A0A096NU73_PAPAN Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A096NU73, Species PAPAN (Papio anubis, Olive baboon), Gene GRK4, Length 578 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.5Low81.7Confident185 Ų18591.3 Ų91.391%0.91147%0.472SS*.  0-58.20-68.8-174.1-70.500110.2L3 E4 L479M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.77Å; M1-E4 PolarHBondContact O-N 3.34Å; M1-L479 HydrophobicContact CB-CD1 4.05Å; M1-L479 HydrophobicContact CG-CD1 4.49Å
2E71.1Confident82.4Confident160 Ų16083.9 Ų83.975%0.74843%0.434SS*.Hα-helixtrans-58.6-38.4173.2-136.5170.6-171.400113.4E4 N5 I6E2-E4 PolarHBondContact O-N 3.1Å; E2-N5 PolarHBondContact O-N 3.49Å; E2-I6 HydrophobicContact CB-CD1 4.37Å; E2-I6 HydrophobicContact CG-CD1 4.12Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.21Å; E2-I6 PolarHBondContact O-N 2.65Å
3L80.2Confident82.9Confident113 Ų11380 Ų8059%0.59241%0.414SS*.Hα-helixtrans-60.4-39.5-178.4-168.968.4000113.6M1 I6 M7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.77Å; L3-I6 PolarHBondContact O-N 3.39Å; L3-M7 HydrophobicContact CD1-CG 4.47Å; L3-M7 HydrophobicContact CD2-CE 4.27Å; L3-M7 HydrophobicContact CG-CE 3.93Å; L3-M7 HydrophobicContact CG-CG 4.36Å; L3-M7 HydrophobicContact CG-SD 4.24Å; L3-M7 WeakPolarHBondContact O-CB 3.29Å; L3-M7 VanDerWaalsContact O-CG 3.23Å; L3-M7 WeakPolarHBondContact O-CG 3.45Å; L3-M7 PolarHBondContact O-N 3.34Å
4E81.2Confident83.2Confident124 Ų12485.6 Ų85.658%0.57943%0.433SS*.Hα-helixtrans-65.3-44179.7-73.5-177.2173.400111.4M1 E2 M7 A8M1-E4 PolarHBondContact O-N 3.34Å; E2-E4 PolarHBondContact O-N 3.1Å; E4-M7 PolarHBondContact O-N 3.03Å; E4-A8 WeakPolarHBondContact O-CB 3.16Å; E4-A8 PolarHBondContact O-N 3Å
5N84.1Confident83.4Confident19 Ų1980.7 Ų80.710%0.10241%0.411CS..Hα-helixtrans-66.4-43.2177.6-167.855.3000111.4E2 A8 N9 R191 D477 V478E2-N5 PolarHBondContact O-N 3.49Å; N5-A8 PolarHBondContact O-N 3.36Å; N5-N9 WeakPolarHBondContact O-CB 3.21Å; N5-N9 PolarHBondContact O-N 3.03Å; N5-R191 PolarHBondContact OD1-NH1 3.47Å; N5-D477 PolarHBondContact ND2-OD1 2.87Å; N5-V478 PolarHBondContact OD1-N 3.49Å
6I85.4Confident83.4Confident87 Ų8777.7 Ų77.745%0.44639%0.393SS..Hα-helixtrans-61.4-46.6176.4-67.7165.5000111E2 L3 N9 S10E2-I6 HydrophobicContact CB-CD1 4.37Å; E2-I6 HydrophobicContact CG-CD1 4.12Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.21Å; E2-I6 PolarHBondContact O-N 2.65Å; L3-I6 PolarHBondContact O-N 3.39Å; I6-N9 PolarHBondContact O-N 3.14Å; I6-S10 VanDerWaalsContact O-CB 3.26Å; I6-S10 WeakPolarHBondContact O-CB 3.13Å; I6-S10 PolarHBondContact O-N 3.47Å; I6-S10 PolarHBondContact O-OG 3.33Å
7M86.9Confident82.8Confident95 Ų9579.9 Ų79.947%0.46840%0.401SS..Hα-helixtrans-62.7-46.3177.4-74.6-172.6-60.300111.2L3 E4 N9 S10 L11L3-M7 HydrophobicContact CD1-CG 4.47Å; L3-M7 HydrophobicContact CD2-CE 4.27Å; L3-M7 HydrophobicContact CG-CE 3.93Å; L3-M7 HydrophobicContact CG-CG 4.36Å; L3-M7 HydrophobicContact CG-SD 4.24Å; L3-M7 WeakPolarHBondContact O-CB 3.29Å; L3-M7 VanDerWaalsContact O-CG 3.23Å; L3-M7 WeakPolarHBondContact O-CG 3.45Å; L3-M7 PolarHBondContact O-N 3.34Å; E4-M7 PolarHBondContact O-N 3.03Å; M7-N9 PolarHBondContact O-N 2.85Å; M7-S10 PolarHBondContact O-N 2.89Å; M7-L11 WeakPolarHBondContact O-CB 3.21Å; M7-L11 VanDerWaalsContact O-CG 3.27Å; M7-L11 WeakPolarHBondContact O-CG 3.48Å; M7-L11 PolarHBondContact O-N 3.1Å
8A87.6Confident81.6Confident22 Ų2276.3 Ų76.318%0.18239%0.388CS..Hα-helixtrans-60.7-42.8179.200000112.2E4 N5 L12 R191 V478E4-A8 WeakPolarHBondContact O-CB 3.16Å; E4-A8 PolarHBondContact O-N 3Å; N5-A8 PolarHBondContact O-N 3.36Å; A8-L12 PolarHBondContact O-N 3.38Å; A8-L12 VanDerWaalsContact O-N 3.14Å; A8-R191 HydrophobicContact CB-CB 3.95Å; A8-V478 HydrophobicContact CB-CG2 4.35Å
9N88.9Confident79.8Confident29 Ų2975.4 Ų75.416%0.15540%0.399CS..Hα-helixtrans-66.8-47.3174.9-76.7-12.1000112.1N5 I6 M7 L11 L12 L13 R191 V473N5-N9 WeakPolarHBondContact O-CB 3.21Å; N5-N9 PolarHBondContact O-N 3.03Å; I6-N9 PolarHBondContact O-N 3.14Å; M7-N9 PolarHBondContact O-N 2.85Å; N9-L11 VanDerWaalsContact C-N 3.29Å; N9-L11 PolarHBondContact O-N 3.09Å; N9-L12 PolarHBondContact O-N 3.28Å; N9-L12 VanDerWaalsContact O-N 3.15Å; N9-L13 WeakPolarHBondContact O-CB 3.22Å; N9-L13 WeakPolarHBondContact O-CG 3.38Å; N9-L13 PolarHBondContact O-N 2.74Å; N9-R191 VanDerWaalsContact OD1-CD 3.27Å; N9-R191 WeakPolarHBondContact OD1-CD 3.46Å; N9-R191 PolarHBondContact OD1-NH1 3.42Å; N9-V473 HydrophobicContact CB-CG2 4.4Å
10S88.3Confident77.8Confident66 Ų6682.2 Ų82.246%0.46242%0.421SS..Hα-helixtrans-60.1-40.7179.9-60.40000111.7I6 M7 K14I6-S10 VanDerWaalsContact O-CB 3.26Å; I6-S10 WeakPolarHBondContact O-CB 3.13Å; I6-S10 PolarHBondContact O-N 3.47Å; I6-S10 PolarHBondContact O-OG 3.33Å; M7-S10 PolarHBondContact O-N 2.89Å; S10-K14 VanDerWaalsContact O-CB 3.24Å; S10-K14 WeakPolarHBondContact O-CB 3.25Å; S10-K14 PolarHBondContact O-N 2.73Å
11L88.9Confident76.1Confident104 Ų10482.3 Ų82.355%0.54544%0.442SS..Hα-helixtrans-65.1-42.9175.6-72.9172.1000112.2M7 N9 A15 Y190M7-L11 WeakPolarHBondContact O-CB 3.21Å; M7-L11 VanDerWaalsContact O-CG 3.27Å; M7-L11 WeakPolarHBondContact O-CG 3.48Å; M7-L11 PolarHBondContact O-N 3.1Å; N9-L11 VanDerWaalsContact C-N 3.29Å; N9-L11 PolarHBondContact O-N 3.09Å; L11-A15 WeakPolarHBondContact O-CB 3.4Å; L11-A15 PolarHBondContact O-N 2.97Å; L11-Y190 HydrophobicContact CB-CD1 4.43Å
12L90.1Very high75.6Confident3 Ų381.9 Ų81.92%0.01644%0.436CS..Hα-helixtrans-65-47.7177.217862.3000111.6A8 N9 K14 A15 R16 R191 L193 A203 M212A8-L12 PolarHBondContact O-N 3.38Å; A8-L12 VanDerWaalsContact O-N 3.14Å; N9-L12 PolarHBondContact O-N 3.28Å; N9-L12 VanDerWaalsContact O-N 3.15Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.47Å; L12-A15 WeakPolarHBondContact O-CB 3.25Å; L12-A15 PolarHBondContact O-N 3.35Å; L12-A15 VanDerWaalsContact O-N 3.11Å; L12-R16 HydrophobicContact CD1-CG 4.49Å; L12-R16 WeakPolarHBondContact O-CG 3.23Å; L12-R16 PolarHBondContact O-N 2.88Å; L12-R191 HydrophobicContact CB-CG 4.24Å; L12-R191 HydrophobicContact CD2-CG 3.76Å; L12-L193 HydrophobicContact CD2-CD2 4.15Å; L12-A203 HydrophobicContact CD1-CB 3.62Å; L12-M212 HydrophobicContact CD1-CE 3.85Å
13L89.1Confident74.9Confident33 Ų3381.3 Ų81.317%0.17343%0.431CS..Hα-helixtrans-61.3-42.3179-69.6173.9000111.2N9 A15 R16 Q17 H471 V473N9-L13 WeakPolarHBondContact O-CB 3.22Å; N9-L13 WeakPolarHBondContact O-CG 3.38Å; N9-L13 PolarHBondContact O-N 2.74Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.43Å; L13-R16 PolarHBondContact O-N 3.36Å; L13-Q17 WeakPolarHBondContact O-CG 3.33Å; L13-Q17 PolarHBondContact O-N 3.05Å; L13-H471 WeakPolarHBondContact CD1-O 3.36Å; L13-V473 HydrophobicContact CD1-CG2 4.49Å; L13-V473 HydrophobicContact CD2-CG2 4.01Å; L13-V473 HydrophobicContact CG-CG2 4.17Å
14K87.1Confident74.2Confident158 Ų15879.6 Ų79.669%0.68743%0.428SS*.Hα-helixtrans-62.2-38.1174-172.8173.4-176.71740112.3S10 L12 G18S10-K14 VanDerWaalsContact O-CB 3.24Å; S10-K14 WeakPolarHBondContact O-CB 3.25Å; S10-K14 PolarHBondContact O-N 2.73Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.47Å; K14-G18 PolarHBondContact O-N 2.6Å
15A86.1Confident74.1Confident12 Ų1274.3 Ų74.310%0.09941%0.407CS..Hα-helixtrans-68.2-37.1175.400000112.4L11 L12 L13 G18 Y190 M212L11-A15 WeakPolarHBondContact O-CB 3.4Å; L11-A15 PolarHBondContact O-N 2.97Å; L12-A15 WeakPolarHBondContact O-CB 3.25Å; L12-A15 PolarHBondContact O-N 3.35Å; L12-A15 VanDerWaalsContact O-N 3.11Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.43Å; A15-G18 PolarHBondContact O-N 3.49Å; A15-Y190 HydrophobicContact CB-CD1 4.33Å; A15-Y190 HydrophobicContact CB-CE1 3.64Å; A15-Y190 HydrophobicContact CB-CE2 4.23Å; A15-M212 HydrophobicContact CB-CE 4.23Å; A15-M212 HydrophobicContact CB-SD 4.02Å
16R83.3Confident74.4Confident33 Ų3375.1 Ų75.113%0.12541%0.408CS..Hα-helixtrans-65.3-44.6173.9-73.2173.669.8-164.12.1112.3L12 L13 G18 N268 D322 P470 A472L12-R16 HydrophobicContact CD1-CG 4.49Å; L12-R16 WeakPolarHBondContact O-CG 3.23Å; L12-R16 PolarHBondContact O-N 2.88Å; L13-R16 PolarHBondContact O-N 3.36Å; R16-G18 PolarHBondContact O-N 3.43Å; R16-N268 PolarHBondContact NE-ND2 3.3Å; R16-D322 IonicContact CZ-OD1 3.01Å; R16-D322 IonicContact NE-OD1 3.86Å; R16-D322 IonicContact NH2-OD1 2.77Å; R16-D322 PolarHBondContact NH2-OD1 3.35Å; R16-P470 PolarHBondContact NH1-O 3.49Å; R16-A472 PolarHBondContact NH1-O 3.33Å
17Q73.3Confident74.7Confident115 Ų11572.1 Ų72.154%0.53740%0.395SS..Hα-helixtrans-65.9-21.1-179.9-72.3174.6-6.400113.2L13 G19 H471L13-Q17 WeakPolarHBondContact O-CG 3.33Å; L13-Q17 PolarHBondContact O-N 3.05Å; Q17-G19 PolarHBondContact O-N 3.1Å; Q17-H471 PolarHBondContact NE2-CD2 3.05Å
18G60Low74.9Confident15 Ų1578 Ų7816%0.15542%0.418CS..THydrogen-bonded Turntrans-75.134177.500000115.9K14 A15 R16K14-G18 PolarHBondContact O-N 2.6Å; A15-G18 PolarHBondContact O-N 3.49Å; R16-G18 PolarHBondContact O-N 3.43Å
19G49Very low75.1Confident59 Ų5982.9 Ų82.961%0.60844%0.435SS*.THydrogen-bonded Turntrans-138.7-5.9-173.200000116.9Q17Q17-G19 PolarHBondContact O-N 3.1Å
20Y39.2Very low75.4Confident211 Ų21182.9 Ų82.983%0.82743%0.433SS*.SBendtrans-108.2104.1170.7-81.3-88.3000110.2K22Y20-K22 PolarHBondContact O-N 2.9Å
21G40.9Very low75.5Confident85 Ų8585.4 Ų85.488%0.87643%0.433SS*.SBendtrans83.4-3161.200000118.9
22K47.9Very low75.7Confident176 Ų17686.6 Ų86.677%0.76544%0.435SS*.SBendtrans-133.6136.8168-69.9-179.2-178.4172.90109.9Y20 S24Y20-K22 PolarHBondContact O-N 2.9Å; K22-S24 PolarHBondContact O-N 3.22Å
23K54.5Low75.9Confident148 Ų14890.6 Ų90.664%0.64346%0.456SS*.  trans-64.156.1-178.7-57.9-170.8179.7-1550113.2D524K23-D524 VanDerWaalsContact NZ-CG 3.35Å; K23-D524 IonicContact NZ-OD1 2.72Å; K23-D524 PolarHBondContact NZ-OD1 3.35Å; K23-D524 IonicContact NZ-OD2 3.79Å; K23-D524 PolarHBondContact NZ-OD2 3.27Å
24S65.8Low76.2Confident78 Ų7889.7 Ų89.755%0.54545%0.451SS..  trans-122.743.4-161.276.10000115.9K22K22-S24 PolarHBondContact O-N 3.22Å
25G79.9Confident76.5Confident12 Ų1286 Ų8612%0.12444%0.441CS..SBendtrans-128.9-19.9162.200000114.1R188G25-R188 PolarHBondContact O-NH1 2.85Å
26R90.4Very high76.9Confident37 Ų3786 Ų8614%0.1444%0.44CS..SBendtrans-67.1145.2-176.6-58.7-168.5-169.6160.45.4112W30 A208 T209 S519 C521 D524R26-W30 HydrophobicContact CB-CB 4.14Å; R26-W30 HydrophobicContact CB-CG 4.05Å; R26-W30 VanDerWaalsContact NH1-CH2 3.32Å; R26-A208 WeakPolarHBondContact CB-O 3.43Å; R26-A208 WeakPolarHBondContact CD-O 3.38Å; R26-A208 VanDerWaalsContact CG-O 3.24Å; R26-A208 WeakPolarHBondContact CG-O 3.27Å; R26-T209 WeakPolarHBondContact CG-O 3.25Å; R26-S519 PolarHBondContact NH2-O 3.23Å; R26-C521 VanDerWaalsContact CZ-SG 3.52Å; R26-D524 IonicContact CZ-OD2 3.87Å; R26-D524 IonicContact NH1-OD2 3.17Å; R26-D524 PolarHBondContact NH1-OD2 3.25Å; R26-D524 IonicContact NH2-OD2 2.74Å; R26-D524 PolarHBondContact NH2-OD2 3.09Å
27S92Very high77.4Confident24 Ų2484.8 Ų84.817%0.16844%0.436CS..  trans-57.3145.6165.7-178.90000110.8K29 W30 R207S27-K29 PolarHBondContact O-N 3.41Å; S27-K29 VanDerWaalsContact O-N 3.1Å; S27-K29 PolarHBondContact OG-N 3.19Å; S27-W30 WeakPolarHBondContact O-CB 3.46Å; S27-W30 PolarHBondContact O-N 2.89Å; S27-R207 VanDerWaalsContact CB-O 3.28Å; S27-R207 WeakPolarHBondContact CB-O 3.39Å; S27-R207 PolarHBondContact N-O 3.25Å
28K90.6Very high78.4Confident217 Ų21782.7 Ų82.794%0.94343%0.432SS*.THydrogen-bonded Turntrans-56.7-27.3172-67.6-175.4178.8-1790112.5
29K92.8Very high79.9Confident125 Ų12585.6 Ų85.654%0.54345%0.447SS..THydrogen-bonded Turntrans-9616.3179.2-60.8-173.6169.2-157.70114S27 R31 E32 I33S27-K29 PolarHBondContact O-N 3.41Å; S27-K29 VanDerWaalsContact O-N 3.1Å; S27-K29 PolarHBondContact OG-N 3.19Å; K29-R31 PolarHBondContact O-N 3.27Å; K29-R31 VanDerWaalsContact O-N 3.16Å; K29-E32 WeakPolarHBondContact CD-OE2 3.35Å; K29-E32 WeakPolarHBondContact O-CB 3.22Å; K29-E32 PolarHBondContact O-N 2.85Å; K29-I33 WeakPolarHBondContact O-CG1 3.37Å; K29-I33 PolarHBondContact O-N 3.32Å; K29-I33 VanDerWaalsContact O-N 3.15Å
30W93.7Very high81.9Confident30 Ų3087.2 Ų87.211%0.11445%0.449CS..Hα-helixtrans-58.9-32-172.874.1-89.9000114.1R26 S27 I33 L34 A208 D524 I525R26-W30 HydrophobicContact CB-CB 4.14Å; R26-W30 HydrophobicContact CB-CG 4.05Å; R26-W30 VanDerWaalsContact NH1-CH2 3.32Å; S27-W30 WeakPolarHBondContact O-CB 3.46Å; S27-W30 PolarHBondContact O-N 2.89Å; W30-I33 PolarHBondContact O-N 3.14Å; W30-L34 HydrophobicContact CE3-CD1 4.23Å; W30-L34 PolarHBondContact O-N 3.18Å; W30-A208 WeakPolarHBondContact CB-O 3.27Å; W30-D524 HydrophobicContact CH2-CB 3.72Å; W30-D524 HydrophobicContact CZ2-CB 4.38Å; W30-I525 HydrophobicContact CH2-CG1 4.35Å; W30-I525 HydrophobicContact CZ3-CD1 3.97Å; W30-I525 HydrophobicContact CZ3-CG1 3.92Å
31R91.8Very high84.4Confident119 Ų11982 Ų8245%0.44943%0.432SS..Hα-helixtrans-67.5-37.7176.6-67.5-170.6-178.7-85.25.7112.3K29 I33 L34 T35 D524K29-R31 PolarHBondContact O-N 3.27Å; K29-R31 VanDerWaalsContact O-N 3.16Å; R31-I33 VanDerWaalsContact C-N 3.32Å; R31-L34 CarbonylContact O-C 3.28Å; R31-T35 PolarHBondContact O-N 2.71Å; R31-T35 PolarHBondContact O-OG1 2.58Å; R31-D524 PolarHBondContact NH1-O 3.26Å
32E92.4Very high86.9Confident129 Ų12978.1 Ų78.160%0.60339%0.392SS*.Hα-helixtrans-63.9-42.4173.9-63.2166.5-154.900110K29 L34 T35K29-E32 WeakPolarHBondContact CD-OE2 3.35Å; K29-E32 WeakPolarHBondContact O-CB 3.22Å; K29-E32 PolarHBondContact O-N 2.85Å; E32-L34 PolarHBondContact O-N 2.91Å; E32-T35 PolarHBondContact O-OG1 3.17Å
33I93.9Very high89Confident87 Ų8772.6 Ų72.645%0.44638%0.375SS..Hα-helixtrans-64.9-38.8-179.5-60.4167.7000112K29 W30 R31 A208K29-I33 WeakPolarHBondContact O-CG1 3.37Å; K29-I33 PolarHBondContact O-N 3.32Å; K29-I33 VanDerWaalsContact O-N 3.15Å; W30-I33 PolarHBondContact O-N 3.14Å; R31-I33 VanDerWaalsContact C-N 3.32Å; I33-A208 HydrophobicContact CB-CB 4.33Å; I33-A208 HydrophobicContact CG2-CB 3.88Å
34L94.8Very high90.7Very high14 Ų1472.9 Ų72.97%0.07338%0.379CS..THydrogen-bonded Turntrans-10638.2-176.9-60.9179.8000112.4W30 R31 E32 L36 A208 T209 M516 C521 I525W30-L34 HydrophobicContact CE3-CD1 4.23Å; W30-L34 PolarHBondContact O-N 3.18Å; R31-L34 CarbonylContact O-C 3.28Å; E32-L34 PolarHBondContact O-N 2.91Å; L34-L36 PolarHBondContact O-N 3.05Å; L34-A208 HydrophobicContact CD1-CB 3.88Å; L34-A208 HydrophobicContact CD2-CB 4.1Å; L34-A208 HydrophobicContact CG-CB 3.84Å; L34-T209 HydrophobicContact CD1-CG2 4.38Å; L34-M516 HydrophobicContact CD1-SD 3.94Å; L34-M516 HydrophobicContact CD2-CE 4.42Å; L34-M516 HydrophobicContact CD2-SD 4.46Å; L34-C521 HydrophobicContact CD1-CB 4.09Å; L34-I525 HydrophobicContact CB-CD1 3.61Å; L34-I525 HydrophobicContact CD1-CD1 4.22Å; L34-I525 WeakPolarHBondContact O-CD1 3.35Å
35T94.1Very high92Very high79 Ų7969.9 Ų69.949%0.48536%0.357SS..PPolyproline II helixtrans-73.9121.8177.3-54.80000109.7R31 E32 L177R31-T35 PolarHBondContact O-N 2.71Å; R31-T35 PolarHBondContact O-OG1 2.58Å; E32-T35 PolarHBondContact O-OG1 3.17Å; T35-L177 WeakPolarHBondContact O-CD2 3.42Å
36L94.3Very high92.6Very high14 Ų1472 Ų727%0.07336%0.361CS..PPolyproline II helixtrans-65136175.1-69.1170.8000110.1L34 Q173 W174 L177 I525 E529L34-L36 PolarHBondContact O-N 3.05Å; L36-Q173 HydrophobicContact CB-CB 4.28Å; L36-Q173 HydrophobicContact CD2-CB 3.77Å; L36-Q173 HydrophobicContact CG-CB 4.45Å; L36-W174 HydrophobicContact CD2-CD2 4.06Å; L36-W174 HydrophobicContact CD2-CG 4.24Å; L36-W174 HydrophobicContact CD2-CZ2 4.49Å; L36-L177 HydrophobicContact CD2-CD1 3.48Å; L36-L177 VanDerWaalsContact CD2-CD1 3.48Å; L36-L177 HydrophobicContact CD2-CG 4.25Å; L36-L177 HydrophobicContact CG-CD1 4.24Å; L36-I525 HydrophobicContact CD1-CG2 3.53Å; L36-I525 HydrophobicContact CG-CG2 3.84Å; L36-E529 HydrophobicContact CD1-CG 3.99Å
37P94.7Very high92.5Very high6 Ų677.4 Ų77.44%0.03939%0.387CS..PPolyproline II helixtrans-71.5157.7178.133.4-39.9000110.9Q41 Q173 W176P37-Q41 HydrophobicContact CB-CB 4.22Å; P37-Q173 HydrophobicContact CG-CB 4.26Å; P37-Q173 HydrophobicContact CG-CG 4.36Å; P37-Q173 PolarHBondContact O-NE2 2.72Å; P37-W176 HydrophobicContact CB-CD2 3.9Å; P37-W176 HydrophobicContact CB-CE3 3.89Å; P37-W176 HydrophobicContact CB-CG 4.37Å; P37-W176 HydrophobicContact CB-CZ3 4.2Å; P37-W176 HydrophobicContact CG-CB 3.87Å; P37-W176 HydrophobicContact CG-CD2 3.59Å; P37-W176 HydrophobicContact CG-CE3 3.56Å; P37-W176 HydrophobicContact CG-CG 3.73Å; P37-W176 HydrophobicContact CG-CZ3 4.32Å
38P93.1Very high92.5Very high71 Ų7179.9 Ų79.946%0.46141%0.405SS..PPolyproline II helixtrans-55.2144.2165.5-22.933000111.7S40 Q41P38-S40 PolarHBondContact O-N 2.94Å; P38-S40 VanDerWaalsContact O-N 3.09Å; P38-Q41 WeakPolarHBondContact O-CB 3.47Å; P38-Q41 PolarHBondContact O-N 2.81Å
39V91.6Very high92.6Very high77 Ų7770.1 Ų70.147%0.46736%0.363SS..G310 helixtrans-55.9-31.9-179.2177.60000112.3Q41 C42V39-Q41 PolarHBondContact O-N 3.46Å; V39-C42 WeakPolarHBondContact O-CB 3.17Å; V39-C42 PolarHBondContact O-N 2.87Å
40S91.1Very high92.4Very high93 Ų9368.9 Ų68.965%0.6536%0.359SS*.G310 helixtrans-61.1-28176.354.30000113.8P38 C42 S43P38-S40 PolarHBondContact O-N 2.94Å; P38-S40 VanDerWaalsContact O-N 3.09Å; S40-C42 PolarHBondContact O-N 2.71Å; S40-S43 PolarHBondContact O-OG 2.82Å
41Q92.6Very high92.1Very high101 Ų10174.2 Ų74.247%0.47238%0.379SS..G310 helixtrans-79-8.2175.9-62.9-1763.300112.9P37 P38 V39P37-Q41 HydrophobicContact CB-CB 4.22Å; P38-Q41 WeakPolarHBondContact O-CB 3.47Å; P38-Q41 PolarHBondContact O-N 2.81Å; V39-Q41 PolarHBondContact O-N 3.46Å
42C93.9Very high92.3Very high3 Ų373.5 Ų73.52%0.0238%0.381CS..G310 helixtrans-97.64.5178-59.10000113.1V39 S40 E44 L45 R46 L172V39-C42 WeakPolarHBondContact O-CB 3.17Å; V39-C42 PolarHBondContact O-N 2.87Å; S40-C42 PolarHBondContact O-N 2.71Å; C42-E44 PolarHBondContact O-N 3.3Å; C42-L45 PolarHBondContact O-N 3.01Å; C42-R46 PolarHBondContact O-N 2.51Å; C42-L172 HydrophobicContact CB-CB 3.95Å
43S90Very high92.4Very high60 Ų6068.3 Ų68.342%0.4236%0.356SS..Hα-helixtrans-58.1-48.3-177.656.10000112.3S40 L45 R46 H47S40-S43 PolarHBondContact O-OG 2.82Å; S43-L45 VanDerWaalsContact C-N 3.31Å; S43-L45 PolarHBondContact O-N 3.32Å; S43-R46 VanDerWaalsContact O-CB 3.32Å; S43-R46 WeakPolarHBondContact O-CB 3.44Å; S43-R46 PolarHBondContact O-N 2.84Å; S43-R46 VanDerWaalsContact O-N 3.11Å; S43-H47 PolarHBondContact O-CD2 3.36Å; S43-H47 PolarHBondContact O-N 3.14Å
44E91.3Very high92.4Very high155 Ų15567 Ų6772%0.72435%0.35SS*.Hα-helixtrans-61.7-38.4176.7-66.2-177176.800112.3C42 R46 H47 S48C42-E44 PolarHBondContact O-N 3.3Å; E44-R46 VanDerWaalsContact C-N 3.34Å; E44-H47 PolarHBondContact O-N 3.02Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.94Å; E44-S48 PolarHBondContact O-OG 3.05Å
45L92.6Very high92.4Very high15 Ų1567.1 Ų67.18%0.07935%0.352CS..Hα-helixtrans-65-38.5174.9-80.386.8000111.4C42 S43 H47 S48 I49 L172 K175 W176C42-L45 PolarHBondContact O-N 3.01Å; S43-L45 VanDerWaalsContact C-N 3.31Å; S43-L45 PolarHBondContact O-N 3.32Å; L45-H47 PolarHBondContact O-N 3.19Å; L45-S48 WeakPolarHBondContact CA-OG 3.44Å; L45-S48 PolarHBondContact O-N 3.43Å; L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CG2 3.32Å; L45-I49 PolarHBondContact O-N 3.33Å; L45-L172 HydrophobicContact CB-CD2 4.44Å; L45-K175 HydrophobicContact CD2-CB 4Å; L45-W176 HydrophobicContact CD2-CB 4.13Å
46R92.3Very high92.4Very high56 Ų5663.4 Ų63.421%0.21133%0.329CS..Hα-helixtrans-59.1-32.7177.9-167.1173.8-177.4111.51.5112.4C42 S43 E44 R51 Q163 E164 L172C42-R46 PolarHBondContact O-N 2.51Å; S43-R46 VanDerWaalsContact O-CB 3.32Å; S43-R46 WeakPolarHBondContact O-CB 3.44Å; S43-R46 PolarHBondContact O-N 2.84Å; S43-R46 VanDerWaalsContact O-N 3.11Å; E44-R46 VanDerWaalsContact C-N 3.34Å; R46-R51 PolarHBondContact O-NH2 3.14Å; R46-Q163 PolarHBondContact NH2-O 3.31Å; R46-E164 IonicContact NH2-OE1 3.35Å; R46-E164 PolarHBondContact NH2-OE1 3.2Å; R46-E164 IonicContact NH2-OE2 2.96Å; R46-E164 PolarHBondContact NH2-OE2 2.99Å; R46-L172 HydrophobicContact CB-CD1 3.65Å; R46-L172 HydrophobicContact CG-CD1 3.83Å
47H89Confident92.5Very high150 Ų15062.9 Ų62.969%0.69433%0.327SS*.Hα-helixtrans-86.3-32178.5-64.6-63.4000113.5S43 E44 L45S43-H47 PolarHBondContact O-CD2 3.36Å; S43-H47 PolarHBondContact O-N 3.14Å; E44-H47 PolarHBondContact O-N 3.02Å; L45-H47 PolarHBondContact O-N 3.19Å
48S91.7Very high92.4Very high77 Ų7765.6 Ų65.654%0.53834%0.341SS..Hα-helixtrans-96.5-13.9-173.859.10000115.1E44 L45E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.94Å; E44-S48 PolarHBondContact O-OG 3.05Å; L45-S48 WeakPolarHBondContact CA-OG 3.44Å; L45-S48 PolarHBondContact O-N 3.43Å
49I92.3Very high92.4Very high11 Ų1167.3 Ų67.36%0.05634%0.341CS..SBendtrans-71.1141.1179.7-161.7163.4000111.1L45 L56 F168 F171 L172 K175L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CG2 3.32Å; L45-I49 PolarHBondContact O-N 3.33Å; I49-L56 HydrophobicContact CD1-CD2 4.26Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; I49-F168 HydrophobicContact CG2-CZ 4.17Å; I49-F171 HydrophobicContact CD1-CD1 4.41Å; I49-F171 HydrophobicContact CD1-CE1 3.58Å; I49-F171 HydrophobicContact CD1-CZ 4.35Å; I49-L172 HydrophobicContact CD1-CD2 3.94Å; I49-L172 HydrophobicContact CG2-CD2 4.16Å; I49-K175 HydrophobicContact CD1-CG 4.08Å
50E88.9Confident92.6Very high100 Ų10064 Ų6447%0.46732%0.321SS..  trans-57144.3170.468.7-170.3170.100110.3S55 L56E50-S55 VanDerWaalsContact OE1-CB 3.26Å; E50-S55 WeakPolarHBondContact OE1-CB 3.17Å; E50-S55 PolarHBondContact OE1-OG 2.97Å; E50-L56 HydrophobicContact CG-CD2 3.98Å; E50-L56 WeakPolarHBondContact O-CD1 3.38Å
51R87.9Confident92.9Very high142 Ų14260.5 Ų60.554%0.53630%0.295SS..  trans-111.639.7-178.4-62.7-172.8178.8-157.9-3.2111.5R46 F159R46-R51 PolarHBondContact O-NH2 3.14Å; R51-F159 WeakPolarHBondContact O-CE1 3.32Å
52E94.8Very high93.2Very high104 Ų10455.8 Ų55.849%0.48627%0.273SS..  trans-95.1118.3179-165.7-170.9170.300110.7N54 S55 L56E52-N54 VanDerWaalsContact C-N 3.32Å; E52-N54 PolarHBondContact O-N 2.85Å; E52-S55 PolarHBondContact O-N 3.1Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 3.07Å
53Y95.8Very high93.4Very high20 Ų2055.6 Ų55.68%0.07827%0.272CS..Hα-helixtrans-51.7-47.8179.2167.7-101000112.9S55 L56 C57 F67 H151 L154 R155 F159Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.48Å; Y53-L56 PolarHBondContact O-N 2.84Å; Y53-C57 HydrophobicContact CD2-CB 3.73Å; Y53-C57 HydrophobicContact CE2-CB 3.63Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.06Å; Y53-F67 HydrophobicContact CE2-CD1 4.42Å; Y53-F67 AromaticContact CE2-CE1 3.76Å; Y53-F67 HydrophobicContact CE2-CE1 3.76Å; Y53-F67 AromaticContact CE2-CZ 3.83Å; Y53-F67 HydrophobicContact CE2-CZ 3.83Å; Y53-H151 HydrophobicContact CE1-CB 4.33Å; Y53-H151 AromaticContact CE1-ND1 3.56Å; Y53-H151 AromaticContact CZ-ND1 3.97Å; Y53-H151 PolarHBondContact OH-ND1 2.62Å; Y53-L154 HydrophobicContact CE2-CB 3.99Å; Y53-L154 WeakPolarHBondContact OH-CB 3.35Å; Y53-R155 HydrophobicContact CD1-CB 3.56Å; Y53-R155 HydrophobicContact CD2-CB 4.14Å; Y53-R155 HydrophobicContact CE1-CB 4.23Å; Y53-R155 HydrophobicContact CG-CB 3.49Å; Y53-R155 VanDerWaalsContact CG-CB 3.49Å; Y53-F159 HydrophobicContact CD2-CB 4.15Å; Y53-F159 AromaticContact CD2-CD2 3.92Å; Y53-F159 HydrophobicContact CD2-CD2 3.92Å; Y53-F159 HydrophobicContact CD2-CG 4.03Å
54N93.9Very high93.7Very high60 Ų6057.4 Ų57.432%0.32127%0.27SS..Iπ-helixtrans-61-43.1-178-172.5-14.2000111.2E52 D58 K59E52-N54 VanDerWaalsContact C-N 3.32Å; E52-N54 PolarHBondContact O-N 2.85Å; N54-D58 WeakPolarHBondContact O-CB 3.19Å; N54-D58 PolarHBondContact O-N 2.93Å; N54-K59 PolarHBondContact O-N 3.34Å; N54-K59 WeakPolarHBondContact OD1-CE 3.41Å; N54-K59 WeakPolarHBondContact OD1-CG 3.39Å
55S94.1Very high94Very high16 Ų1652.7 Ų52.711%0.11225%0.249CC..Iπ-helixtrans-65.3-52.2175.6-1760000112E50 E52 Y53 Q60E50-S55 VanDerWaalsContact OE1-CB 3.26Å; E50-S55 WeakPolarHBondContact OE1-CB 3.17Å; E50-S55 PolarHBondContact OE1-OG 2.97Å; E52-S55 PolarHBondContact O-N 3.1Å; Y53-S55 VanDerWaalsContact C-N 3.34Å; Y53-S55 PolarHBondContact O-N 3.48Å; S55-Q60 VanDerWaalsContact O-CB 3.29Å; S55-Q60 WeakPolarHBondContact O-CB 3.45Å; S55-Q60 WeakPolarHBondContact O-CG 3.23Å; S55-Q60 PolarHBondContact O-N 3.34Å; S55-Q60 PolarHBondContact O-NE2 3.44Å; S55-Q60 PolarHBondContact OG-NE2 3.15Å
56L95.3Very high94.3Very high0 Ų052 Ų520%025%0.245CC..Iπ-helixtrans-79.1-36.2-168.3-57.9-167000113.8I49 E50 E52 Y53 G63 F159 F168 F171I49-L56 HydrophobicContact CD1-CD2 4.26Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; E50-L56 HydrophobicContact CG-CD2 3.98Å; E50-L56 WeakPolarHBondContact O-CD1 3.38Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 3.07Å; Y53-L56 PolarHBondContact O-N 2.84Å; L56-G63 CarbonylContact O-C 3.59Å; L56-G63 VanDerWaalsContact O-C 3.28Å; L56-G63 WeakPolarHBondContact O-CA 3.46Å; L56-F159 HydrophobicContact CB-CE2 4.48Å; L56-F159 HydrophobicContact CD1-CE2 4.41Å; L56-F159 HydrophobicContact CD1-CZ 4.11Å; L56-F168 HydrophobicContact CD1-CE2 3.85Å; L56-F168 HydrophobicContact CD1-CZ 4.34Å; L56-F171 HydrophobicContact CD1-CE1 4.4Å; L56-F171 HydrophobicContact CD2-CE1 4Å; L56-F171 HydrophobicContact CD2-CZ 4.02Å
57C96.4Very high94.5Very high4 Ų449.4 Ų49.43%0.02724%0.236CC..Iπ-helixtrans-110.2-10.8-169-580000113.8Y53 R64 F67 F159Y53-C57 HydrophobicContact CD2-CB 3.73Å; Y53-C57 HydrophobicContact CE2-CB 3.63Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.06Å; C57-R64 WeakPolarHBondContact O-CA 3.33Å; C57-R64 VanDerWaalsContact O-CB 3.25Å; C57-R64 WeakPolarHBondContact O-CB 3.46Å; C57-R64 WeakPolarHBondContact O-CG 3.24Å; C57-F67 HydrophobicContact CB-CB 3.97Å; C57-F67 HydrophobicContact CB-CD1 3.81Å; C57-F67 HydrophobicContact CB-CD2 4.28Å; C57-F67 HydrophobicContact CB-CE1 4.38Å; C57-F67 HydrophobicContact CB-CG 3.75Å; C57-F159 VanDerWaalsContact SG-CD2 3.56Å; C57-F159 WeakPolarHBondContact SG-CE2 3.29Å
58D91.3Very high95Very high62 Ų6244.2 Ų44.233%0.33221%0.21SC..Iπ-helixtrans-117.8-64.9179.9-169.426.6000111.5N54 Q60 R64N54-D58 WeakPolarHBondContact O-CB 3.19Å; N54-D58 PolarHBondContact O-N 2.93Å; D58-Q60 PolarHBondContact O-N 2.86Å; D58-R64 WeakPolarHBondContact O-CD 3.26Å
59K93.3Very high95.2Very high107 Ų10742.9 Ų42.947%0.46520%0.195SC..Iπ-helixtrans-66.4-37.6-175.6-69.9178.5178.9178.10113.8N54 P61 I510N54-K59 PolarHBondContact O-N 3.34Å; N54-K59 WeakPolarHBondContact OD1-CE 3.41Å; N54-K59 WeakPolarHBondContact OD1-CG 3.39Å; K59-P61 WeakPolarHBondContact O-CD 3.17Å; K59-I510 HydrophobicContact CB-CD1 4.26Å
60Q96.4Very high95.4Very high9 Ų942.9 Ų42.94%0.04220%0.195CC..SBendtrans-86114.7-175.4-74.4-174.355.800112S55 D58 I62 G63 R64 I510 Q513S55-Q60 VanDerWaalsContact O-CB 3.29Å; S55-Q60 WeakPolarHBondContact O-CB 3.45Å; S55-Q60 WeakPolarHBondContact O-CG 3.23Å; S55-Q60 PolarHBondContact O-N 3.34Å; S55-Q60 PolarHBondContact O-NE2 3.44Å; S55-Q60 PolarHBondContact OG-NE2 3.15Å; D58-Q60 PolarHBondContact O-N 2.86Å; Q60-I62 PolarHBondContact O-N 2.64Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.1Å; Q60-R64 WeakPolarHBondContact O-CB 3.49Å; Q60-R64 PolarHBondContact O-N 2.87Å; Q60-I510 HydrophobicContact CG-CG1 4.36Å; Q60-Q513 VanDerWaalsContact C-OE1 3.31Å
61P97.4Very high95.8Very high19 Ų1938.1 Ų38.112%0.12317%0.173CC..Hα-helixtrans-57.4-45-169.9-27.133.3000115.3K59 L65 I510 Q513 N514 I517K59-P61 WeakPolarHBondContact O-CD 3.17Å; P61-L65 WeakPolarHBondContact O-CG 3.27Å; P61-L65 PolarHBondContact O-N 3.46Å; P61-I510 HydrophobicContact CG-CG2 4.17Å; P61-Q513 HydrophobicContact CB-CB 4.05Å; P61-Q513 HydrophobicContact CG-CB 4.04Å; P61-Q513 VanDerWaalsContact N-OE1 3.15Å; P61-N514 WeakPolarHBondContact CB-OD1 3.48Å; P61-N514 WeakPolarHBondContact CG-OD1 3.38Å; P61-I517 HydrophobicContact CB-CD1 3.46Å; P61-I517 VanDerWaalsContact CB-CD1 3.46Å
62I98.3Very high96.2Very high1 Ų135.4 Ų35.41%0.00517%0.169CC..Hα-helixtrans-69.8-40.3178.5-73.2179.5000110.3Q60 L65 L66 F171 W174 W512 Q513 M516 I517 F522Q60-I62 PolarHBondContact O-N 2.64Å; I62-L65 PolarHBondContact O-N 3.36Å; I62-L66 HydrophobicContact CG2-CD1 3.7Å; I62-L66 HydrophobicContact CG2-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.07Å; I62-F171 HydrophobicContact CG2-CD2 4.35Å; I62-W174 HydrophobicContact CD1-CB 4.46Å; I62-W174 HydrophobicContact CD1-CD2 3.94Å; I62-W174 HydrophobicContact CD1-CE3 3.77Å; I62-W174 HydrophobicContact CD1-CG 4.23Å; I62-W174 HydrophobicContact CD1-CZ3 4.37Å; I62-W174 HydrophobicContact CG2-CB 4.1Å; I62-W174 HydrophobicContact CG2-CG 3.98Å; I62-W512 HydrophobicContact CD1-CZ3 4.2Å; I62-Q513 HydrophobicContact CB-CB 4.36Å; I62-Q513 HydrophobicContact CB-CG 4.1Å; I62-Q513 HydrophobicContact CD1-CB 4.12Å; I62-Q513 HydrophobicContact CD1-CG 3.9Å; I62-Q513 HydrophobicContact CG1-CB 3.9Å; I62-Q513 HydrophobicContact CG1-CG 3.97Å; I62-M516 HydrophobicContact CD1-CB 4.08Å; I62-I517 HydrophobicContact CG1-CD1 4.02Å; I62-I517 HydrophobicContact CG1-CG1 4.13Å; I62-F522 HydrophobicContact CB-CE2 4.4Å; I62-F522 HydrophobicContact CD1-CD2 3.92Å; I62-F522 HydrophobicContact CD1-CE2 4.42Å; I62-F522 HydrophobicContact CG1-CD2 3.94Å; I62-F522 HydrophobicContact CG1-CE2 4.17Å; I62-F522 HydrophobicContact CG2-CD2 4.16Å; I62-F522 HydrophobicContact CG2-CE2 3.61Å; I62-F522 HydrophobicContact CG2-CZ 4.38Å
63G97.7Very high96.2Very high0 Ų034.1 Ų34.10%017%0.169CC..Hα-helixtrans-63.6-44177.700000112.3L56 Q60 L65 L66 F67L56-G63 CarbonylContact O-C 3.59Å; L56-G63 VanDerWaalsContact O-C 3.28Å; L56-G63 WeakPolarHBondContact O-CA 3.46Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.1Å; G63-L65 PolarHBondContact O-N 2.71Å; G63-L66 PolarHBondContact O-N 3.24Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å
64R97.6Very high96.2Very high97 Ų9736 Ų3637%0.36618%0.177SC..Hα-helixtrans-57.6-44.5171.3-178.6172.9176.3-106.1-0.3112.5C57 D58 Q60 R68C57-R64 WeakPolarHBondContact O-CA 3.33Å; C57-R64 VanDerWaalsContact O-CB 3.25Å; C57-R64 WeakPolarHBondContact O-CB 3.46Å; C57-R64 WeakPolarHBondContact O-CG 3.24Å; D58-R64 WeakPolarHBondContact O-CD 3.26Å; Q60-R64 WeakPolarHBondContact O-CB 3.49Å; Q60-R64 PolarHBondContact O-N 2.87Å; R64-R68 WeakPolarHBondContact O-CB 3.27Å; R64-R68 VanDerWaalsContact O-CG 3.25Å; R64-R68 WeakPolarHBondContact O-CG 3.14Å; R64-R68 PolarHBondContact O-N 2.92Å
65L97.6Very high96.1Very high56 Ų5638.4 Ų38.429%0.29320%0.196SC..Hα-helixtrans-64.4-42.9177.3-75.1177.2000112.5P61 I62 G63 R68 Q69 I517 F522P61-L65 WeakPolarHBondContact O-CG 3.27Å; P61-L65 PolarHBondContact O-N 3.46Å; I62-L65 PolarHBondContact O-N 3.36Å; G63-L65 PolarHBondContact O-N 2.71Å; L65-R68 PolarHBondContact O-N 3.06Å; L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.41Å; L65-Q69 PolarHBondContact O-N 3.49Å; L65-I517 HydrophobicContact CD1-CD1 3.5Å; L65-I517 VanDerWaalsContact CD1-CD1 3.5Å; L65-I517 HydrophobicContact CD1-CG1 3.76Å; L65-I517 HydrophobicContact CD1-CG2 4.32Å; L65-I517 HydrophobicContact CG-CD1 4.48Å; L65-F522 HydrophobicContact CB-CE1 4.39Å; L65-F522 HydrophobicContact CB-CZ 4.44Å; L65-F522 HydrophobicContact CD1-CD1 4.22Å; L65-F522 HydrophobicContact CD1-CE1 3.93Å
66L97.8Very high95.9Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-71.3-38179.9-71.2171000112I62 G63 Q69 F70 Y167 Q170 F171 F522I62-L66 HydrophobicContact CG2-CD1 3.7Å; I62-L66 HydrophobicContact CG2-CG 4.3Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.07Å; G63-L66 PolarHBondContact O-N 3.24Å; L66-Q69 PolarHBondContact O-N 3.33Å; L66-F70 PolarHBondContact O-N 3.03Å; L66-Y167 HydrophobicContact CD2-CD1 4.5Å; L66-Q170 HydrophobicContact CD1-CG 4.34Å; L66-Q170 HydrophobicContact CD2-CG 4.2Å; L66-F171 HydrophobicContact CD1-CB 3.63Å; L66-F171 HydrophobicContact CD1-CD2 4.36Å; L66-F522 HydrophobicContact CD2-CE2 4.45Å; L66-F522 HydrophobicContact CD2-CZ 4.02Å; L66-F522 HydrophobicContact CG-CE2 4.42Å; L66-F522 HydrophobicContact CG-CZ 4.13Å
67F98.1Very high95.9Very high2 Ų242 Ų421%0.00922%0.217CC..Hα-helixtrans-62.3-44.4172.8-177.2-112.2000111.3Y53 C57 G63 Q69 F70 C71 L154 Y162Y53-F67 HydrophobicContact CE2-CD1 4.42Å; Y53-F67 AromaticContact CE2-CE1 3.76Å; Y53-F67 HydrophobicContact CE2-CE1 3.76Å; Y53-F67 AromaticContact CE2-CZ 3.83Å; Y53-F67 HydrophobicContact CE2-CZ 3.83Å; C57-F67 HydrophobicContact CB-CB 3.97Å; C57-F67 HydrophobicContact CB-CD1 3.81Å; C57-F67 HydrophobicContact CB-CD2 4.28Å; C57-F67 HydrophobicContact CB-CE1 4.38Å; C57-F67 HydrophobicContact CB-CG 3.75Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å; F67-Q69 PolarHBondContact O-N 2.98Å; F67-F70 HydrophobicContact CD2-CD1 4.31Å; F67-F70 HydrophobicContact CE2-CD1 4.26Å; F67-F70 WeakPolarHBondContact O-CA 3.25Å; F67-F70 VanDerWaalsContact O-CB 3.32Å; F67-F70 WeakPolarHBondContact O-CB 3.49Å; F67-F70 PolarHBondContact O-N 3.14Å; F67-F70 VanDerWaalsContact O-N 3.14Å; F67-C71 PolarHBondContact O-N 3.18Å; F67-C71 PolarHBondContact O-SG 2.99Å; F67-L154 HydrophobicContact CZ-CB 4.38Å; F67-L154 HydrophobicContact CZ-CD2 4.4Å; F67-Y162 HydrophobicContact CB-CE2 4.31Å; F67-Y162 AromaticContact CD2-CD1 3.8Å; F67-Y162 HydrophobicContact CD2-CD1 3.8Å; F67-Y162 AromaticContact CD2-CD2 3.91Å; F67-Y162 HydrophobicContact CD2-CD2 3.91Å; F67-Y162 HydrophobicContact CD2-CE1 4.28Å; F67-Y162 HydrophobicContact CD2-CE2 4.4Å; F67-Y162 AromaticContact CD2-CG 3.58Å; F67-Y162 HydrophobicContact CD2-CG 3.58Å; F67-Y162 HydrophobicContact CE2-CD1 4.44Å; F67-Y162 HydrophobicContact CE2-CG 4.15Å
68R97.5Very high95.8Very high41 Ų4145.7 Ų45.716%0.15523%0.232CC..Hα-helixtrans-62.3-42.8175-75.3173.7166.5-112.8-1.4112.7R64 L65 F70 C71 D72 I81 D85R64-R68 WeakPolarHBondContact O-CB 3.27Å; R64-R68 VanDerWaalsContact O-CG 3.25Å; R64-R68 WeakPolarHBondContact O-CG 3.14Å; R64-R68 PolarHBondContact O-N 2.92Å; L65-R68 PolarHBondContact O-N 3.06Å; R68-F70 PolarHBondContact O-N 3.16Å; R68-C71 WeakPolarHBondContact O-CB 3.49Å; R68-C71 PolarHBondContact O-N 2.9Å; R68-C71 VanDerWaalsContact O-N 3.11Å; R68-D72 VanDerWaalsContact O-CG 3.27Å; R68-D72 PolarHBondContact O-N 3.26Å; R68-I81 HydrophobicContact CG-CD1 4.25Å; R68-I81 HydrophobicContact CG-CG1 4.49Å; R68-I81 HydrophobicContact CG-CG2 4.02Å; R68-I81 VanDerWaalsContact NH1-CG2 3.26Å; R68-D85 IonicContact CZ-OD1 2.93Å; R68-D85 IonicContact CZ-OD2 2.9Å; R68-D85 IonicContact NH1-OD1 3.94Å; R68-D85 PolarHBondContact NH1-OD1 2.9Å; R68-D85 IonicContact NH1-OD2 2.75Å; R68-D85 PolarHBondContact NH1-OD2 3.32Å; R68-D85 IonicContact NH2-OD1 2.82Å; R68-D85 PolarHBondContact NH2-OD1 3.33Å
69Q96.5Very high95.9Very high49 Ų4944.9 Ų44.923%0.22923%0.225CC..Hα-helixtrans-60.9-34.9173.8-74.4171.713.700112.5L65 L66 F67 Y167L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.41Å; L65-Q69 PolarHBondContact O-N 3.49Å; L66-Q69 PolarHBondContact O-N 3.33Å; F67-Q69 PolarHBondContact O-N 2.98Å; Q69-Y167 HydrophobicContact CB-CD1 4.02Å; Q69-Y167 HydrophobicContact CB-CE1 3.73Å
70F97.4Very high95.9Very high11 Ų1139.9 Ų39.95%0.04820%0.203CC..Hα-helixtrans-65.9-48.6170.8163.7-99000111.4L66 F67 R68 D72 T73 K74 L77 P158 E161 Y162 Y167L66-F70 PolarHBondContact O-N 3.03Å; F67-F70 HydrophobicContact CD2-CD1 4.31Å; F67-F70 HydrophobicContact CE2-CD1 4.26Å; F67-F70 WeakPolarHBondContact O-CA 3.25Å; F67-F70 VanDerWaalsContact O-CB 3.32Å; F67-F70 WeakPolarHBondContact O-CB 3.49Å; F67-F70 PolarHBondContact O-N 3.14Å; F67-F70 VanDerWaalsContact O-N 3.14Å; R68-F70 PolarHBondContact O-N 3.16Å; F70-D72 VanDerWaalsContact C-N 3.27Å; F70-D72 PolarHBondContact O-N 3.03Å; F70-T73 WeakPolarHBondContact O-CB 3.25Å; F70-T73 PolarHBondContact O-N 3.33Å; F70-T73 PolarHBondContact O-OG1 3.46Å; F70-K74 HydrophobicContact CZ-CD 4.47Å; F70-L77 HydrophobicContact CD1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CD1 3.71Å; F70-L77 HydrophobicContact CZ-CD1 4.34Å; F70-P158 WeakPolarHBondContact CE1-O 3.43Å; F70-E161 HydrophobicContact CZ-CB 3.8Å; F70-Y162 HydrophobicContact CB-CD2 3.88Å; F70-Y162 HydrophobicContact CB-CE2 4.46Å; F70-Y162 HydrophobicContact CD1-CD2 4.13Å; F70-Y162 HydrophobicContact CD1-CG 4.4Å; F70-Y162 AromaticContact CG-CD2 3.95Å; F70-Y162 HydrophobicContact CG-CD2 3.95Å; F70-Y167 HydrophobicContact CB-CD2 3.72Å; F70-Y167 HydrophobicContact CB-CE2 4.2Å; F70-Y167 HydrophobicContact CB-CG 3.97Å; F70-Y167 HydrophobicContact CD2-CD2 4.02Å; F70-Y167 HydrophobicContact CD2-CE2 4.43Å; F70-Y167 HydrophobicContact CG-CD2 4.38Å
71C96.9Very high95.9Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-58.7-37.1177.6-65.90000112.6F67 R68 T73 K74 L77 K78 I81F67-C71 PolarHBondContact O-N 3.18Å; F67-C71 PolarHBondContact O-SG 2.99Å; R68-C71 WeakPolarHBondContact O-CB 3.49Å; R68-C71 PolarHBondContact O-N 2.9Å; R68-C71 VanDerWaalsContact O-N 3.11Å; C71-T73 PolarHBondContact O-N 2.89Å; C71-T73 VanDerWaalsContact O-N 3.1Å; C71-K74 CarbonylContact O-C 3.58Å; C71-K74 PolarHBondContact O-N 3.03Å; C71-L77 HydrophobicContact CB-CB 3.74Å; C71-K78 PolarHBondContact O-N 3.4Å; C71-I81 HydrophobicContact CB-CD1 4.44Å; C71-I81 HydrophobicContact CB-CG1 3.69Å
72D95.8Very high95.8Very high85 Ų8542.8 Ų42.846%0.45522%0.215SC..THydrogen-bonded Turntrans-59.5-22.7177.1-72.3-24.4000113.1R68 F70 K74R68-D72 VanDerWaalsContact O-CG 3.27Å; R68-D72 PolarHBondContact O-N 3.26Å; F70-D72 VanDerWaalsContact C-N 3.27Å; F70-D72 PolarHBondContact O-N 3.03Å; D72-K74 VanDerWaalsContact C-N 3.28Å; D72-K74 PolarHBondContact O-N 3.45Å
73T95.7Very high95.6Very high78 Ų7842.7 Ų42.748%0.47922%0.215SC..THydrogen-bonded Turntrans-76.3-14.7176.371.50000113.5F70 C71 Y167F70-T73 WeakPolarHBondContact O-CB 3.25Å; F70-T73 PolarHBondContact O-N 3.33Å; F70-T73 PolarHBondContact O-OG1 3.46Å; C71-T73 PolarHBondContact O-N 2.89Å; C71-T73 VanDerWaalsContact O-N 3.1Å; T73-Y167 HydrophobicContact CG2-CE2 4.15Å; T73-Y167 WeakPolarHBondContact CG2-OH 3.49Å
74K94.6Very high95.6Very high60 Ų6043.6 Ų43.626%0.26122%0.219SC..SBendtrans-122.3113.8-177.1-58.2-167.7-173.9-172.20109.8F70 C71 D72 T76 L77 K78 E161F70-K74 HydrophobicContact CZ-CD 4.47Å; C71-K74 CarbonylContact O-C 3.58Å; C71-K74 PolarHBondContact O-N 3.03Å; D72-K74 VanDerWaalsContact C-N 3.28Å; D72-K74 PolarHBondContact O-N 3.45Å; K74-T76 PolarHBondContact O-N 3.27Å; K74-T76 VanDerWaalsContact O-N 3.11Å; K74-L77 HydrophobicContact CB-CB 4.17Å; K74-L77 HydrophobicContact CB-CD1 4.16Å; K74-L77 HydrophobicContact CB-CG 3.99Å; K74-L77 HydrophobicContact CD-CD1 3.8Å; K74-L77 HydrophobicContact CD-CG 4.3Å; K74-L77 HydrophobicContact CG-CD1 4.36Å; K74-L77 PolarHBondContact O-N 3.49Å; K74-K78 PolarHBondContact O-N 3.29Å; K74-E161 IonicContact NZ-OE1 3.54Å; K74-E161 PolarHBondContact NZ-OE1 3.36Å; K74-E161 IonicContact NZ-OE2 3.45Å; K74-E161 PolarHBondContact NZ-OE2 2.99Å
75P91.9Very high95.4Very high110 Ų11041.7 Ų41.771%0.71422%0.216SC*.Hα-helixtrans-51.5-40.5-175.9-29.935.6000114.4R79P75-R79 PolarHBondContact O-N 3.37Å; P75-R79 VanDerWaalsContact O-N 3.16Å
76T91Very high95.4Very high85 Ų8539.7 Ų39.752%0.52121%0.208SC..Hα-helixtrans-62.8-47.9177.3-49.50000112.1K74 R79 H80K74-T76 PolarHBondContact O-N 3.27Å; K74-T76 VanDerWaalsContact O-N 3.11Å; T76-R79 PolarHBondContact O-N 3.48Å; T76-H80 PolarHBondContact O-N 2.85Å; T76-H80 PolarHBondContact O-ND1 3.15Å
77L94.1Very high95.2Very high5 Ų539.8 Ų39.83%0.02621%0.209CC..Hα-helixtrans-69.4-39.2-179.7-59.5-172.2000111.5F70 C71 K74 R79 H80 I81 Y153 L154 P158F70-L77 HydrophobicContact CD1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CD1 3.71Å; F70-L77 HydrophobicContact CZ-CD1 4.34Å; C71-L77 HydrophobicContact CB-CB 3.74Å; K74-L77 HydrophobicContact CB-CB 4.17Å; K74-L77 HydrophobicContact CB-CD1 4.16Å; K74-L77 HydrophobicContact CB-CG 3.99Å; K74-L77 HydrophobicContact CD-CD1 3.8Å; K74-L77 HydrophobicContact CD-CG 4.3Å; K74-L77 HydrophobicContact CG-CD1 4.36Å; K74-L77 PolarHBondContact O-N 3.49Å; L77-R79 PolarHBondContact O-N 3.47Å; L77-H80 WeakPolarHBondContact O-CB 3.28Å; L77-H80 PolarHBondContact O-N 3.37Å; L77-H80 VanDerWaalsContact O-N 3.09Å; L77-I81 PolarHBondContact O-N 3.44Å; L77-I81 VanDerWaalsContact O-N 3.14Å; L77-Y153 HydrophobicContact CD2-CE1 3.85Å; L77-L154 HydrophobicContact CD2-CD2 4.31Å; L77-P158 HydrophobicContact CD1-CB 4.03Å; L77-P158 HydrophobicContact CD2-CB 3.77Å; L77-P158 HydrophobicContact CD2-CG 3.68Å
78K94.4Very high94.9Very high82 Ų8242 Ų4236%0.35723%0.228SC..Hα-helixtrans-54.3-44175.2-169.6-175.4-176.9-128.10111.6C71 K74 H80 I81 E82C71-K78 PolarHBondContact O-N 3.4Å; K74-K78 PolarHBondContact O-N 3.29Å; K78-H80 VanDerWaalsContact C-N 3.31Å; K78-H80 PolarHBondContact O-N 3.5Å; K78-I81 PolarHBondContact O-N 2.91Å; K78-I81 VanDerWaalsContact O-N 3.11Å; K78-E82 WeakPolarHBondContact CE-OE1 3.43Å; K78-E82 HydrophobicContact CG-CG 4.45Å; K78-E82 IonicContact NZ-OE1 2.83Å; K78-E82 PolarHBondContact NZ-OE1 3.07Å; K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 3.43Å
79R92.9Very high94.7Very high45 Ų4544.4 Ų44.417%0.1724%0.243CC..Hα-helixtrans-61-36.4178.1-168176.4173.373.71.9113P75 T76 L77 F83 I108 F109 A115 A116 L118P75-R79 PolarHBondContact O-N 3.37Å; P75-R79 VanDerWaalsContact O-N 3.16Å; T76-R79 PolarHBondContact O-N 3.48Å; L77-R79 PolarHBondContact O-N 3.47Å; R79-F83 WeakPolarHBondContact O-CB 3.49Å; R79-F83 PolarHBondContact O-N 2.86Å; R79-I108 PolarHBondContact NH2-O 2.93Å; R79-F109 HydrophobicContact CG-CD1 4.25Å; R79-F109 HydrophobicContact CG-CE1 4.33Å; R79-F109 PolarHBondContact NH2-O 2.66Å; R79-A115 VanDerWaalsContact CZ-CB 3.44Å; R79-A116 PolarHBondContact NE-O 2.88Å; R79-A116 PolarHBondContact NH2-O 3.09Å; R79-L118 HydrophobicContact CB-CD2 4.38Å; R79-L118 HydrophobicContact CG-CD2 3.97Å
80H94.5Very high94.5Very high2 Ų242.1 Ų42.11%0.00923%0.233CC..Hα-helixtrans-66.1-40.9174.2-68.882.7000111.8T76 L77 K78 F83 L84 E120 T150 Y153 L154T76-H80 PolarHBondContact O-N 2.85Å; T76-H80 PolarHBondContact O-ND1 3.15Å; L77-H80 WeakPolarHBondContact O-CB 3.28Å; L77-H80 PolarHBondContact O-N 3.37Å; L77-H80 VanDerWaalsContact O-N 3.09Å; K78-H80 VanDerWaalsContact C-N 3.31Å; K78-H80 PolarHBondContact O-N 3.5Å; H80-F83 PolarHBondContact O-N 3.3Å; H80-L84 WeakPolarHBondContact O-CG 3.32Å; H80-L84 PolarHBondContact O-N 2.89Å; H80-E120 IonicContact CE1-OE2 3.14Å; H80-E120 IonicContact NE2-OE2 3.27Å; H80-E120 PolarHBondContact NE2-OE2 3.29Å; H80-E120 VanDerWaalsContact NE2-OE2 3.17Å; H80-T150 HydrophobicContact CB-CG2 4.12Å; H80-Y153 AromaticContact CD2-CD1 3.67Å; H80-Y153 AromaticContact CE1-CD1 3.78Å; H80-Y153 AromaticContact CE1-CE1 3.38Å; H80-Y153 WeakPolarHBondContact CE1-CE1 3.15Å; H80-Y153 AromaticContact ND1-CE1 3.87Å; H80-Y153 AromaticContact NE2-CD1 3.36Å; H80-Y153 WeakPolarHBondContact NE2-CD1 3.21Å; H80-Y153 AromaticContact NE2-CE1 3.48Å; H80-Y153 WeakPolarHBondContact NE2-CE1 3.21Å; H80-L154 HydrophobicContact CB-CD1 4.49Å; H80-L154 HydrophobicContact CB-CD2 4.2Å
81I95.6Very high94.2Very high9 Ų945.3 Ų45.35%0.04625%0.248CC..Hα-helixtrans-65.8-44.2176.6-60.6-55000111R68 C71 L77 K78 F83 L84 D85 L154R68-I81 HydrophobicContact CG-CD1 4.25Å; R68-I81 HydrophobicContact CG-CG1 4.49Å; R68-I81 HydrophobicContact CG-CG2 4.02Å; R68-I81 VanDerWaalsContact NH1-CG2 3.26Å; C71-I81 HydrophobicContact CB-CD1 4.44Å; C71-I81 HydrophobicContact CB-CG1 3.69Å; L77-I81 PolarHBondContact O-N 3.44Å; L77-I81 VanDerWaalsContact O-N 3.14Å; K78-I81 PolarHBondContact O-N 2.91Å; K78-I81 VanDerWaalsContact O-N 3.11Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.26Å; I81-L84 PolarHBondContact O-N 2.87Å; I81-D85 PolarHBondContact O-N 3.28Å; I81-L154 HydrophobicContact CD1-CD1 4.17Å
82E95.2Very high93.8Very high80 Ų8046.8 Ų46.837%0.37426%0.257SS..Hα-helixtrans-60.6-37.5175.8-72171.2170.100111.7K78 D85 A86 F109K78-E82 WeakPolarHBondContact CE-OE1 3.43Å; K78-E82 HydrophobicContact CG-CG 4.45Å; K78-E82 IonicContact NZ-OE1 2.83Å; K78-E82 PolarHBondContact NZ-OE1 3.07Å; K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 3.43Å; E82-D85 PolarHBondContact O-N 2.94Å; E82-A86 PolarHBondContact O-N 3.17Å; E82-F109 HydrophobicContact CB-CE1 4.13Å; E82-F109 HydrophobicContact CB-CZ 4.13Å
