A0A3Q0KKC7_SCHMA Loading...

Mitochondrial carrier protein, putative

AlphaFold DB (A0A5K4EJX7), UniProt , Accession A0A3Q0KKC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M33Very low48.1Very low238 Ų238108.5 Ų108.5100%1.17258%0.584SS**  016.80-132.4160.5-174.800113.6
2S35Very low50.8Low101 Ų101100.3 Ų100.371%0.70655%0.545SS*.  trans-97.9-6.8-170.744.80000115.7
3V37.5Very low53.5Low108 Ų10894.2 Ų94.266%0.65551%0.514SS*.SBendtrans-83-20.4-174.3-175.80000112.7
4V38.4Very low55.8Low90 Ų9097.1 Ų97.155%0.54551%0.514SS..SBendtrans-80.1-29.5-177.2-177.30000112N6V4-N6 PolarHBondContact O-N 3.04Å
5N36.7Very low57.9Low135 Ų13596.9 Ų96.972%0.72250%0.504SS*.THydrogen-bonded Turntrans-83.6-6.5-172.7-148.217.5000114.7
6N37.7Very low60Low84 Ų8491.2 Ų91.245%0.44947%0.474SS..THydrogen-bonded Turntrans-94.8-3.8-179.8-133.510.3000113.3V4 S8V4-N6 PolarHBondContact O-N 3.04Å; N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.18Å
7R43.8Very low61.7Low99 Ų9985.9 Ų85.937%0.37445%0.447SS..THydrogen-bonded Turntrans-65.2-35-178-72-174.3-178.4-175.93112.9K9 D197 F280R7-K9 PolarHBondContact O-N 3.35Å; R7-D197 PolarHBondContact NH1-O 2.88Å; R7-F280 HydrophobicContact CG-CD2 4.5Å; R7-F280 HydrophobicContact CG-CE2 4.36Å
8S52.6Low63.4Low92 Ų9281.2 Ų81.264%0.64342%0.423SS*.THydrogen-bonded Turntrans-85-6.3-171.858.90000115.1N6N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.18Å
9K62.6Low64.9Low130 Ų13079.6 Ų79.657%0.56542%0.417SS*.THydrogen-bonded Turntrans-103.6-17.2-171.6-73.7-169.6177.8-174.70115.1R7 L285 P286R7-K9 PolarHBondContact O-N 3.35Å; K9-L285 HydrophobicContact CB-CD2 3.98Å; K9-P286 WeakPolarHBondContact O-CD 3.36Å
10K74.2Confident66.3Low65 Ų6575.7 Ų75.728%0.28340%0.396SS..PPolyproline II helixtrans-77.7130.6-177.5-70.9-173.3176.4-170.40110.9I279 F280 H284 L285K10-I279 HydrophobicContact CB-CG2 4.12Å; K10-I279 WeakPolarHBondContact CD-O 2.87Å; K10-I279 VanDerWaalsContact O-CG2 3.28Å; K10-I279 WeakPolarHBondContact O-CG2 3.37Å; K10-F280 WeakPolarHBondContact CD-O 3.46Å; K10-F280 PolarHBondContact NZ-O 3.35Å; K10-H284 CarbonylContact C-O 3.59Å; K10-H284 WeakPolarHBondContact CA-O 3.49Å; K10-L285 HydrophobicContact CG-CD2 4.33Å
11V77.5Confident67.6Low51 Ų5172 Ų7231%0.30938%0.377SS..BIsolated β-bridgetrans-97.7130.9175.5-178.20000108.7Q91 G283 H284 P286V11-Q91 HydrophobicContact CG1-CG 3.77Å; V11-G283 WeakPolarHBondContact O-CA 3.41Å; V11-H284 PolarHBondContact N-O 3.1Å; V11-H284 PolarHBondContact O-N 2.81Å; V11-P286 HydrophobicContact CG2-CB 4.1Å; V11-P286 HydrophobicContact CG2-CG 4.2Å
12G80.2Confident70.4Confident11 Ų1161.3 Ų61.311%0.11333%0.327CS..PPolyproline II helixtrans-74.6143.117600000112.3Q91G12-Q91 PolarHBondContact O-NE2 3.03Å
13S86.4Confident73.2Confident21 Ų2160.4 Ų60.415%0.14731%0.312CS..PPolyproline II helixtrans-68.5149.3169-70.90000110.9Y15 F16S13-Y15 PolarHBondContact O-N 3.5Å; S13-F16 WeakPolarHBondContact O-CB 3.4Å; S13-F16 PolarHBondContact O-N 3.46Å
14W85.3Confident75.8Confident135 Ų13555.2 Ų55.251%0.51128%0.281SS..THydrogen-bonded Turntrans-53.6-28.9-178.360.9-96000114M80W14-M80 HydrophobicContact CE3-CG 4.27Å; W14-M80 HydrophobicContact CH2-SD 4.39Å; W14-M80 HydrophobicContact CZ3-CG 3.8Å; W14-M80 HydrophobicContact CZ3-SD 3.79Å
15Y88.4Confident78.2Confident93 Ų9351 Ų5137%0.36526%0.255SS..THydrogen-bonded Turntrans-83.4-13.1179.661.8-94.7000114.2S13 G17 G18 V19S13-Y15 PolarHBondContact O-N 3.5Å; Y15-G17 VanDerWaalsContact C-N 3.26Å; Y15-G17 PolarHBondContact O-N 2.82Å; Y15-G18 PolarHBondContact O-N 3.02Å; Y15-V19 HydrophobicContact CD2-CG2 4.19Å; Y15-V19 PolarHBondContact O-N 2.79Å; Y15-V19 VanDerWaalsContact O-N 3.11Å
16F91.2Very high80.8Confident6 Ų646.1 Ų46.13%0.02623%0.233CC..Hα-helixtrans-59.7-37.6-177.1-74.72000112S13 G18 V19 A20 L275 L278 I279 F282S13-F16 WeakPolarHBondContact O-CB 3.4Å; S13-F16 PolarHBondContact O-N 3.46Å; F16-G18 VanDerWaalsContact C-N 3.31Å; F16-G18 PolarHBondContact O-N 3.41Å; F16-V19 PolarHBondContact O-N 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.15Å; F16-A20 PolarHBondContact O-N 3.17Å; F16-L275 HydrophobicContact CB-CD1 3.65Å; F16-L278 HydrophobicContact CB-CB 4.39Å; F16-L278 HydrophobicContact CB-CD1 4.36Å; F16-L278 HydrophobicContact CD2-CB 3.91Å; F16-L278 HydrophobicContact CE2-CB 4.33Å; F16-L278 WeakPolarHBondContact CE2-O 3.43Å; F16-L278 HydrophobicContact CG-CB 4.12Å; F16-I279 HydrophobicContact CD2-CG1 4Å; F16-F282 HydrophobicContact CE1-CB 4.5Å; F16-F282 HydrophobicContact CE2-CB 4.3Å; F16-F282 HydrophobicContact CZ-CB 3.71Å
17G89Confident83.3Confident2 Ų245.7 Ų45.72%0.02124%0.236CC..Hα-helixtrans-64.1-34.4176.700000113.6Y15 S21Y15-G17 VanDerWaalsContact C-N 3.26Å; Y15-G17 PolarHBondContact O-N 2.82Å; G17-S21 VanDerWaalsContact O-CB 3.28Å; G17-S21 WeakPolarHBondContact O-CB 3.17Å; G17-S21 PolarHBondContact O-N 2.85Å; G17-S21 PolarHBondContact O-OG 2.89Å
