173.1-67.3-35.4000111.3F150 Y154 K155 D156F150-D152 PolarHBondContact O-N 2.76Å; D152-Y154 PolarHBondContact O-N 3.33Å; D152-K155 HydrophobicContact CB-CB 4.13Å; D152-K155 HydrophobicContact CB-CD 4Å; D152-K155 HydrophobicContact CB-CG 3.96Å; D152-K155 PolarHBondContact O-N 2.94Å; D152-K155 VanDerWaalsContact OD2-CE 3.26Å; D152-K155 WeakPolarHBondContact OD2-CE 3.44Å; D152-K155 IonicContact OD2-NZ 2.61Å; D152-K155 PolarHBondContact OD2-NZ 2.87Å; D152-D156 PolarHBondContact O-N 3.12Å
153R76.7Confident73.5Confident124 Ų124102.9 Ų102.947%0.46854%0.536SS..Hα-helixtrans-51-31.6174.4-169.5-170.1-79.4170.10.4113.3A157 Y164R153-A157 WeakPolarHBondContact O-CB 3.21Å; R153-A157 PolarHBondContact O-N 2.93Å; R153-A157 VanDerWaalsContact O-N 3.11Å; R153-Y164 HydrophobicContact CB-CE2 3.86Å; R153-Y164 HydrophobicContact CG-CD2 4.25Å; R153-Y164 HydrophobicContact CG-CE2 3.64Å
154Y75.5Confident74.6Confident141 Ų141101.6 Ų101.655%0.55351%0.514SS*.Hα-helixtrans-66.9-43.6175.6179.2-100.4000112.8D152 K158 Y164D152-Y154 PolarHBondContact O-N 3.33Å; Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 3.18Å; Y154-Y164 AromaticContact CD2-CD1 3.7Å; Y154-Y164 HydrophobicContact CD2-CD1 3.7Å; Y154-Y164 HydrophobicContact CD2-CD2 4.34Å; Y154-Y164 HydrophobicContact CD2-CE1 4.24Å; Y154-Y164 AromaticContact CD2-CG 3.74Å; Y154-Y164 HydrophobicContact CD2-CG 3.74Å; Y154-Y164 HydrophobicContact CE2-CD1 4.45Å
155K76.1Confident75.1Confident108 Ų10899 Ų9947%0.4750%0.5SS..Hα-helixtrans-70.1-39.4179.2-68.5178.9-176.9148.80110.8F150 D152 A157 K158 V159F150-K155 HydrophobicContact CB-CB 3.97Å; F150-K155 HydrophobicContact CD1-CB 4.33Å; F150-K155 HydrophobicContact CG-CB 4.18Å; D152-K155 HydrophobicContact CB-CB 4.13Å; D152-K155 HydrophobicContact CB-CD 4Å; D152-K155 HydrophobicContact CB-CG 3.96Å; D152-K155 PolarHBondContact O-N 2.94Å; D152-K155 VanDerWaalsContact OD2-CE 3.26Å; D152-K155 WeakPolarHBondContact OD2-CE 3.44Å; D152-K155 IonicContact OD2-NZ 2.61Å; D152-K155 PolarHBondContact OD2-NZ 2.87Å; K155-A157 PolarHBondContact O-N 3.14Å; K155-K158 PolarHBondContact O-N 3.1Å; K155-V159 WeakPolarHBondContact O-CG2 3.33Å; K155-V159 PolarHBondContact O-N 2.86Å
156D82.2Confident75.7Confident20 Ų2098.2 Ų98.211%0.10750%0.496CS..Hα-helixtrans-58.4-48.6175-16368.3000111.3G148 F149 F150 D152 K158 V159 R160G148-D156 PolarHBondContact N-OD1 3.41Å; G148-D156 VanDerWaalsContact N-OD1 3.15Å; G148-D156 PolarHBondContact N-OD2 3.2Å; F149-D156 PolarHBondContact N-OD1 3.13Å; F150-D156 HydrophobicContact CB-CB 4.27Å; D152-D156 PolarHBondContact O-N 3.12Å; D156-K158 PolarHBondContact O-N 2.98Å; D156-V159 PolarHBondContact O-N 2.84Å; D156-R160 WeakPolarHBondContact O-CB 3.35Å; D156-R160 PolarHBondContact O-N 2.9Å
157A79.7Confident76Confident12 Ų1299.4 Ų99.410%0.09949%0.492CS..Hα-helixtrans-62.8-40.7175.200000112.7R153 K155 R160 C161 V162 Y164R153-A157 WeakPolarHBondContact O-CB 3.21Å; R153-A157 PolarHBondContact O-N 2.93Å; R153-A157 VanDerWaalsContact O-N 3.11Å; K155-A157 PolarHBondContact O-N 3.14Å; A157-R160 CarbonylContact O-C 3.53Å; A157-R160 PolarHBondContact O-N 3.39Å; A157-C161 PolarHBondContact O-N 3.03Å; A157-V162 CarbonylContact C-O 3.58Å; A157-V162 PolarHBondContact O-N 3.25Å; A157-V162 VanDerWaalsContact O-O 3.05Å; A157-Y164 HydrophobicContact CB-CD2 3.95Å; A157-Y164 HydrophobicContact CB-CG 4.37Å
158K79.2Confident76.5Confident144 Ų14498.2 Ų98.263%0.62649%0.488SS*.Hα-helixtrans-65.4-42.5179.1-171.364.6175.2-177.60112.3Y154 K155 D156 C161Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 3.18Å; K155-K158 PolarHBondContact O-N 3.1Å; D156-K158 PolarHBondContact O-N 2.98Å; K158-C161 PolarHBondContact O-N 3.09Å
159V78.4Confident77Confident84 Ų8498.1 Ų98.151%0.50948%0.482SS..Hα-helixtrans-69.2-39.7178172.50000110.7F150 K155 D156 C161F150-V159 HydrophobicContact CD2-CG2 4.32Å; F150-V159 HydrophobicContact CE2-CB 4.01Å; F150-V159 HydrophobicContact CE2-CG1 3.98Å; F150-V159 HydrophobicContact CE2-CG2 3.71Å; F150-V159 HydrophobicContact CZ-CG2 3.91Å; K155-V159 WeakPolarHBondContact O-CG2 3.33Å; K155-V159 PolarHBondContact O-N 2.86Å; D156-V159 PolarHBondContact O-N 2.84Å; V159-C161 PolarHBondContact O-N 2.86Å
160R74.8Confident77.4Confident127 Ų12797.3 Ų97.348%0.47948%0.48SS..THydrogen-bonded Turntrans-73.1-2.7174-154168.873.1169.6-4.3113.4E147 D156 A157 V162E147-R160 IonicContact OE1-NH1 2.69Å; E147-R160 IonicContact OE1-NH2 3.26Å; E147-R160 IonicContact OE2-CZ 3.89Å; E147-R160 IonicContact OE2-NH1 3.54Å; E147-R160 PolarHBondContact OE2-NH1 3.24Å; E147-R160 IonicContact OE2-NH2 2.64Å; D156-R160 WeakPolarHBondContact O-CB 3.35Å; D156-R160 PolarHBondContact O-N 2.9Å; A157-R160 CarbonylContact O-C 3.53Å; A157-R160 PolarHBondContact O-N 3.39Å; R160-V162 HydrophobicContact CB-CG2 4.1Å; R160-V162 HydrophobicContact CG-CG2 3.91Å; R160-V162 PolarHBondContact O-N 3.44Å; R160-V162 VanDerWaalsContact O-N 3.12Å
161C64.9Low78.1Confident117 Ų117100.1 Ų100.179%0.79149%0.494SS*.THydrogen-bonded Turntrans5230.2-174-61.90000113.2A157 K158 V159A157-C161 PolarHBondContact O-N 3.03Å; K158-C161 PolarHBondContact O-N 3.09Å; V159-C161 PolarHBondContact O-N 2.86Å
162V71.3Confident78.6Confident58 Ų5896 Ų9635%0.35247%0.472SS..  trans-96.7135.6174.7177.10000107.8A157 R160 Y164A157-V162 CarbonylContact C-O 3.58Å; A157-V162 PolarHBondContact O-N 3.25Å; A157-V162 VanDerWaalsContact O-O 3.05Å; R160-V162 HydrophobicContact CB-CG2 4.1Å; R160-V162 HydrophobicContact CG-CG2 3.91Å; R160-V162 PolarHBondContact O-N 3.44Å; R160-V162 VanDerWaalsContact O-N 3.12Å; V162-Y164 PolarHBondContact O-N 3.39Å
163P72Confident79.1Confident104 Ų10498.6 Ų98.668%0.67548%0.481SS*.  trans-57.7117.5175.823.4-33.6000109.8K165P163-K165 PolarHBondContact O-N 3.31Å; P163-K165 VanDerWaalsContact O-N 3.12Å
164Y71.2Confident79.8Confident86 Ų8698.1 Ų98.134%0.33749%0.487SS..  trans-65.9111.9172.8178.3-101.8000108.7R153 Y154 A157 V162 D166R153-Y164 HydrophobicContact CB-CE2 3.86Å; R153-Y164 HydrophobicContact CG-CD2 4.25Å; R153-Y164 HydrophobicContact CG-CE2 3.64Å; Y154-Y164 AromaticContact CD2-CD1 3.7Å; Y154-Y164 HydrophobicContact CD2-CD1 3.7Å; Y154-Y164 HydrophobicContact CD2-CD2 4.34Å; Y154-Y164 HydrophobicContact CD2-CE1 4.24Å; Y154-Y164 AromaticContact CD2-CG 3.74Å; Y154-Y164 HydrophobicContact CD2-CG 3.74Å; Y154-Y164 HydrophobicContact CE2-CD1 4.45Å; A157-Y164 HydrophobicContact CB-CD2 3.95Å; A157-Y164 HydrophobicContact CB-CG 4.37Å; V162-Y164 PolarHBondContact O-N 3.39Å; Y164-D166 HydrophobicContact CE1-CB 3.7Å
165K70.9Confident80.7Confident143 Ų14396.7 Ų96.762%0.62248%0.484SS*.  trans-100.5116.2164.2-67.7178.2179.9-177.70107P163 K167P163-K165 PolarHBondContact O-N 3.31Å; P163-K165 VanDerWaalsContact O-N 3.12Å; K165-K167 PolarHBondContact O-N 3.23Å
166D80.5Confident81.6Confident66 Ų6696.5 Ų96.535%0.35349%0.485SS..  trans-65.7121.9170.2-173.11.6000108.2Y164 M168 A169 E170Y164-D166 HydrophobicContact CE1-CB 3.7Å; D166-M168 PolarHBondContact O-N 3.33Å; D166-M168 PolarHBondContact OD1-N 2.64Å; D166-M168 VanDerWaalsContact OD1-N 3.16Å; D166-A169 HydrophobicContact CB-CB 3.89Å; D166-A169 PolarHBondContact O-N 3.23Å; D166-E170 PolarHBondContact O-N 3.05Å