83F95.7Very high93.4Very high0 Ų043.6 Ų43.60%024%0.242CC..Hα-helixtrans-63.1-49.4173.2171-108000112.2R79 H80 I81 D85 A86 V87 I105 F109 F110 L118 I121 C146 T150R79-F83 WeakPolarHBondContact O-CB 3.49Å; R79-F83 PolarHBondContact O-N 2.86Å; H80-F83 PolarHBondContact O-N 3.3Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.26Å; F83-D85 VanDerWaalsContact C-N 3.26Å; F83-D85 PolarHBondContact O-N 3.33Å; F83-A86 PolarHBondContact O-N 3.43Å; F83-V87 HydrophobicContact CD2-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 4.08Å; F83-V87 HydrophobicContact CE2-CG2 3.62Å; F83-V87 HydrophobicContact CZ-CG2 3.54Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.17Å; F83-I105 HydrophobicContact CD2-CG2 4.04Å; F83-I105 HydrophobicContact CE2-CG2 3.78Å; F83-F109 VanDerWaalsContact CA-CZ 3.47Å; F83-F109 HydrophobicContact CB-CD1 3.75Å; F83-F109 HydrophobicContact CB-CD2 4.45Å; F83-F109 HydrophobicContact CB-CE1 3.72Å; F83-F109 HydrophobicContact CB-CE2 4.43Å; F83-F109 HydrophobicContact CB-CG 4.13Å; F83-F109 HydrophobicContact CB-CZ 4.08Å; F83-F109 HydrophobicContact CD2-CB 4.07Å; F83-F109 HydrophobicContact CD2-CD1 4.28Å; F83-F109 AromaticContact CD2-CD2 3.81Å; F83-F109 HydrophobicContact CD2-CD2 3.81Å; F83-F109 HydrophobicContact CD2-CE2 4.33Å; F83-F109 AromaticContact CD2-CG 3.78Å; F83-F109 HydrophobicContact CD2-CG 3.78Å; F83-F109 HydrophobicContact CG-CD1 4.46Å; F83-F109 HydrophobicContact CG-CG 4.4Å; F83-F110 HydrophobicContact CD2-CE2 4.21Å; F83-F110 HydrophobicContact CD2-CZ 4.38Å; F83-F110 AromaticContact CE2-CE2 3.69Å; F83-F110 HydrophobicContact CE2-CE2 3.69Å; F83-F110 AromaticContact CE2-CZ 3.94Å; F83-F110 HydrophobicContact CE2-CZ 3.94Å; F83-F110 HydrophobicContact CZ-CE2 4.3Å; F83-F110 HydrophobicContact CZ-CZ 4.19Å; F83-L118 HydrophobicContact CB-CD1 3.86Å; F83-L118 HydrophobicContact CD1-CD1 3.94Å; F83-L118 HydrophobicContact CD2-CD1 4.39Å; F83-L118 HydrophobicContact CG-CD1 3.78Å; F83-I121 HydrophobicContact CE1-CD1 4.12Å; F83-I121 HydrophobicContact CZ-CD1 4.45Å; F83-C146 HydrophobicContact CE1-CB 4Å; F83-C146 HydrophobicContact CZ-CB 3.58Å; F83-T150 HydrophobicContact CD1-CG2 4.42Å
84L95.8Very high92.8Very high18 Ų1843.1 Ų43.19%0.09424%0.237CC..Hα-helixtrans-60.5-37.3178.5-69.1174.8000112.1H80 I81 V87 A88 T147 T150 L154H80-L84 WeakPolarHBondContact O-CG 3.32Å; H80-L84 PolarHBondContact O-N 2.89Å; I81-L84 PolarHBondContact O-N 2.87Å; L84-V87 PolarHBondContact O-N 3.47Å; L84-A88 PolarHBondContact O-N 3.23Å; L84-T147 HydrophobicContact CD2-CG2 3.91Å; L84-T150 HydrophobicContact CD1-CG2 3.91Å; L84-T150 HydrophobicContact CD2-CG2 3.77Å; L84-T150 HydrophobicContact CG-CG2 3.77Å; L84-L154 HydrophobicContact CD1-CD1 3.88Å
85D95.3Very high92.3Very high57 Ų5744 Ų4431%0.30525%0.245SC..Hα-helixtrans-66.9-43.8176.5-70.5-16.2000111.4R68 I81 E82 F83 V87 A88 D89R68-D85 IonicContact CZ-OD1 2.93Å; R68-D85 IonicContact CZ-OD2 2.9Å; R68-D85 IonicContact NH1-OD1 3.94Å; R68-D85 PolarHBondContact NH1-OD1 2.9Å; R68-D85 IonicContact NH1-OD2 2.75Å; R68-D85 PolarHBondContact NH1-OD2 3.32Å; R68-D85 IonicContact NH2-OD1 2.82Å; R68-D85 PolarHBondContact NH2-OD1 3.33Å; I81-D85 PolarHBondContact O-N 3.28Å; E82-D85 PolarHBondContact O-N 2.94Å; F83-D85 VanDerWaalsContact C-N 3.26Å; F83-D85 PolarHBondContact O-N 3.33Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 2.85Å; D85-A88 WeakPolarHBondContact O-CB 3.49Å; D85-A88 PolarHBondContact O-N 2.85Å; D85-D89 PolarHBondContact O-N 3.32Å
86A95.9Very high92Very high14 Ų1447.2 Ų47.212%0.11625%0.25CC..Hα-helixtrans-61.4-40.3175.900000112.3E82 F83 D89 Y90 Y101 I105 F109E82-A86 PolarHBondContact O-N 3.17Å; F83-A86 PolarHBondContact O-N 3.43Å; A86-D89 PolarHBondContact O-N 3.28Å; A86-Y90 PolarHBondContact O-N 3.15Å; A86-Y101 WeakPolarHBondContact O-CE1 3.4Å; A86-I105 HydrophobicContact CB-CD1 4.09Å; A86-I105 HydrophobicContact CB-CG1 4.05Å; A86-I105 WeakPolarHBondContact O-CD1 3.29Å; A86-F109 HydrophobicContact CB-CE2 3.86Å; A86-F109 HydrophobicContact CB-CZ 4.39Å
87V94.9Very high91.7Very high3 Ų347.3 Ų47.32%0.01825%0.247CC..Hα-helixtrans-65.1-41.21751740000111.4F83 L84 D85 D89 Y90 E91 F143F83-V87 HydrophobicContact CD2-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 4.08Å; F83-V87 HydrophobicContact CE2-CG2 3.62Å; F83-V87 HydrophobicContact CZ-CG2 3.54Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 3.47Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 2.85Å; V87-D89 VanDerWaalsContact C-N 3.28Å; V87-D89 PolarHBondContact O-N 3.06Å; V87-Y90 WeakPolarHBondContact O-CB 3.47Å; V87-Y90 PolarHBondContact O-N 3.49Å; V87-E91 PolarHBondContact O-N 2.91Å; V87-E91 VanDerWaalsContact O-N 3.1Å; V87-F143 HydrophobicContact CB-CB 4.46Å; V87-F143 HydrophobicContact CG1-CB 3.67Å; V87-F143 HydrophobicContact CG1-CD2 4.49Å; V87-F143 HydrophobicContact CG1-CG 4.36Å; V87-F143 HydrophobicContact CG2-CB 3.88Å; V87-F143 HydrophobicContact CG2-CD1 4.44Å; V87-F143 HydrophobicContact CG2-CD2 4.35Å; V87-F143 HydrophobicContact CG2-CG 3.99Å
88A91.8Very high91.5Very high49 Ų4947.3 Ų47.341%0.40525%0.247SC..Hα-helixtrans-60.8-39176.100000112L84 D85 Y90 E91L84-A88 PolarHBondContact O-N 3.23Å; D85-A88 WeakPolarHBondContact O-CB 3.49Å; D85-A88 PolarHBondContact O-N 2.85Å; A88-Y90 VanDerWaalsContact C-N 3.32Å; A88-E91 PolarHBondContact O-N 2.97Å
89D92.4Very high91.3Very high91 Ų9145 Ų4549%0.48724%0.241SC..Hα-helixtrans-66.8-33.4174.2-71-24.2000112.1D85 A86 V87 V92 A93 Y101D85-D89 PolarHBondContact O-N 3.32Å; A86-D89 PolarHBondContact O-N 3.28Å; V87-D89 VanDerWaalsContact C-N 3.28Å; V87-D89 PolarHBondContact O-N 3.06Å; D89-V92 VanDerWaalsContact O-CG2 3.25Å; D89-V92 WeakPolarHBondContact O-CG2 3.37Å; D89-V92 PolarHBondContact O-N 3.34Å; D89-A93 PolarHBondContact O-N 2.68Å; D89-A93 VanDerWaalsContact O-N 3.12Å; D89-Y101 HydrophobicContact CB-CE1 3.83Å; D89-Y101 VanDerWaalsContact CB-OH 3.24Å; D89-Y101 WeakPolarHBondContact CB-OH 3.39Å
90Y93.4Very high91.2Very high0 Ų048.5 Ų48.50%026%0.263CS..Hα-helixtrans-66.3-40.1177.4166.5-88.2000112A86 V87 A88 V92 A93 R98 Y101 I105 L133 S139 V142 F143A86-Y90 PolarHBondContact O-N 3.15Å; V87-Y90 WeakPolarHBondContact O-CB 3.47Å; V87-Y90 PolarHBondContact O-N 3.49Å; A88-Y90 VanDerWaalsContact C-N 3.32Å; Y90-V92 PolarHBondContact O-N 3.36Å; Y90-A93 WeakPolarHBondContact O-CB 3.49Å; Y90-A93 PolarHBondContact O-N 3.24Å; Y90-R98 HydrophobicContact CD2-CG 3.9Å; Y90-R98 HydrophobicContact CE1-CG 4.34Å; Y90-R98 HydrophobicContact CE2-CB 4.49Å; Y90-R98 HydrophobicContact CE2-CG 3.21Å; Y90-R98 VanDerWaalsContact CE2-O 3.29Å; Y90-R98 WeakPolarHBondContact CE2-O 3.1Å; Y90-R98 VanDerWaalsContact CZ-CG 3.46Å; Y90-R98 WeakPolarHBondContact OH-CD 3.28Å; Y90-Y101 HydrophobicContact CD2-CD1 4.17Å; Y90-Y101 HydrophobicContact CG-CD1 4.46Å; Y90-I105 HydrophobicContact CG-CD1 4.41Å; Y90-L133 HydrophobicContact CE2-CD2 3.63Å; Y90-L133 WeakPolarHBondContact OH-CD2 3.42Å; Y90-S139 PolarHBondContact OH-O 2.96Å; Y90-V142 HydrophobicContact CE1-CB 4.29Å; Y90-F143 AromaticContact CD1-CD2 3.78Å; Y90-F143 HydrophobicContact CD1-CD2 3.78Å; Y90-F143 HydrophobicContact CD1-CE2 4.07Å; Y90-F143 HydrophobicContact CD2-CD2 4.49Å; Y90-F143 AromaticContact CD2-CE2 3.96Å; Y90-F143 HydrophobicContact CD2-CE2 3.96Å; Y90-F143 AromaticContact CE1-CD2 3.92Å; Y90-F143 HydrophobicContact CE1-CD2 3.92Å; Y90-F143 HydrophobicContact CE1-CE2 4.16Å; Y90-F143 HydrophobicContact CE2-CE2 4.01Å; Y90-F143 HydrophobicContact CG-CD2 4.1Å; Y90-F143 AromaticContact CG-CE2 3.99Å; Y90-F143 HydrophobicContact CG-CE2 3.99Å
91E90.1Very high91.2Very high79 Ų7952 Ų5237%0.36928%0.277SS..Hα-helixtrans-62.8-24.6-178.9-70.6-177-176.100113.2V87 A88V87-E91 PolarHBondContact O-N 2.91Å; V87-E91 VanDerWaalsContact O-N 3.1Å; A88-E91 PolarHBondContact O-N 2.97Å
92V88.1Confident91.1Very high30 Ų3051.6 Ų51.618%0.18228%0.275CS..Hα-helixtrans-105.9-4.5-179.4-60.90000113.7D89 Y90 A459 M461D89-V92 VanDerWaalsContact O-CG2 3.25Å; D89-V92 WeakPolarHBondContact O-CG2 3.37Å; D89-V92 PolarHBondContact O-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.36Å; V92-A459 HydrophobicContact CG1-CB 3.72Å; V92-M461 HydrophobicContact CB-CE 3.89Å; V92-M461 HydrophobicContact CB-SD 3.83Å; V92-M461 HydrophobicContact CG1-CE 4.22Å; V92-M461 HydrophobicContact CG1-SD 4.42Å; V92-M461 HydrophobicContact CG2-CE 3.63Å; V92-M461 HydrophobicContact CG2-SD 4.1Å
93A87.4Confident91Very high19 Ų1950.7 Ų50.716%0.15727%0.272CS..SBendtrans-60.4149176.700000112D89 Y90 R98D89-A93 PolarHBondContact O-N 2.68Å; D89-A93 VanDerWaalsContact O-N 3.12Å; Y90-A93 WeakPolarHBondContact O-CB 3.49Å; Y90-A93 PolarHBondContact O-N 3.24Å; A93-R98 PolarHBondContact O-NH2 3.16Å
94N84.8Confident90.9Very high67 Ų6752.7 Ų52.736%0.35829%0.286SS..  trans-55150.9172-69.5-39.3000110.8E96 D97 R98 R456N94-E96 PolarHBondContact O-N 3.48Å; N94-D97 PolarHBondContact ND2-OD2 3.33Å; N94-D97 PolarHBondContact O-N 2.72Å; N94-R98 WeakPolarHBondContact O-CB 3.39Å; N94-R98 PolarHBondContact O-N 3.33Å; N94-R98 VanDerWaalsContact O-N 3.15Å; N94-R456 PolarHBondContact OD1-NH1 3.49Å
95D82.6Confident90.9Very high80 Ų8051.9 Ų51.943%0.42828%0.282SS..THydrogen-bonded Turntrans-60.4-36.9179.4-64.7-2.6000111.1R98D95-R98 IonicContact OD1-CZ 3.14Å; D95-R98 IonicContact OD1-NH1 2.71Å; D95-R98 PolarHBondContact OD1-NH1 3.3Å; D95-R98 IonicContact OD1-NH2 2.85Å; D95-R98 PolarHBondContact OD1-NH2 3.4Å
96E85.4Confident90.8Very high177 Ų17749.2 Ų49.283%0.82727%0.268SS*.THydrogen-bonded Turntrans-65.9-40.5179.8-63.6173.7-17300113.3N94N94-E96 PolarHBondContact O-N 3.48Å
97D86.3Confident90.5Very high86 Ų8652 Ų5246%0.4628%0.28SS..THydrogen-bonded Turntrans-90.8-8.9-174.9-55.5-51.5000113N94 S99 Y101N94-D97 PolarHBondContact ND2-OD2 3.33Å; N94-D97 PolarHBondContact O-N 2.72Å; D97-S99 PolarHBondContact O-N 3.34Å; D97-Y101 WeakPolarHBondContact O-CB 3.18Å; D97-Y101 PolarHBondContact O-N 3.22Å
98R88.4Confident90.3Very high5 Ų556 Ų562%0.01930%0.301CS..Hα-helixtrans-63.3-44.6-166.7-176.4178.2-61.8126.323112.9Y90 A93 N94 D95 Y101 G102 P138Y90-R98 HydrophobicContact CD2-CG 3.9Å; Y90-R98 HydrophobicContact CE1-CG 4.34Å; Y90-R98 HydrophobicContact CE2-CB 4.49Å; Y90-R98 HydrophobicContact CE2-CG 3.21Å; Y90-R98 VanDerWaalsContact CE2-O 3.29Å; Y90-R98 WeakPolarHBondContact CE2-O 3.1Å; Y90-R98 VanDerWaalsContact CZ-CG 3.46Å; Y90-R98 WeakPolarHBondContact OH-CD 3.28Å; A93-R98 PolarHBondContact O-NH2 3.16Å; N94-R98 WeakPolarHBondContact O-CB 3.39Å; N94-R98 PolarHBondContact O-N 3.33Å; N94-R98 VanDerWaalsContact O-N 3.15Å; D95-R98 IonicContact OD1-CZ 3.14Å; D95-R98 IonicContact OD1-NH1 2.71Å; D95-R98 PolarHBondContact OD1-NH1 3.3Å; D95-R98 IonicContact OD1-NH2 2.85Å; D95-R98 PolarHBondContact OD1-NH2 3.4Å; R98-Y101 PolarHBondContact O-N 3.2Å; R98-G102 PolarHBondContact O-N 2.84Å; R98-P138 VanDerWaalsContact CD-O 3.25Å; R98-P138 WeakPolarHBondContact CD-O 3.5Å; R98-P138 HydrophobicContact CG-CB 4.47Å; R98-P138 PolarHBondContact NH1-O 2.96Å
99S90.6Very high90.3Very high34 Ų3454.1 Ų54.124%0.23828%0.284CS..Hα-helixtrans-61.1-51.5-177-173.10000110.6D97 Y101 G102 L103 L133D97-S99 PolarHBondContact O-N 3.34Å; S99-Y101 PolarHBondContact O-N 2.87Å; S99-G102 PolarHBondContact O-N 3.21Å; S99-L103 WeakPolarHBondContact O-CG 3.37Å; S99-L103 PolarHBondContact O-N 3.46Å; S99-L133 PolarHBondContact OG-O 2.99Å
100D91.4Very high90.2Very high119 Ų11950.9 Ų50.964%0.63627%0.265SS*.Hα-helixtrans-62.6-43.2-179.9-71.3-20000111.8L103 S104D100-L103 PolarHBondContact O-N 3.32Å; D100-S104 PolarHBondContact O-N 2.9Å
101Y93.7Very high89.7Confident76 Ų7653 Ų5330%0.29828%0.276SS..Hα-helixtrans-62.7-45.7177-169.1-113000111.6A86 D89 Y90 D97 R98 S99 L103 S104 I105A86-Y101 WeakPolarHBondContact O-CE1 3.4Å; D89-Y101 HydrophobicContact CB-CE1 3.83Å; D89-Y101 VanDerWaalsContact CB-OH 3.24Å; D89-Y101 WeakPolarHBondContact CB-OH 3.39Å; Y90-Y101 HydrophobicContact CD2-CD1 4.17Å; Y90-Y101 HydrophobicContact CG-CD1 4.46Å; D97-Y101 WeakPolarHBondContact O-CB 3.18Å; D97-Y101 PolarHBondContact O-N 3.22Å; R98-Y101 PolarHBondContact O-N 3.2Å; S99-Y101 PolarHBondContact O-N 2.87Å; Y101-L103 PolarHBondContact O-N 3.41Å; Y101-S104 WeakPolarHBondContact O-CB 3.23Å; Y101-S104 PolarHBondContact O-N 3.11Å; Y101-S104 VanDerWaalsContact O-N 3.14Å; Y101-S104 PolarHBondContact O-OG 2.64Å; Y101-I105 HydrophobicContact CD1-CD1 4.26Å; Y101-I105 HydrophobicContact CE1-CD1 4Å; Y101-I105 WeakPolarHBondContact O-CG1 3.22Å; Y101-I105 PolarHBondContact O-N 3.01Å; Y101-I105 VanDerWaalsContact O-N 3.1Å
102G94.1Very high88.8Confident0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-62.5-39.3176.400000113.1R98 S99 S104 I105 L106 L133R98-G102 PolarHBondContact O-N 2.84Å; S99-G102 PolarHBondContact O-N 3.21Å; G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.24Å; G102-I105 WeakPolarHBondContact O-CB 3.33Å; G102-I105 PolarHBondContact O-N 3.48Å; G102-L106 PolarHBondContact O-N 3.21Å; G102-L133 VanDerWaalsContact C-CD1 3.45Å
103L93.4Very high87.8Confident60 Ų6063.1 Ų63.131%0.31432%0.323SS..Hα-helixtrans-64.4-36.4174.5-71.5172.7000111.7S99 D100 Y101 I105 L106 D107 L133S99-L103 WeakPolarHBondContact O-CG 3.37Å; S99-L103 PolarHBondContact O-N 3.46Å; D100-L103 PolarHBondContact O-N 3.32Å; Y101-L103 PolarHBondContact O-N 3.41Å; L103-I105 VanDerWaalsContact C-N 3.35Å; L103-L106 PolarHBondContact O-N 3.14Å; L103-D107 PolarHBondContact O-N 2.76Å; L103-L133 HydrophobicContact CD2-CB 4.25Å; L103-L133 HydrophobicContact CD2-CD1 4.17Å; L103-L133 HydrophobicContact CG-CB 4.46Å; L103-L133 HydrophobicContact CG-CD1 4.41Å
104S93.8Very high86.6Confident42 Ų4267.1 Ų67.129%0.29434%0.341SS..Hα-helixtrans-64.2-37.4174.883.30000112.6D100 Y101 G102 L106 D107 I108D100-S104 PolarHBondContact O-N 2.9Å; Y101-S104 WeakPolarHBondContact O-CB 3.23Å; Y101-S104 PolarHBondContact O-N 3.11Å; Y101-S104 VanDerWaalsContact O-N 3.14Å; Y101-S104 PolarHBondContact O-OG 2.64Å; G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.24Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.78Å; S104-D107 PolarHBondContact O-N 3.19Å; S104-I108 WeakPolarHBondContact O-CB 3.32Å; S104-I108 WeakPolarHBondContact O-CD1 3.13Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.45Å; S104-I108 PolarHBondContact O-N 3.31Å
105I94.7Very high85.5Confident2 Ų265.5 Ų65.51%0.0134%0.337CS..Hα-helixtrans-60.3-47.5173.5-63.4176.6000109.6F83 A86 Y90 Y101 G102 L103 D107 I108 F109 F143F83-I105 HydrophobicContact CD2-CG2 4.04Å; F83-I105 HydrophobicContact CE2-CG2 3.78Å; A86-I105 HydrophobicContact CB-CD1 4.09Å; A86-I105 HydrophobicContact CB-CG1 4.05Å; A86-I105 WeakPolarHBondContact O-CD1 3.29Å; Y90-I105 HydrophobicContact CG-CD1 4.41Å; Y101-I105 HydrophobicContact CD1-CD1 4.26Å; Y101-I105 HydrophobicContact CE1-CD1 4Å; Y101-I105 WeakPolarHBondContact O-CG1 3.22Å; Y101-I105 PolarHBondContact O-N 3.01Å; Y101-I105 VanDerWaalsContact O-N 3.1Å; G102-I105 WeakPolarHBondContact O-CB 3.33Å; G102-I105 PolarHBondContact O-N 3.48Å; L103-I105 VanDerWaalsContact C-N 3.35Å; I105-D107 PolarHBondContact O-N 2.85Å; I105-I108 PolarHBondContact O-N 3.46Å; I105-F109 HydrophobicContact CG2-CD2 3.84Å; I105-F109 HydrophobicContact CG2-CE2 4.36Å; I105-F109 WeakPolarHBondContact O-CD2 3.31Å; I105-F109 PolarHBondContact O-N 3.31Å; I105-F143 HydrophobicContact CB-CZ 4.08Å; I105-F143 HydrophobicContact CD1-CE2 4.13Å; I105-F143 HydrophobicContact CD1-CZ 4.41Å; I105-F143 HydrophobicContact CG2-CE1 4.15Å; I105-F143 HydrophobicContact CG2-CZ 4.11Å
106L92.9Very high84.7Confident1 Ų165.2 Ų65.21%0.00535%0.346CS..Hα-helixtrans-60.4-37.1179.2-70-177.2000112.7G102 L103 S104 F110 V126 C129 R130 L133 F143G102-L106 PolarHBondContact O-N 3.21Å; L103-L106 PolarHBondContact O-N 3.14Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.78Å; L106-F110 HydrophobicContact CD2-CD2 3.9Å; L106-F110 HydrophobicContact CD2-CE2 4.3Å; L106-F110 CarbonylContact O-C 3.56Å; L106-F110 WeakPolarHBondContact O-CA 3.23Å; L106-F110 WeakPolarHBondContact O-CB 3.39Å; L106-F110 PolarHBondContact O-N 2.97Å; L106-V126 HydrophobicContact CD2-CG1 3.9Å; L106-C129 HydrophobicContact CD2-CB 4.25Å; L106-R130 HydrophobicContact CD1-CB 3.73Å; L106-R130 HydrophobicContact CD1-CG 4.14Å; L106-L133 HydrophobicContact CD1-CD1 3.63Å; L106-L133 HydrophobicContact CG-CD1 4.16Å; L106-F143 HydrophobicContact CD2-CE1 3.71Å; L106-F143 HydrophobicContact CD2-CZ 4.36Å; L106-F143 HydrophobicContact CG-CE1 4.08Å; L106-F143 HydrophobicContact CG-CZ 4.23Å
107D90.9Very high84Confident71 Ų7159 Ų5938%0.3832%0.321SS..Hα-helixtrans-70.3-46.3178.3-162.745.9000112.1L103 S104 I105 F109 N111 L114L103-D107 PolarHBondContact O-N 2.76Å; S104-D107 PolarHBondContact O-N 3.19Å; I105-D107 PolarHBondContact O-N 2.85Å; D107-F109 PolarHBondContact O-N 2.91Å; D107-N111 WeakPolarHBondContact O-CB 3.28Å; D107-N111 PolarHBondContact O-N 3.26Å; D107-N111 PolarHBondContact OD1-ND2 3.08Å; D107-L114 HydrophobicContact CB-CD1 4.46Å; D107-L114 WeakPolarHBondContact OD1-CD1 3.46Å; D107-L114 WeakPolarHBondContact OD2-CD1 3.23Å
108I91.1Very high83.9Confident88 Ų8855.2 Ų55.245%0.45130%0.301SS..Hα-helixtrans-65.3-41.4-178.4-68.1164.2000111.9R79 S104 I105R79-I108 PolarHBondContact NH2-O 2.93Å; S104-I108 WeakPolarHBondContact O-CB 3.32Å; S104-I108 WeakPolarHBondContact O-CD1 3.13Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.45Å; S104-I108 PolarHBondContact O-N 3.31Å; I105-I108 PolarHBondContact O-N 3.46Å
109F91.7Very high83.4Confident10 Ų1059.9 Ų59.94%0.04433%0.332CS..Hα-helixtrans-100.3-24.5-168.9-66.7-77000114.6R79 E82 F83 A86 I105 D107 P117R79-F109 HydrophobicContact CG-CD1 4.25Å; R79-F109 HydrophobicContact CG-CE1 4.33Å; R79-F109 PolarHBondContact NH2-O 2.66Å; E82-F109 HydrophobicContact CB-CE1 4.13Å; E82-F109 HydrophobicContact CB-CZ 4.13Å; F83-F109 VanDerWaalsContact CA-CZ 3.47Å; F83-F109 HydrophobicContact CB-CD1 3.75Å; F83-F109 HydrophobicContact CB-CD2 4.45Å; F83-F109 HydrophobicContact CB-CE1 3.72Å; F83-F109 HydrophobicContact CB-CE2 4.43Å; F83-F109 HydrophobicContact CB-CG 4.13Å; F83-F109 HydrophobicContact CB-CZ 4.08Å; F83-F109 HydrophobicContact CD2-CB 4.07Å; F83-F109 HydrophobicContact CD2-CD1 4.28Å; F83-F109 AromaticContact CD2-CD2 3.81Å; F83-F109 HydrophobicContact CD2-CD2 3.81Å; F83-F109 HydrophobicContact CD2-CE2 4.33Å; F83-F109 AromaticContact CD2-CG 3.78Å; F83-F109 HydrophobicContact CD2-CG 3.78Å; F83-F109 HydrophobicContact CG-CD1 4.46Å; F83-F109 HydrophobicContact CG-CG 4.4Å; A86-F109 HydrophobicContact CB-CE2 3.86Å; A86-F109 HydrophobicContact CB-CZ 4.39Å; I105-F109 HydrophobicContact CG2-CD2 3.84Å; I105-F109 HydrophobicContact CG2-CE2 4.36Å; I105-F109 WeakPolarHBondContact O-CD2 3.31Å; I105-F109 PolarHBondContact O-N 3.31Å; D107-F109 PolarHBondContact O-N 2.91Å; F109-P117 WeakPolarHBondContact O-CA 3.47Å
110F89.6Confident83.2Confident23 Ų2361 Ų6110%0.10133%0.333CS..Hα-helixtrans-130.211.2-172.4-53.3-80000114.6F83 L106 L118 I121 V126F83-F110 HydrophobicContact CD2-CE2 4.21Å; F83-F110 HydrophobicContact CD2-CZ 4.38Å; F83-F110 AromaticContact CE2-CE2 3.69Å; F83-F110 HydrophobicContact CE2-CE2 3.69Å; F83-F110 AromaticContact CE2-CZ 3.94Å; F83-F110 HydrophobicContact CE2-CZ 3.94Å; F83-F110 HydrophobicContact CZ-CE2 4.3Å; F83-F110 HydrophobicContact CZ-CZ 4.19Å; L106-F110 HydrophobicContact CD2-CD2 3.9Å; L106-F110 HydrophobicContact CD2-CE2 4.3Å; L106-F110 CarbonylContact O-C 3.56Å; L106-F110 WeakPolarHBondContact O-CA 3.23Å; L106-F110 WeakPolarHBondContact O-CB 3.39Å; L106-F110 PolarHBondContact O-N 2.97Å; F110-L118 HydrophobicContact CE1-CB 4.13Å; F110-L118 HydrophobicContact CE1-CD1 4.42Å; F110-L118 HydrophobicContact CZ-CD1 4.27Å; F110-I121 HydrophobicContact CE1-CB 3.83Å; F110-I121 HydrophobicContact CE1-CD1 3.65Å; F110-I121 HydrophobicContact CE1-CG1 4.29Å; F110-I121 HydrophobicContact CE1-CG2 3.87Å; F110-I121 HydrophobicContact CZ-CB 4.41Å; F110-I121 HydrophobicContact CZ-CD1 3.48Å; F110-I121 VanDerWaalsContact CZ-CD1 3.48Å; F110-I121 HydrophobicContact CZ-CG2 4.19Å; F110-V126 HydrophobicContact CB-CG1 3.86Å; F110-V126 HydrophobicContact CD1-CG1 4.45Å; F110-V126 HydrophobicContact CD1-CG2 3.67Å; F110-V126 HydrophobicContact CD2-CG1 4.26Å; F110-V126 HydrophobicContact CD2-CG2 4.49Å; F110-V126 HydrophobicContact CE1-CG2 3.92Å; F110-V126 HydrophobicContact CG-CG1 3.94Å; F110-V126 HydrophobicContact CG-CG2 3.98Å; F110-V126 HydrophobicContact CZ-CG2 4.43Å
111N83.4Confident83.2Confident43 Ų4355.8 Ų55.823%0.2331%0.305CS..  trans-92.7110.2169.5-170.9-13.4000110.5D107 K113 L114 A115D107-N111 WeakPolarHBondContact O-CB 3.28Å; D107-N111 PolarHBondContact O-N 3.26Å; D107-N111 PolarHBondContact OD1-ND2 3.08Å; N111-K113 PolarHBondContact O-N 3.27Å; N111-K113 WeakPolarHBondContact OD1-CB 3.48Å; N111-K113 PolarHBondContact OD1-N 3Å; N111-K113 VanDerWaalsContact OD1-N 3.09Å; N111-L114 HydrophobicContact CB-CB 4.43Å; N111-L114 HydrophobicContact CB-CD1 4.19Å; N111-L114 HydrophobicContact CB-CG 4.42Å; N111-L114 PolarHBondContact O-N 3.36Å; N111-A115 PolarHBondContact O-N 3.31Å
112D70.6Confident83.1Confident131 Ų13154.5 Ų54.570%0.70131%0.306SS*.THydrogen-bonded Turntrans-52.6-21.2177.9-65-28.6000114P117D112-P117 WeakPolarHBondContact OD1-CD 3.37Å; D112-P117 WeakPolarHBondContact OD1-CG 3.49Å
113K67.3Low82.9Confident191 Ų19159.6 Ų59.683%0.8334%0.339SS*.THydrogen-bonded Turntrans-82.3-21.6179-61.5-176.5179.3-1800113.9N111N111-K113 PolarHBondContact O-N 3.27Å; N111-K113 WeakPolarHBondContact OD1-CB 3.48Å; N111-K113 PolarHBondContact OD1-N 3Å; N111-K113 VanDerWaalsContact OD1-N 3.09Å
114L62.5Low82.8Confident104 Ų10460.2 Ų60.255%0.54534%0.343SS..THydrogen-bonded Turntrans-104.4-36.8-173.1-69.7173.7000112.4D107 N111D107-L114 HydrophobicContact CB-CD1 4.46Å; D107-L114 WeakPolarHBondContact OD1-CD1 3.46Å; D107-L114 WeakPolarHBondContact OD2-CD1 3.23Å; N111-L114 HydrophobicContact CB-CB 4.43Å; N111-L114 HydrophobicContact CB-CD1 4.19Å; N111-L114 HydrophobicContact CB-CG 4.42Å; N111-L114 PolarHBondContact O-N 3.36Å
115A61.4Low82.9Confident32 Ų3258.7 Ų58.726%0.26433%0.332SS..SBendtrans-166.6165.2173.400000111.2R79 N111R79-A115 VanDerWaalsContact CZ-CB 3.44Å; N111-A115 PolarHBondContact O-N 3.31Å
116A64.8Low82.8Confident75 Ų7559.4 Ų59.462%0.6234%0.336SS*.  trans-58.9127.2175.800000110.5R79R79-A116 PolarHBondContact NE-O 2.88Å; R79-A116 PolarHBondContact NH2-O 3.09Å
117P71.8Confident82.7Confident47 Ų4766.2 Ų66.231%0.30536%0.362SS..  trans-58162.1175.5-22.831.5000112.4F109 D112 P119F109-P117 WeakPolarHBondContact O-CA 3.47Å; D112-P117 WeakPolarHBondContact OD1-CD 3.37Å; D112-P117 WeakPolarHBondContact OD1-CG 3.49Å; P117-P119 WeakPolarHBondContact O-CD 3.11Å
118L83.3Confident82.9Confident5 Ų568.4 Ų68.43%0.02637%0.37CS..  trans-75.7101.7164.1-60.3177.1000107.9R79 F83 F110 E120 I121R79-L118 HydrophobicContact CB-CD2 4.38Å; R79-L118 HydrophobicContact CG-CD2 3.97Å; F83-L118 HydrophobicContact CB-CD1 3.86Å; F83-L118 HydrophobicContact CD1-CD1 3.94Å; F83-L118 HydrophobicContact CD2-CD1 4.39Å; F83-L118 HydrophobicContact CG-CD1 3.78Å; F110-L118 HydrophobicContact CE1-CB 4.13Å; F110-L118 HydrophobicContact CE1-CD1 4.42Å; F110-L118 HydrophobicContact CZ-CD1 4.27Å; L118-E120 PolarHBondContact O-N 3.29Å; L118-E120 VanDerWaalsContact O-N 3.15Å; L118-I121 HydrophobicContact CB-CD1 4.04Å; L118-I121 HydrophobicContact CB-CG1 4.32Å; L118-I121 HydrophobicContact CD1-CD1 3.8Å; L118-I121 PolarHBondContact O-N 3.23Å
119P78.3Confident83.1Confident104 Ų10464.4 Ų64.468%0.67535%0.35SS*.THydrogen-bonded Turntrans-67.3-18-166.728.5-35.7000113.6P117 I121P117-P119 WeakPolarHBondContact O-CD 3.11Å; P119-I121 VanDerWaalsContact C-N 3.32Å
120E87.7Confident83.2Confident57 Ų5769.2 Ų69.227%0.26637%0.368SS..THydrogen-bonded Turntrans-75.6-22.2179.8-57.878.7-166.800112.5H80 L118 P122 V149 Y153H80-E120 IonicContact CE1-OE2 3.14Å; H80-E120 IonicContact NE2-OE2 3.27Å; H80-E120 PolarHBondContact NE2-OE2 3.29Å; H80-E120 VanDerWaalsContact NE2-OE2 3.17Å; L118-E120 PolarHBondContact O-N 3.29Å; L118-E120 VanDerWaalsContact O-N 3.15Å; E120-P122 WeakPolarHBondContact O-CD 3.21Å; E120-V149 HydrophobicContact CB-CG1 4.33Å; E120-V149 WeakPolarHBondContact O-CG1 3.47Å; E120-Y153 HydrophobicContact CG-CD2 3.54Å; E120-Y153 HydrophobicContact CG-CE2 4.13Å; E120-Y153 HydrophobicContact CG-CG 3.77Å; E120-Y153 WeakPolarHBondContact OE1-CE2 3.4Å
121I89.7Confident83.3Confident9 Ų973.3 Ų73.35%0.04639%0.39CS..SBendtrans-87.4116.3-178.5-60.6176.6000109.3F83 F110 L118 P119 V126 C146 V149F83-I121 HydrophobicContact CE1-CD1 4.12Å; F83-I121 HydrophobicContact CZ-CD1 4.45Å; F110-I121 HydrophobicContact CE1-CB 3.83Å; F110-I121 HydrophobicContact CE1-CD1 3.65Å; F110-I121 HydrophobicContact CE1-CG1 4.29Å; F110-I121 HydrophobicContact CE1-CG2 3.87Å; F110-I121 HydrophobicContact CZ-CB 4.41Å; F110-I121 HydrophobicContact CZ-CD1 3.48Å; F110-I121 VanDerWaalsContact CZ-CD1 3.48Å; F110-I121 HydrophobicContact CZ-CG2 4.19Å; L118-I121 HydrophobicContact CB-CD1 4.04Å; L118-I121 HydrophobicContact CB-CG1 4.32Å; L118-I121 HydrophobicContact CD1-CD1 3.8Å; L118-I121 PolarHBondContact O-N 3.23Å; P119-I121 VanDerWaalsContact C-N 3.32Å; I121-V126 HydrophobicContact CG2-CG2 3.78Å; I121-C146 HydrophobicContact CD1-CB 4.28Å; I121-V149 HydrophobicContact CG1-CB 4.36Å; I121-V149 HydrophobicContact CG1-CG1 4Å
122P91.3Very high83.7Confident49 Ų4971.9 Ų71.932%0.31839%0.385SS..  trans-63.8139.4-176.1-24.636.2000112.8E120 D124 V125 V126E120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-D124 WeakPolarHBondContact CB-OD1 3.2Å; P122-D124 PolarHBondContact O-N 2.98Å; P122-D124 VanDerWaalsContact O-N 3.15Å; P122-V125 HydrophobicContact CB-CG2 4.11Å; P122-V125 HydrophobicContact CG-CG2 4.2Å; P122-V125 WeakPolarHBondContact O-CB 3.46Å; P122-V125 PolarHBondContact O-N 2.72Å; P122-V126 PolarHBondContact O-N 3.13Å
123P90.3Very high84.8Confident108 Ų10865.6 Ų65.670%0.70135%0.352SS*.Hα-helixtrans-59.2-27.3-179-26.934.8000114.7R127P123-R127 WeakPolarHBondContact O-CB 3.41Å; P123-R127 PolarHBondContact O-N 3.19Å
124D92.9Very high85.9Confident72 Ų7263.7 Ų63.739%0.38534%0.343SS..Hα-helixtrans-66.8-41.1173.553.7-47.2000112.5P122 V126 R127 E128P122-D124 WeakPolarHBondContact CB-OD1 3.2Å; P122-D124 PolarHBondContact O-N 2.98Å; P122-D124 VanDerWaalsContact O-N 3.15Å; D124-V126 VanDerWaalsContact C-N 3.35Å; D124-V126 PolarHBondContact O-N 3.38Å; D124-R127 VanDerWaalsContact CB-NH2 3.3Å; D124-R127 WeakPolarHBondContact O-CB 3.37Å; D124-R127 PolarHBondContact O-N 3.43Å; D124-E128 WeakPolarHBondContact O-CG 3.32Å; D124-E128 PolarHBondContact O-N 2.9Å
125V93.9Very high87.1Confident11 Ų1164.2 Ų64.27%0.06734%0.343CS..Hα-helixtrans-62.1-44.2173.6178.80000110.3P122 R127 E128 C129 E145P122-V125 HydrophobicContact CB-CG2 4.11Å; P122-V125 HydrophobicContact CG-CG2 4.2Å; P122-V125 WeakPolarHBondContact O-CB 3.46Å; P122-V125 PolarHBondContact O-N 2.72Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.42Å; V125-E128 PolarHBondContact O-N 3.49Å; V125-C129 PolarHBondContact O-N 2.88Å; V125-C129 PolarHBondContact O-SG 2.92Å; V125-E145 HydrophobicContact CG1-CB 3.94Å; V125-E145 HydrophobicContact CG1-CG 3.66Å; V125-E145 HydrophobicContact CG2-CG 4.01Å
126V92.7Very high88Confident16 Ų1672.6 Ų72.610%0.09738%0.377CS..Hα-helixtrans-61-39.2176.4-177.70000111.2L106 F110 I121 P122 D124 C129 R130L106-V126 HydrophobicContact CD2-CG1 3.9Å; F110-V126 HydrophobicContact CB-CG1 3.86Å; F110-V126 HydrophobicContact CD1-CG1 4.45Å; F110-V126 HydrophobicContact CD1-CG2 3.67Å; F110-V126 HydrophobicContact CD2-CG1 4.26Å; F110-V126 HydrophobicContact CD2-CG2 4.49Å; F110-V126 HydrophobicContact CE1-CG2 3.92Å; F110-V126 HydrophobicContact CG-CG1 3.94Å; F110-V126 HydrophobicContact CG-CG2 3.98Å; F110-V126 HydrophobicContact CZ-CG2 4.43Å; I121-V126 HydrophobicContact CG2-CG2 3.78Å; P122-V126 PolarHBondContact O-N 3.13Å; D124-V126 VanDerWaalsContact C-N 3.35Å; D124-V126 PolarHBondContact O-N 3.38Å; V126-C129 PolarHBondContact O-N 3.28Å; V126-R130 PolarHBondContact O-N 3.48Å
127R92.4Very high88.8Confident145 Ų14573.7 Ų73.755%0.54737%0.372SS..Hα-helixtrans-65.4-41.5176.4-178-177.962.4-121.2-5.4111.6P123 D124 V125 R130 L131P123-R127 WeakPolarHBondContact O-CB 3.41Å; P123-R127 PolarHBondContact O-N 3.19Å; D124-R127 VanDerWaalsContact CB-NH2 3.3Å; D124-R127 WeakPolarHBondContact O-CB 3.37Å; D124-R127 PolarHBondContact O-N 3.43Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.42Å; R127-R130 WeakPolarHBondContact O-CB 3.42Å; R127-R130 PolarHBondContact O-N 2.75Å; R127-L131 WeakPolarHBondContact O-CG 3.48Å; R127-L131 PolarHBondContact O-N 3.5Å
128E94.3Very high89.4Confident116 Ų11671.8 Ų71.854%0.54236%0.36SS..Hα-helixtrans-62.2-44.6175.2-73.1177.2-178.100111.7D124 V125 R130 L131 G132D124-E128 WeakPolarHBondContact O-CG 3.32Å; D124-E128 PolarHBondContact O-N 2.9Å; V125-E128 PolarHBondContact O-N 3.49Å; E128-R130 VanDerWaalsContact C-N 3.28Å; E128-R130 PolarHBondContact O-N 3.44Å; E128-L131 PolarHBondContact O-N 3.14Å; E128-L131 VanDerWaalsContact O-N 3.08Å; E128-G132 PolarHBondContact O-N 3.38Å
129C94.3Very high89.7Confident5 Ų574.3 Ų74.33%0.03438%0.378CS..Hα-helixtrans-56.6-44.5173.6-62.70000111.3L106 V125 V126 L131 G132 L133 V142 F143L106-C129 HydrophobicContact CD2-CB 4.25Å; V125-C129 PolarHBondContact O-N 2.88Å; V125-C129 PolarHBondContact O-SG 2.92Å; V126-C129 PolarHBondContact O-N 3.28Å; C129-L131 VanDerWaalsContact C-N 3.28Å; C129-L131 PolarHBondContact O-N 3.05Å; C129-G132 PolarHBondContact O-N 3.2Å; C129-L133 VanDerWaalsContact O-CG 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.24Å; C129-V142 HydrophobicContact CB-CG1 3.86Å; C129-V142 PolarHBondContact SG-O 3.24Å; C129-F143 HydrophobicContact CB-CD1 4.32Å; C129-F143 HydrophobicContact CB-CE1 4.16Å
130R93.9Very high90Very high111 Ų11171.2 Ų71.242%0.41935%0.354SS..Hα-helixtrans-62.9-32.8178.3-167.7178.9-67.7-115.90.1112.8L106 V126 R127 E128 K134L106-R130 HydrophobicContact CD1-CB 3.73Å; L106-R130 HydrophobicContact CD1-CG 4.14Å; V126-R130 PolarHBondContact O-N 3.48Å; R127-R130 WeakPolarHBondContact O-CB 3.42Å; R127-R130 PolarHBondContact O-N 2.75Å; E128-R130 VanDerWaalsContact C-N 3.28Å; E128-R130 PolarHBondContact O-N 3.44Å; R130-K134 WeakPolarHBondContact O-CG 3.18Å
131L93.1Very high90.1Very high108 Ų10873.4 Ų73.457%0.56536%0.362SS*.Hα-helixtrans-72.1-46.4175-69.9171.8000110.9R127 E128 C129 L133 K134R127-L131 WeakPolarHBondContact O-CG 3.48Å; R127-L131 PolarHBondContact O-N 3.5Å; E128-L131 PolarHBondContact O-N 3.14Å; E128-L131 VanDerWaalsContact O-N 3.08Å; C129-L131 VanDerWaalsContact C-N 3.28Å; C129-L131 PolarHBondContact O-N 3.05Å; L131-L133 PolarHBondContact O-N 3.08Å; L131-K134 WeakPolarHBondContact O-CB 3.16Å; L131-K134 PolarHBondContact O-N 2.88Å
132G92.2Very high90.3Very high13 Ų1374 Ų7413%0.13437%0.367CS..Hα-helixtrans-62-29.7178.100000113.8E128 C129 K134 E135E128-G132 PolarHBondContact O-N 3.38Å; C129-G132 PolarHBondContact O-N 3.2Å; G132-K134 VanDerWaalsContact C-N 3.29Å; G132-K134 PolarHBondContact O-N 2.88Å; G132-E135 PolarHBondContact O-N 2.95Å
133L93.1Very high90.5Very high0 Ų071.8 Ų71.80%035%0.352CS..THydrogen-bonded Turntrans-72.9-17.4174.9-70.4168.1000114.4Y90 S99 G102 L103 L106 C129 L131 P138 V142 F143Y90-L133 HydrophobicContact CE2-CD2 3.63Å; Y90-L133 WeakPolarHBondContact OH-CD2 3.42Å; S99-L133 PolarHBondContact OG-O 2.99Å; G102-L133 VanDerWaalsContact C-CD1 3.45Å; L103-L133 HydrophobicContact CD2-CB 4.25Å; L103-L133 HydrophobicContact CD2-CD1 4.17Å; L103-L133 HydrophobicContact CG-CB 4.46Å; L103-L133 HydrophobicContact CG-CD1 4.41Å; L106-L133 HydrophobicContact CD1-CD1 3.63Å; L106-L133 HydrophobicContact CG-CD1 4.16Å; C129-L133 VanDerWaalsContact O-CG 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.24Å; L131-L133 PolarHBondContact O-N 3.08Å; L133-P138 HydrophobicContact CD2-CB 4.24Å; L133-P138 WeakPolarHBondContact O-CG 3.47Å; L133-V142 HydrophobicContact CD1-CG1 4.34Å; L133-V142 HydrophobicContact CD2-CG1 4.01Å; L133-V142 HydrophobicContact CD2-CG2 4.42Å; L133-V142 HydrophobicContact CG-CG1 3.83Å; L133-F143 HydrophobicContact CD1-CZ 4.02Å
134K90Very high90.8Very high150 Ų15071.5 Ų71.565%0.65234%0.341SS*.THydrogen-bonded Turntrans-89-3.5178.4-70.9177.5177.4-1730113.3R130 L131 G132R130-K134 WeakPolarHBondContact O-CG 3.18Å; L131-K134 WeakPolarHBondContact O-CB 3.16Å; L131-K134 PolarHBondContact O-N 2.88Å; G132-K134 VanDerWaalsContact C-N 3.29Å; G132-K134 PolarHBondContact O-N 2.88Å
135E88.1Confident90.9Very high116 Ų11671.5 Ų71.554%0.54234%0.339SS..SBendtrans-68155.4173.4-64.2-179.1-179.300110.7G132 N137 P138G132-E135 PolarHBondContact O-N 2.95Å; E135-N137 PolarHBondContact O-N 3.27Å; E135-P138 WeakPolarHBondContact O-CD 3.26Å
136E78.8Confident91Very high207 Ų20771 Ų7197%0.96734%0.336SS*.SBendtrans-60.2-28.7-178.8-170.7176.2-172.300112.5
137N81.7Confident91.1Very high99 Ų9971.7 Ų71.753%0.52934%0.34SS..SBendtrans-138.291.1171.8-172.43.3000110.3E135 S139E135-N137 PolarHBondContact O-N 3.27Å; N137-S139 PolarHBondContact O-N 3.44Å
138P86.1Confident91.2Very high6 Ų670.7 Ų70.74%0.03934%0.336CS..  trans-58.1132.4-176.1-27.636.5000112.6R98 L133 E135R98-P138 VanDerWaalsContact CD-O 3.25Å; R98-P138 WeakPolarHBondContact CD-O 3.5Å; R98-P138 HydrophobicContact CG-CB 4.47Å; R98-P138 PolarHBondContact NH1-O 2.96Å; L133-P138 HydrophobicContact CD2-CB 4.24Å; L133-P138 WeakPolarHBondContact O-CG 3.47Å; E135-P138 WeakPolarHBondContact O-CD 3.26Å
139S88.1Confident91.3Very high59 Ų5966.1 Ų66.141%0.41332%0.316SS..  trans-60.2139.9175.3177.70000111.1Y90 N137 K141 V142Y90-S139 PolarHBondContact OH-O 2.96Å; N137-S139 PolarHBondContact O-N 3.44Å; S139-K141 PolarHBondContact O-N 3.32Å; S139-K141 VanDerWaalsContact O-N 3.16Å; S139-K141 PolarHBondContact OG-N 3.48Å; S139-K141 VanDerWaalsContact OG-N 3.15Å; S139-V142 WeakPolarHBondContact O-CG2 3.29Å; S139-V142 PolarHBondContact O-N 3.4Å
140K85.2Confident91.4Very high39 Ų3965.9 Ų65.917%0.1732%0.315CS..THydrogen-bonded Turntrans-65.1-15.4172-64.2-179.3179.5168.80112.5N453 R455K140-N453 PolarHBondContact NZ-OD1 3.03Å; K140-R455 HydrophobicContact CD-CB 4.13Å; K140-R455 HydrophobicContact CD-CG 3.45Å; K140-R455 VanDerWaalsContact CD-CG 3.45Å
141K90.1Very high91.5Very high102 Ų10262.7 Ų62.744%0.44330%0.304SS..THydrogen-bonded Turntrans-96.49.9-179.3-69.9170.1145.6-95.50113.9S139 F143 E144S139-K141 PolarHBondContact O-N 3.32Å; S139-K141 VanDerWaalsContact O-N 3.16Å; S139-K141 PolarHBondContact OG-N 3.48Å; S139-K141 VanDerWaalsContact OG-N 3.15Å; K141-F143 PolarHBondContact O-N 3.33Å; K141-F143 VanDerWaalsContact O-N 3.1Å; K141-E144 HydrophobicContact CB-CB 4.35Å; K141-E144 IonicContact NZ-OE1 2.72Å; K141-E144 PolarHBondContact NZ-OE1 2.87Å; K141-E144 IonicContact NZ-OE2 2.87Å; K141-E144 PolarHBondContact NZ-OE2 3.29Å; K141-E144 VanDerWaalsContact O-CB 3.26Å; K141-E144 WeakPolarHBondContact O-CB 3.27Å; K141-E144 PolarHBondContact O-N 2.93Å
142V94.3Very high91.6Very high22 Ų2260.7 Ų60.713%0.13329%0.294CS..THydrogen-bonded Turntrans-49.4-38.7-179.4157.50000112.8Y90 C129 L133 S139Y90-V142 HydrophobicContact CE1-CB 4.29Å; C129-V142 HydrophobicContact CB-CG1 3.86Å; C129-V142 PolarHBondContact SG-O 3.24Å; L133-V142 HydrophobicContact CD1-CG1 4.34Å; L133-V142 HydrophobicContact CD2-CG1 4.01Å; L133-V142 HydrophobicContact CD2-CG2 4.42Å; L133-V142 HydrophobicContact CG-CG1 3.83Å; S139-V142 WeakPolarHBondContact O-CG2 3.29Å; S139-V142 PolarHBondContact O-N 3.4Å
143F95.9Very high91.8Very high2 Ų262.8 Ų62.81%0.00930%0.299CS..THydrogen-bonded Turntrans-97.17.1-177.1-64.6-74.7000114.4V87 Y90 I105 L106 C129 L133 K141 E145 C146 T147V87-F143 HydrophobicContact CB-CB 4.46Å; V87-F143 HydrophobicContact CG1-CB 3.67Å; V87-F143 HydrophobicContact CG1-CD2 4.49Å; V87-F143 HydrophobicContact CG1-CG 4.36Å; V87-F143 HydrophobicContact CG2-CB 3.88Å; V87-F143 HydrophobicContact CG2-CD1 4.44Å; V87-F143 HydrophobicContact CG2-CD2 4.35Å; V87-F143 HydrophobicContact CG2-CG 3.99Å; Y90-F143 AromaticContact CD1-CD2 3.78Å; Y90-F143 HydrophobicContact CD1-CD2 3.78Å; Y90-F143 HydrophobicContact CD1-CE2 4.07Å; Y90-F143 HydrophobicContact CD2-CD2 4.49Å; Y90-F143 AromaticContact CD2-CE2 3.96Å; Y90-F143 HydrophobicContact CD2-CE2 3.96Å; Y90-F143 AromaticContact CE1-CD2 3.92Å; Y90-F143 HydrophobicContact CE1-CD2 3.92Å; Y90-F143 HydrophobicContact CE1-CE2 4.16Å; Y90-F143 HydrophobicContact CE2-CE2 4.01Å; Y90-F143 HydrophobicContact CG-CD2 4.1Å; Y90-F143 AromaticContact CG-CE2 3.99Å; Y90-F143 HydrophobicContact CG-CE2 3.99Å; I105-F143 HydrophobicContact CB-CZ 4.08Å; I105-F143 HydrophobicContact CD1-CE2 4.13Å; I105-F143 HydrophobicContact CD1-CZ 4.41Å; I105-F143 HydrophobicContact CG2-CE1 4.15Å; I105-F143 HydrophobicContact CG2-CZ 4.11Å; L106-F143 HydrophobicContact CD2-CE1 3.71Å; L106-F143 HydrophobicContact CD2-CZ 4.36Å; L106-F143 HydrophobicContact CG-CE1 4.08Å; L106-F143 HydrophobicContact CG-CZ 4.23Å; C129-F143 HydrophobicContact CB-CD1 4.32Å; C129-F143 HydrophobicContact CB-CE1 4.16Å; L133-F143 HydrophobicContact CD1-CZ 4.02Å; K141-F143 PolarHBondContact O-N 3.33Å; K141-F143 VanDerWaalsContact O-N 3.1Å; F143-E145 PolarHBondContact O-N 3.05Å; F143-E145 VanDerWaalsContact O-N 3.17Å; F143-C146 WeakPolarHBondContact O-CB 3.35Å; F143-C146 PolarHBondContact O-N 3.42Å; F143-T147 PolarHBondContact O-N 2.95Å; F143-T147 PolarHBondContact O-OG1 3.31Å
144E94.8Very high91.9Very high103 Ų10362.8 Ų62.848%0.48130%0.299SS..Hα-helixtrans-53.9-41.5-174.3-176.4165.7-156.300112.1K141 R148K141-E144 HydrophobicContact CB-CB 4.35Å; K141-E144 IonicContact NZ-OE1 2.72Å; K141-E144 PolarHBondContact NZ-OE1 2.87Å; K141-E144 IonicContact NZ-OE2 2.87Å; K141-E144 PolarHBondContact NZ-OE2 3.29Å; K141-E144 VanDerWaalsContact O-CB 3.26Å; K141-E144 WeakPolarHBondContact O-CB 3.27Å; K141-E144 PolarHBondContact O-N 2.93Å; E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 PolarHBondContact O-N 3.01Å
145E95.5Very high92.2Very high72 Ų7262.8 Ų62.834%0.33629%0.294SS..Hα-helixtrans-72.8-39.8178.5-175.159.3-165.900113V125 F143 T147 R148 V149V125-E145 HydrophobicContact CG1-CB 3.94Å; V125-E145 HydrophobicContact CG1-CG 3.66Å; V125-E145 HydrophobicContact CG2-CG 4.01Å; F143-E145 PolarHBondContact O-N 3.05Å; F143-E145 VanDerWaalsContact O-N 3.17Å; E145-T147 VanDerWaalsContact C-N 3.32Å; E145-T147 PolarHBondContact O-N 2.81Å; E145-R148 VanDerWaalsContact CD-NE 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 2.83Å; E145-R148 IonicContact OE1-CZ 2.58Å; E145-R148 VanDerWaalsContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 2.83Å; E145-R148 PolarHBondContact OE1-NE 2.96Å; E145-R148 VanDerWaalsContact OE1-NE 3.14Å; E145-R148 IonicContact OE1-NH2 3.43Å; E145-R148 PolarHBondContact OE1-NH2 3.4Å; E145-R148 WeakPolarHBondContact OE2-CD 3.39Å; E145-R148 IonicContact OE2-CZ 3.78Å; E145-R148 IonicContact OE2-NE 2.62Å; E145-R148 PolarHBondContact OE2-NE 2.86Å; E145-R148 IonicContact OE2-NH2 3.17Å; E145-V149 WeakPolarHBondContact O-CG2 3.49Å; E145-V149 PolarHBondContact O-N 2.87Å
146C95.3Very high92.6Very high0 Ų058.6 Ų58.60%028%0.283CS..Hα-helixtrans-60.9-42.8174.2-70.30000111.4F83 I121 F143 V149 T150F83-C146 HydrophobicContact CE1-CB 4Å; F83-C146 HydrophobicContact CZ-CB 3.58Å; I121-C146 HydrophobicContact CD1-CB 4.28Å; F143-C146 WeakPolarHBondContact O-CB 3.35Å; F143-C146 PolarHBondContact O-N 3.42Å; C146-V149 PolarHBondContact O-N 2.73Å; C146-T150 WeakPolarHBondContact O-CB 3.48Å; C146-T150 PolarHBondContact O-N 3.03Å; C146-T150 PolarHBondContact O-OG1 3.18Å
147T95.3Very high93.4Very high30 Ų3055 Ų5518%0.18427%0.266CS..Hα-helixtrans-60.6-47.2174.3-64.10000110.6L84 F143 E145 V149 T150 H151L84-T147 HydrophobicContact CD2-CG2 3.91Å; F143-T147 PolarHBondContact O-N 2.95Å; F143-T147 PolarHBondContact O-OG1 3.31Å; E145-T147 VanDerWaalsContact C-N 3.32Å; E145-T147 PolarHBondContact O-N 2.81Å; T147-V149 PolarHBondContact O-N 3.43Å; T147-T150 WeakPolarHBondContact O-CB 3.33Å; T147-T150 PolarHBondContact O-N 2.71Å; T147-H151 PolarHBondContact O-CD2 3.25Å; T147-H151 VanDerWaalsContact O-CD2 3.29Å; T147-H151 PolarHBondContact O-N 2.91Å
148R95.6Very high94.1Very high125 Ų12550.4 Ų50.447%0.47224%0.241SC..Hα-helixtrans-57-47.5178-170-170.673.178.65.3112.1E144 E145 H151 N152E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 PolarHBondContact O-N 3.01Å; E145-R148 VanDerWaalsContact CD-NE 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 2.83Å; E145-R148 IonicContact OE1-CZ 2.58Å; E145-R148 VanDerWaalsContact OE1-CZ 3.27Å; E145-R148 IonicContact OE1-NE 2.83Å; E145-R148 PolarHBondContact OE1-NE 2.96Å; E145-R148 VanDerWaalsContact OE1-NE 3.14Å; E145-R148 IonicContact OE1-NH2 3.43Å; E145-R148 PolarHBondContact OE1-NH2 3.4Å; E145-R148 WeakPolarHBondContact OE2-CD 3.39Å; E145-R148 IonicContact OE2-CZ 3.78Å; E145-R148 IonicContact OE2-NE 2.62Å; E145-R148 PolarHBondContact OE2-NE 2.86Å; E145-R148 IonicContact OE2-NH2 3.17Å; R148-H151 PolarHBondContact O-N 2.69Å; R148-N152 PolarHBondContact NH1-ND2 2.9Å; R148-N152 VanDerWaalsContact NH1-ND2 3.15Å; R148-N152 VanDerWaalsContact O-CG 3.29Å; R148-N152 PolarHBondContact O-N 2.96Å; R148-N152 PolarHBondContact O-ND2 2.83Å
149V96.1Very high94.7Very high19 Ų1950.7 Ų50.712%0.11524%0.242CC..Hα-helixtrans-64.2-43.3178.7174.90000111.2E120 I121 E145 C146 T147 H151 N152 Y153E120-V149 HydrophobicContact CB-CG1 4.33Å; E120-V149 WeakPolarHBondContact O-CG1 3.47Å; I121-V149 HydrophobicContact CG1-CB 4.36Å; I121-V149 HydrophobicContact CG1-CG1 4Å; E145-V149 WeakPolarHBondContact O-CG2 3.49Å; E145-V149 PolarHBondContact O-N 2.87Å; C146-V149 PolarHBondContact O-N 2.73Å; T147-V149 PolarHBondContact O-N 3.43Å; V149-H151 PolarHBondContact O-N 3.39Å; V149-N152 WeakPolarHBondContact O-CB 3.3Å; V149-N152 PolarHBondContact O-N 3.02Å; V149-N152 VanDerWaalsContact O-N 3.09Å; V149-Y153 PolarHBondContact O-N 3.41Å
150T95.6Very high95.1Very high0 Ų053.9 Ų53.90%025%0.251CS..Hα-helixtrans-58.1-47.8176.2-60.70000112H80 F83 L84 C146 T147 N152 Y153 L154H80-T150 HydrophobicContact CB-CG2 4.12Å; F83-T150 HydrophobicContact CD1-CG2 4.42Å; L84-T150 HydrophobicContact CD1-CG2 3.91Å; L84-T150 HydrophobicContact CD2-CG2 3.77Å; L84-T150 HydrophobicContact CG-CG2 3.77Å; C146-T150 WeakPolarHBondContact O-CB 3.48Å; C146-T150 PolarHBondContact O-N 3.03Å; C146-T150 PolarHBondContact O-OG1 3.18Å; T147-T150 WeakPolarHBondContact O-CB 3.33Å; T147-T150 PolarHBondContact O-N 2.71Å; T150-N152 VanDerWaalsContact C-N 3.28Å; T150-N152 PolarHBondContact O-N 2.69Å; T150-Y153 PolarHBondContact O-N 3.41Å; T150-L154 HydrophobicContact CG2-CD1 4.06Å; T150-L154 WeakPolarHBondContact O-CG 3.33Å; T150-L154 PolarHBondContact O-N 3.32Å
151H95.8Very high95.7Very high44 Ų4455.5 Ų55.520%0.20426%0.259CS..Hα-helixtrans-65.1-32.1176.4-82.1-95.2000112.3Y53 T147 R148 V149 L154 R155Y53-H151 HydrophobicContact CE1-CB 4.33Å; Y53-H151 AromaticContact CE1-ND1 3.56Å; Y53-H151 AromaticContact CZ-ND1 3.97Å; Y53-H151 PolarHBondContact OH-ND1 2.62Å; T147-H151 PolarHBondContact O-CD2 3.25Å; T147-H151 VanDerWaalsContact O-CD2 3.29Å; T147-H151 PolarHBondContact O-N 2.91Å; R148-H151 PolarHBondContact O-N 2.69Å; V149-H151 PolarHBondContact O-N 3.39Å; H151-L154 PolarHBondContact O-N 2.95Å; H151-R155 WeakPolarHBondContact O-CB 3.2Å; H151-R155 WeakPolarHBondContact O-CG 3.02Å; H151-R155 PolarHBondContact O-N 3.03Å
152N95.8Very high96Very high67 Ų6750.7 Ų50.736%0.35824%0.238SC..Hα-helixtrans-67.9-33175.1-75.6-29.2000113.3R148 V149 T150 R155R148-N152 PolarHBondContact NH1-ND2 2.9Å; R148-N152 VanDerWaalsContact NH1-ND2 3.15Å; R148-N152 VanDerWaalsContact O-CG 3.29Å; R148-N152 PolarHBondContact O-N 2.96Å; R148-N152 PolarHBondContact O-ND2 2.83Å; V149-N152 WeakPolarHBondContact O-CB 3.3Å; V149-N152 PolarHBondContact O-N 3.02Å; V149-N152 VanDerWaalsContact O-N 3.09Å; T150-N152 VanDerWaalsContact C-N 3.28Å; T150-N152 PolarHBondContact O-N 2.69Å; N152-R155 WeakPolarHBondContact O-CG 3.21Å