18G91.1Very high85.3Confident0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-67.3-47.6173.900000112.1Y15 F16 S21 A22Y15-G18 PolarHBondContact O-N 3.02Å; F16-G18 VanDerWaalsContact C-N 3.31Å; F16-G18 PolarHBondContact O-N 3.41Å; G18-S21 PolarHBondContact O-N 2.83Å; G18-A22 PolarHBondContact O-N 3.17Å
19V93.3Very high86.9Confident52 Ų5237 Ų3732%0.31519%0.19SC..Hα-helixtrans-63.8-47.5178.1178.10000111.1Y15 F16 S21 A22 M23 L278Y15-V19 HydrophobicContact CD2-CG2 4.19Å; Y15-V19 PolarHBondContact O-N 2.79Å; Y15-V19 VanDerWaalsContact O-N 3.11Å; F16-V19 PolarHBondContact O-N 3.25Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.83Å; V19-A22 WeakPolarHBondContact O-CB 3.42Å; V19-A22 PolarHBondContact O-N 3.05Å; V19-A22 VanDerWaalsContact O-N 3.1Å; V19-M23 HydrophobicContact CG1-SD 4.21Å; V19-M23 WeakPolarHBondContact O-CG 3.4Å; V19-M23 PolarHBondContact O-N 2.86Å; V19-L278 HydrophobicContact CB-CD1 4.17Å; V19-L278 HydrophobicContact CG1-CD1 4.06Å
20A92.9Very high88Confident0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-57.7-42.5176.400000112F16 M23 A24 T271 F274 L275 L278F16-A20 WeakPolarHBondContact O-CB 3.15Å; F16-A20 PolarHBondContact O-N 3.17Å; A20-M23 PolarHBondContact O-N 2.62Å; A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.47Å; A20-T271 HydrophobicContact CB-CG2 4.49Å; A20-T271 WeakPolarHBondContact CB-O 3.47Å; A20-F274 HydrophobicContact CB-CB 3.9Å; A20-L275 HydrophobicContact CB-CB 3.91Å; A20-L278 HydrophobicContact CB-CD1 4.05Å
21S92.3Very high88.3Confident0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-68.3-34.4177.2-59.70000112.4G17 G18 V19 A25 S79 T271G17-S21 VanDerWaalsContact O-CB 3.28Å; G17-S21 WeakPolarHBondContact O-CB 3.17Å; G17-S21 PolarHBondContact O-N 2.85Å; G17-S21 PolarHBondContact O-OG 2.89Å; G18-S21 PolarHBondContact O-N 2.83Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.83Å; S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.38Å; S21-S79 VanDerWaalsContact CB-CB 3.42Å; S21-S79 WeakPolarHBondContact CB-OG 3.31Å; S21-S79 VanDerWaalsContact OG-CB 3.25Å; S21-S79 WeakPolarHBondContact OG-CB 3.26Å; S21-S79 PolarHBondContact OG-OG 3.31Å; S21-T271 VanDerWaalsContact OG-CG2 3.28Å; S21-T271 WeakPolarHBondContact OG-CG2 3.47Å
22A92.8Very high88.2Confident13 Ų1332 Ų3211%0.10717%0.172CC..Hα-helixtrans-68.5-41.6175.100000111.7G18 V19 A25 A26 I72 Q75 L76G18-A22 PolarHBondContact O-N 3.17Å; V19-A22 WeakPolarHBondContact O-CB 3.42Å; V19-A22 PolarHBondContact O-N 3.05Å; V19-A22 VanDerWaalsContact O-N 3.1Å; A22-A25 PolarHBondContact O-N 2.72Å; A22-A26 PolarHBondContact O-N 3.44Å; A22-I72 HydrophobicContact CB-CG2 4.43Å; A22-Q75 HydrophobicContact CB-CB 4.17Å; A22-L76 HydrophobicContact CB-CD2 4.15Å; A22-L76 HydrophobicContact CB-CG 4.45Å
23M93.4Very high88.1Confident81 Ų8131.5 Ų31.540%0.39917%0.167SC..Hα-helixtrans-62.1-46.4172.8-68.2174.467.300111.3V19 A20 A25 A26 C27 F274V19-M23 HydrophobicContact CG1-SD 4.21Å; V19-M23 WeakPolarHBondContact O-CG 3.4Å; V19-M23 PolarHBondContact O-N 2.86Å; A20-M23 PolarHBondContact O-N 2.62Å; M23-A25 VanDerWaalsContact C-N 3.31Å; M23-A25 PolarHBondContact O-N 3.07Å; M23-A26 PolarHBondContact O-N 3.45Å; M23-C27 PolarHBondContact O-N 3.23Å; M23-C27 VanDerWaalsContact O-N 3.16Å; M23-C27 PolarHBondContact O-SG 2.99Å; M23-F274 HydrophobicContact CB-CD2 3.62Å; M23-F274 HydrophobicContact CB-CE2 3.84Å; M23-F274 HydrophobicContact CB-CG 4.3Å; M23-F274 HydrophobicContact CE-CD1 4.19Å; M23-F274 HydrophobicContact CE-CE1 4.41Å; M23-F274 HydrophobicContact CE-CG 4.27Å
24A92.1Very high87.7Confident0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-58.2-45.5175.600000111.2A20 A26 C27 T28 L270 T271 F274A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.47Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A24-A26 PolarHBondContact O-N 3.05Å; A24-C27 PolarHBondContact O-N 3.46Å; A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 3.46Å; A24-T28 PolarHBondContact O-OG1 3.25Å; A24-T28 VanDerWaalsContact O-OG1 3.13Å; A24-L270 HydrophobicContact CB-CB 3.76Å; A24-T271 WeakPolarHBondContact CB-OG1 3.43Å; A24-F274 HydrophobicContact CB-CD2 4.18Å; A24-F274 HydrophobicContact CB-CE2 4.36Å
25A89.1Confident87.1Confident1 Ų126.7 Ų26.71%0.00815%0.147CC..Hα-helixtrans-62.3-40177.100000112.5S21 A22 M23 C27 T28 H29 Q75S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.38Å; A22-A25 PolarHBondContact O-N 2.72Å; M23-A25 VanDerWaalsContact C-N 3.31Å; M23-A25 PolarHBondContact O-N 3.07Å; A25-C27 VanDerWaalsContact C-N 3.28Å; A25-C27 PolarHBondContact O-N 2.82Å; A25-T28 PolarHBondContact O-N 3.28Å; A25-H29 WeakPolarHBondContact O-CA 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.28Å; A25-H29 PolarHBondContact O-N 2.92Å; A25-Q75 HydrophobicContact CB-CG 3.6Å