167K81.4Confident82.3Confident114 Ų114102 Ų10250%0.49651%0.508SS..Hα-helixtrans-58.2-35.1178.6-73.2-173.7-169.1-176.30110.7K165 E170 E171K165-K167 PolarHBondContact O-N 3.23Å; K167-E170 PolarHBondContact O-N 3.24Å; K167-E171 WeakPolarHBondContact O-CB 3.35Å; K167-E171 WeakPolarHBondContact O-CG 3.19Å; K167-E171 PolarHBondContact O-N 3.16Å
168M79.8Confident83Confident121 Ų121106.5 Ų106.560%0.59653%0.527SS*.Hα-helixtrans-65-41.4177-174.964.3-165.400111.6D166 L172D166-M168 PolarHBondContact O-N 3.33Å; D166-M168 PolarHBondContact OD1-N 2.64Å; D166-M168 VanDerWaalsContact OD1-N 3.16Å; M168-L172 VanDerWaalsContact O-CB 3.24Å; M168-L172 WeakPolarHBondContact O-CB 3.1Å; M168-L172 PolarHBondContact O-N 2.82Å
169A86.1Confident83.7Confident51 Ų51103.5 Ų103.542%0.42152%0.516SS..Hα-helixtrans-68.5-38177.900000112D166 L172 E173D166-A169 HydrophobicContact CB-CB 3.89Å; D166-A169 PolarHBondContact O-N 3.23Å; A169-L172 PolarHBondContact O-N 3.47Å; A169-E173 WeakPolarHBondContact O-CB 3.42Å; A169-E173 PolarHBondContact O-N 3.04Å
170E86.8Confident84.5Confident104 Ų104104.7 Ų104.749%0.48652%0.518SS..Hα-helixtrans-66.8-43.5176.6-175.6168.9-16100112D166 K167 L172 E173 L174D166-E170 PolarHBondContact O-N 3.05Å; K167-E170 PolarHBondContact O-N 3.24Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-E173 PolarHBondContact O-N 3.28Å; E170-L174 WeakPolarHBondContact O-CB 3.15Å; E170-L174 PolarHBondContact O-N 3.05Å
171E90.3Very high85.5Confident125 Ų125102.3 Ų102.358%0.58452%0.518SS*.Hα-helixtrans-64.7-38.1174.2-72.9174.4-164.300111.8K167 L174 F175K167-E171 WeakPolarHBondContact O-CB 3.35Å; K167-E171 WeakPolarHBondContact O-CG 3.19Å; K167-E171 PolarHBondContact O-N 3.16Å; E171-L174 PolarHBondContact O-N 3.45Å; E171-F175 WeakPolarHBondContact O-CB 3.3Å; E171-F175 PolarHBondContact O-N 3Å
172L91.5Very high86.9Confident83 Ų83101 Ų10144%0.43550%0.503SS..Hα-helixtrans-67.5-41.4175.6-17369.8000112M168 A169 E170 L174 F175 Q176M168-L172 VanDerWaalsContact O-CB 3.24Å; M168-L172 WeakPolarHBondContact O-CB 3.1Å; M168-L172 PolarHBondContact O-N 2.82Å; A169-L172 PolarHBondContact O-N 3.47Å; E170-L172 VanDerWaalsContact C-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-F175 PolarHBondContact O-N 3.49Å; L172-Q176 WeakPolarHBondContact O-CB 3.47Å; L172-Q176 VanDerWaalsContact O-CG 3.3Å; L172-Q176 WeakPolarHBondContact O-CG 3.23Å; L172-Q176 PolarHBondContact O-N 3.32Å
173E92.3Very high88.1Confident138 Ų138105 Ų10565%0.64552%0.518SS*.Hα-helixtrans-64.8-40.2175-173.2178.9-175.900110.9A169 E170 Q176 K177A169-E173 WeakPolarHBondContact O-CB 3.42Å; A169-E173 PolarHBondContact O-N 3.04Å; E170-E173 PolarHBondContact O-N 3.28Å; E173-Q176 PolarHBondContact O-N 2.9Å; E173-K177 VanDerWaalsContact O-CB 3.27Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å
174L90.4Very high89.2Confident115 Ų115106.7 Ų106.760%0.60252%0.515SS*.Hα-helixtrans-62.1-43.8175.5-169.564.9000111.3E170 E171 L172 K177 E178E170-L174 WeakPolarHBondContact O-CB 3.15Å; E170-L174 PolarHBondContact O-N 3.05Å; E171-L174 PolarHBondContact O-N 3.45Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L174-K177 PolarHBondContact O-N 2.74Å; L174-E178 WeakPolarHBondContact O-CB 3.18Å; L174-E178 PolarHBondContact O-N 3.42Å
175F94.9Very high90.3Very high110 Ų110107.5 Ų107.548%0.48252%0.521SS..Hα-helixtrans-63.8-46.9175.5177.6-104000112.4E171 L172 K177 E178 M179E171-F175 WeakPolarHBondContact O-CB 3.3Å; E171-F175 PolarHBondContact O-N 3Å; L172-F175 PolarHBondContact O-N 3.49Å; F175-K177 VanDerWaalsContact C-N 3.28Å; F175-K177 PolarHBondContact O-N 3.11Å; F175-E178 WeakPolarHBondContact O-CB 3.28Å; F175-E178 PolarHBondContact O-N 3.02Å; F175-M179 HydrophobicContact CD1-CG 4.28Å; F175-M179 HydrophobicContact CD2-CE 4.36Å; F175-M179 HydrophobicContact CE1-CG 3.84Å; F175-M179 HydrophobicContact CE2-CE 3.75Å; F175-M179 HydrophobicContact CE2-CG 4.18Å; F175-M179 HydrophobicContact CE2-SD 4.18Å; F175-M179 HydrophobicContact CZ-CE 4.11Å; F175-M179 HydrophobicContact CZ-CG 3.78Å; F175-M179 HydrophobicContact CZ-SD 3.89Å; F175-M179 WeakPolarHBondContact O-CG 3.37Å; F175-M179 PolarHBondContact O-N 3.3Å
176Q95.8Very high91.5Very high105 Ų105103.7 Ų103.749%0.49151%0.512SS..Hα-helixtrans-59.7-41.5176.4-73.8176.43100111.7L172 E173 M179 I180L172-Q176 WeakPolarHBondContact O-CB 3.47Å; L172-Q176 VanDerWaalsContact O-CG 3.3Å; L172-Q176 WeakPolarHBondContact O-CG 3.23Å; L172-Q176 PolarHBondContact O-N 3.32Å; E173-Q176 PolarHBondContact O-N 2.9Å; Q176-M179 PolarHBondContact O-N 2.83Å; Q176-I180 WeakPolarHBondContact O-CG1 3.28Å; Q176-I180 PolarHBondContact O-N 2.99Å
177K95.1Very high92.2Very high135 Ų135106 Ų10659%0.58752%0.521SS*.Hα-helixtrans-64-42.5176.2-175.4178.8179.2-1790111.4E173 L174 F175 I180 T181E173-K177 VanDerWaalsContact O-CB 3.27Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 PolarHBondContact O-N 3.07Å; L174-K177 PolarHBondContact O-N 2.74Å; F175-K177 VanDerWaalsContact C-N 3.28Å; F175-K177 PolarHBondContact O-N 3.11Å; K177-I180 PolarHBondContact O-N 3.14Å; K177-T181 WeakPolarHBondContact O-CG2 3.22Å; K177-T181 PolarHBondContact O-N 3.44Å; K177-T181 PolarHBondContact O-OG1 2.86Å
178E94.4Very high92.8Very high107 Ų107104.3 Ų104.350%0.552%0.515SS..Hα-helixtrans-60.4-45.5175-173.6172.3-166.900111.3L174 F175 I180 T181 L182L174-E178 WeakPolarHBondContact O-CB 3.18Å; L174-E178 PolarHBondContact O-N 3.42Å; F175-E178 WeakPolarHBondContact O-CB 3.28Å; F175-E178 PolarHBondContact O-N 3.02Å; E178-I180 PolarHBondContact O-N 3.3Å; E178-T181 VanDerWaalsContact CA-OG1 3.31Å; E178-T181 WeakPolarHBondContact CA-OG1 3.36Å; E178-T181 PolarHBondContact O-N 3.42Å; E178-T181 VanDerWaalsContact O-N 3.15Å; E178-T181 PolarHBondContact O-OG1 3.31Å; E178-L182 HydrophobicContact CG-CD1 4.09Å; E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 WeakPolarHBondContact O-CG 3.38Å; E178-L182 PolarHBondContact O-N 3.41Å
179M95.2Very high93.5Very high80 Ų80101.9 Ų101.939%0.39450%0.504SS..Hα-helixtrans-58.2-47.1175.7-69.5-59.5100.300112.2F175 Q176 T181 L182 E183F175-M179 HydrophobicContact CD1-CG 4.28Å; F175-M179 HydrophobicContact CD2-CE 4.36Å; F175-M179 HydrophobicContact CE1-CG 3.84Å; F175-M179 HydrophobicContact CE2-CE 3.75Å; F175-M179 HydrophobicContact CE2-CG 4.18Å; F175-M179 HydrophobicContact CE2-SD 4.18Å; F175-M179 HydrophobicContact CZ-CE 4.11Å; F175-M179 HydrophobicContact CZ-CG 3.78Å; F175-M179 HydrophobicContact CZ-SD 3.89Å; F175-M179 WeakPolarHBondContact O-CG 3.37Å; F175-M179 PolarHBondContact O-N 3.3Å; Q176-M179 PolarHBondContact O-N 2.83Å; M179-T181 VanDerWaalsContact C-N 3.32Å; M179-T181 PolarHBondContact O-N 3.06Å; M179-L182 HydrophobicContact CE-CD1 3.65Å; M179-L182 PolarHBondContact O-N 3.37Å; M179-E183 WeakPolarHBondContact O-CB 3Å; M179-E183 PolarHBondContact O-N 2.89Å
180I95.3Very high93.7Very high109 Ų109104.8 Ų104.856%0.55951%0.51SS*.Hα-helixtrans-62.5-39.8176.6-67.9164.9000111.1Q176 K177 E178 K184Q176-I180 WeakPolarHBondContact O-CG1 3.28Å; Q176-I180 PolarHBondContact O-N 2.99Å; K177-I180 PolarHBondContact O-N 3.14Å; E178-I180 PolarHBondContact O-N 3.3Å; I180-K184 WeakPolarHBondContact O-CB 3.47Å; I180-K184 PolarHBondContact O-N 3.31Å