153Y95.7Very high96.1Very high57 Ų5750.6 Ų50.622%0.22424%0.236CC..Hα-helixtrans-68.9-51.6170.3169.7-109000111.2L77 H80 E120 V149 T150 R155 G156 P158L77-Y153 HydrophobicContact CD2-CE1 3.85Å; H80-Y153 AromaticContact CD2-CD1 3.67Å; H80-Y153 AromaticContact CE1-CD1 3.78Å; H80-Y153 AromaticContact CE1-CE1 3.38Å; H80-Y153 WeakPolarHBondContact CE1-CE1 3.15Å; H80-Y153 AromaticContact ND1-CE1 3.87Å; H80-Y153 AromaticContact NE2-CD1 3.36Å; H80-Y153 WeakPolarHBondContact NE2-CD1 3.21Å; H80-Y153 AromaticContact NE2-CE1 3.48Å; H80-Y153 WeakPolarHBondContact NE2-CE1 3.21Å; E120-Y153 HydrophobicContact CG-CD2 3.54Å; E120-Y153 HydrophobicContact CG-CE2 4.13Å; E120-Y153 HydrophobicContact CG-CG 3.77Å; E120-Y153 WeakPolarHBondContact OE1-CE2 3.4Å; V149-Y153 PolarHBondContact O-N 3.41Å; T150-Y153 PolarHBondContact O-N 3.41Å; Y153-R155 PolarHBondContact O-N 3.28Å; Y153-G156 PolarHBondContact O-N 2.87Å; Y153-P158 HydrophobicContact CD1-CG 4.38Å; Y153-P158 HydrophobicContact CE1-CG 3.88Å; Y153-P158 HydrophobicContact CE2-CG 4.31Å; Y153-P158 WeakPolarHBondContact O-CD 3.46Å
154L96.3Very high96.1Very high0 Ų057 Ų570%027%0.266CS..Hα-helixtrans-61.5-29.6-176.1-69.2173.5000113.6Y53 F67 L77 H80 I81 L84 T150 H151 G156 P158 F159Y53-L154 HydrophobicContact CE2-CB 3.99Å; Y53-L154 WeakPolarHBondContact OH-CB 3.35Å; F67-L154 HydrophobicContact CZ-CB 4.38Å; F67-L154 HydrophobicContact CZ-CD2 4.4Å; L77-L154 HydrophobicContact CD2-CD2 4.31Å; H80-L154 HydrophobicContact CB-CD1 4.49Å; H80-L154 HydrophobicContact CB-CD2 4.2Å; I81-L154 HydrophobicContact CD1-CD1 4.17Å; L84-L154 HydrophobicContact CD1-CD1 3.88Å; T150-L154 HydrophobicContact CG2-CD1 4.06Å; T150-L154 WeakPolarHBondContact O-CG 3.33Å; T150-L154 PolarHBondContact O-N 3.32Å; H151-L154 PolarHBondContact O-N 2.95Å; L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 2.81Å; L154-P158 HydrophobicContact CD2-CB 4.49Å; L154-F159 WeakPolarHBondContact O-CB 3.37Å; L154-F159 PolarHBondContact O-N 2.97Å
155R96.5Very high96.1Very high149 Ų14953 Ų5356%0.56225%0.249SC*.THydrogen-bonded Turntrans-75.7-8.6175.769.3180-74.1-174-1.5114.8Y53 H151 N152 Y153Y53-R155 HydrophobicContact CD1-CB 3.56Å; Y53-R155 HydrophobicContact CD2-CB 4.14Å; Y53-R155 HydrophobicContact CE1-CB 4.23Å; Y53-R155 HydrophobicContact CG-CB 3.49Å; Y53-R155 VanDerWaalsContact CG-CB 3.49Å; H151-R155 WeakPolarHBondContact O-CB 3.2Å; H151-R155 WeakPolarHBondContact O-CG 3.02Å; H151-R155 PolarHBondContact O-N 3.03Å; N152-R155 WeakPolarHBondContact O-CG 3.21Å; Y153-R155 PolarHBondContact O-N 3.28Å
156G95.9Very high96.1Very high29 Ų2953.8 Ų53.830%0.29926%0.263SS..SBendtrans-87.8-130.7178.600000111.8Y153 L154 P158 F159 E160Y153-G156 PolarHBondContact O-N 2.87Å; L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 2.81Å; G156-P158 VanDerWaalsContact C-CD 3.4Å; G156-P158 VanDerWaalsContact C-N 3.34Å; G156-F159 WeakPolarHBondContact O-CB 3.47Å; G156-F159 PolarHBondContact O-N 2.87Å; G156-E160 PolarHBondContact O-N 3.46Å
157E95.8Very high96.1Very high131 Ų13156.7 Ų56.761%0.61227%0.274SS*.Hα-helixtrans-48.5-43.5179.6-176.9-179.1-166.600113.9F159 E160 E161E157-F159 PolarHBondContact O-N 2.81Å; E157-E160 PolarHBondContact O-N 3.01Å; E157-E160 VanDerWaalsContact O-N 3.12Å; E157-E161 HydrophobicContact CG-CG 4.34Å; E157-E161 WeakPolarHBondContact O-CG 3.36Å; E157-E161 PolarHBondContact O-N 3.42Å
158P96.9Very high96.2Very high2 Ų255.5 Ų55.51%0.01327%0.266CS..Hα-helixtrans-59-33.7178.3-25.636.3000114F70 L77 Y153 L154 G156 Y162F70-P158 WeakPolarHBondContact CE1-O 3.43Å; L77-P158 HydrophobicContact CD1-CB 4.03Å; L77-P158 HydrophobicContact CD2-CB 3.77Å; L77-P158 HydrophobicContact CD2-CG 3.68Å; Y153-P158 HydrophobicContact CD1-CG 4.38Å; Y153-P158 HydrophobicContact CE1-CG 3.88Å; Y153-P158 HydrophobicContact CE2-CG 4.31Å; Y153-P158 WeakPolarHBondContact O-CD 3.46Å; L154-P158 HydrophobicContact CD2-CB 4.49Å; G156-P158 VanDerWaalsContact C-CD 3.4Å; G156-P158 VanDerWaalsContact C-N 3.34Å; P158-Y162 WeakPolarHBondContact O-CB 3.31Å; P158-Y162 PolarHBondContact O-N 3.15Å
159F97.6Very high96.2Very high12 Ų1250.5 Ų50.55%0.05325%0.25CS..Hα-helixtrans-74.9-38.1177.5178.9-122.5000111.8R51 Y53 L56 C57 L154 G156 E157 Y162 Q163R51-F159 WeakPolarHBondContact O-CE1 3.32Å; Y53-F159 HydrophobicContact CD2-CB 4.15Å; Y53-F159 AromaticContact CD2-CD2 3.92Å; Y53-F159 HydrophobicContact CD2-CD2 3.92Å; Y53-F159 HydrophobicContact CD2-CG 4.03Å; L56-F159 HydrophobicContact CB-CE2 4.48Å; L56-F159 HydrophobicContact CD1-CE2 4.41Å; L56-F159 HydrophobicContact CD1-CZ 4.11Å; C57-F159 VanDerWaalsContact SG-CD2 3.56Å; C57-F159 WeakPolarHBondContact SG-CE2 3.29Å; L154-F159 WeakPolarHBondContact O-CB 3.37Å; L154-F159 PolarHBondContact O-N 2.97Å; G156-F159 WeakPolarHBondContact O-CB 3.47Å; G156-F159 PolarHBondContact O-N 2.87Å; E157-F159 PolarHBondContact O-N 2.81Å; F159-Y162 AromaticContact CD2-CD1 3.98Å; F159-Y162 HydrophobicContact CD2-CD1 3.98Å; F159-Y162 HydrophobicContact CE2-CD1 4.1Å; F159-Y162 HydrophobicContact CE2-CE1 4.47Å; F159-Y162 WeakPolarHBondContact O-CB 3.48Å; F159-Y162 PolarHBondContact O-N 3.34Å; F159-Q163 HydrophobicContact CD2-CG 4.48Å; F159-Q163 HydrophobicContact CE2-CG 4.15Å; F159-Q163 HydrophobicContact CZ-CG 4.17Å; F159-Q163 WeakPolarHBondContact O-CG 3.4Å; F159-Q163 PolarHBondContact O-N 2.9Å
160E96.7Very high96.2Very high127 Ų12751 Ų5159%0.59325%0.252SS*.Hα-helixtrans-62.8-45.7174.6-64.6-177.4173.300111.2G156 E157 Y162 Q163 E164G156-E160 PolarHBondContact O-N 3.46Å; E157-E160 PolarHBondContact O-N 3.01Å; E157-E160 VanDerWaalsContact O-N 3.12Å; E160-Y162 VanDerWaalsContact C-N 3.31Å; E160-Y162 PolarHBondContact O-N 3.32Å; E160-Q163 WeakPolarHBondContact O-CB 3.1Å; E160-Q163 PolarHBondContact O-N 3.45Å; E160-Q163 VanDerWaalsContact O-N 3.15Å; E160-E164 PolarHBondContact O-N 3.1Å
161E97.6Very high96.2Very high73 Ų7351 Ų5134%0.34125%0.252SS..Hα-helixtrans-62.3-38.6175.1-67.3-177.6122.200112.3F70 K74 E157 Q163 E164 S165F70-E161 HydrophobicContact CZ-CB 3.8Å; K74-E161 IonicContact NZ-OE1 3.54Å; K74-E161 PolarHBondContact NZ-OE1 3.36Å; K74-E161 IonicContact NZ-OE2 3.45Å; K74-E161 PolarHBondContact NZ-OE2 2.99Å; E157-E161 HydrophobicContact CG-CG 4.34Å; E157-E161 WeakPolarHBondContact O-CG 3.36Å; E157-E161 PolarHBondContact O-N 3.42Å; E161-Q163 VanDerWaalsContact C-N 3.33Å; E161-Q163 PolarHBondContact O-N 3.12Å; E161-E164 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-N 2.94Å
162Y97.5Very high96.3Very high0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-60.2-44173.7166.1-112.2000111.2F67 F70 P158 F159 E160 E164 S165 F168F67-Y162 HydrophobicContact CB-CE2 4.31Å; F67-Y162 AromaticContact CD2-CD1 3.8Å; F67-Y162 HydrophobicContact CD2-CD1 3.8Å; F67-Y162 AromaticContact CD2-CD2 3.91Å; F67-Y162 HydrophobicContact CD2-CD2 3.91Å; F67-Y162 HydrophobicContact CD2-CE1 4.28Å; F67-Y162 HydrophobicContact CD2-CE2 4.4Å; F67-Y162 AromaticContact CD2-CG 3.58Å; F67-Y162 HydrophobicContact CD2-CG 3.58Å; F67-Y162 HydrophobicContact CE2-CD1 4.44Å; F67-Y162 HydrophobicContact CE2-CG 4.15Å; F70-Y162 HydrophobicContact CB-CD2 3.88Å; F70-Y162 HydrophobicContact CB-CE2 4.46Å; F70-Y162 HydrophobicContact CD1-CD2 4.13Å; F70-Y162 HydrophobicContact CD1-CG 4.4Å; F70-Y162 AromaticContact CG-CD2 3.95Å; F70-Y162 HydrophobicContact CG-CD2 3.95Å; P158-Y162 WeakPolarHBondContact O-CB 3.31Å; P158-Y162 PolarHBondContact O-N 3.15Å; F159-Y162 AromaticContact CD2-CD1 3.98Å; F159-Y162 HydrophobicContact CD2-CD1 3.98Å; F159-Y162 HydrophobicContact CE2-CD1 4.1Å; F159-Y162 HydrophobicContact CE2-CE1 4.47Å; F159-Y162 WeakPolarHBondContact O-CB 3.48Å; F159-Y162 PolarHBondContact O-N 3.34Å; E160-Y162 VanDerWaalsContact C-N 3.31Å; E160-Y162 PolarHBondContact O-N 3.32Å; Y162-E164 PolarHBondContact O-N 3.01Å; Y162-S165 VanDerWaalsContact O-CB 3.26Å; Y162-S165 WeakPolarHBondContact O-CB 3.25Å; Y162-S165 PolarHBondContact O-N 2.63Å; Y162-S165 PolarHBondContact O-OG 3.04Å; Y162-F168 HydrophobicContact CD1-CB 4.49Å; Y162-F168 HydrophobicContact CD1-CD2 4.18Å; Y162-F168 HydrophobicContact CD2-CB 4.49Å; Y162-F168 HydrophobicContact CE1-CB 4.25Å; Y162-F168 AromaticContact CE1-CD2 3.53Å; Y162-F168 HydrophobicContact CE1-CD2 3.53Å; Y162-F168 HydrophobicContact CE1-CE2 4.32Å; Y162-F168 HydrophobicContact CE1-CG 4.32Å; Y162-F168 HydrophobicContact CE2-CB 4.22Å; Y162-F168 AromaticContact CZ-CD2 3.88Å; Y162-F168 WeakPolarHBondContact O-CB 3.28Å
163Q96.1Very high96.4Very high20 Ų2047 Ų479%0.09323%0.231CC..Hα-helixtrans-61.7-30-179.9-72.1177.8-55.300112.9R46 F159 E160 E161 F168R46-Q163 PolarHBondContact NH2-O 3.31Å; F159-Q163 HydrophobicContact CD2-CG 4.48Å; F159-Q163 HydrophobicContact CE2-CG 4.15Å; F159-Q163 HydrophobicContact CZ-CG 4.17Å; F159-Q163 WeakPolarHBondContact O-CG 3.4Å; F159-Q163 PolarHBondContact O-N 2.9Å; E160-Q163 WeakPolarHBondContact O-CB 3.1Å; E160-Q163 PolarHBondContact O-N 3.45Å; E160-Q163 VanDerWaalsContact O-N 3.15Å; E161-Q163 VanDerWaalsContact C-N 3.33Å; E161-Q163 PolarHBondContact O-N 3.12Å; Q163-F168 HydrophobicContact CB-CD1 4.32Å; Q163-F168 HydrophobicContact CB-CE1 4.49Å; Q163-F168 HydrophobicContact CG-CE1 4.49Å; Q163-F168 HydrophobicContact CG-CE2 4.46Å; Q163-F168 HydrophobicContact CG-CZ 4.42Å; Q163-F168 WeakPolarHBondContact O-CD1 3.42Å
164E95.2Very high96.4Very high138 Ų13844.5 Ų44.565%0.64522%0.221SC*.Hα-helixtrans-86.8-4.7174.9-62.7-50.913100113.9R46 E160 E161 Y162R46-E164 IonicContact NH2-OE1 3.35Å; R46-E164 PolarHBondContact NH2-OE1 3.2Å; R46-E164 IonicContact NH2-OE2 2.96Å; R46-E164 PolarHBondContact NH2-OE2 2.99Å; E160-E164 PolarHBondContact O-N 3.1Å; E161-E164 PolarHBondContact O-N 3.3Å; Y162-E164 PolarHBondContact O-N 3.01Å
165S95.9Very high96.5Very high18 Ų1845 Ų4513%0.12622%0.223CC..SBendtrans-81.6165-178.881.40000114.5E161 Y162 Y167 F168 S169E161-S165 PolarHBondContact O-N 2.94Å; Y162-S165 VanDerWaalsContact O-CB 3.26Å; Y162-S165 WeakPolarHBondContact O-CB 3.25Å; Y162-S165 PolarHBondContact O-N 2.63Å; Y162-S165 PolarHBondContact O-OG 3.04Å; S165-Y167 PolarHBondContact O-N 2.81Å; S165-Y167 WeakPolarHBondContact OG-CB 3.35Å; S165-Y167 PolarHBondContact OG-N 3.47Å; S165-F168 PolarHBondContact O-N 3.16Å; S165-F168 PolarHBondContact OG-N 3.31Å; S165-S169 PolarHBondContact O-N 2.87Å; S165-S169 PolarHBondContact O-OG 3.36Å
166S94.9Very high96.5Very high89 Ų8940.8 Ų40.862%0.62221%0.207SC*.Hα-helixtrans-65.7-25.4169.758.20000112.9S169 Q170S166-S169 WeakPolarHBondContact O-CB 3.4Å; S166-S169 PolarHBondContact O-N 3.16Å; S166-Q170 PolarHBondContact O-N 2.86Å
167Y96Very high96.5Very high60 Ų6040.1 Ų40.124%0.23520%0.197CC..Hα-helixtrans-66.1-40.8176.3-63.9-84.4000111.6L66 Q69 F70 T73 S165 Q170 F171L66-Y167 HydrophobicContact CD2-CD1 4.5Å; Q69-Y167 HydrophobicContact CB-CD1 4.02Å; Q69-Y167 HydrophobicContact CB-CE1 3.73Å; F70-Y167 HydrophobicContact CB-CD2 3.72Å; F70-Y167 HydrophobicContact CB-CE2 4.2Å; F70-Y167 HydrophobicContact CB-CG 3.97Å; F70-Y167 HydrophobicContact CD2-CD2 4.02Å; F70-Y167 HydrophobicContact CD2-CE2 4.43Å; F70-Y167 HydrophobicContact CG-CD2 4.38Å; T73-Y167 HydrophobicContact CG2-CE2 4.15Å; T73-Y167 WeakPolarHBondContact CG2-OH 3.49Å; S165-Y167 PolarHBondContact O-N 2.81Å; S165-Y167 WeakPolarHBondContact OG-CB 3.35Å; S165-Y167 PolarHBondContact OG-N 3.47Å; Y167-Q170 WeakPolarHBondContact O-CB 3.27Å; Y167-Q170 PolarHBondContact O-N 2.83Å; Y167-F171 PolarHBondContact O-N 3.36Å
168F96.4Very high96.5Very high5 Ų534.3 Ų34.32%0.02217%0.17CC..Hα-helixtrans-69.1-37.3174.1-173.2-112.5000111.9I49 L56 Y162 Q163 S165 Q170 F171 L172I49-F168 HydrophobicContact CG2-CZ 4.17Å; L56-F168 HydrophobicContact CD1-CE2 3.85Å; L56-F168 HydrophobicContact CD1-CZ 4.34Å; Y162-F168 HydrophobicContact CD1-CB 4.49Å; Y162-F168 HydrophobicContact CD1-CD2 4.18Å; Y162-F168 HydrophobicContact CD2-CB 4.49Å; Y162-F168 HydrophobicContact CE1-CB 4.25Å; Y162-F168 AromaticContact CE1-CD2 3.53Å; Y162-F168 HydrophobicContact CE1-CD2 3.53Å; Y162-F168 HydrophobicContact CE1-CE2 4.32Å; Y162-F168 HydrophobicContact CE1-CG 4.32Å; Y162-F168 HydrophobicContact CE2-CB 4.22Å; Y162-F168 AromaticContact CZ-CD2 3.88Å; Y162-F168 WeakPolarHBondContact O-CB 3.28Å; Q163-F168 HydrophobicContact CB-CD1 4.32Å; Q163-F168 HydrophobicContact CB-CE1 4.49Å; Q163-F168 HydrophobicContact CG-CE1 4.49Å; Q163-F168 HydrophobicContact CG-CE2 4.46Å; Q163-F168 HydrophobicContact CG-CZ 4.42Å; Q163-F168 WeakPolarHBondContact O-CD1 3.42Å; S165-F168 PolarHBondContact O-N 3.16Å; S165-F168 PolarHBondContact OG-N 3.31Å; F168-Q170 VanDerWaalsContact C-N 3.26Å; F168-Q170 PolarHBondContact O-N 3.49Å; F168-F171 HydrophobicContact CD2-CB 4.46Å; F168-F171 AromaticContact CD2-CD1 3.95Å; F168-F171 HydrophobicContact CD2-CD1 3.95Å; F168-F171 AromaticContact CE2-CD1 3.74Å; F168-F171 HydrophobicContact CE2-CD1 3.74Å; F168-F171 HydrophobicContact CE2-CE1 4.18Å; F168-F171 WeakPolarHBondContact O-CB 3.48Å; F168-F171 PolarHBondContact O-N 3Å; F168-F171 VanDerWaalsContact O-N 3.1Å; F168-L172 HydrophobicContact CD1-CD1 4.14Å; F168-L172 HydrophobicContact CD1-CG 4.34Å; F168-L172 HydrophobicContact CE1-CD1 3.94Å; F168-L172 HydrophobicContact CE1-CD2 4.18Å; F168-L172 HydrophobicContact CE1-CG 4.13Å; F168-L172 HydrophobicContact CZ-CD2 4.07Å; F168-L172 HydrophobicContact CZ-CG 4.41Å; F168-L172 WeakPolarHBondContact O-CG 3.21Å; F168-L172 PolarHBondContact O-N 3.28Å
169S95.6Very high96.4Very high20 Ų2040.7 Ų40.714%0.1419%0.194CC..Hα-helixtrans-59-40.2171.9-57.90000111.6S165 S166 L172 Q173S165-S169 PolarHBondContact O-N 2.87Å; S165-S169 PolarHBondContact O-OG 3.36Å; S166-S169 WeakPolarHBondContact O-CB 3.4Å; S166-S169 PolarHBondContact O-N 3.16Å; S169-L172 PolarHBondContact O-N 3.2Å; S169-Q173 PolarHBondContact O-N 2.9Å; S169-Q173 VanDerWaalsContact O-N 3.17Å
170Q95.6Very high96.3Very high30 Ų3043.6 Ų43.614%0.1421%0.207CC..Hα-helixtrans-65.9-40173.2-178.1167.562.500112.5L66 S166 Y167 F168 L172 Q173 W174 N526L66-Q170 HydrophobicContact CD1-CG 4.34Å; L66-Q170 HydrophobicContact CD2-CG 4.2Å; S166-Q170 PolarHBondContact O-N 2.86Å; Y167-Q170 WeakPolarHBondContact O-CB 3.27Å; Y167-Q170 PolarHBondContact O-N 2.83Å; F168-Q170 VanDerWaalsContact C-N 3.26Å; F168-Q170 PolarHBondContact O-N 3.49Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 3.37Å; Q170-Q173 WeakPolarHBondContact O-CB 3.36Å; Q170-Q173 PolarHBondContact O-N 3.29Å; Q170-W174 VanDerWaalsContact O-CD1 3.25Å; Q170-W174 PolarHBondContact O-N 2.93Å; Q170-W174 VanDerWaalsContact O-N 3.1Å; Q170-N526 PolarHBondContact OE1-ND2 3.06Å
171F96.9Very high96.2Very high1 Ų142.7 Ų42.70%0.00421%0.213CC..Hα-helixtrans-58.2-41.4173.1172.8-106.6000111.5I49 L56 I62 L66 Y167 F168 Q173 W174 K175I49-F171 HydrophobicContact CD1-CD1 4.41Å; I49-F171 HydrophobicContact CD1-CE1 3.58Å; I49-F171 HydrophobicContact CD1-CZ 4.35Å; L56-F171 HydrophobicContact CD1-CE1 4.4Å; L56-F171 HydrophobicContact CD2-CE1 4Å; L56-F171 HydrophobicContact CD2-CZ 4.02Å; I62-F171 HydrophobicContact CG2-CD2 4.35Å; L66-F171 HydrophobicContact CD1-CB 3.63Å; L66-F171 HydrophobicContact CD1-CD2 4.36Å; Y167-F171 PolarHBondContact O-N 3.36Å; F168-F171 HydrophobicContact CD2-CB 4.46Å; F168-F171 AromaticContact CD2-CD1 3.95Å; F168-F171 HydrophobicContact CD2-CD1 3.95Å; F168-F171 AromaticContact CE2-CD1 3.74Å; F168-F171 HydrophobicContact CE2-CD1 3.74Å; F168-F171 HydrophobicContact CE2-CE1 4.18Å; F168-F171 WeakPolarHBondContact O-CB 3.48Å; F168-F171 PolarHBondContact O-N 3Å; F168-F171 VanDerWaalsContact O-N 3.1Å; F171-Q173 VanDerWaalsContact C-N 3.34Å; F171-Q173 PolarHBondContact O-N 3Å; F171-W174 WeakPolarHBondContact O-CB 3.41Å; F171-W174 PolarHBondContact O-N 2.97Å; F171-K175 HydrophobicContact CD1-CG 4.26Å; F171-K175 HydrophobicContact CE1-CG 3.8Å; F171-K175 HydrophobicContact CE2-CD 4.43Å; F171-K175 HydrophobicContact CE2-CG 4.05Å; F171-K175 HydrophobicContact CZ-CD 4.14Å; F171-K175 VanDerWaalsContact CZ-CE 3.47Å; F171-K175 HydrophobicContact CZ-CG 3.69Å; F171-K175 PolarHBondContact O-N 3.49Å
172L97.1Very high96.2Very high3 Ų340.2 Ų40.22%0.01620%0.202CC..Hα-helixtrans-65-35.3176.8-64176.5000112.9C42 L45 R46 I49 F168 S169 Q170 K175 W176C42-L172 HydrophobicContact CB-CB 3.95Å; L45-L172 HydrophobicContact CB-CD2 4.44Å; R46-L172 HydrophobicContact CB-CD1 3.65Å; R46-L172 HydrophobicContact CG-CD1 3.83Å; I49-L172 HydrophobicContact CD1-CD2 3.94Å; I49-L172 HydrophobicContact CG2-CD2 4.16Å; F168-L172 HydrophobicContact CD1-CD1 4.14Å; F168-L172 HydrophobicContact CD1-CG 4.34Å; F168-L172 HydrophobicContact CE1-CD1 3.94Å; F168-L172 HydrophobicContact CE1-CD2 4.18Å; F168-L172 HydrophobicContact CE1-CG 4.13Å; F168-L172 HydrophobicContact CZ-CD2 4.07Å; F168-L172 HydrophobicContact CZ-CG 4.41Å; F168-L172 WeakPolarHBondContact O-CG 3.21Å; F168-L172 PolarHBondContact O-N 3.28Å; S169-L172 PolarHBondContact O-N 3.2Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 3.37Å; L172-K175 PolarHBondContact O-N 3.15Å; L172-W176 WeakPolarHBondContact O-CB 3.46Å; L172-W176 PolarHBondContact O-N 3.25Å
173Q97.3Very high96.1Very high24 Ų2443.1 Ų43.111%0.11222%0.22CC..Hα-helixtrans-63.1-42.1172.3-65.5174.2-62.400111.4L36 P37 S169 Q170 F171 W176 L177L36-Q173 HydrophobicContact CB-CB 4.28Å; L36-Q173 HydrophobicContact CD2-CB 3.77Å; L36-Q173 HydrophobicContact CG-CB 4.45Å; P37-Q173 HydrophobicContact CG-CB 4.26Å; P37-Q173 HydrophobicContact CG-CG 4.36Å; P37-Q173 PolarHBondContact O-NE2 2.72Å; S169-Q173 PolarHBondContact O-N 2.9Å; S169-Q173 VanDerWaalsContact O-N 3.17Å; Q170-Q173 WeakPolarHBondContact O-CB 3.36Å; Q170-Q173 PolarHBondContact O-N 3.29Å; F171-Q173 VanDerWaalsContact C-N 3.34Å; F171-Q173 PolarHBondContact O-N 3Å; Q173-W176 PolarHBondContact O-N 3.27Å; Q173-L177 PolarHBondContact O-N 3.38Å; Q173-L177 VanDerWaalsContact O-N 3.11Å
174W97.6Very high96.1Very high3 Ų348.5 Ų48.51%0.01124%0.243CC..Hα-helixtrans-64.1-39.8173.7-79.8104.9000112.3L36 I62 Q170 F171 W176 L177 E178 W512 M516 F522 I525 N526L36-W174 HydrophobicContact CD2-CD2 4.06Å; L36-W174 HydrophobicContact CD2-CG 4.24Å; L36-W174 HydrophobicContact CD2-CZ2 4.49Å; I62-W174 HydrophobicContact CD1-CB 4.46Å; I62-W174 HydrophobicContact CD1-CD2 3.94Å; I62-W174 HydrophobicContact CD1-CE3 3.77Å; I62-W174 HydrophobicContact CD1-CG 4.23Å; I62-W174 HydrophobicContact CD1-CZ3 4.37Å; I62-W174 HydrophobicContact CG2-CB 4.1Å; I62-W174 HydrophobicContact CG2-CG 3.98Å; Q170-W174 VanDerWaalsContact O-CD1 3.25Å; Q170-W174 PolarHBondContact O-N 2.93Å; Q170-W174 VanDerWaalsContact O-N 3.1Å; F171-W174 WeakPolarHBondContact O-CB 3.41Å; F171-W174 PolarHBondContact O-N 2.97Å; W174-W176 VanDerWaalsContact C-N 3.35Å; W174-L177 HydrophobicContact CE3-CD1 4.36Å; W174-L177 HydrophobicContact CZ3-CD1 4.4Å; W174-L177 WeakPolarHBondContact O-CB 3.43Å; W174-L177 PolarHBondContact O-N 3.19Å; W174-E178 PolarHBondContact O-N 3.34Å; W174-W512 AromaticContact CE3-CH2 3.87Å; W174-W512 HydrophobicContact CE3-CH2 3.87Å; W174-W512 HydrophobicContact CE3-CZ3 4.12Å; W174-W512 HydrophobicContact CZ3-CH2 4.26Å; W174-M516 HydrophobicContact CZ3-CB 4.18Å; W174-M516 HydrophobicContact CZ3-CG 4.01Å; W174-M516 HydrophobicContact CZ3-SD 4.3Å; W174-F522 HydrophobicContact CD2-CD2 4.12Å; W174-F522 HydrophobicContact CD2-CE2 4.49Å; W174-F522 AromaticContact CE2-CD2 3.48Å; W174-F522 VanDerWaalsContact CE2-CD2 3.48Å; W174-F522 AromaticContact CE2-CE2 3.85Å; W174-F522 HydrophobicContact CH2-CB 4.28Å; W174-F522 HydrophobicContact CH2-CD2 4.15Å; W174-F522 HydrophobicContact CZ2-CB 4.3Å; W174-F522 AromaticContact CZ2-CD2 3.51Å; W174-F522 HydrophobicContact CZ2-CD2 3.51Å; W174-F522 HydrophobicContact CZ2-CE2 4.25Å; W174-F522 HydrophobicContact CZ2-CG 4.28Å; W174-F522 AromaticContact NE1-CD2 3.69Å; W174-F522 AromaticContact NE1-CE2 3.54Å; W174-I525 HydrophobicContact CH2-CB 4.17Å; W174-I525 HydrophobicContact CH2-CD1 3.75Å; W174-I525 HydrophobicContact CH2-CG2 4.31Å; W174-I525 HydrophobicContact CZ2-CB 4.04Å; W174-I525 HydrophobicContact CZ2-CD1 4.45Å; W174-I525 HydrophobicContact CZ2-CG2 3.94Å; W174-N526 VanDerWaalsContact CZ2-OD1 3.28Å; W174-N526 WeakPolarHBondContact CZ2-OD1 3.41Å; W174-N526 PolarHBondContact NE1-OD1 3.27Å
175K96.8Very high96.1Very high10 Ų1046.9 Ų46.94%0.04324%0.239CC..Hα-helixtrans-65.9-35.7174.3-79-54.8-160.9178.30113.8L45 I49 F171 L172 L177 E178 R179 S509 Q513L45-K175 HydrophobicContact CD2-CB 4Å; I49-K175 HydrophobicContact CD1-CG 4.08Å; F171-K175 HydrophobicContact CD1-CG 4.26Å; F171-K175 HydrophobicContact CE1-CG 3.8Å; F171-K175 HydrophobicContact CE2-CD 4.43Å; F171-K175 HydrophobicContact CE2-CG 4.05Å; F171-K175 HydrophobicContact CZ-CD 4.14Å; F171-K175 VanDerWaalsContact CZ-CE 3.47Å; F171-K175 HydrophobicContact CZ-CG 3.69Å; F171-K175 PolarHBondContact O-N 3.49Å; L172-K175 PolarHBondContact O-N 3.15Å; K175-L177 VanDerWaalsContact C-N 3.33Å; K175-E178 IonicContact NZ-OE1 2.66Å; K175-E178 PolarHBondContact NZ-OE1 2.7Å; K175-E178 IonicContact NZ-OE2 2.66Å; K175-E178 PolarHBondContact NZ-OE2 2.87Å; K175-E178 WeakPolarHBondContact O-CB 3.29Å; K175-E178 PolarHBondContact O-N 3.14Å; K175-R179 WeakPolarHBondContact O-CG 3.45Å; K175-R179 PolarHBondContact O-N 3.4Å; K175-R179 VanDerWaalsContact O-N 3.08Å; K175-S509 PolarHBondContact NZ-OG 3.03Å; K175-Q513 VanDerWaalsContact NZ-NE2 3.13Å
176W96.5Very high96.2Very high62 Ų6247.9 Ų47.924%0.23524%0.244CC..Hα-helixtrans-64-41.3173.5-175.7100.8000111.3P37 L45 L172 Q173 W174 R179 Q180P37-W176 HydrophobicContact CB-CD2 3.9Å; P37-W176 HydrophobicContact CB-CE3 3.89Å; P37-W176 HydrophobicContact CB-CG 4.37Å; P37-W176 HydrophobicContact CB-CZ3 4.2Å; P37-W176 HydrophobicContact CG-CB 3.87Å; P37-W176 HydrophobicContact CG-CD2 3.59Å; P37-W176 HydrophobicContact CG-CE3 3.56Å; P37-W176 HydrophobicContact CG-CG 3.73Å; P37-W176 HydrophobicContact CG-CZ3 4.32Å; L45-W176 HydrophobicContact CD2-CB 4.13Å; L172-W176 WeakPolarHBondContact O-CB 3.46Å; L172-W176 PolarHBondContact O-N 3.25Å; Q173-W176 PolarHBondContact O-N 3.27Å; W174-W176 VanDerWaalsContact C-N 3.35Å; W176-R179 PolarHBondContact O-N 3.43Å; W176-Q180 VanDerWaalsContact CE2-NE2 3.27Å; W176-Q180 HydrophobicContact CE3-CG 4.14Å; W176-Q180 VanDerWaalsContact CH2-CD 3.45Å; W176-Q180 HydrophobicContact CH2-CG 4.25Å; W176-Q180 VanDerWaalsContact CZ2-NE2 3.28Å; W176-Q180 HydrophobicContact CZ3-CG 3.83Å; W176-Q180 PolarHBondContact O-N 3.43Å; W176-Q180 PolarHBondContact O-NE2 2.86Å
177L96.2Very high96.3Very high14 Ų1443.8 Ų43.87%0.07322%0.215CC..Hα-helixtrans-63.6-42.8173.9-82.1-179000112.4T35 L36 Q173 W174 K175 R179 Q180 W512T35-L177 WeakPolarHBondContact O-CD2 3.42Å; L36-L177 HydrophobicContact CD2-CD1 3.48Å; L36-L177 VanDerWaalsContact CD2-CD1 3.48Å; L36-L177 HydrophobicContact CD2-CG 4.25Å; L36-L177 HydrophobicContact CG-CD1 4.24Å; Q173-L177 PolarHBondContact O-N 3.38Å; Q173-L177 VanDerWaalsContact O-N 3.11Å; W174-L177 HydrophobicContact CE3-CD1 4.36Å; W174-L177 HydrophobicContact CZ3-CD1 4.4Å; W174-L177 WeakPolarHBondContact O-CB 3.43Å; W174-L177 PolarHBondContact O-N 3.19Å; K175-L177 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 3.17Å; L177-Q180 WeakPolarHBondContact O-CB 3.44Å; L177-Q180 WeakPolarHBondContact O-CG 3.37Å; L177-Q180 PolarHBondContact O-N 2.82Å; L177-W512 HydrophobicContact CB-CH2 3.99Å; L177-W512 HydrophobicContact CB-CZ2 4.24Å
178E96.5Very high96.3Very high10 Ų1044.4 Ų44.45%0.04722%0.217CC..Hα-helixtrans-57.7-38.4176.8-172-169.693.600111.5W174 K175 Q180 C507 S509 W512 Q513W174-E178 PolarHBondContact O-N 3.34Å; K175-E178 IonicContact NZ-OE1 2.66Å; K175-E178 PolarHBondContact NZ-OE1 2.7Å; K175-E178 IonicContact NZ-OE2 2.66Å; K175-E178 PolarHBondContact NZ-OE2 2.87Å; K175-E178 WeakPolarHBondContact O-CB 3.29Å; K175-E178 PolarHBondContact O-N 3.14Å; E178-Q180 VanDerWaalsContact C-N 3.3Å; E178-Q180 PolarHBondContact O-N 3.32Å; E178-C507 HydrophobicContact CG-CB 4.18Å; E178-C507 WeakPolarHBondContact O-CB 3.48Å; E178-C507 PolarHBondContact O-SG 3.41Å; E178-S509 WeakPolarHBondContact OE1-CB 3.44Å; E178-S509 PolarHBondContact OE1-OG 2.83Å; E178-S509 WeakPolarHBondContact OE2-CA 3.31Å; E178-S509 WeakPolarHBondContact OE2-CB 3.27Å; E178-W512 HydrophobicContact CB-CD2 4.16Å; E178-W512 HydrophobicContact CB-CE3 3.85Å; E178-W512 HydrophobicContact CB-CH2 3.99Å; E178-W512 HydrophobicContact CB-CZ2 4.28Å; E178-W512 HydrophobicContact CB-CZ3 3.76Å; E178-W512 HydrophobicContact CG-CD2 3.91Å; E178-W512 HydrophobicContact CG-CE3 3.76Å; E178-W512 HydrophobicContact CG-CG 4.3Å; E178-W512 HydrophobicContact CG-CZ3 4.2Å; E178-Q513 PolarHBondContact OE2-NE2 3.25Å
179R94.6Very high96.2Very high136 Ų13647.7 Ų47.751%0.51323%0.233SC..THydrogen-bonded Turntrans-81.81.5-178.7-71-174.5178.6178.6-0.6114.7K175 W176 L177K175-R179 WeakPolarHBondContact O-CG 3.45Å; K175-R179 PolarHBondContact O-N 3.4Å; K175-R179 VanDerWaalsContact O-N 3.08Å; W176-R179 PolarHBondContact O-N 3.43Å; L177-R179 PolarHBondContact O-N 3.17Å
180Q95.1Very high96.2Very high72 Ų7249.5 Ų49.534%0.33624%0.237SC..SBendtrans-67.4146.4177.4-65.6-53.7-62.700111.8W176 L177 E178 V182W176-Q180 VanDerWaalsContact CE2-NE2 3.27Å; W176-Q180 HydrophobicContact CE3-CG 4.14Å; W176-Q180 VanDerWaalsContact CH2-CD 3.45Å; W176-Q180 HydrophobicContact CH2-CG 4.25Å; W176-Q180 VanDerWaalsContact CZ2-NE2 3.28Å; W176-Q180 HydrophobicContact CZ3-CG 3.83Å; W176-Q180 PolarHBondContact O-N 3.43Å; W176-Q180 PolarHBondContact O-NE2 2.86Å; L177-Q180 WeakPolarHBondContact O-CB 3.44Å; L177-Q180 WeakPolarHBondContact O-CG 3.37Å; L177-Q180 PolarHBondContact O-N 2.82Å; E178-Q180 VanDerWaalsContact C-N 3.3Å; E178-Q180 PolarHBondContact O-N 3.32Å; Q180-V182 PolarHBondContact O-N 3.41Å
181P94.6Very high96Very high109 Ų10948.7 Ų48.771%0.70823%0.232SC*.PPolyproline II helixtrans-58.5132.2-177.7-25.534.2000113.3
182V96.9Very high95.7Very high20 Ų2049.9 Ų49.912%0.12124%0.24CC..PPolyproline II helixtrans-94.7125175.9-177.50000109.3Q180 F187 Y252 Y254 C507Q180-V182 PolarHBondContact O-N 3.41Å; V182-F187 HydrophobicContact CG1-CE2 3.69Å; V182-F187 HydrophobicContact CG1-CZ 3.93Å; V182-Y252 HydrophobicContact CG1-CD1 4.05Å; V182-Y252 HydrophobicContact CG2-CD1 3.85Å; V182-Y252 HydrophobicContact CG2-CE1 4.44Å; V182-Y254 HydrophobicContact CG1-CD1 4.06Å; V182-Y254 HydrophobicContact CG1-CG 4.07Å; V182-C507 VanDerWaalsContact CG2-SG 3.5Å
183T96Very high95.5Very high62 Ų6251.6 Ų51.638%0.3825%0.249SC..  trans-129174.5176.771.40000111.5N185 T186T183-N185 PolarHBondContact O-N 3.5Å; T183-N185 PolarHBondContact OG1-N 3.01Å; T183-T186 PolarHBondContact N-OG1 2.78Å; T183-T186 VanDerWaalsContact N-OG1 3.15Å; T183-T186 VanDerWaalsContact O-CB 3.26Å; T183-T186 WeakPolarHBondContact O-CB 3.21Å; T183-T186 PolarHBondContact O-N 3.2Å; T183-T186 PolarHBondContact O-OG1 2.9Å
184K95.5Very high95.1Very high133 Ų13351.6 Ų51.658%0.57826%0.255SS*.G310 helixtrans-52.5-25.8170.971.3178.6-176.7179.40113.7T186 F187 Y254 T256K184-T186 VanDerWaalsContact C-N 3.25Å; K184-T186 PolarHBondContact O-N 3.01Å; K184-F187 PolarHBondContact O-N 3.2Å; K184-Y254 HydrophobicContact CB-CE2 4.5Å; K184-T256 HydrophobicContact CB-CG2 4.32Å
185N96.1Very high94.5Very high104 Ų10454.8 Ų54.856%0.55627%0.269SS*.G310 helixtrans-75.9-14.9-178.3-65.8-25.9000112.8T183 F187 R207T183-N185 PolarHBondContact O-N 3.5Å; T183-N185 PolarHBondContact OG1-N 3.01Å; N185-F187 PolarHBondContact O-N 2.97Å; N185-R207 WeakPolarHBondContact O-CD 3.35Å; N185-R207 PolarHBondContact O-NE 3.21Å; N185-R207 VanDerWaalsContact O-NE 3.15Å
186T97.6Very high93.9Very high39 Ų3955.2 Ų55.224%0.23928%0.276CS..G310 helixtrans-64.8-27.5173.9-40.60000111.3T183 K184 R207T183-T186 PolarHBondContact N-OG1 2.78Å; T183-T186 VanDerWaalsContact N-OG1 3.15Å; T183-T186 VanDerWaalsContact O-CB 3.26Å; T183-T186 WeakPolarHBondContact O-CB 3.21Å; T183-T186 PolarHBondContact O-N 3.2Å; T183-T186 PolarHBondContact O-OG1 2.9Å; K184-T186 VanDerWaalsContact C-N 3.25Å; K184-T186 PolarHBondContact O-N 3.01Å; T186-R207 WeakPolarHBondContact O-CB 3.38Å; T186-R207 WeakPolarHBondContact O-CG 3.43Å; T186-R207 PolarHBondContact O-N 2.62Å
187F97.6Very high93.2Very high2 Ų254.4 Ų54.41%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-114.7157.7-169-51.5-79000113.2V182 K184 N185 C204 Q205 V206 R207 Y252 Y254 V263V182-F187 HydrophobicContact CG1-CE2 3.69Å; V182-F187 HydrophobicContact CG1-CZ 3.93Å; K184-F187 PolarHBondContact O-N 3.2Å; N185-F187 PolarHBondContact O-N 2.97Å; F187-C204 HydrophobicContact CB-CB 4.42Å; F187-Q205 CarbonylContact C-O 3.51Å; F187-Q205 VanDerWaalsContact CA-O 3.29Å; F187-Q205 WeakPolarHBondContact CA-O 3.49Å; F187-V206 HydrophobicContact CD1-CG2 3.91Å; F187-V206 HydrophobicContact CE1-CG2 3.65Å; F187-R207 PolarHBondContact O-NE 3.41Å; F187-R207 PolarHBondContact O-NH2 2.96Å; F187-Y252 AromaticContact CE1-CD2 3.92Å; F187-Y252 HydrophobicContact CE1-CD2 3.92Å; F187-Y252 HydrophobicContact CE1-CE2 4.09Å; F187-Y252 HydrophobicContact CE1-CG 4.3Å; F187-Y252 HydrophobicContact CZ-CD1 4.15Å; F187-Y252 AromaticContact CZ-CD2 3.86Å; F187-Y252 HydrophobicContact CZ-CD2 3.86Å; F187-Y252 HydrophobicContact CZ-CE2 4.34Å; F187-Y252 AromaticContact CZ-CG 3.76Å; F187-Y252 HydrophobicContact CZ-CG 3.76Å; F187-Y254 AromaticContact CD2-CE1 3.85Å; F187-Y254 HydrophobicContact CD2-CE1 3.85Å; F187-Y254 AromaticContact CD2-CZ 3.85Å; F187-Y254 AromaticContact CE2-CD1 3.81Å; F187-Y254 HydrophobicContact CE2-CD1 3.81Å; F187-Y254 AromaticContact CE2-CE1 3.36Å; F187-Y254 HydrophobicContact CE2-CE1 3.36Å; F187-Y254 AromaticContact CE2-CZ 3.81Å; F187-Y254 HydrophobicContact CZ-CD1 4.45Å; F187-Y254 HydrophobicContact CZ-CE1 4.14Å; F187-V263 HydrophobicContact CE1-CG1 4.05Å; F187-V263 HydrophobicContact CE1-CG2 4.05Å; F187-V263 HydrophobicContact CE2-CG2 4.22Å; F187-V263 HydrophobicContact CZ-CG2 3.77Å
188R96.3Very high92.9Very high74 Ų7455 Ų5528%0.27929%0.289SS..EExtended strand (participates in β ladder)trans-110.4131.9157-56.4-175-172.1113.9-0.1107.3G25 Y190 C204 Q205 R207G25-R188 PolarHBondContact O-NH1 2.85Å; R188-Y190 HydrophobicContact CB-CE2 4.35Å; R188-C204 CarbonylContact O-C 3.51Å; R188-C204 WeakPolarHBondContact O-CA 3.32Å; R188-C204 WeakPolarHBondContact O-CB 3.38Å; R188-Q205 PolarHBondContact N-O 2.85Å; R188-Q205 PolarHBondContact O-N 3.18Å; R188-R207 HydrophobicContact CG-CG 3.71Å
189H94.9Very high92.6Very high74 Ų7454.7 Ų54.734%0.34329%0.288SS..EExtended strand (participates in β ladder)trans-98.3147.3177.3-69.6-91.8000110.8C202H189-C202 PolarHBondContact ND1-SG 2.95Å
190Y94.2Very high92.5Very high58 Ų5851.3 Ų51.323%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-121.1-152.8176.4-61.5-89.8000108.9L11 A15 R188 A203 Q205 M212L11-Y190 HydrophobicContact CB-CD1 4.43Å; A15-Y190 HydrophobicContact CB-CD1 4.33Å; A15-Y190 HydrophobicContact CB-CE1 3.64Å; A15-Y190 HydrophobicContact CB-CE2 4.23Å; R188-Y190 HydrophobicContact CB-CE2 4.35Å; Y190-A203 PolarHBondContact N-O 3.2Å; Y190-Q205 HydrophobicContact CE2-CB 3.67Å; Y190-Q205 PolarHBondContact OH-OE1 2.92Å; Y190-M212 HydrophobicContact CD2-CE 4.16Å; Y190-M212 HydrophobicContact CE2-CE 4.23Å; Y190-M212 HydrophobicContact CE2-SD 4.2Å
191R91Very high92.5Very high12 Ų1249.5 Ų49.55%0.04527%0.272CS..EExtended strand (participates in β ladder)trans-64.7155.4-176.668.5165.8-83.6145.4-2.6113.7N5 A8 N9 L12 L193 C202 A203 C475 K476 V478N5-R191 PolarHBondContact OD1-NH1 3.47Å; A8-R191 HydrophobicContact CB-CB 3.95Å; N9-R191 VanDerWaalsContact OD1-CD 3.27Å; N9-R191 WeakPolarHBondContact OD1-CD 3.46Å; N9-R191 PolarHBondContact OD1-NH1 3.42Å; L12-R191 HydrophobicContact CB-CG 4.24Å; L12-R191 HydrophobicContact CD2-CG 3.76Å; R191-L193 HydrophobicContact CG-CD2 4.38Å; R191-C202 WeakPolarHBondContact O-CA 3.32Å; R191-C202 WeakPolarHBondContact O-CB 3.07Å; R191-A203 PolarHBondContact O-N 3.01Å; R191-C475 PolarHBondContact NH2-SG 3.31Å; R191-K476 PolarHBondContact NH2-O 3.28Å; R191-V478 HydrophobicContact CB-CG2 4.39Å
192V92.4Very high92.6Very high27 Ų2744.4 Ų44.416%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-67.5134.8166.8-177.60000108.7G194 E200 V201 I481V192-G194 WeakPolarHBondContact CG1-O 3.41Å; V192-E200 HydrophobicContact CG1-CB 4.2Å; V192-V201 WeakPolarHBondContact CG1-O 3.5Å; V192-I481 HydrophobicContact CB-CD1 4.21Å; V192-I481 HydrophobicContact CG1-CD1 3.81Å; V192-I481 HydrophobicContact CG1-CG2 4.24Å
193L91.1Very high92.5Very high39 Ų3943.5 Ų43.520%0.20423%0.234CC..EExtended strand (participates in β ladder)trans-100.2-32.3178.2-58.3178.3000111.1L12 R191 V201 A203 A214 C475L12-L193 HydrophobicContact CD2-CD2 4.15Å; R191-L193 HydrophobicContact CG-CD2 4.38Å; L193-V201 PolarHBondContact N-O 3.48Å; L193-A203 HydrophobicContact CD1-CB 4.12Å; L193-A203 HydrophobicContact CD2-CB 4.25Å; L193-A203 HydrophobicContact CG-CB 4.29Å; L193-A214 HydrophobicContact CD1-CB 4.45Å; L193-C475 WeakPolarHBondContact O-CB 3.42Å
194G88.9Confident92.6Very high23 Ų2340.5 Ų40.524%0.23722%0.215CC..EExtended strand (participates in β ladder)trans-174.4-177.5-17900000113.2V192 V201V192-G194 WeakPolarHBondContact CG1-O 3.41Å; G194-V201 PolarHBondContact N-O 3.15Å; G194-V201 PolarHBondContact O-N 3.49Å
195K86.1Confident92.6Very high70 Ų7034.5 Ų34.530%0.30419%0.189SC..EExtended strand (participates in β ladder)trans-127.6127-176.7-175.2-169.4-174.3172.60109.5I481 E482 F484K195-I481 HydrophobicContact CB-CG2 3.98Å; K195-E482 HydrophobicContact CD-CB 4.23Å; K195-E482 WeakPolarHBondContact CD-O 3.47Å; K195-E482 WeakPolarHBondContact CE-O 3.34Å; K195-E482 PolarHBondContact NZ-O 2.97Å; K195-E482 IonicContact NZ-OE2 2.93Å; K195-E482 PolarHBondContact NZ-OE2 3.35Å; K195-F484 HydrophobicContact CD-CE1 4.35Å; K195-F484 HydrophobicContact CD-CE2 4.04Å; K195-F484 HydrophobicContact CD-CZ 3.91Å; K195-F484 VanDerWaalsContact CE-CD1 3.47Å; K195-F484 HydrophobicContact CG-CD2 4.41Å; K195-F484 HydrophobicContact CG-CE2 3.52Å; K195-F484 HydrophobicContact CG-CZ 3.61Å
196G83.6Confident92.7Very high20 Ų2029.7 Ų29.721%0.20616%0.164CC..EExtended strand (participates in β ladder)trans-107.9-177.5174.700000112.3F198 G199 F484G196-F198 VanDerWaalsContact C-N 3.35Å; G196-F198 PolarHBondContact O-N 3.06Å; G196-G199 PolarHBondContact N-O 3.27Å; G196-G199 VanDerWaalsContact O-O 3.11Å; G196-F484 VanDerWaalsContact O-CZ 3.25Å; G196-F484 WeakPolarHBondContact O-CZ 3.09Å
197G83Confident92.6Very high44 Ų4432.6 Ų32.645%0.45417%0.17SC..THydrogen-bonded Turntrans-59.1-38.5-174.900000115.2R226G197-R226 PolarHBondContact O-NH1 3.44Å
198F88.6Confident92.5Very high27 Ų2732.8 Ų32.812%0.11817%0.172CC..THydrogen-bonded Turntrans-107.4-0.1-174.8-60.2-73.7000114.6G196 L218 Q219 R222 I223 R226 M231G196-F198 VanDerWaalsContact C-N 3.35Å; G196-F198 PolarHBondContact O-N 3.06Å; F198-L218 HydrophobicContact CB-CB 4.14Å; F198-L218 HydrophobicContact CB-CD2 3.94Å; F198-Q219 PolarHBondContact O-N 2.94Å; F198-R222 HydrophobicContact CD1-CG 4.41Å; F198-R222 WeakPolarHBondContact O-CD 3.3Å; F198-I223 HydrophobicContact CB-CG1 4.36Å; F198-I223 HydrophobicContact CD1-CG1 4.11Å; F198-I223 HydrophobicContact CG-CG1 4.3Å; F198-R226 HydrophobicContact CE1-CB 3.97Å; F198-M231 HydrophobicContact CE2-CG 4.42Å; F198-M231 HydrophobicContact CE2-SD 3.71Å; F198-M231 HydrophobicContact CZ-SD 4Å
199G90.8Very high92.4Very high3 Ų329.6 Ų29.63%0.03116%0.161CC..EExtended strand (participates in β ladder)trans165.2-151.1-178.400000112.9G196 K217 F484G196-G199 PolarHBondContact N-O 3.27Å; G196-G199 VanDerWaalsContact O-O 3.11Å; G199-K217 CarbonylContact C-O 3.53Å; G199-K217 VanDerWaalsContact CA-O 3.24Å; G199-K217 WeakPolarHBondContact CA-O 3.24Å; G199-F484 WeakPolarHBondContact O-CE2 3.5Å
200E93.1Very high92.3Very high66 Ų6626.7 Ų26.731%0.30815%0.151SC..EExtended strand (participates in β ladder)trans-112.9157.9-170.664.3180-156.700111.6V192 K217V192-E200 HydrophobicContact CG1-CB 4.2Å; E200-K217 HydrophobicContact CG-CB 4.34Å; E200-K217 HydrophobicContact CG-CD 4.3Å; E200-K217 PolarHBondContact N-O 2.91Å; E200-K217 PolarHBondContact O-N 3.34Å; E200-K217 IonicContact OE1-NZ 3.38Å; E200-K217 PolarHBondContact OE1-NZ 2.9Å
201V94.9Very high92.3Very high34 Ų3426.2 Ų26.221%0.20615%0.15CC..EExtended strand (participates in β ladder)trans-112.1127.6168.7-176.20000107.4V192 L193 G194 A214 C215 K216V192-V201 WeakPolarHBondContact CG1-O 3.5Å; L193-V201 PolarHBondContact N-O 3.48Å; G194-V201 PolarHBondContact N-O 3.15Å; G194-V201 PolarHBondContact O-N 3.49Å; V201-A214 HydrophobicContact CG1-CB 4.02Å; V201-C215 WeakPolarHBondContact CA-O 3.41Å; V201-K216 HydrophobicContact CG2-CB 4.14Å; V201-K216 HydrophobicContact CG2-CG 3.99Å
202C95.2Very high92.5Very high2 Ų226.8 Ų26.81%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-127.9152.817764.30000111.1H189 R191 A214 C215 K217H189-C202 PolarHBondContact ND1-SG 2.95Å; R191-C202 WeakPolarHBondContact O-CA 3.32Å; R191-C202 WeakPolarHBondContact O-CB 3.07Å; C202-A214 CarbonylContact O-C 3.57Å; C202-C215 PolarHBondContact N-O 3.43Å; C202-C215 PolarHBondContact O-N 3.17Å; C202-K217 WeakPolarHBondContact SG-CE 3.15Å
203A96.2Very high92.7Very high0 Ų025.8 Ų25.80%015%0.147CC..EExtended strand (participates in β ladder)trans-70140.4170.300000109.9L12 Y190 R191 L193 M212 I266L12-A203 HydrophobicContact CD1-CB 3.62Å; Y190-A203 PolarHBondContact N-O 3.2Å; R191-A203 PolarHBondContact O-N 3.01Å; L193-A203 HydrophobicContact CD1-CB 4.12Å; L193-A203 HydrophobicContact CD2-CB 4.25Å; L193-A203 HydrophobicContact CG-CB 4.29Å; A203-M212 HydrophobicContact CB-CE 4.31Å; A203-I266 HydrophobicContact CB-CD1 4.1Å
204C97.1Very high93.1Very high0 Ų024.5 Ų24.50%014%0.142CC..EExtended strand (participates in β ladder)trans-139.3164.8172.770.60000111.4F187 R188 M212 Y213 C215F187-C204 HydrophobicContact CB-CB 4.42Å; R188-C204 CarbonylContact O-C 3.51Å; R188-C204 WeakPolarHBondContact O-CA 3.32Å; R188-C204 WeakPolarHBondContact O-CB 3.38Å; C204-M212 CarbonylContact O-C 3.51Å; C204-M212 WeakPolarHBondContact O-CA 3.35Å; C204-Y213 PolarHBondContact N-O 2.97Å; C204-Y213 PolarHBondContact O-N 3.1Å; C204-Y213 VanDerWaalsContact O-O 3.14Å; C204-C215 HydrophobicContact CB-CB 4.24Å
205Q96.6Very high93.5Very high6 Ų623.4 Ų23.43%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-134.4133.1178.2-173.9-179.751.300110.2F187 R188 Y190 R207 G210 K211 M212F187-Q205 CarbonylContact C-O 3.51Å; F187-Q205 VanDerWaalsContact CA-O 3.29Å; F187-Q205 WeakPolarHBondContact CA-O 3.49Å; R188-Q205 PolarHBondContact N-O 2.85Å; R188-Q205 PolarHBondContact O-N 3.18Å; Y190-Q205 HydrophobicContact CE2-CB 3.67Å; Y190-Q205 PolarHBondContact OH-OE1 2.92Å; Q205-R207 PolarHBondContact O-N 3.33Å; Q205-G210 VanDerWaalsContact CG-O 3.3Å; Q205-G210 WeakPolarHBondContact CG-O 3.48Å; Q205-G210 PolarHBondContact NE2-O 2.78Å; Q205-K211 CarbonylContact C-O 3.09Å; Q205-K211 VanDerWaalsContact CA-O 3.28Å; Q205-K211 WeakPolarHBondContact CA-O 3.39Å; Q205-M212 HydrophobicContact CB-SD 3.65Å; Q205-M212 HydrophobicContact CG-SD 3.88Å
206V97.1Very high94Very high4 Ų421 Ų212%0.02412%0.12CC..EExtended strand (participates in β ladder)trans-68.6124172.2176.10000108.9F187 A208 T209 G210 K211 Y213 Y252 E515F187-V206 HydrophobicContact CD1-CG2 3.91Å; F187-V206 HydrophobicContact CE1-CG2 3.65Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 HydrophobicContact CG1-CB 4.44Å; V206-A208 PolarHBondContact O-N 3.01Å; V206-T209 WeakPolarHBondContact CB-OG1 3.47Å; V206-T209 HydrophobicContact CG1-CG2 4.25Å; V206-T209 WeakPolarHBondContact CG1-OG1 3.3Å; V206-G210 VanDerWaalsContact O-CA 3.3Å; V206-G210 WeakPolarHBondContact O-CA 3.38Å; V206-G210 PolarHBondContact O-N 3.41Å; V206-K211 PolarHBondContact N-O 2.58Å; V206-Y213 HydrophobicContact CG2-CD2 3.89Å; V206-Y213 HydrophobicContact CG2-CE2 3.77Å; V206-Y252 HydrophobicContact CG2-CE2 3.89Å; V206-E515 WeakPolarHBondContact CB-OE1 3.41Å; V206-E515 WeakPolarHBondContact CG1-OE1 3.33Å; V206-E515 WeakPolarHBondContact CG2-OE1 3.34Å
207R95.9Very high94.7Very high99 Ų9922.3 Ų22.337%0.37412%0.12SC..THydrogen-bonded Turntrans-62.6-37.4-174.6-74-174.5-172.3-145.6-1.7113S27 N185 T186 F187 R188 Q205S27-R207 VanDerWaalsContact CB-O 3.28Å; S27-R207 WeakPolarHBondContact CB-O 3.39Å; S27-R207 PolarHBondContact N-O 3.25Å; N185-R207 WeakPolarHBondContact O-CD 3.35Å; N185-R207 PolarHBondContact O-NE 3.21Å; N185-R207 VanDerWaalsContact O-NE 3.15Å; T186-R207 WeakPolarHBondContact O-CB 3.38Å; T186-R207 WeakPolarHBondContact O-CG 3.43Å; T186-R207 PolarHBondContact O-N 2.62Å; F187-R207 PolarHBondContact O-NE 3.41Å; F187-R207 PolarHBondContact O-NH2 2.96Å; R188-R207 HydrophobicContact CG-CG 3.71Å; Q205-R207 PolarHBondContact O-N 3.33Å
208A95.3Very high95.3Very high6 Ų620.3 Ų20.35%0.0510%0.099CC..THydrogen-bonded Turntrans-74.1-46.7-175.100000112R26 W30 I33 L34 V206R26-A208 WeakPolarHBondContact CB-O 3.43Å; R26-A208 WeakPolarHBondContact CD-O 3.38Å; R26-A208 VanDerWaalsContact CG-O 3.24Å; R26-A208 WeakPolarHBondContact CG-O 3.27Å; W30-A208 WeakPolarHBondContact CB-O 3.27Å; I33-A208 HydrophobicContact CB-CB 4.33Å; I33-A208 HydrophobicContact CG2-CB 3.88Å; L34-A208 HydrophobicContact CD1-CB 3.88Å; L34-A208 HydrophobicContact CD2-CB 4.1Å; L34-A208 HydrophobicContact CG-CB 3.84Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 HydrophobicContact CG1-CB 4.44Å; V206-A208 PolarHBondContact O-N 3.01Å
209T94.6Very high95.7Very high7 Ų722.1 Ų22.14%0.04311%0.108CC..THydrogen-bonded Turntrans-95.2-24.4-171.864.50000113.1R26 L34 V206 K211 E515 M516R26-T209 WeakPolarHBondContact CG-O 3.25Å; L34-T209 HydrophobicContact CD1-CG2 4.38Å; V206-T209 WeakPolarHBondContact CB-OG1 3.47Å; V206-T209 HydrophobicContact CG1-CG2 4.25Å; V206-T209 WeakPolarHBondContact CG1-OG1 3.3Å; T209-K211 PolarHBondContact OG1-N 3.37Å; T209-K211 VanDerWaalsContact OG1-N 3.17Å; T209-E515 VanDerWaalsContact CB-OE1 3.28Å; T209-E515 WeakPolarHBondContact CB-OE1 3.47Å; T209-E515 HydrophobicContact CG2-CG 3.89Å; T209-E515 WeakPolarHBondContact CG2-OE1 3.36Å; T209-E515 PolarHBondContact OG1-OE1 2.85Å; T209-M516 HydrophobicContact CG2-CE 3.37Å; T209-M516 HydrophobicContact CG2-SD 3.75Å
210G93.2Very high96Very high13 Ų1322.5 Ų22.513%0.13411%0.109CC..  trans78.63.4-172.200000113.8Q205 V206Q205-G210 VanDerWaalsContact CG-O 3.3Å; Q205-G210 WeakPolarHBondContact CG-O 3.48Å; Q205-G210 PolarHBondContact NE2-O 2.78Å; V206-G210 VanDerWaalsContact O-CA 3.3Å; V206-G210 WeakPolarHBondContact O-CA 3.38Å; V206-G210 PolarHBondContact O-N 3.41Å
211K94.2Very high96.1Very high48 Ų4823.7 Ų23.721%0.20911%0.113CC..  trans-69.8135.9-179.3-171.5166.9174.8173.60111.2Q205 V206 T209 Y213 E515 E518Q205-K211 CarbonylContact C-O 3.09Å; Q205-K211 VanDerWaalsContact CA-O 3.28Å; Q205-K211 WeakPolarHBondContact CA-O 3.39Å; V206-K211 PolarHBondContact N-O 2.58Å; T209-K211 PolarHBondContact OG1-N 3.37Å; T209-K211 VanDerWaalsContact OG1-N 3.17Å; K211-Y213 HydrophobicContact CB-CE2 4Å; K211-Y213 HydrophobicContact CD-CE2 3.9Å; K211-Y213 WeakPolarHBondContact CD-OH 3.04Å; K211-Y213 VanDerWaalsContact CE-OH 3.31Å; K211-Y213 WeakPolarHBondContact CE-OH 3.31Å; K211-Y213 HydrophobicContact CG-CD2 4.35Å; K211-Y213 HydrophobicContact CG-CE2 3.71Å; K211-E515 HydrophobicContact CB-CG 4.01Å; K211-E515 HydrophobicContact CD-CB 3.59Å; K211-E515 HydrophobicContact CD-CG 3.54Å; K211-E515 HydrophobicContact CG-CG 4.4Å; K211-E518 WeakPolarHBondContact CE-OE2 3.48Å; K211-E518 IonicContact NZ-OE1 2.8Å; K211-E518 IonicContact NZ-OE2 2.63Å; K211-E518 PolarHBondContact NZ-OE2 2.99Å
212M94.9Very high96.1Very high25 Ų2523.1 Ų23.112%0.12311%0.107CC..EExtended strand (participates in β ladder)trans-87.7143.2179.2-67.5-66.2-63.900111L12 A15 Y190 A203 C204 Q205 I266L12-M212 HydrophobicContact CD1-CE 3.85Å; A15-M212 HydrophobicContact CB-CE 4.23Å; A15-M212 HydrophobicContact CB-SD 4.02Å; Y190-M212 HydrophobicContact CD2-CE 4.16Å; Y190-M212 HydrophobicContact CE2-CE 4.23Å; Y190-M212 HydrophobicContact CE2-SD 4.2Å; A203-M212 HydrophobicContact CB-CE 4.31Å; C204-M212 CarbonylContact O-C 3.51Å; C204-M212 WeakPolarHBondContact O-CA 3.35Å; Q205-M212 HydrophobicContact CB-SD 3.65Å; Q205-M212 HydrophobicContact CG-SD 3.88Å; M212-I266 HydrophobicContact CB-CD1 4.36Å; M212-I266 HydrophobicContact CB-CG2 4.03Å; M212-I266 HydrophobicContact CE-CD1 4.23Å