26A90.7Very high86.1Confident32 Ų3223.3 Ų23.326%0.26414%0.136SC..Hα-helixtrans-59.3-40.5175.700000111.7A22 M23 A24 I68A22-A26 PolarHBondContact O-N 3.44Å; M23-A26 PolarHBondContact O-N 3.45Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A24-A26 PolarHBondContact O-N 3.05Å; A26-I68 HydrophobicContact CB-CD1 4.47Å
27C90.4Very high85.2Confident76 Ų7623.6 Ų23.651%0.51414%0.138SC..Hα-helixtrans-71.5-36.4176.2-62.20000113.3M23 A24 A25 L270M23-C27 PolarHBondContact O-N 3.23Å; M23-C27 VanDerWaalsContact O-N 3.16Å; M23-C27 PolarHBondContact O-SG 2.99Å; A24-C27 PolarHBondContact O-N 3.46Å; A25-C27 VanDerWaalsContact C-N 3.28Å; A25-C27 PolarHBondContact O-N 2.82Å; C27-L270 HydrophobicContact CB-CD1 3.96Å
28T86.6Confident84.4Confident7 Ų725.8 Ų25.84%0.04315%0.149CC..Hα-helixtrans-93.4-4.1-176.963.60000114.2A24 A25 P30 L31 D32 H267 L270A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 3.46Å; A24-T28 PolarHBondContact O-OG1 3.25Å; A24-T28 VanDerWaalsContact O-OG1 3.13Å; A25-T28 PolarHBondContact O-N 3.28Å; T28-P30 VanDerWaalsContact C-CD 3.45Å; T28-P30 VanDerWaalsContact C-N 3.35Å; T28-L31 WeakPolarHBondContact O-CB 3.48Å; T28-L31 PolarHBondContact O-N 3.11Å; T28-D32 PolarHBondContact O-N 3.26Å; T28-D32 VanDerWaalsContact O-N 3.08Å; T28-H267 HydrophobicContact CG2-CB 4.28Å; T28-L270 HydrophobicContact CG2-CD1 3.65Å
29H85.1Confident83.2Confident0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-55.7-39.9-174.3-164.878000113.6A25 L31 D32 L33 F64 Y65 N66 I68 S71A25-H29 WeakPolarHBondContact O-CA 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.28Å; A25-H29 PolarHBondContact O-N 2.92Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 3.04Å; H29-D32 PolarHBondContact O-N 2.94Å; H29-L33 WeakPolarHBondContact O-CB 3.25Å; H29-L33 PolarHBondContact O-N 3Å; H29-F64 PolarHBondContact CD2-O 3.14Å; H29-Y65 HydrophobicContact CB-CD1 4.49Å; H29-N66 PolarHBondContact NE2-O 3.35Å; H29-I68 PolarHBondContact NE2-N 2.71Å; H29-S71 PolarHBondContact CE1-OG 3.43Å; H29-S71 VanDerWaalsContact ND1-CB 3.34Å; H29-S71 WeakPolarHBondContact ND1-CB 3.25Å; H29-S71 PolarHBondContact ND1-OG 3.16Å
30P84.9Confident81.8Confident29 Ų2931 Ų3119%0.18818%0.175CC..Hα-helixtrans-57.6-40.3174.5-2736.4000113.4T28 L33 I34 F64 Y65T28-P30 VanDerWaalsContact C-CD 3.45Å; T28-P30 VanDerWaalsContact C-N 3.35Å; P30-L33 PolarHBondContact O-N 2.83Å; P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.46Å; P30-I34 PolarHBondContact O-N 3.18Å; P30-I34 VanDerWaalsContact O-N 3.1Å; P30-F64 HydrophobicContact CB-CB 4.02Å; P30-F64 HydrophobicContact CB-CD1 4.09Å; P30-F64 HydrophobicContact CB-CG 4.3Å; P30-F64 HydrophobicContact CG-CB 4.19Å; P30-Y65 HydrophobicContact CG-CE1 4.35Å; P30-Y65 HydrophobicContact CG-CE2 4.38Å
31L81.3Confident80.5Confident90 Ų9033.3 Ų33.347%0.47119%0.185SC..Hα-helixtrans-69.1-41.2177.8-65.5173.5000111.3T28 H29 L33 I34 K35T28-L31 WeakPolarHBondContact O-CB 3.48Å; T28-L31 PolarHBondContact O-N 3.11Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 3.04Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-I34 PolarHBondContact O-N 3.33Å; L31-K35 VanDerWaalsContact O-CB 3.28Å; L31-K35 WeakPolarHBondContact O-CB 3.13Å; L31-K35 PolarHBondContact O-N 2.87Å
32D75.9Confident78.8Confident23 Ų2343 Ų4312%0.12323%0.23CC..Hα-helixtrans-62.1-42.6176.4-79.7-30.3000111.2T28 H29 K35 V36T28-D32 PolarHBondContact O-N 3.26Å; T28-D32 VanDerWaalsContact O-N 3.08Å; H29-D32 PolarHBondContact O-N 2.94Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-V36 PolarHBondContact O-N 3.49Å
33L77.4Confident77.2Confident0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-62.8-49.3177.9-174.1144.6000111.8H29 P30 L31 K35 V36 H37 V55 A63 N66 M131H29-L33 WeakPolarHBondContact O-CB 3.25Å; H29-L33 PolarHBondContact O-N 3Å; P30-L33 PolarHBondContact O-N 2.83Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 3.1Å; L33-V36 PolarHBondContact O-N 3.35Å; L33-H37 WeakPolarHBondContact O-CB 2.93Å; L33-H37 PolarHBondContact O-N 2.91Å; L33-H37 PolarHBondContact O-ND1 2.97Å; L33-V55 HydrophobicContact CD2-CG1 4.26Å; L33-V55 HydrophobicContact CD2-CG2 4.37Å; L33-A63 WeakPolarHBondContact CD1-O 3.41Å; L33-N66 HydrophobicContact CD1-CB 4.33Å; L33-M131 HydrophobicContact CD1-CE 4.21Å
34I77.7Confident75.8Confident17 Ų1756.4 Ų56.49%0.08728%0.284CS..Hα-helixtrans-58.2-39.4176.9-66.6166.8000110.2P30 L31 H37 L38 M48 M51 F64P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.46Å; P30-I34 PolarHBondContact O-N 3.18Å; P30-I34 VanDerWaalsContact O-N 3.1Å; L31-I34 PolarHBondContact O-N 3.33Å; I34-H37 CarbonylContact O-C 3.54Å; I34-H37 WeakPolarHBondContact O-CA 3.31Å; I34-H37 WeakPolarHBondContact O-CB 3.34Å; I34-H37 PolarHBondContact O-N 2.87Å; I34-L38 HydrophobicContact CG2-CD1 4.34Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 2.91Å; I34-M48 HydrophobicContact CG2-CG 3.77Å; I34-M51 HydrophobicContact CG2-CB 4.05Å; I34-M51 HydrophobicContact CG2-CG 4.02Å; I34-F64 HydrophobicContact CD1-CD1 4.44Å; I34-F64 HydrophobicContact CD1-CE1 3.87Å; I34-F64 HydrophobicContact CG1-CD1 4.36Å; I34-F64 HydrophobicContact CG1-CE1 3.94Å