181T95.6Very high93.9Very high77 Ų77104.9 Ų104.947%0.47251%0.51SS..Hα-helixtrans-67.7-36.4177.854.60000112.6K177 E178 M179 H185K177-T181 WeakPolarHBondContact O-CG2 3.22Å; K177-T181 PolarHBondContact O-N 3.44Å; K177-T181 PolarHBondContact O-OG1 2.86Å; E178-T181 VanDerWaalsContact CA-OG1 3.31Å; E178-T181 WeakPolarHBondContact CA-OG1 3.36Å; E178-T181 PolarHBondContact O-N 3.42Å; E178-T181 VanDerWaalsContact O-N 3.15Å; E178-T181 PolarHBondContact O-OG1 3.31Å; M179-T181 VanDerWaalsContact C-N 3.32Å; M179-T181 PolarHBondContact O-N 3.06Å; T181-H185 WeakPolarHBondContact O-CB 3.31Å; T181-H185 PolarHBondContact O-N 3Å
182L94.7Very high93.9Very high89 Ų89104.4 Ų104.447%0.46651%0.506SS..Hα-helixtrans-69.9-42.6175.2-75.7169.8000111.6E178 M179 K184 H185 S186E178-L182 HydrophobicContact CG-CD1 4.09Å; E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 WeakPolarHBondContact O-CG 3.38Å; E178-L182 PolarHBondContact O-N 3.41Å; M179-L182 HydrophobicContact CE-CD1 3.65Å; M179-L182 PolarHBondContact O-N 3.37Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 3.48Å; L182-H185 PolarHBondContact O-N 2.99Å; L182-S186 WeakPolarHBondContact O-CB 3.49Å; L182-S186 PolarHBondContact O-N 2.72Å
183E95.7Very high94Very high144 Ų144106.5 Ų106.567%0.67351%0.514SS*.Hα-helixtrans-59.3-44.7174-176.3172.5-15700110.7M179 H185 S186 E187M179-E183 WeakPolarHBondContact O-CB 3Å; M179-E183 PolarHBondContact O-N 2.89Å; E183-H185 PolarHBondContact O-N 3.3Å; E183-S186 WeakPolarHBondContact O-CB 3.08Å; E183-S186 PolarHBondContact O-N 2.94Å; E183-E187 PolarHBondContact O-N 3.05Å
184K95Very high93.9Very high139 Ų139103.1 Ų103.160%0.60451%0.506SS*.Hα-helixtrans-62.2-40.7174.4-176.6-178.1175.6-172.70112.7I180 L182 S186 E187 E188I180-K184 WeakPolarHBondContact O-CB 3.47Å; I180-K184 PolarHBondContact O-N 3.31Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 3.48Å; K184-S186 VanDerWaalsContact C-N 3.33Å; K184-E187 PolarHBondContact O-N 2.96Å; K184-E188 WeakPolarHBondContact O-CB 3.48Å; K184-E188 PolarHBondContact O-N 3.23Å
185H95.3Very high93.8Very high103 Ų103102.2 Ų102.248%0.47750%0.498SS..Hα-helixtrans-65.9-39.3177.1-172.357.5000111.4T181 L182 E183 E188 I189T181-H185 WeakPolarHBondContact O-CB 3.31Å; T181-H185 PolarHBondContact O-N 3Å; L182-H185 PolarHBondContact O-N 2.99Å; E183-H185 PolarHBondContact O-N 3.3Å; H185-E188 PolarHBondContact O-N 2.76Å; H185-I189 WeakPolarHBondContact O-CG1 3.47Å; H185-I189 PolarHBondContact O-N 3.21Å
186S96Very high93.7Very high62 Ų6299.8 Ų99.843%0.43450%0.498SS..Hα-helixtrans-62.7-43172.9-179.10000111.8L182 E183 K184 I189 M190L182-S186 WeakPolarHBondContact O-CB 3.49Å; L182-S186 PolarHBondContact O-N 2.72Å; E183-S186 WeakPolarHBondContact O-CB 3.08Å; E183-S186 PolarHBondContact O-N 2.94Å; K184-S186 VanDerWaalsContact C-N 3.33Å; S186-I189 PolarHBondContact O-N 2.65Å; S186-M190 WeakPolarHBondContact O-CG 3.44Å; S186-M190 PolarHBondContact O-N 2.65Å
187E94.4Very high93.4Very high115 Ų11597.4 Ų97.454%0.53749%0.494SS..Hα-helixtrans-60.6-43.9174.1-173.7174.2-153.200111.7E183 K184 I189 M190 E191E183-E187 PolarHBondContact O-N 3.05Å; K184-E187 PolarHBondContact O-N 2.96Å; E187-I189 PolarHBondContact O-N 3.35Å; E187-M190 PolarHBondContact O-N 3.19Å; E187-E191 WeakPolarHBondContact O-CB 3.38Å; E187-E191 PolarHBondContact O-N 3.29Å
188E94.9Very high93.2Very high79 Ų7991.5 Ų91.537%0.36947%0.469SS..Hα-helixtrans-64-39178.3-171.3-177.6156.900112.6K184 H185 K192K184-E188 WeakPolarHBondContact O-CB 3.48Å; K184-E188 PolarHBondContact O-N 3.23Å; H185-E188 PolarHBondContact O-N 2.76Å; E188-K192 HydrophobicContact CG-CD 4.32Å; E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 VanDerWaalsContact O-CG 3.32Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 3.49Å; E188-K192 WeakPolarHBondContact OE1-CE 3.42Å; E188-K192 IonicContact OE1-NZ 3.92Å; E188-K192 PolarHBondContact OE1-NZ 3.49Å
189I94Very high93Very high70 Ų7088.5 Ų88.536%0.35946%0.459SS..Hα-helixtrans-64.1-49.2175.1-68.8165.4000110.2H185 S186 E187 E191 K192 E193H185-I189 WeakPolarHBondContact O-CG1 3.47Å; H185-I189 PolarHBondContact O-N 3.21Å; S186-I189 PolarHBondContact O-N 2.65Å; E187-I189 PolarHBondContact O-N 3.35Å; I189-E191 VanDerWaalsContact C-N 3.3Å; I189-E191 PolarHBondContact O-N 2.88Å; I189-K192 PolarHBondContact O-N 2.91Å; I189-E193 HydrophobicContact CG2-CG 4.4Å; I189-E193 WeakPolarHBondContact O-CG 3.3Å; I189-E193 PolarHBondContact O-N 3.43Å
190M90.8Very high92.9Very high112 Ų11291.3 Ų91.355%0.55247%0.472SS*.Hα-helixtrans-61.7-38.3178.7-71.6-172.7-68.800112.2S186 E187 S194S186-M190 WeakPolarHBondContact O-CG 3.44Å; S186-M190 PolarHBondContact O-N 2.65Å; E187-M190 PolarHBondContact O-N 3.19Å; M190-S194 WeakPolarHBondContact O-CB 3.31Å; M190-S194 PolarHBondContact O-N 3.31Å
191E89.7Confident92.6Very high106 Ų10693 Ų9350%0.49547%0.471SS..Hα-helixtrans-63.1-45.9175.5-175.1170.2-152.400110.9E187 I189 S194 E195E187-E191 WeakPolarHBondContact O-CB 3.38Å; E187-E191 PolarHBondContact O-N 3.29Å; I189-E191 VanDerWaalsContact C-N 3.3Å; I189-E191 PolarHBondContact O-N 2.88Å; E191-S194 PolarHBondContact O-N 3.41Å; E191-E195 WeakPolarHBondContact O-CB 3.29Å; E191-E195 PolarHBondContact O-N 2.89Å
192K91.3Very high92.4Very high115 Ų11591.3 Ų91.350%0.546%0.459SS..Hα-helixtrans-63.5-40.7176.6-76.4170172.2168.30113.1E188 I189 E195 A196E188-K192 HydrophobicContact CG-CD 4.32Å; E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 VanDerWaalsContact O-CG 3.32Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 3.49Å; E188-K192 WeakPolarHBondContact OE1-CE 3.42Å; E188-K192 IonicContact OE1-NZ 3.92Å; E188-K192 PolarHBondContact OE1-NZ 3.49Å; I189-K192 PolarHBondContact O-N 2.91Å; K192-E195 WeakPolarHBondContact O-CB 3.41Å; K192-E195 PolarHBondContact O-N 3.35Å; K192-A196 WeakPolarHBondContact O-CB 3.43Å; K192-A196 PolarHBondContact O-N 3.37Å
193E93.7Very high92.3Very high127 Ų12792.7 Ų92.759%0.59347%0.466SS*.Hα-helixtrans-65.5-42.5175.7-73.9-179.8176.600111.6I189 E195 A196 S197I189-E193 HydrophobicContact CG2-CG 4.4Å; I189-E193 WeakPolarHBondContact O-CG 3.3Å; I189-E193 PolarHBondContact O-N 3.43Å; E193-E195 VanDerWaalsContact C-N 3.27Å; E193-E195 PolarHBondContact O-N 3.11Å; E193-A196 PolarHBondContact O-N 3.33Å; E193-S197 WeakPolarHBondContact O-CB 3.35Å; E193-S197 PolarHBondContact O-N 2.85Å
194S88.5Confident92.3Very high67 Ų6788.8 Ų88.847%0.46946%0.458SS..Hα-helixtrans-62.1-38.1172.3-176.60000111.3M190 E191 V198M190-S194 WeakPolarHBondContact O-CB 3.31Å; M190-S194 PolarHBondContact O-N 3.31Å; E191-S194 PolarHBondContact O-N 3.41Å; S194-V198 WeakPolarHBondContact O-CG2 3.38Å; S194-V198 PolarHBondContact O-N 3.5Å