213Y97.6Very high96.1Very high6 Ų623.1 Ų23.12%0.02411%0.107CC..EExtended strand (participates in β ladder)trans-144.9167.3178.3-72.1-77.7000111.4C204 V206 K211 A251 Y252 V263 L264 E515C204-Y213 PolarHBondContact N-O 2.97Å; C204-Y213 PolarHBondContact O-N 3.1Å; C204-Y213 VanDerWaalsContact O-O 3.14Å; V206-Y213 HydrophobicContact CG2-CD2 3.89Å; V206-Y213 HydrophobicContact CG2-CE2 3.77Å; K211-Y213 HydrophobicContact CB-CE2 4Å; K211-Y213 HydrophobicContact CD-CE2 3.9Å; K211-Y213 WeakPolarHBondContact CD-OH 3.04Å; K211-Y213 VanDerWaalsContact CE-OH 3.31Å; K211-Y213 WeakPolarHBondContact CE-OH 3.31Å; K211-Y213 HydrophobicContact CG-CD2 4.35Å; K211-Y213 HydrophobicContact CG-CE2 3.71Å; Y213-A251 HydrophobicContact CD1-CB 4.31Å; Y213-A251 HydrophobicContact CE1-CB 3.6Å; Y213-Y252 HydrophobicContact CE2-CE2 4.05Å; Y213-V263 HydrophobicContact CD1-CG1 4.07Å; Y213-V263 HydrophobicContact CD2-CG1 4.01Å; Y213-V263 HydrophobicContact CG-CG1 3.57Å; Y213-L264 WeakPolarHBondContact CB-O 3.06Å; Y213-L264 WeakPolarHBondContact CD1-O 3.32Å; Y213-E515 WeakPolarHBondContact CE2-OE2 3.14Å; Y213-E515 PolarHBondContact OH-OE2 2.83Å
214A97.6Very high96.1Very high11 Ų1125.2 Ų25.29%0.09112%0.116CC..EExtended strand (participates in β ladder)trans-99.9129.5165.600000109.4L193 V201 C202 V263 L264L193-A214 HydrophobicContact CD1-CB 4.45Å; V201-A214 HydrophobicContact CG1-CB 4.02Å; C202-A214 CarbonylContact O-C 3.57Å; A214-V263 CarbonylContact O-C 3.57Å; A214-V263 WeakPolarHBondContact O-CA 3.48Å; A214-L264 PolarHBondContact N-O 3.5Å; A214-L264 PolarHBondContact O-N 3.25Å
215C98Very high96Very high0 Ų031.6 Ų31.60%014%0.144CC..EExtended strand (participates in β ladder)trans-105.7104.8175.8179.30000109.8V201 C202 C204 K217 L262V201-C215 WeakPolarHBondContact CA-O 3.41Å; C202-C215 PolarHBondContact N-O 3.43Å; C202-C215 PolarHBondContact O-N 3.17Å; C204-C215 HydrophobicContact CB-CB 4.24Å; C215-K217 PolarHBondContact O-N 2.86Å; C215-L262 CarbonylContact C-O 3.59Å; C215-L262 WeakPolarHBondContact CA-O 3.39Å
216K97.4Very high95.9Very high19 Ų1937.8 Ų37.88%0.08317%0.167CC..EExtended strand (participates in β ladder)trans-80.4107.7170.7-171.4-178.9-163.7-171.50108.4V201 L218 E235 C261 L262 L264 D330V201-K216 HydrophobicContact CG2-CB 4.14Å; V201-K216 HydrophobicContact CG2-CG 3.99Å; K216-L218 HydrophobicContact CD-CD2 4.23Å; K216-L218 HydrophobicContact CG-CD2 4Å; K216-E235 IonicContact NZ-OE1 2.68Å; K216-E235 PolarHBondContact NZ-OE1 2.64Å; K216-E235 IonicContact NZ-OE2 2.71Å; K216-E235 PolarHBondContact NZ-OE2 3.27Å; K216-C261 WeakPolarHBondContact O-CA 3.05Å; K216-L262 HydrophobicContact CB-CB 4.34Å; K216-L262 PolarHBondContact N-O 3.45Å; K216-L262 PolarHBondContact O-N 2.71Å; K216-L264 HydrophobicContact CB-CD1 4.3Å; K216-D330 IonicContact NZ-OD1 3.9Å; K216-D330 PolarHBondContact NZ-OD1 3.43Å
217K97Very high95.8Very high48 Ų4846.3 Ų46.321%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-96.1117.6179-59.3-178.7-164.5152.70109.8G199 E200 C202 C215 A259 L260G199-K217 CarbonylContact C-O 3.53Å; G199-K217 VanDerWaalsContact CA-O 3.24Å; G199-K217 WeakPolarHBondContact CA-O 3.24Å; E200-K217 HydrophobicContact CG-CB 4.34Å; E200-K217 HydrophobicContact CG-CD 4.3Å; E200-K217 PolarHBondContact N-O 2.91Å; E200-K217 PolarHBondContact O-N 3.34Å; E200-K217 IonicContact OE1-NZ 3.38Å; E200-K217 PolarHBondContact OE1-NZ 2.9Å; C202-K217 WeakPolarHBondContact SG-CE 3.15Å; C215-K217 PolarHBondContact O-N 2.86Å; K217-A259 HydrophobicContact CB-CB 4.29Å; K217-L260 CarbonylContact C-O 3.55Å; K217-L260 WeakPolarHBondContact CA-O 3.39Å
218L96.7Very high95.8Very high3 Ų341.8 Ų41.82%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-101.5113.6177.2-46.6173.9000108.6F198 K216 K220 I223 A232 A259 L260 F503F198-L218 HydrophobicContact CB-CB 4.14Å; F198-L218 HydrophobicContact CB-CD2 3.94Å; K216-L218 HydrophobicContact CD-CD2 4.23Å; K216-L218 HydrophobicContact CG-CD2 4Å; L218-K220 PolarHBondContact O-N 2.91Å; L218-I223 HydrophobicContact CB-CD1 3.77Å; L218-I223 HydrophobicContact CB-CG1 4.37Å; L218-A232 HydrophobicContact CD1-CB 3.94Å; L218-A259 CarbonylContact O-C 3.5Å; L218-A259 WeakPolarHBondContact O-CA 3.48Å; L218-A259 WeakPolarHBondContact O-CB 3.34Å; L218-L260 HydrophobicContact CB-CB 4.4Å; L218-L260 PolarHBondContact N-O 2.92Å; L218-L260 PolarHBondContact O-N 3.13Å; L218-F503 HydrophobicContact CD1-CE2 4.27Å; L218-F503 HydrophobicContact CD1-CZ 4.18Å
219Q96.3Very high95.8Very high65 Ų6544 Ų4430%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-70.1121.5-175.4-65.5177.62.400111F198 K221 R222 I223F198-Q219 PolarHBondContact O-N 2.94Å; Q219-K221 PolarHBondContact O-N 2.82Å; Q219-R222 HydrophobicContact CB-CB 3.88Å; Q219-R222 WeakPolarHBondContact O-CA 3.34Å; Q219-R222 WeakPolarHBondContact O-CB 3.45Å; Q219-R222 PolarHBondContact O-N 2.83Å; Q219-I223 PolarHBondContact O-N 3.31Å
220K96.7Very high95.7Very high10 Ų1047.4 Ų47.44%0.04323%0.226CC..Hα-helixtrans-52.8-50.1-175.4-75.3-178.5168.3-166.10112.7L218 R222 I223 K224 E255 T256 D258 L260 L492 Y500L218-K220 PolarHBondContact O-N 2.91Å; K220-R222 VanDerWaalsContact C-N 3.25Å; K220-R222 PolarHBondContact O-N 2.77Å; K220-I223 WeakPolarHBondContact O-CB 3.3Å; K220-I223 PolarHBondContact O-N 3.02Å; K220-K224 PolarHBondContact O-N 2.75Å; K220-E255 WeakPolarHBondContact CE-OE2 3.4Å; K220-E255 IonicContact NZ-OE2 3.67Å; K220-E255 PolarHBondContact NZ-OE2 2.77Å; K220-T256 WeakPolarHBondContact CE-O 3.44Å; K220-T256 PolarHBondContact NZ-O 2.59Å; K220-D258 PolarHBondContact N-O 3.36Å; K220-L260 HydrophobicContact CG-CG 4.36Å; K220-L492 HydrophobicContact CB-CD1 3.86Å; K220-L492 HydrophobicContact CB-CD2 4.37Å; K220-L492 HydrophobicContact CD-CD1 4Å; K220-Y500 HydrophobicContact CB-CE1 4.41Å; K220-Y500 HydrophobicContact CD-CD1 4.47Å; K220-Y500 HydrophobicContact CD-CD2 4.19Å; K220-Y500 HydrophobicContact CD-CE1 3.96Å; K220-Y500 HydrophobicContact CD-CE2 3.63Å; K220-Y500 HydrophobicContact CG-CE1 3.83Å; K220-Y500 HydrophobicContact CG-CE2 4.37Å; K220-Y500 VanDerWaalsContact NZ-CE2 3.32Å
221K95.8Very high95.7Very high92 Ų9250.6 Ų50.640%0.424%0.238SC..Hα-helixtrans-60.9-31.9177.6-67.6-176.4176.6179.90113.5Q219 K225 V487 I490 L492Q219-K221 PolarHBondContact O-N 2.82Å; K221-K225 WeakPolarHBondContact O-CB 3.41Å; K221-K225 PolarHBondContact O-N 2.76Å; K221-V487 HydrophobicContact CB-CB 4.11Å; K221-V487 HydrophobicContact CB-CG1 4.11Å; K221-I490 HydrophobicContact CB-CG2 4.25Å; K221-I490 HydrophobicContact CG-CG2 4.41Å; K221-L492 HydrophobicContact CG-CD2 4.29Å
222R95.1Very high95.8Very high22 Ų2248.3 Ų48.38%0.08323%0.229CC..Hα-helixtrans-78.5-36.1-179.6-175.1173.2-82-95.9-8.5111.6F198 Q219 K220 R226 F484 S485 V487F198-R222 HydrophobicContact CD1-CG 4.41Å; F198-R222 WeakPolarHBondContact O-CD 3.3Å; Q219-R222 HydrophobicContact CB-CB 3.88Å; Q219-R222 WeakPolarHBondContact O-CA 3.34Å; Q219-R222 WeakPolarHBondContact O-CB 3.45Å; Q219-R222 PolarHBondContact O-N 2.83Å; K220-R222 VanDerWaalsContact C-N 3.25Å; K220-R222 PolarHBondContact O-N 2.77Å; R222-R226 WeakPolarHBondContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CG 3.44Å; R222-R226 PolarHBondContact O-N 2.83Å; R222-F484 VanDerWaalsContact CZ-CE1 3.47Å; R222-S485 PolarHBondContact NH2-O 3.4Å; R222-V487 HydrophobicContact CB-CG2 4.29Å
223I95.8Very high95.8Very high1 Ų147.9 Ų47.91%0.00523%0.227CC..Hα-helixtrans-57.5-56.2170-65.2168.1000108.7F198 L218 Q219 K220 K225 R226 K227 G228 E229 L260 F499F198-I223 HydrophobicContact CB-CG1 4.36Å; F198-I223 HydrophobicContact CD1-CG1 4.11Å; F198-I223 HydrophobicContact CG-CG1 4.3Å; L218-I223 HydrophobicContact CB-CD1 3.77Å; L218-I223 HydrophobicContact CB-CG1 4.37Å; Q219-I223 PolarHBondContact O-N 3.31Å; K220-I223 WeakPolarHBondContact O-CB 3.3Å; K220-I223 PolarHBondContact O-N 3.02Å; I223-K225 PolarHBondContact O-N 3.1Å; I223-R226 CarbonylContact O-C 3.57Å; I223-R226 PolarHBondContact O-N 3.37Å; I223-K227 PolarHBondContact O-N 2.75Å; I223-G228 PolarHBondContact O-N 2.82Å; I223-E229 HydrophobicContact CG2-CB 4.47Å; I223-E229 HydrophobicContact CG2-CG 3.93Å; I223-L260 HydrophobicContact CD1-CD1 3.87Å; I223-L260 HydrophobicContact CD1-CG 4.4Å; I223-F499 HydrophobicContact CG2-CE1 4.14Å; I223-F499 HydrophobicContact CG2-CZ 4.3Å
224K95.8Very high95.7Very high44 Ų4450.1 Ų50.119%0.19124%0.239CC..Hα-helixtrans-57.1-47.1-179.4-171.6168.4-167.4167.30112.9K220 R226 K227 E229 I490 Y491 L492 D493 D496K220-K224 PolarHBondContact O-N 2.75Å; K224-R226 PolarHBondContact O-N 2.81Å; K224-R226 VanDerWaalsContact O-N 3.14Å; K224-K227 PolarHBondContact O-N 3.31Å; K224-E229 WeakPolarHBondContact CA-OE1 3.12Å; K224-I490 HydrophobicContact CB-CG2 4.12Å; K224-I490 HydrophobicContact CD-CG2 3.98Å; K224-I490 HydrophobicContact CG-CG2 4.14Å; K224-Y491 WeakPolarHBondContact CE-O 3.28Å; K224-Y491 PolarHBondContact NZ-O 3.19Å; K224-L492 HydrophobicContact CD-CD2 4.04Å; K224-D493 IonicContact NZ-OD1 3.69Å; K224-D493 IonicContact NZ-OD2 2.77Å; K224-D493 PolarHBondContact NZ-OD2 3.11Å; K224-D496 WeakPolarHBondContact CD-OD1 3.43Å; K224-D496 IonicContact NZ-OD1 3.79Å; K224-D496 PolarHBondContact NZ-OD1 3.26Å; K224-D496 IonicContact NZ-OD2 2.7Å; K224-D496 PolarHBondContact NZ-OD2 3.35Å
225K94.8Very high95.6Very high135 Ų13549.9 Ų49.959%0.58724%0.236SC*.Hα-helixtrans-56.3-33.2177-179.2167.4175.5173.80113.1K221 I223 V487 I490K221-K225 WeakPolarHBondContact O-CB 3.41Å; K221-K225 PolarHBondContact O-N 2.76Å; I223-K225 PolarHBondContact O-N 3.1Å; K225-V487 HydrophobicContact CB-CG1 4.3Å; K225-V487 HydrophobicContact CD-CG1 3.81Å; K225-I490 HydrophobicContact CB-CD1 4.24Å; K225-I490 HydrophobicContact CB-CG1 4.14Å
226R94.2Very high95.5Very high136 Ų13650.2 Ų50.251%0.51324%0.238SC..Hα-helixtrans-102.71.4-175.3-69.4-176.2174.1-171.6-1.9113.4G197 F198 R222 I223 K224 G228G197-R226 PolarHBondContact O-NH1 3.44Å; F198-R226 HydrophobicContact CE1-CB 3.97Å; R222-R226 WeakPolarHBondContact O-CB 3.28Å; R222-R226 WeakPolarHBondContact O-CG 3.44Å; R222-R226 PolarHBondContact O-N 2.83Å; I223-R226 CarbonylContact O-C 3.57Å; I223-R226 PolarHBondContact O-N 3.37Å; K224-R226 PolarHBondContact O-N 2.81Å; K224-R226 VanDerWaalsContact O-N 3.14Å; R226-G228 VanDerWaalsContact C-N 3.25Å; R226-G228 PolarHBondContact O-N 3.28Å
227K95.1Very high95.5Very high182 Ų18256 Ų5679%0.79126%0.259SS*.THydrogen-bonded Turntrans52.345.8-172.9-54.2-176.8178.7-174.30111.8I223 K224 E229I223-K227 PolarHBondContact O-N 2.75Å; K224-K227 PolarHBondContact O-N 3.31Å; K227-E229 WeakPolarHBondContact CA-OE2 3.41Å
228G95.1Very high95.5Very high5 Ų554 Ų545%0.05225%0.25CS..  trans-92.88.9-172.500000115.2I223 R226 M231 A232I223-G228 PolarHBondContact O-N 2.82Å; R226-G228 VanDerWaalsContact C-N 3.25Å; R226-G228 PolarHBondContact O-N 3.28Å; G228-M231 PolarHBondContact O-N 2.98Å; G228-A232 PolarHBondContact O-N 3.24Å
229E95.3Very high95.5Very high52 Ų5254 Ų5424%0.24325%0.251CS..Hα-helixtrans-61-50-171.3-59.278.1-17100111I223 K224 K227 M231 A232 L233 F499I223-E229 HydrophobicContact CG2-CB 4.47Å; I223-E229 HydrophobicContact CG2-CG 3.93Å; K224-E229 WeakPolarHBondContact CA-OE1 3.12Å; K227-E229 WeakPolarHBondContact CA-OE2 3.41Å; E229-M231 VanDerWaalsContact C-N 3.3Å; E229-M231 PolarHBondContact O-N 3.15Å; E229-A232 PolarHBondContact O-N 2.91Å; E229-L233 WeakPolarHBondContact O-CB 3.29Å; E229-L233 PolarHBondContact O-N 2.83Å; E229-F499 HydrophobicContact CB-CD1 4.41Å; E229-F499 HydrophobicContact CB-CD2 4.07Å; E229-F499 HydrophobicContact CB-CE1 4.29Å; E229-F499 HydrophobicContact CB-CE2 3.95Å; E229-F499 HydrophobicContact CB-CG 4.3Å; E229-F499 HydrophobicContact CB-CZ 4.07Å; E229-F499 HydrophobicContact CG-CD1 4.05Å; E229-F499 HydrophobicContact CG-CE1 4.04Å; E229-F499 HydrophobicContact CG-CG 4.32Å; E229-F499 HydrophobicContact CG-CZ 4.32Å; E229-F499 WeakPolarHBondContact O-CE2 3.38Å
230A93.4Very high95.4Very high79 Ų7953.7 Ų53.765%0.65325%0.249SC*.Hα-helixtrans-61.5-38.2178.800000112.2N234A230-N234 WeakPolarHBondContact O-CB 3.49Å; A230-N234 PolarHBondContact O-N 3.35Å
231M93.5Very high95.2Very high79 Ų7956.7 Ų56.739%0.38926%0.262SS..Hα-helixtrans-67.1-45.1178.4-174.1179.9-72.200111.6F198 G228 E229 N234 E235 G332 L333F198-M231 HydrophobicContact CE2-CG 4.42Å; F198-M231 HydrophobicContact CE2-SD 3.71Å; F198-M231 HydrophobicContact CZ-SD 4Å; G228-M231 PolarHBondContact O-N 2.98Å; E229-M231 VanDerWaalsContact C-N 3.3Å; E229-M231 PolarHBondContact O-N 3.15Å; M231-N234 PolarHBondContact O-N 3.39Å; M231-E235 PolarHBondContact O-N 2.79Å; M231-G332 VanDerWaalsContact CG-O 3.31Å; M231-G332 WeakPolarHBondContact CG-O 3.48Å; M231-L333 HydrophobicContact CE-CD2 3.99Å
232A95.8Very high95.1Very high1 Ų152.8 Ų52.81%0.00825%0.246CC..Hα-helixtrans-64.5-42.7178.200000111.9L218 G228 E229 K236 F499 F503L218-A232 HydrophobicContact CD1-CB 3.94Å; G228-A232 PolarHBondContact O-N 3.24Å; E229-A232 PolarHBondContact O-N 2.91Å; A232-K236 WeakPolarHBondContact O-CB 3.46Å; A232-K236 PolarHBondContact O-N 2.9Å; A232-K236 VanDerWaalsContact O-N 3.14Å; A232-F499 HydrophobicContact CB-CZ 4.27Å; A232-F503 HydrophobicContact CB-CE2 4.33Å
233L95.2Very high94.9Very high16 Ų1657.3 Ų57.38%0.08427%0.268CS..Hα-helixtrans-69.1-38.4178.4-167.162.2000111.9E229 K236 R237 F499 Q502E229-L233 WeakPolarHBondContact O-CB 3.29Å; E229-L233 PolarHBondContact O-N 2.83Å; L233-K236 PolarHBondContact O-N 3.43Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 VanDerWaalsContact O-CG 3.3Å; L233-R237 WeakPolarHBondContact O-CG 3.45Å; L233-R237 PolarHBondContact O-N 3.14Å; L233-F499 HydrophobicContact CB-CE2 4.32Å; L233-Q502 HydrophobicContact CD1-CB 4.31Å
234N94.9Very high94.8Very high52 Ų5257.8 Ų57.828%0.27827%0.272SS..Hα-helixtrans-62.8-47.2175.4-179.275.2000111.7A230 M231 K236 R237 I238 A334A230-N234 WeakPolarHBondContact O-CB 3.49Å; A230-N234 PolarHBondContact O-N 3.35Å; M231-N234 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.31Å; N234-K236 PolarHBondContact O-N 3.48Å; N234-R237 PolarHBondContact O-N 3.32Å; N234-I238 WeakPolarHBondContact O-CB 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.43Å; N234-I238 PolarHBondContact O-N 3.44Å; N234-A334 PolarHBondContact ND2-O 3.25Å
235E95.9Very high94.8Very high6 Ų659.1 Ų59.13%0.02828%0.276CS..Hα-helixtrans-56-48.2175.8-174.1174.7-168.400110.9K216 M231 I238 L239 L262 L331K216-E235 IonicContact NZ-OE1 2.68Å; K216-E235 PolarHBondContact NZ-OE1 2.64Å; K216-E235 IonicContact NZ-OE2 2.71Å; K216-E235 PolarHBondContact NZ-OE2 3.27Å; M231-E235 PolarHBondContact O-N 2.79Å; E235-I238 PolarHBondContact O-N 3.2Å; E235-L239 HydrophobicContact CG-CD1 3.84Å; E235-L239 WeakPolarHBondContact O-CB 3.5Å; E235-L239 VanDerWaalsContact O-CG 3.29Å; E235-L239 WeakPolarHBondContact O-CG 3.29Å; E235-L239 PolarHBondContact O-N 2.95Å; E235-L262 HydrophobicContact CG-CD1 4.37Å; E235-L331 HydrophobicContact CG-CB 4.3Å; E235-L331 PolarHBondContact OE1-N 3.45Å
236K96.6Very high95Very high7 Ų753 Ų533%0.0325%0.249CC..Hα-helixtrans-59.3-49.5178.3-178.1-87.9-172.7176.90111.9A232 L233 N234 I238 L239 E240 L250 A253 L262 F503 T505A232-K236 WeakPolarHBondContact O-CB 3.46Å; A232-K236 PolarHBondContact O-N 2.9Å; A232-K236 VanDerWaalsContact O-N 3.14Å; L233-K236 PolarHBondContact O-N 3.43Å; N234-K236 VanDerWaalsContact C-N 3.31Å; N234-K236 PolarHBondContact O-N 3.48Å; K236-I238 PolarHBondContact O-N 3.1Å; K236-L239 PolarHBondContact O-N 2.92Å; K236-E240 HydrophobicContact CD-CG 4.32Å; K236-E240 WeakPolarHBondContact CE-OE1 3.42Å; K236-E240 VanDerWaalsContact CE-OE2 3.24Å; K236-E240 WeakPolarHBondContact CE-OE2 3.25Å; K236-E240 IonicContact NZ-OE1 2.68Å; K236-E240 PolarHBondContact NZ-OE1 3.18Å; K236-E240 IonicContact NZ-OE2 3.47Å; K236-E240 PolarHBondContact NZ-OE2 3.21Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.22Å; K236-L250 HydrophobicContact CG-CD2 4.22Å; K236-A253 HydrophobicContact CG-CB 4.26Å; K236-L262 HydrophobicContact CB-CD2 3.98Å; K236-L262 HydrophobicContact CG-CD2 3.84Å; K236-F503 HydrophobicContact CB-CD2 4.28Å; K236-F503 HydrophobicContact CB-CE2 3.94Å; K236-F503 HydrophobicContact CB-CZ 4.5Å; K236-F503 VanDerWaalsContact CE-O 3.31Å; K236-F503 WeakPolarHBondContact CE-O 3.24Å; K236-F503 HydrophobicContact CG-CD2 4.42Å; K236-F503 HydrophobicContact CG-CE2 4.29Å; K236-T505 WeakPolarHBondContact CE-OG1 3.4Å; K236-T505 PolarHBondContact NZ-OG1 3.34Å
237R96.3Very high95.2Very high140 Ų14046.6 Ų46.653%0.52823%0.225SC..Hα-helixtrans-61.9-43.6-178.3-76.6175.2179.21720.7112.2L233 N234 E240 K241L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 VanDerWaalsContact O-CG 3.3Å; L233-R237 WeakPolarHBondContact O-CG 3.45Å; L233-R237 PolarHBondContact O-N 3.14Å; N234-R237 PolarHBondContact O-N 3.32Å; R237-E240 PolarHBondContact O-N 3.36Å; R237-K241 PolarHBondContact O-N 3.07Å
238I96.6Very high95.3Very high6 Ų638.2 Ų38.23%0.03119%0.189CC..Hα-helixtrans-62.9-46176.9-73.4174.1000110.3N234 E235 K236 E240 K241 V242 I308 L331 A334N234-I238 WeakPolarHBondContact O-CB 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.43Å; N234-I238 PolarHBondContact O-N 3.44Å; E235-I238 PolarHBondContact O-N 3.2Å; K236-I238 PolarHBondContact O-N 3.1Å; I238-E240 VanDerWaalsContact C-N 3.29Å; I238-E240 PolarHBondContact O-N 3.47Å; I238-K241 PolarHBondContact O-N 3.33Å; I238-K241 VanDerWaalsContact O-N 3.14Å; I238-V242 HydrophobicContact CG2-CG2 4Å; I238-V242 VanDerWaalsContact O-CG2 3.3Å; I238-V242 WeakPolarHBondContact O-CG2 3.24Å; I238-V242 PolarHBondContact O-N 3.38Å; I238-I308 HydrophobicContact CD1-CG2 4.34Å; I238-I308 HydrophobicContact CG1-CD1 4.37Å; I238-I308 HydrophobicContact CG2-CD1 3.93Å; I238-I308 HydrophobicContact CG2-CG2 4.38Å; I238-L331 HydrophobicContact CG2-CB 4.23Å; I238-L331 HydrophobicContact CG2-CD2 3.37Å; I238-L331 HydrophobicContact CG2-CG 4.41Å; I238-A334 HydrophobicContact CD1-CB 3.67Å
239L96.9Very high95.4Very high5 Ų539.3 Ų39.33%0.02620%0.196CC..Hα-helixtrans-64.8-28.3179-77.8169.1000114.1E235 K236 V248 L250 L262 L264 L331E235-L239 HydrophobicContact CG-CD1 3.84Å; E235-L239 WeakPolarHBondContact O-CB 3.5Å; E235-L239 VanDerWaalsContact O-CG 3.29Å; E235-L239 WeakPolarHBondContact O-CG 3.29Å; E235-L239 PolarHBondContact O-N 2.95Å; K236-L239 PolarHBondContact O-N 2.92Å; L239-V248 HydrophobicContact CD2-CG2 4.04Å; L239-V248 WeakPolarHBondContact CD2-O 3.47Å; L239-L250 HydrophobicContact CB-CB 3.79Å; L239-L250 HydrophobicContact CB-CD2 4.14Å; L239-L262 HydrophobicContact CD1-CD1 4.19Å; L239-L264 HydrophobicContact CD1-CD2 3.8Å; L239-L331 HydrophobicContact CD2-CD1 3.93Å; L239-L331 HydrophobicContact CD2-CD2 4.43Å
240E94.9Very high95.5Very high58 Ų5836.9 Ų36.927%0.27118%0.184SC..Hα-helixtrans-73.2-34.1172.5-74.9-175.7147.200112.7K236 R237 I238 L250 T505 V508K236-E240 HydrophobicContact CD-CG 4.32Å; K236-E240 WeakPolarHBondContact CE-OE1 3.42Å; K236-E240 VanDerWaalsContact CE-OE2 3.24Å; K236-E240 WeakPolarHBondContact CE-OE2 3.25Å; K236-E240 IonicContact NZ-OE1 2.68Å; K236-E240 PolarHBondContact NZ-OE1 3.18Å; K236-E240 IonicContact NZ-OE2 3.47Å; K236-E240 PolarHBondContact NZ-OE2 3.21Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.22Å; R237-E240 PolarHBondContact O-N 3.36Å; I238-E240 VanDerWaalsContact C-N 3.29Å; I238-E240 PolarHBondContact O-N 3.47Å; E240-L250 HydrophobicContact CG-CD2 3.66Å; E240-T505 PolarHBondContact OE1-OG1 3.15Å; E240-V508 HydrophobicContact CG-CG2 4.01Å
241K92.3Very high95.7Very high72 Ų7233.1 Ų33.131%0.31315%0.153SC..Hα-helixtrans-79.1-41.8-177.8-179.5174.2168.3-175.80112.1R237 I238 Q243 E306 E336R237-K241 PolarHBondContact O-N 3.07Å; I238-K241 PolarHBondContact O-N 3.33Å; I238-K241 VanDerWaalsContact O-N 3.14Å; K241-Q243 PolarHBondContact O-N 3.02Å; K241-E306 WeakPolarHBondContact CE-OE2 3.13Å; K241-E306 PolarHBondContact NZ-O 2.93Å; K241-E306 IonicContact NZ-OE2 2.77Å; K241-E336 IonicContact NZ-OE1 2.9Å; K241-E336 PolarHBondContact NZ-OE1 3.41Å; K241-E336 IonicContact NZ-OE2 2.81Å; K241-E336 PolarHBondContact NZ-OE2 3.35Å
242V93.3Very high96Very high11 Ų1129.5 Ų29.57%0.06714%0.135CC..  trans-73.3121.7-172.5173.80000111.5I238 V247 L303 I308I238-V242 HydrophobicContact CG2-CG2 4Å; I238-V242 VanDerWaalsContact O-CG2 3.3Å; I238-V242 WeakPolarHBondContact O-CG2 3.24Å; I238-V242 PolarHBondContact O-N 3.38Å; V242-V247 HydrophobicContact CG1-CB 4.04Å; V242-V247 HydrophobicContact CG1-CG1 4.14Å; V242-V247 HydrophobicContact CG1-CG2 4.12Å; V242-L303 HydrophobicContact CG1-CD2 3.99Å; V242-L303 HydrophobicContact CG2-CD2 3.7Å; V242-I308 HydrophobicContact CG2-CD1 3.61Å
243Q90.7Very high96.1Very high117 Ų11729.5 Ų29.555%0.54714%0.135SC..  trans-115.590.1172-66.2174.420.200109.1K241K241-Q243 PolarHBondContact O-N 3.02Å
244S95.1Very high96.2Very high11 Ų1128.9 Ų28.98%0.07713%0.132CC..  trans-137.7143.6178.9174.90000110.6F246 D302S244-F246 PolarHBondContact O-N 3.37Å; S244-F246 PolarHBondContact OG-N 3.38Å; S244-D302 VanDerWaalsContact CB-OD2 3.23Å; S244-D302 WeakPolarHBondContact CB-OD2 3.21Å; S244-D302 PolarHBondContact OG-OD2 2.99Å
245R95.4Very high96.3Very high72 Ų7229.8 Ų29.827%0.27213%0.134SC..THydrogen-bonded Turntrans-71.5-21.817079-176.2-58.5112.730.4112.5R327 E458 N460R245-R327 WeakPolarHBondContact O-CD 3.25Å; R245-R327 WeakPolarHBondContact O-CG 3.44Å; R245-R327 PolarHBondContact O-NE 3.46Å; R245-R327 PolarHBondContact O-NH1 3.1Å; R245-R327 PolarHBondContact O-NH2 2.8Å; R245-E458 WeakPolarHBondContact CD-O 3.25Å; R245-E458 PolarHBondContact NH1-O 3.49Å; R245-N460 PolarHBondContact NH2-ND2 2.79Å; R245-N460 PolarHBondContact NH2-OD1 3.48Å
246F98.2Very high96.4Very high6 Ų631.4 Ų31.43%0.02615%0.145CC..THydrogen-bonded Turntrans-99.55.3-174.5-55.3-69.4000112.1S244 E295 C298 G299 R327 I328 L457 E458S244-F246 PolarHBondContact O-N 3.37Å; S244-F246 PolarHBondContact OG-N 3.38Å; F246-E295 HydrophobicContact CD1-CB 3.8Å; F246-E295 HydrophobicContact CD1-CG 4.22Å; F246-E295 HydrophobicContact CE1-CB 3.83Å; F246-E295 HydrophobicContact CE1-CG 3.79Å; F246-E295 WeakPolarHBondContact CG-O 3.49Å; F246-C298 HydrophobicContact CD2-CB 3.34Å; F246-C298 HydrophobicContact CE1-CB 4.4Å; F246-C298 HydrophobicContact CE2-CB 3.11Å; F246-C298 HydrophobicContact CG-CB 4.09Å; F246-C298 HydrophobicContact CZ-CB 3.68Å; F246-G299 VanDerWaalsContact CB-CA 3.45Å; F246-R327 CarbonylContact O-C 3.46Å; F246-R327 VanDerWaalsContact O-CA 3.27Å; F246-R327 WeakPolarHBondContact O-CA 3.31Å; F246-I328 PolarHBondContact O-N 3.39Å; F246-L457 HydrophobicContact CZ-CG 4.34Å; F246-E458 HydrophobicContact CE2-CG 4.22Å
247V98.3Very high96.3Very high1 Ų139.7 Ų39.71%0.00618%0.181CC..BIsolated β-bridgetrans-123.4144.4172.3-173.70000108.3V242 S249 L303 R327 I328 L331V242-V247 HydrophobicContact CG1-CB 4.04Å; V242-V247 HydrophobicContact CG1-CG1 4.14Å; V242-V247 HydrophobicContact CG1-CG2 4.12Å; V247-S249 PolarHBondContact O-N 3.26Å; V247-L303 HydrophobicContact CG2-CD1 4.42Å; V247-L303 HydrophobicContact CG2-CD2 4.17Å; V247-L303 HydrophobicContact CG2-CG 4.16Å; V247-R327 PolarHBondContact O-NH1 2.94Å; V247-I328 WeakPolarHBondContact CA-O 3.3Å; V247-I328 HydrophobicContact CG2-CB 4.38Å; V247-L331 HydrophobicContact CG1-CD1 4Å; V247-L331 HydrophobicContact CG1-CD2 4.04Å
248V97.3Very high96.2Very high6 Ų638 Ų384%0.03618%0.182CC..PPolyproline II helixtrans-62.1135.9173.1-62.40000110L239 M267 R327 I328L239-V248 HydrophobicContact CD2-CG2 4.04Å; L239-V248 WeakPolarHBondContact CD2-O 3.47Å; V248-M267 HydrophobicContact CG1-CG 4.06Å; V248-R327 HydrophobicContact CG1-CB 4.11Å; V248-I328 PolarHBondContact N-O 2.74Å
249S96.6Very high96.2Very high28 Ų2838.2 Ų38.220%0.19619%0.185CC..PPolyproline II helixtrans-97.4139.7-178.5-48.60000110V247 L264 T265V247-S249 PolarHBondContact O-N 3.26Å; S249-L264 CarbonylContact O-C 3.6Å; S249-L264 VanDerWaalsContact O-CA 3.27Å; S249-L264 WeakPolarHBondContact O-CA 3.18Å; S249-T265 PolarHBondContact N-OG1 3.43Å; S249-T265 PolarHBondContact O-N 3.48Å; S249-T265 PolarHBondContact O-OG1 2.96Å
250L98.3Very high96.3Very high1 Ų138 Ų381%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-87.1122.6171.3174.871.3000109.9K236 L239 E240 Y252 A253 L262 L264 V508 P511K236-L250 HydrophobicContact CG-CD2 4.22Å; L239-L250 HydrophobicContact CB-CB 3.79Å; L239-L250 HydrophobicContact CB-CD2 4.14Å; E240-L250 HydrophobicContact CG-CD2 3.66Å; L250-Y252 WeakPolarHBondContact CD1-O 3.43Å; L250-A253 HydrophobicContact CD2-CB 4.45Å; L250-L262 HydrophobicContact CD1-CB 3.83Å; L250-L262 HydrophobicContact CD1-CD2 3.7Å; L250-L262 HydrophobicContact CD1-CG 4.35Å; L250-L262 HydrophobicContact CD2-CD2 4.18Å; L250-L264 HydrophobicContact CB-CD2 4.02Å; L250-L264 HydrophobicContact CD1-CD2 3.71Å; L250-V508 HydrophobicContact CB-CG2 4.4Å; L250-V508 HydrophobicContact CD2-CG2 3.99Å; L250-V508 HydrophobicContact CG-CG2 3.83Å; L250-V508 WeakPolarHBondContact O-CB 3.48Å; L250-V508 VanDerWaalsContact O-CG2 3.31Å; L250-V508 WeakPolarHBondContact O-CG2 3.39Å; L250-P511 WeakPolarHBondContact O-CG 3.15Å
251A98Very high96.4Very high0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-98.8-33.6176.100000112.8Y213 V263 V508 P511Y213-A251 HydrophobicContact CD1-CB 4.31Å; Y213-A251 HydrophobicContact CE1-CB 3.6Å; A251-V263 PolarHBondContact N-O 3.07Å; A251-V508 PolarHBondContact O-N 3.37Å; A251-P511 HydrophobicContact CB-CB 3.99Å
252Y98.5Very high96.7Very high4 Ų431.9 Ų31.92%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-145.6140.3179.8-48.5-98.4000112.4V182 F187 V206 Y213 L250 V263 G506 C507 W512 E515V182-Y252 HydrophobicContact CG1-CD1 4.05Å; V182-Y252 HydrophobicContact CG2-CD1 3.85Å; V182-Y252 HydrophobicContact CG2-CE1 4.44Å; F187-Y252 AromaticContact CE1-CD2 3.92Å; F187-Y252 HydrophobicContact CE1-CD2 3.92Å; F187-Y252 HydrophobicContact CE1-CE2 4.09Å; F187-Y252 HydrophobicContact CE1-CG 4.3Å; F187-Y252 HydrophobicContact CZ-CD1 4.15Å; F187-Y252 AromaticContact CZ-CD2 3.86Å; F187-Y252 HydrophobicContact CZ-CD2 3.86Å; F187-Y252 HydrophobicContact CZ-CE2 4.34Å; F187-Y252 AromaticContact CZ-CG 3.76Å; F187-Y252 HydrophobicContact CZ-CG 3.76Å; V206-Y252 HydrophobicContact CG2-CE2 3.89Å; Y213-Y252 HydrophobicContact CE2-CE2 4.05Å; L250-Y252 WeakPolarHBondContact CD1-O 3.43Å; Y252-V263 HydrophobicContact CD2-CB 3.82Å; Y252-V263 HydrophobicContact CD2-CG1 3.71Å; Y252-V263 HydrophobicContact CD2-CG2 4.35Å; Y252-V263 HydrophobicContact CE2-CG1 4.46Å; Y252-V263 HydrophobicContact CG-CB 4.28Å; Y252-V263 HydrophobicContact CG-CG2 4.5Å; Y252-V263 PolarHBondContact N-O 3.26Å; Y252-V263 PolarHBondContact O-N 2.91Å; Y252-G506 CarbonylContact C-O 3.42Å; Y252-G506 VanDerWaalsContact CA-O 3.22Å; Y252-G506 WeakPolarHBondContact CA-O 3.33Å; Y252-C507 HydrophobicContact CD1-CB 4.28Å; Y252-C507 HydrophobicContact CE1-CB 4.36Å; Y252-C507 VanDerWaalsContact CE1-SG 3.51Å; Y252-W512 AromaticContact CE1-CD1 3.59Å; Y252-W512 AromaticContact CZ-CD1 3.76Å; Y252-E515 PolarHBondContact OH-OE1 2.58Å; Y252-E515 PolarHBondContact OH-OE2 3.25Å
253A98.4Very high97Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-122.9117.9167.700000109.5K236 L250 C261 L262 F503 A504 T505 G506K236-A253 HydrophobicContact CG-CB 4.26Å; L250-A253 HydrophobicContact CD2-CB 4.45Å; A253-C261 WeakPolarHBondContact CA-O 3.38Å; A253-L262 HydrophobicContact CB-CD2 4.18Å; A253-F503 HydrophobicContact CB-CE1 4.39Å; A253-F503 WeakPolarHBondContact CB-O 3.45Å; A253-A504 CarbonylContact O-C 3.54Å; A253-T505 PolarHBondContact O-N 3.1Å; A253-G506 PolarHBondContact N-O 3.36Å; A253-G506 WeakPolarHBondContact O-CA 3.45Å; A253-G506 PolarHBondContact O-N 2.93Å
254Y98.3Very high97.3Very high4 Ų426.5 Ų26.52%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-145.5169-178.273.3-81.8000111.2V182 K184 F187 T256 C261 V263V182-Y254 HydrophobicContact CG1-CD1 4.06Å; V182-Y254 HydrophobicContact CG1-CG 4.07Å; K184-Y254 HydrophobicContact CB-CE2 4.5Å; F187-Y254 AromaticContact CD2-CE1 3.85Å; F187-Y254 HydrophobicContact CD2-CE1 3.85Å; F187-Y254 AromaticContact CD2-CZ 3.85Å; F187-Y254 AromaticContact CE2-CD1 3.81Å; F187-Y254 HydrophobicContact CE2-CD1 3.81Å; F187-Y254 AromaticContact CE2-CE1 3.36Å; F187-Y254 HydrophobicContact CE2-CE1 3.36Å; F187-Y254 AromaticContact CE2-CZ 3.81Å; F187-Y254 HydrophobicContact CZ-CD1 4.45Å; F187-Y254 HydrophobicContact CZ-CE1 4.14Å; Y254-T256 HydrophobicContact CD2-CG2 4.34Å; Y254-T256 HydrophobicContact CE2-CG2 3.76Å; Y254-C261 HydrophobicContact CD1-CB 3.72Å; Y254-C261 HydrophobicContact CD2-CB 4.25Å; Y254-C261 HydrophobicContact CE1-CB 3.34Å; Y254-C261 HydrophobicContact CE2-CB 3.92Å; Y254-C261 HydrophobicContact CG-CB 4.16Å; Y254-C261 VanDerWaalsContact CZ-CB 3.44Å; Y254-C261 PolarHBondContact N-O 3.14Å; Y254-C261 WeakPolarHBondContact O-CB 3.27Å; Y254-C261 PolarHBondContact O-N 2.56Å; Y254-V263 HydrophobicContact CD1-CG2 4.11Å; Y254-V263 HydrophobicContact CE1-CG2 3.61Å
255E97.3Very high97.3Very high71 Ų7127.7 Ų27.733%0.33214%0.137SC..EExtended strand (participates in β ladder)trans-117.4162176.167.9166167.300113.6K220 L260 Y500 A504K220-E255 WeakPolarHBondContact CE-OE2 3.4Å; K220-E255 IonicContact NZ-OE2 3.67Å; K220-E255 PolarHBondContact NZ-OE2 2.77Å; E255-L260 HydrophobicContact CB-CD2 3.74Å; E255-Y500 WeakPolarHBondContact OE2-CB 3.23Å; E255-A504 HydrophobicContact CB-CB 4.38Å; E255-A504 HydrophobicContact CG-CB 4.23Å
256T96.6Very high97.3Very high40 Ų4025.2 Ų25.225%0.24513%0.129CC..  trans-129.7178.4169.866.10000108.5K184 K220 Y254 D258 A259K184-T256 HydrophobicContact CB-CG2 4.32Å; K220-T256 WeakPolarHBondContact CE-O 3.44Å; K220-T256 PolarHBondContact NZ-O 2.59Å; Y254-T256 HydrophobicContact CD2-CG2 4.34Å; Y254-T256 HydrophobicContact CE2-CG2 3.76Å; T256-D258 PolarHBondContact O-N 3.17Å; T256-D258 PolarHBondContact OG1-N 2.92Å; T256-A259 PolarHBondContact N-O 3.25Å; T256-A259 PolarHBondContact OG1-N 3.33Å; T256-A259 PolarHBondContact OG1-O 3.34Å
257K94.7Very high97.2Very high181 Ų18125.7 Ų25.779%0.78713%0.132SC*.SBendtrans-51.1-40.4174.4-172.9178.6178.81790112.8
258D94.8Very high96.9Very high105 Ų10526.5 Ų26.556%0.56114%0.136SC*.SBendtrans-116.9-12-168.1-57.5-64.2000114.3K220 T256K220-D258 PolarHBondContact N-O 3.36Å; T256-D258 PolarHBondContact O-N 3.17Å; T256-D258 PolarHBondContact OG1-N 2.92Å
259A96.8Very high96.8Very high10 Ų1026.2 Ų26.28%0.08313%0.134CC..EExtended strand (participates in β ladder)trans-147.7149.5-172.900000113.8K217 L218 T256K217-A259 HydrophobicContact CB-CB 4.29Å; L218-A259 CarbonylContact O-C 3.5Å; L218-A259 WeakPolarHBondContact O-CA 3.48Å; L218-A259 WeakPolarHBondContact O-CB 3.34Å; T256-A259 PolarHBondContact N-O 3.25Å; T256-A259 PolarHBondContact OG1-N 3.33Å; T256-A259 PolarHBondContact OG1-O 3.34Å
260L98Very high96.7Very high0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-89.6139.2162.4-60179.9000109.1K217 L218 K220 I223 E255 F499 Y500 F503K217-L260 CarbonylContact C-O 3.55Å; K217-L260 WeakPolarHBondContact CA-O 3.39Å; L218-L260 HydrophobicContact CB-CB 4.4Å; L218-L260 PolarHBondContact N-O 2.92Å; L218-L260 PolarHBondContact O-N 3.13Å; K220-L260 HydrophobicContact CG-CG 4.36Å; I223-L260 HydrophobicContact CD1-CD1 3.87Å; I223-L260 HydrophobicContact CD1-CG 4.4Å; E255-L260 HydrophobicContact CB-CD2 3.74Å; L260-F499 HydrophobicContact CD1-CE1 3.53Å; L260-F499 HydrophobicContact CD1-CE2 4.4Å; L260-F499 HydrophobicContact CD1-CZ 3.44Å; L260-F499 VanDerWaalsContact CD1-CZ 3.44Å; L260-Y500 HydrophobicContact CD1-CD1 4.06Å; L260-Y500 HydrophobicContact CD1-CE1 4.42Å; L260-Y500 HydrophobicContact CD2-CD1 3.77Å; L260-Y500 HydrophobicContact CD2-CG 4.22Å; L260-Y500 HydrophobicContact CG-CD1 4.25Å; L260-F503 HydrophobicContact CB-CD1 3.89Å; L260-F503 HydrophobicContact CB-CE1 3.62Å; L260-F503 HydrophobicContact CB-CE2 4.41Å; L260-F503 HydrophobicContact CB-CG 4.41Å; L260-F503 HydrophobicContact CB-CZ 3.86Å; L260-F503 HydrophobicContact CD1-CB 4.25Å; L260-F503 HydrophobicContact CD1-CD1 4.14Å; L260-F503 HydrophobicContact CD1-CD2 3.91Å; L260-F503 HydrophobicContact CD1-CE1 4.48Å; L260-F503 HydrophobicContact CD1-CE2 4.24Å; L260-F503 HydrophobicContact CD1-CG 3.83Å; L260-F503 HydrophobicContact CD1-CZ 4.49Å; L260-F503 HydrophobicContact CD2-CB 4.48Å; L260-F503 HydrophobicContact CD2-CD1 4.01Å; L260-F503 HydrophobicContact CD2-CG 4.31Å; L260-F503 HydrophobicContact CG-CD1 4.23Å; L260-F503 HydrophobicContact CG-CE1 4.44Å; L260-F503 HydrophobicContact CG-CG 4.42Å
261C98.4Very high96.5Very high1 Ų127.6 Ų27.61%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-125.5125.5-170.8-610000111.1K216 A253 Y254K216-C261 WeakPolarHBondContact O-CA 3.05Å; A253-C261 WeakPolarHBondContact CA-O 3.38Å; Y254-C261 HydrophobicContact CD1-CB 3.72Å; Y254-C261 HydrophobicContact CD2-CB 4.25Å; Y254-C261 HydrophobicContact CE1-CB 3.34Å; Y254-C261 HydrophobicContact CE2-CB 3.92Å; Y254-C261 HydrophobicContact CG-CB 4.16Å; Y254-C261 VanDerWaalsContact CZ-CB 3.44Å; Y254-C261 PolarHBondContact N-O 3.14Å; Y254-C261 WeakPolarHBondContact O-CB 3.27Å; Y254-C261 PolarHBondContact O-N 2.56Å
262L98.4Very high96.4Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-105.3121.3166.8-60.9173.7000108.6C215 K216 E235 K236 L239 L250 A253 L264 F503C215-L262 CarbonylContact C-O 3.59Å; C215-L262 WeakPolarHBondContact CA-O 3.39Å; K216-L262 HydrophobicContact CB-CB 4.34Å; K216-L262 PolarHBondContact N-O 3.45Å; K216-L262 PolarHBondContact O-N 2.71Å; E235-L262 HydrophobicContact CG-CD1 4.37Å; K236-L262 HydrophobicContact CB-CD2 3.98Å; K236-L262 HydrophobicContact CG-CD2 3.84Å; L239-L262 HydrophobicContact CD1-CD1 4.19Å; L250-L262 HydrophobicContact CD1-CB 3.83Å; L250-L262 HydrophobicContact CD1-CD2 3.7Å; L250-L262 HydrophobicContact CD1-CG 4.35Å; L250-L262 HydrophobicContact CD2-CD2 4.18Å; A253-L262 HydrophobicContact CB-CD2 4.18Å; L262-L264 HydrophobicContact CB-CD2 4.06Å; L262-L264 HydrophobicContact CB-CG 4.24Å; L262-F503 HydrophobicContact CD1-CZ 4.36Å; L262-F503 HydrophobicContact CD2-CE1 3.9Å; L262-F503 HydrophobicContact CD2-CE2 4.18Å; L262-F503 HydrophobicContact CD2-CZ 3.4Å; L262-F503 VanDerWaalsContact CD2-CZ 3.4Å; L262-F503 HydrophobicContact CG-CE1 4.41Å; L262-F503 HydrophobicContact CG-CZ 3.71Å
263V98.5Very high96.2Very high0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-99.1107.2176.8-175.50000108.3F187 Y213 A214 A251 Y252 Y254F187-V263 HydrophobicContact CE1-CG1 4.05Å; F187-V263 HydrophobicContact CE1-CG2 4.05Å; F187-V263 HydrophobicContact CE2-CG2 4.22Å; F187-V263 HydrophobicContact CZ-CG2 3.77Å; Y213-V263 HydrophobicContact CD1-CG1 4.07Å; Y213-V263 HydrophobicContact CD2-CG1 4.01Å; Y213-V263 HydrophobicContact CG-CG1 3.57Å; A214-V263 CarbonylContact O-C 3.57Å; A214-V263 WeakPolarHBondContact O-CA 3.48Å; A251-V263 PolarHBondContact N-O 3.07Å; Y252-V263 HydrophobicContact CD2-CB 3.82Å; Y252-V263 HydrophobicContact CD2-CG1 3.71Å; Y252-V263 HydrophobicContact CD2-CG2 4.35Å; Y252-V263 HydrophobicContact CE2-CG1 4.46Å; Y252-V263 HydrophobicContact CG-CB 4.28Å; Y252-V263 HydrophobicContact CG-CG2 4.5Å; Y252-V263 PolarHBondContact N-O 3.26Å; Y252-V263 PolarHBondContact O-N 2.91Å; Y254-V263 HydrophobicContact CD1-CG2 4.11Å; Y254-V263 HydrophobicContact CE1-CG2 3.61Å
264L98Very high95.9Very high16 Ų1633.9 Ų33.98%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-112.5156.9-168.8-53.1176.2000110.9Y213 A214 K216 L239 S249 L250 L262 I266Y213-L264 WeakPolarHBondContact CB-O 3.06Å; Y213-L264 WeakPolarHBondContact CD1-O 3.32Å; A214-L264 PolarHBondContact N-O 3.5Å; A214-L264 PolarHBondContact O-N 3.25Å; K216-L264 HydrophobicContact CB-CD1 4.3Å; L239-L264 HydrophobicContact CD1-CD2 3.8Å; S249-L264 CarbonylContact O-C 3.6Å; S249-L264 VanDerWaalsContact O-CA 3.27Å; S249-L264 WeakPolarHBondContact O-CA 3.18Å; L250-L264 HydrophobicContact CB-CD2 4.02Å; L250-L264 HydrophobicContact CD1-CD2 3.71Å; L262-L264 HydrophobicContact CB-CD2 4.06Å; L262-L264 HydrophobicContact CB-CG 4.24Å; L264-I266 PolarHBondContact O-N 3.44Å
265T95.4Very high95.7Very high35 Ų3533.7 Ų33.722%0.21517%0.169CC..EExtended strand (participates in β ladder)trans-42.3125.7166.4-53.10000110.6S249 M267S249-T265 PolarHBondContact N-OG1 3.43Å; S249-T265 PolarHBondContact O-N 3.48Å; S249-T265 PolarHBondContact O-OG1 2.96Å; T265-M267 HydrophobicContact CG2-SD 3.89Å
266I95.3Very high95.6Very high20 Ų2030.3 Ų30.310%0.10315%0.153CC..  trans-77.8132.1175.9-166.2169.4000110.1A203 M212 L264 N268A203-I266 HydrophobicContact CB-CD1 4.1Å; M212-I266 HydrophobicContact CB-CD1 4.36Å; M212-I266 HydrophobicContact CB-CG2 4.03Å; M212-I266 HydrophobicContact CE-CD1 4.23Å; L264-I266 PolarHBondContact O-N 3.44Å; I266-N268 WeakPolarHBondContact CD1-OD1 3.43Å; I266-N268 WeakPolarHBondContact CG1-OD1 3.32Å
267M95.7Very high95.4Very high16 Ų1629.9 Ų29.98%0.07915%0.147CC..  trans-119.288.2-179.7-56.7-59.7-68.700108V248 T265 G269 L319 L320 D321 R327V248-M267 HydrophobicContact CG1-CG 4.06Å; T265-M267 HydrophobicContact CG2-SD 3.89Å; M267-G269 VanDerWaalsContact C-N 3.31Å; M267-G269 PolarHBondContact O-N 3.04Å; M267-L319 HydrophobicContact CB-CB 3.41Å; M267-L319 VanDerWaalsContact CB-CB 3.41Å; M267-L319 HydrophobicContact CB-CD1 3.91Å; M267-L319 HydrophobicContact CB-CG 4.3Å; M267-L319 HydrophobicContact CE-CB 4.29Å; M267-L319 WeakPolarHBondContact CE-O 3.42Å; M267-L319 HydrophobicContact CG-CB 3.71Å; M267-L319 HydrophobicContact CG-CD1 3.94Å; M267-L319 HydrophobicContact CG-CG 4.48Å; M267-L320 CarbonylContact C-O 3.57Å; M267-L320 VanDerWaalsContact CA-O 3.32Å; M267-L320 WeakPolarHBondContact CA-O 3.33Å; M267-L320 WeakPolarHBondContact CB-O 3.06Å; M267-D321 HydrophobicContact CE-CB 3.88Å; M267-D321 HydrophobicContact SD-CB 4.23Å; M267-R327 HydrophobicContact CE-CB 3.7Å; M267-R327 HydrophobicContact CE-CG 3.54Å; M267-R327 HydrophobicContact SD-CB 4.34Å; M267-R327 HydrophobicContact SD-CG 4.13Å
268N91.9Very high95Very high18 Ų1826 Ų2610%0.09614%0.135CC..THydrogen-bonded Turntrans-75.8-18-169.5-73.5-43.3000114.1R16 I266 G270 L320 D322R16-N268 PolarHBondContact NE-ND2 3.3Å; I266-N268 WeakPolarHBondContact CD1-OD1 3.43Å; I266-N268 WeakPolarHBondContact CG1-OD1 3.32Å; N268-G270 PolarHBondContact O-N 3.24Å; N268-L320 PolarHBondContact N-O 3.18Å; N268-D322 WeakPolarHBondContact CB-OD1 3.36Å; N268-D322 PolarHBondContact ND2-OD1 3.28Å; N268-D322 VanDerWaalsContact ND2-OD1 3.16Å; N268-D322 PolarHBondContact ND2-OD2 3.15Å
269G94.4Very high94.5Very high0 Ų023.8 Ų23.80%012%0.123CC..THydrogen-bonded Turntrans-74.5-3.2179.800000113.7M267 H275 L320 Y474M267-G269 VanDerWaalsContact C-N 3.31Å; M267-G269 PolarHBondContact O-N 3.04Å; G269-H275 PolarHBondContact O-NE2 2.93Å; G269-L320 WeakPolarHBondContact CA-O 3.22Å; G269-L320 PolarHBondContact N-O 2.79Å; G269-Y474 VanDerWaalsContact O-CB 3.23Å; G269-Y474 WeakPolarHBondContact O-CB 3.33Å
270G94.1Very high93.9Very high10 Ų1026.7 Ų26.710%0.10315%0.153CC..EExtended strand (participates in β ladder)trans79.3-176.1-179.800000113.1N268 L319 L320 Y474N268-G270 PolarHBondContact O-N 3.24Å; G270-L319 CarbonylContact O-C 3.43Å; G270-L319 WeakPolarHBondContact O-CA 3.4Å; G270-L320 PolarHBondContact O-N 3.46Å; G270-Y474 WeakPolarHBondContact CA-O 3.21Å
271D95.3Very high93.5Very high48 Ų4833.7 Ų33.726%0.25719%0.191SC..EExtended strand (participates in β ladder)trans-91.9153.4-178.462.370.9000113.2K273 F274 H275 I318 L319D271-K273 PolarHBondContact O-N 3.13Å; D271-K273 WeakPolarHBondContact OD1-CA 3.42Å; D271-K273 WeakPolarHBondContact OD1-CB 3.4Å; D271-K273 PolarHBondContact OD1-N 2.82Å; D271-K273 VanDerWaalsContact OD1-N 3.15Å; D271-F274 WeakPolarHBondContact O-CB 3.5Å; D271-F274 PolarHBondContact O-N 2.8Å; D271-F274 VanDerWaalsContact O-N 3.1Å; D271-F274 PolarHBondContact OD1-N 3.34Å; D271-H275 PolarHBondContact O-CD2 3.23Å; D271-H275 VanDerWaalsContact O-CD2 3.3Å; D271-H275 PolarHBondContact O-N 3.36Å; D271-I318 CarbonylContact C-O 3.55Å; D271-I318 VanDerWaalsContact CA-O 3.31Å; D271-I318 WeakPolarHBondContact CA-O 3.21Å; D271-L319 HydrophobicContact CB-CD2 3.63Å
272L96.4Very high93.3Very high0 Ų036.3 Ų36.30%021%0.208CC..Hα-helixtrans-59.5-28.7-179.7-81.9-174.6000112.8F274 H275 I276 F284 Y292 P315 I318 L320 I326 M379L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 3.37Å; L272-H275 PolarHBondContact O-N 3.09Å; L272-I276 WeakPolarHBondContact O-CB 3.39Å; L272-I276 VanDerWaalsContact O-CG1 3.23Å; L272-I276 WeakPolarHBondContact O-CG1 3.08Å; L272-I276 PolarHBondContact O-N 3.31Å; L272-F284 HydrophobicContact CD2-CE2 3.94Å; L272-F284 HydrophobicContact CD2-CZ 4.01Å; L272-Y292 HydrophobicContact CD2-CD2 3.77Å; L272-Y292 HydrophobicContact CD2-CE2 3.79Å; L272-P315 HydrophobicContact CB-CB 4.09Å; L272-P315 WeakPolarHBondContact CB-O 3.42Å; L272-P315 PolarHBondContact N-O 3.45Å; L272-P315 VanDerWaalsContact N-O 3.17Å; L272-I318 HydrophobicContact CB-CB 4.28Å; L272-I318 HydrophobicContact CD1-CB 3.61Å; L272-I318 HydrophobicContact CD1-CG1 4.14Å; L272-I318 HydrophobicContact CD1-CG2 3.46Å; L272-I318 VanDerWaalsContact CD1-CG2 3.46Å; L272-I318 HydrophobicContact CG-CB 3.83Å; L272-I318 HydrophobicContact CG-CG2 3.78Å; L272-I318 PolarHBondContact N-O 2.91Å; L272-L320 HydrophobicContact CD2-CD1 3.83Å; L272-L320 HydrophobicContact CG-CD1 4.26Å; L272-I326 HydrophobicContact CD2-CG2 4.49Å; L272-M379 HydrophobicContact CD1-SD 4Å
273K94.5Very high93.1Very high86 Ų8637 Ų3737%0.37422%0.215SC..Hα-helixtrans-61.1-45.5176.3-176.8-179.2-177165.80111D271 H275 I276 Y277 P315 E316D271-K273 PolarHBondContact O-N 3.13Å; D271-K273 WeakPolarHBondContact OD1-CA 3.42Å; D271-K273 WeakPolarHBondContact OD1-CB 3.4Å; D271-K273 PolarHBondContact OD1-N 2.82Å; D271-K273 VanDerWaalsContact OD1-N 3.15Å; K273-H275 VanDerWaalsContact C-N 3.28Å; K273-H275 PolarHBondContact O-N 2.61Å; K273-I276 PolarHBondContact O-N 3.01Å; K273-Y277 HydrophobicContact CG-CD2 3.64Å; K273-Y277 HydrophobicContact CG-CE2 4.08Å; K273-Y277 VanDerWaalsContact O-CD2 3.29Å; K273-Y277 WeakPolarHBondContact O-CD2 3.47Å; K273-Y277 PolarHBondContact O-N 2.91Å; K273-P315 HydrophobicContact CB-CB 3.87Å; K273-P315 PolarHBondContact N-O 3.03Å; K273-E316 HydrophobicContact CB-CG 4.28Å; K273-E316 HydrophobicContact CD-CG 3.56Å; K273-E316 WeakPolarHBondContact CD-OE1 3.33Å; K273-E316 IonicContact NZ-OE1 3.98Å; K273-E316 PolarHBondContact NZ-OE1 3.49Å
274F91.7Very high93Very high50 Ų5038 Ų3822%0.21922%0.219CC..Hα-helixtrans-58.6-44.3175.4-174.2-89.9000110.8D271 L272 N278 L279 Y474D271-F274 WeakPolarHBondContact O-CB 3.5Å; D271-F274 PolarHBondContact O-N 2.8Å; D271-F274 VanDerWaalsContact O-N 3.1Å; D271-F274 PolarHBondContact OD1-N 3.34Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 3.37Å; F274-N278 HydrophobicContact CD1-CB 4.44Å; F274-N278 HydrophobicContact CD2-CB 3.8Å; F274-N278 HydrophobicContact CE1-CB 4.39Å; F274-N278 HydrophobicContact CE2-CB 3.76Å; F274-N278 HydrophobicContact CG-CB 4.16Å; F274-N278 HydrophobicContact CZ-CB 4.06Å; F274-N278 WeakPolarHBondContact O-CA 3.47Å; F274-N278 VanDerWaalsContact O-CB 3.25Å; F274-N278 WeakPolarHBondContact O-CB 3.27Å; F274-N278 PolarHBondContact O-N 2.95Å; F274-L279 HydrophobicContact CD1-CG 4.31Å; F274-L279 HydrophobicContact CE1-CD2 3.94Å; F274-L279 HydrophobicContact CE1-CG 4.09Å; F274-L279 PolarHBondContact O-N 2.82Å; F274-Y474 HydrophobicContact CD1-CD1 4.16Å; F274-Y474 AromaticContact CE1-CD1 3.84Å; F274-Y474 HydrophobicContact CE1-CD1 3.84Å
275H94.4Very high92.9Very high1 Ų141.4 Ų41.41%0.00524%0.238CC..Hα-helixtrans-63.6-43.3177.8-75-93.8000112.7G269 D271 L272 K273 L279 F284 R288 F466G269-H275 PolarHBondContact O-NE2 2.93Å; D271-H275 PolarHBondContact O-CD2 3.23Å; D271-H275 VanDerWaalsContact O-CD2 3.3Å; D271-H275 PolarHBondContact O-N 3.36Å; L272-H275 PolarHBondContact O-N 3.09Å; K273-H275 VanDerWaalsContact C-N 3.28Å; K273-H275 PolarHBondContact O-N 2.61Å; H275-L279 HydrophobicContact CB-CD1 4.25Å; H275-L279 WeakPolarHBondContact ND1-CD1 3.29Å; H275-F284 HydrophobicContact CB-CE1 3.71Å; H275-F284 HydrophobicContact CB-CZ 3.6Å; H275-F284 WeakPolarHBondContact O-CE1 3.22Å; H275-R288 PolarHBondContact ND1-NH2 3.42Å; H275-F466 AromaticContact CE1-CE1 3.44Å; H275-F466 VanDerWaalsContact CE1-CE1 3.44Å; H275-F466 WeakPolarHBondContact CE1-CE1 3.4Å; H275-F466 AromaticContact CE1-CZ 3.84Å; H275-F466 AromaticContact ND1-CE1 3.78Å