35K73.4Confident74.3Confident38 Ų3863.2 Ų63.217%0.16532%0.316CS..Hα-helixtrans-69-44.3-179.3-178.4-109.3-175.6-176.50112.4L31 D32 L33 H37 L38 Q39 R263L31-K35 VanDerWaalsContact O-CB 3.28Å; L31-K35 WeakPolarHBondContact O-CB 3.13Å; L31-K35 PolarHBondContact O-N 2.87Å; D32-K35 PolarHBondContact O-N 3.04Å; L33-K35 PolarHBondContact O-N 3.1Å; K35-H37 PolarHBondContact O-N 3.46Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-L38 VanDerWaalsContact O-N 3.15Å; K35-Q39 VanDerWaalsContact CE-NE2 3.25Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.39Å; K35-R263 VanDerWaalsContact CD-CD 3.45Å
36V68.4Low73.1Confident22 Ų2266.1 Ų66.113%0.13333%0.329CS..Hα-helixtrans-60.1-38.1171.4171.30000109.9D32 L33 L38 Q39 T40 Q128 N129D32-V36 PolarHBondContact O-N 3.49Å; L33-V36 PolarHBondContact O-N 3.35Å; V36-L38 PolarHBondContact O-N 3.33Å; V36-Q39 PolarHBondContact O-N 3.5Å; V36-T40 PolarHBondContact O-N 3.14Å; V36-T40 PolarHBondContact O-OG1 3.34Å; V36-Q128 HydrophobicContact CB-CB 4.47Å; V36-Q128 HydrophobicContact CG1-CB 4Å; V36-N129 WeakPolarHBondContact CG1-OD1 3.29Å
37H71.3Confident72.4Confident12 Ų1266.6 Ų66.66%0.05634%0.337CS..Hα-helixtrans-62.7-39174.6-78.364.1000113.4L33 I34 K35 Q41 M51 Q128 K132L33-H37 WeakPolarHBondContact O-CB 2.93Å; L33-H37 PolarHBondContact O-N 2.91Å; L33-H37 PolarHBondContact O-ND1 2.97Å; I34-H37 CarbonylContact O-C 3.54Å; I34-H37 WeakPolarHBondContact O-CA 3.31Å; I34-H37 WeakPolarHBondContact O-CB 3.34Å; I34-H37 PolarHBondContact O-N 2.87Å; K35-H37 PolarHBondContact O-N 3.46Å; H37-Q41 WeakPolarHBondContact O-CG 3.37Å; H37-M51 HydrophobicContact CB-CE 4.37Å; H37-M51 HydrophobicContact CB-CG 3.9Å; H37-M51 HydrophobicContact CB-SD 3.91Å; H37-Q128 PolarHBondContact CE1-O 2.91Å; H37-K132 VanDerWaalsContact CA-CE 3.47Å; H37-K132 VanDerWaalsContact CA-NZ 3.33Å; H37-K132 WeakPolarHBondContact CD2-CE 3.49Å; H37-K132 PolarHBondContact O-NZ 2.95Å
38L71.8Confident71.6Confident48 Ų4867.2 Ų67.225%0.25133%0.333SS..Hα-helixtrans-70.1-41.8174.3-72.9170.7000112.5I34 K35 V36 T40 Q41 F46 M48 M51I34-L38 HydrophobicContact CG2-CD1 4.34Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 2.91Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-L38 VanDerWaalsContact O-N 3.15Å; V36-L38 PolarHBondContact O-N 3.33Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; L38-Q41 PolarHBondContact O-N 2.77Å; L38-F46 WeakPolarHBondContact CD2-O 3.06Å; L38-M48 HydrophobicContact CD1-CB 3.93Å; L38-M48 HydrophobicContact CD1-CE 4.38Å; L38-M48 HydrophobicContact CD1-CG 4.31Å; L38-M51 HydrophobicContact CD2-CB 4.16Å; L38-M51 HydrophobicContact CD2-CE 4.19Å; L38-M51 HydrophobicContact CG-CB 4.46Å
39Q65.4Low71.4Confident99 Ų9972.4 Ų72.446%0.46336%0.364SS..Hα-helixtrans-69.1-30.1-174.5-74.4-168.9-43.100113.5K35 V36K35-Q39 VanDerWaalsContact CE-NE2 3.25Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact O-N 3.5Å
40T65.1Low71.3Confident64 Ų6474.9 Ų74.939%0.39338%0.381SS..THydrogen-bonded Turntrans-98.913.7178.358.40000112.6V36 L38 N129 K132V36-T40 PolarHBondContact O-N 3.14Å; V36-T40 PolarHBondContact O-OG1 3.34Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; T40-N129 WeakPolarHBondContact CB-OD1 3.34Å; T40-N129 VanDerWaalsContact CG2-OD1 3.28Å; T40-N129 WeakPolarHBondContact CG2-OD1 3.27Å; T40-N129 PolarHBondContact OG1-OD1 2.85Å; T40-K132 WeakPolarHBondContact OG1-CD 3.22Å; T40-K132 WeakPolarHBondContact OG1-CE 3.41Å; T40-K132 PolarHBondContact OG1-NZ 3.16Å
41Q65.5Low71Confident47 Ų4773.7 Ų73.722%0.2237%0.374CS..  trans-76125.5166.4-58.7-150.9-7400110.3H37 L38 K43 F46 M51H37-Q41 WeakPolarHBondContact O-CG 3.37Å; L38-Q41 PolarHBondContact O-N 2.77Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-F46 VanDerWaalsContact NE2-CD2 3.3Å; Q41-M51 HydrophobicContact CG-CE 3.88Å
42Q56.4Low71.1Confident203 Ų20370 Ų7095%0.94936%0.357SS*.SBendtrans-70.4-28.6175.2-69-175.7-10.100112.9
43K58.9Low71.5Confident158 Ų15872.7 Ų72.769%0.68737%0.371SS*.SBendtrans-122.6132.4174.6-69.9-178178.6178.90109.3Q41 Q45Q41-K43 VanDerWaalsContact C-N 3.33Å; K43-Q45 HydrophobicContact CB-CG 4.09Å; K43-Q45 PolarHBondContact O-N 2.95Å
44K63.7Low71.8Confident219 Ų21977.1 Ų77.195%0.95239%0.387SS*.  trans-67.475.2174.5-81.1-174.2175.1-179.70110.5
45Q61.8Low71.9Confident143 Ų14376.5 Ų76.567%0.66838%0.384SS*.  trans-97.2-23.8179.3-72.4-156.3-31.600113.1K43K43-Q45 HydrophobicContact CB-CG 4.09Å; K43-Q45 PolarHBondContact O-N 2.95Å