195E90Very high92.1Very high95 Ų9585.6 Ų85.644%0.44445%0.446SS..Hα-helixtrans-64.3-48.1177.5-170.1176175.400111.4F58 E191 K192 E193 S197 V198 S199F58-E195 HydrophobicContact CD1-CB 4.15Å; F58-E195 HydrophobicContact CD1-CG 3.84Å; F58-E195 HydrophobicContact CD2-CG 4.06Å; F58-E195 HydrophobicContact CE1-CB 4.04Å; F58-E195 HydrophobicContact CE1-CG 3.74Å; F58-E195 WeakPolarHBondContact CE1-O 3.42Å; F58-E195 HydrophobicContact CE2-CG 4.01Å; F58-E195 HydrophobicContact CG-CG 3.98Å; F58-E195 HydrophobicContact CZ-CG 3.84Å; F58-E195 WeakPolarHBondContact CZ-O 3.4Å; E191-E195 WeakPolarHBondContact O-CB 3.29Å; E191-E195 PolarHBondContact O-N 2.89Å; K192-E195 WeakPolarHBondContact O-CB 3.41Å; K192-E195 PolarHBondContact O-N 3.35Å; E193-E195 VanDerWaalsContact C-N 3.27Å; E193-E195 PolarHBondContact O-N 3.11Å; E195-S197 PolarHBondContact O-N 3.21Å; E195-V198 PolarHBondContact O-N 3.15Å; E195-S199 WeakPolarHBondContact O-CB 3.48Å; E195-S199 PolarHBondContact O-N 3.06Å; E195-S199 PolarHBondContact O-OG 2.85Å
196A92.4Very high92.1Very high59 Ų5984.7 Ų84.749%0.48844%0.444SS..Hα-helixtrans-59.8-44.417700000111.8K192 E193 V198 S199 E200K192-A196 WeakPolarHBondContact O-CB 3.43Å; K192-A196 PolarHBondContact O-N 3.37Å; E193-A196 PolarHBondContact O-N 3.33Å; A196-V198 PolarHBondContact O-N 3.4Å; A196-S199 WeakPolarHBondContact O-CB 3.41Å; A196-S199 PolarHBondContact O-N 3.13Å; A196-S199 VanDerWaalsContact O-N 3.14Å; A196-E200 WeakPolarHBondContact O-CB 3.45Å; A196-E200 PolarHBondContact O-N 3.36Å
197S89.9Confident92.1Very high56 Ų5686.5 Ų86.539%0.39245%0.449SS..Hα-helixtrans-62.4-38.8-177.7-179.20000113.8E193 E195 R201E193-S197 WeakPolarHBondContact O-CB 3.35Å; E193-S197 PolarHBondContact O-N 2.85Å; E195-S197 PolarHBondContact O-N 3.21Å; S197-R201 PolarHBondContact O-N 3.19Å
198V89.7Confident92.2Very high11 Ų1185.9 Ų85.97%0.06745%0.446CS..Hα-helixtrans-76.2-36175.1175.10000110.2F58 A62 S194 E195 A196 E200 R201 N202F58-V198 HydrophobicContact CD1-CB 4.29Å; F58-V198 HydrophobicContact CD1-CG2 4.33Å; F58-V198 HydrophobicContact CE1-CB 3.24Å; F58-V198 HydrophobicContact CE1-CG1 3.7Å; F58-V198 HydrophobicContact CE1-CG2 3.62Å; F58-V198 HydrophobicContact CZ-CB 3.48Å; F58-V198 VanDerWaalsContact CZ-CB 3.48Å; F58-V198 HydrophobicContact CZ-CG1 3.67Å; F58-V198 HydrophobicContact CZ-CG2 4.36Å; A62-V198 HydrophobicContact CB-CB 4.35Å; A62-V198 HydrophobicContact CB-CG1 3.68Å; A62-V198 HydrophobicContact CB-CG2 3.69Å; S194-V198 WeakPolarHBondContact O-CG2 3.38Å; S194-V198 PolarHBondContact O-N 3.5Å; E195-V198 PolarHBondContact O-N 3.15Å; A196-V198 PolarHBondContact O-N 3.4Å; V198-E200 VanDerWaalsContact C-N 3.3Å; V198-E200 PolarHBondContact O-N 3.29Å; V198-R201 WeakPolarHBondContact O-CB 3.46Å; V198-R201 PolarHBondContact O-N 2.86Å; V198-N202 VanDerWaalsContact O-CG 3.23Å; V198-N202 PolarHBondContact O-N 3.49Å; V198-N202 PolarHBondContact O-OD1 2.99Å
199S90.7Very high92.3Very high43 Ų4386.5 Ų86.530%0.30145%0.448SS..Hα-helixtrans-60.3-43.9177.4-63.60000110.6F58 E195 A196 R201 N202 L203F58-S199 VanDerWaalsContact CZ-OG 3.28Å; F58-S199 WeakPolarHBondContact CZ-OG 3.27Å; E195-S199 WeakPolarHBondContact O-CB 3.48Å; E195-S199 PolarHBondContact O-N 3.06Å; E195-S199 PolarHBondContact O-OG 2.85Å; A196-S199 WeakPolarHBondContact O-CB 3.41Å; A196-S199 PolarHBondContact O-N 3.13Å; A196-S199 VanDerWaalsContact O-N 3.14Å; S199-R201 PolarHBondContact O-N 3.47Å; S199-N202 PolarHBondContact O-N 3.25Å; S199-L203 VanDerWaalsContact O-CG 3.31Å; S199-L203 WeakPolarHBondContact O-CG 3.32Å; S199-L203 PolarHBondContact O-N 2.84Å
200E93Very high92.4Very high140 Ų14086.8 Ų86.865%0.65445%0.45SS*.Hα-helixtrans-59.4-44174.3-174.1177.2-166.900112.2A196 V198 N202 L203 A204A196-E200 WeakPolarHBondContact O-CB 3.45Å; A196-E200 PolarHBondContact O-N 3.36Å; V198-E200 VanDerWaalsContact C-N 3.3Å; V198-E200 PolarHBondContact O-N 3.29Å; E200-N202 PolarHBondContact O-N 3.48Å; E200-L203 PolarHBondContact O-N 2.99Å; E200-A204 PolarHBondContact O-N 2.74Å
201R89.4Confident92.7Very high143 Ų14386.6 Ų86.654%0.5445%0.449SS..Hα-helixtrans-60.4-43.6173.9-175.7-175.7-65.194.15.5112S197 V198 S199 A204 E205S197-R201 PolarHBondContact O-N 3.19Å; V198-R201 WeakPolarHBondContact O-CB 3.46Å; V198-R201 PolarHBondContact O-N 2.86Å; S199-R201 PolarHBondContact O-N 3.47Å; R201-A204 PolarHBondContact O-N 3.07Å; R201-E205 PolarHBondContact O-N 3.38Å; R201-E205 VanDerWaalsContact O-N 3.07Å
202N91.1Very high93.1Very high42 Ų4287 Ų8723%0.22545%0.449CS..Hα-helixtrans-65.8-41.6179.2-67.5-4.9000111.1V198 S199 E200 A204 E205 I206V198-N202 VanDerWaalsContact O-CG 3.23Å; V198-N202 PolarHBondContact O-N 3.49Å; V198-N202 PolarHBondContact O-OD1 2.99Å; S199-N202 PolarHBondContact O-N 3.25Å; E200-N202 PolarHBondContact O-N 3.48Å; N202-A204 VanDerWaalsContact C-N 3.34Å; N202-A204 PolarHBondContact O-N 3.43Å; N202-E205 PolarHBondContact O-N 2.94Å; N202-I206 VanDerWaalsContact O-CG1 3.31Å; N202-I206 WeakPolarHBondContact O-CG1 3.44Å; N202-I206 PolarHBondContact O-N 3.36Å
203L93.6Very high93.4Very high118 Ų11889.7 Ų89.762%0.61846%0.456SS*.Hα-helixtrans-61.9-41.9176-72.6173.1000111.5S199 E200 E205 I206 N207S199-L203 VanDerWaalsContact O-CG 3.31Å; S199-L203 WeakPolarHBondContact O-CG 3.32Å; S199-L203 PolarHBondContact O-N 2.84Å; E200-L203 PolarHBondContact O-N 2.99Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 3.04Å; L203-I206 PolarHBondContact O-N 3.39Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.28Å
204A94.1Very high93.6Very high62 Ų6288.3 Ų88.351%0.51245%0.45SS..Hα-helixtrans-62-41.7175.300000112E200 R201 N202 N207 E208E200-A204 PolarHBondContact O-N 2.74Å; R201-A204 PolarHBondContact O-N 3.07Å; N202-A204 VanDerWaalsContact C-N 3.34Å; N202-A204 PolarHBondContact O-N 3.43Å; A204-N207 PolarHBondContact O-N 3.43Å; A204-E208 PolarHBondContact O-N 2.75Å
205E92.3Very high94Very high72 Ų7289.7 Ų89.734%0.33645%0.447SS..Hα-helixtrans-65.1-43.7176.2-176.9170.5-174.400111.9R201 N202 L203 N207 E208 Q209R201-E205 PolarHBondContact O-N 3.38Å; R201-E205 VanDerWaalsContact O-N 3.07Å; N202-E205 PolarHBondContact O-N 2.94Å; L203-E205 VanDerWaalsContact C-N 3.34Å; L203-E205 PolarHBondContact O-N 3.04Å; E205-N207 VanDerWaalsContact C-N 3.35Å; E205-N207 PolarHBondContact O-N 2.88Å; E205-E208 PolarHBondContact O-N 3.14Å; E205-Q209 WeakPolarHBondContact O-CG 3.47Å; E205-Q209 PolarHBondContact O-N 3.46Å
206I94.9Very high94.4Very high85 Ų8589.4 Ų89.444%0.43645%0.448SS..Hα-helixtrans-61.4-44.7175.3-69165.9000110.4N202 L203 E208 Q209 I210N202-I206 VanDerWaalsContact O-CG1 3.31Å; N202-I206 WeakPolarHBondContact O-CG1 3.44Å; N202-I206 PolarHBondContact O-N 3.36Å; L203-I206 PolarHBondContact O-N 3.39Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.43Å; I206-Q209 WeakPolarHBondContact O-CB 3.24Å; I206-Q209 PolarHBondContact O-N 3.46Å; I206-Q209 VanDerWaalsContact O-N 3.14Å; I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 HydrophobicContact CG2-CG1 4.38Å; I206-I210 WeakPolarHBondContact O-CG1 3.46Å; I206-I210 PolarHBondContact O-N 3.17Å
207N95.6Very high94.6Very high100 Ų10093 Ų9354%0.53545%0.453SS..Hα-helixtrans-62.5-40.8178.1-171.972.5000111.9L203 A204 E205 Q209 I210 M211L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.28Å; A204-N207 PolarHBondContact O-N 3.43Å; E205-N207 VanDerWaalsContact C-N 3.35Å; E205-N207 PolarHBondContact O-N 2.88Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.39Å; N207-I210 PolarHBondContact O-N 3.15Å; N207-M211 WeakPolarHBondContact O-CG 3.44Å; N207-M211 PolarHBondContact O-N 2.78Å