276I94.8Very high92.9Very high0 Ų042.3 Ų42.30%024%0.24CC..Hα-helixtrans-68.7-39.7-177.6-67.9168.2000111.5L272 K273 P282 G283 F284 P315 E378 M379L272-I276 WeakPolarHBondContact O-CB 3.39Å; L272-I276 VanDerWaalsContact O-CG1 3.23Å; L272-I276 WeakPolarHBondContact O-CG1 3.08Å; L272-I276 PolarHBondContact O-N 3.31Å; K273-I276 PolarHBondContact O-N 3.01Å; I276-P282 WeakPolarHBondContact O-CA 3.15Å; I276-G283 PolarHBondContact O-N 3.38Å; I276-F284 HydrophobicContact CB-CZ 4.36Å; I276-F284 HydrophobicContact CD1-CE2 4.46Å; I276-F284 HydrophobicContact CD1-CZ 4.42Å; I276-F284 HydrophobicContact CG1-CE1 3.93Å; I276-F284 HydrophobicContact CG1-CE2 3.77Å; I276-F284 HydrophobicContact CG1-CZ 3.37Å; I276-P315 HydrophobicContact CD1-CB 4.04Å; I276-P315 HydrophobicContact CD1-CG 4.1Å; I276-E378 HydrophobicContact CD1-CG 4.29Å; I276-M379 HydrophobicContact CD1-CG 3.91Å; I276-M379 HydrophobicContact CG1-CG 4.44Å
277Y91.9Very high93Very high31 Ų3148.4 Ų48.412%0.12227%0.267CS..Hα-helixtrans-111.1-20-166.1-66.5-71.5000115.3K273 E378 G382 Y389K273-Y277 HydrophobicContact CG-CD2 3.64Å; K273-Y277 HydrophobicContact CG-CE2 4.08Å; K273-Y277 VanDerWaalsContact O-CD2 3.29Å; K273-Y277 WeakPolarHBondContact O-CD2 3.47Å; K273-Y277 PolarHBondContact O-N 2.91Å; Y277-E378 WeakPolarHBondContact CE2-OE1 3.35Å; Y277-E378 VanDerWaalsContact CZ-OE1 3.32Å; Y277-E378 PolarHBondContact OH-OE1 3.36Å; Y277-G382 VanDerWaalsContact CE1-O 3.22Å; Y277-G382 WeakPolarHBondContact CE1-O 3.41Å; Y277-Y389 AromaticContact CD1-CD2 3.34Å; Y277-Y389 HydrophobicContact CD1-CD2 3.34Å; Y277-Y389 AromaticContact CD1-CE2 3.23Å; Y277-Y389 HydrophobicContact CD1-CE2 3.23Å; Y277-Y389 HydrophobicContact CD1-CG 4.15Å; Y277-Y389 AromaticContact CD1-CZ 3.98Å; Y277-Y389 AromaticContact CE1-CD2 3.18Å; Y277-Y389 HydrophobicContact CE1-CD2 3.18Å; Y277-Y389 AromaticContact CE1-CE2 3.59Å; Y277-Y389 HydrophobicContact CE1-CE2 3.59Å; Y277-Y389 AromaticContact CE1-CG 3.96Å; Y277-Y389 HydrophobicContact CE1-CG 3.96Å; Y277-Y389 HydrophobicContact CG-CD2 4.25Å; Y277-Y389 AromaticContact CG-CE2 3.77Å; Y277-Y389 HydrophobicContact CG-CE2 3.77Å
278N86.9Confident93.1Very high99 Ų9948.5 Ų48.553%0.52927%0.267SS..Hα-helixtrans-115.1-14.6-173.3-66.190.9000113.3F274F274-N278 HydrophobicContact CD1-CB 4.44Å; F274-N278 HydrophobicContact CD2-CB 3.8Å; F274-N278 HydrophobicContact CE1-CB 4.39Å; F274-N278 HydrophobicContact CE2-CB 3.76Å; F274-N278 HydrophobicContact CG-CB 4.16Å; F274-N278 HydrophobicContact CZ-CB 4.06Å; F274-N278 WeakPolarHBondContact O-CA 3.47Å; F274-N278 VanDerWaalsContact O-CB 3.25Å; F274-N278 WeakPolarHBondContact O-CB 3.27Å; F274-N278 PolarHBondContact O-N 2.95Å
279L83.2Confident93.4Very high59 Ų5947.7 Ų47.731%0.30926%0.262SS..SBendtrans-96.895.2173.5-66.7-178.5000110.8F274 H275 F466 Y474F274-L279 HydrophobicContact CD1-CG 4.31Å; F274-L279 HydrophobicContact CE1-CD2 3.94Å; F274-L279 HydrophobicContact CE1-CG 4.09Å; F274-L279 PolarHBondContact O-N 2.82Å; H275-L279 HydrophobicContact CB-CD1 4.25Å; H275-L279 WeakPolarHBondContact ND1-CD1 3.29Å; L279-F466 HydrophobicContact CD1-CZ 4.4Å; L279-Y474 HydrophobicContact CD1-CE1 4.37Å; L279-Y474 HydrophobicContact CD2-CE1 4.48Å
280G84.4Confident93.6Very high70 Ų7048.4 Ų48.472%0.72227%0.267SS*.SBendtrans69.2-137.4174.700000113.4
281N90.2Very high93.9Very high148 Ų14848.5 Ų48.579%0.79127%0.265SS*.SBendtrans-77.6139.6178.4-70.8-29.9000110.4G283N281-G283 PolarHBondContact O-N 3.09Å
282P93.8Very high94Very high56 Ų5646.2 Ų46.236%0.36425%0.252SS..SBendtrans-57.5133-176.8-28.235.2000115I276 K412I276-P282 WeakPolarHBondContact O-CA 3.15Å; P282-K412 PolarHBondContact O-NZ 3.11Å
283G95.1Very high94.1Very high14 Ų1446.3 Ų46.314%0.14425%0.253CS..SBendtrans96.1178.6-177.500000113.9I276 N281 M379I276-G283 PolarHBondContact O-N 3.38Å; N281-G283 PolarHBondContact O-N 3.09Å; G283-M379 CarbonylContact C-O 3.58Å; G283-M379 WeakPolarHBondContact CA-O 3.35Å
284F95.9Very high94.3Very high21 Ų2142.2 Ų42.29%0.09224%0.235CC..  trans-118.5165.4180-53.2-34.6000110.6L272 H275 I276 R288 Y292 M379L272-F284 HydrophobicContact CD2-CE2 3.94Å; L272-F284 HydrophobicContact CD2-CZ 4.01Å; H275-F284 HydrophobicContact CB-CE1 3.71Å; H275-F284 HydrophobicContact CB-CZ 3.6Å; H275-F284 WeakPolarHBondContact O-CE1 3.22Å; I276-F284 HydrophobicContact CB-CZ 4.36Å; I276-F284 HydrophobicContact CD1-CE2 4.46Å; I276-F284 HydrophobicContact CD1-CZ 4.42Å; I276-F284 HydrophobicContact CG1-CE1 3.93Å; I276-F284 HydrophobicContact CG1-CE2 3.77Å; I276-F284 HydrophobicContact CG1-CZ 3.37Å; F284-R288 HydrophobicContact CB-CB 4.2Å; F284-R288 HydrophobicContact CB-CG 4.32Å; F284-R288 HydrophobicContact CD2-CG 4.29Å; F284-R288 HydrophobicContact CG-CG 4.29Å; F284-Y292 HydrophobicContact CD2-CD2 4.39Å; F284-Y292 HydrophobicContact CD2-CE2 4.46Å; F284-Y292 HydrophobicContact CE2-CD2 4.07Å; F284-Y292 HydrophobicContact CE2-CE2 4.08Å; F284-M379 HydrophobicContact CD2-CB 3.75Å; F284-M379 HydrophobicContact CD2-CG 3.82Å; F284-M379 HydrophobicContact CD2-SD 4.08Å; F284-M379 HydrophobicContact CE2-CB 4.08Å; F284-M379 HydrophobicContact CE2-CG 3.64Å; F284-M379 HydrophobicContact CE2-SD 3.86Å; F284-M379 PolarHBondContact N-O 3.22Å
285D95.3Very high94.7Very high88 Ų8839.9 Ų39.947%0.47123%0.225SC..  trans-63.1154.2157.363.893.1000110.7Q287 R288 A289D285-Q287 VanDerWaalsContact C-N 3.3Å; D285-Q287 PolarHBondContact O-N 2.65Å; D285-Q287 WeakPolarHBondContact OD1-CB 3.16Å; D285-Q287 PolarHBondContact OD1-N 3.28Å; D285-R288 PolarHBondContact O-N 3.41Å; D285-R288 WeakPolarHBondContact OD1-CB 3.4Å; D285-R288 PolarHBondContact OD1-N 3.43Å; D285-R288 WeakPolarHBondContact OD2-CB 3.32Å; D285-A289 PolarHBondContact O-N 3.18Å; D285-A289 VanDerWaalsContact O-N 3.14Å
286E96.5Very high94.9Very high54 Ų5439.9 Ų39.925%0.25223%0.225SC..Hα-helixtrans-62.9-36.3-175.7-170.5172.5119.900112R288 A289 V290 I380 S414 A417E286-R288 PolarHBondContact O-N 3.36Å; E286-A289 PolarHBondContact O-N 2.89Å; E286-V290 HydrophobicContact CG-CG2 4.04Å; E286-V290 WeakPolarHBondContact O-CB 3.44Å; E286-V290 VanDerWaalsContact O-CG2 3.22Å; E286-V290 WeakPolarHBondContact O-CG2 3.37Å; E286-V290 PolarHBondContact O-N 3.03Å; E286-I380 HydrophobicContact CG-CD1 4.22Å; E286-S414 VanDerWaalsContact OE1-CB 3.25Å; E286-S414 WeakPolarHBondContact OE1-CB 3.48Å; E286-S414 PolarHBondContact OE1-OG 3.07Å; E286-S414 VanDerWaalsContact OE2-CB 3.27Å; E286-S414 WeakPolarHBondContact OE2-CB 3.34Å; E286-S414 PolarHBondContact OE2-N 3.36Å; E286-S414 PolarHBondContact OE2-OG 3.44Å; E286-S414 VanDerWaalsContact OE2-OG 3.1Å; E286-A417 HydrophobicContact CG-CB 4.29Å; E286-A417 WeakPolarHBondContact OE2-CB 3.19Å
287Q97.1Very high95.1Very high147 Ų14739.9 Ų39.969%0.68723%0.225SC*.Hα-helixtrans-60.6-44.7179.6-178.8-177.83.100111.3D285 F291D285-Q287 VanDerWaalsContact C-N 3.3Å; D285-Q287 PolarHBondContact O-N 2.65Å; D285-Q287 WeakPolarHBondContact OD1-CB 3.16Å; D285-Q287 PolarHBondContact OD1-N 3.28Å; Q287-F291 WeakPolarHBondContact O-CB 3.28Å; Q287-F291 PolarHBondContact O-N 2.95Å
288R97.9Very high95.4Very high19 Ų1938.4 Ų38.47%0.07222%0.219CC..Hα-helixtrans-64.6-44.6175-176.6176-174.4-161.4-3.5112.6H275 F284 D285 E286 V290 F291 Y292 P465 F466H275-R288 PolarHBondContact ND1-NH2 3.42Å; F284-R288 HydrophobicContact CB-CB 4.2Å; F284-R288 HydrophobicContact CB-CG 4.32Å; F284-R288 HydrophobicContact CD2-CG 4.29Å; F284-R288 HydrophobicContact CG-CG 4.29Å; D285-R288 PolarHBondContact O-N 3.41Å; D285-R288 WeakPolarHBondContact OD1-CB 3.4Å; D285-R288 PolarHBondContact OD1-N 3.43Å; D285-R288 WeakPolarHBondContact OD2-CB 3.32Å; E286-R288 PolarHBondContact O-N 3.36Å; R288-V290 PolarHBondContact O-N 3.47Å; R288-F291 PolarHBondContact O-N 3.42Å; R288-Y292 HydrophobicContact CG-CD2 4.12Å; R288-Y292 HydrophobicContact CG-CE2 3.57Å; R288-Y292 VanDerWaalsContact NE-CE2 3.33Å; R288-Y292 PolarHBondContact NE-OH 3.04Å; R288-Y292 PolarHBondContact NH2-OH 3.09Å; R288-Y292 PolarHBondContact O-N 3.44Å; R288-Y292 VanDerWaalsContact O-N 3.15Å; R288-P465 HydrophobicContact CB-CG 4.06Å; R288-P465 HydrophobicContact CG-CG 4.23Å; R288-F466 VanDerWaalsContact CZ-CG 3.49Å
289A98.4Very high95.9Very high0 Ų033.7 Ų33.70%019%0.194CC..Hα-helixtrans-62.2-42.8177.900000112.1D285 E286 Y292 A293 M379 I380D285-A289 PolarHBondContact O-N 3.18Å; D285-A289 VanDerWaalsContact O-N 3.14Å; E286-A289 PolarHBondContact O-N 2.89Å; A289-Y292 PolarHBondContact O-N 2.68Å; A289-A293 VanDerWaalsContact O-CB 3.28Å; A289-A293 WeakPolarHBondContact O-CB 3.34Å; A289-A293 PolarHBondContact O-N 3.47Å; A289-M379 HydrophobicContact CB-CB 3.8Å; A289-M379 HydrophobicContact CB-CE 4.31Å; A289-M379 WeakPolarHBondContact O-CE 3.36Å; A289-I380 HydrophobicContact CB-CD1 4.28Å; A289-I380 HydrophobicContact CB-CG1 3.62Å
290V98.6Very high96.7Very high15 Ų1530.9 Ų30.99%0.09118%0.179CC..Hα-helixtrans-66-40.8178.3170.20000111.5E286 R288 A293 A294 V448 F449E286-V290 HydrophobicContact CG-CG2 4.04Å; E286-V290 WeakPolarHBondContact O-CB 3.44Å; E286-V290 VanDerWaalsContact O-CG2 3.22Å; E286-V290 WeakPolarHBondContact O-CG2 3.37Å; E286-V290 PolarHBondContact O-N 3.03Å; R288-V290 PolarHBondContact O-N 3.47Å; V290-A293 PolarHBondContact O-N 2.88Å; V290-A294 PolarHBondContact O-N 3.33Å; V290-V448 HydrophobicContact CG1-CG2 4.49Å; V290-V448 WeakPolarHBondContact CG1-O 3.45Å; V290-V448 HydrophobicContact CG2-CG2 3.63Å; V290-F449 HydrophobicContact CG1-CD1 3.77Å; V290-F449 HydrophobicContact CG1-CE1 4Å
291F98.8Very high97.3Very high13 Ų1329.7 Ų29.76%0.05716%0.155CC..Hα-helixtrans-60.3-49.9176.2-172.8-86.9000111.5Q287 R288 A293 A294 E295 I452 L457 L462 P464 P465Q287-F291 WeakPolarHBondContact O-CB 3.28Å; Q287-F291 PolarHBondContact O-N 2.95Å; R288-F291 PolarHBondContact O-N 3.42Å; F291-A293 VanDerWaalsContact C-N 3.33Å; F291-A293 PolarHBondContact O-N 2.86Å; F291-A294 WeakPolarHBondContact O-CB 3.46Å; F291-A294 PolarHBondContact O-N 3.47Å; F291-E295 HydrophobicContact CD1-CG 4.39Å; F291-E295 HydrophobicContact CE1-CG 4.07Å; F291-E295 PolarHBondContact O-N 3.38Å; F291-E295 VanDerWaalsContact O-N 3.13Å; F291-I452 HydrophobicContact CD2-CD1 4.46Å; F291-L457 HydrophobicContact CE1-CD1 4.42Å; F291-L457 HydrophobicContact CE2-CD1 3.9Å; F291-L457 HydrophobicContact CZ-CD1 3.77Å; F291-L462 HydrophobicContact CE2-CB 4Å; F291-L462 HydrophobicContact CZ-CB 4.47Å; F291-P464 HydrophobicContact CE1-CB 3.89Å; F291-P464 HydrophobicContact CE1-CG 4.01Å; F291-P464 HydrophobicContact CZ-CB 4.19Å; F291-P464 HydrophobicContact CZ-CG 4.09Å; F291-P465 HydrophobicContact CB-CG 3.88Å; F291-P465 HydrophobicContact CD1-CG 4.49Å; F291-P465 VanDerWaalsContact CG-CD 3.47Å; F291-P465 HydrophobicContact CG-CG 4.11Å
292Y98.8Very high97.7Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-64.8-36.6176.9-63.2-27.7000112.4L272 F284 R288 A289 A294 E295 L296 L320 G324 I326 M379L272-Y292 HydrophobicContact CD2-CD2 3.77Å; L272-Y292 HydrophobicContact CD2-CE2 3.79Å; F284-Y292 HydrophobicContact CD2-CD2 4.39Å; F284-Y292 HydrophobicContact CD2-CE2 4.46Å; F284-Y292 HydrophobicContact CE2-CD2 4.07Å; F284-Y292 HydrophobicContact CE2-CE2 4.08Å; R288-Y292 HydrophobicContact CG-CD2 4.12Å; R288-Y292 HydrophobicContact CG-CE2 3.57Å; R288-Y292 VanDerWaalsContact NE-CE2 3.33Å; R288-Y292 PolarHBondContact NE-OH 3.04Å; R288-Y292 PolarHBondContact NH2-OH 3.09Å; R288-Y292 PolarHBondContact O-N 3.44Å; R288-Y292 VanDerWaalsContact O-N 3.15Å; A289-Y292 PolarHBondContact O-N 2.68Å; Y292-A294 VanDerWaalsContact C-N 3.29Å; Y292-A294 PolarHBondContact O-N 2.8Å; Y292-E295 PolarHBondContact O-N 2.72Å; Y292-L296 VanDerWaalsContact O-CG 3.3Å; Y292-L296 WeakPolarHBondContact O-CG 3.41Å; Y292-L296 PolarHBondContact O-N 3.05Å; Y292-L320 WeakPolarHBondContact OH-CD2 3.43Å; Y292-G324 WeakPolarHBondContact CE1-O 3.49Å; Y292-I326 HydrophobicContact CD1-CG1 4.21Å; Y292-I326 HydrophobicContact CD1-CG2 3.62Å; Y292-I326 HydrophobicContact CE1-CG2 3.85Å; Y292-I326 HydrophobicContact CG-CG2 4.02Å; Y292-I326 WeakPolarHBondContact O-CD1 3.31Å; Y292-M379 HydrophobicContact CD2-SD 4.04Å
293A98.8Very high97.9Very high1 Ų121.1 Ų21.11%0.00811%0.106CC..Hα-helixtrans-62.3-36.6174.800000112.6A289 V290 F291 L296 C297 L372 I376 M379 F449A289-A293 VanDerWaalsContact O-CB 3.28Å; A289-A293 WeakPolarHBondContact O-CB 3.34Å; A289-A293 PolarHBondContact O-N 3.47Å; V290-A293 PolarHBondContact O-N 2.88Å; F291-A293 VanDerWaalsContact C-N 3.33Å; F291-A293 PolarHBondContact O-N 2.86Å; A293-L296 PolarHBondContact O-N 2.56Å; A293-C297 WeakPolarHBondContact O-CB 3.42Å; A293-C297 PolarHBondContact O-N 2.95Å; A293-L372 HydrophobicContact CB-CD1 4.42Å; A293-I376 HydrophobicContact CB-CD1 3.91Å; A293-I376 HydrophobicContact CB-CG1 3.62Å; A293-M379 HydrophobicContact CB-CE 4.43Å; A293-F449 HydrophobicContact CB-CE1 4.12Å; A293-F449 HydrophobicContact CB-CZ 4.21Å
294A98.8Very high97.9Very high0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-66.2-43.5174.900000111.6V290 F291 Y292 C297 C298 F449 I452 F454 L457V290-A294 PolarHBondContact O-N 3.33Å; F291-A294 WeakPolarHBondContact O-CB 3.46Å; F291-A294 PolarHBondContact O-N 3.47Å; Y292-A294 VanDerWaalsContact C-N 3.29Å; Y292-A294 PolarHBondContact O-N 2.8Å; A294-C297 WeakPolarHBondContact O-CB 3.26Å; A294-C297 PolarHBondContact O-N 3.02Å; A294-C298 PolarHBondContact O-N 3.21Å; A294-C298 VanDerWaalsContact O-N 3.15Å; A294-F449 HydrophobicContact CB-CD1 4.02Å; A294-F449 HydrophobicContact CB-CE1 3.94Å; A294-I452 HydrophobicContact CB-CG1 4.5Å; A294-I452 HydrophobicContact CB-CG2 4Å; A294-F454 HydrophobicContact CB-CE1 3.78Å; A294-F454 HydrophobicContact CB-CZ 3.96Å; A294-L457 HydrophobicContact CB-CD2 3.62Å
295E98.8Very high97.9Very high1 Ų127.8 Ų27.81%0.00513%0.127CC..Hα-helixtrans-63.9-41.4175-67-163.813000112.1F246 F291 Y292 C297 C298 G299 H325 I326 L457F246-E295 HydrophobicContact CD1-CB 3.8Å; F246-E295 HydrophobicContact CD1-CG 4.22Å; F246-E295 HydrophobicContact CE1-CB 3.83Å; F246-E295 HydrophobicContact CE1-CG 3.79Å; F246-E295 WeakPolarHBondContact CG-O 3.49Å; F291-E295 HydrophobicContact CD1-CG 4.39Å; F291-E295 HydrophobicContact CE1-CG 4.07Å; F291-E295 PolarHBondContact O-N 3.38Å; F291-E295 VanDerWaalsContact O-N 3.13Å; Y292-E295 PolarHBondContact O-N 2.72Å; E295-C297 VanDerWaalsContact C-N 3.34Å; E295-C297 PolarHBondContact O-N 2.76Å; E295-C298 PolarHBondContact O-N 3.19Å; E295-G299 PolarHBondContact O-N 2.63Å; E295-H325 IonicContact OE1-CE1 2.94Å; E295-H325 IonicContact OE1-CG 2.77Å; E295-H325 IonicContact OE1-ND1 3.05Å; E295-H325 PolarHBondContact OE1-ND1 3.19Å; E295-I326 HydrophobicContact CB-CD1 3.8Å; E295-I326 HydrophobicContact CB-CG1 3.57Å; E295-I326 HydrophobicContact CG-CG1 4.3Å; E295-I326 WeakPolarHBondContact OE2-CG1 3.44Å; E295-I326 PolarHBondContact OE2-N 3.48Å; E295-L457 HydrophobicContact CG-CD1 3.85Å; E295-L457 HydrophobicContact CG-CD2 4.15Å; E295-L457 HydrophobicContact CG-CG 4.25Å
296L98.8Very high98Very high1 Ų126.9 Ų26.91%0.00512%0.12CC..Hα-helixtrans-62-41.7173.8-71.5174.9000111.7Y292 A293 C298 G299 L300 L313 I318 I326 I328 L372 L375Y292-L296 VanDerWaalsContact O-CG 3.3Å; Y292-L296 WeakPolarHBondContact O-CG 3.41Å; Y292-L296 PolarHBondContact O-N 3.05Å; A293-L296 PolarHBondContact O-N 2.56Å; L296-C298 VanDerWaalsContact C-N 3.32Å; L296-C298 PolarHBondContact O-N 3.41Å; L296-G299 PolarHBondContact O-N 3.16Å; L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 WeakPolarHBondContact O-CG 3.45Å; L296-L300 PolarHBondContact O-N 2.52Å; L296-L313 HydrophobicContact CD2-CD1 4.42Å; L296-I318 HydrophobicContact CD2-CD1 3.48Å; L296-I318 VanDerWaalsContact CD2-CD1 3.48Å; L296-I318 HydrophobicContact CD2-CG1 3.92Å; L296-I318 HydrophobicContact CD2-CG2 4.03Å; L296-I326 HydrophobicContact CB-CD1 4.41Å; L296-I326 HydrophobicContact CD1-CD1 4.4Å; L296-I326 HydrophobicContact CD2-CD1 3.42Å; L296-I326 VanDerWaalsContact CD2-CD1 3.42Å; L296-I326 HydrophobicContact CG-CD1 3.42Å; L296-I326 VanDerWaalsContact CG-CD1 3.42Å; L296-I328 HydrophobicContact CD2-CG1 3.99Å; L296-L372 HydrophobicContact CB-CD1 3.73Å; L296-L372 HydrophobicContact CD1-CD1 3.91Å; L296-L372 HydrophobicContact CG-CD1 4.48Å; L296-L375 HydrophobicContact CD1-CB 4.4Å; L296-L375 HydrophobicContact CD1-CD1 3.52Å
297C98.7Very high97.9Very high0 Ų027.7 Ų27.70%012%0.121CC..Hα-helixtrans-57.7-45.6177.4-177.80000111.1A293 A294 E295 L300 E301 L372A293-C297 WeakPolarHBondContact O-CB 3.42Å; A293-C297 PolarHBondContact O-N 2.95Å; A294-C297 WeakPolarHBondContact O-CB 3.26Å; A294-C297 PolarHBondContact O-N 3.02Å; E295-C297 VanDerWaalsContact C-N 3.34Å; E295-C297 PolarHBondContact O-N 2.76Å; C297-L300 PolarHBondContact O-N 3.38Å; C297-E301 WeakPolarHBondContact O-CB 3.14Å; C297-E301 PolarHBondContact O-N 3.06Å; C297-L372 HydrophobicContact CB-CD2 4.44Å
298C98.6Very high98Very high0 Ų020.7 Ų20.70%09%0.088CC..Hα-helixtrans-64.5-42.1174.6-67.60000112.6F246 A294 E295 L296 L300 E301 D302F246-C298 HydrophobicContact CD2-CB 3.34Å; F246-C298 HydrophobicContact CE1-CB 4.4Å; F246-C298 HydrophobicContact CE2-CB 3.11Å; F246-C298 HydrophobicContact CG-CB 4.09Å; F246-C298 HydrophobicContact CZ-CB 3.68Å; A294-C298 PolarHBondContact O-N 3.21Å; A294-C298 VanDerWaalsContact O-N 3.15Å; E295-C298 PolarHBondContact O-N 3.19Å; L296-C298 VanDerWaalsContact C-N 3.32Å; L296-C298 PolarHBondContact O-N 3.41Å; C298-L300 VanDerWaalsContact C-N 3.34Å; C298-L300 PolarHBondContact O-N 2.82Å; C298-E301 PolarHBondContact O-N 2.85Å; C298-D302 PolarHBondContact O-N 2.8Å
299G98.5Very high98Very high0 Ų019.8 Ų19.80%09%0.085CC..Hα-helixtrans-62.5-39.2176.600000113.5F246 E295 L296 D302 L303F246-G299 VanDerWaalsContact CB-CA 3.45Å; E295-G299 PolarHBondContact O-N 2.63Å; L296-G299 PolarHBondContact O-N 3.16Å; G299-D302 PolarHBondContact O-N 3.37Å; G299-L303 WeakPolarHBondContact O-CG 3.48Å; G299-L303 PolarHBondContact O-N 3.01Å; G299-L303 VanDerWaalsContact O-N 3.13Å
300L98.5Very high98Very high0 Ų019.9 Ų19.90%09%0.085CC..Hα-helixtrans-67.6-40.9174.1-68.6-178.7000111.8L296 C297 C298 D302 L303 Q304 L313 I328 D368 W369 L372L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 WeakPolarHBondContact O-CG 3.45Å; L296-L300 PolarHBondContact O-N 2.52Å; C297-L300 PolarHBondContact O-N 3.38Å; C298-L300 VanDerWaalsContact C-N 3.34Å; C298-L300 PolarHBondContact O-N 2.82Å; L300-D302 VanDerWaalsContact C-N 3.34Å; L300-D302 PolarHBondContact O-N 3.39Å; L300-L303 PolarHBondContact O-N 3.32Å; L300-Q304 WeakPolarHBondContact O-CB 3.44Å; L300-Q304 WeakPolarHBondContact O-CG 3.43Å; L300-Q304 PolarHBondContact O-N 3.15Å; L300-L313 HydrophobicContact CD1-CD2 4.28Å; L300-L313 HydrophobicContact CD2-CD1 4.34Å; L300-I328 HydrophobicContact CD2-CD1 4.09Å; L300-I328 HydrophobicContact CG-CD1 4.47Å; L300-D368 HydrophobicContact CD1-CB 4.15Å; L300-D368 HydrophobicContact CD2-CB 3.82Å; L300-W369 HydrophobicContact CB-CH2 4.29Å; L300-W369 HydrophobicContact CB-CZ3 4.38Å; L300-W369 HydrophobicContact CD1-CE3 4.12Å; L300-W369 HydrophobicContact CD1-CZ3 4.08Å; L300-L372 HydrophobicContact CD1-CB 4.19Å
301E98Very high98Very high45 Ų4520.8 Ų20.821%0.219%0.087CC..Hα-helixtrans-61-42.5174.8-175.3-174.1-141.900111.9C297 C298 Q304 R305 A440 K444C297-E301 WeakPolarHBondContact O-CB 3.14Å; C297-E301 PolarHBondContact O-N 3.06Å; C298-E301 PolarHBondContact O-N 2.85Å; E301-Q304 PolarHBondContact O-N 2.87Å; E301-R305 WeakPolarHBondContact O-CB 3.48Å; E301-R305 PolarHBondContact O-N 2.89Å; E301-R305 IonicContact OE2-NH2 3.64Å; E301-A440 HydrophobicContact CB-CB 3.76Å; E301-A440 HydrophobicContact CG-CB 3.69Å; E301-K444 IonicContact OE1-NZ 3.64Å; E301-K444 WeakPolarHBondContact OE2-CE 3.45Å; E301-K444 IonicContact OE2-NZ 3.32Å; E301-K444 PolarHBondContact OE2-NZ 3.26Å
302D98Very high97.9Very high24 Ų2420.6 Ų20.613%0.1289%0.087CC..Hα-helixtrans-62.8-42.8177.3-72.2-20.8000112S244 C298 G299 L300 R305 E306S244-D302 VanDerWaalsContact CB-OD2 3.23Å; S244-D302 WeakPolarHBondContact CB-OD2 3.21Å; S244-D302 PolarHBondContact OG-OD2 2.99Å; C298-D302 PolarHBondContact O-N 2.8Å; G299-D302 PolarHBondContact O-N 3.37Å; L300-D302 VanDerWaalsContact C-N 3.34Å; L300-D302 PolarHBondContact O-N 3.39Å; D302-R305 PolarHBondContact O-N 3.33Å; D302-R305 IonicContact OD1-CZ 3.42Å; D302-R305 IonicContact OD1-NH1 2.8Å; D302-R305 PolarHBondContact OD1-NH1 2.78Å; D302-R305 IonicContact OD1-NH2 2.86Å; D302-R305 PolarHBondContact OD1-NH2 3.42Å; D302-R305 VanDerWaalsContact OD1-NH2 3.14Å; D302-E306 PolarHBondContact O-N 2.97Å
303L98.1Very high97.9Very high0 Ų020.9 Ų20.90%09%0.088CC..Hα-helixtrans-63.9-43.9174.3-68.8174.6000111.6V242 V247 G299 L300 R305 E306 R307 I308 Y310 I328 L331V242-L303 HydrophobicContact CG1-CD2 3.99Å; V242-L303 HydrophobicContact CG2-CD2 3.7Å; V247-L303 HydrophobicContact CG2-CD1 4.42Å; V247-L303 HydrophobicContact CG2-CD2 4.17Å; V247-L303 HydrophobicContact CG2-CG 4.16Å; G299-L303 WeakPolarHBondContact O-CG 3.48Å; G299-L303 PolarHBondContact O-N 3.01Å; G299-L303 VanDerWaalsContact O-N 3.13Å; L300-L303 PolarHBondContact O-N 3.32Å; L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 2.98Å; L303-E306 CarbonylContact O-C 3.59Å; L303-E306 PolarHBondContact O-N 3.02Å; L303-E306 VanDerWaalsContact O-N 3.16Å; L303-R307 PolarHBondContact O-N 3.26Å; L303-I308 CarbonylContact C-O 3.47Å; L303-I308 HydrophobicContact CB-CB 4.33Å; L303-I308 HydrophobicContact CD2-CB 4.48Å; L303-I308 HydrophobicContact CD2-CG2 4.28Å; L303-I308 WeakPolarHBondContact O-CA 3.41Å; L303-I308 WeakPolarHBondContact O-CB 3.47Å; L303-I308 PolarHBondContact O-N 2.82Å; L303-Y310 HydrophobicContact CD1-CD2 4.38Å; L303-Y310 HydrophobicContact CD1-CG 4.34Å; L303-I328 HydrophobicContact CD1-CD1 4.28Å; L303-L331 HydrophobicContact CD2-CD2 4.18Å
304Q96.1Very high97.8Very high27 Ų2722 Ų2213%0.1269%0.093CC..Hα-helixtrans-64.3-35.4178.9-74176.110.100112.6L300 E301 E306 R307 F365 W369L300-Q304 WeakPolarHBondContact O-CB 3.44Å; L300-Q304 WeakPolarHBondContact O-CG 3.43Å; L300-Q304 PolarHBondContact O-N 3.15Å; E301-Q304 PolarHBondContact O-N 2.87Å; Q304-E306 PolarHBondContact O-N 2.93Å; Q304-R307 WeakPolarHBondContact O-CA 3.32Å; Q304-R307 PolarHBondContact O-N 2.77Å; Q304-F365 HydrophobicContact CG-CB 3.93Å; Q304-F365 HydrophobicContact CG-CD1 3.81Å; Q304-F365 HydrophobicContact CG-CD2 4.17Å; Q304-F365 HydrophobicContact CG-CE1 4.34Å; Q304-F365 HydrophobicContact CG-CG 3.72Å; Q304-W369 VanDerWaalsContact NE2-CE2 3.31Å; Q304-W369 VanDerWaalsContact NE2-NE1 3.19Å
305R95.3Very high97.7Very high148 Ų14822 Ų2256%0.5589%0.093SC*.Hα-helixtrans-60.5-36.9174.3-165-177.6-55.1114.56.5111.6E301 D302 L303 R307E301-R305 WeakPolarHBondContact O-CB 3.48Å; E301-R305 PolarHBondContact O-N 2.89Å; E301-R305 IonicContact OE2-NH2 3.64Å; D302-R305 PolarHBondContact O-N 3.33Å; D302-R305 IonicContact OD1-CZ 3.42Å; D302-R305 IonicContact OD1-NH1 2.8Å; D302-R305 PolarHBondContact OD1-NH1 2.78Å; D302-R305 IonicContact OD1-NH2 2.86Å; D302-R305 PolarHBondContact OD1-NH2 3.42Å; D302-R305 VanDerWaalsContact OD1-NH2 3.14Å; L303-R305 VanDerWaalsContact C-N 3.32Å; L303-R305 PolarHBondContact O-N 2.98Å; R305-R307 PolarHBondContact O-N 3.24Å
306E96.1Very high97.5Very high70 Ų7024.9 Ų24.933%0.32711%0.106SC..THydrogen-bonded Turntrans-82.27.4172.8-67-57.7143.500113.8K241 D302 L303 Q304 I308K241-E306 WeakPolarHBondContact CE-OE2 3.13Å; K241-E306 PolarHBondContact NZ-O 2.93Å; K241-E306 IonicContact NZ-OE2 2.77Å; D302-E306 PolarHBondContact O-N 2.97Å; L303-E306 CarbonylContact O-C 3.59Å; L303-E306 PolarHBondContact O-N 3.02Å; L303-E306 VanDerWaalsContact O-N 3.16Å; Q304-E306 PolarHBondContact O-N 2.93Å; E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 HydrophobicContact CB-CD1 3.85Å; E306-I308 HydrophobicContact CB-CG1 4.13Å; E306-I308 PolarHBondContact O-N 3.01Å
307R96.4Very high97.4Very high71 Ų7125.3 Ų25.327%0.26811%0.109SC..THydrogen-bonded Turntrans6429.6-177.6-66.3-69.2-54.1166.22.7114L303 Q304 R305 E336 I337 P338L303-R307 PolarHBondContact O-N 3.26Å; Q304-R307 WeakPolarHBondContact O-CA 3.32Å; Q304-R307 PolarHBondContact O-N 2.77Å; R305-R307 PolarHBondContact O-N 3.24Å; R307-E336 CarbonylContact O-C 3.58Å; R307-E336 WeakPolarHBondContact O-CA 3.47Å; R307-I337 WeakPolarHBondContact CB-O 3.49Å; R307-I337 VanDerWaalsContact CZ-O 3.31Å; R307-I337 PolarHBondContact NE-O 3.47Å; R307-I337 PolarHBondContact NH2-O 2.87Å; R307-I337 PolarHBondContact O-N 3.3Å; R307-P338 PolarHBondContact NH2-O 3.22Å
308I98.1Very high97.4Very high0 Ų025.3 Ų25.30%011%0.109CC..EExtended strand (participates in β ladder)trans-105.1126.7-176.7-59.8170.6000110.1I238 V242 L303 E306 A334 M335 E336I238-I308 HydrophobicContact CD1-CG2 4.34Å; I238-I308 HydrophobicContact CG1-CD1 4.37Å; I238-I308 HydrophobicContact CG2-CD1 3.93Å; I238-I308 HydrophobicContact CG2-CG2 4.38Å; V242-I308 HydrophobicContact CG2-CD1 3.61Å; L303-I308 CarbonylContact C-O 3.47Å; L303-I308 HydrophobicContact CB-CB 4.33Å; L303-I308 HydrophobicContact CD2-CB 4.48Å; L303-I308 HydrophobicContact CD2-CG2 4.28Å; L303-I308 WeakPolarHBondContact O-CA 3.41Å; L303-I308 WeakPolarHBondContact O-CB 3.47Å; L303-I308 PolarHBondContact O-N 2.82Å; E306-I308 VanDerWaalsContact C-N 3.3Å; E306-I308 HydrophobicContact CB-CD1 3.85Å; E306-I308 HydrophobicContact CB-CG1 4.13Å; E306-I308 PolarHBondContact O-N 3.01Å; I308-A334 HydrophobicContact CG2-CB 4Å; I308-M335 WeakPolarHBondContact CA-O 3.31Å; I308-E336 HydrophobicContact CG1-CB 4.42Å
309V98.2Very high97.4Very high0 Ų027.2 Ų27.20%012%0.118CC..EExtended strand (participates in β ladder)trans-94134.2165.8650000109.3R311 A334 M335 I337 T364 F365 D368V309-R311 HydrophobicContact CB-CG 4.22Å; V309-R311 HydrophobicContact CG1-CG 3.76Å; V309-R311 HydrophobicContact CG2-CG 3.58Å; V309-A334 CarbonylContact O-C 3.49Å; V309-A334 WeakPolarHBondContact O-CA 3.36Å; V309-M335 HydrophobicContact CG1-CB 4.09Å; V309-M335 WeakPolarHBondContact CG1-O 3.38Å; V309-M335 PolarHBondContact N-O 2.83Å; V309-M335 PolarHBondContact O-N 3.16Å; V309-I337 HydrophobicContact CB-CD1 3.99Å; V309-I337 HydrophobicContact CG1-CD1 3.63Å; V309-I337 HydrophobicContact CG1-CG1 3.94Å; V309-T364 VanDerWaalsContact CG2-O 3.29Å; V309-T364 WeakPolarHBondContact CG2-O 3.23Å; V309-F365 HydrophobicContact CB-CD1 3.99Å; V309-D368 WeakPolarHBondContact CG2-OD2 3.36Å
310Y98.3Very high97.4Very high1 Ų127.2 Ų27.20%0.00412%0.118CC..  trans-84.8-45.1-174.1179.7-120.9000113.4L303 D312 L313 N317 I328 S329 D330 L331 L333 A334 D368L303-Y310 HydrophobicContact CD1-CD2 4.38Å; L303-Y310 HydrophobicContact CD1-CG 4.34Å; Y310-D312 HydrophobicContact CE1-CB 4.49Å; Y310-D312 VanDerWaalsContact CE1-O 3.3Å; Y310-D312 WeakPolarHBondContact CE1-O 3.49Å; Y310-D312 PolarHBondContact O-N 3.48Å; Y310-D312 VanDerWaalsContact O-N 3.15Å; Y310-D312 PolarHBondContact OH-O 3.17Å; Y310-L313 HydrophobicContact CD1-CB 4.07Å; Y310-L313 HydrophobicContact CD1-CD1 3.72Å; Y310-L313 HydrophobicContact CE1-CB 4.16Å; Y310-L313 HydrophobicContact CE1-CD1 3.71Å; Y310-N317 WeakPolarHBondContact OH-CB 3.49Å; Y310-N317 PolarHBondContact OH-ND2 3.14Å; Y310-N317 VanDerWaalsContact OH-ND2 3.1Å; Y310-I328 HydrophobicContact CD1-CG2 4.17Å; Y310-I328 HydrophobicContact CD2-CG2 3.97Å; Y310-I328 HydrophobicContact CE1-CG2 3.74Å; Y310-I328 HydrophobicContact CE2-CG2 3.54Å; Y310-I328 HydrophobicContact CG-CG2 4.29Å; Y310-I328 VanDerWaalsContact CZ-CG2 3.43Å; Y310-S329 PolarHBondContact OH-O 2.71Å; Y310-D330 WeakPolarHBondContact CE2-O 3.46Å; Y310-D330 PolarHBondContact OH-O 3.03Å; Y310-L331 HydrophobicContact CD2-CG 4.25Å; Y310-L331 HydrophobicContact CE2-CD1 4.44Å; Y310-L331 HydrophobicContact CE2-CG 4.06Å; Y310-L333 CarbonylContact O-C 3.57Å; Y310-A334 HydrophobicContact CD2-CB 4.38Å; Y310-D368 PolarHBondContact N-OD1 3.44Å; Y310-D368 PolarHBondContact N-OD2 3Å
311R97.8Very high97.2Very high34 Ų3428.6 Ų28.613%0.12813%0.126CC..  trans661.1172.3-51.5-171.6-65.6-176.1-3.6117.8V309 L333 V347 Y363 D368V309-R311 HydrophobicContact CB-CG 4.22Å; V309-R311 HydrophobicContact CG1-CG 3.76Å; V309-R311 HydrophobicContact CG2-CG 3.58Å; R311-L333 PolarHBondContact NE-O 3.29Å; R311-L333 PolarHBondContact NH2-O 3.37Å; R311-V347 HydrophobicContact CB-CG2 4.42Å; R311-Y363 WeakPolarHBondContact CD-OH 3.24Å; R311-Y363 HydrophobicContact CG-CE2 4.44Å; R311-Y363 PolarHBondContact NH1-OH 3.28Å; R311-D368 PolarHBondContact N-OD1 3.08Å
312D97.3Very high96.9Very high9 Ų930 Ų305%0.04814%0.135CC..  trans-139.341.1179.9-158.137.5000113.4Y310 K314 N317 L333 T349Y310-D312 HydrophobicContact CE1-CB 4.49Å; Y310-D312 VanDerWaalsContact CE1-O 3.3Å; Y310-D312 WeakPolarHBondContact CE1-O 3.49Å; Y310-D312 PolarHBondContact O-N 3.48Å; Y310-D312 VanDerWaalsContact O-N 3.15Å; Y310-D312 PolarHBondContact OH-O 3.17Å; D312-K314 PolarHBondContact O-N 3.24Å; D312-K314 IonicContact OD1-NZ 3.27Å; D312-K314 PolarHBondContact OD1-NZ 2.72Å; D312-K314 IonicContact OD2-NZ 3.33Å; D312-K314 PolarHBondContact OD2-NZ 3.04Å; D312-N317 PolarHBondContact O-ND2 3.04Å; D312-N317 PolarHBondContact OD2-ND2 3.25Å; D312-L333 HydrophobicContact CB-CB 4.29Å; D312-L333 HydrophobicContact CB-CD1 4.03Å; D312-T349 PolarHBondContact OD1-N 2.94Å; D312-T349 PolarHBondContact OD1-OG1 3.07Å
313L97.8Very high96.7Very high6 Ų632.6 Ų32.63%0.03114%0.143CC..  trans-69.8114.2175.9-150.776.2000110.9L296 L300 Y310 I318 I328 G371 L372 L375L296-L313 HydrophobicContact CD2-CD1 4.42Å; L300-L313 HydrophobicContact CD1-CD2 4.28Å; L300-L313 HydrophobicContact CD2-CD1 4.34Å; Y310-L313 HydrophobicContact CD1-CB 4.07Å; Y310-L313 HydrophobicContact CD1-CD1 3.72Å; Y310-L313 HydrophobicContact CE1-CB 4.16Å; Y310-L313 HydrophobicContact CE1-CD1 3.71Å; L313-I318 HydrophobicContact CD1-CD1 3.87Å; L313-I328 HydrophobicContact CD1-CD1 4.39Å; L313-I328 HydrophobicContact CD1-CG1 4.44Å; L313-G371 VanDerWaalsContact CD2-C 3.48Å; L313-L372 HydrophobicContact CD2-CB 4.19Å; L313-L375 HydrophobicContact CD1-CD1 4.4Å; L313-L375 HydrophobicContact CD2-CD1 3.73Å; L313-L375 HydrophobicContact CD2-CG 4.37Å; L313-L375 HydrophobicContact CG-CD1 3.6Å; L313-L375 HydrophobicContact CG-CG 4.4Å
314K97Very high96.7Very high26 Ų2632.6 Ų32.611%0.11314%0.143CC..SBendtrans-160.6160.3-179.168.4-168.2-173.5-143.40110.7D312 E316 N317 T349 Y352D312-K314 PolarHBondContact O-N 3.24Å; D312-K314 IonicContact OD1-NZ 3.27Å; D312-K314 PolarHBondContact OD1-NZ 2.72Å; D312-K314 IonicContact OD2-NZ 3.33Å; D312-K314 PolarHBondContact OD2-NZ 3.04Å; K314-E316 VanDerWaalsContact C-N 3.25Å; K314-E316 HydrophobicContact CG-CB 4.29Å; K314-E316 WeakPolarHBondContact CG-OE2 3.35Å; K314-E316 PolarHBondContact O-N 3.03Å; K314-N317 WeakPolarHBondContact CE-ND2 3.42Å; K314-N317 WeakPolarHBondContact CE-OD1 3.33Å; K314-N317 HydrophobicContact CG-CB 4.22Å; K314-N317 PolarHBondContact O-N 3.41Å; K314-T349 HydrophobicContact CD-CG2 4.05Å; K314-T349 VanDerWaalsContact CD-OG1 3.27Å; K314-T349 WeakPolarHBondContact CD-OG1 3.47Å; K314-T349 PolarHBondContact NZ-OG1 3.25Å; K314-Y352 HydrophobicContact CB-CD1 4.07Å; K314-Y352 HydrophobicContact CB-CD2 4.02Å; K314-Y352 HydrophobicContact CB-CE1 4.02Å; K314-Y352 HydrophobicContact CB-CE2 3.96Å; K314-Y352 HydrophobicContact CB-CG 4.06Å
315P97Very high96.8Very high0 Ų031.7 Ų31.70%014%0.138CC..G310 helixtrans-60.3-31.8-172.9-24.934.5000113.8L272 K273 I276 N317 I318 Y352 L375 E378L272-P315 HydrophobicContact CB-CB 4.09Å; L272-P315 WeakPolarHBondContact CB-O 3.42Å; L272-P315 PolarHBondContact N-O 3.45Å; L272-P315 VanDerWaalsContact N-O 3.17Å; K273-P315 HydrophobicContact CB-CB 3.87Å; K273-P315 PolarHBondContact N-O 3.03Å; I276-P315 HydrophobicContact CD1-CB 4.04Å; I276-P315 HydrophobicContact CD1-CG 4.1Å; P315-N317 PolarHBondContact O-N 3.01Å; P315-I318 PolarHBondContact O-N 3.28Å; P315-Y352 WeakPolarHBondContact CD-OH 3.12Å; P315-L375 HydrophobicContact CB-CD2 4.32Å; P315-L375 VanDerWaalsContact CD-CD2 3.45Å; P315-L375 HydrophobicContact CG-CD2 3.54Å; P315-E378 HydrophobicContact CG-CG 4.43Å
316E95Very high96.9Very high61 Ų6124.8 Ų24.829%0.28511%0.113SC..G310 helixtrans-62.6-27.5177-65.891.7158.200114K273 K314K273-E316 HydrophobicContact CB-CG 4.28Å; K273-E316 HydrophobicContact CD-CG 3.56Å; K273-E316 WeakPolarHBondContact CD-OE1 3.33Å; K273-E316 IonicContact NZ-OE1 3.98Å; K273-E316 PolarHBondContact NZ-OE1 3.49Å; K314-E316 VanDerWaalsContact C-N 3.25Å; K314-E316 HydrophobicContact CG-CB 4.29Å; K314-E316 WeakPolarHBondContact CG-OE2 3.35Å; K314-E316 PolarHBondContact O-N 3.03Å
317N97.4Very high97Very high10 Ų1023.5 Ų23.55%0.05311%0.105CC..G310 helixtrans-97.3-1.4-173.3-70.1-4.7000112.9Y310 D312 K314 P315 S329Y310-N317 WeakPolarHBondContact OH-CB 3.49Å; Y310-N317 PolarHBondContact OH-ND2 3.14Å; Y310-N317 VanDerWaalsContact OH-ND2 3.1Å; D312-N317 PolarHBondContact O-ND2 3.04Å; D312-N317 PolarHBondContact OD2-ND2 3.25Å; K314-N317 WeakPolarHBondContact CE-ND2 3.42Å; K314-N317 WeakPolarHBondContact CE-OD1 3.33Å; K314-N317 HydrophobicContact CG-CB 4.22Å; K314-N317 PolarHBondContact O-N 3.41Å; P315-N317 PolarHBondContact O-N 3.01Å; N317-S329 WeakPolarHBondContact O-CB 3.45Å; N317-S329 PolarHBondContact O-N 3.27Å; N317-S329 PolarHBondContact O-OG 2.93Å
318I98.5Very high97.1Very high0 Ų020.1 Ų20.10%09%0.092CC..EExtended strand (participates in β ladder)trans-105.4116.9177.5-51-49.1000108.4D271 L272 L296 L313 P315 I326 I328 L375D271-I318 CarbonylContact C-O 3.55Å; D271-I318 VanDerWaalsContact CA-O 3.31Å; D271-I318 WeakPolarHBondContact CA-O 3.21Å; L272-I318 HydrophobicContact CB-CB 4.28Å; L272-I318 HydrophobicContact CD1-CB 3.61Å; L272-I318 HydrophobicContact CD1-CG1 4.14Å; L272-I318 HydrophobicContact CD1-CG2 3.46Å; L272-I318 VanDerWaalsContact CD1-CG2 3.46Å; L272-I318 HydrophobicContact CG-CB 3.83Å; L272-I318 HydrophobicContact CG-CG2 3.78Å; L272-I318 PolarHBondContact N-O 2.91Å; L296-I318 HydrophobicContact CD2-CD1 3.48Å; L296-I318 VanDerWaalsContact CD2-CD1 3.48Å; L296-I318 HydrophobicContact CD2-CG1 3.92Å; L296-I318 HydrophobicContact CD2-CG2 4.03Å; L313-I318 HydrophobicContact CD1-CD1 3.87Å; P315-I318 PolarHBondContact O-N 3.28Å; I318-I326 HydrophobicContact CG2-CB 3.72Å; I318-I326 HydrophobicContact CG2-CD1 3.64Å; I318-I326 HydrophobicContact CG2-CG1 4.31Å; I318-I326 HydrophobicContact CG2-CG2 3.91Å; I318-I328 HydrophobicContact CD1-CB 4.43Å; I318-I328 HydrophobicContact CD1-CG1 3.97Å; I318-L375 HydrophobicContact CD1-CD1 4.48Å; I318-L375 HydrophobicContact CG1-CD1 3.9Å
319L98Very high97.1Very high39 Ų3920.8 Ų20.820%0.20410%0.096CC..EExtended strand (participates in β ladder)trans-114.4147.1-171.5-50.3-179.8000111M267 G270 D271 I326 R327M267-L319 HydrophobicContact CB-CB 3.41Å; M267-L319 VanDerWaalsContact CB-CB 3.41Å; M267-L319 HydrophobicContact CB-CD1 3.91Å; M267-L319 HydrophobicContact CB-CG 4.3Å; M267-L319 HydrophobicContact CE-CB 4.29Å; M267-L319 WeakPolarHBondContact CE-O 3.42Å; M267-L319 HydrophobicContact CG-CB 3.71Å; M267-L319 HydrophobicContact CG-CD1 3.94Å; M267-L319 HydrophobicContact CG-CG 4.48Å; G270-L319 CarbonylContact O-C 3.43Å; G270-L319 WeakPolarHBondContact O-CA 3.4Å; D271-L319 HydrophobicContact CB-CD2 3.63Å; L319-I326 CarbonylContact O-C 3.49Å; L319-I326 WeakPolarHBondContact O-CA 3.29Å; L319-R327 PolarHBondContact N-O 3.48Å; L319-R327 PolarHBondContact O-N 2.98Å
320L97.8Very high96.9Very high0 Ų023.2 Ų23.20%011%0.109CC..EExtended strand (participates in β ladder)trans-100.2141.3178.1-71.379.1000111.7M267 N268 G269 G270 L272 Y292 H325 I326 F466 P468M267-L320 CarbonylContact C-O 3.57Å; M267-L320 VanDerWaalsContact CA-O 3.32Å; M267-L320 WeakPolarHBondContact CA-O 3.33Å; M267-L320 WeakPolarHBondContact CB-O 3.06Å; N268-L320 PolarHBondContact N-O 3.18Å; G269-L320 WeakPolarHBondContact CA-O 3.22Å; G269-L320 PolarHBondContact N-O 2.79Å; G270-L320 PolarHBondContact O-N 3.46Å; L272-L320 HydrophobicContact CD2-CD1 3.83Å; L272-L320 HydrophobicContact CG-CD1 4.26Å; Y292-L320 WeakPolarHBondContact OH-CD2 3.43Å; L320-H325 CarbonylContact C-O 3.51Å; L320-H325 WeakPolarHBondContact CA-O 3.44Å; L320-I326 HydrophobicContact CD1-CG2 4.07Å; L320-I326 HydrophobicContact CG-CG2 3.87Å; L320-F466 HydrophobicContact CD2-CD1 4.22Å; L320-F466 HydrophobicContact CD2-CE1 4.41Å; L320-P468 HydrophobicContact CD2-CG 4.47Å
321D95.3Very high96.8Very high30 Ų3023.1 Ų23.116%0.1611%0.109CC..  trans-85-176.7169.775.110.1000112M267 R323 G324 H325 P468M267-D321 HydrophobicContact CE-CB 3.88Å; M267-D321 HydrophobicContact SD-CB 4.23Å; D321-R323 PolarHBondContact O-N 3.16Å; D321-R323 WeakPolarHBondContact OD1-CA 3.41Å; D321-R323 PolarHBondContact OD1-N 3.03Å; D321-G324 PolarHBondContact O-N 3.48Å; D321-G324 PolarHBondContact OD1-N 2.97Å; D321-H325 PolarHBondContact N-O 3.35Å; D321-H325 PolarHBondContact OD1-N 3.04Å; D321-P468 WeakPolarHBondContact O-CG 3.32Å
322D92.3Very high96.5Very high73 Ų7322 Ų2239%0.3911%0.108SC..THydrogen-bonded Turntrans-66.9-19-179.4-69.7-55000114R16 N268R16-D322 IonicContact CZ-OD1 3.01Å; R16-D322 IonicContact NE-OD1 3.86Å; R16-D322 IonicContact NH2-OD1 2.77Å; R16-D322 PolarHBondContact NH2-OD1 3.35Å; N268-D322 WeakPolarHBondContact CB-OD1 3.36Å; N268-D322 PolarHBondContact ND2-OD1 3.28Å; N268-D322 VanDerWaalsContact ND2-OD1 3.16Å; N268-D322 PolarHBondContact ND2-OD2 3.15Å
323R93.9Very high96.4Very high80 Ų8023.5 Ų23.530%0.30212%0.116SC..THydrogen-bonded Turntrans-95.3-11.8178-66.5-176.565.3-154.6-2.7112.4D321 N460 E463 P464D321-R323 PolarHBondContact O-N 3.16Å; D321-R323 WeakPolarHBondContact OD1-CA 3.41Å; D321-R323 PolarHBondContact OD1-N 3.03Å; R323-N460 PolarHBondContact NH1-ND2 3.21Å; R323-E463 IonicContact NH2-OE1 2.7Å; R323-E463 PolarHBondContact NH2-OE1 2.94Å; R323-E463 IonicContact NH2-OE2 3.32Å; R323-E463 PolarHBondContact NH2-OE2 3.24Å; R323-P464 WeakPolarHBondContact O-CG 3.49Å
324G96.6Very high96.4Very high0 Ų023.2 Ų23.20%012%0.115CC..SBendtrans95.87.4-179.900000114.9Y292 D321 F466Y292-G324 WeakPolarHBondContact CE1-O 3.49Å; D321-G324 PolarHBondContact O-N 3.48Å; D321-G324 PolarHBondContact OD1-N 2.97Å; G324-F466 WeakPolarHBondContact CA-O 3.36Å
325H98.2Very high96.4Very high7 Ų725.3 Ų25.33%0.03213%0.125CC..  trans-75.2146170-67.4-79.7000110.3E295 L320 D321 N460 L462 P464E295-H325 IonicContact OE1-CE1 2.94Å; E295-H325 IonicContact OE1-CG 2.77Å; E295-H325 IonicContact OE1-ND1 3.05Å; E295-H325 PolarHBondContact OE1-ND1 3.19Å; L320-H325 CarbonylContact C-O 3.51Å; L320-H325 WeakPolarHBondContact CA-O 3.44Å; D321-H325 PolarHBondContact N-O 3.35Å; D321-H325 PolarHBondContact OD1-N 3.04Å; H325-N460 PolarHBondContact CE1-OD1 3Å; H325-N460 PolarHBondContact NE2-OD1 3.41Å; H325-L462 PolarHBondContact CE1-O 3.45Å; H325-L462 VanDerWaalsContact CE1-O 3.29Å; H325-P464 VanDerWaalsContact CE1-CG 3.48Å; H325-P464 WeakPolarHBondContact CE1-CG 3.34Å
326I98.5Very high96.3Very high3 Ų329.8 Ų29.82%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-97.1155.1179.858.3137.8000113.5L272 Y292 E295 L296 I318 L319 L320L272-I326 HydrophobicContact CD2-CG2 4.49Å; Y292-I326 HydrophobicContact CD1-CG1 4.21Å; Y292-I326 HydrophobicContact CD1-CG2 3.62Å; Y292-I326 HydrophobicContact CE1-CG2 3.85Å; Y292-I326 HydrophobicContact CG-CG2 4.02Å; Y292-I326 WeakPolarHBondContact O-CD1 3.31Å; E295-I326 HydrophobicContact CB-CD1 3.8Å; E295-I326 HydrophobicContact CB-CG1 3.57Å; E295-I326 HydrophobicContact CG-CG1 4.3Å; E295-I326 WeakPolarHBondContact OE2-CG1 3.44Å; E295-I326 PolarHBondContact OE2-N 3.48Å; L296-I326 HydrophobicContact CB-CD1 4.41Å; L296-I326 HydrophobicContact CD1-CD1 4.4Å; L296-I326 HydrophobicContact CD2-CD1 3.42Å; L296-I326 VanDerWaalsContact CD2-CD1 3.42Å; L296-I326 HydrophobicContact CG-CD1 3.42Å; L296-I326 VanDerWaalsContact CG-CD1 3.42Å; I318-I326 HydrophobicContact CG2-CB 3.72Å; I318-I326 HydrophobicContact CG2-CD1 3.64Å; I318-I326 HydrophobicContact CG2-CG1 4.31Å; I318-I326 HydrophobicContact CG2-CG2 3.91Å; L319-I326 CarbonylContact O-C 3.49Å; L319-I326 WeakPolarHBondContact O-CA 3.29Å; L320-I326 HydrophobicContact CD1-CG2 4.07Å; L320-I326 HydrophobicContact CG-CG2 3.87Å
327R98.6Very high96.4Very high43 Ų4327 Ų2716%0.16213%0.133CC..EExtended strand (participates in β ladder)trans-138145165.7-58.3-176.2179.8-128-1.6112.1R245 F246 V247 V248 M267 L319R245-R327 WeakPolarHBondContact O-CD 3.25Å; R245-R327 WeakPolarHBondContact O-CG 3.44Å; R245-R327 PolarHBondContact O-NE 3.46Å; R245-R327 PolarHBondContact O-NH1 3.1Å; R245-R327 PolarHBondContact O-NH2 2.8Å; F246-R327 CarbonylContact O-C 3.46Å; F246-R327 VanDerWaalsContact O-CA 3.27Å; F246-R327 WeakPolarHBondContact O-CA 3.31Å; V247-R327 PolarHBondContact O-NH1 2.94Å; V248-R327 HydrophobicContact CG1-CB 4.11Å; M267-R327 HydrophobicContact CE-CB 3.7Å; M267-R327 HydrophobicContact CE-CG 3.54Å; M267-R327 HydrophobicContact SD-CB 4.34Å; M267-R327 HydrophobicContact SD-CG 4.13Å; L319-R327 PolarHBondContact N-O 3.48Å; L319-R327 PolarHBondContact O-N 2.98Å
328I98.7Very high96.3Very high1 Ų129.5 Ų29.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-69.1133.6167.3-57.6171.2000108.8F246 V247 V248 L296 L300 L303 Y310 L313 I318F246-I328 PolarHBondContact O-N 3.39Å; V247-I328 WeakPolarHBondContact CA-O 3.3Å; V247-I328 HydrophobicContact CG2-CB 4.38Å; V248-I328 PolarHBondContact N-O 2.74Å; L296-I328 HydrophobicContact CD2-CG1 3.99Å; L300-I328 HydrophobicContact CD2-CD1 4.09Å; L300-I328 HydrophobicContact CG-CD1 4.47Å; L303-I328 HydrophobicContact CD1-CD1 4.28Å; Y310-I328 HydrophobicContact CD1-CG2 4.17Å; Y310-I328 HydrophobicContact CD2-CG2 3.97Å; Y310-I328 HydrophobicContact CE1-CG2 3.74Å; Y310-I328 HydrophobicContact CE2-CG2 3.54Å; Y310-I328 HydrophobicContact CG-CG2 4.29Å; Y310-I328 VanDerWaalsContact CZ-CG2 3.43Å; L313-I328 HydrophobicContact CD1-CD1 4.39Å; L313-I328 HydrophobicContact CD1-CG1 4.44Å; I318-I328 HydrophobicContact CD1-CB 4.43Å; I318-I328 HydrophobicContact CD1-CG1 3.97Å
329S96.8Very high96Very high13 Ų1337.9 Ų37.99%0.09119%0.189CC..  trans-128.8176.5178.773.20000111.9Y310 N317Y310-S329 PolarHBondContact OH-O 2.71Å; N317-S329 WeakPolarHBondContact O-CB 3.45Å; N317-S329 PolarHBondContact O-N 3.27Å; N317-S329 PolarHBondContact O-OG 2.93Å
330D94.3Very high95.8Very high51 Ų5139.9 Ų39.927%0.27322%0.22SC..  trans52.179.8179-159.29.4000114.7K216 Y310 G332K216-D330 IonicContact NZ-OD1 3.9Å; K216-D330 PolarHBondContact NZ-OD1 3.43Å; Y310-D330 WeakPolarHBondContact CE2-O 3.46Å; Y310-D330 PolarHBondContact OH-O 3.03Å; D330-G332 PolarHBondContact O-N 2.88Å
331L95.8Very high95.7Very high0 Ų045.3 Ų45.30%025%0.245CC..  trans-91.419.7-177.5-72.777.2000112.1E235 I238 L239 V247 L303 Y310 L333 A334E235-L331 HydrophobicContact CG-CB 4.3Å; E235-L331 PolarHBondContact OE1-N 3.45Å; I238-L331 HydrophobicContact CG2-CB 4.23Å; I238-L331 HydrophobicContact CG2-CD2 3.37Å; I238-L331 HydrophobicContact CG2-CG 4.41Å; L239-L331 HydrophobicContact CD2-CD1 3.93Å; L239-L331 HydrophobicContact CD2-CD2 4.43Å; V247-L331 HydrophobicContact CG1-CD1 4Å; V247-L331 HydrophobicContact CG1-CD2 4.04Å; L303-L331 HydrophobicContact CD2-CD2 4.18Å; Y310-L331 HydrophobicContact CD2-CG 4.25Å; Y310-L331 HydrophobicContact CE2-CD1 4.44Å; Y310-L331 HydrophobicContact CE2-CG 4.06Å; L331-L333 PolarHBondContact O-N 2.89Å; L331-A334 HydrophobicContact CB-CB 3.98Å; L331-A334 HydrophobicContact CG-CB 4.42Å; L331-A334 WeakPolarHBondContact O-CB 3.42Å; L331-A334 PolarHBondContact O-N 3.4Å
332G92.4Very high95.7Very high10 Ų1048.7 Ų48.710%0.10326%0.261CS..THydrogen-bonded Turntrans-59.7-29.5-178.500000114.3M231 D330M231-G332 VanDerWaalsContact CG-O 3.31Å; M231-G332 WeakPolarHBondContact CG-O 3.48Å; D330-G332 PolarHBondContact O-N 2.88Å
333L95.3Very high95.9Very high41 Ų4145.6 Ų45.622%0.21525%0.246CC..THydrogen-bonded Turntrans-99.5-1.1175.6-61.8-175.1000113.4M231 Y310 R311 D312 L331M231-L333 HydrophobicContact CE-CD2 3.99Å; Y310-L333 CarbonylContact O-C 3.57Å; R311-L333 PolarHBondContact NE-O 3.29Å; R311-L333 PolarHBondContact NH2-O 3.37Å; D312-L333 HydrophobicContact CB-CB 4.29Å; D312-L333 HydrophobicContact CB-CD1 4.03Å; L331-L333 PolarHBondContact O-N 2.89Å
334A97.3Very high96Very high0 Ų049.6 Ų49.60%026%0.261CS..  trans-67.5155.9177.700000111N234 I238 I308 V309 Y310 L331N234-A334 PolarHBondContact ND2-O 3.25Å; I238-A334 HydrophobicContact CD1-CB 3.67Å; I308-A334 HydrophobicContact CG2-CB 4Å; V309-A334 CarbonylContact O-C 3.49Å; V309-A334 WeakPolarHBondContact O-CA 3.36Å; Y310-A334 HydrophobicContact CD2-CB 4.38Å; L331-A334 HydrophobicContact CB-CB 3.98Å; L331-A334 HydrophobicContact CG-CB 4.42Å; L331-A334 WeakPolarHBondContact O-CB 3.42Å; L331-A334 PolarHBondContact O-N 3.4Å