46F64.5Low72.5Confident62 Ų6282 Ų8227%0.27240%0.404SS..  trans-128.2140.5-174.6-57.6-90000111L38 Q41 M51 R54L38-F46 WeakPolarHBondContact CD2-O 3.06Å; Q41-F46 VanDerWaalsContact NE2-CD2 3.3Å; F46-M51 HydrophobicContact CB-CB 4.36Å; F46-M51 HydrophobicContact CB-CE 3.81Å; F46-M51 HydrophobicContact CD2-CE 4.24Å; F46-M51 HydrophobicContact CG-CE 4.21Å; F46-R54 VanDerWaalsContact CZ-NH1 3.28Å
47G74.8Confident73.3Confident42 Ų4289.3 Ų89.343%0.43343%0.434SS..  trans-83.5175.8164.200000110.6V49 S50 M51G47-V49 PolarHBondContact O-N 3.18Å; G47-S50 PolarHBondContact N-OG 3.27Å; G47-S50 PolarHBondContact O-N 3.22Å; G47-S50 PolarHBondContact O-OG 3.27Å; G47-M51 VanDerWaalsContact O-CB 3.3Å; G47-M51 WeakPolarHBondContact O-CB 3.21Å; G47-M51 PolarHBondContact O-N 2.94Å
48M74.7Confident73.8Confident89 Ų8994.6 Ų94.644%0.43846%0.459SS..Hα-helixtrans-59.7-45-177.3-173.5174.4-94.900113.1I34 L38 M51 G52I34-M48 HydrophobicContact CG2-CG 3.77Å; L38-M48 HydrophobicContact CD1-CB 3.93Å; L38-M48 HydrophobicContact CD1-CE 4.38Å; L38-M48 HydrophobicContact CD1-CG 4.31Å; M48-M51 PolarHBondContact O-N 3.06Å; M48-G52 PolarHBondContact O-N 3.28Å
49V82.2Confident74.1Confident115 Ų11595.9 Ų95.970%0.69747%0.466SS*.Hα-helixtrans-67.5-45.7179.4-179.50000111.1G47 M51 G52 I53G47-V49 PolarHBondContact O-N 3.18Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 2.74Å; V49-G52 PolarHBondContact O-N 2.75Å; V49-G52 VanDerWaalsContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 WeakPolarHBondContact O-CG1 3.19Å; V49-I53 PolarHBondContact O-N 2.66Å
50S82.6Confident75Confident52 Ų5292.4 Ų92.436%0.36446%0.457SS..Hα-helixtrans-68-31.1179.755.60000112.5G47 R54G47-S50 PolarHBondContact N-OG 3.27Å; G47-S50 PolarHBondContact O-N 3.22Å; G47-S50 PolarHBondContact O-OG 3.27Å; S50-R54 VanDerWaalsContact O-CB 3.32Å; S50-R54 WeakPolarHBondContact O-CB 3.32Å; S50-R54 PolarHBondContact O-N 3.28Å
51M78.7Confident75.9Confident5 Ų593.6 Ų93.63%0.02546%0.464CS..Hα-helixtrans-65.2-45.2169.7-173.960.370.900111.7I34 H37 L38 Q41 F46 G47 M48 V49 I53 R54 V55I34-M51 HydrophobicContact CG2-CB 4.05Å; I34-M51 HydrophobicContact CG2-CG 4.02Å; H37-M51 HydrophobicContact CB-CE 4.37Å; H37-M51 HydrophobicContact CB-CG 3.9Å; H37-M51 HydrophobicContact CB-SD 3.91Å; L38-M51 HydrophobicContact CD2-CB 4.16Å; L38-M51 HydrophobicContact CD2-CE 4.19Å; L38-M51 HydrophobicContact CG-CB 4.46Å; Q41-M51 HydrophobicContact CG-CE 3.88Å; F46-M51 HydrophobicContact CB-CB 4.36Å; F46-M51 HydrophobicContact CB-CE 3.81Å; F46-M51 HydrophobicContact CD2-CE 4.24Å; F46-M51 HydrophobicContact CG-CE 4.21Å; G47-M51 VanDerWaalsContact O-CB 3.3Å; G47-M51 WeakPolarHBondContact O-CB 3.21Å; G47-M51 PolarHBondContact O-N 2.94Å; M48-M51 PolarHBondContact O-N 3.06Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 2.74Å; M51-I53 PolarHBondContact O-N 2.61Å; M51-R54 WeakPolarHBondContact O-CB 3.21Å; M51-R54 PolarHBondContact O-N 3.27Å; M51-V55 WeakPolarHBondContact O-CG2 3.49Å; M51-V55 PolarHBondContact O-N 3.48Å
52G82.4Confident76.7Confident11 Ų1198.3 Ų98.311%0.11349%0.49CS..Hα-helixtrans-58.7-47.4175.600000112.2M48 V49 R54 V55 W56 F64M48-G52 PolarHBondContact O-N 3.28Å; V49-G52 PolarHBondContact O-N 2.75Å; V49-G52 VanDerWaalsContact O-N 3.16Å; G52-R54 VanDerWaalsContact C-N 3.29Å; G52-R54 PolarHBondContact O-N 2.93Å; G52-V55 PolarHBondContact O-N 3.41Å; G52-W56 PolarHBondContact O-N 2.96Å; G52-F64 WeakPolarHBondContact O-CZ 3.29Å
53I85.1Confident77.8Confident81 Ų8188.8 Ų88.842%0.41545%0.446SS..Hα-helixtrans-60.5-40.6176.3-66167.2000111V49 M51 W56 K57V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 WeakPolarHBondContact O-CG1 3.19Å; V49-I53 PolarHBondContact O-N 2.66Å; M51-I53 PolarHBondContact O-N 2.61Å; I53-W56 PolarHBondContact O-N 2.81Å; I53-K57 HydrophobicContact CG2-CD 4.08Å; I53-K57 HydrophobicContact CG2-CG 4.32Å; I53-K57 WeakPolarHBondContact O-CB 3.46Å; I53-K57 WeakPolarHBondContact O-CG 3.04Å; I53-K57 PolarHBondContact O-N 3.37Å
54R83.3Confident78.9Confident93 Ų9382.7 Ų82.735%0.35142%0.419SS..Hα-helixtrans-62.6-48.7177.9178.5178.3174.4169-0.3111.9F46 S50 M51 G52 W56 K57 Q58F46-R54 VanDerWaalsContact CZ-NH1 3.28Å; S50-R54 VanDerWaalsContact O-CB 3.32Å; S50-R54 WeakPolarHBondContact O-CB 3.32Å; S50-R54 PolarHBondContact O-N 3.28Å; M51-R54 WeakPolarHBondContact O-CB 3.21Å; M51-R54 PolarHBondContact O-N 3.27Å; G52-R54 VanDerWaalsContact C-N 3.29Å; G52-R54 PolarHBondContact O-N 2.93Å; R54-W56 VanDerWaalsContact C-N 3.29Å; R54-W56 PolarHBondContact O-N 3.03Å; R54-K57 PolarHBondContact O-N 3.38Å; R54-Q58 HydrophobicContact CG-CG 4.23Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 WeakPolarHBondContact O-CG 3.19Å; R54-Q58 PolarHBondContact O-N 3.49Å