208E96.2Very high95Very high102 Ų10295.1 Ų95.148%0.47746%0.456SS..Hα-helixtrans-61-42.1172.9-171.4-171.2162.100111.8A204 E205 I206 M211 K212A204-E208 PolarHBondContact O-N 2.75Å; E205-E208 PolarHBondContact O-N 3.14Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.43Å; E208-M211 PolarHBondContact O-N 2.79Å; E208-K212 WeakPolarHBondContact O-CG 3.34Å; E208-K212 PolarHBondContact O-N 3.13Å; E208-K212 VanDerWaalsContact O-N 3.09Å; E208-K212 WeakPolarHBondContact OE1-CE 3.45Å; E208-K212 IonicContact OE1-NZ 3.41Å; E208-K212 PolarHBondContact OE1-NZ 3.06Å
209Q97.1Very high95.4Very high91 Ų9198.8 Ų98.843%0.42548%0.475SS..Hα-helixtrans-61.7-45.9175-70.7175.911.800111.2E205 I206 N207 M211 K212 W213E205-Q209 WeakPolarHBondContact O-CG 3.47Å; E205-Q209 PolarHBondContact O-N 3.46Å; I206-Q209 WeakPolarHBondContact O-CB 3.24Å; I206-Q209 PolarHBondContact O-N 3.46Å; I206-Q209 VanDerWaalsContact O-N 3.14Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.39Å; Q209-M211 VanDerWaalsContact C-N 3.34Å; Q209-M211 PolarHBondContact O-N 2.86Å; Q209-K212 WeakPolarHBondContact O-CB 3.41Å; Q209-K212 PolarHBondContact O-N 2.73Å; Q209-K212 VanDerWaalsContact O-N 3.13Å; Q209-W213 PolarHBondContact O-N 2.95Å
210I96.8Very high95.6Very high77 Ų77101.9 Ų101.940%0.39549%0.485SS..Hα-helixtrans-55.8-48.9176.9-69.4166.9000110.5I206 N207 K212 W213 E214I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 HydrophobicContact CG2-CG1 4.38Å; I206-I210 WeakPolarHBondContact O-CG1 3.46Å; I206-I210 PolarHBondContact O-N 3.17Å; N207-I210 PolarHBondContact O-N 3.15Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 3.34Å; I210-W213 WeakPolarHBondContact O-CB 3.33Å; I210-W213 PolarHBondContact O-N 3.45Å; I210-W213 VanDerWaalsContact O-N 3.12Å; I210-E214 HydrophobicContact CG2-CG 4.43Å; I210-E214 WeakPolarHBondContact O-CG 3.47Å; I210-E214 PolarHBondContact O-N 3.49Å
211M97.3Very high95.8Very high108 Ų10899.3 Ų99.353%0.53248%0.476SS..Hα-helixtrans-59.1-39178.1-68.3-62.3-57.700112.7N207 E208 Q209 K215N207-M211 WeakPolarHBondContact O-CG 3.44Å; N207-M211 PolarHBondContact O-N 2.78Å; E208-M211 PolarHBondContact O-N 2.79Å; Q209-M211 VanDerWaalsContact C-N 3.34Å; Q209-M211 PolarHBondContact O-N 2.86Å; M211-K215 PolarHBondContact O-N 3.2Å; M211-K215 VanDerWaalsContact O-N 3.1Å
212K97.7Very high96.2Very high113 Ų11397 Ų9749%0.49147%0.471SS..Hα-helixtrans-67.6-43.1175.4-71.2172-175.6167.40111.6E208 Q209 I210 K215 I216E208-K212 WeakPolarHBondContact O-CG 3.34Å; E208-K212 PolarHBondContact O-N 3.13Å; E208-K212 VanDerWaalsContact O-N 3.09Å; E208-K212 WeakPolarHBondContact OE1-CE 3.45Å; E208-K212 IonicContact OE1-NZ 3.41Å; E208-K212 PolarHBondContact OE1-NZ 3.06Å; Q209-K212 WeakPolarHBondContact O-CB 3.41Å; Q209-K212 PolarHBondContact O-N 2.73Å; Q209-K212 VanDerWaalsContact O-N 3.13Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 3.34Å; K212-K215 WeakPolarHBondContact O-CB 3.49Å; K212-K215 PolarHBondContact O-N 3.01Å; K212-I216 WeakPolarHBondContact O-CG1 3.48Å; K212-I216 PolarHBondContact O-N 2.97Å
213W97.9Very high96.5Very high173 Ų173100.5 Ų100.566%0.65548%0.484SS*.Hα-helixtrans-61.7-43.9176.5-81.1112.1000111.9Q209 I210 K215 I216 K217Q209-W213 PolarHBondContact O-N 2.95Å; I210-W213 WeakPolarHBondContact O-CB 3.33Å; I210-W213 PolarHBondContact O-N 3.45Å; I210-W213 VanDerWaalsContact O-N 3.12Å; W213-K215 VanDerWaalsContact C-N 3.27Å; W213-K215 PolarHBondContact O-N 3.33Å; W213-I216 PolarHBondContact O-N 2.86Å; W213-K217 WeakPolarHBondContact O-CB 3.49Å; W213-K217 PolarHBondContact O-N 2.94Å
214E97.5Very high96.7Very high97 Ų9798.6 Ų98.645%0.45347%0.474SS..Hα-helixtrans-58.1-42.1173.2-73.4179.4173.800111.4I210 K217 Q218I210-E214 HydrophobicContact CG2-CG 4.43Å; I210-E214 WeakPolarHBondContact O-CG 3.47Å; I210-E214 PolarHBondContact O-N 3.49Å; E214-K217 PolarHBondContact O-N 3.26Å; E214-Q218 WeakPolarHBondContact O-CG 3.37Å; E214-Q218 PolarHBondContact O-N 3.4Å
215K98.1Very high96.8Very high96 Ų96100.4 Ų100.442%0.41748%0.475SS..Hα-helixtrans-65.4-40.4176.7-176.755.5-176162.40112.7M211 K212 W213 Q218 L219M211-K215 PolarHBondContact O-N 3.2Å; M211-K215 VanDerWaalsContact O-N 3.1Å; K212-K215 WeakPolarHBondContact O-CB 3.49Å; K212-K215 PolarHBondContact O-N 3.01Å; W213-K215 VanDerWaalsContact C-N 3.27Å; W213-K215 PolarHBondContact O-N 3.33Å; K215-Q218 PolarHBondContact O-N 2.81Å; K215-L219 HydrophobicContact CG-CD1 4.47Å; K215-L219 WeakPolarHBondContact O-CG 3.33Å; K215-L219 PolarHBondContact O-N 3.34Å; K215-L219 VanDerWaalsContact O-N 3.13Å
216I97.8Very high97Very high89 Ų89104.3 Ų104.346%0.45649%0.488SS..Hα-helixtrans-61.7-47.5175.4-69.8166.4000110K212 W213 Q218 L219 E220K212-I216 WeakPolarHBondContact O-CG1 3.48Å; K212-I216 PolarHBondContact O-N 2.97Å; W213-I216 PolarHBondContact O-N 2.86Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 3.41Å; I216-L219 PolarHBondContact O-N 3.24Å; I216-L219 VanDerWaalsContact O-N 3.09Å; I216-E220 PolarHBondContact O-N 3.44Å
217K96.8Very high97Very high136 Ų136104 Ų10459%0.59148%0.484SS*.Hα-helixtrans-58.8-40.4178-172.3177.8-178.9-178.70112.3W213 E214 E220 N221W213-K217 WeakPolarHBondContact O-CB 3.49Å; W213-K217 PolarHBondContact O-N 2.94Å; E214-K217 PolarHBondContact O-N 3.26Å; K217-E220 PolarHBondContact O-N 3.29Å; K217-N221 VanDerWaalsContact O-CG 3.3Å; K217-N221 PolarHBondContact O-N 2.93Å; K217-N221 PolarHBondContact O-OD1 2.88Å
218Q97.4Very high97Very high99 Ų99105.3 Ų105.346%0.46349%0.489SS..Hα-helixtrans-61.5-44.9174.2-73.21709.300112.3E214 K215 I216 E220 N221 E222E214-Q218 WeakPolarHBondContact O-CG 3.37Å; E214-Q218 PolarHBondContact O-N 3.4Å; K215-Q218 PolarHBondContact O-N 2.81Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 3.41Å; Q218-E220 VanDerWaalsContact C-N 3.32Å; Q218-E220 PolarHBondContact O-N 3.11Å; Q218-N221 PolarHBondContact O-N 3.34Å; Q218-E222 WeakPolarHBondContact O-CG 3.09Å; Q218-E222 PolarHBondContact O-N 3.48Å
219L97.5Very high96.9Very high88 Ų88107.3 Ų107.346%0.46149%0.492SS..Hα-helixtrans-66.4-35.7179.4-69.8171.2000112.1K215 I216 E222 K223K215-L219 HydrophobicContact CG-CD1 4.47Å; K215-L219 WeakPolarHBondContact O-CG 3.33Å; K215-L219 PolarHBondContact O-N 3.34Å; K215-L219 VanDerWaalsContact O-N 3.13Å; I216-L219 PolarHBondContact O-N 3.24Å; I216-L219 VanDerWaalsContact O-N 3.09Å; L219-E222 PolarHBondContact O-N 3.38Å; L219-K223 WeakPolarHBondContact O-CB 3.42Å; L219-K223 PolarHBondContact O-N 3.35Å
220E96.7Very high96.8Very high108 Ų108108.9 Ų108.951%0.50550%0.503SS..Hα-helixtrans-63.7-48.9173.9-172.2166.2-15400111.1I216 K217 Q218 E222 K223 D224I216-E220 PolarHBondContact O-N 3.44Å; K217-E220 PolarHBondContact O-N 3.29Å; Q218-E220 VanDerWaalsContact C-N 3.32Å; Q218-E220 PolarHBondContact O-N 3.11Å; E220-E222 VanDerWaalsContact C-N 3.32Å; E220-E222 PolarHBondContact O-N 3Å; E220-K223 WeakPolarHBondContact O-CB 3.27Å; E220-K223 PolarHBondContact O-N 2.69Å; E220-K223 VanDerWaalsContact O-N 3.16Å; E220-D224 PolarHBondContact O-N 3.33Å