335M96.3Very high95.8Very high69 Ų6950.4 Ų50.434%0.3427%0.269SS..EExtended strand (participates in β ladder)trans-149.3134.4-178.6172.4177-79.200110.5I308 V309 A343I308-M335 WeakPolarHBondContact CA-O 3.31Å; V309-M335 HydrophobicContact CG1-CB 4.09Å; V309-M335 WeakPolarHBondContact CG1-O 3.38Å; V309-M335 PolarHBondContact N-O 2.83Å; V309-M335 PolarHBondContact O-N 3.16Å; M335-A343 HydrophobicContact SD-CB 3.87Å
336E96.7Very high95.8Very high94 Ų9454.3 Ų54.344%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-76128.6167.8-173.7166.9169.300109.9K241 R307 I308K241-E336 IonicContact NZ-OE1 2.9Å; K241-E336 PolarHBondContact NZ-OE1 3.41Å; K241-E336 IonicContact NZ-OE2 2.81Å; K241-E336 PolarHBondContact NZ-OE2 3.35Å; R307-E336 CarbonylContact O-C 3.58Å; R307-E336 WeakPolarHBondContact O-CA 3.47Å; I308-E336 HydrophobicContact CG1-CB 4.42Å
337I95.9Very high95.6Very high3 Ų356.4 Ų56.42%0.01530%0.297CS..  trans-108.8109.4177.3-55.1-175.8000107.9R307 V309 Q341 A343 T364 F365R307-I337 WeakPolarHBondContact CB-O 3.49Å; R307-I337 VanDerWaalsContact CZ-O 3.31Å; R307-I337 PolarHBondContact NE-O 3.47Å; R307-I337 PolarHBondContact NH2-O 2.87Å; R307-I337 PolarHBondContact O-N 3.3Å; V309-I337 HydrophobicContact CB-CD1 3.99Å; V309-I337 HydrophobicContact CG1-CD1 3.63Å; V309-I337 HydrophobicContact CG1-CG1 3.94Å; I337-Q341 HydrophobicContact CG2-CB 4.45Å; I337-Q341 WeakPolarHBondContact CG2-O 3.4Å; I337-A343 HydrophobicContact CD1-CB 3.95Å; I337-A343 HydrophobicContact CG1-CB 4.29Å; I337-T364 WeakPolarHBondContact CD1-O 3.21Å; I337-F365 HydrophobicContact CD1-CE1 4.48Å
338P94.8Very high95.4Very high63 Ų6355.4 Ų55.441%0.40930%0.3SS..  trans-53.5153.6176.1-25.234000112.3R307 Q341R307-P338 PolarHBondContact NH2-O 3.22Å; P338-Q341 HydrophobicContact CB-CB 4.27Å; P338-Q341 HydrophobicContact CB-CG 4.06Å; P338-Q341 WeakPolarHBondContact O-CB 3.35Å; P338-Q341 PolarHBondContact O-N 2.95Å; P338-Q341 VanDerWaalsContact O-N 3.11Å
339E93.1Very high95.2Very high175 Ų17557.3 Ų57.382%0.81831%0.311SS*.THydrogen-bonded Turntrans-58.6140.1177.3-169170.4-169.800111.2Q341E339-Q341 PolarHBondContact O-N 3.06Å; E339-Q341 VanDerWaalsContact O-N 3.11Å
340G92.8Very high95Very high82 Ų8259 Ų5985%0.84532%0.321SS*.THydrogen-bonded Turntrans70.5-3-175.500000115.6
341Q96.1Very high94.9Very high114 Ų11456.6 Ų56.653%0.53331%0.308SS..  trans-102.5164.5179.1-60.2-168.524.600112.8I337 P338 E339I337-Q341 HydrophobicContact CG2-CB 4.45Å; I337-Q341 WeakPolarHBondContact CG2-O 3.4Å; P338-Q341 HydrophobicContact CB-CB 4.27Å; P338-Q341 HydrophobicContact CB-CG 4.06Å; P338-Q341 WeakPolarHBondContact O-CB 3.35Å; P338-Q341 PolarHBondContact O-N 2.95Å; P338-Q341 VanDerWaalsContact O-N 3.11Å; E339-Q341 PolarHBondContact O-N 3.06Å; E339-Q341 VanDerWaalsContact O-N 3.11Å
342M96.4Very high94.9Very high101 Ų10158 Ų5850%0.49831%0.314SS..  trans-131.2144.2174.7-58.1-177.680.700109.8K362 T364M342-K362 HydrophobicContact CB-CB 4.02Å; M342-K362 HydrophobicContact CB-CD 4.45Å; M342-K362 HydrophobicContact CE-CB 3.98Å; M342-K362 WeakPolarHBondContact CE-O 3.38Å; M342-K362 HydrophobicContact SD-CB 3.99Å; M342-T364 HydrophobicContact CB-CG2 4.47Å; M342-T364 HydrophobicContact CE-CG2 4.36Å; M342-T364 HydrophobicContact CG-CG2 3.93Å
343A95Very high95.1Very high8 Ų857.8 Ų57.87%0.06631%0.31CS..EExtended strand (participates in β ladder)trans-82.4155.7173.200000110.9M335 I337 K362 Y363M335-A343 HydrophobicContact SD-CB 3.87Å; I337-A343 HydrophobicContact CD1-CB 3.95Å; I337-A343 HydrophobicContact CG1-CB 4.29Å; A343-K362 CarbonylContact O-C 3.45Å; A343-K362 VanDerWaalsContact O-CA 3.3Å; A343-K362 WeakPolarHBondContact O-CA 3.36Å; A343-Y363 HydrophobicContact CB-CD2 4.27Å; A343-Y363 HydrophobicContact CB-CE2 3.87Å; A343-Y363 PolarHBondContact N-O 2.89Å; A343-Y363 PolarHBondContact O-N 3.38Å
344R95.8Very high95.3Very high164 Ų16455.9 Ų55.962%0.61930%0.3SS*.EExtended strand (participates in β ladder)trans-136133.6167-170.6-179.5-171.3-175.53.4108.8N360 K362R344-N360 PolarHBondContact NE-O 2.88Å; R344-N360 PolarHBondContact NH2-O 2.9Å; R344-K362 HydrophobicContact CB-CG 4.39Å
345G94.4Very high95.3Very high17 Ų1756.2 Ų56.218%0.17530%0.302CS..  trans159.4135174.300000112.3V347 Y363G345-V347 PolarHBondContact O-N 3.28Å; G345-Y363 WeakPolarHBondContact O-CE1 3.45Å; G345-Y363 PolarHBondContact O-OH 3.01Å
346R96.4Very high95.4Very high88 Ų8853 Ų5333%0.33229%0.287SS..  trans-85.980.5176.5-171.6175.4-176.6-128.3-4.7110.6M353 V357 R395 D399R346-M353 HydrophobicContact CG-SD 4.24Å; R346-V357 WeakPolarHBondContact CG-O 3.46Å; R346-R395 VanDerWaalsContact NH1-NH2 3.17Å; R346-D399 IonicContact CZ-OD2 2.59Å; R346-D399 IonicContact NH2-OD1 3.8Å; R346-D399 PolarHBondContact NH2-OD1 3.04Å; R346-D399 IonicContact NH2-OD2 3.52Å; R346-D399 PolarHBondContact NH2-OD2 3.35Å
347V95.1Very high95.5Very high48 Ų4848.7 Ų48.729%0.29127%0.267SS..  trans-124.1155.2178-61.50000110.5R311 G345 V357R311-V347 HydrophobicContact CB-CG2 4.42Å; G345-V347 PolarHBondContact O-N 3.28Å; V347-V357 WeakPolarHBondContact O-CG1 3.2Å
348G94.9Very high95.6Very high22 Ų2249.1 Ų49.123%0.22727%0.269CS..SBendtrans121.4177.7-178.200000112.5
349T93.9Very high95.7Very high40 Ų4049.4 Ų49.425%0.24527%0.267CS..  trans-86.5134.6-177.8-590000111.6D312 K314 G351 Y352 M353D312-T349 PolarHBondContact OD1-N 2.94Å; D312-T349 PolarHBondContact OD1-OG1 3.07Å; K314-T349 HydrophobicContact CD-CG2 4.05Å; K314-T349 VanDerWaalsContact CD-OG1 3.27Å; K314-T349 WeakPolarHBondContact CD-OG1 3.47Å; K314-T349 PolarHBondContact NZ-OG1 3.25Å; T349-G351 PolarHBondContact O-N 3.44Å; T349-Y352 HydrophobicContact CG2-CD2 3.83Å; T349-Y352 HydrophobicContact CG2-CE2 4.17Å; T349-Y352 PolarHBondContact O-N 3.19Å; T349-M353 PolarHBondContact O-N 3.44Å
350V91.8Very high95.9Very high48 Ų4843.9 Ų43.929%0.29124%0.243SC..THydrogen-bonded Turntrans-57.8131.3176.9179.10000110.1M353 R395 I398V350-M353 HydrophobicContact CG2-CE 4.03Å; V350-R395 HydrophobicContact CG1-CG 4.2Å; V350-R395 HydrophobicContact CG2-CG 3.98Å; V350-I398 HydrophobicContact CG1-CB 4.09Å; V350-I398 HydrophobicContact CG1-CD1 3.84Å; V350-I398 HydrophobicContact CG1-CG2 3.87Å
351G91.9Very high96.1Very high1 Ų144 Ų441%0.0122%0.222CC..THydrogen-bonded Turntrans96.7-21.8-173.100000114.2T349T349-G351 PolarHBondContact O-N 3.44Å
352Y96.5Very high96.2Very high29 Ų2945.2 Ų45.211%0.11423%0.225CC..THydrogen-bonded Turntrans-114.4-15-179.3-56.8-88.3000113.3K314 P315 T349 A354 W370 C374 E378K314-Y352 HydrophobicContact CB-CD1 4.07Å; K314-Y352 HydrophobicContact CB-CD2 4.02Å; K314-Y352 HydrophobicContact CB-CE1 4.02Å; K314-Y352 HydrophobicContact CB-CE2 3.96Å; K314-Y352 HydrophobicContact CB-CG 4.06Å; P315-Y352 WeakPolarHBondContact CD-OH 3.12Å; T349-Y352 HydrophobicContact CG2-CD2 3.83Å; T349-Y352 HydrophobicContact CG2-CE2 4.17Å; T349-Y352 PolarHBondContact O-N 3.19Å; Y352-A354 PolarHBondContact O-N 3.46Å; Y352-W370 PolarHBondContact O-NE1 2.98Å; Y352-C374 HydrophobicContact CD1-CB 3.97Å; Y352-C374 HydrophobicContact CE1-CB 4.49Å; Y352-E378 VanDerWaalsContact CE1-OE2 3.28Å; Y352-E378 WeakPolarHBondContact CE1-OE2 3.09Å; Y352-E378 PolarHBondContact OH-OE1 3.01Å; Y352-E378 PolarHBondContact OH-OE2 3.36Å
353M97.7Very high96.2Very high7 Ų740.5 Ų40.53%0.03420%0.202CC..SBendtrans-64.2130.4173.2-71.9-178.9-71.800110.8R346 T349 V350 V357 V358 W370R346-M353 HydrophobicContact CG-SD 4.24Å; T349-M353 PolarHBondContact O-N 3.44Å; V350-M353 HydrophobicContact CG2-CE 4.03Å; M353-V357 HydrophobicContact CB-CB 4.36Å; M353-V357 HydrophobicContact CB-CG1 4.24Å; M353-V357 HydrophobicContact CG-CG1 4.15Å; M353-V357 HydrophobicContact SD-CG1 4.17Å; M353-V358 HydrophobicContact CB-CG2 3.86Å; M353-W370 PolarHBondContact O-NE1 3.28Å
354A98.2Very high96.3Very high0 Ų042.3 Ų42.30%021%0.213CC..  trans-66.7156.5175.700000112.3Y352 E356 V357 V358 P367 W370Y352-A354 PolarHBondContact O-N 3.46Å; A354-E356 VanDerWaalsContact C-N 3.3Å; A354-E356 WeakPolarHBondContact CB-OE2 3.45Å; A354-E356 PolarHBondContact O-N 3.43Å; A354-V357 HydrophobicContact CB-CG2 4.29Å; A354-V357 WeakPolarHBondContact O-CA 3.39Å; A354-V357 WeakPolarHBondContact O-CB 3.3Å; A354-V357 PolarHBondContact O-N 3.42Å; A354-V358 PolarHBondContact O-N 2.96Å; A354-P367 HydrophobicContact CB-CB 4.21Å; A354-W370 VanDerWaalsContact CA-CD1 3.49Å; A354-W370 HydrophobicContact CB-CB 3.65Å; A354-W370 HydrophobicContact CB-CD2 4.06Å; A354-W370 HydrophobicContact CB-CG 3.51Å
355P98.3Very high96.4Very high7 Ų735.8 Ų35.85%0.04519%0.189CC..Hα-helixtrans-52.8-43.2-178.9-28.836.3000113.9V357 V358 N359 W370 I402 K427P355-V357 VanDerWaalsContact C-N 3.27Å; P355-V357 PolarHBondContact O-N 3.46Å; P355-V358 PolarHBondContact O-N 3.5Å; P355-N359 WeakPolarHBondContact O-CB 3.4Å; P355-N359 VanDerWaalsContact O-CG 3.3Å; P355-N359 PolarHBondContact O-N 3.16Å; P355-W370 HydrophobicContact CG-CE3 4.39Å; P355-W370 HydrophobicContact CG-CH2 3.89Å; P355-W370 HydrophobicContact CG-CZ2 4.35Å; P355-W370 HydrophobicContact CG-CZ3 3.9Å; P355-I402 HydrophobicContact CG-CG2 4Å; P355-K427 HydrophobicContact CG-CB 4.23Å; P355-K427 HydrophobicContact CG-CD 3.75Å
356E98.3Very high96.5Very high2 Ų235.4 Ų35.41%0.00918%0.184CC..Hα-helixtrans-64.4-30.3178.266.9-87.5-156.700112.7A354 N360 E361 S366 P429 R432A354-E356 VanDerWaalsContact C-N 3.3Å; A354-E356 WeakPolarHBondContact CB-OE2 3.45Å; A354-E356 PolarHBondContact O-N 3.43Å; E356-N360 PolarHBondContact O-N 2.93Å; E356-E361 HydrophobicContact CB-CB 4.13Å; E356-E361 WeakPolarHBondContact O-CB 3.46Å; E356-E361 PolarHBondContact O-N 2.97Å; E356-S366 VanDerWaalsContact OE1-CB 3.27Å; E356-S366 WeakPolarHBondContact OE1-CB 3.31Å; E356-S366 PolarHBondContact OE1-OG 3.07Å; E356-P429 HydrophobicContact CB-CG 4.36Å; E356-P429 HydrophobicContact CG-CG 4.47Å; E356-R432 IonicContact OE1-CZ 3.5Å; E356-R432 IonicContact OE1-NH1 3.19Å; E356-R432 PolarHBondContact OE1-NH1 3.21Å; E356-R432 IonicContact OE1-NH2 3.55Å; E356-R432 IonicContact OE2-CZ 3.37Å; E356-R432 IonicContact OE2-NH1 2.72Å; E356-R432 PolarHBondContact OE2-NH1 3.35Å; E356-R432 IonicContact OE2-NH2 2.68Å; E356-R432 PolarHBondContact OE2-NH2 3.08Å
357V98.2Very high96.6Very high4 Ų431.7 Ų31.72%0.02417%0.171CC..Hα-helixtrans-73.8-42.5174.4-179.30000110.3R346 V347 M353 A354 P355 N359 N360 Y363 P367R346-V357 WeakPolarHBondContact CG-O 3.46Å; V347-V357 WeakPolarHBondContact O-CG1 3.2Å; M353-V357 HydrophobicContact CB-CB 4.36Å; M353-V357 HydrophobicContact CB-CG1 4.24Å; M353-V357 HydrophobicContact CG-CG1 4.15Å; M353-V357 HydrophobicContact SD-CG1 4.17Å; A354-V357 HydrophobicContact CB-CG2 4.29Å; A354-V357 WeakPolarHBondContact O-CA 3.39Å; A354-V357 WeakPolarHBondContact O-CB 3.3Å; A354-V357 PolarHBondContact O-N 3.42Å; P355-V357 VanDerWaalsContact C-N 3.27Å; P355-V357 PolarHBondContact O-N 3.46Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 PolarHBondContact O-N 3.27Å; V357-N360 PolarHBondContact O-N 3.14Å; V357-N360 VanDerWaalsContact O-N 3.09Å; V357-Y363 HydrophobicContact CG2-CD1 3.99Å; V357-Y363 HydrophobicContact CG2-CE1 3.84Å; V357-P367 HydrophobicContact CG2-CB 3.83Å; V357-P367 HydrophobicContact CG2-CG 3.56Å
358V97.6Very high96.8Very high11 Ų1129.5 Ų29.57%0.06716%0.157CC..Hα-helixtrans-64.3-37176.6-179.20000111.1M353 A354 P355 N360 D399 I402M353-V358 HydrophobicContact CB-CG2 3.86Å; A354-V358 PolarHBondContact O-N 2.96Å; P355-V358 PolarHBondContact O-N 3.5Å; V358-N360 PolarHBondContact O-N 3.35Å; V358-D399 HydrophobicContact CG1-CB 3.77Å; V358-I402 HydrophobicContact CG2-CD1 4.49Å; V358-I402 HydrophobicContact CG2-CG2 4.24Å
359N96.9Very high97Very high69 Ų6928.6 Ų28.637%0.36915%0.147SC..THydrogen-bonded Turntrans-77.2-4.7174.8-69.5-15.8000113.7P355 V357 E361 K403P355-N359 WeakPolarHBondContact O-CB 3.4Å; P355-N359 VanDerWaalsContact O-CG 3.3Å; P355-N359 PolarHBondContact O-N 3.16Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 PolarHBondContact O-N 3.27Å; N359-E361 HydrophobicContact CB-CG 3.82Å; N359-E361 WeakPolarHBondContact CB-OE1 3.47Å; N359-E361 PolarHBondContact ND2-OE1 2.82Å; N359-E361 PolarHBondContact O-N 3.37Å; N359-K403 WeakPolarHBondContact OD1-CE 3.08Å; N359-K403 PolarHBondContact OD1-NZ 3.11Å
360N97.1Very high97.2Very high59 Ų5926.7 Ų26.732%0.31614%0.135SC..THydrogen-bonded Turntrans5736.5-177.5-165.342.1000113R344 E356 V357 V358R344-N360 PolarHBondContact NE-O 2.88Å; R344-N360 PolarHBondContact NH2-O 2.9Å; E356-N360 PolarHBondContact O-N 2.93Å; V357-N360 PolarHBondContact O-N 3.14Å; V357-N360 VanDerWaalsContact O-N 3.09Å; V358-N360 PolarHBondContact O-N 3.35Å
361E98Very high97.5Very high86 Ų8624.4 Ų24.440%0.40212%0.122SC..  trans-78.6169.7172.4-65.6168.2-153.500110.5E356 N359 Y363E356-E361 HydrophobicContact CB-CB 4.13Å; E356-E361 WeakPolarHBondContact O-CB 3.46Å; E356-E361 PolarHBondContact O-N 2.97Å; N359-E361 HydrophobicContact CB-CG 3.82Å; N359-E361 WeakPolarHBondContact CB-OE1 3.47Å; N359-E361 PolarHBondContact ND2-OE1 2.82Å; N359-E361 PolarHBondContact O-N 3.37Å; E361-Y363 WeakPolarHBondContact O-CD1 3.45Å
362K97.6Very high97.9Very high138 Ų13824.4 Ų24.460%0.612%0.121SC*.EExtended strand (participates in β ladder)trans-80.9140.8172.9-69.9-176.5179-178.50109.8M342 A343 R344M342-K362 HydrophobicContact CB-CB 4.02Å; M342-K362 HydrophobicContact CB-CD 4.45Å; M342-K362 HydrophobicContact CE-CB 3.98Å; M342-K362 WeakPolarHBondContact CE-O 3.38Å; M342-K362 HydrophobicContact SD-CB 3.99Å; A343-K362 CarbonylContact O-C 3.45Å; A343-K362 VanDerWaalsContact O-CA 3.3Å; A343-K362 WeakPolarHBondContact O-CA 3.36Å; R344-K362 HydrophobicContact CB-CG 4.39Å
363Y97.4Very high98Very high2 Ų223 Ų231%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-144161.9179.755.4-98.7000111.9R311 A343 G345 V357 E361 P367R311-Y363 WeakPolarHBondContact CD-OH 3.24Å; R311-Y363 HydrophobicContact CG-CE2 4.44Å; R311-Y363 PolarHBondContact NH1-OH 3.28Å; A343-Y363 HydrophobicContact CB-CD2 4.27Å; A343-Y363 HydrophobicContact CB-CE2 3.87Å; A343-Y363 PolarHBondContact N-O 2.89Å; A343-Y363 PolarHBondContact O-N 3.38Å; G345-Y363 WeakPolarHBondContact O-CE1 3.45Å; G345-Y363 PolarHBondContact O-OH 3.01Å; V357-Y363 HydrophobicContact CG2-CD1 3.99Å; V357-Y363 HydrophobicContact CG2-CE1 3.84Å; E361-Y363 WeakPolarHBondContact O-CD1 3.45Å; Y363-P367 HydrophobicContact CD1-CG 4.45Å; Y363-P367 HydrophobicContact CD2-CG 3.6Å; Y363-P367 HydrophobicContact CE2-CG 4.09Å; Y363-P367 HydrophobicContact CG-CG 3.8Å
364T96.3Very high98Very high47 Ų4722.7 Ų22.729%0.28811%0.114SC..SBendtrans-109-99.8167.6550000109.1V309 I337 M342V309-T364 VanDerWaalsContact CG2-O 3.29Å; V309-T364 WeakPolarHBondContact CG2-O 3.23Å; I337-T364 WeakPolarHBondContact CD1-O 3.21Å; M342-T364 HydrophobicContact CB-CG2 4.47Å; M342-T364 HydrophobicContact CE-CG2 4.36Å; M342-T364 HydrophobicContact CG-CG2 3.93Å
365F97.1Very high98Very high27 Ų2722.7 Ų22.712%0.11811%0.114CC..SBendtrans-106.8-2.6-175.9-48-64.7000113.7Q304 V309 I337 P367 D368Q304-F365 HydrophobicContact CG-CB 3.93Å; Q304-F365 HydrophobicContact CG-CD1 3.81Å; Q304-F365 HydrophobicContact CG-CD2 4.17Å; Q304-F365 HydrophobicContact CG-CE1 4.34Å; Q304-F365 HydrophobicContact CG-CG 3.72Å; V309-F365 HydrophobicContact CB-CD1 3.99Å; I337-F365 HydrophobicContact CD1-CE1 4.48Å; F365-P367 VanDerWaalsContact C-N 3.28Å; F365-D368 PolarHBondContact O-N 2.93Å; F365-D368 VanDerWaalsContact O-N 3.09Å
366S98.1Very high98Very high9 Ų922.5 Ų22.56%0.06311%0.113CC..Hα-helixtrans-53.9-32.1-179.262.80000115.5E356 D368 W369 W370 R432 C435E356-S366 VanDerWaalsContact OE1-CB 3.27Å; E356-S366 WeakPolarHBondContact OE1-CB 3.31Å; E356-S366 PolarHBondContact OE1-OG 3.07Å; S366-D368 VanDerWaalsContact C-N 3.27Å; S366-D368 PolarHBondContact O-N 3.46Å; S366-W369 PolarHBondContact O-N 3.37Å; S366-W370 PolarHBondContact O-N 3Å; S366-R432 PolarHBondContact O-NH1 3.11Å; S366-C435 WeakPolarHBondContact CA-SG 3.31Å; S366-C435 WeakPolarHBondContact CB-SG 3.49Å
367P98.6Very high98.1Very high10 Ų1022.7 Ų22.77%0.06511%0.114CC..Hα-helixtrans-65.5-28.9178-23.536.9000113.8A354 V357 Y363 F365 W370 G371A354-P367 HydrophobicContact CB-CB 4.21Å; V357-P367 HydrophobicContact CG2-CB 3.83Å; V357-P367 HydrophobicContact CG2-CG 3.56Å; Y363-P367 HydrophobicContact CD1-CG 4.45Å; Y363-P367 HydrophobicContact CD2-CG 3.6Å; Y363-P367 HydrophobicContact CE2-CG 4.09Å; Y363-P367 HydrophobicContact CG-CG 3.8Å; F365-P367 VanDerWaalsContact C-N 3.28Å; P367-W370 WeakPolarHBondContact O-CB 3.5Å; P367-W370 PolarHBondContact O-N 3.48Å; P367-G371 PolarHBondContact O-N 3.39Å
368D98.6Very high98.1Very high2 Ų222.7 Ų22.71%0.01111%0.113CC..Hα-helixtrans-74.3-37.6-177.6-66.6-20.8000111.3L300 V309 Y310 R311 F365 S366 W370 G371 L372L300-D368 HydrophobicContact CD1-CB 4.15Å; L300-D368 HydrophobicContact CD2-CB 3.82Å; V309-D368 WeakPolarHBondContact CG2-OD2 3.36Å; Y310-D368 PolarHBondContact N-OD1 3.44Å; Y310-D368 PolarHBondContact N-OD2 3Å; R311-D368 PolarHBondContact N-OD1 3.08Å; F365-D368 PolarHBondContact O-N 2.93Å; F365-D368 VanDerWaalsContact O-N 3.09Å; S366-D368 VanDerWaalsContact C-N 3.27Å; S366-D368 PolarHBondContact O-N 3.46Å; D368-W370 VanDerWaalsContact C-N 3.34Å; D368-G371 PolarHBondContact O-N 2.95Å; D368-L372 PolarHBondContact O-N 3.42Å
369W98.7Very high98.1Very high2 Ų222.1 Ų22.11%0.00811%0.11CC..Hα-helixtrans-66.6-35.8173.6-63.8125.9000112.7L300 Q304 S366 L372 G373 L424 G434 A440 V443L300-W369 HydrophobicContact CB-CH2 4.29Å; L300-W369 HydrophobicContact CB-CZ3 4.38Å; L300-W369 HydrophobicContact CD1-CE3 4.12Å; L300-W369 HydrophobicContact CD1-CZ3 4.08Å; Q304-W369 VanDerWaalsContact NE2-CE2 3.31Å; Q304-W369 VanDerWaalsContact NE2-NE1 3.19Å; S366-W369 PolarHBondContact O-N 3.37Å; W369-L372 HydrophobicContact CE3-CD2 3.86Å; W369-L372 HydrophobicContact CZ3-CD2 3.87Å; W369-L372 PolarHBondContact O-N 3.28Å; W369-G373 PolarHBondContact O-N 3.42Å; W369-G373 VanDerWaalsContact O-N 3.14Å; W369-L424 HydrophobicContact CB-CD2 4.15Å; W369-L424 HydrophobicContact CE3-CD2 4.47Å; W369-G434 VanDerWaalsContact NE1-C 3.3Å; W369-G434 PolarHBondContact NE1-O 2.81Å; W369-A440 HydrophobicContact CH2-CB 3.72Å; W369-A440 HydrophobicContact CZ2-CB 3.9Å; W369-V443 HydrophobicContact CD2-CG2 4.35Å; W369-V443 HydrophobicContact CE3-CG2 3.94Å; W369-V443 HydrophobicContact CH2-CG2 4.12Å; W369-V443 HydrophobicContact CZ2-CG2 4.48Å; W369-V443 HydrophobicContact CZ3-CB 4.34Å; W369-V443 HydrophobicContact CZ3-CG1 4.27Å; W369-V443 HydrophobicContact CZ3-CG2 3.82Å
370W98.7Very high98.1Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-61.7-47.5169.2171.1-87.2000111.5Y352 M353 A354 P355 S366 P367 D368 L372 G373 C374 F386 I402 L425 K427Y352-W370 PolarHBondContact O-NE1 2.98Å; M353-W370 PolarHBondContact O-NE1 3.28Å; A354-W370 VanDerWaalsContact CA-CD1 3.49Å; A354-W370 HydrophobicContact CB-CB 3.65Å; A354-W370 HydrophobicContact CB-CD2 4.06Å; A354-W370 HydrophobicContact CB-CG 3.51Å; P355-W370 HydrophobicContact CG-CE3 4.39Å; P355-W370 HydrophobicContact CG-CH2 3.89Å; P355-W370 HydrophobicContact CG-CZ2 4.35Å; P355-W370 HydrophobicContact CG-CZ3 3.9Å; S366-W370 PolarHBondContact O-N 3Å; P367-W370 WeakPolarHBondContact O-CB 3.5Å; P367-W370 PolarHBondContact O-N 3.48Å; D368-W370 VanDerWaalsContact C-N 3.34Å; W370-L372 PolarHBondContact O-N 3.49Å; W370-G373 WeakPolarHBondContact O-CA 3.48Å; W370-G373 PolarHBondContact O-N 3.14Å; W370-C374 PolarHBondContact NE1-SG 3.48Å; W370-C374 VanDerWaalsContact NE1-SG 3.44Å; W370-C374 PolarHBondContact O-N 2.96Å; W370-F386 AromaticContact CH2-CE2 3.78Å; W370-F386 HydrophobicContact CH2-CE2 3.78Å; W370-F386 AromaticContact CH2-CZ 3.71Å; W370-F386 HydrophobicContact CH2-CZ 3.71Å; W370-F386 HydrophobicContact CZ2-CD2 4.28Å; W370-F386 AromaticContact CZ2-CE2 3.36Å; W370-F386 HydrophobicContact CZ2-CE2 3.36Å; W370-F386 AromaticContact CZ2-CZ 3.81Å; W370-F386 HydrophobicContact CZ2-CZ 3.81Å; W370-I402 HydrophobicContact CZ2-CG2 4.02Å; W370-L425 HydrophobicContact CD2-CD2 3.92Å; W370-L425 HydrophobicContact CE3-CB 4.47Å; W370-L425 HydrophobicContact CE3-CD2 3.93Å; W370-L425 HydrophobicContact CH2-CD2 4.11Å; W370-L425 HydrophobicContact CZ2-CD2 4.1Å; W370-L425 HydrophobicContact CZ3-CB 4.12Å; W370-L425 HydrophobicContact CZ3-CD2 4.03Å; W370-L425 WeakPolarHBondContact CZ3-O 3.45Å; W370-K427 HydrophobicContact CH2-CD 3.62Å; W370-K427 HydrophobicContact CZ3-CD 3.74Å
371G98.5Very high98.1Very high1 Ų117.6 Ų17.61%0.019%0.085CC..Hα-helixtrans-56.5-39.3176.100000112.4L313 P367 D368 C374 L375L313-G371 VanDerWaalsContact CD2-C 3.48Å; P367-G371 PolarHBondContact O-N 3.39Å; D368-G371 PolarHBondContact O-N 2.95Å; G371-C374 WeakPolarHBondContact O-CB 3.44Å; G371-C374 PolarHBondContact O-N 2.8Å; G371-L375 PolarHBondContact O-N 2.88Å
372L98.8Very high98Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-62.1-43.6174.9-178.961.5000111.2A293 L296 C297 L300 L313 D368 W369 W370 C374 L375 I376 L424 V443A293-L372 HydrophobicContact CB-CD1 4.42Å; L296-L372 HydrophobicContact CB-CD1 3.73Å; L296-L372 HydrophobicContact CD1-CD1 3.91Å; L296-L372 HydrophobicContact CG-CD1 4.48Å; C297-L372 HydrophobicContact CB-CD2 4.44Å; L300-L372 HydrophobicContact CD1-CB 4.19Å; L313-L372 HydrophobicContact CD2-CB 4.19Å; D368-L372 PolarHBondContact O-N 3.42Å; W369-L372 HydrophobicContact CE3-CD2 3.86Å; W369-L372 HydrophobicContact CZ3-CD2 3.87Å; W369-L372 PolarHBondContact O-N 3.28Å; W370-L372 PolarHBondContact O-N 3.49Å; L372-C374 PolarHBondContact O-N 3.21Å; L372-L375 PolarHBondContact O-N 2.86Å; L372-I376 HydrophobicContact CD1-CD1 4.27Å; L372-I376 HydrophobicContact CD1-CG1 4.33Å; L372-I376 HydrophobicContact CG-CD1 4.01Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.22Å; L372-I376 PolarHBondContact O-N 2.84Å; L372-L424 HydrophobicContact CB-CD1 4.41Å; L372-L424 HydrophobicContact CD2-CD1 4.13Å; L372-L424 HydrophobicContact CG-CD1 4.02Å; L372-V443 HydrophobicContact CD2-CG1 4.33Å
373G98.7Very high97.8Very high0 Ų09 Ų90%05%0.047CC..Hα-helixtrans-59-44.1173.600000112.7W369 W370 L375 I376 Y377W369-G373 PolarHBondContact O-N 3.42Å; W369-G373 VanDerWaalsContact O-N 3.14Å; W370-G373 WeakPolarHBondContact O-CA 3.48Å; W370-G373 PolarHBondContact O-N 3.14Å; G373-L375 VanDerWaalsContact C-N 3.33Å; G373-L375 PolarHBondContact O-N 2.98Å; G373-I376 PolarHBondContact O-N 3.44Å; G373-Y377 WeakPolarHBondContact O-CB 3.2Å; G373-Y377 PolarHBondContact O-N 3.42Å; G373-Y377 VanDerWaalsContact O-N 3.07Å
374C98.7Very high97.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-60.2-42.4174.7-71.90000112Y352 W370 G371 L372 E378 P385Y352-C374 HydrophobicContact CD1-CB 3.97Å; Y352-C374 HydrophobicContact CE1-CB 4.49Å; W370-C374 PolarHBondContact NE1-SG 3.48Å; W370-C374 VanDerWaalsContact NE1-SG 3.44Å; W370-C374 PolarHBondContact O-N 2.96Å; G371-C374 WeakPolarHBondContact O-CB 3.44Å; G371-C374 PolarHBondContact O-N 2.8Å; L372-C374 PolarHBondContact O-N 3.21Å; C374-E378 VanDerWaalsContact O-CB 3.31Å; C374-E378 WeakPolarHBondContact O-CB 3.49Å; C374-E378 PolarHBondContact O-N 3.3Å; C374-P385 HydrophobicContact CB-CG 4.4Å
375L98.5Very high97.7Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-68.6-44.4179.7-80.2-170.9000113.1L296 L313 P315 I318 G371 L372 G373 Y377 E378 M379L296-L375 HydrophobicContact CD1-CB 4.4Å; L296-L375 HydrophobicContact CD1-CD1 3.52Å; L313-L375 HydrophobicContact CD1-CD1 4.4Å; L313-L375 HydrophobicContact CD2-CD1 3.73Å; L313-L375 HydrophobicContact CD2-CG 4.37Å; L313-L375 HydrophobicContact CG-CD1 3.6Å; L313-L375 HydrophobicContact CG-CG 4.4Å; P315-L375 HydrophobicContact CB-CD2 4.32Å; P315-L375 VanDerWaalsContact CD-CD2 3.45Å; P315-L375 HydrophobicContact CG-CD2 3.54Å; I318-L375 HydrophobicContact CD1-CD1 4.48Å; I318-L375 HydrophobicContact CG1-CD1 3.9Å; G371-L375 PolarHBondContact O-N 2.88Å; L372-L375 PolarHBondContact O-N 2.86Å; G373-L375 VanDerWaalsContact C-N 3.33Å; G373-L375 PolarHBondContact O-N 2.98Å; L375-Y377 VanDerWaalsContact C-N 3.28Å; L375-Y377 PolarHBondContact O-N 2.85Å; L375-E378 PolarHBondContact O-N 3.15Å; L375-M379 WeakPolarHBondContact O-CB 3.4Å; L375-M379 VanDerWaalsContact O-CG 3.23Å; L375-M379 WeakPolarHBondContact O-CG 3.39Å; L375-M379 PolarHBondContact O-N 3.28Å
376I98.7Very high97.5Very high4 Ų47 Ų72%0.0214%0.038CC..Hα-helixtrans-58.6-46.8176.3-64166000109.5A293 L372 G373 E378 M379 I380 I420 C421 L424A293-I376 HydrophobicContact CB-CD1 3.91Å; A293-I376 HydrophobicContact CB-CG1 3.62Å; L372-I376 HydrophobicContact CD1-CD1 4.27Å; L372-I376 HydrophobicContact CD1-CG1 4.33Å; L372-I376 HydrophobicContact CG-CD1 4.01Å; L372-I376 HydrophobicContact CG-CG1 4.5Å; L372-I376 WeakPolarHBondContact O-CG1 3.22Å; L372-I376 PolarHBondContact O-N 2.84Å; G373-I376 PolarHBondContact O-N 3.44Å; I376-E378 PolarHBondContact O-N 2.75Å; I376-M379 HydrophobicContact CG1-CE 4.47Å; I376-M379 PolarHBondContact O-N 3.07Å; I376-I380 HydrophobicContact CG2-CD1 3.99Å; I376-I380 WeakPolarHBondContact O-CG1 3.48Å; I376-I380 PolarHBondContact O-N 3.03Å; I376-I420 HydrophobicContact CD1-CG1 4.25Å; I376-I420 HydrophobicContact CD1-CG2 4.49Å; I376-I420 HydrophobicContact CG2-CG2 4.44Å; I376-C421 WeakPolarHBondContact CG2-SG 3.44Å; I376-L424 HydrophobicContact CD1-CD1 3.72Å
377Y98.6Very high97.1Very high6 Ų610.5 Ų10.52%0.0245%0.052CC..Hα-helixtrans-56.8-52176.9-177-77.2000111.3G373 L375 M379 I380 Q381 H383 P385 E407 E408 Y409 F413G373-Y377 WeakPolarHBondContact O-CB 3.2Å; G373-Y377 PolarHBondContact O-N 3.42Å; G373-Y377 VanDerWaalsContact O-N 3.07Å; L375-Y377 VanDerWaalsContact C-N 3.28Å; L375-Y377 PolarHBondContact O-N 2.85Å; Y377-M379 PolarHBondContact O-N 2.97Å; Y377-I380 PolarHBondContact O-N 3.4Å; Y377-Q381 HydrophobicContact CD1-CB 3.96Å; Y377-Q381 HydrophobicContact CD1-CG 4.47Å; Y377-Q381 HydrophobicContact CE1-CB 3.62Å; Y377-Q381 HydrophobicContact CE1-CG 3.64Å; Y377-Q381 WeakPolarHBondContact O-CB 3.45Å; Y377-Q381 PolarHBondContact O-N 2.93Å; Y377-H383 WeakPolarHBondContact CD1-O 3.43Å; Y377-H383 WeakPolarHBondContact CE1-O 3.35Å; Y377-P385 HydrophobicContact CD1-CB 3.77Å; Y377-P385 HydrophobicContact CD1-CG 4.17Å; Y377-P385 HydrophobicContact CD2-CB 4.17Å; Y377-P385 VanDerWaalsContact CE1-CA 3.42Å; Y377-P385 HydrophobicContact CE1-CB 3.91Å; Y377-P385 HydrophobicContact CE2-CB 4.29Å; Y377-P385 HydrophobicContact CG-CB 3.92Å; Y377-P385 HydrophobicContact CG-CG 4.32Å; Y377-E407 HydrophobicContact CD2-CG 4.45Å; Y377-E407 HydrophobicContact CE2-CB 4.23Å; Y377-E407 HydrophobicContact CE2-CG 4.35Å; Y377-E408 WeakPolarHBondContact CE2-O 3.45Å; Y377-E408 VanDerWaalsContact CZ-O 3.27Å; Y377-E408 PolarHBondContact OH-O 2.75Å; Y377-Y409 HydrophobicContact CD2-CD1 4.12Å; Y377-Y409 AromaticContact CD2-CE1 3.75Å; Y377-Y409 HydrophobicContact CD2-CE1 3.75Å; Y377-Y409 HydrophobicContact CE2-CD1 4.03Å; Y377-Y409 HydrophobicContact CE2-CE1 4.01Å; Y377-F413 HydrophobicContact CD2-CE1 4.43Å; Y377-F413 AromaticContact CD2-CZ 3.88Å; Y377-F413 HydrophobicContact CD2-CZ 3.88Å; Y377-F413 HydrophobicContact CE2-CZ 4.21Å; Y377-F413 HydrophobicContact CG-CZ 4.17Å
378E98Very high96.1Very high3 Ų316.5 Ų16.51%0.0148%0.077CC..Hα-helixtrans-68.5-35.1-174.6-175.4165.2176.600113I276 Y277 P315 Y352 C374 L375 I376 G382 H383I276-E378 HydrophobicContact CD1-CG 4.29Å; Y277-E378 WeakPolarHBondContact CE2-OE1 3.35Å; Y277-E378 VanDerWaalsContact CZ-OE1 3.32Å; Y277-E378 PolarHBondContact OH-OE1 3.36Å; P315-E378 HydrophobicContact CG-CG 4.43Å; Y352-E378 VanDerWaalsContact CE1-OE2 3.28Å; Y352-E378 WeakPolarHBondContact CE1-OE2 3.09Å; Y352-E378 PolarHBondContact OH-OE1 3.01Å; Y352-E378 PolarHBondContact OH-OE2 3.36Å; C374-E378 VanDerWaalsContact O-CB 3.31Å; C374-E378 WeakPolarHBondContact O-CB 3.49Å; C374-E378 PolarHBondContact O-N 3.3Å; L375-E378 PolarHBondContact O-N 3.15Å; I376-E378 PolarHBondContact O-N 2.75Å; E378-G382 VanDerWaalsContact O-CA 3.31Å; E378-G382 WeakPolarHBondContact O-CA 3.15Å; E378-G382 PolarHBondContact O-N 3.2Å; E378-H383 WeakPolarHBondContact CA-O 3.44Å
379M98.3Very high95Very high0 Ų021.6 Ų21.60%010%0.097CC..Hα-helixtrans-61.7-41.8173.2-75.7-170.6-62.900111.8L272 I276 G283 F284 A289 Y292 A293 L375 I376 Y377L272-M379 HydrophobicContact CD1-SD 4Å; I276-M379 HydrophobicContact CD1-CG 3.91Å; I276-M379 HydrophobicContact CG1-CG 4.44Å; G283-M379 CarbonylContact C-O 3.58Å; G283-M379 WeakPolarHBondContact CA-O 3.35Å; F284-M379 HydrophobicContact CD2-CB 3.75Å; F284-M379 HydrophobicContact CD2-CG 3.82Å; F284-M379 HydrophobicContact CD2-SD 4.08Å; F284-M379 HydrophobicContact CE2-CB 4.08Å; F284-M379 HydrophobicContact CE2-CG 3.64Å; F284-M379 HydrophobicContact CE2-SD 3.86Å; F284-M379 PolarHBondContact N-O 3.22Å; A289-M379 HydrophobicContact CB-CB 3.8Å; A289-M379 HydrophobicContact CB-CE 4.31Å; A289-M379 WeakPolarHBondContact O-CE 3.36Å; Y292-M379 HydrophobicContact CD2-SD 4.04Å; A293-M379 HydrophobicContact CB-CE 4.43Å; L375-M379 WeakPolarHBondContact O-CB 3.4Å; L375-M379 VanDerWaalsContact O-CG 3.23Å; L375-M379 WeakPolarHBondContact O-CG 3.39Å; L375-M379 PolarHBondContact O-N 3.28Å; I376-M379 HydrophobicContact CG1-CE 4.47Å; I376-M379 PolarHBondContact O-N 3.07Å; Y377-M379 PolarHBondContact O-N 2.97Å
380I98.1Very high93.9Very high2 Ų229.3 Ų29.31%0.0113%0.13CC..Hα-helixtrans-82.5-50.6-178.2-62.7170.8000111E286 A289 I376 Y377 G382 K412 F413 A417E286-I380 HydrophobicContact CG-CD1 4.22Å; A289-I380 HydrophobicContact CB-CD1 4.28Å; A289-I380 HydrophobicContact CB-CG1 3.62Å; I376-I380 HydrophobicContact CG2-CD1 3.99Å; I376-I380 WeakPolarHBondContact O-CG1 3.48Å; I376-I380 PolarHBondContact O-N 3.03Å; Y377-I380 PolarHBondContact O-N 3.4Å; I380-G382 PolarHBondContact O-N 3.37Å; I380-K412 HydrophobicContact CG2-CB 3.9Å; I380-K412 WeakPolarHBondContact O-CD 3.49Å; I380-F413 HydrophobicContact CB-CD1 4.23Å; I380-F413 HydrophobicContact CB-CE1 3.74Å; I380-F413 HydrophobicContact CB-CE2 4.19Å; I380-F413 HydrophobicContact CB-CZ 3.72Å; I380-F413 HydrophobicContact CD1-CD1 3.83Å; I380-F413 HydrophobicContact CD1-CE1 3.75Å; I380-F413 HydrophobicContact CG1-CE1 4.31Å; I380-F413 HydrophobicContact CG2-CD1 3.87Å; I380-F413 HydrophobicContact CG2-CD2 3.82Å; I380-F413 HydrophobicContact CG2-CE1 3.83Å; I380-F413 HydrophobicContact CG2-CE2 3.76Å; I380-F413 HydrophobicContact CG2-CG 3.86Å; I380-F413 HydrophobicContact CG2-CZ 3.78Å; I380-A417 HydrophobicContact CD1-CB 3.93Å
381Q96.6Very high93.3Very high30 Ų3031.7 Ų31.714%0.1414%0.142CC..Hα-helixtrans-69.2-37.4-174.6-17463.82900111.7Y377 H383 S410 K412 F413Y377-Q381 HydrophobicContact CD1-CB 3.96Å; Y377-Q381 HydrophobicContact CD1-CG 4.47Å; Y377-Q381 HydrophobicContact CE1-CB 3.62Å; Y377-Q381 HydrophobicContact CE1-CG 3.64Å; Y377-Q381 WeakPolarHBondContact O-CB 3.45Å; Y377-Q381 PolarHBondContact O-N 2.93Å; Q381-H383 VanDerWaalsContact CG-CE1 3.41Å; Q381-H383 WeakPolarHBondContact CG-CE1 3.48Å; Q381-H383 WeakPolarHBondContact CG-NE2 3.48Å; Q381-H383 PolarHBondContact NE2-NE2 3.4Å; Q381-H383 VanDerWaalsContact NE2-NE2 3.14Å; Q381-S410 VanDerWaalsContact OE1-CB 3.25Å; Q381-S410 PolarHBondContact OE1-OG 3.48Å; Q381-K412 PolarHBondContact O-NZ 3.34Å; Q381-F413 HydrophobicContact CB-CE2 3.85Å; Q381-F413 HydrophobicContact CB-CZ 3.98Å; Q381-F413 VanDerWaalsContact OE1-CE2 3.32Å
382G95.5Very high92.6Very high3 Ų341.8 Ų41.83%0.03119%0.185CC..SBendtrans87.814.4-172.400000114.2Y277 E378 I380Y277-G382 VanDerWaalsContact CE1-O 3.22Å; Y277-G382 WeakPolarHBondContact CE1-O 3.41Å; E378-G382 VanDerWaalsContact O-CA 3.31Å; E378-G382 WeakPolarHBondContact O-CA 3.15Å; E378-G382 PolarHBondContact O-N 3.2Å; I380-G382 PolarHBondContact O-N 3.37Å
383H94Very high92.3Very high40 Ų4043.7 Ų43.719%0.18520%0.197CC..SBendtrans-157.3161.4168.362.974.5000111Y377 E378 Q381Y377-H383 WeakPolarHBondContact CD1-O 3.43Å; Y377-H383 WeakPolarHBondContact CE1-O 3.35Å; E378-H383 WeakPolarHBondContact CA-O 3.44Å; Q381-H383 VanDerWaalsContact CG-CE1 3.41Å; Q381-H383 WeakPolarHBondContact CG-CE1 3.48Å; Q381-H383 WeakPolarHBondContact CG-NE2 3.48Å; Q381-H383 PolarHBondContact NE2-NE2 3.4Å; Q381-H383 VanDerWaalsContact NE2-NE2 3.14Å
384S94.4Very high91.9Very high8 Ų851.6 Ų51.66%0.05623%0.231CC..  trans-62.5149.1176.8170.10000112.2F386 K387S384-F386 VanDerWaalsContact C-N 3.29Å; S384-F386 PolarHBondContact O-N 3.06Å; S384-K387 WeakPolarHBondContact CB-O 3.39Å
385P95.7Very high91.6Very high18 Ų1856.4 Ų56.412%0.11725%0.249CC..SBendtrans-63.5-29.3-179.221.6-32.6000114.4C374 Y377 E407 L425C374-P385 HydrophobicContact CB-CG 4.4Å; Y377-P385 HydrophobicContact CD1-CB 3.77Å; Y377-P385 HydrophobicContact CD1-CG 4.17Å; Y377-P385 HydrophobicContact CD2-CB 4.17Å; Y377-P385 VanDerWaalsContact CE1-CA 3.42Å; Y377-P385 HydrophobicContact CE1-CB 3.91Å; Y377-P385 HydrophobicContact CE2-CB 4.29Å; Y377-P385 HydrophobicContact CG-CB 3.92Å; Y377-P385 HydrophobicContact CG-CG 4.32Å; P385-E407 HydrophobicContact CB-CB 4.07Å; P385-L425 HydrophobicContact CB-CD1 4.47Å
386F94.5Very high91.3Very high8 Ų862 Ų624%0.03528%0.276CS..SBendtrans-114.40.7-175.1-53.6-72000113.4W370 S384 R401 I402W370-F386 AromaticContact CH2-CE2 3.78Å; W370-F386 HydrophobicContact CH2-CE2 3.78Å; W370-F386 AromaticContact CH2-CZ 3.71Å; W370-F386 HydrophobicContact CH2-CZ 3.71Å; W370-F386 HydrophobicContact CZ2-CD2 4.28Å; W370-F386 AromaticContact CZ2-CE2 3.36Å; W370-F386 HydrophobicContact CZ2-CE2 3.36Å; W370-F386 AromaticContact CZ2-CZ 3.81Å; W370-F386 HydrophobicContact CZ2-CZ 3.81Å; S384-F386 VanDerWaalsContact C-N 3.29Å; S384-F386 PolarHBondContact O-N 3.06Å; F386-R401 HydrophobicContact CB-CB 4.3Å; F386-R401 HydrophobicContact CD1-CB 4.25Å; F386-R401 WeakPolarHBondContact O-CD 3.5Å; F386-R401 PolarHBondContact O-NH1 3.06Å; F386-I402 HydrophobicContact CB-CG1 4.13Å; F386-I402 HydrophobicContact CD2-CG1 3.81Å; F386-I402 HydrophobicContact CE2-CG1 4.45Å; F386-I402 HydrophobicContact CG-CG1 3.88Å
387K88.6Confident91.2Very high83 Ų8366 Ų6636%0.36129%0.294SS..SBendtrans-147.5116.2-179.4-174.1-176.3179.7179.50110.7S384 E391 I398S384-K387 WeakPolarHBondContact CB-O 3.39Å; K387-E391 WeakPolarHBondContact CE-O 3.05Å; K387-E391 HydrophobicContact CG-CB 4.4Å; K387-I398 HydrophobicContact CD-CD1 3.97Å; K387-I398 HydrophobicContact CG-CD1 4.43Å
388K78.4Confident90.9Very high136 Ų13665.9 Ų65.959%0.59129%0.294SS*.  trans-68.3155.9177.2-65.7-177.3180-179.40110.9K390 E391K388-K390 PolarHBondContact O-N 2.92Å; K388-E391 HydrophobicContact CB-CB 4.04Å; K388-E391 HydrophobicContact CB-CG 4.38Å; K388-E391 PolarHBondContact N-OE2 3.34Å; K388-E391 WeakPolarHBondContact O-CB 3.45Å; K388-E391 PolarHBondContact O-N 3.37Å; K388-E391 VanDerWaalsContact O-N 3.09Å
389Y74.6Confident90.8Very high109 Ų10966.5 Ų66.543%0.42730%0.297SS..THydrogen-bonded Turntrans-59.4131178.9-176.2-115.6000111.1Y277 E391Y277-Y389 AromaticContact CD1-CD2 3.34Å; Y277-Y389 HydrophobicContact CD1-CD2 3.34Å; Y277-Y389 AromaticContact CD1-CE2 3.23Å; Y277-Y389 HydrophobicContact CD1-CE2 3.23Å; Y277-Y389 HydrophobicContact CD1-CG 4.15Å; Y277-Y389 AromaticContact CD1-CZ 3.98Å; Y277-Y389 AromaticContact CE1-CD2 3.18Å; Y277-Y389 HydrophobicContact CE1-CD2 3.18Å; Y277-Y389 AromaticContact CE1-CE2 3.59Å; Y277-Y389 HydrophobicContact CE1-CE2 3.59Å; Y277-Y389 AromaticContact CE1-CG 3.96Å; Y277-Y389 HydrophobicContact CE1-CG 3.96Å; Y277-Y389 HydrophobicContact CG-CD2 4.25Å; Y277-Y389 AromaticContact CG-CE2 3.77Å; Y277-Y389 HydrophobicContact CG-CE2 3.77Å; Y389-E391 PolarHBondContact O-N 2.9Å; Y389-E391 VanDerWaalsContact O-N 3.1Å
390K76.1Confident90.7Very high165 Ų16571 Ų7172%0.71732%0.318SS*.THydrogen-bonded Turntrans59.710.1-175.6-64.6173.4174.6171.90115.7K388 K392K388-K390 PolarHBondContact O-N 2.92Å; K390-K392 PolarHBondContact O-N 3.09Å
391E85.1Confident90.6Very high50 Ų5073.1 Ų73.123%0.23433%0.326CS..  trans-65.9125.7175.6-154.7-164.7170.500110.4K387 K388 Y389 V393 R401K387-E391 WeakPolarHBondContact CE-O 3.05Å; K387-E391 HydrophobicContact CG-CB 4.4Å; K388-E391 HydrophobicContact CB-CB 4.04Å; K388-E391 HydrophobicContact CB-CG 4.38Å; K388-E391 PolarHBondContact N-OE2 3.34Å; K388-E391 WeakPolarHBondContact O-CB 3.45Å; K388-E391 PolarHBondContact O-N 3.37Å; K388-E391 VanDerWaalsContact O-N 3.09Å; Y389-E391 PolarHBondContact O-N 2.9Å; Y389-E391 VanDerWaalsContact O-N 3.1Å; E391-V393 VanDerWaalsContact CD-CG2 3.46Å; E391-V393 HydrophobicContact CG-CG2 3.66Å; E391-V393 WeakPolarHBondContact OE1-CG2 3.46Å; E391-R401 IonicContact OE1-CZ 3.28Å; E391-R401 IonicContact OE1-NH1 3.74Å; E391-R401 PolarHBondContact OE1-NH1 2.91Å; E391-R401 IonicContact OE1-NH2 3.14Å; E391-R401 PolarHBondContact OE1-NH2 3.22Å; E391-R401 IonicContact OE2-NH1 3.66Å; E391-R401 PolarHBondContact OE2-NH1 3.04Å; E391-R401 VanDerWaalsContact OE2-NH1 3.14Å
392K85.8Confident90.6Very high212 Ų21271.7 Ų71.792%0.92232%0.319SS*.  trans-97.194.5176.4-70.3-175.7-178.6177.70109.4K390K390-K392 PolarHBondContact O-N 3.09Å
393V90.5Very high90.5Very high41 Ų4174.7 Ų74.725%0.24833%0.331CS..  trans-126.7145.7-178.4176.80000110.1E391 E397 I398E391-V393 VanDerWaalsContact CD-CG2 3.46Å; E391-V393 HydrophobicContact CG-CG2 3.66Å; E391-V393 WeakPolarHBondContact OE1-CG2 3.46Å; V393-E397 HydrophobicContact CG1-CB 3.47Å; V393-E397 VanDerWaalsContact CG1-CB 3.47Å; V393-E397 HydrophobicContact CG1-CG 3.26Å; V393-I398 HydrophobicContact CB-CG1 4.36Å; V393-I398 HydrophobicContact CG1-CG1 4.01Å
394K92.1Very high90.6Very high165 Ų16578 Ų7872%0.71735%0.35SS*.  trans-66.1153.3176.6-67.1-174.3-179.4178.10110.5E396 E397 I398K394-E396 VanDerWaalsContact C-N 3.27Å; K394-E396 WeakPolarHBondContact CB-OE2 3.32Å; K394-E396 PolarHBondContact O-N 3.08Å; K394-E397 PolarHBondContact O-N 3.25Å; K394-I398 PolarHBondContact O-N 3.45Å
395R91.1Very high90.7Very high101 Ų10181.1 Ų81.138%0.38137%0.367SS..Hα-helixtrans-59.5-40.8-178.3178.7179.7-178.2168.65111.8R346 V350 E397 I398 D399R346-R395 VanDerWaalsContact NH1-NH2 3.17Å; V350-R395 HydrophobicContact CG1-CG 4.2Å; V350-R395 HydrophobicContact CG2-CG 3.98Å; R395-E397 VanDerWaalsContact C-N 3.29Å; R395-E397 PolarHBondContact O-N 3.05Å; R395-I398 PolarHBondContact O-N 2.95Å; R395-D399 VanDerWaalsContact O-CG 3.28Å; R395-D399 PolarHBondContact O-N 3.46Å
396E93.4Very high90.6Very high119 Ų11985.7 Ų85.756%0.55639%0.394SS*.Hα-helixtrans-64.1-36.7-175.4-60.569.8-148.200111.6K394 D399 Q400K394-E396 VanDerWaalsContact C-N 3.27Å; K394-E396 WeakPolarHBondContact CB-OE2 3.32Å; K394-E396 PolarHBondContact O-N 3.08Å; E396-D399 WeakPolarHBondContact O-CB 3.45Å; E396-D399 PolarHBondContact O-N 3.04Å; E396-Q400 WeakPolarHBondContact O-CG 3.5Å; E396-Q400 PolarHBondContact O-N 3.31Å
397E94.9Very high90.7Very high86 Ų8686 Ų8640%0.40240%0.396SS..Hα-helixtrans-67.7-45.7175.8172.362.7-165.400110.7V393 K394 R395 D399 Q400 R401V393-E397 HydrophobicContact CG1-CB 3.47Å; V393-E397 VanDerWaalsContact CG1-CB 3.47Å; V393-E397 HydrophobicContact CG1-CG 3.26Å; K394-E397 PolarHBondContact O-N 3.25Å; R395-E397 VanDerWaalsContact C-N 3.29Å; R395-E397 PolarHBondContact O-N 3.05Å; E397-D399 VanDerWaalsContact C-N 3.27Å; E397-D399 PolarHBondContact O-N 3.33Å; E397-Q400 WeakPolarHBondContact O-CB 3.44Å; E397-Q400 PolarHBondContact O-N 3.27Å; E397-R401 WeakPolarHBondContact O-CG 3.44Å; E397-R401 PolarHBondContact O-N 3.11Å; E397-R401 IonicContact OE1-CZ 3.77Å; E397-R401 IonicContact OE1-NE 3.02Å; E397-R401 PolarHBondContact OE1-NE 3.01Å; E397-R401 IonicContact OE1-NH2 3.45Å
398I94.4Very high91Very high4 Ų489.2 Ų89.22%0.02141%0.412CS..Hα-helixtrans-60.6-40.1175-61.4167.2000110.7V350 K387 V393 K394 R395 Q400 R401 I402V350-I398 HydrophobicContact CG1-CB 4.09Å; V350-I398 HydrophobicContact CG1-CD1 3.84Å; V350-I398 HydrophobicContact CG1-CG2 3.87Å; K387-I398 HydrophobicContact CD-CD1 3.97Å; K387-I398 HydrophobicContact CG-CD1 4.43Å; V393-I398 HydrophobicContact CB-CG1 4.36Å; V393-I398 HydrophobicContact CG1-CG1 4.01Å; K394-I398 PolarHBondContact O-N 3.45Å; R395-I398 PolarHBondContact O-N 2.95Å; I398-Q400 VanDerWaalsContact C-N 3.3Å; I398-Q400 PolarHBondContact O-N 2.97Å; I398-R401 PolarHBondContact O-N 3.29Å; I398-I402 HydrophobicContact CG2-CD1 3.86Å; I398-I402 HydrophobicContact CG2-CG1 4.38Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.26Å; I398-I402 PolarHBondContact O-N 3.17Å
399D94.9Very high91.9Very high16 Ų1684.5 Ų84.59%0.08639%0.391CS..Hα-helixtrans-61.4-37.1175.4-69.3-34.7000111.9R346 V358 R395 E396 E397 K403R346-D399 IonicContact CZ-OD2 2.59Å; R346-D399 IonicContact NH2-OD1 3.8Å; R346-D399 PolarHBondContact NH2-OD1 3.04Å; R346-D399 IonicContact NH2-OD2 3.52Å; R346-D399 PolarHBondContact NH2-OD2 3.35Å; V358-D399 HydrophobicContact CG1-CB 3.77Å; R395-D399 VanDerWaalsContact O-CG 3.28Å; R395-D399 PolarHBondContact O-N 3.46Å; E396-D399 WeakPolarHBondContact O-CB 3.45Å; E396-D399 PolarHBondContact O-N 3.04Å; E397-D399 VanDerWaalsContact C-N 3.27Å; E397-D399 PolarHBondContact O-N 3.33Å; D399-K403 VanDerWaalsContact O-CG 3.25Å; D399-K403 WeakPolarHBondContact O-CG 3.32Å; D399-K403 PolarHBondContact O-N 2.68Å
400Q95.9Very high92.9Very high94 Ų9481 Ų8144%0.43938%0.382SS..Hα-helixtrans-68.4-44.6175-70.9-60.5-2500111.8E396 E397 I398 I402 K403 N404E396-Q400 WeakPolarHBondContact O-CG 3.5Å; E396-Q400 PolarHBondContact O-N 3.31Å; E397-Q400 WeakPolarHBondContact O-CB 3.44Å; E397-Q400 PolarHBondContact O-N 3.27Å; I398-Q400 VanDerWaalsContact C-N 3.3Å; I398-Q400 PolarHBondContact O-N 2.97Å; Q400-I402 VanDerWaalsContact C-N 3.32Å; Q400-I402 PolarHBondContact O-N 3.1Å; Q400-K403 PolarHBondContact O-N 3.36Å; Q400-N404 PolarHBondContact O-N 3.24Å; Q400-N404 PolarHBondContact O-ND2 3.05Å; Q400-N404 PolarHBondContact OE1-ND2 3.4Å
401R96.1Very high93.9Very high47 Ų4782.2 Ų82.218%0.17739%0.391CS..Hα-helixtrans-58.9-44.3176.7-61.2-176.9-171.3176.8-4.6111.6F386 E391 E397 I398 K403 N404 D405F386-R401 HydrophobicContact CB-CB 4.3Å; F386-R401 HydrophobicContact CD1-CB 4.25Å; F386-R401 WeakPolarHBondContact O-CD 3.5Å; F386-R401 PolarHBondContact O-NH1 3.06Å; E391-R401 IonicContact OE1-CZ 3.28Å; E391-R401 IonicContact OE1-NH1 3.74Å; E391-R401 PolarHBondContact OE1-NH1 2.91Å; E391-R401 IonicContact OE1-NH2 3.14Å; E391-R401 PolarHBondContact OE1-NH2 3.22Å; E391-R401 IonicContact OE2-NH1 3.66Å; E391-R401 PolarHBondContact OE2-NH1 3.04Å; E391-R401 VanDerWaalsContact OE2-NH1 3.14Å; E397-R401 WeakPolarHBondContact O-CG 3.44Å; E397-R401 PolarHBondContact O-N 3.11Å; E397-R401 IonicContact OE1-CZ 3.77Å; E397-R401 IonicContact OE1-NE 3.02Å; E397-R401 PolarHBondContact OE1-NE 3.01Å; E397-R401 IonicContact OE1-NH2 3.45Å; I398-R401 PolarHBondContact O-N 3.29Å; R401-K403 PolarHBondContact O-N 2.89Å; R401-N404 PolarHBondContact O-N 2.98Å; R401-D405 HydrophobicContact CB-CB 4.36Å; R401-D405 WeakPolarHBondContact CB-OD2 3.37Å; R401-D405 VanDerWaalsContact CG-OD2 3.23Å; R401-D405 WeakPolarHBondContact CG-OD2 3.25Å; R401-D405 VanDerWaalsContact O-CB 3.29Å; R401-D405 WeakPolarHBondContact O-CB 3.43Å; R401-D405 PolarHBondContact O-N 3.39Å
402I96.3Very high94.5Very high0 Ų084.8 Ų84.80%040%0.401CS..Hα-helixtrans-57.8-35.9176.1-72.1165.5000111.8P355 V358 W370 F386 I398 Q400 K427P355-I402 HydrophobicContact CG-CG2 4Å; V358-I402 HydrophobicContact CG2-CD1 4.49Å; V358-I402 HydrophobicContact CG2-CG2 4.24Å; W370-I402 HydrophobicContact CZ2-CG2 4.02Å; F386-I402 HydrophobicContact CB-CG1 4.13Å; F386-I402 HydrophobicContact CD2-CG1 3.81Å; F386-I402 HydrophobicContact CE2-CG1 4.45Å; F386-I402 HydrophobicContact CG-CG1 3.88Å; I398-I402 HydrophobicContact CG2-CD1 3.86Å; I398-I402 HydrophobicContact CG2-CG1 4.38Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.26Å; I398-I402 PolarHBondContact O-N 3.17Å; Q400-I402 VanDerWaalsContact C-N 3.32Å; Q400-I402 PolarHBondContact O-N 3.1Å; I402-K427 WeakPolarHBondContact O-CD 3.46Å; I402-K427 WeakPolarHBondContact O-CE 3.46Å
403K94.8Very high95.1Very high66 Ų6675 Ų7529%0.28736%0.359SS..Hα-helixtrans-81.1-39.9-177.2-69.5174.5-165-154.30113.1N359 D399 Q400 R401N359-K403 WeakPolarHBondContact OD1-CE 3.08Å; N359-K403 PolarHBondContact OD1-NZ 3.11Å; D399-K403 VanDerWaalsContact O-CG 3.25Å; D399-K403 WeakPolarHBondContact O-CG 3.32Å; D399-K403 PolarHBondContact O-N 2.68Å; Q400-K403 PolarHBondContact O-N 3.36Å; R401-K403 PolarHBondContact O-N 2.89Å