55V80.6Confident79.9Confident4 Ų477.1 Ų77.12%0.02439%0.393CS..Hα-helixtrans-59-45.3177.9172.20000110L33 M51 G52 K57 Q58 D59 G60 A63 F64L33-V55 HydrophobicContact CD2-CG1 4.26Å; L33-V55 HydrophobicContact CD2-CG2 4.37Å; M51-V55 WeakPolarHBondContact O-CG2 3.49Å; M51-V55 PolarHBondContact O-N 3.48Å; G52-V55 PolarHBondContact O-N 3.41Å; V55-K57 PolarHBondContact O-N 2.78Å; V55-Q58 PolarHBondContact O-N 3.46Å; V55-D59 PolarHBondContact O-N 2.89Å; V55-G60 PolarHBondContact O-N 3.44Å; V55-A63 HydrophobicContact CG1-CB 3.96Å; V55-F64 HydrophobicContact CB-CE1 4.08Å; V55-F64 HydrophobicContact CB-CZ 4.12Å; V55-F64 HydrophobicContact CG1-CD1 4.15Å; V55-F64 HydrophobicContact CG1-CE1 3.9Å; V55-F64 HydrophobicContact CG1-CE2 4.38Å; V55-F64 HydrophobicContact CG1-CG 4.49Å; V55-F64 HydrophobicContact CG1-CZ 4.03Å
56W85.7Confident80.7Confident154 Ų15473.5 Ų73.558%0.58338%0.378SS*.Hα-helixtrans-61.9-44178-176.624.6000112.6G52 I53 R54 G60 F64G52-W56 PolarHBondContact O-N 2.96Å; I53-W56 PolarHBondContact O-N 2.81Å; R54-W56 VanDerWaalsContact C-N 3.29Å; R54-W56 PolarHBondContact O-N 3.03Å; W56-G60 VanDerWaalsContact O-CA 3.25Å; W56-G60 WeakPolarHBondContact O-CA 3.31Å; W56-G60 PolarHBondContact O-N 3.23Å; W56-G60 VanDerWaalsContact O-N 3.14Å; W56-F64 HydrophobicContact CB-CE2 3.93Å; W56-F64 HydrophobicContact CB-CZ 4.12Å
57K85.3Confident81.5Confident174 Ų17471 Ų7176%0.75737%0.369SS*.Hα-helixtrans-72.3-34.3-179.5-75.7-170.8175.7-170.50113.9I53 R54 V55I53-K57 HydrophobicContact CG2-CD 4.08Å; I53-K57 HydrophobicContact CG2-CG 4.32Å; I53-K57 WeakPolarHBondContact O-CB 3.46Å; I53-K57 WeakPolarHBondContact O-CG 3.04Å; I53-K57 PolarHBondContact O-N 3.37Å; R54-K57 PolarHBondContact O-N 3.38Å; V55-K57 PolarHBondContact O-N 2.78Å
58Q82.4Confident82.1Confident123 Ų12371.5 Ų71.558%0.57536%0.362SS*.Hα-helixtrans-87.6-44.7-176.1-69.4-166.8-5300112.6R54 V55R54-Q58 HydrophobicContact CG-CG 4.23Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 WeakPolarHBondContact O-CG 3.19Å; R54-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 PolarHBondContact O-N 3.46Å
59D78Confident82.9Confident75 Ų7569.2 Ų69.240%0.40135%0.354SS..Hα-helixtrans-118.4-5.5-168.1-57.7-48.1000112.9V55 A63V55-D59 PolarHBondContact O-N 2.89Å; D59-A63 HydrophobicContact CB-CB 3.28Å
60G83.4Confident83.1Confident27 Ų2763.7 Ų63.728%0.27832%0.321SS..  trans82.2-178.6179.400000114.6V55 W56 A63V55-G60 PolarHBondContact O-N 3.44Å; W56-G60 VanDerWaalsContact O-CA 3.25Å; W56-G60 WeakPolarHBondContact O-CA 3.31Å; W56-G60 PolarHBondContact O-N 3.23Å; W56-G60 VanDerWaalsContact O-N 3.14Å; G60-A63 WeakPolarHBondContact O-CB 3.33Å; G60-A63 PolarHBondContact O-N 2.85Å
61V83.4Confident83.4Confident89 Ų8961.2 Ų61.254%0.53930%0.304SS..G310 helixtrans-69.9-34-175-179.50000112.1A63 F64V61-A63 PolarHBondContact O-N 2.99Å; V61-F64 WeakPolarHBondContact O-CD2 3.39Å; V61-F64 PolarHBondContact O-N 3.4Å
62L83.2Confident84Confident145 Ų14563.7 Ų63.776%0.75932%0.317SS*.G310 helixtrans-66.8-23.3179.5-65.8177.2000112.3F64 Y65L62-F64 PolarHBondContact O-N 2.87Å; L62-Y65 PolarHBondContact O-N 3.24Å
63A79.8Confident84.6Confident3 Ų365.1 Ų65.13%0.02532%0.321CS..G310 helixtrans-62.2-27.8178.300000113.1L33 V55 D59 G60 V61 Y65 N66 M131L33-A63 WeakPolarHBondContact CD1-O 3.41Å; V55-A63 HydrophobicContact CG1-CB 3.96Å; D59-A63 HydrophobicContact CB-CB 3.28Å; G60-A63 WeakPolarHBondContact O-CB 3.33Å; G60-A63 PolarHBondContact O-N 2.85Å; V61-A63 PolarHBondContact O-N 2.99Å; A63-Y65 PolarHBondContact O-N 2.75Å; A63-Y65 VanDerWaalsContact O-N 3.16Å; A63-N66 WeakPolarHBondContact O-CB 3.46Å; A63-N66 PolarHBondContact O-N 2.9Å; A63-N66 VanDerWaalsContact O-N 3.14Å; A63-M131 HydrophobicContact CB-CE 4.32Å
64F82.3Confident84.8Confident30 Ų3063.1 Ų63.113%0.13231%0.308CS..G310 helixtrans-62.4-19.5173.6-71.2-71000113.3H29 P30 I34 G52 V55 W56 V61 L62H29-F64 PolarHBondContact CD2-O 3.14Å; P30-F64 HydrophobicContact CB-CB 4.02Å; P30-F64 HydrophobicContact CB-CD1 4.09Å; P30-F64 HydrophobicContact CB-CG 4.3Å; P30-F64 HydrophobicContact CG-CB 4.19Å; I34-F64 HydrophobicContact CD1-CD1 4.44Å; I34-F64 HydrophobicContact CD1-CE1 3.87Å; I34-F64 HydrophobicContact CG1-CD1 4.36Å; I34-F64 HydrophobicContact CG1-CE1 3.94Å; G52-F64 WeakPolarHBondContact O-CZ 3.29Å; V55-F64 HydrophobicContact CB-CE1 4.08Å; V55-F64 HydrophobicContact CB-CZ 4.12Å; V55-F64 HydrophobicContact CG1-CD1 4.15Å; V55-F64 HydrophobicContact CG1-CE1 3.9Å; V55-F64 HydrophobicContact CG1-CE2 4.38Å; V55-F64 HydrophobicContact CG1-CG 4.49Å; V55-F64 HydrophobicContact CG1-CZ 4.03Å; W56-F64 HydrophobicContact CB-CE2 3.93Å; W56-F64 HydrophobicContact CB-CZ 4.12Å; V61-F64 WeakPolarHBondContact O-CD2 3.39Å; V61-F64 PolarHBondContact O-N 3.4Å; L62-F64 PolarHBondContact O-N 2.87Å
65Y84.7Confident85.2Confident102 Ų10258.8 Ų58.840%0.429%0.292SS..G310 helixtrans-103.76.8178.9-69-80.3000113.8H29 P30 L62 A63 G67 I68H29-Y65 HydrophobicContact CB-CD1 4.49Å; P30-Y65 HydrophobicContact CG-CE1 4.35Å; P30-Y65 HydrophobicContact CG-CE2 4.38Å; L62-Y65 PolarHBondContact O-N 3.24Å; A63-Y65 PolarHBondContact O-N 2.75Å; A63-Y65 VanDerWaalsContact O-N 3.16Å; Y65-G67 PolarHBondContact O-N 2.66Å; Y65-I68 HydrophobicContact CD1-CD1 3.87Å; Y65-I68 HydrophobicContact CE1-CD1 4.46Å; Y65-I68 VanDerWaalsContact O-CB 3.29Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 WeakPolarHBondContact O-CG2 3.34Å; Y65-I68 PolarHBondContact O-N 2.95Å