221N96.9Very high96.7Very high87 Ų87111.6 Ų111.647%0.46551%0.512SS..Hα-helixtrans-57.7-43174.4-70.5-4.1000112.4K217 Q218 D224 L225K217-N221 VanDerWaalsContact O-CG 3.3Å; K217-N221 PolarHBondContact O-N 2.93Å; K217-N221 PolarHBondContact O-OD1 2.88Å; Q218-N221 PolarHBondContact O-N 3.34Å; N221-D224 PolarHBondContact O-N 2.89Å; N221-L225 VanDerWaalsContact O-CG 3.31Å; N221-L225 WeakPolarHBondContact O-CG 3.49Å; N221-L225 PolarHBondContact O-N 3.37Å
222E97Very high96.6Very high93 Ų93112.9 Ų112.944%0.43551%0.514SS..Hα-helixtrans-62.5-46176-76.2176.8-172.300111.6Q218 L219 E220 D224 L225 Y226Q218-E222 WeakPolarHBondContact O-CG 3.09Å; Q218-E222 PolarHBondContact O-N 3.48Å; L219-E222 PolarHBondContact O-N 3.38Å; E220-E222 VanDerWaalsContact C-N 3.32Å; E220-E222 PolarHBondContact O-N 3Å; E222-D224 VanDerWaalsContact C-N 3.34Å; E222-D224 PolarHBondContact O-N 2.98Å; E222-L225 PolarHBondContact O-N 2.87Å; E222-Y226 WeakPolarHBondContact O-CD2 3.31Å; E222-Y226 PolarHBondContact O-N 2.61Å
223K97.6Very high96.4Very high116 Ų116113.7 Ų113.750%0.50452%0.518SS..Hα-helixtrans-57.4-47.3176.8179.8-160.9167.1-138.70110.8L219 E220 L225 Y226 E227L219-K223 WeakPolarHBondContact O-CB 3.42Å; L219-K223 PolarHBondContact O-N 3.35Å; E220-K223 WeakPolarHBondContact O-CB 3.27Å; E220-K223 PolarHBondContact O-N 2.69Å; E220-K223 VanDerWaalsContact O-N 3.16Å; K223-L225 VanDerWaalsContact C-N 3.34Å; K223-L225 PolarHBondContact O-N 3.05Å; K223-Y226 PolarHBondContact O-N 3.14Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; K223-E227 WeakPolarHBondContact CE-OE1 3.3Å; K223-E227 IonicContact NZ-OE1 3.14Å; K223-E227 PolarHBondContact NZ-OE1 3.02Å; K223-E227 PolarHBondContact O-N 3.12Å
224D97.1Very high96.1Very high78 Ų78110.8 Ų110.842%0.41751%0.514SS..Hα-helixtrans-64.1-39.3-179.2-69.3-10.1000111.8E220 N221 E222 Y226 E227 M228E220-D224 PolarHBondContact O-N 3.33Å; N221-D224 PolarHBondContact O-N 2.89Å; E222-D224 VanDerWaalsContact C-N 3.34Å; E222-D224 PolarHBondContact O-N 2.98Å; D224-Y226 PolarHBondContact O-N 3.46Å; D224-E227 PolarHBondContact O-N 3.12Å; D224-M228 WeakPolarHBondContact O-CB 3.5Å; D224-M228 PolarHBondContact O-N 3.02Å
225L96.9Very high95.8Very high100 Ų100109.5 Ų109.552%0.52451%0.513SS..Hα-helixtrans-62.3-41.2172.8-74.4169.2000112.4N221 E222 K223 M228 R229N221-L225 VanDerWaalsContact O-CG 3.31Å; N221-L225 WeakPolarHBondContact O-CG 3.49Å; N221-L225 PolarHBondContact O-N 3.37Å; E222-L225 PolarHBondContact O-N 2.87Å; K223-L225 VanDerWaalsContact C-N 3.34Å; K223-L225 PolarHBondContact O-N 3.05Å; L225-M228 HydrophobicContact CD2-CE 4.2Å; L225-R229 WeakPolarHBondContact O-CB 3.4Å; L225-R229 PolarHBondContact O-N 2.84Å
226Y95.8Very high95.5Very high154 Ų154108.2 Ų108.260%0.60451%0.511SS*.Hα-helixtrans-65.9-43.2175.5-83.7-70000111.9E222 K223 D224 R229 L230E222-Y226 WeakPolarHBondContact O-CD2 3.31Å; E222-Y226 PolarHBondContact O-N 2.61Å; K223-Y226 PolarHBondContact O-N 3.14Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; D224-Y226 PolarHBondContact O-N 3.46Å; Y226-R229 PolarHBondContact O-N 3.05Å; Y226-L230 WeakPolarHBondContact O-CB 3.46Å; Y226-L230 PolarHBondContact O-N 2.97Å
227E96.2Very high95.2Very high79 Ų79106.6 Ų106.637%0.36951%0.508SS..Hα-helixtrans-61.4-43.9175.4-75-169.3-171.400111.6K223 D224 R229 L230 K231K223-E227 WeakPolarHBondContact CE-OE1 3.3Å; K223-E227 IonicContact NZ-OE1 3.14Å; K223-E227 PolarHBondContact NZ-OE1 3.02Å; K223-E227 PolarHBondContact O-N 3.12Å; D224-E227 PolarHBondContact O-N 3.12Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 3.12Å; E227-L230 PolarHBondContact O-N 2.84Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.45Å
228M94.3Very high94.8Very high127 Ų127103.6 Ų103.663%0.62650%0.497SS*.Hα-helixtrans-61.7-42.2176.4-171.8172.170.100111.6D224 L225 L230 K231 K232D224-M228 WeakPolarHBondContact O-CB 3.5Å; D224-M228 PolarHBondContact O-N 3.02Å; L225-M228 HydrophobicContact CD2-CE 4.2Å; M228-L230 VanDerWaalsContact C-N 3.34Å; M228-L230 PolarHBondContact O-N 3.16Å; M228-K231 PolarHBondContact O-N 2.93Å; M228-K232 WeakPolarHBondContact O-CB 3.37Å; M228-K232 PolarHBondContact O-N 3.26Å
229R95.2Very high94.3Very high144 Ų144103.4 Ų103.454%0.54350%0.5SS..Hα-helixtrans-64.5-38.1175.8-172.5-179.5-68.7163-1.1112L225 Y226 E227 K233L225-R229 WeakPolarHBondContact O-CB 3.4Å; L225-R229 PolarHBondContact O-N 2.84Å; Y226-R229 PolarHBondContact O-N 3.05Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 3.12Å; R229-K233 WeakPolarHBondContact O-CG 3.48Å; R229-K233 PolarHBondContact O-N 2.86Å; R229-K233 VanDerWaalsContact O-N 3.07Å
230L94.5Very high93.5Very high124 Ų124105.7 Ų105.765%0.64951%0.508SS*.Hα-helixtrans-68.7-44.2177.7-169.964.5000111.3Y226 E227 M228 K232 K233 L234Y226-L230 WeakPolarHBondContact O-CB 3.46Å; Y226-L230 PolarHBondContact O-N 2.97Å; E227-L230 PolarHBondContact O-N 2.84Å; M228-L230 VanDerWaalsContact C-N 3.34Å; M228-L230 PolarHBondContact O-N 3.16Å; L230-K232 PolarHBondContact O-N 2.87Å; L230-K233 PolarHBondContact O-N 2.9Å; L230-L234 PolarHBondContact O-N 3.37Å
231K95Very high92.7Very high134 Ų134107.4 Ų107.458%0.58351%0.514SS*.Hα-helixtrans-58.2-45.6173.6-74.3175.7-178.7170.50111.5E227 M228 K233 L234 T235E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.45Å; M228-K231 PolarHBondContact O-N 2.93Å; K231-K233 PolarHBondContact O-N 3.17Å; K231-L234 WeakPolarHBondContact O-CB 3.24Å; K231-L234 PolarHBondContact O-N 3.46Å; K231-T235 WeakPolarHBondContact O-CG2 3.36Å; K231-T235 PolarHBondContact O-N 3.35Å; K231-T235 PolarHBondContact O-OG1 2.9Å
232K94Very high91.8Very high136 Ų136109 Ų10959%0.59152%0.517SS*.Hα-helixtrans-60.2-45.6176.6-175.6175.2-179.6174.30112.6M228 L230 L234 T235 D236M228-K232 WeakPolarHBondContact O-CB 3.37Å; M228-K232 PolarHBondContact O-N 3.26Å; L230-K232 PolarHBondContact O-N 2.87Å; K232-L234 VanDerWaalsContact C-N 3.31Å; K232-L234 PolarHBondContact O-N 3.21Å; K232-T235 WeakPolarHBondContact CA-OG1 3.45Å; K232-T235 PolarHBondContact O-N 2.94Å; K232-T235 PolarHBondContact O-OG1 2.86Å; K232-D236 WeakPolarHBondContact O-CB 3.21Å; K232-D236 PolarHBondContact O-N 3.26Å
233K93.6Very high90.7Very high129 Ų129112.7 Ų112.756%0.56153%0.531SS*.Hα-helixtrans-60.4-42175.9-74.7178.1178.8-175.20111.7R229 L230 K231 D236 S237R229-K233 WeakPolarHBondContact O-CG 3.48Å; R229-K233 PolarHBondContact O-N 2.86Å; R229-K233 VanDerWaalsContact O-N 3.07Å; L230-K233 PolarHBondContact O-N 2.9Å; K231-K233 PolarHBondContact O-N 3.17Å; K233-D236 PolarHBondContact O-N 2.71Å; K233-S237 PolarHBondContact O-N 3.15Å; K233-S237 PolarHBondContact O-OG 3.18Å
234L93.2Very high88.9Confident112 Ų112110.3 Ų110.359%0.58653%0.529SS*.Hα-helixtrans-62.9-45.3177.3-176.863.7000111.6L230 K231 K232 S237 I238L230-L234 PolarHBondContact O-N 3.37Å; K231-L234 WeakPolarHBondContact O-CB 3.24Å; K231-L234 PolarHBondContact O-N 3.46Å; K232-L234 VanDerWaalsContact C-N 3.31Å; K232-L234 PolarHBondContact O-N 3.21Å; L234-S237 PolarHBondContact O-N 3.42Å; L234-I238 HydrophobicContact CD1-CD1 4.43Å; L234-I238 HydrophobicContact CG-CD1 4.12Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.37Å; L234-I238 PolarHBondContact O-N 3.44Å