404N95.2Very high95.4Very high109 Ų10975 Ų7558%0.58336%0.36SS*.Hα-helixtrans-114.3-30.9-163-54.1-35.3000113.1Q400 R401Q400-N404 PolarHBondContact O-N 3.24Å; Q400-N404 PolarHBondContact O-ND2 3.05Å; Q400-N404 PolarHBondContact OE1-ND2 3.4Å; R401-N404 PolarHBondContact O-N 2.98Å
405D95.7Very high95.7Very high74 Ų7473 Ų7340%0.39635%0.354SS..PPolyproline II helixtrans-83.6144.9-171.8-61.83.3000110.8R401 K427R401-D405 HydrophobicContact CB-CB 4.36Å; R401-D405 WeakPolarHBondContact CB-OD2 3.37Å; R401-D405 VanDerWaalsContact CG-OD2 3.23Å; R401-D405 WeakPolarHBondContact CG-OD2 3.25Å; R401-D405 VanDerWaalsContact O-CB 3.29Å; R401-D405 WeakPolarHBondContact O-CB 3.43Å; R401-D405 PolarHBondContact O-N 3.39Å; D405-K427 VanDerWaalsContact O-CE 3.22Å; D405-K427 WeakPolarHBondContact O-CE 3.37Å; D405-K427 PolarHBondContact O-NZ 2.99Å
406T95Very high96.1Very high114 Ų11470.6 Ų70.670%0.69935%0.348SS*.PPolyproline II helixtrans-93.2133.2166.7-57.20000108.1
407E95.4Very high96.3Very high15 Ų1565 Ų657%0.0732%0.322CS..PPolyproline II helixtrans-67.5143.3179.468.8-68.6161.200112.3Y377 P385 Y409 R422 L425 K427Y377-E407 HydrophobicContact CD2-CG 4.45Å; Y377-E407 HydrophobicContact CE2-CB 4.23Å; Y377-E407 HydrophobicContact CE2-CG 4.35Å; P385-E407 HydrophobicContact CB-CB 4.07Å; E407-Y409 VanDerWaalsContact CD-OH 3.29Å; E407-Y409 HydrophobicContact CG-CE1 4.33Å; E407-Y409 HydrophobicContact CG-CE2 3.54Å; E407-Y409 VanDerWaalsContact CG-CZ 3.42Å; E407-Y409 WeakPolarHBondContact CG-OH 3.27Å; E407-Y409 WeakPolarHBondContact OE1-CE2 3.43Å; E407-Y409 PolarHBondContact OE1-OH 2.9Å; E407-R422 WeakPolarHBondContact OE1-CG 3.4Å; E407-L425 HydrophobicContact CG-CD1 3.84Å; E407-K427 IonicContact OE2-NZ 2.92Å; E407-K427 PolarHBondContact OE2-NZ 3.14Å
408E95.4Very high96.5Very high151 Ų15162.6 Ų62.671%0.70631%0.311SS*.PPolyproline II helixtrans-99.6140.9-179.9-64.5179.7168.800110.7Y377Y377-E408 WeakPolarHBondContact CE2-O 3.45Å; Y377-E408 VanDerWaalsContact CZ-O 3.27Å; Y377-E408 PolarHBondContact OH-O 2.75Å
409Y97Very high96.7Very high36 Ų3664.6 Ų64.614%0.14133%0.325CS..  trans-117.4126.4-177.5-61.4-91000110.3Y377 E407 F413 K418 C421 R422Y377-Y409 HydrophobicContact CD2-CD1 4.12Å; Y377-Y409 AromaticContact CD2-CE1 3.75Å; Y377-Y409 HydrophobicContact CD2-CE1 3.75Å; Y377-Y409 HydrophobicContact CE2-CD1 4.03Å; Y377-Y409 HydrophobicContact CE2-CE1 4.01Å; E407-Y409 VanDerWaalsContact CD-OH 3.29Å; E407-Y409 HydrophobicContact CG-CE1 4.33Å; E407-Y409 HydrophobicContact CG-CE2 3.54Å; E407-Y409 VanDerWaalsContact CG-CZ 3.42Å; E407-Y409 WeakPolarHBondContact CG-OH 3.27Å; E407-Y409 WeakPolarHBondContact OE1-CE2 3.43Å; E407-Y409 PolarHBondContact OE1-OH 2.9Å; Y409-F413 AromaticContact CD1-CD1 3.79Å; Y409-F413 HydrophobicContact CD1-CD1 3.79Å; Y409-F413 AromaticContact CD1-CD2 3.99Å; Y409-F413 HydrophobicContact CD1-CD2 3.99Å; Y409-F413 AromaticContact CD1-CE1 3.84Å; Y409-F413 HydrophobicContact CD1-CE1 3.84Å; Y409-F413 HydrophobicContact CD1-CE2 4.02Å; Y409-F413 AromaticContact CD1-CG 3.88Å; Y409-F413 HydrophobicContact CD1-CG 3.88Å; Y409-F413 AromaticContact CD1-CZ 3.95Å; Y409-F413 HydrophobicContact CD1-CZ 3.95Å; Y409-F413 HydrophobicContact CE1-CD1 4.29Å; Y409-F413 HydrophobicContact CE1-CE1 4.11Å; Y409-F413 HydrophobicContact CE1-CZ 4.43Å; Y409-K418 HydrophobicContact CD1-CB 4.42Å; Y409-K418 HydrophobicContact CD1-CG 3.95Å; Y409-K418 HydrophobicContact CG-CB 4.49Å; Y409-K418 HydrophobicContact CG-CD 4.43Å; Y409-K418 HydrophobicContact CG-CG 3.88Å; Y409-C421 HydrophobicContact CE1-CB 3.5Å; Y409-C421 WeakPolarHBondContact OH-CB 3.36Å; Y409-R422 HydrophobicContact CE2-CG 3.78Å; Y409-R422 WeakPolarHBondContact OH-CG 3.37Å; Y409-R422 PolarHBondContact OH-N 3.4Å
410S96.3Very high96.9Very high35 Ų3563.9 Ų63.925%0.24532%0.321CS..  trans-76.1177172.2690000112.2Q381 K412 F413Q381-S410 VanDerWaalsContact OE1-CB 3.25Å; Q381-S410 PolarHBondContact OE1-OG 3.48Å; S410-K412 PolarHBondContact O-N 3.37Å; S410-K412 VanDerWaalsContact O-N 3.1Å; S410-K412 WeakPolarHBondContact OG-CB 3.14Å; S410-K412 PolarHBondContact OG-N 2.97Å; S410-F413 PolarHBondContact O-N 3.49Å
411E96.8Very high97Very high192 Ų19259.4 Ų59.490%0.89730%0.3SS*.THydrogen-bonded Turntrans-61-9.7171.865.4-148.2-170.700114.6F413E411-F413 PolarHBondContact O-N 2.97Å
412K96.9Very high97.1Very high103 Ų10363.1 Ų63.145%0.44831%0.314SS..THydrogen-bonded Turntrans-67.9-18.3175.4-65.6-173178.1-177.60114.1P282 I380 Q381 S410P282-K412 PolarHBondContact O-NZ 3.11Å; I380-K412 HydrophobicContact CG2-CB 3.9Å; I380-K412 WeakPolarHBondContact O-CD 3.49Å; Q381-K412 PolarHBondContact O-NZ 3.34Å; S410-K412 PolarHBondContact O-N 3.37Å; S410-K412 VanDerWaalsContact O-N 3.1Å; S410-K412 WeakPolarHBondContact OG-CB 3.14Å; S410-K412 PolarHBondContact OG-N 2.97Å
413F98.4Very high97.2Very high8 Ų865.5 Ų65.54%0.03533%0.326CS..SBendtrans-98.1130.2-176.9-68-103.6000111.7Y377 I380 Q381 Y409 S410 E411 A417 K418Y377-F413 HydrophobicContact CD2-CE1 4.43Å; Y377-F413 AromaticContact CD2-CZ 3.88Å; Y377-F413 HydrophobicContact CD2-CZ 3.88Å; Y377-F413 HydrophobicContact CE2-CZ 4.21Å; Y377-F413 HydrophobicContact CG-CZ 4.17Å; I380-F413 HydrophobicContact CB-CD1 4.23Å; I380-F413 HydrophobicContact CB-CE1 3.74Å; I380-F413 HydrophobicContact CB-CE2 4.19Å; I380-F413 HydrophobicContact CB-CZ 3.72Å; I380-F413 HydrophobicContact CD1-CD1 3.83Å; I380-F413 HydrophobicContact CD1-CE1 3.75Å; I380-F413 HydrophobicContact CG1-CE1 4.31Å; I380-F413 HydrophobicContact CG2-CD1 3.87Å; I380-F413 HydrophobicContact CG2-CD2 3.82Å; I380-F413 HydrophobicContact CG2-CE1 3.83Å; I380-F413 HydrophobicContact CG2-CE2 3.76Å; I380-F413 HydrophobicContact CG2-CG 3.86Å; I380-F413 HydrophobicContact CG2-CZ 3.78Å; Q381-F413 HydrophobicContact CB-CE2 3.85Å; Q381-F413 HydrophobicContact CB-CZ 3.98Å; Q381-F413 VanDerWaalsContact OE1-CE2 3.32Å; Y409-F413 AromaticContact CD1-CD1 3.79Å; Y409-F413 HydrophobicContact CD1-CD1 3.79Å; Y409-F413 AromaticContact CD1-CD2 3.99Å; Y409-F413 HydrophobicContact CD1-CD2 3.99Å; Y409-F413 AromaticContact CD1-CE1 3.84Å; Y409-F413 HydrophobicContact CD1-CE1 3.84Å; Y409-F413 HydrophobicContact CD1-CE2 4.02Å; Y409-F413 AromaticContact CD1-CG 3.88Å; Y409-F413 HydrophobicContact CD1-CG 3.88Å; Y409-F413 AromaticContact CD1-CZ 3.95Å; Y409-F413 HydrophobicContact CD1-CZ 3.95Å; Y409-F413 HydrophobicContact CE1-CD1 4.29Å; Y409-F413 HydrophobicContact CE1-CE1 4.11Å; Y409-F413 HydrophobicContact CE1-CZ 4.43Å; S410-F413 PolarHBondContact O-N 3.49Å; E411-F413 PolarHBondContact O-N 2.97Å; F413-A417 HydrophobicContact CB-CB 4.33Å; F413-A417 HydrophobicContact CD1-CB 3.93Å; F413-K418 HydrophobicContact CB-CD 4.33Å; F413-K418 HydrophobicContact CB-CG 3.53Å; F413-K418 HydrophobicContact CG-CG 4.26Å; F413-K418 VanDerWaalsContact O-CE 3.29Å; F413-K418 WeakPolarHBondContact O-CE 3.36Å
414S98.4Very high97.4Very high40 Ų4062.4 Ų62.428%0.2831%0.312SS..  trans-64.7165160.376.80000111.7E286 D416 A417 K418E286-S414 VanDerWaalsContact OE1-CB 3.25Å; E286-S414 WeakPolarHBondContact OE1-CB 3.48Å; E286-S414 PolarHBondContact OE1-OG 3.07Å; E286-S414 VanDerWaalsContact OE2-CB 3.27Å; E286-S414 WeakPolarHBondContact OE2-CB 3.34Å; E286-S414 PolarHBondContact OE2-N 3.36Å; E286-S414 PolarHBondContact OE2-OG 3.44Å; E286-S414 VanDerWaalsContact OE2-OG 3.1Å; S414-D416 VanDerWaalsContact C-N 3.28Å; S414-D416 PolarHBondContact O-N 3.28Å; S414-D416 PolarHBondContact OG-N 2.82Å; S414-A417 PolarHBondContact O-N 2.93Å; S414-A417 WeakPolarHBondContact OG-CB 3.5Å; S414-A417 PolarHBondContact OG-N 3.1Å; S414-K418 WeakPolarHBondContact O-CG 2.95Å; S414-K418 PolarHBondContact O-N 3.31Å
415E98.4Very high97.6Very high124 Ų12457.3 Ų57.358%0.57929%0.285SS*.Hα-helixtrans-63.5-35.7175.4-65.9-53.2124.400112.2K418 S419E415-K418 PolarHBondContact O-N 3.3Å; E415-K418 IonicContact OE1-NZ 2.77Å; E415-K418 PolarHBondContact OE1-NZ 2.91Å; E415-S419 VanDerWaalsContact O-CB 3.25Å; E415-S419 WeakPolarHBondContact O-CB 3.18Å; E415-S419 PolarHBondContact O-N 2.79Å
416D98.5Very high97.7Very high50 Ų5055.6 Ų55.627%0.26728%0.277SS..Hα-helixtrans-64.3-42.2173.9-73.3-21.4000110.8S414 S419 I420 H446 V448 K450S414-D416 VanDerWaalsContact C-N 3.28Å; S414-D416 PolarHBondContact O-N 3.28Å; S414-D416 PolarHBondContact OG-N 2.82Å; D416-S419 WeakPolarHBondContact O-CB 3.45Å; D416-S419 PolarHBondContact O-N 3.42Å; D416-I420 PolarHBondContact O-N 3.17Å; D416-H446 PolarHBondContact O-CE1 2.91Å; D416-H446 VanDerWaalsContact O-CE1 3.26Å; D416-V448 HydrophobicContact CB-CB 4.15Å; D416-V448 HydrophobicContact CB-CG2 4.31Å; D416-K450 IonicContact OD2-NZ 3.57Å; D416-K450 PolarHBondContact OD2-NZ 3.19Å
417A98.6Very high97.8Very high1 Ų152.6 Ų52.61%0.00826%0.255CS..Hα-helixtrans-68.6-38.2177.700000113.1E286 I380 F413 S414 I420 C421E286-A417 HydrophobicContact CG-CB 4.29Å; E286-A417 WeakPolarHBondContact OE2-CB 3.19Å; I380-A417 HydrophobicContact CD1-CB 3.93Å; F413-A417 HydrophobicContact CB-CB 4.33Å; F413-A417 HydrophobicContact CD1-CB 3.93Å; S414-A417 PolarHBondContact O-N 2.93Å; S414-A417 WeakPolarHBondContact OG-CB 3.5Å; S414-A417 PolarHBondContact OG-N 3.1Å; A417-I420 VanDerWaalsContact O-CG2 3.28Å; A417-I420 WeakPolarHBondContact O-CG2 3.36Å; A417-C421 WeakPolarHBondContact O-CB 3.49Å; A417-C421 PolarHBondContact O-N 3.47Å; A417-C421 PolarHBondContact O-SG 3.39Å; A417-C421 VanDerWaalsContact O-SG 3.37Å
418K98.6Very high97.9Very high36 Ų3655.4 Ų55.416%0.15727%0.27CS..Hα-helixtrans-63.7-43.6171.1-67.3177-164.6156.70110.9Y409 F413 S414 E415 C421 R422Y409-K418 HydrophobicContact CD1-CB 4.42Å; Y409-K418 HydrophobicContact CD1-CG 3.95Å; Y409-K418 HydrophobicContact CG-CB 4.49Å; Y409-K418 HydrophobicContact CG-CD 4.43Å; Y409-K418 HydrophobicContact CG-CG 3.88Å; F413-K418 HydrophobicContact CB-CD 4.33Å; F413-K418 HydrophobicContact CB-CG 3.53Å; F413-K418 HydrophobicContact CG-CG 4.26Å; F413-K418 VanDerWaalsContact O-CE 3.29Å; F413-K418 WeakPolarHBondContact O-CE 3.36Å; S414-K418 WeakPolarHBondContact O-CG 2.95Å; S414-K418 PolarHBondContact O-N 3.31Å; E415-K418 PolarHBondContact O-N 3.3Å; E415-K418 IonicContact OE1-NZ 2.77Å; E415-K418 PolarHBondContact OE1-NZ 2.91Å; K418-C421 PolarHBondContact O-N 3.34Å; K418-R422 WeakPolarHBondContact O-CG 3.28Å; K418-R422 PolarHBondContact O-N 2.91Å
419S98.6Very high98Very high46 Ų4649.8 Ų49.832%0.32225%0.247SC..Hα-helixtrans-58.9-53.4-179.21790000111.5E415 D416 C421 R422 M423 H446E415-S419 VanDerWaalsContact O-CB 3.25Å; E415-S419 WeakPolarHBondContact O-CB 3.18Å; E415-S419 PolarHBondContact O-N 2.79Å; D416-S419 WeakPolarHBondContact O-CB 3.45Å; D416-S419 PolarHBondContact O-N 3.42Å; S419-C421 VanDerWaalsContact C-N 3.33Å; S419-C421 PolarHBondContact O-N 3.22Å; S419-R422 PolarHBondContact O-N 3.03Å; S419-M423 WeakPolarHBondContact O-CB 3.41Å; S419-M423 VanDerWaalsContact O-CG 3.27Å; S419-M423 WeakPolarHBondContact O-CG 3.5Å; S419-M423 PolarHBondContact O-N 3.19Å; S419-H446 PolarHBondContact OG-NE2 3.41Å; S419-H446 VanDerWaalsContact OG-NE2 3.08Å
420I98.6Very high97.9Very high1 Ų152.1 Ų52.11%0.00527%0.268CS..Hα-helixtrans-61.1-42.7-178.7-171.771000111.6I376 D416 A417 M423 L424 L433 H446 V448 F449I376-I420 HydrophobicContact CD1-CG1 4.25Å; I376-I420 HydrophobicContact CD1-CG2 4.49Å; I376-I420 HydrophobicContact CG2-CG2 4.44Å; D416-I420 PolarHBondContact O-N 3.17Å; A417-I420 VanDerWaalsContact O-CG2 3.28Å; A417-I420 WeakPolarHBondContact O-CG2 3.36Å; I420-M423 PolarHBondContact O-N 3.26Å; I420-L424 HydrophobicContact CD1-CD1 4.2Å; I420-L424 HydrophobicContact CD1-CG 4.41Å; I420-L424 HydrophobicContact CG1-CD1 3.81Å; I420-L424 HydrophobicContact CG1-CG 4.38Å; I420-L424 WeakPolarHBondContact O-CB 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.22Å; I420-L424 PolarHBondContact O-N 3.17Å; I420-L433 HydrophobicContact CD1-CD2 3.44Å; I420-L433 VanDerWaalsContact CD1-CD2 3.44Å; I420-H446 HydrophobicContact CD1-CB 3.68Å; I420-H446 VanDerWaalsContact CD1-CG 3.45Å; I420-H446 PolarHBondContact N-NE2 3.41Å; I420-V448 HydrophobicContact CB-CG1 4.1Å; I420-V448 HydrophobicContact CG1-CG1 4.19Å; I420-V448 HydrophobicContact CG2-CB 4.39Å; I420-V448 HydrophobicContact CG2-CG1 4.13Å; I420-V448 HydrophobicContact CG2-CG2 4.35Å; I420-F449 HydrophobicContact CD1-CE2 4.41Å
421C98.6Very high97.9Very high0 Ų056.8 Ų56.80%028%0.284CS..Hα-helixtrans-61.1-48.4177.9-76.10000111.5I376 Y409 A417 K418 S419 M423 L424 L425I376-C421 WeakPolarHBondContact CG2-SG 3.44Å; Y409-C421 HydrophobicContact CE1-CB 3.5Å; Y409-C421 WeakPolarHBondContact OH-CB 3.36Å; A417-C421 WeakPolarHBondContact O-CB 3.49Å; A417-C421 PolarHBondContact O-N 3.47Å; A417-C421 PolarHBondContact O-SG 3.39Å; A417-C421 VanDerWaalsContact O-SG 3.37Å; K418-C421 PolarHBondContact O-N 3.34Å; S419-C421 VanDerWaalsContact C-N 3.33Å; S419-C421 PolarHBondContact O-N 3.22Å; C421-M423 VanDerWaalsContact C-N 3.3Å; C421-M423 PolarHBondContact O-N 3.37Å; C421-L424 PolarHBondContact O-N 2.93Å; C421-L425 WeakPolarHBondContact O-CB 3.49Å; C421-L425 WeakPolarHBondContact O-CG 3.44Å; C421-L425 PolarHBondContact O-N 3.43Å
422R98.4Very high98Very high125 Ų12547.7 Ų47.747%0.47224%0.242SC..Hα-helixtrans-59.9-40.3177.4-73.4173.9178.6153.5-0.9112.2E407 Y409 K418 S419 L425 T426E407-R422 WeakPolarHBondContact OE1-CG 3.4Å; Y409-R422 HydrophobicContact CE2-CG 3.78Å; Y409-R422 WeakPolarHBondContact OH-CG 3.37Å; Y409-R422 PolarHBondContact OH-N 3.4Å; K418-R422 WeakPolarHBondContact O-CG 3.28Å; K418-R422 PolarHBondContact O-N 2.91Å; S419-R422 PolarHBondContact O-N 3.03Å; R422-L425 CarbonylContact O-C 3.39Å; R422-T426 PolarHBondContact O-N 3.02Å; R422-T426 VanDerWaalsContact O-N 3.09Å; R422-T426 PolarHBondContact O-OG1 2.86Å
423M98.4Very high98Very high50 Ų5043.2 Ų43.225%0.24622%0.223CC..Hα-helixtrans-68.6-35.9179.8-70.5179.475.800112.7S419 I420 C421 T426 L433S419-M423 WeakPolarHBondContact O-CB 3.41Å; S419-M423 VanDerWaalsContact O-CG 3.27Å; S419-M423 WeakPolarHBondContact O-CG 3.5Å; S419-M423 PolarHBondContact O-N 3.19Å; I420-M423 PolarHBondContact O-N 3.26Å; C421-M423 VanDerWaalsContact C-N 3.3Å; C421-M423 PolarHBondContact O-N 3.37Å; M423-T426 PolarHBondContact O-OG1 3.02Å; M423-L433 HydrophobicContact CB-CB 3.92Å; M423-L433 HydrophobicContact CB-CD2 4.12Å; M423-L433 HydrophobicContact CE-CB 4.44Å; M423-L433 HydrophobicContact CE-CD1 3.96Å; M423-L433 HydrophobicContact CE-CD2 4.11Å; M423-L433 HydrophobicContact CE-CG 4.39Å; M423-L433 PolarHBondContact O-N 2.7Å; M423-L433 HydrophobicContact SD-CD2 4.49Å
424L98.6Very high97.9Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-81.1-33.9175.3-69.2171.2000112.8W369 L372 I376 I420 C421 T426 R432 L433W369-L424 HydrophobicContact CB-CD2 4.15Å; W369-L424 HydrophobicContact CE3-CD2 4.47Å; L372-L424 HydrophobicContact CB-CD1 4.41Å; L372-L424 HydrophobicContact CD2-CD1 4.13Å; L372-L424 HydrophobicContact CG-CD1 4.02Å; I376-L424 HydrophobicContact CD1-CD1 3.72Å; I420-L424 HydrophobicContact CD1-CD1 4.2Å; I420-L424 HydrophobicContact CD1-CG 4.41Å; I420-L424 HydrophobicContact CG1-CD1 3.81Å; I420-L424 HydrophobicContact CG1-CG 4.38Å; I420-L424 WeakPolarHBondContact O-CB 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.22Å; I420-L424 PolarHBondContact O-N 3.17Å; C421-L424 PolarHBondContact O-N 2.93Å; L424-T426 PolarHBondContact O-N 2.98Å; L424-R432 WeakPolarHBondContact O-CD 3.24Å; L424-R432 WeakPolarHBondContact O-CG 3Å; L424-R432 PolarHBondContact O-NE 3.32Å; L424-L433 HydrophobicContact CD2-CB 4.15Å; L424-L433 HydrophobicContact CD2-CD2 4.47Å
425L98.6Very high97.7Very high2 Ų243.3 Ų43.31%0.0123%0.225CC..SBendtrans-88.416.9176.6-63.5174.9000112.8W370 P385 E407 C421 R422 K427W370-L425 HydrophobicContact CD2-CD2 3.92Å; W370-L425 HydrophobicContact CE3-CB 4.47Å; W370-L425 HydrophobicContact CE3-CD2 3.93Å; W370-L425 HydrophobicContact CH2-CD2 4.11Å; W370-L425 HydrophobicContact CZ2-CD2 4.1Å; W370-L425 HydrophobicContact CZ3-CB 4.12Å; W370-L425 HydrophobicContact CZ3-CD2 4.03Å; W370-L425 WeakPolarHBondContact CZ3-O 3.45Å; P385-L425 HydrophobicContact CB-CD1 4.47Å; E407-L425 HydrophobicContact CG-CD1 3.84Å; C421-L425 WeakPolarHBondContact O-CB 3.49Å; C421-L425 WeakPolarHBondContact O-CG 3.44Å; C421-L425 PolarHBondContact O-N 3.43Å; R422-L425 CarbonylContact O-C 3.39Å; L425-K427 PolarHBondContact O-N 2.82Å; L425-K427 PolarHBondContact O-NZ 3.41Å; L425-K427 VanDerWaalsContact O-NZ 3.08Å
426T98.3Very high96.8Very high39 Ų3943.3 Ų43.324%0.23922%0.219CC..  trans-63.3120.6169.7-67.70000109.3R422 M423 L424 N428 K431 R432R422-T426 PolarHBondContact O-N 3.02Å; R422-T426 VanDerWaalsContact O-N 3.09Å; R422-T426 PolarHBondContact O-OG1 2.86Å; M423-T426 PolarHBondContact O-OG1 3.02Å; L424-T426 PolarHBondContact O-N 2.98Å; T426-N428 PolarHBondContact O-N 3.31Å; T426-K431 HydrophobicContact CG2-CB 3.86Å; T426-R432 PolarHBondContact O-NE 3.37Å; T426-R432 PolarHBondContact O-NH2 3.36Å; T426-R432 VanDerWaalsContact O-NH2 3.17Å
427K97.9Very high95.8Very high51 Ų5145.3 Ų45.322%0.22225%0.252CS..SBendtrans-64.5-40.2-171.7-54.4-66.7179.8-76.80112.3P355 W370 I402 D405 E407 L425 P429 R432P355-K427 HydrophobicContact CG-CB 4.23Å; P355-K427 HydrophobicContact CG-CD 3.75Å; W370-K427 HydrophobicContact CH2-CD 3.62Å; W370-K427 HydrophobicContact CZ3-CD 3.74Å; I402-K427 WeakPolarHBondContact O-CD 3.46Å; I402-K427 WeakPolarHBondContact O-CE 3.46Å; D405-K427 VanDerWaalsContact O-CE 3.22Å; D405-K427 WeakPolarHBondContact O-CE 3.37Å; D405-K427 PolarHBondContact O-NZ 2.99Å; E407-K427 IonicContact OE2-NZ 2.92Å; E407-K427 PolarHBondContact OE2-NZ 3.14Å; L425-K427 PolarHBondContact O-N 2.82Å; L425-K427 PolarHBondContact O-NZ 3.41Å; L425-K427 VanDerWaalsContact O-NZ 3.08Å; K427-P429 WeakPolarHBondContact O-CD 3.45Å; K427-R432 PolarHBondContact O-NH2 3.42Å; K427-R432 VanDerWaalsContact O-NH2 3.14Å
428N97.2Very high95.1Very high74 Ų7451 Ų5140%0.39628%0.279SS..SBendtrans-75.5115.2174.8-176.4-19.7000110.8T426 S430 K431 R432T426-N428 PolarHBondContact O-N 3.31Å; N428-S430 VanDerWaalsContact C-N 3.28Å; N428-S430 PolarHBondContact O-N 2.94Å; N428-S430 PolarHBondContact OD1-N 3.28Å; N428-S430 PolarHBondContact OD1-OG 2.87Å; N428-K431 PolarHBondContact O-N 2.72Å; N428-K431 VanDerWaalsContact O-N 3.13Å; N428-R432 PolarHBondContact O-N 3.28Å
429P96.8Very high94.8Very high32 Ų3250.3 Ų50.321%0.20828%0.282CS..THydrogen-bonded Turntrans-62.3-30-175.725.1-34.5000113.6E356 K427 K431 R432 C435E356-P429 HydrophobicContact CB-CG 4.36Å; E356-P429 HydrophobicContact CG-CG 4.47Å; K427-P429 WeakPolarHBondContact O-CD 3.45Å; P429-K431 PolarHBondContact O-N 2.67Å; P429-R432 WeakPolarHBondContact O-CB 3.4Å; P429-R432 PolarHBondContact O-N 2.77Å; P429-C435 WeakPolarHBondContact O-CB 3.3Å
430S95.3Very high94.7Very high86 Ų8648.4 Ų48.460%0.60127%0.269SS*.THydrogen-bonded Turntrans-72.2-18.6179.868.20000113.7N428N428-S430 VanDerWaalsContact C-N 3.28Å; N428-S430 PolarHBondContact O-N 2.94Å; N428-S430 PolarHBondContact OD1-N 3.28Å; N428-S430 PolarHBondContact OD1-OG 2.87Å
431K96.6Very high94.5Very high133 Ų13350.4 Ų50.458%0.57829%0.286SS*.THydrogen-bonded Turntrans-99.8-14.2177-63.5-173.4178.9-175.80113T426 N428 P429 R436T426-K431 HydrophobicContact CG2-CB 3.86Å; N428-K431 PolarHBondContact O-N 2.72Å; N428-K431 VanDerWaalsContact O-N 3.13Å; P429-K431 PolarHBondContact O-N 2.67Å; K431-R436 PolarHBondContact O-NE 2.92Å; K431-R436 VanDerWaalsContact O-NE 3.1Å; K431-R436 PolarHBondContact O-NH2 2.9Å
432R98.2Very high94.4Very high0 Ų050.8 Ų50.80%029%0.29CS..SBendtrans-65.3138.3-177.5-168.3-179.5-62.6148.67.9111.3E356 S366 L424 T426 K427 N428 P429 C435E356-R432 IonicContact OE1-CZ 3.5Å; E356-R432 IonicContact OE1-NH1 3.19Å; E356-R432 PolarHBondContact OE1-NH1 3.21Å; E356-R432 IonicContact OE1-NH2 3.55Å; E356-R432 IonicContact OE2-CZ 3.37Å; E356-R432 IonicContact OE2-NH1 2.72Å; E356-R432 PolarHBondContact OE2-NH1 3.35Å; E356-R432 IonicContact OE2-NH2 2.68Å; E356-R432 PolarHBondContact OE2-NH2 3.08Å; S366-R432 PolarHBondContact O-NH1 3.11Å; L424-R432 WeakPolarHBondContact O-CD 3.24Å; L424-R432 WeakPolarHBondContact O-CG 3Å; L424-R432 PolarHBondContact O-NE 3.32Å; T426-R432 PolarHBondContact O-NE 3.37Å; T426-R432 PolarHBondContact O-NH2 3.36Å; T426-R432 VanDerWaalsContact O-NH2 3.17Å; K427-R432 PolarHBondContact O-NH2 3.42Å; K427-R432 VanDerWaalsContact O-NH2 3.14Å; N428-R432 PolarHBondContact O-N 3.28Å; P429-R432 WeakPolarHBondContact O-CB 3.4Å; P429-R432 PolarHBondContact O-N 2.77Å; R432-C435 HydrophobicContact CB-CB 4.4Å; R432-C435 WeakPolarHBondContact O-CB 3.05Å; R432-C435 PolarHBondContact O-N 2.66Å
433L97.9Very high94.3Very high9 Ų944.9 Ų44.95%0.04727%0.267CS..THydrogen-bonded Turntrans-61.9143.2174-174.266000110.2I420 M423 L424 C435 V443I420-L433 HydrophobicContact CD1-CD2 3.44Å; I420-L433 VanDerWaalsContact CD1-CD2 3.44Å; M423-L433 HydrophobicContact CB-CB 3.92Å; M423-L433 HydrophobicContact CB-CD2 4.12Å; M423-L433 HydrophobicContact CE-CB 4.44Å; M423-L433 HydrophobicContact CE-CD1 3.96Å; M423-L433 HydrophobicContact CE-CD2 4.11Å; M423-L433 HydrophobicContact CE-CG 4.39Å; M423-L433 PolarHBondContact O-N 2.7Å; M423-L433 HydrophobicContact SD-CD2 4.49Å; L424-L433 HydrophobicContact CD2-CB 4.15Å; L424-L433 HydrophobicContact CD2-CD2 4.47Å; L433-C435 PolarHBondContact O-N 2.92Å; L433-V443 HydrophobicContact CD2-CG2 4.36Å; L433-V443 HydrophobicContact CG-CG2 3.94Å
434G95.8Very high94.3Very high7 Ų744 Ų447%0.07226%0.262CS..THydrogen-bonded Turntrans84.1-19.2-171.500000114.8W369 G439W369-G434 VanDerWaalsContact NE1-C 3.3Å; W369-G434 PolarHBondContact NE1-O 2.81Å; G434-G439 WeakPolarHBondContact CA-O 3.41Å; G434-G439 WeakPolarHBondContact O-CA 3.47Å
435C93.9Very high94.2Very high43 Ų4350.8 Ų50.829%0.29129%0.294SS..SBendtrans-98.3-8.5176-54.70000113.5S366 P429 R432 L433S366-C435 WeakPolarHBondContact CA-SG 3.31Å; S366-C435 WeakPolarHBondContact CB-SG 3.49Å; P429-C435 WeakPolarHBondContact O-CB 3.3Å; R432-C435 HydrophobicContact CB-CB 4.4Å; R432-C435 WeakPolarHBondContact O-CB 3.05Å; R432-C435 PolarHBondContact O-N 2.66Å; L433-C435 PolarHBondContact O-N 2.92Å
436R80.4Confident94.1Very high124 Ų12451.4 Ų51.447%0.46830%0.296SS..SBendtrans-74.9172.5175.1-57179.8-172.6-176.51.2109.7K431 E438 G439K431-R436 PolarHBondContact O-NE 2.92Å; K431-R436 VanDerWaalsContact O-NE 3.1Å; K431-R436 PolarHBondContact O-NH2 2.9Å; R436-E438 PolarHBondContact O-N 3.38Å; R436-G439 PolarHBondContact O-N 2.95Å
437G76.5Confident94.1Very high93 Ų9352.7 Ų52.796%0.95931%0.306SS*.THydrogen-bonded Turntrans-55.2-19.7-17700000115.7
438E84.4Confident94.2Very high120 Ų12051.1 Ų51.156%0.56130%0.3SS*.THydrogen-bonded Turntrans-87.4-11-179.5-63.5168.4-175.900114.3R436 A440 A441 G442R436-E438 PolarHBondContact O-N 3.38Å; E438-A440 PolarHBondContact O-N 3.34Å; E438-A441 VanDerWaalsContact O-CB 3.31Å; E438-A441 WeakPolarHBondContact O-CB 3.4Å; E438-A441 PolarHBondContact O-N 3Å; E438-G442 PolarHBondContact O-N 2.66Å; E438-G442 WeakPolarHBondContact OE2-CA 3.35Å
439G92Very high94.2Very high21 Ų2147.9 Ų47.922%0.21628%0.283CS..Hα-helixtrans53.9-135.2178.600000113.8G434 R436 A441 G442G434-G439 WeakPolarHBondContact CA-O 3.41Å; G434-G439 WeakPolarHBondContact O-CA 3.47Å; R436-G439 PolarHBondContact O-N 2.95Å; G439-A441 PolarHBondContact O-N 3.11Å; G439-G442 PolarHBondContact O-N 2.88Å
440A95.6Very high94.1Very high6 Ų653.3 Ų53.35%0.0530%0.303CS..Hα-helixtrans-61-30176.400000113.2E301 W369 E438 G442 V443 K444E301-A440 HydrophobicContact CB-CB 3.76Å; E301-A440 HydrophobicContact CG-CB 3.69Å; W369-A440 HydrophobicContact CH2-CB 3.72Å; W369-A440 HydrophobicContact CZ2-CB 3.9Å; E438-A440 PolarHBondContact O-N 3.34Å; A440-G442 VanDerWaalsContact C-N 3.32Å; A440-G442 PolarHBondContact O-N 3.13Å; A440-V443 WeakPolarHBondContact O-CB 3.41Å; A440-V443 PolarHBondContact O-N 3.01Å; A440-K444 WeakPolarHBondContact O-CG 3.38Å; A440-K444 PolarHBondContact O-N 3.23Å
441A94.9Very high94Very high44 Ų4456.1 Ų56.136%0.36431%0.311SS..Hα-helixtrans-61.2-41.5179.900000111.6E438 G439 V443 K444 Q445E438-A441 VanDerWaalsContact O-CB 3.31Å; E438-A441 WeakPolarHBondContact O-CB 3.4Å; E438-A441 PolarHBondContact O-N 3Å; G439-A441 PolarHBondContact O-N 3.11Å; A441-V443 VanDerWaalsContact C-N 3.29Å; A441-V443 PolarHBondContact O-N 3.11Å; A441-K444 PolarHBondContact O-N 3.41Å; A441-Q445 VanDerWaalsContact O-CG 3.29Å; A441-Q445 WeakPolarHBondContact O-CG 3.48Å; A441-Q445 PolarHBondContact O-N 2.8Å
442G95.8Very high93.9Very high8 Ų851.4 Ų51.48%0.08229%0.292CS..Hα-helixtrans-65.1-31.3175.200000113E438 G439 A440E438-G442 PolarHBondContact O-N 2.66Å; E438-G442 WeakPolarHBondContact OE2-CA 3.35Å; G439-G442 PolarHBondContact O-N 2.88Å; A440-G442 VanDerWaalsContact C-N 3.32Å; A440-G442 PolarHBondContact O-N 3.13Å
443V97.9Very high93.6Very high0 Ų053 Ų530%030%0.301CS..Hα-helixtrans-69-47.2173.3-177.90000110.4W369 L372 L433 A440 A441 Q445 H446 F449W369-V443 HydrophobicContact CD2-CG2 4.35Å; W369-V443 HydrophobicContact CE3-CG2 3.94Å; W369-V443 HydrophobicContact CH2-CG2 4.12Å; W369-V443 HydrophobicContact CZ2-CG2 4.48Å; W369-V443 HydrophobicContact CZ3-CB 4.34Å; W369-V443 HydrophobicContact CZ3-CG1 4.27Å; W369-V443 HydrophobicContact CZ3-CG2 3.82Å; L372-V443 HydrophobicContact CD2-CG1 4.33Å; L433-V443 HydrophobicContact CD2-CG2 4.36Å; L433-V443 HydrophobicContact CG-CG2 3.94Å; A440-V443 WeakPolarHBondContact O-CB 3.41Å; A440-V443 PolarHBondContact O-N 3.01Å; A441-V443 VanDerWaalsContact C-N 3.29Å; A441-V443 PolarHBondContact O-N 3.11Å; V443-Q445 PolarHBondContact O-N 2.68Å; V443-H446 WeakPolarHBondContact O-CB 3.48Å; V443-H446 PolarHBondContact O-N 3.47Å; V443-H446 VanDerWaalsContact O-N 3.16Å; V443-F449 HydrophobicContact CG1-CE2 4.15Å; V443-F449 VanDerWaalsContact O-CD2 3.31Å; V443-F449 WeakPolarHBondContact O-CD2 3.3Å; V443-F449 WeakPolarHBondContact O-CE2 3.18Å
444K97.4Very high93.4Very high33 Ų3353.8 Ų53.814%0.14330%0.304CS..Hα-helixtrans-63.1-27.8-179.8-67.4-176.4178.1177.10113.3E301 A440 A441 H446 F454 E458E301-K444 IonicContact OE1-NZ 3.64Å; E301-K444 WeakPolarHBondContact OE2-CE 3.45Å; E301-K444 IonicContact OE2-NZ 3.32Å; E301-K444 PolarHBondContact OE2-NZ 3.26Å; A440-K444 WeakPolarHBondContact O-CG 3.38Å; A440-K444 PolarHBondContact O-N 3.23Å; A441-K444 PolarHBondContact O-N 3.41Å; K444-H446 VanDerWaalsContact C-N 3.32Å; K444-F454 HydrophobicContact CB-CD2 3.87Å; K444-F454 HydrophobicContact CB-CE1 4.38Å; K444-F454 HydrophobicContact CB-CE2 3.61Å; K444-F454 HydrophobicContact CB-CG 4.36Å; K444-F454 HydrophobicContact CB-CZ 3.89Å; K444-F454 HydrophobicContact CD-CB 4.26Å; K444-F454 HydrophobicContact CD-CD1 3.7Å; K444-F454 HydrophobicContact CD-CD2 4.15Å; K444-F454 HydrophobicContact CD-CE1 4.02Å; K444-F454 HydrophobicContact CD-CE2 4.43Å; K444-F454 HydrophobicContact CD-CG 3.76Å; K444-F454 HydrophobicContact CD-CZ 4.38Å; K444-F454 HydrophobicContact CG-CD1 3.86Å; K444-F454 HydrophobicContact CG-CD2 4.03Å; K444-F454 HydrophobicContact CG-CE1 3.65Å; K444-F454 HydrophobicContact CG-CE2 3.82Å; K444-F454 HydrophobicContact CG-CG 4.05Å; K444-F454 HydrophobicContact CG-CZ 3.63Å; K444-F454 WeakPolarHBondContact O-CE2 3.49Å; K444-E458 IonicContact NZ-OE1 3.96Å; K444-E458 PolarHBondContact NZ-OE1 3.11Å
445Q96.2Very high93.1Very high142 Ų14258.3 Ų58.366%0.66432%0.319SS*.THydrogen-bonded Turntrans-79.9-8.5178-73173.31400114.2A441 V443A441-Q445 VanDerWaalsContact O-CG 3.29Å; A441-Q445 WeakPolarHBondContact O-CG 3.48Å; A441-Q445 PolarHBondContact O-N 2.8Å; V443-Q445 PolarHBondContact O-N 2.68Å
446H98.1Very high93Very high14 Ų1459.3 Ų59.37%0.06532%0.316CS..SBendtrans-62.7138.6-178.9-173.4-83.7000111.4D416 S419 I420 V443 K444 V448 F449D416-H446 PolarHBondContact O-CE1 2.91Å; D416-H446 VanDerWaalsContact O-CE1 3.26Å; S419-H446 PolarHBondContact OG-NE2 3.41Å; S419-H446 VanDerWaalsContact OG-NE2 3.08Å; I420-H446 HydrophobicContact CD1-CB 3.68Å; I420-H446 VanDerWaalsContact CD1-CG 3.45Å; I420-H446 PolarHBondContact N-NE2 3.41Å; V443-H446 WeakPolarHBondContact O-CB 3.48Å; V443-H446 PolarHBondContact O-N 3.47Å; V443-H446 VanDerWaalsContact O-N 3.16Å; K444-H446 VanDerWaalsContact C-N 3.32Å; H446-V448 HydrophobicContact CB-CG1 4.39Å; H446-V448 WeakPolarHBondContact ND1-CB 3.41Å; H446-V448 VanDerWaalsContact ND1-CG1 3.29Å; H446-V448 WeakPolarHBondContact ND1-CG1 2.87Å; H446-V448 PolarHBondContact ND1-N 3.3Å; H446-V448 VanDerWaalsContact ND1-N 3.18Å; H446-V448 PolarHBondContact O-N 2.93Å; H446-F449 HydrophobicContact CB-CD2 4.33Å; H446-F449 PolarHBondContact O-N 2.94Å
447P98.3Very high93.8Very high67 Ų6753.5 Ų53.544%0.43529%0.294SS..G310 helixtrans-54.1-26.8-175.4-31.136.5000116.2F449 K450P447-F449 PolarHBondContact O-N 3.12Å; P447-F449 VanDerWaalsContact O-N 3.14Å; P447-K450 VanDerWaalsContact O-CB 3.26Å; P447-K450 WeakPolarHBondContact O-CB 3.45Å; P447-K450 WeakPolarHBondContact O-CD 3.46Å; P447-K450 VanDerWaalsContact O-CG 3.25Å; P447-K450 WeakPolarHBondContact O-CG 3.48Å; P447-K450 PolarHBondContact O-N 2.7Å
448V98.4Very high94.6Very high18 Ų1851.2 Ų51.211%0.10926%0.259CS..G310 helixtrans-55.3-29.2173.879.40000112.8V290 D416 I420 H446V290-V448 HydrophobicContact CG1-CG2 4.49Å; V290-V448 WeakPolarHBondContact CG1-O 3.45Å; V290-V448 HydrophobicContact CG2-CG2 3.63Å; D416-V448 HydrophobicContact CB-CB 4.15Å; D416-V448 HydrophobicContact CB-CG2 4.31Å; I420-V448 HydrophobicContact CB-CG1 4.1Å; I420-V448 HydrophobicContact CG1-CG1 4.19Å; I420-V448 HydrophobicContact CG2-CB 4.39Å; I420-V448 HydrophobicContact CG2-CG1 4.13Å; I420-V448 HydrophobicContact CG2-CG2 4.35Å; H446-V448 HydrophobicContact CB-CG1 4.39Å; H446-V448 WeakPolarHBondContact ND1-CB 3.41Å; H446-V448 VanDerWaalsContact ND1-CG1 3.29Å; H446-V448 WeakPolarHBondContact ND1-CG1 2.87Å; H446-V448 PolarHBondContact ND1-N 3.3Å; H446-V448 VanDerWaalsContact ND1-N 3.18Å; H446-V448 PolarHBondContact O-N 2.93Å
449F98.3Very high94.9Very high6 Ų647.1 Ų47.13%0.02625%0.246CC..G310 helixtrans-97.912.1179.7-58.1-62.8000113.7V290 A293 A294 I420 V443 H446 P447 N451 I452 F454V290-F449 HydrophobicContact CG1-CD1 3.77Å; V290-F449 HydrophobicContact CG1-CE1 4Å; A293-F449 HydrophobicContact CB-CE1 4.12Å; A293-F449 HydrophobicContact CB-CZ 4.21Å; A294-F449 HydrophobicContact CB-CD1 4.02Å; A294-F449 HydrophobicContact CB-CE1 3.94Å; I420-F449 HydrophobicContact CD1-CE2 4.41Å; V443-F449 HydrophobicContact CG1-CE2 4.15Å; V443-F449 VanDerWaalsContact O-CD2 3.31Å; V443-F449 WeakPolarHBondContact O-CD2 3.3Å; V443-F449 WeakPolarHBondContact O-CE2 3.18Å; H446-F449 HydrophobicContact CB-CD2 4.33Å; H446-F449 PolarHBondContact O-N 2.94Å; P447-F449 PolarHBondContact O-N 3.12Å; P447-F449 VanDerWaalsContact O-N 3.14Å; F449-N451 PolarHBondContact O-N 3.19Å; F449-I452 HydrophobicContact CB-CB 4.42Å; F449-I452 HydrophobicContact CD1-CG1 4.41Å; F449-I452 WeakPolarHBondContact O-CB 3.42Å; F449-I452 PolarHBondContact O-N 3Å; F449-F454 HydrophobicContact CB-CE2 3.8Å; F449-F454 HydrophobicContact CB-CZ 4.11Å; F449-F454 HydrophobicContact CD1-CZ 4.14Å; F449-F454 HydrophobicContact CD2-CZ 4.22Å; F449-F454 HydrophobicContact CG-CE2 4.11Å; F449-F454 AromaticContact CG-CZ 3.91Å; F449-F454 HydrophobicContact CG-CZ 3.91Å
450K94.4Very high94.9Very high146 Ų14648.2 Ų48.264%0.63525%0.246SC*.THydrogen-bonded Turntrans-53.6-27.4-175.366.8-166.8174.2-152.50114.9D416 P447D416-K450 IonicContact OD2-NZ 3.57Å; D416-K450 PolarHBondContact OD2-NZ 3.19Å; P447-K450 VanDerWaalsContact O-CB 3.26Å; P447-K450 WeakPolarHBondContact O-CB 3.45Å; P447-K450 WeakPolarHBondContact O-CD 3.46Å; P447-K450 VanDerWaalsContact O-CG 3.25Å; P447-K450 WeakPolarHBondContact O-CG 3.48Å; P447-K450 PolarHBondContact O-N 2.7Å
451N92.8Very high94.8Very high145 Ų14551.9 Ų51.978%0.77526%0.263SS*.THydrogen-bonded Turntrans-976.5179.6-63.2-26.6000113.5F449F449-N451 PolarHBondContact O-N 3.19Å
452I95.1Very high94.8Very high33 Ų3351.4 Ų51.417%0.16926%0.255CS..  trans-106.2111.7-178.9-57.7-62.1000110F291 A294 F449 F454 L457 L462F291-I452 HydrophobicContact CD2-CD1 4.46Å; A294-I452 HydrophobicContact CB-CG1 4.5Å; A294-I452 HydrophobicContact CB-CG2 4Å; F449-I452 HydrophobicContact CB-CB 4.42Å; F449-I452 HydrophobicContact CD1-CG1 4.41Å; F449-I452 WeakPolarHBondContact O-CB 3.42Å; F449-I452 PolarHBondContact O-N 3Å; I452-F454 HydrophobicContact CB-CE2 4.39Å; I452-F454 HydrophobicContact CG2-CD2 4.2Å; I452-F454 HydrophobicContact CG2-CE1 4.49Å; I452-F454 HydrophobicContact CG2-CE2 4.17Å; I452-F454 HydrophobicContact CG2-CG 4.38Å; I452-F454 HydrophobicContact CG2-CZ 4.31Å; I452-F454 PolarHBondContact O-N 3.36Å; I452-L457 HydrophobicContact CG2-CD2 4.12Å; I452-L462 HydrophobicContact CG2-CD1 4.34Å
453N91.9Very high94.7Very high35 Ų3557.5 Ų57.519%0.18728%0.281CS..  trans-80.997.5167.3-172.6-38.9000109.6K140 R455 R456 L457K140-N453 PolarHBondContact NZ-OD1 3.03Å; N453-R455 VanDerWaalsContact C-N 3.27Å; N453-R455 PolarHBondContact O-N 2.81Å; N453-R455 PolarHBondContact OD1-N 3.24Å; N453-R456 HydrophobicContact CB-CB 4.16Å; N453-R456 HydrophobicContact CB-CG 4.31Å; N453-R456 PolarHBondContact O-N 3.27Å; N453-R456 VanDerWaalsContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-N 3.03Å; N453-L457 PolarHBondContact O-N 3.49Å
454F93.9Very high94.7Very high24 Ų2458.3 Ų58.311%0.10529%0.286CS..Hα-helixtrans-58.4-30.9-175.2-82.9-84.4000114.7A294 K444 F449 I452 L457 E458A294-F454 HydrophobicContact CB-CE1 3.78Å; A294-F454 HydrophobicContact CB-CZ 3.96Å; K444-F454 HydrophobicContact CB-CD2 3.87Å; K444-F454 HydrophobicContact CB-CE1 4.38Å; K444-F454 HydrophobicContact CB-CE2 3.61Å; K444-F454 HydrophobicContact CB-CG 4.36Å; K444-F454 HydrophobicContact CB-CZ 3.89Å; K444-F454 HydrophobicContact CD-CB 4.26Å; K444-F454 HydrophobicContact CD-CD1 3.7Å; K444-F454 HydrophobicContact CD-CD2 4.15Å; K444-F454 HydrophobicContact CD-CE1 4.02Å; K444-F454 HydrophobicContact CD-CE2 4.43Å; K444-F454 HydrophobicContact CD-CG 3.76Å; K444-F454 HydrophobicContact CD-CZ 4.38Å; K444-F454 HydrophobicContact CG-CD1 3.86Å; K444-F454 HydrophobicContact CG-CD2 4.03Å; K444-F454 HydrophobicContact CG-CE1 3.65Å; K444-F454 HydrophobicContact CG-CE2 3.82Å; K444-F454 HydrophobicContact CG-CG 4.05Å; K444-F454 HydrophobicContact CG-CZ 3.63Å; K444-F454 WeakPolarHBondContact O-CE2 3.49Å; F449-F454 HydrophobicContact CB-CE2 3.8Å; F449-F454 HydrophobicContact CB-CZ 4.11Å; F449-F454 HydrophobicContact CD1-CZ 4.14Å; F449-F454 HydrophobicContact CD2-CZ 4.22Å; F449-F454 HydrophobicContact CG-CE2 4.11Å; F449-F454 AromaticContact CG-CZ 3.91Å; F449-F454 HydrophobicContact CG-CZ 3.91Å; I452-F454 HydrophobicContact CB-CE2 4.39Å; I452-F454 HydrophobicContact CG2-CD2 4.2Å; I452-F454 HydrophobicContact CG2-CE1 4.49Å; I452-F454 HydrophobicContact CG2-CE2 4.17Å; I452-F454 HydrophobicContact CG2-CG 4.38Å; I452-F454 HydrophobicContact CG2-CZ 4.31Å; I452-F454 PolarHBondContact O-N 3.36Å; F454-L457 HydrophobicContact CD1-CD2 4.2Å; F454-L457 HydrophobicContact CE1-CD2 4.38Å; F454-L457 WeakPolarHBondContact O-CB 3.47Å; F454-L457 PolarHBondContact O-N 2.97Å; F454-E458 WeakPolarHBondContact O-CB 3.38Å; F454-E458 WeakPolarHBondContact O-CG 3.44Å; F454-E458 PolarHBondContact O-N 3.44Å
455R88.5Confident94.6Very high103 Ų10359.3 Ų59.339%0.38930%0.296SS..Hα-helixtrans-70.3-41.1176-67.2-54.2-156.8175.37.5112.2K140 N453 L457 E458 A459K140-R455 HydrophobicContact CD-CB 4.13Å; K140-R455 HydrophobicContact CD-CG 3.45Å; K140-R455 VanDerWaalsContact CD-CG 3.45Å; N453-R455 VanDerWaalsContact C-N 3.27Å; N453-R455 PolarHBondContact O-N 2.81Å; N453-R455 PolarHBondContact OD1-N 3.24Å; R455-L457 VanDerWaalsContact C-N 3.29Å; R455-L457 PolarHBondContact O-N 3.21Å; R455-E458 VanDerWaalsContact CD-OE2 3.25Å; R455-E458 WeakPolarHBondContact CD-OE2 3.41Å; R455-E458 IonicContact CZ-OE2 3.54Å; R455-E458 IonicContact NE-OE2 2.69Å; R455-E458 IonicContact NH1-OE2 2.65Å; R455-E458 PolarHBondContact NH1-OE2 3.16Å; R455-E458 PolarHBondContact O-N 2.77Å; R455-A459 VanDerWaalsContact O-CB 3.27Å; R455-A459 WeakPolarHBondContact O-CB 3.48Å; R455-A459 PolarHBondContact O-N 3.39Å
456R92.9Very high94.5Very high64 Ų6455 Ų5524%0.24228%0.276CS..Hα-helixtrans-64.9-36.9173.2-70.9-175.561.4126.58.4111.1N94 N453 A459 N460 M461 L462N94-R456 PolarHBondContact OD1-NH1 3.49Å; N453-R456 HydrophobicContact CB-CB 4.16Å; N453-R456 HydrophobicContact CB-CG 4.31Å; N453-R456 PolarHBondContact O-N 3.27Å; N453-R456 VanDerWaalsContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-N 3.03Å; R456-A459 CarbonylContact O-C 3.58Å; R456-A459 PolarHBondContact O-N 2.83Å; R456-N460 PolarHBondContact O-N 2.97Å; R456-N460 VanDerWaalsContact O-N 3.16Å; R456-M461 HydrophobicContact CB-CB 4.09Å; R456-M461 HydrophobicContact CG-CB 4.5Å; R456-M461 PolarHBondContact NH2-O 3.45Å; R456-M461 PolarHBondContact O-N 3.09Å; R456-L462 HydrophobicContact CB-CD2 3.87Å; R456-L462 HydrophobicContact CB-CG 4.03Å
457L95.4Very high94.4Very high1 Ų158.5 Ų58.51%0.00530%0.3CS..Hα-helixtrans-61.7-51.4172.5-171.468.8000111.2F246 F291 A294 E295 I452 N453 F454 R455 A459 N460 L462F246-L457 HydrophobicContact CZ-CG 4.34Å; F291-L457 HydrophobicContact CE1-CD1 4.42Å; F291-L457 HydrophobicContact CE2-CD1 3.9Å; F291-L457 HydrophobicContact CZ-CD1 3.77Å; A294-L457 HydrophobicContact CB-CD2 3.62Å; E295-L457 HydrophobicContact CG-CD1 3.85Å; E295-L457 HydrophobicContact CG-CD2 4.15Å; E295-L457 HydrophobicContact CG-CG 4.25Å; I452-L457 HydrophobicContact CG2-CD2 4.12Å; N453-L457 PolarHBondContact O-N 3.49Å; F454-L457 HydrophobicContact CD1-CD2 4.2Å; F454-L457 HydrophobicContact CE1-CD2 4.38Å; F454-L457 WeakPolarHBondContact O-CB 3.47Å; F454-L457 PolarHBondContact O-N 2.97Å; R455-L457 VanDerWaalsContact C-N 3.29Å; R455-L457 PolarHBondContact O-N 3.21Å; L457-A459 PolarHBondContact O-N 3.31Å; L457-N460 PolarHBondContact O-N 3.02Å; L457-L462 HydrophobicContact CB-CD1 3.89Å; L457-L462 HydrophobicContact CB-CG 4.48Å; L457-L462 HydrophobicContact CD1-CB 4.33Å; L457-L462 HydrophobicContact CD1-CD1 4.09Å
458E93.9Very high94.1Very high46 Ų4655.4 Ų55.422%0.21528%0.28CS..Hα-helixtrans-57.9-28.6174.8-74.8163.3-165.400112.2R245 F246 K444 F454 R455R245-E458 WeakPolarHBondContact CD-O 3.25Å; R245-E458 PolarHBondContact NH1-O 3.49Å; F246-E458 HydrophobicContact CE2-CG 4.22Å; K444-E458 IonicContact NZ-OE1 3.96Å; K444-E458 PolarHBondContact NZ-OE1 3.11Å; F454-E458 WeakPolarHBondContact O-CB 3.38Å; F454-E458 WeakPolarHBondContact O-CG 3.44Å; F454-E458 PolarHBondContact O-N 3.44Å; R455-E458 VanDerWaalsContact CD-OE2 3.25Å; R455-E458 WeakPolarHBondContact CD-OE2 3.41Å; R455-E458 IonicContact CZ-OE2 3.54Å; R455-E458 IonicContact NE-OE2 2.69Å; R455-E458 IonicContact NH1-OE2 2.65Å; R455-E458 PolarHBondContact NH1-OE2 3.16Å; R455-E458 PolarHBondContact O-N 2.77Å
459A90.4Very high93.8Very high34 Ų3458.2 Ų58.228%0.28129%0.294SS..THydrogen-bonded Turntrans-90.33.4176.600000114.8V92 R455 R456 L457 M461V92-A459 HydrophobicContact CG1-CB 3.72Å; R455-A459 VanDerWaalsContact O-CB 3.27Å; R455-A459 WeakPolarHBondContact O-CB 3.48Å; R455-A459 PolarHBondContact O-N 3.39Å; R456-A459 CarbonylContact O-C 3.58Å; R456-A459 PolarHBondContact O-N 2.83Å; L457-A459 PolarHBondContact O-N 3.31Å; A459-M461 VanDerWaalsContact C-N 3.3Å; A459-M461 HydrophobicContact CB-CE 4.26Å; A459-M461 HydrophobicContact CB-CG 3.95Å; A459-M461 HydrophobicContact CB-SD 4.19Å; A459-M461 PolarHBondContact O-N 3.45Å
460N92.6Very high93.3Very high43 Ų4361.5 Ų61.523%0.2332%0.317CS..THydrogen-bonded Turntrans65.922-175.6-135.737000116.4R245 R323 H325 R456 L457R245-N460 PolarHBondContact NH2-ND2 2.79Å; R245-N460 PolarHBondContact NH2-OD1 3.48Å; R323-N460 PolarHBondContact NH1-ND2 3.21Å; H325-N460 PolarHBondContact CE1-OD1 3Å; H325-N460 PolarHBondContact NE2-OD1 3.41Å; R456-N460 PolarHBondContact O-N 2.97Å; R456-N460 VanDerWaalsContact O-N 3.16Å; L457-N460 PolarHBondContact O-N 3.02Å
461M93.3Very high93Very high83 Ų8360.2 Ų60.241%0.40931%0.313SS..  trans-96.44.3-173.1-61.8-173.1172.200113.5V92 R456 A459V92-M461 HydrophobicContact CB-CE 3.89Å; V92-M461 HydrophobicContact CB-SD 3.83Å; V92-M461 HydrophobicContact CG1-CE 4.22Å; V92-M461 HydrophobicContact CG1-SD 4.42Å; V92-M461 HydrophobicContact CG2-CE 3.63Å; V92-M461 HydrophobicContact CG2-SD 4.1Å; R456-M461 HydrophobicContact CB-CB 4.09Å; R456-M461 HydrophobicContact CG-CB 4.5Å; R456-M461 PolarHBondContact NH2-O 3.45Å; R456-M461 PolarHBondContact O-N 3.09Å; A459-M461 VanDerWaalsContact C-N 3.3Å; A459-M461 HydrophobicContact CB-CE 4.26Å; A459-M461 HydrophobicContact CB-CG 3.95Å; A459-M461 HydrophobicContact CB-SD 4.19Å; A459-M461 PolarHBondContact O-N 3.45Å
462L94.5Very high92.8Very high34 Ų3454.6 Ų54.618%0.17829%0.286CS..SBendtrans-106.7128.2172.9-57.8-172.9000108.7F291 H325 I452 R456 L457F291-L462 HydrophobicContact CE2-CB 4Å; F291-L462 HydrophobicContact CZ-CB 4.47Å; H325-L462 PolarHBondContact CE1-O 3.45Å; H325-L462 VanDerWaalsContact CE1-O 3.29Å; I452-L462 HydrophobicContact CG2-CD1 4.34Å; R456-L462 HydrophobicContact CB-CD2 3.87Å; R456-L462 HydrophobicContact CB-CG 4.03Å; L457-L462 HydrophobicContact CB-CD1 3.89Å; L457-L462 HydrophobicContact CB-CG 4.48Å; L457-L462 HydrophobicContact CD1-CB 4.33Å; L457-L462 HydrophobicContact CD1-CD1 4.09Å
463E95.1Very high92.4Very high136 Ų13654.6 Ų54.664%0.63629%0.288SS*.  trans-75.9132176.2-67.9-58.9139.600110.3R323R323-E463 IonicContact NH2-OE1 2.7Å; R323-E463 PolarHBondContact NH2-OE1 2.94Å; R323-E463 IonicContact NH2-OE2 3.32Å; R323-E463 PolarHBondContact NH2-OE2 3.24Å
464P96.5Very high92.2Very high17 Ų1754.2 Ų54.211%0.1128%0.284CS..  trans-62.1144.8174.4-2536.2000112.2F291 R323 H325 F466F291-P464 HydrophobicContact CE1-CB 3.89Å; F291-P464 HydrophobicContact CE1-CG 4.01Å; F291-P464 HydrophobicContact CZ-CB 4.19Å; F291-P464 HydrophobicContact CZ-CG 4.09Å; R323-P464 WeakPolarHBondContact O-CG 3.49Å; H325-P464 VanDerWaalsContact CE1-CG 3.48Å; H325-P464 WeakPolarHBondContact CE1-CG 3.34Å; P464-F466 PolarHBondContact O-N 3.4Å
465P95.8Very high91.6Very high55 Ų5554.4 Ų54.436%0.35729%0.288SS..SBendtrans-70.7-10.8178.627-32.7000113.4R288 F291R288-P465 HydrophobicContact CB-CG 4.06Å; R288-P465 HydrophobicContact CG-CG 4.23Å; F291-P465 HydrophobicContact CB-CG 3.88Å; F291-P465 HydrophobicContact CD1-CG 4.49Å; F291-P465 VanDerWaalsContact CG-CD 3.47Å; F291-P465 HydrophobicContact CG-CG 4.11Å
466F95.2Very high91.4Very high52 Ų5256.2 Ų56.223%0.22830%0.299CS..  trans-136.3126.7176.5172.1-89.3000110H275 L279 R288 L320 G324 P464 P468H275-F466 AromaticContact CE1-CE1 3.44Å; H275-F466 VanDerWaalsContact CE1-CE1 3.44Å; H275-F466 WeakPolarHBondContact CE1-CE1 3.4Å; H275-F466 AromaticContact CE1-CZ 3.84Å; H275-F466 AromaticContact ND1-CE1 3.78Å; L279-F466 HydrophobicContact CD1-CZ 4.4Å; R288-F466 VanDerWaalsContact CZ-CG 3.49Å; L320-F466 HydrophobicContact CD2-CD1 4.22Å; L320-F466 HydrophobicContact CD2-CE1 4.41Å; G324-F466 WeakPolarHBondContact CA-O 3.36Å; P464-F466 PolarHBondContact O-N 3.4Å; F466-P468 HydrophobicContact CD1-CG 4.42Å; F466-P468 HydrophobicContact CE1-CB 4.27Å; F466-P468 HydrophobicContact CE1-CG 3.9Å
467C94.6Very high90.9Very high86 Ų8656.8 Ų56.858%0.58131%0.307SS*.  trans-108.6123.7172.6-173.70000109.6
468P93.4Very high90.3Very high3 Ų359 Ų592%0.01932%0.32CS..  trans-60.3147.1172.7-21.432.4000112.3L320 D321 F466 P470 Y474L320-P468 HydrophobicContact CD2-CG 4.47Å; D321-P468 WeakPolarHBondContact O-CG 3.32Å; F466-P468 HydrophobicContact CD1-CG 4.42Å; F466-P468 HydrophobicContact CE1-CB 4.27Å; F466-P468 HydrophobicContact CE1-CG 3.9Å; P468-P470 WeakPolarHBondContact O-CD 3.33Å; P468-Y474 HydrophobicContact CB-CD2 4.23Å; P468-Y474 HydrophobicContact CB-CE2 3.56Å
469D91.2Very high89.6Confident76 Ų7660.9 Ų60.941%0.40633%0.331SS..  trans-70121.7173.7178.9-3.4000109.8H471 A472 Y474D469-H471 PolarHBondContact O-N 2.95Å; D469-H471 VanDerWaalsContact O-N 3.14Å; D469-H471 WeakPolarHBondContact OD1-CB 3.49Å; D469-H471 IonicContact OD1-CG 2.82Å; D469-H471 PolarHBondContact OD1-N 3.29Å; D469-H471 IonicContact OD1-ND1 3.62Å; D469-H471 PolarHBondContact OD1-ND1 2.92Å; D469-A472 HydrophobicContact CB-CB 3.88Å; D469-A472 PolarHBondContact O-N 3.1Å; D469-Y474 PolarHBondContact N-OH 2.98Å
470P87.1Confident89.3Confident76 Ų7664.4 Ų64.449%0.49435%0.345SS..THydrogen-bonded Turntrans-63.7-17.2179.225.6-34.7000114R16 P468R16-P470 PolarHBondContact NH1-O 3.49Å; P468-P470 WeakPolarHBondContact O-CD 3.33Å