66N78.6Confident85.8Confident68 Ų6861.7 Ų61.736%0.36431%0.307SS..THydrogen-bonded Turntrans-62.4131.4173.5-78.7-24.5000110.7H29 L33 A63 M131H29-N66 PolarHBondContact NE2-O 3.35Å; L33-N66 HydrophobicContact CD1-CB 4.33Å; A63-N66 WeakPolarHBondContact O-CB 3.46Å; A63-N66 PolarHBondContact O-N 2.9Å; A63-N66 VanDerWaalsContact O-N 3.14Å; N66-M131 HydrophobicContact CB-CE 3.82Å; N66-M131 HydrophobicContact CB-SD 3.57Å; N66-M131 VanDerWaalsContact CB-SD 3.57Å; N66-M131 WeakPolarHBondContact ND2-CE 3.26Å; N66-M131 PolarHBondContact ND2-SD 3.04Å
67G79.9Confident86.2Confident8 Ų856 Ų568%0.08229%0.289CS..THydrogen-bonded Turntrans79.37.9-17400000115.3Y65 S69 A70 S71Y65-G67 PolarHBondContact O-N 2.66Å; G67-S69 PolarHBondContact O-N 2.99Å; G67-A70 WeakPolarHBondContact O-CB 3.27Å; G67-A70 PolarHBondContact O-N 2.94Å; G67-S71 PolarHBondContact O-N 2.9Å
68I87.2Confident86.5Confident54 Ų5448.6 Ų48.628%0.27726%0.257SS..Hα-helixtrans-55.8-37.7178.3-164.6-174.6000112.2A26 H29 Y65 A70 S71 I72A26-I68 HydrophobicContact CB-CD1 4.47Å; H29-I68 PolarHBondContact NE2-N 2.71Å; Y65-I68 HydrophobicContact CD1-CD1 3.87Å; Y65-I68 HydrophobicContact CE1-CD1 4.46Å; Y65-I68 VanDerWaalsContact O-CB 3.29Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 WeakPolarHBondContact O-CG2 3.34Å; Y65-I68 PolarHBondContact O-N 2.95Å; I68-A70 VanDerWaalsContact C-N 3.25Å; I68-A70 PolarHBondContact O-N 3.45Å; I68-S71 PolarHBondContact O-N 3.41Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CG1-CD1 3.92Å; I68-I72 HydrophobicContact CG1-CG1 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 3.45Å
69S91.3Very high86.9Confident40 Ų4042.8 Ų42.828%0.2823%0.23SC..Hα-helixtrans-60.5-36.217759.80000112.2G67 L73 C144G67-S69 PolarHBondContact O-N 2.99Å; S69-L73 VanDerWaalsContact O-CB 3.31Å; S69-L73 WeakPolarHBondContact O-CB 3.38Å; S69-L73 PolarHBondContact O-N 2.9Å; S69-C144 PolarHBondContact O-SG 3.36Å; S69-C144 PolarHBondContact OG-N 3.49Å
70A87.7Confident87.6Confident0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-77.3-37.2176.200000112.2G67 I68 L73 R74 I123 N124 M127 C144G67-A70 WeakPolarHBondContact O-CB 3.27Å; G67-A70 PolarHBondContact O-N 2.94Å; I68-A70 VanDerWaalsContact C-N 3.25Å; I68-A70 PolarHBondContact O-N 3.45Å; A70-L73 PolarHBondContact O-N 3.2Å; A70-R74 VanDerWaalsContact O-CB 3.3Å; A70-R74 WeakPolarHBondContact O-CB 3.3Å; A70-R74 PolarHBondContact O-N 3.35Å; A70-I123 HydrophobicContact CB-CG2 4.2Å; A70-N124 HydrophobicContact CB-CB 3.78Å; A70-M127 HydrophobicContact CB-SD 3.73Å; A70-C144 HydrophobicContact CB-CB 3.83Å
71S88Confident88.1Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-61-45.8171.7-85.90000112H29 G67 I68 R74 Q75 N124 Q128H29-S71 PolarHBondContact CE1-OG 3.43Å; H29-S71 VanDerWaalsContact ND1-CB 3.34Å; H29-S71 WeakPolarHBondContact ND1-CB 3.25Å; H29-S71 PolarHBondContact ND1-OG 3.16Å; G67-S71 PolarHBondContact O-N 2.9Å; I68-S71 PolarHBondContact O-N 3.41Å; S71-R74 WeakPolarHBondContact O-CB 2.89Å; S71-R74 PolarHBondContact O-N 3.28Å; S71-Q75 WeakPolarHBondContact O-CG 3.41Å; S71-Q75 PolarHBondContact O-N 2.88Å; S71-N124 PolarHBondContact N-OD1 3.47Å; S71-N124 PolarHBondContact OG-ND2 3.12Å; S71-N124 PolarHBondContact OG-OD1 2.8Å; S71-Q128 PolarHBondContact OG-NE2 3.19Å
72I92.7Very high88.5Confident57 Ų5737.8 Ų37.829%0.29219%0.194SC..Hα-helixtrans-63.2-48.8177-69.6169.1000109.9A22 I68 R74 Q75 L76A22-I72 HydrophobicContact CB-CG2 4.43Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CG1-CD1 3.92Å; I68-I72 HydrophobicContact CG1-CG1 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 3.45Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 3.39Å; I72-Q75 PolarHBondContact O-N 3.02Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.15Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.35Å
73L93.1Very high88.9Confident41 Ų4131 Ų3122%0.21516%0.158CC..Hα-helixtrans-56.1-44.7177.3-178.463.5000111.1S69 A70 Q75 L76 T77 A120 C144 L148S69-L73 VanDerWaalsContact O-CB 3.31Å; S69-L73 WeakPolarHBondContact O-CB 3.38Å; S69-L73 PolarHBondContact O-N 2.9Å; A70-L73 PolarHBondContact O-N 3.2Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.45Å; L73-T77 HydrophobicContact CD1-CG2 4.13Å; L73-T77 HydrophobicContact CG-CG2 4.48Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.9Å; L73-T77 PolarHBondContact O-OG1 3.47Å; L73-A120 HydrophobicContact CB-CB 4.42Å; L73-A120 HydrophobicContact CD2-CB 4.1Å; L73-A120 HydrophobicContact CG-CB 3.84Å; L73-C144 HydrophobicContact CB-CB 4.42Å; L73-C144 HydrophobicContact CD2-CB 3.94Å; L73-L148 HydrophobicContact CD2-CD1 3.62Å