235T90.8Very high87.1Confident70 Ų70113.1 Ų113.143%0.42954%0.54SS..Hα-helixtrans-64.8-40.3177.152.70000112.4K231 K232 I238 N239K231-T235 WeakPolarHBondContact O-CG2 3.36Å; K231-T235 PolarHBondContact O-N 3.35Å; K231-T235 PolarHBondContact O-OG1 2.9Å; K232-T235 WeakPolarHBondContact CA-OG1 3.45Å; K232-T235 PolarHBondContact O-N 2.94Å; K232-T235 PolarHBondContact O-OG1 2.86Å; T235-I238 PolarHBondContact O-N 3.39Å; T235-N239 WeakPolarHBondContact O-CB 3.44Å; T235-N239 VanDerWaalsContact O-CG 3.26Å; T235-N239 PolarHBondContact O-N 3.43Å; T235-N239 PolarHBondContact O-ND2 3.37Å
236D91.8Very high85.1Confident70 Ų70114.7 Ų114.737%0.37455%0.549SS..Hα-helixtrans-63.9-41.3177.2-69.7-17000111K232 K233 N239 Q240K232-D236 WeakPolarHBondContact O-CB 3.21Å; K232-D236 PolarHBondContact O-N 3.26Å; K233-D236 PolarHBondContact O-N 2.71Å; D236-N239 PolarHBondContact O-N 2.88Å; D236-Q240 WeakPolarHBondContact O-CG 3.4Å; D236-Q240 PolarHBondContact O-N 3.4Å
237S90.2Very high83.2Confident54 Ų54115.4 Ų115.438%0.37856%0.557SS.*Hα-helixtrans-62.7-46.1173.7-66.70000112.2K233 L234 N239 Q240 F241K233-S237 PolarHBondContact O-N 3.15Å; K233-S237 PolarHBondContact O-OG 3.18Å; L234-S237 PolarHBondContact O-N 3.42Å; S237-N239 VanDerWaalsContact C-N 3.3Å; S237-N239 PolarHBondContact O-N 2.9Å; S237-Q240 PolarHBondContact O-N 3.41Å; S237-F241 WeakPolarHBondContact O-CD2 3.33Å; S237-F241 PolarHBondContact O-N 2.92Å
238I89.6Confident81Confident74 Ų74115.7 Ų115.738%0.37957%0.565SS.*Hα-helixtrans-59.4-42.7177-69165.2000110.9L234 T235 Q240 F241 K242L234-I238 HydrophobicContact CD1-CD1 4.43Å; L234-I238 HydrophobicContact CG-CD1 4.12Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.37Å; L234-I238 PolarHBondContact O-N 3.44Å; T235-I238 PolarHBondContact O-N 3.39Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3Å; I238-F241 PolarHBondContact O-N 3.36Å; I238-K242 HydrophobicContact CG2-CD 4.28Å; I238-K242 WeakPolarHBondContact O-CG 3.26Å; I238-K242 PolarHBondContact O-N 2.89Å
239N85.7Confident79Confident95 Ų95117 Ų11751%0.50857%0.574SS.*Hα-helixtrans-66-35.6178.5-72.5-23000112.4T235 D236 S237 K243T235-N239 WeakPolarHBondContact O-CB 3.44Å; T235-N239 VanDerWaalsContact O-CG 3.26Å; T235-N239 PolarHBondContact O-N 3.43Å; T235-N239 PolarHBondContact O-ND2 3.37Å; D236-N239 PolarHBondContact O-N 2.88Å; S237-N239 VanDerWaalsContact C-N 3.3Å; S237-N239 PolarHBondContact O-N 2.9Å; N239-K243 PolarHBondContact O-N 3Å; N239-K243 VanDerWaalsContact O-N 3.1Å
240Q81.8Confident77.1Confident136 Ų136116.1 Ų116.164%0.63658%0.579SS**Hα-helixtrans-64.7-44.8173.4-7317531.300111.8D236 S237 I238 K242 K243 S244D236-Q240 WeakPolarHBondContact O-CG 3.4Å; D236-Q240 PolarHBondContact O-N 3.4Å; S237-Q240 PolarHBondContact O-N 3.41Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3Å; Q240-K242 PolarHBondContact O-N 3.12Å; Q240-K243 PolarHBondContact O-N 3.39Å; Q240-S244 PolarHBondContact O-N 2.9Å; Q240-S244 VanDerWaalsContact O-N 3.09Å; Q240-S244 PolarHBondContact O-OG 3.38Å
241F79Confident75.2Confident143 Ų143119.7 Ų119.763%0.62759%0.589SS**Hα-helixtrans-61.1-44.4176.8-77.6-67.7000112.4S237 I238 K243 S244 E245S237-F241 WeakPolarHBondContact O-CD2 3.33Å; S237-F241 PolarHBondContact O-N 2.92Å; I238-F241 PolarHBondContact O-N 3.36Å; F241-K243 VanDerWaalsContact C-N 3.28Å; F241-K243 PolarHBondContact O-N 3.24Å; F241-S244 WeakPolarHBondContact CA-OG 3.34Å; F241-S244 PolarHBondContact O-N 3.26Å; F241-S244 PolarHBondContact O-OG 3.05Å; F241-E245 PolarHBondContact O-N 3.05Å
242K79.3Confident73.3Confident122 Ų122120.2 Ų120.253%0.5360%0.597SS.*Hα-helixtrans-61.2-35.6175.2-71.7179.5179-178.10112.7I238 Q240 N246I238-K242 HydrophobicContact CG2-CD 4.28Å; I238-K242 WeakPolarHBondContact O-CG 3.26Å; I238-K242 PolarHBondContact O-N 2.89Å; Q240-K242 PolarHBondContact O-N 3.12Å; K242-N246 PolarHBondContact O-N 2.96Å; K242-N246 PolarHBondContact O-ND2 2.94Å
243K72.6Confident71.5Confident169 Ų169122.7 Ų122.774%0.73561%0.608SS**Hα-helixtrans-70.6-33.5177.8-164.6173.8-177.2178.30112.2N239 Q240 F241N239-K243 PolarHBondContact O-N 3Å; N239-K243 VanDerWaalsContact O-N 3.1Å; Q240-K243 PolarHBondContact O-N 3.39Å; F241-K243 VanDerWaalsContact C-N 3.28Å; F241-K243 PolarHBondContact O-N 3.24Å
244S60.1Low69.4Low67 Ų67126 Ų12647%0.46962%0.622SS.*Hα-helixtrans-73.9-35.6174.546.10000113.6Q240 F241 N246 H247Q240-S244 PolarHBondContact O-N 2.9Å; Q240-S244 VanDerWaalsContact O-N 3.09Å; Q240-S244 PolarHBondContact O-OG 3.38Å; F241-S244 WeakPolarHBondContact CA-OG 3.34Å; F241-S244 PolarHBondContact O-N 3.26Å; F241-S244 PolarHBondContact O-OG 3.05Å; S244-N246 VanDerWaalsContact C-N 3.32Å; S244-N246 PolarHBondContact O-N 3.39Å; S244-H247 PolarHBondContact O-N 3.2Å
245E59.4Low67.5Low137 Ų137129.6 Ų129.664%0.6464%0.636SS**Hα-helixtrans-66.5-33.7178.3-75.7-179.6157.700112.4F241 H247 T248F241-E245 PolarHBondContact O-N 3.05Å; E245-H247 PolarHBondContact O-N 3.2Å; E245-T248 PolarHBondContact O-N 3.05Å; E245-T248 PolarHBondContact O-OG1 3.12Å
246N56Low65.3Low132 Ų132134.1 Ų134.171%0.70665%0.652SS**THydrogen-bonded Turntrans-70.1-9.1177.6-69.5-33.9000114.6K242 S244K242-N246 PolarHBondContact O-N 2.96Å; K242-N246 PolarHBondContact O-ND2 2.94Å; S244-N246 VanDerWaalsContact C-N 3.32Å; S244-N246 PolarHBondContact O-N 3.39Å
247H54.3Low63.3Low170 Ų170136.6 Ų136.679%0.78767%0.673SS**THydrogen-bonded Turntrans-96.5-9.4175.9-165.8-82.1000112.7S244 E245S244-H247 PolarHBondContact O-N 3.2Å; E245-H247 PolarHBondContact O-N 3.2Å
248T50.7Low61.2Low85 Ų85142.9 Ų142.952%0.52169%0.69SS.*  trans-105.665.7176.753.20000110.6E245 I250E245-T248 PolarHBondContact O-N 3.05Å; E245-T248 PolarHBondContact O-OG1 3.12Å; T248-I250 PolarHBondContact O-N 2.93Å
249D53.2Low59.6Low155 Ų155145.9 Ų145.983%0.82971%0.712SS**  trans-68.172.6157.9-85-31.3000108.7K251D249-K251 PolarHBondContact O-N 2.88Å; D249-K251 VanDerWaalsContact O-N 3.12Å
250I54.1Low57.9Low125 Ų125148.8 Ų148.864%0.64172%0.723SS**  trans-70.6107.1167.7-62.1175.8000105.4T248 I252T248-I250 PolarHBondContact O-N 2.93Å; I250-I252 HydrophobicContact CB-CG1 4.44Å; I250-I252 HydrophobicContact CG2-CD1 4.45Å; I250-I252 HydrophobicContact CG2-CG1 3.72Å; I250-I252 PolarHBondContact O-N 3.43Å
251K54.4Low56.7Low198 Ų198149.2 Ų149.286%0.86173%0.729SS**  trans-56.477.8163.8-79.5174.6175.4171.10109.7D249 K253D249-K251 PolarHBondContact O-N 2.88Å; D249-K251 VanDerWaalsContact O-N 3.12Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 3.45Å
252I54.7Low55.7Low146 Ų146149.5 Ų149.575%0.74974%0.737SS**  trans-74.897.3164.1-59.3-177.8000105.3I250 K254I250-I252 HydrophobicContact CB-CG1 4.44Å; I250-I252 HydrophobicContact CG2-CD1 4.45Å; I250-I252 HydrophobicContact CG2-CG1 3.72Å; I250-I252 PolarHBondContact O-N 3.43Å; I252-K254 PolarHBondContact O-N 2.95Å
253K56.2Low54.7Low187 Ų187148.9 Ų148.981%0.81375%0.748SS**  trans-58124.9168-80.5179.9176.3177.30107.8K251 E255K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 3.45Å; K253-E255 PolarHBondContact O-N 3.22Å
254K49.4Very low53.8Low200 Ų200145 Ų14587%0.8776%0.757SS**  trans-54.795.3175.9-157.8175.3-169.1175.80109.9I252I252-K254 PolarHBondContact O-N 2.95Å
255E54Low53.5Low186 Ų186145.3 Ų145.387%0.86977%0.77SS**  trans-98.4120159.2-78-172.5171.100108.3K253K253-E255 PolarHBondContact O-N 3.22Å