471H88.1Confident88.7Confident118 Ų11863.4 Ų63.455%0.54634%0.34SS..THydrogen-bonded Turntrans-93-8.6176.9-55.790.9000113.2L13 Q17 D469L13-H471 WeakPolarHBondContact CD1-O 3.36Å; Q17-H471 PolarHBondContact NE2-CD2 3.05Å; D469-H471 PolarHBondContact O-N 2.95Å; D469-H471 VanDerWaalsContact O-N 3.14Å; D469-H471 WeakPolarHBondContact OD1-CB 3.49Å; D469-H471 IonicContact OD1-CG 2.82Å; D469-H471 PolarHBondContact OD1-N 3.29Å; D469-H471 IonicContact OD1-ND1 3.62Å; D469-H471 PolarHBondContact OD1-ND1 2.92Å
472A88.3Confident88.1Confident27 Ų2766.4 Ų66.422%0.22335%0.352CS..  trans-91.5152.1177.500000111.9R16 D469 Y474R16-A472 PolarHBondContact NH1-O 3.33Å; D469-A472 HydrophobicContact CB-CB 3.88Å; D469-A472 PolarHBondContact O-N 3.1Å; A472-Y474 HydrophobicContact CB-CD2 4.26Å; A472-Y474 HydrophobicContact CB-CE1 4.47Å; A472-Y474 HydrophobicContact CB-CE2 3.62Å
473V88.1Confident87.3Confident34 Ų3473 Ų7321%0.20638%0.382CS..  trans-114.7107.3171.1177.70000107.5N9 L13 C475N9-V473 HydrophobicContact CB-CG2 4.4Å; L13-V473 HydrophobicContact CD1-CG2 4.49Å; L13-V473 HydrophobicContact CD2-CG2 4.01Å; L13-V473 HydrophobicContact CG-CG2 4.17Å; V473-C475 WeakPolarHBondContact CG1-SG 3.25Å; V473-C475 PolarHBondContact O-N 2.87Å; V473-C475 VanDerWaalsContact O-N 3.07Å
474Y86.9Confident86.4Confident27 Ų2769.1 Ų69.111%0.10636%0.363CS..  trans-86.554.5-175.9-64.9-85.8000112.1G269 G270 F274 L279 P468 D469 A472G269-Y474 VanDerWaalsContact O-CB 3.23Å; G269-Y474 WeakPolarHBondContact O-CB 3.33Å; G270-Y474 WeakPolarHBondContact CA-O 3.21Å; F274-Y474 HydrophobicContact CD1-CD1 4.16Å; F274-Y474 AromaticContact CE1-CD1 3.84Å; F274-Y474 HydrophobicContact CE1-CD1 3.84Å; L279-Y474 HydrophobicContact CD1-CE1 4.37Å; L279-Y474 HydrophobicContact CD2-CE1 4.48Å; P468-Y474 HydrophobicContact CB-CD2 4.23Å; P468-Y474 HydrophobicContact CB-CE2 3.56Å; D469-Y474 PolarHBondContact N-OH 2.98Å; A472-Y474 HydrophobicContact CB-CD2 4.26Å; A472-Y474 HydrophobicContact CB-CE1 4.47Å; A472-Y474 HydrophobicContact CB-CE2 3.62Å
475C82.1Confident85.7Confident28 Ų2873.1 Ų73.119%0.18939%0.392CS..SBendtrans-149.6166.417265.50000111.2R191 L193 V473R191-C475 PolarHBondContact NH2-SG 3.31Å; L193-C475 WeakPolarHBondContact O-CB 3.42Å; V473-C475 WeakPolarHBondContact CG1-SG 3.25Å; V473-C475 PolarHBondContact O-N 2.87Å; V473-C475 VanDerWaalsContact O-N 3.07Å
476K83.1Confident85.2Confident141 Ų14174.6 Ų74.661%0.61341%0.409SS*.  trans-60.9155.5179.5-64.2-175.6178.6-175.90111.7R191 D480 I481R191-K476 PolarHBondContact NH2-O 3.28Å; K476-D480 HydrophobicContact CB-CB 4.34Å; K476-I481 HydrophobicContact CB-CG1 4.25Å
477D84.1Confident84.8Confident76 Ų7673.2 Ų73.241%0.40641%0.405SS..  trans-59.2146.3172.1-75.8-14.8000111.3N5 L479 D480 I481N5-D477 PolarHBondContact ND2-OD1 2.87Å; D477-L479 PolarHBondContact O-N 3.29Å; D477-D480 HydrophobicContact CB-CB 4.47Å; D477-D480 PolarHBondContact O-N 3.45Å; D477-I481 PolarHBondContact O-N 2.64Å
478V81.6Confident84.5Confident46 Ų4678 Ų7828%0.27942%0.415SS..THydrogen-bonded Turntrans-55.6-34-173.9178.30000111.9N5 A8 R191N5-V478 PolarHBondContact OD1-N 3.49Å; A8-V478 HydrophobicContact CB-CG2 4.35Å; R191-V478 HydrophobicContact CB-CG2 4.39Å
479L80.4Confident84.4Confident86 Ų8680.9 Ų80.945%0.4545%0.446SS..THydrogen-bonded Turntrans-77-25.5-179.6-59.6175.7000113.1M1 D477 I481M1-L479 HydrophobicContact CB-CD1 4.05Å; M1-L479 HydrophobicContact CG-CD1 4.49Å; D477-L479 PolarHBondContact O-N 3.29Å; L479-I481 VanDerWaalsContact C-N 3.28Å
480D83.4Confident84.5Confident108 Ų10879.1 Ų79.158%0.57844%0.436SS*.THydrogen-bonded Turntrans-82.2-10.3176.4-67.2-22.1000112.5K476 D477 E482K476-D480 HydrophobicContact CB-CB 4.34Å; D477-D480 HydrophobicContact CB-CB 4.47Å; D477-D480 PolarHBondContact O-N 3.45Å; D480-E482 PolarHBondContact O-N 3.14Å; D480-E482 VanDerWaalsContact O-N 3.16Å
481I80.8Confident84.8Confident23 Ų2384.9 Ų84.912%0.11845%0.449CS..SBendtrans-77.4101.2171.3-58.2175.3000107.5V192 K195 K476 D477 L479 Q483V192-I481 HydrophobicContact CB-CD1 4.21Å; V192-I481 HydrophobicContact CG1-CD1 3.81Å; V192-I481 HydrophobicContact CG1-CG2 4.24Å; K195-I481 HydrophobicContact CB-CG2 3.98Å; K476-I481 HydrophobicContact CB-CG1 4.25Å; D477-I481 PolarHBondContact O-N 2.64Å; L479-I481 VanDerWaalsContact C-N 3.28Å; I481-Q483 PolarHBondContact O-N 2.83Å
482E79.6Confident85Confident145 Ų14582.1 Ų82.168%0.67844%0.439SS*.  trans-45.6126.5-179.5-69.5179.6-179.600112.7K195 D480K195-E482 HydrophobicContact CD-CB 4.23Å; K195-E482 WeakPolarHBondContact CD-O 3.47Å; K195-E482 WeakPolarHBondContact CE-O 3.34Å; K195-E482 PolarHBondContact NZ-O 2.97Å; K195-E482 IonicContact NZ-OE2 2.93Å; K195-E482 PolarHBondContact NZ-OE2 3.35Å; D480-E482 PolarHBondContact O-N 3.14Å; D480-E482 VanDerWaalsContact O-N 3.16Å
483Q78.1Confident85.2Confident173 Ų17384.7 Ų84.781%0.80845%0.449SS*.PPolyproline II helixtrans-76154.7176-64.9-173.6200112.1I481I481-Q483 PolarHBondContact O-N 2.83Å
484F76.7Confident85.2Confident54 Ų5488.9 Ų88.924%0.23747%0.474CS..PPolyproline II helixtrans-86.5132.7172.7-80-58.1000111.1K195 G196 G199 R222 A486K195-F484 HydrophobicContact CD-CE1 4.35Å; K195-F484 HydrophobicContact CD-CE2 4.04Å; K195-F484 HydrophobicContact CD-CZ 3.91Å; K195-F484 VanDerWaalsContact CE-CD1 3.47Å; K195-F484 HydrophobicContact CG-CD2 4.41Å; K195-F484 HydrophobicContact CG-CE2 3.52Å; K195-F484 HydrophobicContact CG-CZ 3.61Å; G196-F484 VanDerWaalsContact O-CZ 3.25Å; G196-F484 WeakPolarHBondContact O-CZ 3.09Å; G199-F484 WeakPolarHBondContact O-CE2 3.5Å; R222-F484 VanDerWaalsContact CZ-CE1 3.47Å; F484-A486 PolarHBondContact O-N 3.32Å
485S82Confident85.3Confident102 Ų10290.8 Ų90.871%0.71350%0.496SS*.PPolyproline II helixtrans-59.6137.9165.9-43.50000110.2R222 V487R222-S485 PolarHBondContact NH2-O 3.4Å; S485-V487 PolarHBondContact O-N 2.84Å
486A83.6Confident85.8Confident86 Ų8690.1 Ų90.171%0.71149%0.49SS*.PPolyproline II helixtrans-58.8135.5177.100000111F484 K488F484-A486 PolarHBondContact O-N 3.32Å; A486-K488 PolarHBondContact O-N 2.99Å
487V87.1Confident86.2Confident22 Ų2287.8 Ų87.813%0.13348%0.481CS..  trans-83.3105177.1-177.80000108.9K221 R222 K225 S485 I490K221-V487 HydrophobicContact CB-CB 4.11Å; K221-V487 HydrophobicContact CB-CG1 4.11Å; R222-V487 HydrophobicContact CB-CG2 4.29Å; K225-V487 HydrophobicContact CB-CG1 4.3Å; K225-V487 HydrophobicContact CD-CG1 3.81Å; S485-V487 PolarHBondContact O-N 2.84Å; V487-I490 HydrophobicContact CG1-CB 3.99Å; V487-I490 HydrophobicContact CG1-CG1 3.54Å
488K88.6Confident86.6Confident186 Ų18689.4 Ų89.481%0.80949%0.49SS*.  trans-92.5153.1174.2-62.1-175179.9-177.40111A486 I490A486-K488 PolarHBondContact O-N 2.99Å; K488-I490 VanDerWaalsContact C-N 3.32Å; K488-I490 PolarHBondContact O-N 3.44Å
489G90.9Very high87.2Confident64 Ų6488.2 Ų88.266%0.6648%0.481SS*.SBendtrans74.513.417300000115.8
490I93.8Very high87.9Confident40 Ų4084.3 Ų84.321%0.20546%0.46CS..  trans-114122.8175.5-59.6-65.5000108.8K221 K224 K225 V487 K488K221-I490 HydrophobicContact CB-CG2 4.25Å; K221-I490 HydrophobicContact CG-CG2 4.41Å; K224-I490 HydrophobicContact CB-CG2 4.12Å; K224-I490 HydrophobicContact CD-CG2 3.98Å; K224-I490 HydrophobicContact CG-CG2 4.14Å; K225-I490 HydrophobicContact CB-CD1 4.24Å; K225-I490 HydrophobicContact CB-CG1 4.14Å; V487-I490 HydrophobicContact CG1-CB 3.99Å; V487-I490 HydrophobicContact CG1-CG1 3.54Å; K488-I490 VanDerWaalsContact C-N 3.32Å; K488-I490 PolarHBondContact O-N 3.44Å
491Y92.7Very high88.4Confident196 Ų19682.5 Ų82.577%0.76946%0.46SS*.  trans-110.7138.4175.5-58.7-81.9000109.2K224K224-Y491 WeakPolarHBondContact CE-O 3.28Å; K224-Y491 PolarHBondContact NZ-O 3.19Å
492L93.4Very high89Confident61 Ų6186.4 Ų86.432%0.31948%0.478SS..  trans-86138.4173.7-54.3-178.6000108K220 K221 K224 D496 Y500K220-L492 HydrophobicContact CB-CD1 3.86Å; K220-L492 HydrophobicContact CB-CD2 4.37Å; K220-L492 HydrophobicContact CD-CD1 4Å; K221-L492 HydrophobicContact CG-CD2 4.29Å; K224-L492 HydrophobicContact CD-CD2 4.04Å; L492-D496 WeakPolarHBondContact CA-OD2 3.29Å; L492-Y500 HydrophobicContact CD1-CE2 4.43Å; L492-Y500 WeakPolarHBondContact CD2-OH 3.48Å
493D91.8Very high89.8Confident81 Ų8179.5 Ų79.543%0.43345%0.446SS..  trans-125.2178.9-178.960.945.5000110.8K224 A495 D496K224-D493 IonicContact NZ-OD1 3.69Å; K224-D493 IonicContact NZ-OD2 2.77Å; K224-D493 PolarHBondContact NZ-OD2 3.11Å; D493-A495 PolarHBondContact O-N 3.11Å; D493-A495 WeakPolarHBondContact OD1-CB 3.5Å; D493-A495 PolarHBondContact OD1-N 2.82Å; D493-D496 PolarHBondContact N-OD2 3.01Å; D493-D496 WeakPolarHBondContact O-CB 3.45Å; D493-D496 PolarHBondContact O-N 3.31Å; D493-D496 VanDerWaalsContact O-N 3.12Å; D493-D496 PolarHBondContact OD1-N 2.9Å
494T89.4Confident90.7Very high122 Ų12272.9 Ų72.975%0.74842%0.421SS*.Hα-helixtrans-64.8-26.2-175.551.50000113.5D496 E497T494-D496 PolarHBondContact O-N 2.9Å; T494-E497 PolarHBondContact O-N 2.52Å
495A87.8Confident91.6Very high67 Ų6773.7 Ų73.755%0.55443%0.43SS*.Hα-helixtrans-70.6-24.3177.300000111.7D493 E497D493-A495 PolarHBondContact O-N 3.11Å; D493-A495 WeakPolarHBondContact OD1-CB 3.5Å; D493-A495 PolarHBondContact OD1-N 2.82Å; A495-E497 VanDerWaalsContact C-N 3.34Å
496D93.1Very high92.3Very high13 Ų1369.4 Ų69.47%0.0740%0.402CS..Hα-helixtrans-71.4-29.6174.2-58-57000112.4K224 L492 D493 T494 F499 Y500K224-D496 WeakPolarHBondContact CD-OD1 3.43Å; K224-D496 IonicContact NZ-OD1 3.79Å; K224-D496 PolarHBondContact NZ-OD1 3.26Å; K224-D496 IonicContact NZ-OD2 2.7Å; K224-D496 PolarHBondContact NZ-OD2 3.35Å; L492-D496 WeakPolarHBondContact CA-OD2 3.29Å; D493-D496 PolarHBondContact N-OD2 3.01Å; D493-D496 WeakPolarHBondContact O-CB 3.45Å; D493-D496 PolarHBondContact O-N 3.31Å; D493-D496 VanDerWaalsContact O-N 3.12Å; D493-D496 PolarHBondContact OD1-N 2.9Å; T494-D496 PolarHBondContact O-N 2.9Å; D496-F499 WeakPolarHBondContact O-CB 3.26Å; D496-F499 PolarHBondContact O-N 3.1Å; D496-Y500 HydrophobicContact CB-CE1 4.28Å; D496-Y500 HydrophobicContact CB-CE2 3.71Å; D496-Y500 WeakPolarHBondContact CB-OH 3.45Å; D496-Y500 WeakPolarHBondContact O-CD1 3.5Å; D496-Y500 VanDerWaalsContact O-CD2 3.3Å; D496-Y500 WeakPolarHBondContact O-CD2 3.13Å; D496-Y500 PolarHBondContact O-N 3.19Å
497E92.3Very high92.9Very high92 Ų9266.3 Ų66.343%0.4338%0.375SS..Hα-helixtrans-66.8-37.5-177.1-64.6-61.5147.300112.1T494 A495 F499 Y500 A501T494-E497 PolarHBondContact O-N 2.52Å; A495-E497 VanDerWaalsContact C-N 3.34Å; E497-F499 VanDerWaalsContact C-N 3.27Å; E497-F499 PolarHBondContact O-N 2.74Å; E497-Y500 PolarHBondContact O-N 3.17Å; E497-Y500 VanDerWaalsContact O-N 3.13Å; E497-A501 WeakPolarHBondContact O-CB 3.45Å; E497-A501 PolarHBondContact O-N 3.44Å
498D91.4Very high93.4Very high110 Ų11066.1 Ų66.159%0.58837%0.374SS*.Hα-helixtrans-60.9-39.1174.1-70.6-21.5000111.6Q502D498-Q502 WeakPolarHBondContact O-CG 3.36Å; D498-Q502 PolarHBondContact O-N 3.1Å; D498-Q502 VanDerWaalsContact O-N 3.15Å; D498-Q502 PolarHBondContact O-NE2 3.29Å
499F94.3Very high93.7Very high22 Ų2259.1 Ų59.110%0.09635%0.349CS..Hα-helixtrans-66.3-41.8174.6157.6-116000111.4I223 E229 A232 L233 L260 D496 E497 Q502 F503I223-F499 HydrophobicContact CG2-CE1 4.14Å; I223-F499 HydrophobicContact CG2-CZ 4.3Å; E229-F499 HydrophobicContact CB-CD1 4.41Å; E229-F499 HydrophobicContact CB-CD2 4.07Å; E229-F499 HydrophobicContact CB-CE1 4.29Å; E229-F499 HydrophobicContact CB-CE2 3.95Å; E229-F499 HydrophobicContact CB-CG 4.3Å; E229-F499 HydrophobicContact CB-CZ 4.07Å; E229-F499 HydrophobicContact CG-CD1 4.05Å; E229-F499 HydrophobicContact CG-CE1 4.04Å; E229-F499 HydrophobicContact CG-CG 4.32Å; E229-F499 HydrophobicContact CG-CZ 4.32Å; E229-F499 WeakPolarHBondContact O-CE2 3.38Å; A232-F499 HydrophobicContact CB-CZ 4.27Å; L233-F499 HydrophobicContact CB-CE2 4.32Å; L260-F499 HydrophobicContact CD1-CE1 3.53Å; L260-F499 HydrophobicContact CD1-CE2 4.4Å; L260-F499 HydrophobicContact CD1-CZ 3.44Å; L260-F499 VanDerWaalsContact CD1-CZ 3.44Å; D496-F499 WeakPolarHBondContact O-CB 3.26Å; D496-F499 PolarHBondContact O-N 3.1Å; E497-F499 VanDerWaalsContact C-N 3.27Å; E497-F499 PolarHBondContact O-N 2.74Å; F499-Q502 PolarHBondContact O-N 3.39Å; F499-F503 PolarHBondContact O-N 2.85Å; F499-F503 VanDerWaalsContact O-N 3.11Å
500Y95.4Very high93.9Very high3 Ų357.5 Ų57.51%0.01233%0.325CS..Hα-helixtrans-65.2-41.1178.1-56.3-25.9000112.2K220 E255 L260 L492 D496 E497 Q502 F503 A504K220-Y500 HydrophobicContact CB-CE1 4.41Å; K220-Y500 HydrophobicContact CD-CD1 4.47Å; K220-Y500 HydrophobicContact CD-CD2 4.19Å; K220-Y500 HydrophobicContact CD-CE1 3.96Å; K220-Y500 HydrophobicContact CD-CE2 3.63Å; K220-Y500 HydrophobicContact CG-CE1 3.83Å; K220-Y500 HydrophobicContact CG-CE2 4.37Å; K220-Y500 VanDerWaalsContact NZ-CE2 3.32Å; E255-Y500 WeakPolarHBondContact OE2-CB 3.23Å; L260-Y500 HydrophobicContact CD1-CD1 4.06Å; L260-Y500 HydrophobicContact CD1-CE1 4.42Å; L260-Y500 HydrophobicContact CD2-CD1 3.77Å; L260-Y500 HydrophobicContact CD2-CG 4.22Å; L260-Y500 HydrophobicContact CG-CD1 4.25Å; L492-Y500 HydrophobicContact CD1-CE2 4.43Å; L492-Y500 WeakPolarHBondContact CD2-OH 3.48Å; D496-Y500 HydrophobicContact CB-CE1 4.28Å; D496-Y500 HydrophobicContact CB-CE2 3.71Å; D496-Y500 WeakPolarHBondContact CB-OH 3.45Å; D496-Y500 WeakPolarHBondContact O-CD1 3.5Å; D496-Y500 VanDerWaalsContact O-CD2 3.3Å; D496-Y500 WeakPolarHBondContact O-CD2 3.13Å; D496-Y500 PolarHBondContact O-N 3.19Å; E497-Y500 PolarHBondContact O-N 3.17Å; E497-Y500 VanDerWaalsContact O-N 3.13Å; Y500-Q502 VanDerWaalsContact C-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.3Å; Y500-F503 WeakPolarHBondContact O-CB 3.45Å; Y500-F503 PolarHBondContact O-N 3.18Å; Y500-F503 VanDerWaalsContact O-N 3.11Å; Y500-A504 WeakPolarHBondContact O-CB 3.44Å; Y500-A504 PolarHBondContact O-N 2.98Å
501A93.1Very high94.1Very high70 Ų7056.8 Ų56.858%0.57932%0.322SS*.Hα-helixtrans-61.8-40.4175.700000112.1E497 F503E497-A501 WeakPolarHBondContact O-CB 3.45Å; E497-A501 PolarHBondContact O-N 3.44Å; A501-F503 VanDerWaalsContact C-N 3.27Å; A501-F503 PolarHBondContact O-N 2.84Å
502Q94.5Very high94.3Very high106 Ų10647.9 Ų47.950%0.49529%0.287SS..Hα-helixtrans-66.5-29174.5-72.8175.652.700113.3L233 D498 F499 Y500L233-Q502 HydrophobicContact CD1-CB 4.31Å; D498-Q502 WeakPolarHBondContact O-CG 3.36Å; D498-Q502 PolarHBondContact O-N 3.1Å; D498-Q502 VanDerWaalsContact O-N 3.15Å; D498-Q502 PolarHBondContact O-NE2 3.29Å; F499-Q502 PolarHBondContact O-N 3.39Å; Y500-Q502 VanDerWaalsContact C-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.3Å
503F96.6Very high94.5Very high0 Ų045.1 Ų45.10%027%0.273CS..Hα-helixtrans-79.6-43.9-179.6-173.1-81.4000112.4L218 A232 K236 A253 L260 L262 F499 Y500 A501 T505L218-F503 HydrophobicContact CD1-CE2 4.27Å; L218-F503 HydrophobicContact CD1-CZ 4.18Å; A232-F503 HydrophobicContact CB-CE2 4.33Å; K236-F503 HydrophobicContact CB-CD2 4.28Å; K236-F503 HydrophobicContact CB-CE2 3.94Å; K236-F503 HydrophobicContact CB-CZ 4.5Å; K236-F503 VanDerWaalsContact CE-O 3.31Å; K236-F503 WeakPolarHBondContact CE-O 3.24Å; K236-F503 HydrophobicContact CG-CD2 4.42Å; K236-F503 HydrophobicContact CG-CE2 4.29Å; A253-F503 HydrophobicContact CB-CE1 4.39Å; A253-F503 WeakPolarHBondContact CB-O 3.45Å; L260-F503 HydrophobicContact CB-CD1 3.89Å; L260-F503 HydrophobicContact CB-CE1 3.62Å; L260-F503 HydrophobicContact CB-CE2 4.41Å; L260-F503 HydrophobicContact CB-CG 4.41Å; L260-F503 HydrophobicContact CB-CZ 3.86Å; L260-F503 HydrophobicContact CD1-CB 4.25Å; L260-F503 HydrophobicContact CD1-CD1 4.14Å; L260-F503 HydrophobicContact CD1-CD2 3.91Å; L260-F503 HydrophobicContact CD1-CE1 4.48Å; L260-F503 HydrophobicContact CD1-CE2 4.24Å; L260-F503 HydrophobicContact CD1-CG 3.83Å; L260-F503 HydrophobicContact CD1-CZ 4.49Å; L260-F503 HydrophobicContact CD2-CB 4.48Å; L260-F503 HydrophobicContact CD2-CD1 4.01Å; L260-F503 HydrophobicContact CD2-CG 4.31Å; L260-F503 HydrophobicContact CG-CD1 4.23Å; L260-F503 HydrophobicContact CG-CE1 4.44Å; L260-F503 HydrophobicContact CG-CG 4.42Å; L262-F503 HydrophobicContact CD1-CZ 4.36Å; L262-F503 HydrophobicContact CD2-CE1 3.9Å; L262-F503 HydrophobicContact CD2-CE2 4.18Å; L262-F503 HydrophobicContact CD2-CZ 3.4Å; L262-F503 VanDerWaalsContact CD2-CZ 3.4Å; L262-F503 HydrophobicContact CG-CE1 4.41Å; L262-F503 HydrophobicContact CG-CZ 3.71Å; F499-F503 PolarHBondContact O-N 2.85Å; F499-F503 VanDerWaalsContact O-N 3.11Å; Y500-F503 WeakPolarHBondContact O-CB 3.45Å; Y500-F503 PolarHBondContact O-N 3.18Å; Y500-F503 VanDerWaalsContact O-N 3.11Å; A501-F503 VanDerWaalsContact C-N 3.27Å; A501-F503 PolarHBondContact O-N 2.84Å; F503-T505 VanDerWaalsContact C-N 3.34Å; F503-T505 PolarHBondContact O-N 3.5Å
504A96.3Very high94.8Very high33 Ų3343.9 Ų43.927%0.27327%0.266SS..  trans-83.667.4-170.100000113.1A253 E255 Y500 G506A253-A504 CarbonylContact O-C 3.54Å; E255-A504 HydrophobicContact CB-CB 4.38Å; E255-A504 HydrophobicContact CG-CB 4.23Å; Y500-A504 WeakPolarHBondContact O-CB 3.44Å; Y500-A504 PolarHBondContact O-N 2.98Å; A504-G506 VanDerWaalsContact C-N 3.26Å; A504-G506 PolarHBondContact O-N 3.46Å
505T95.9Very high95.1Very high71 Ų7138 Ų3844%0.43623%0.23SC..  trans-76.6-3.9-179.644.90000115.3K236 E240 A253 F503K236-T505 WeakPolarHBondContact CE-OG1 3.4Å; K236-T505 PolarHBondContact NZ-OG1 3.34Å; E240-T505 PolarHBondContact OE1-OG1 3.15Å; A253-T505 PolarHBondContact O-N 3.1Å; F503-T505 VanDerWaalsContact C-N 3.34Å; F503-T505 PolarHBondContact O-N 3.5Å
506G96.7Very high95.5Very high12 Ų1235 Ų3512%0.12421%0.205CC..EExtended strand (participates in β ladder)trans80.2-129.2-179.800000111.9Y252 A253 A504Y252-G506 CarbonylContact C-O 3.42Å; Y252-G506 VanDerWaalsContact CA-O 3.22Å; Y252-G506 WeakPolarHBondContact CA-O 3.33Å; A253-G506 PolarHBondContact N-O 3.36Å; A253-G506 WeakPolarHBondContact O-CA 3.45Å; A253-G506 PolarHBondContact O-N 2.93Å; A504-G506 VanDerWaalsContact C-N 3.26Å; A504-G506 PolarHBondContact O-N 3.46Å
507C96.2Very high95.7Very high22 Ų2237 Ų3715%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-79.8141.7-177.8-56.10000111.7E178 V182 Y252 W512E178-C507 HydrophobicContact CG-CB 4.18Å; E178-C507 WeakPolarHBondContact O-CB 3.48Å; E178-C507 PolarHBondContact O-SG 3.41Å; V182-C507 VanDerWaalsContact CG2-SG 3.5Å; Y252-C507 HydrophobicContact CD1-CB 4.28Å; Y252-C507 HydrophobicContact CE1-CB 4.36Å; Y252-C507 VanDerWaalsContact CE1-SG 3.51Å; C507-W512 HydrophobicContact CB-CB 4.26Å; C507-W512 HydrophobicContact CB-CG 4.09Å
508V96.9Very high95.7Very high17 Ų1738.6 Ų38.610%0.10322%0.222CC..  trans-92.3122.8166-174.30000108.5E240 L250 A251 I510 P511 W512E240-V508 HydrophobicContact CG-CG2 4.01Å; L250-V508 HydrophobicContact CB-CG2 4.4Å; L250-V508 HydrophobicContact CD2-CG2 3.99Å; L250-V508 HydrophobicContact CG-CG2 3.83Å; L250-V508 WeakPolarHBondContact O-CB 3.48Å; L250-V508 VanDerWaalsContact O-CG2 3.31Å; L250-V508 WeakPolarHBondContact O-CG2 3.39Å; A251-V508 PolarHBondContact O-N 3.37Å; V508-I510 PolarHBondContact O-N 3.29Å; V508-P511 HydrophobicContact CG1-CG 4.3Å; V508-P511 WeakPolarHBondContact O-CD 2.93Å; V508-W512 VanDerWaalsContact O-CB 3.23Å; V508-W512 WeakPolarHBondContact O-CB 3.35Å; V508-W512 PolarHBondContact O-N 3.15Å; V508-W512 VanDerWaalsContact O-N 3.08Å
509S95.1Very high95.7Very high40 Ų4034.9 Ų34.928%0.2821%0.205SC..Hα-helixtrans-54.8-54-164-60.80000114.5K175 E178 W512 Q513K175-S509 PolarHBondContact NZ-OG 3.03Å; E178-S509 WeakPolarHBondContact OE1-CB 3.44Å; E178-S509 PolarHBondContact OE1-OG 2.83Å; E178-S509 WeakPolarHBondContact OE2-CA 3.31Å; E178-S509 WeakPolarHBondContact OE2-CB 3.27Å; S509-W512 PolarHBondContact O-N 3.18Å; S509-Q513 WeakPolarHBondContact O-CB 3.34Å; S509-Q513 VanDerWaalsContact O-CG 3.22Å; S509-Q513 WeakPolarHBondContact O-CG 3.15Å; S509-Q513 PolarHBondContact O-N 2.62Å
510I96.3Very high95.7Very high30 Ų3034.8 Ų34.815%0.15421%0.21CC..Hα-helixtrans-67.2-50.5-172.4-71.3160.7000112.1K59 Q60 P61 V508 W512 Q513 N514K59-I510 HydrophobicContact CB-CD1 4.26Å; Q60-I510 HydrophobicContact CG-CG1 4.36Å; P61-I510 HydrophobicContact CG-CG2 4.17Å; V508-I510 PolarHBondContact O-N 3.29Å; I510-W512 VanDerWaalsContact C-N 3.31Å; I510-W512 PolarHBondContact O-N 3.15Å; I510-Q513 PolarHBondContact O-N 3.17Å; I510-N514 PolarHBondContact O-N 3.01Å; I510-N514 PolarHBondContact O-ND2 3.09Å
511P96.8Very high95.6Very high24 Ų2434.7 Ų34.716%0.15621%0.21CC..Hα-helixtrans-61.4-37.1176.3-28.139.7000113.6L250 A251 V508 N514 E515L250-P511 WeakPolarHBondContact O-CG 3.15Å; A251-P511 HydrophobicContact CB-CB 3.99Å; V508-P511 HydrophobicContact CG1-CG 4.3Å; V508-P511 WeakPolarHBondContact O-CD 2.93Å; P511-N514 PolarHBondContact O-N 3.02Å; P511-E515 WeakPolarHBondContact O-CB 3.36Å; P511-E515 PolarHBondContact O-N 3.25Å
512W97.7Very high95.8Very high10 Ų1032 Ų324%0.03819%0.185CC..Hα-helixtrans-64.7-43.2176.2-176.496.6000112.1I62 W174 L177 E178 Y252 C507 V508 S509 I510 E515 M516I62-W512 HydrophobicContact CD1-CZ3 4.2Å; W174-W512 AromaticContact CE3-CH2 3.87Å; W174-W512 HydrophobicContact CE3-CH2 3.87Å; W174-W512 HydrophobicContact CE3-CZ3 4.12Å; W174-W512 HydrophobicContact CZ3-CH2 4.26Å; L177-W512 HydrophobicContact CB-CH2 3.99Å; L177-W512 HydrophobicContact CB-CZ2 4.24Å; E178-W512 HydrophobicContact CB-CD2 4.16Å; E178-W512 HydrophobicContact CB-CE3 3.85Å; E178-W512 HydrophobicContact CB-CH2 3.99Å; E178-W512 HydrophobicContact CB-CZ2 4.28Å; E178-W512 HydrophobicContact CB-CZ3 3.76Å; E178-W512 HydrophobicContact CG-CD2 3.91Å; E178-W512 HydrophobicContact CG-CE3 3.76Å; E178-W512 HydrophobicContact CG-CG 4.3Å; E178-W512 HydrophobicContact CG-CZ3 4.2Å; Y252-W512 AromaticContact CE1-CD1 3.59Å; Y252-W512 AromaticContact CZ-CD1 3.76Å; C507-W512 HydrophobicContact CB-CB 4.26Å; C507-W512 HydrophobicContact CB-CG 4.09Å; V508-W512 VanDerWaalsContact O-CB 3.23Å; V508-W512 WeakPolarHBondContact O-CB 3.35Å; V508-W512 PolarHBondContact O-N 3.15Å; V508-W512 VanDerWaalsContact O-N 3.08Å; S509-W512 PolarHBondContact O-N 3.18Å; I510-W512 VanDerWaalsContact C-N 3.31Å; I510-W512 PolarHBondContact O-N 3.15Å; W512-E515 WeakPolarHBondContact O-CB 3.39Å; W512-E515 PolarHBondContact O-N 3.15Å; W512-M516 HydrophobicContact CD2-CE 4.21Å; W512-M516 HydrophobicContact CD2-CG 4.16Å; W512-M516 HydrophobicContact CE3-CG 3.99Å; W512-M516 HydrophobicContact CH2-CG 3.86Å; W512-M516 HydrophobicContact CH2-CE 4.48Å; W512-M516 PolarHBondContact O-N 3.45Å; W512-M516 WeakPolarHBondContact O-CG 3.44Å; W512-M516 HydrophobicContact CZ3-CG 3.83Å; W512-M516 HydrophobicContact CZ2-CG 4.04Å; W512-M516 HydrophobicContact CZ2-SD 4.26Å; W512-M516 HydrophobicContact CH2-SD 4.5Å; W512-M516 HydrophobicContact CZ2-CE 3.74Å
513Q98.1Very high95.7Very high2 Ų234.4 Ų34.41%0.00919%0.194CC..Hα-helixtrans-65.8-43.4177.3-73.8-179.333.600111.8Q60 P61 I62 K175 E178 S509 I510 E515 M516 I517Q60-Q513 VanDerWaalsContact C-OE1 3.31Å; P61-Q513 HydrophobicContact CB-CB 4.05Å; P61-Q513 HydrophobicContact CG-CB 4.04Å; P61-Q513 VanDerWaalsContact N-OE1 3.15Å; I62-Q513 HydrophobicContact CB-CB 4.36Å; I62-Q513 HydrophobicContact CB-CG 4.1Å; I62-Q513 HydrophobicContact CD1-CB 4.12Å; I62-Q513 HydrophobicContact CD1-CG 3.9Å; I62-Q513 HydrophobicContact CG1-CB 3.9Å; I62-Q513 HydrophobicContact CG1-CG 3.97Å; K175-Q513 VanDerWaalsContact NZ-NE2 3.13Å; E178-Q513 PolarHBondContact OE2-NE2 3.25Å; S509-Q513 WeakPolarHBondContact O-CB 3.34Å; S509-Q513 VanDerWaalsContact O-CG 3.22Å; S509-Q513 WeakPolarHBondContact O-CG 3.15Å; S509-Q513 PolarHBondContact O-N 2.62Å; I510-Q513 PolarHBondContact O-N 3.17Å; Q513-E515 VanDerWaalsContact C-N 3.29Å; Q513-E515 PolarHBondContact O-N 3.02Å; Q513-M516 PolarHBondContact O-N 3.14Å; Q513-M516 VanDerWaalsContact O-N 3.16Å; Q513-I517 WeakPolarHBondContact O-CD1 3.41Å; Q513-I517 WeakPolarHBondContact O-CG1 3.48Å; Q513-I517 PolarHBondContact O-N 2.97Å; Q513-I517 VanDerWaalsContact O-N 3.09Å
514N96.4Very high95.5Very high55 Ų5536 Ų3629%0.29420%0.202SC..Hα-helixtrans-57.9-42.5172.6-79.3-31.5000111.5P61 I510 P511 M516 I517 E518P61-N514 WeakPolarHBondContact CB-OD1 3.48Å; P61-N514 WeakPolarHBondContact CG-OD1 3.38Å; I510-N514 PolarHBondContact O-N 3.01Å; I510-N514 PolarHBondContact O-ND2 3.09Å; P511-N514 PolarHBondContact O-N 3.02Å; N514-M516 PolarHBondContact O-N 3.4Å; N514-I517 PolarHBondContact O-N 3.41Å; N514-E518 VanDerWaalsContact O-CB 3.32Å; N514-E518 WeakPolarHBondContact O-CB 3.41Å; N514-E518 VanDerWaalsContact O-CG 3.22Å; N514-E518 WeakPolarHBondContact O-CG 3.43Å; N514-E518 PolarHBondContact O-N 3.06Å
515E96.3Very high95.3Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-57.7-45.4173.5165.8174.2171.700113.4V206 T209 K211 Y213 Y252 P511 W512 Q513 I517 S519V206-E515 WeakPolarHBondContact CB-OE1 3.41Å; V206-E515 WeakPolarHBondContact CG1-OE1 3.33Å; V206-E515 WeakPolarHBondContact CG2-OE1 3.34Å; T209-E515 VanDerWaalsContact CB-OE1 3.28Å; T209-E515 WeakPolarHBondContact CB-OE1 3.47Å; T209-E515 HydrophobicContact CG2-CG 3.89Å; T209-E515 WeakPolarHBondContact CG2-OE1 3.36Å; T209-E515 PolarHBondContact OG1-OE1 2.85Å; K211-E515 HydrophobicContact CB-CG 4.01Å; K211-E515 HydrophobicContact CD-CB 3.59Å; K211-E515 HydrophobicContact CD-CG 3.54Å; K211-E515 HydrophobicContact CG-CG 4.4Å; Y213-E515 WeakPolarHBondContact CE2-OE2 3.14Å; Y213-E515 PolarHBondContact OH-OE2 2.83Å; Y252-E515 PolarHBondContact OH-OE1 2.58Å; Y252-E515 PolarHBondContact OH-OE2 3.25Å; P511-E515 WeakPolarHBondContact O-CB 3.36Å; P511-E515 PolarHBondContact O-N 3.25Å; W512-E515 WeakPolarHBondContact O-CB 3.39Å; W512-E515 PolarHBondContact O-N 3.15Å; Q513-E515 VanDerWaalsContact C-N 3.29Å; Q513-E515 PolarHBondContact O-N 3.02Å; E515-I517 PolarHBondContact O-N 3.29Å; E515-S519 PolarHBondContact O-OG 2.64Å; E515-S519 WeakPolarHBondContact O-CB 3.26Å; E515-S519 PolarHBondContact O-N 3.31Å
516M97.3Very high94.9Very high3 Ų331.6 Ų31.62%0.01517%0.172CC..Hα-helixtrans-63.3-34.8179.2-67.2-57.8141.600111.9L34 I62 W174 T209 W512 Q513 N514 S519 C521 F522L34-M516 HydrophobicContact CD1-SD 3.94Å; L34-M516 HydrophobicContact CD2-CE 4.42Å; L34-M516 HydrophobicContact CD2-SD 4.46Å; I62-M516 HydrophobicContact CD1-CB 4.08Å; W174-M516 HydrophobicContact CZ3-CB 4.18Å; W174-M516 HydrophobicContact CZ3-CG 4.01Å; W174-M516 HydrophobicContact CZ3-SD 4.3Å; T209-M516 HydrophobicContact CG2-CE 3.37Å; T209-M516 HydrophobicContact CG2-SD 3.75Å; W512-M516 HydrophobicContact CD2-CE 4.21Å; W512-M516 HydrophobicContact CD2-CG 4.16Å; W512-M516 HydrophobicContact CE3-CG 3.99Å; W512-M516 HydrophobicContact CH2-CG 3.86Å; W512-M516 HydrophobicContact CH2-CE 4.48Å; W512-M516 PolarHBondContact O-N 3.45Å; W512-M516 WeakPolarHBondContact O-CG 3.44Å; W512-M516 HydrophobicContact CZ3-CG 3.83Å; W512-M516 HydrophobicContact CZ2-CG 4.04Å; W512-M516 HydrophobicContact CZ2-SD 4.26Å; W512-M516 HydrophobicContact CH2-SD 4.5Å; W512-M516 HydrophobicContact CZ2-CE 3.74Å; Q513-M516 PolarHBondContact O-N 3.14Å; Q513-M516 VanDerWaalsContact O-N 3.16Å; N514-M516 PolarHBondContact O-N 3.4Å; M516-S519 PolarHBondContact O-OG 3.19Å; M516-C521 PolarHBondContact O-N 3.05Å; M516-C521 HydrophobicContact SD-CB 4.04Å; M516-F522 HydrophobicContact CB-CB 4.45Å; M516-F522 PolarHBondContact O-N 3.45Å
517I95.9Very high94.3Very high54 Ų5436.9 Ų36.928%0.27719%0.191SC..Hα-helixtrans-73.6-56.9177.7-65161.3000110.7P61 I62 L65 Q513 N514 E515 S519 G520 F522P61-I517 HydrophobicContact CB-CD1 3.46Å; P61-I517 VanDerWaalsContact CB-CD1 3.46Å; I62-I517 HydrophobicContact CG1-CD1 4.02Å; I62-I517 HydrophobicContact CG1-CG1 4.13Å; L65-I517 HydrophobicContact CD1-CD1 3.5Å; L65-I517 VanDerWaalsContact CD1-CD1 3.5Å; L65-I517 HydrophobicContact CD1-CG1 3.76Å; L65-I517 HydrophobicContact CD1-CG2 4.32Å; L65-I517 HydrophobicContact CG-CD1 4.48Å; Q513-I517 WeakPolarHBondContact O-CD1 3.41Å; Q513-I517 WeakPolarHBondContact O-CG1 3.48Å; Q513-I517 PolarHBondContact O-N 2.97Å; Q513-I517 VanDerWaalsContact O-N 3.09Å; N514-I517 PolarHBondContact O-N 3.41Å; E515-I517 PolarHBondContact O-N 3.29Å; I517-S519 VanDerWaalsContact C-N 3.32Å; I517-S519 PolarHBondContact O-N 3.4Å; I517-G520 WeakPolarHBondContact O-CA 3.12Å; I517-G520 PolarHBondContact O-N 3.38Å; I517-F522 HydrophobicContact CG1-CB 4.29Å; I517-F522 HydrophobicContact CG1-CG 4.42Å
518E93.4Very high93.4Very high127 Ų12737.4 Ų37.459%0.59320%0.195SC*.Hα-helixtrans-61-39.5-176.5-71.2165.1-16800112.3K211 N514 G520K211-E518 WeakPolarHBondContact CE-OE2 3.48Å; K211-E518 IonicContact NZ-OE1 2.8Å; K211-E518 IonicContact NZ-OE2 2.63Å; K211-E518 PolarHBondContact NZ-OE2 2.99Å; N514-E518 VanDerWaalsContact O-CB 3.32Å; N514-E518 WeakPolarHBondContact O-CB 3.41Å; N514-E518 VanDerWaalsContact O-CG 3.22Å; N514-E518 WeakPolarHBondContact O-CG 3.43Å; N514-E518 PolarHBondContact O-N 3.06Å; E518-G520 PolarHBondContact O-N 3.19Å
519S91.8Very high92.5Very high31 Ų3139.3 Ų39.322%0.21720%0.203CC..THydrogen-bonded Turntrans-68.7-18176.364.50000112.2R26 E515 M516 I517 C521R26-S519 PolarHBondContact NH2-O 3.23Å; E515-S519 PolarHBondContact O-OG 2.64Å; E515-S519 WeakPolarHBondContact O-CB 3.26Å; E515-S519 PolarHBondContact O-N 3.31Å; M516-S519 PolarHBondContact O-OG 3.19Å; I517-S519 VanDerWaalsContact C-N 3.32Å; I517-S519 PolarHBondContact O-N 3.4Å; S519-C521 VanDerWaalsContact C-N 3.34Å; S519-C521 PolarHBondContact OG-N 2.95Å; S519-C521 PolarHBondContact OG-SG 3.27Å
520G93.2Very high91.5Very high21 Ų2144.5 Ų44.522%0.21622%0.216CC..THydrogen-bonded Turntrans82.84.7-173.600000114.3I517 E518 D524I517-G520 WeakPolarHBondContact O-CA 3.12Å; I517-G520 PolarHBondContact O-N 3.38Å; E518-G520 PolarHBondContact O-N 3.19Å; G520-D524 WeakPolarHBondContact O-CB 3.48Å; G520-D524 PolarHBondContact O-N 3.41Å
521C94.2Very high90.4Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-61.3-44.4177.6-79.50000112R26 L34 M516 S519 K523 D524 I525R26-C521 VanDerWaalsContact CZ-SG 3.52Å; L34-C521 HydrophobicContact CD1-CB 4.09Å; M516-C521 PolarHBondContact O-N 3.05Å; M516-C521 HydrophobicContact SD-CB 4.04Å; S519-C521 VanDerWaalsContact C-N 3.34Å; S519-C521 PolarHBondContact OG-N 2.95Å; S519-C521 PolarHBondContact OG-SG 3.27Å; C521-K523 PolarHBondContact O-N 3.29Å; C521-D524 PolarHBondContact O-N 2.92Å; C521-I525 PolarHBondContact O-N 2.99Å; C521-I525 WeakPolarHBondContact O-CG1 3.15Å; C521-I525 WeakPolarHBondContact O-CB 3.38Å
522F95.5Very high89Confident13 Ų1354 Ų546%0.05726%0.256CS..Hα-helixtrans-54.8-51.9177.3177.5-102.9000111.8I62 L65 L66 W174 M516 I517 I525 N526I62-F522 HydrophobicContact CB-CE2 4.4Å; I62-F522 HydrophobicContact CD1-CD2 3.92Å; I62-F522 HydrophobicContact CD1-CE2 4.42Å; I62-F522 HydrophobicContact CG1-CD2 3.94Å; I62-F522 HydrophobicContact CG1-CE2 4.17Å; I62-F522 HydrophobicContact CG2-CD2 4.16Å; I62-F522 HydrophobicContact CG2-CE2 3.61Å; I62-F522 HydrophobicContact CG2-CZ 4.38Å; L65-F522 HydrophobicContact CB-CE1 4.39Å; L65-F522 HydrophobicContact CB-CZ 4.44Å; L65-F522 HydrophobicContact CD1-CD1 4.22Å; L65-F522 HydrophobicContact CD1-CE1 3.93Å; L66-F522 HydrophobicContact CD2-CE2 4.45Å; L66-F522 HydrophobicContact CD2-CZ 4.02Å; L66-F522 HydrophobicContact CG-CE2 4.42Å; L66-F522 HydrophobicContact CG-CZ 4.13Å; W174-F522 HydrophobicContact CD2-CD2 4.12Å; W174-F522 HydrophobicContact CD2-CE2 4.49Å; W174-F522 AromaticContact CE2-CD2 3.48Å; W174-F522 VanDerWaalsContact CE2-CD2 3.48Å; W174-F522 AromaticContact CE2-CE2 3.85Å; W174-F522 HydrophobicContact CH2-CB 4.28Å; W174-F522 HydrophobicContact CH2-CD2 4.15Å; W174-F522 HydrophobicContact CZ2-CB 4.3Å; W174-F522 AromaticContact CZ2-CD2 3.51Å; W174-F522 HydrophobicContact CZ2-CD2 3.51Å; W174-F522 HydrophobicContact CZ2-CE2 4.25Å; W174-F522 HydrophobicContact CZ2-CG 4.28Å; W174-F522 AromaticContact NE1-CD2 3.69Å; W174-F522 AromaticContact NE1-CE2 3.54Å; M516-F522 HydrophobicContact CB-CB 4.45Å; M516-F522 PolarHBondContact O-N 3.45Å; I517-F522 HydrophobicContact CG1-CB 4.29Å; I517-F522 HydrophobicContact CG1-CG 4.42Å; F522-I525 PolarHBondContact O-N 3.5Å; F522-N526 WeakPolarHBondContact CZ-ND2 3.26Å; F522-N526 WeakPolarHBondContact O-CB 3.46Å; F522-N526 PolarHBondContact O-N 3.15Å; F522-N526 PolarHBondContact O-OD1 3.32Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.35Å
523K93.4Very high87.3Confident158 Ų15857.3 Ų57.369%0.68729%0.286SS*.Hα-helixtrans-62.8-46.3178.3-175.4177.2-179.9174.50112.4C521 I525 K527C521-K523 PolarHBondContact O-N 3.29Å; K523-I525 VanDerWaalsContact C-N 3.33Å; K523-I525 PolarHBondContact O-N 2.94Å; K523-K527 VanDerWaalsContact O-CB 3.31Å; K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 2.92Å; K523-K527 VanDerWaalsContact O-N 3.07Å
524D92.2Very high84.9Confident32 Ų3263.1 Ų63.117%0.17132%0.316CS..Hα-helixtrans-66.6-31.8-177.7-79.4-22.6000112.7K23 R26 W30 R31 G520 C521K23-D524 VanDerWaalsContact NZ-CG 3.35Å; K23-D524 IonicContact NZ-OD1 2.72Å; K23-D524 PolarHBondContact NZ-OD1 3.35Å; K23-D524 IonicContact NZ-OD2 3.79Å; K23-D524 PolarHBondContact NZ-OD2 3.27Å; R26-D524 IonicContact CZ-OD2 3.87Å; R26-D524 IonicContact NH1-OD2 3.17Å; R26-D524 PolarHBondContact NH1-OD2 3.25Å; R26-D524 IonicContact NH2-OD2 2.74Å; R26-D524 PolarHBondContact NH2-OD2 3.09Å; W30-D524 HydrophobicContact CH2-CB 3.72Å; W30-D524 HydrophobicContact CZ2-CB 4.38Å; R31-D524 PolarHBondContact NH1-O 3.26Å; G520-D524 WeakPolarHBondContact O-CB 3.48Å; G520-D524 PolarHBondContact O-N 3.41Å; C521-D524 PolarHBondContact O-N 2.92Å
525I92.1Very high82.4Confident11 Ų1165 Ų656%0.05633%0.331CS..Hα-helixtrans-80.2-51.4178.1-71.8164.7000110.3W30 L34 L36 W174 C521 F522 K523 K527 S528 E529W30-I525 HydrophobicContact CH2-CG1 4.35Å; W30-I525 HydrophobicContact CZ3-CD1 3.97Å; W30-I525 HydrophobicContact CZ3-CG1 3.92Å; L34-I525 HydrophobicContact CB-CD1 3.61Å; L34-I525 HydrophobicContact CD1-CD1 4.22Å; L34-I525 WeakPolarHBondContact O-CD1 3.35Å; L36-I525 HydrophobicContact CD1-CG2 3.53Å; L36-I525 HydrophobicContact CG-CG2 3.84Å; W174-I525 HydrophobicContact CH2-CB 4.17Å; W174-I525 HydrophobicContact CH2-CD1 3.75Å; W174-I525 HydrophobicContact CH2-CG2 4.31Å; W174-I525 HydrophobicContact CZ2-CB 4.04Å; W174-I525 HydrophobicContact CZ2-CD1 4.45Å; W174-I525 HydrophobicContact CZ2-CG2 3.94Å; C521-I525 PolarHBondContact O-N 2.99Å; C521-I525 WeakPolarHBondContact O-CG1 3.15Å; C521-I525 WeakPolarHBondContact O-CB 3.38Å; F522-I525 PolarHBondContact O-N 3.5Å; K523-I525 VanDerWaalsContact C-N 3.33Å; K523-I525 PolarHBondContact O-N 2.94Å; I525-K527 PolarHBondContact O-N 3.19Å; I525-S528 PolarHBondContact O-N 3.27Å; I525-E529 PolarHBondContact O-N 3.45Å
526N87.6Confident79.9Confident2 Ų273.5 Ų73.51%0.01138%0.376CS..Hα-helixtrans-64.1-25.6-179.1-72.620.7000113Q170 W174 F522 R530Q170-N526 PolarHBondContact OE1-ND2 3.06Å; W174-N526 VanDerWaalsContact CZ2-OD1 3.28Å; W174-N526 WeakPolarHBondContact CZ2-OD1 3.41Å; W174-N526 PolarHBondContact NE1-OD1 3.27Å; F522-N526 WeakPolarHBondContact CZ-ND2 3.26Å; F522-N526 WeakPolarHBondContact O-CB 3.46Å; F522-N526 PolarHBondContact O-N 3.15Å; F522-N526 PolarHBondContact O-OD1 3.32Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.35Å; N526-R530 WeakPolarHBondContact O-CG 3.47Å; N526-R530 PolarHBondContact O-N 3Å; N526-R530 PolarHBondContact O-NE 3.26Å
527K85Confident77Confident123 Ų12380 Ų8054%0.53541%0.41SS..Hα-helixtrans-68.6-46.1170.8-174.8176.8175.3-176.50111.5K523 I525 E529 R530 E531K523-K527 VanDerWaalsContact O-CB 3.31Å; K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 2.92Å; K523-K527 VanDerWaalsContact O-N 3.07Å; I525-K527 PolarHBondContact O-N 3.19Å; K527-E529 VanDerWaalsContact C-N 3.34Å; K527-E529 PolarHBondContact O-N 3.47Å; K527-R530 PolarHBondContact O-N 2.96Å; K527-E531 PolarHBondContact O-N 3.12Å; K527-E531 WeakPolarHBondContact O-CG 3.32Å; K527-E531 WeakPolarHBondContact CE-OE1 3.5Å; K527-E531 IonicContact NZ-OE1 2.62Å
528S77.3Confident74.4Confident33 Ų3385.5 Ų85.523%0.23144%0.439CS..Hα-helixtrans-64.2-37.8-179.3-174.70000112.4I525 E531 K532I525-S528 PolarHBondContact O-N 3.27Å; S528-E531 PolarHBondContact O-N 2.96Å; S528-K532 WeakPolarHBondContact O-CG 3.42Å; S528-K532 PolarHBondContact O-N 3.35Å
529E76.9Confident71.8Confident57 Ų5787.2 Ų87.227%0.26645%0.453SS..Hα-helixtrans-67.2-37.1177.6-67.2-54.4118.400112.1L36 I525 K527 K532 A533L36-E529 HydrophobicContact CD1-CG 3.99Å; I525-E529 PolarHBondContact O-N 3.45Å; K527-E529 VanDerWaalsContact C-N 3.34Å; K527-E529 PolarHBondContact O-N 3.47Å; E529-K532 PolarHBondContact O-N 2.97Å; E529-K532 IonicContact OE1-NZ 2.63Å; E529-K532 PolarHBondContact OE1-NZ 3.46Å; E529-A533 WeakPolarHBondContact O-CB 3.33Å; E529-A533 PolarHBondContact O-N 3.33Å
530R73.7Confident69.2Low149 Ų14995 Ų9556%0.56248%0.483SS*.Hα-helixtrans-65.3-39.7172.7-76-175.4-79.4-159.5-1.7112.6N526 K527 K532 A533 L534N526-R530 WeakPolarHBondContact O-CG 3.47Å; N526-R530 PolarHBondContact O-N 3Å; N526-R530 PolarHBondContact O-NE 3.26Å; K527-R530 PolarHBondContact O-N 2.96Å; R530-K532 VanDerWaalsContact C-N 3.31Å; R530-K532 PolarHBondContact O-N 3.23Å; R530-A533 PolarHBondContact O-N 3.33Å; R530-L534 PolarHBondContact O-N 3.32Å
531E72.8Confident66.3Low113 Ų113100.9 Ų100.953%0.52851%0.509SS..Hα-helixtrans-64.6-33.7175.1-72.5171.7175.600112.4K527 S528K527-E531 PolarHBondContact O-N 3.12Å; K527-E531 WeakPolarHBondContact O-CG 3.32Å; K527-E531 WeakPolarHBondContact CE-OE1 3.5Å; K527-E531 IonicContact NZ-OE1 2.62Å; S528-E531 PolarHBondContact O-N 2.96Å
532K69.3Low63.4Low140 Ų140109.3 Ų109.361%0.60955%0.552SS**Hα-helixtrans-75.6-28.2173.8-68.9172.7-170.8167.80113.5S528 E529 R530S528-K532 WeakPolarHBondContact O-CG 3.42Å; S528-K532 PolarHBondContact O-N 3.35Å; E529-K532 PolarHBondContact O-N 2.97Å; E529-K532 IonicContact OE1-NZ 2.63Å; E529-K532 PolarHBondContact OE1-NZ 3.46Å; R530-K532 VanDerWaalsContact C-N 3.31Å; R530-K532 PolarHBondContact O-N 3.23Å
533A61.8Low60.4Low80 Ų80116.6 Ų116.666%0.66159%0.586SS**Hα-helixtrans-83.5-15.1-178.700000113.7E529 R530 P535E529-A533 WeakPolarHBondContact O-CB 3.33Å; E529-A533 PolarHBondContact O-N 3.33Å; R530-A533 PolarHBondContact O-N 3.33Å; A533-P535 WeakPolarHBondContact O-CD 3.44Å
534L46Very low57.3Low124 Ų124114.8 Ų114.865%0.64959%0.589SS**SBendtrans-65.7124.1167.9-79.4159.2000108.8R530 L536R530-L534 PolarHBondContact O-N 3.32Å; L534-L536 PolarHBondContact O-N 3.11Å
535P43.9Very low54.5Low93 Ų93118.8 Ų118.860%0.60462%0.616SS**  trans-58.2137.2176.6-21.531.7000110.6A533 D537A533-P535 WeakPolarHBondContact O-CD 3.44Å; P535-D537 HydrophobicContact CB-CB 3.94Å; P535-D537 PolarHBondContact O-N 2.94Å
536L43.9Very low51.9Low180 Ų180125 Ų12594%0.94265%0.654SS**  trans-66.251.6155.7-77.3153.6000109.8L534L534-L536 PolarHBondContact O-N 3.11Å
537D37.8Very low49.1Very low139 Ų139130.4 Ų130.474%0.74369%0.692SS**  trans-104.676173.7-82.5-31.5000109.1P535P535-D537 HydrophobicContact CB-CB 3.94Å; P535-D537 PolarHBondContact O-N 2.94Å
538L40.6Very low46.4Very low169 Ų169135.7 Ų135.789%0.88571%0.709SS**SBendtrans-159.155.4157.7-109.6150.8000107.9
539D39.3Very low44.1Very low163 Ų163139.8 Ų139.887%0.87274%0.735SS**  trans-163.266.6160-108.8-15.2000111.7
540K37.6Very low41.8Very low195 Ų195145.4 Ų145.485%0.84877%0.767SS**SBendtrans-138.8112.3151.7-73.9-168.9-179.7169.90110.5
541N31.3Very low40Very low145 Ų145147.8 Ų147.878%0.77578%0.776SS**  trans80.182.5158.8-58-24.7000119.1
542I34.1Very low37.9Very low176 Ų176145.1 Ų145.190%0.90378%0.779SS**  -139.6125.8127.7-57.1-175.3000109
543H31.6Very low36.2Very low166 Ų166146 Ų14677%0.76978%0.783SS**  trans-74.7120.7178-93.6-77.7000113
544T29.1Very low34.9Very low121 Ų121151.8 Ų151.874%0.74279%0.793SS**  trans62.2154.4144.250.50000121.7
545P33Very low34.3Very low116 Ų116154.7 Ų154.775%0.75380%0.797SS**  cis-126.7160.211.137.4-19.3000116.8
546V38.2Very low33.8Very low141 Ų141160.6 Ų160.686%0.85581%0.807SS**  trans-20120.5169.8-175.70000116.5
547S28Very low33.2Very low115 Ų115158.3 Ų158.380%0.80480%0.795SS**  trans-135.7138155.460.20000111.6
548R28.8Very low33.2Very low234 Ų234161 Ų16188%0.88380%0.801SS**PPolyproline II helixtrans-58.7153.9-159.3-65.5171.4174.1174.9-3.3116.2
549P28.7Very low32.6Very low120 Ų120164.9 Ų164.978%0.77980%0.804SS**PPolyproline II helixtrans-73.1127.5179.828.3-32.9000112.4R551P549-R551 PolarHBondContact O-N 3.04Å
550N28.7Very low32.1Very low175 Ų175169.4 Ų169.494%0.93681%0.809SS**PPolyproline II helixtrans-77116.6173.6-114.4-15.1000110.3
551R34.4Very low31.5Very low198 Ų198164 Ų16475%0.74781%0.808SS**PPolyproline II helixtrans-69.3134.5-174.3-67.6175.2175.5178.8-2.6111.6P549P549-R551 PolarHBondContact O-N 3.04Å
552G29.4Very low31.3Very low58 Ų58160.8 Ų160.860%0.59881%0.809SS**PPolyproline II helixtrans-68.9168.9177.700000115.2F554 Y555G552-F554 PolarHBondContact O-N 3.2Å; G552-Y555 PolarHBondContact O-N 3.38Å
553F34.2Very low31Very low158 Ų158158.4 Ų158.469%0.69381%0.807SS**G310 helixtrans-50.1-11.1-171.2-170.2-105.5000117.9Y555F553-Y555 VanDerWaalsContact C-N 3.26Å; F553-Y555 PolarHBondContact O-N 2.81Å
554F34Very low30.8Very low201 Ų201158.6 Ų158.688%0.88281%0.813SS**G310 helixtrans-76.8-4.6178.5-78-79.7000114.8G552G552-F554 PolarHBondContact O-N 3.2Å
555Y33.5Very low30.6Very low186 Ų186158.5 Ų158.573%0.72981%0.812SS**G310 helixtrans-87.4-0.1176.4-142.7-98.4000114.2G552 F553G552-Y555 PolarHBondContact O-N 3.38Å; F553-Y555 VanDerWaalsContact C-N 3.26Å; F553-Y555 PolarHBondContact O-N 2.81Å
556R33.5Very low30.2Very low216 Ų216162 Ų16282%0.81582%0.82SS**G310 helixtrans-104.95-177-80.1-173-158.3158.77.8116.1
557L32Very low29.8Very low132 Ų132161.4 Ų161.469%0.69182%0.817SS**SBendtrans-107.34.1-175-117.9114.1000116.9
558F36.9Very low29.8Very low197 Ų197161.9 Ų161.986%0.86482%0.818SS**SBendtrans-135.378.2171.7-72.7-79.3000111.6
559R28.9Very low29.7Very low249 Ų249156 Ų15694%0.9481%0.813SS**  trans-171.485.1149.5-109.9-178-177.6-157.31.2111
560R28.6Very low29.7Very low259 Ų259158.8 Ų158.898%0.97782%0.815SS**  trans-148.9105.2147.5-110.5-174.8179.5-175.3-0.1107.3
561G25.3Very low29.7Very low80 Ų80159.1 Ų159.183%0.82581%0.808SS**  trans166.4110.5173.800000111.1
562G27.6Very low29.4Very low79 Ų79157 Ų15781%0.81481%0.806SS**  trans90.688.3152.100000116.6
563C26Very low29.5Very low126 Ų126160.2 Ų160.285%0.85181%0.814SS**  trans-69119.3146.9-174.80000107.4
564L27.4Very low29.4Very low169 Ų169161.3 Ų161.389%0.88582%0.822SS**  trans-153.3113.1155.9-98.6166.5000107.5
565T26.3Very low29.6Very low119 Ų119156 Ų15673%0.7381%0.808SS**  trans-62.2135.3169.441.10000111
566M24Very low29.7Very low189 Ų189156.2 Ų156.293%0.93181%0.812SS**  trans-159.3143.7144.1-91.4-51.9-151.400111.2
567V29.6Very low30.1Very low130 Ų130157.9 Ų157.979%0.78882%0.818SS**PPolyproline II helixtrans-76.4158.3-168.3168.20000111.6
568P28.2Very low30.3Very low125 Ų125161.1 Ų161.181%0.81285%0.85SS**PPolyproline II helixtrans-79.3146.1-165.731.4-33.5000113.2
569S27.3Very low30Very low111 Ų111159.3 Ų159.378%0.77685%0.849SS**PPolyproline II helixtrans-98.9124171.3166.10000109.6
570E27.4Very low30Very low178 Ų178154.6 Ų154.683%0.83284%0.844SS**  -179.9116.7118.1-98.8175.7-167.600109.4
571K28.4Very low30.1Very low182 Ų182148.8 Ų148.879%0.79184%0.837SS**  trans-171.3130.4130.9-103.3-176.9178.7-149.20111.7
572E29.8Very low30.4Very low152 Ų152152.8 Ų152.871%0.7184%0.838SS**  trans90.1117.6136.4-80.5173-156.800121.6
573V30.7Very low30.6Very low126 Ų126157.4 Ų157.476%0.76484%0.839SS**  trans96.493.9135-178.40000117.5
574E31.6Very low30.9Very low181 Ų181159.5 Ų159.585%0.84684%0.838SS**  21.1160112.6-87.9-154.9154.600122.4
575P38.8Very low31.1Very low91 Ų91158.9 Ų158.959%0.59184%0.835SS**  trans-112.9-179.6-151.744.5-34000114.2
576K34.6Very low31.5Very low190 Ų190161.9 Ų161.983%0.82684%0.843SS**  trans60.8120.7148.4-74.5168.8-178.8-176.20118.4C578K576-C578 PolarHBondContact O-N 3.09Å
577R43.8Very low32.1Very low250 Ų250159.7 Ų159.794%0.94384%0.836SS**  trans-78.1108.8139.1-82.3-176.6174.8-179.7-0.9108.5
578C35.4Very low32.4Very low200 Ų200162.4 Ų162.4100%1.35184%0.84SS**  177.90126-98.20000108.7K576K576-C578 PolarHBondContact O-N 3.09Å

Retrieved 578 of 578 residues in 279.8 ms (Link to these results)

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