256Q45.8Very low53.2Low165 Ų165145.2 Ų145.277%0.77177%0.774SS**  trans-68.2124.5178.1-66.3168.3-20.600108.6
257C48.5Very low53.3Low122 Ų122149.5 Ų149.582%0.82478%0.782SS**  trans-128117.3156.6-169.50000107.4
258Y46.6Very low53.6Low187 Ų187146.3 Ų146.373%0.73378%0.779SS**  trans-76.6127.5171.3-77.5-100.1000108.7
259T56Low53.9Low136 Ų136149.6 Ų149.683%0.83479%0.793SS**  trans-149.9123.6143.548.80000108.2
260E50.5Low54Low156 Ų156149.3 Ų149.373%0.72979%0.791SS**  trans-74165.7179.5-60.1171.1154.900111
261D56.8Low53.8Low145 Ų145150.2 Ų150.278%0.77580%0.798SS**  trans77.5109.4157.6-46.5-31.9000118.3
262D56.6Low53.9Low149 Ų149147.2 Ų147.280%0.79779%0.791SS**  173.4133.482.5-153.5-6.2000112.6
263S59.2Low53.9Low109 Ų109147.2 Ų147.276%0.76279%0.792SS**  trans25.6117.2153.6-62.80000123
264G52.8Low53.8Low88 Ų88145.7 Ų145.791%0.90779%0.793SS**  88.5107.7105.200000119.2
265G53.8Low54.8Low73 Ų73143.7 Ų143.775%0.75379%0.787SS**  trans170.577.3163.900000114.1
266D53.9Low54.9Low135 Ų135139.2 Ų139.272%0.72278%0.776SS**  trans-79118.2173.4-172.62.1000110.2S268D266-S268 PolarHBondContact OD1-N 3.44Å
267Y58Low55.8Low223 Ų223137.3 Ų137.388%0.87577%0.771SS**  trans-129.192.4161.3-76.1-74.6000108.6N269Y267-N269 PolarHBondContact O-N 3.01Å
268S60.6Low56.3Low102 Ų102138.8 Ų138.871%0.71377%0.771SS**  trans-52.4113.7167.2-73.20000111.5D266D266-S268 PolarHBondContact OD1-N 3.44Å
269N56.7Low57.2Low155 Ų155136.7 Ų136.783%0.82977%0.772SS**  trans-93.898.3167.1-167.413.4000108.6Y267 N271Y267-N269 PolarHBondContact O-N 3.01Å; N269-N271 PolarHBondContact O-N 3.3Å
270N55.5Low57.5Low148 Ų148137.6 Ų137.679%0.79177%0.772SS**  trans-84.8103.3175.8-112.7-7.4000109.5
271N49.8Very low58.3Low145 Ų145136.8 Ų136.878%0.77577%0.773SS**  trans-86119.4166.2-157.314.4000107.7N269N269-N271 PolarHBondContact O-N 3.3Å
272N55.6Low58.7Low135 Ų135137.2 Ų137.272%0.72278%0.775SS**  trans-169.6104.1165.8-95.8-16.3000109.2
273N54.6Low59.3Low145 Ų145138.4 Ų138.478%0.77578%0.776SS**  172.5131.890.1-98.7-17.4000111.6
274N56Low59.5Low155 Ų155140 Ų14083%0.82978%0.776SS**  trans-60.9143.7165.8-62-43.9000111
275H70.3Confident60Low159 Ų159140.7 Ų140.774%0.73676%0.759SS**  trans-143.3101.2135.9-159.86.5000107.3D277H275-D277 IonicContact CE1-OD1 3.95Å; H275-D277 IonicContact CE1-OD2 2.98Å; H275-D277 PolarHBondContact CE1-OD2 3.16Å; H275-D277 IonicContact ND1-OD2 3.79Å; H275-D277 IonicContact NE2-OD2 3.31Å; H275-D277 PolarHBondContact NE2-OD2 2.82Å
276S54.9Low60.5Low92 Ų92143.1 Ų143.164%0.64375%0.753SS**  trans-67.3127.2154.742.50000107.8
277D65.7Low60.9Low125 Ų125139.9 Ų139.967%0.66874%0.741SS**  trans-145.8121.4145.7-81.9-33.1000106.7H275H275-D277 IonicContact CE1-OD1 3.95Å; H275-D277 IonicContact CE1-OD2 2.98Å; H275-D277 PolarHBondContact CE1-OD2 3.16Å; H275-D277 IonicContact ND1-OD2 3.79Å; H275-D277 IonicContact NE2-OD2 3.31Å; H275-D277 PolarHBondContact NE2-OD2 2.82Å
278D59.1Low61.1Low152 Ų152134.2 Ų134.281%0.81373%0.726SS**  trans-73.7122.2172.2-63-59.6000108
279D65.3Low61.1Low144 Ų144135.7 Ų135.777%0.7772%0.722SS**  trans-134.5102.3161.6-81-43.9000107.9D281D279-D281 PolarHBondContact O-N 2.96Å
280D61.8Low61.3Low155 Ų155134.5 Ų134.583%0.82971%0.714SS**  trans-68.993.7167.5-70.1-54.9000108.8
281D68.3Low61.6Low139 Ų139132.4 Ų132.474%0.74370%0.703SS**  trans-95.199.8167.5-81.2-38.4000109.7D279 E283D279-D281 PolarHBondContact O-N 2.96Å; D281-E283 VanDerWaalsContact C-N 3.33Å; D281-E283 PolarHBondContact O-N 3.5Å
282D63.2Low62.2Low154 Ų154129.9 Ų129.982%0.82469%0.69SS**  trans-59.989.5164.6-73.1-49000109.7D284D282-D284 PolarHBondContact O-N 3.11Å
283E69.8Low62.4Low173 Ų173131 Ų13181%0.80869%0.688SS**  trans-72.495.5169.8-78.7-78.1178.900109.5D281 N285D281-E283 VanDerWaalsContact C-N 3.33Å; D281-E283 PolarHBondContact O-N 3.5Å; E283-N285 PolarHBondContact O-N 3.23Å; E283-N285 VanDerWaalsContact O-N 3.07Å
284D64.7Low62.8Low142 Ų142134.3 Ų134.376%0.75969%0.69SS**  trans-44.5111.4166.4-78-45.2000110.7D282 I286D282-D284 PolarHBondContact O-N 3.11Å; D284-I286 VanDerWaalsContact C-N 3.25Å; D284-I286 PolarHBondContact O-N 3.06Å
285N61.5Low63.1Low103 Ų103131.6 Ų131.655%0.55168%0.679SS**  trans-65.380175.5177.927.5000111.1E283 S287 D288E283-N285 PolarHBondContact O-N 3.23Å; E283-N285 VanDerWaalsContact O-N 3.07Å; N285-S287 PolarHBondContact O-N 3.26Å; N285-S287 WeakPolarHBondContact OD1-CB 3.38Å; N285-S287 PolarHBondContact OD1-OG 2.89Å; N285-D288 PolarHBondContact ND2-OD2 3.15Å
286I64.4Low62.8Low125 Ų125131.3 Ų131.364%0.64168%0.676SS**THydrogen-bonded Turntrans-75.52177.6-135.1158.5000112.8D284 D288D284-I286 VanDerWaalsContact C-N 3.25Å; D284-I286 PolarHBondContact O-N 3.06Å; I286-D288 VanDerWaalsContact C-N 3.33Å; I286-D288 PolarHBondContact O-N 2.72Å
287S63.3Low63Low66 Ų66134.3 Ų134.346%0.46269%0.685SS.*Hα-helixtrans-76.6-19.2-177.6810000113.7N285 N291N285-S287 PolarHBondContact O-N 3.26Å; N285-S287 WeakPolarHBondContact OD1-CB 3.38Å; N285-S287 PolarHBondContact OD1-OG 2.89Å; S287-N291 PolarHBondContact O-ND2 3.41Å
288D61.5Low62.7Low104 Ų104134.1 Ų134.156%0.55669%0.688SS**Hα-helixtrans-83.1-18.2-179.6-71.3-31.2000113.4N285 I286N285-D288 PolarHBondContact ND2-OD2 3.15Å; I286-D288 VanDerWaalsContact C-N 3.33Å; I286-D288 PolarHBondContact O-N 2.72Å
289E61.9Low62.3Low134 Ų134138.1 Ų138.163%0.62671%0.707SS**Hα-helixtrans-86.4-27.8-178.9-159167.5-171.500113.2N292E289-N292 PolarHBondContact O-N 3.31Å
290L59.8Low62.2Low129 Ų129137.8 Ų137.868%0.67570%0.704SS**Hα-helixtrans-76.8-22.9176.6-73.8171.7000113.3N292L290-N292 VanDerWaalsContact C-N 3.27Å; L290-N292 PolarHBondContact O-N 3.08Å
291N61.5Low62.2Low105 Ų105136.9 Ų136.956%0.56170%0.697SS**Hα-helixtrans-74.1-17.2175.3-77-30.4000113.3S287 T295S287-N291 PolarHBondContact O-ND2 3.41Å; N291-T295 PolarHBondContact O-OG1 3.48Å
292N62.5Low61.9Low92 Ų92136.8 Ų136.849%0.49270%0.695SS.*Hα-helixtrans-84.6-17.1177.8-98.5-10.8000114.5E289 L290E289-N292 PolarHBondContact O-N 3.31Å; L290-N292 VanDerWaalsContact C-N 3.27Å; L290-N292 PolarHBondContact O-N 3.08Å
293F59.5Low61.8Low158 Ų158135.8 Ų135.869%0.69369%0.687SS**Hα-helixtrans-85.1-28.6175.5-86.2-83.2000112.8T295F293-T295 VanDerWaalsContact C-N 3.35Å; F293-T295 PolarHBondContact O-N 3.04Å
294R62.9Low61.3Low214 Ų214133.4 Ų133.481%0.80868%0.679SS**Hα-helixtrans-76.5-21.3-177.1-159.7171.4-173.2169.62.7113.7
295T63.2Low61Low98 Ų98132.9 Ų132.960%0.60167%0.674SS**THydrogen-bonded Turntrans-95.3-8.7-17748.50000114N291 F293N291-T295 PolarHBondContact O-OG1 3.48Å; F293-T295 VanDerWaalsContact C-N 3.35Å; F293-T295 PolarHBondContact O-N 3.04Å
296K63.5Low61Low154 Ų154135 Ų13567%0.6768%0.683SS**SBendtrans-100.5-4.7-176.3-68.9-178.9-177.5172.50115.3
297N60.2Low60.7Low155 Ų155135.8 Ų135.883%0.82969%0.686SS**SBendtrans-106.420.2178.4-93.119.5000114.2
298T58Low60.5Low121 Ų121141.6 Ų141.674%0.74271%0.705SS**  trans-10982.5172.1-49.40000109
299I52Low60.5Low235 Ų235145 Ų145100%1.20572%0.718SS**  trans-126.80159.9-76177.5000106.7

Retrieved 299 of 299 residues in 41.4 ms (Link to these results)

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