74R90Very high89.5Confident38 Ų3831.2 Ų31.214%0.14316%0.161CC..Hα-helixtrans-57.4-45.6176.2-176-173.363.675-2.3111.3A70 S71 I72 T77 Y78 A120 D121A70-R74 VanDerWaalsContact O-CB 3.3Å; A70-R74 WeakPolarHBondContact O-CB 3.3Å; A70-R74 PolarHBondContact O-N 3.35Å; S71-R74 WeakPolarHBondContact O-CB 2.89Å; S71-R74 PolarHBondContact O-N 3.28Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 3.39Å; R74-T77 PolarHBondContact O-N 3.45Å; R74-T77 PolarHBondContact O-OG1 2.86Å; R74-Y78 WeakPolarHBondContact O-CB 3.17Å; R74-Y78 PolarHBondContact O-N 3.49Å; R74-A120 HydrophobicContact CB-CB 4.04Å; R74-D121 WeakPolarHBondContact CD-OD1 3.46Å; R74-D121 HydrophobicContact CG-CB 4.32Å
75Q92.4Very high90Very high2 Ų233 Ų331%0.00917%0.171CC..Iπ-helixtrans-67.8-39.8178.6-63.1-65.61.400112.4A22 A25 S71 I72 L73 T77 S79 M80 H267A22-Q75 HydrophobicContact CB-CB 4.17Å; A25-Q75 HydrophobicContact CB-CG 3.6Å; S71-Q75 WeakPolarHBondContact O-CG 3.41Å; S71-Q75 PolarHBondContact O-N 2.88Å; I72-Q75 PolarHBondContact O-N 3.02Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.33Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.44Å; Q75-S79 VanDerWaalsContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.31Å; Q75-S79 PolarHBondContact O-N 2.9Å; Q75-S79 PolarHBondContact OE1-OG 3.26Å; Q75-M80 PolarHBondContact O-N 2.9Å; Q75-H267 PolarHBondContact NE2-NE2 2.99Å
76L93.2Very high90.4Very high65 Ų6528.2 Ų28.234%0.3415%0.152SC..Iπ-helixtrans-68.1-29.5178.1-67.1177.7000112.4A22 I72 L73 M80A22-L76 HydrophobicContact CB-CD2 4.15Å; A22-L76 HydrophobicContact CB-CG 4.45Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.15Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.35Å; L73-L76 PolarHBondContact O-N 3.45Å; L76-M80 HydrophobicContact CD2-CE 3.84Å; L76-M80 WeakPolarHBondContact O-CB 3.28Å
77T93.2Very high90.8Very high34 Ų3426.4 Ų26.421%0.20914%0.142CC..Iπ-helixtrans-85.1-55174.654.70000111.1L73 R74 Q75 T81L73-T77 HydrophobicContact CD1-CG2 4.13Å; L73-T77 HydrophobicContact CG-CG2 4.48Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.9Å; L73-T77 PolarHBondContact O-OG1 3.47Å; R74-T77 PolarHBondContact O-N 3.45Å; R74-T77 PolarHBondContact O-OG1 2.86Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.44Å; T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.28Å; T77-T81 PolarHBondContact O-N 3.2Å; T77-T81 PolarHBondContact O-OG1 2.87Å
78Y91.2Very high91.3Very high20 Ų2029.6 Ų29.68%0.07816%0.16CC..Iπ-helixtrans-68.9-57.7-175.8167.2-117.5000112.3R74 T81 R82 G113 A171 T175R74-Y78 WeakPolarHBondContact O-CB 3.17Å; R74-Y78 PolarHBondContact O-N 3.49Å; Y78-T81 PolarHBondContact O-N 2.6Å; Y78-R82 VanDerWaalsContact CZ-CD 3.42Å; Y78-R82 PolarHBondContact O-N 3.4Å; Y78-G113 VanDerWaalsContact CD2-C 3.47Å; Y78-G113 WeakPolarHBondContact CD2-O 3.47Å; Y78-A171 HydrophobicContact CE2-CB 3.65Å; Y78-T175 PolarHBondContact OH-OG1 3.17Å
79S91.1Very high91.5Very high0 Ų031.1 Ų31.10%016%0.163CC..Iπ-helixtrans-74.3-35.3-171.9-67.40000111.8S21 Q75 T81 R82 F83S21-S79 VanDerWaalsContact CB-CB 3.42Å; S21-S79 WeakPolarHBondContact CB-OG 3.31Å; S21-S79 VanDerWaalsContact OG-CB 3.25Å; S21-S79 WeakPolarHBondContact OG-CB 3.26Å; S21-S79 PolarHBondContact OG-OG 3.31Å; Q75-S79 VanDerWaalsContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.31Å; Q75-S79 PolarHBondContact O-N 2.9Å; Q75-S79 PolarHBondContact OE1-OG 3.26Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.36Å; S79-R82 WeakPolarHBondContact O-CG 3.36Å; S79-R82 PolarHBondContact OG-NE 3.46Å; S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 VanDerWaalsContact O-CD2 3.31Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 PolarHBondContact O-N 2.62Å
80M92.6Very high91.2Very high48 Ų4831.9 Ų31.924%0.23616%0.161CC..Hα-helixtrans-62.7-41.9173-165.7177.6-70.600111.7W14 Q75 L76 G84W14-M80 HydrophobicContact CE3-CG 4.27Å; W14-M80 HydrophobicContact CH2-SD 4.39Å; W14-M80 HydrophobicContact CZ3-CG 3.8Å; W14-M80 HydrophobicContact CZ3-SD 3.79Å; Q75-M80 PolarHBondContact O-N 2.9Å; L76-M80 HydrophobicContact CD2-CE 3.84Å; L76-M80 WeakPolarHBondContact O-CB 3.28Å; M80-G84 VanDerWaalsContact O-CA 3.3Å; M80-G84 WeakPolarHBondContact O-CA 3.12Å; M80-G84 PolarHBondContact O-N 3.19Å
81T93.7Very high91Very high35 Ų3535.8 Ų35.822%0.21518%0.179CC..Hα-helixtrans-65-48.7178.8-58.80000111.3T77 Y78 S79 G84 I85 C112 V116T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.28Å; T77-T81 PolarHBondContact O-N 3.2Å; T77-T81 PolarHBondContact O-OG1 2.87Å; Y78-T81 PolarHBondContact O-N 2.6Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.36Å; T81-G84 PolarHBondContact O-N 3.1Å; T81-I85 HydrophobicContact CG2-CD1 3.77Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 3.5Å; T81-C112 HydrophobicContact CG2-CB 4.39Å; T81-V116 HydrophobicContact CG2-CB 4.49Å; T81-V116 HydrophobicContact CG2-CG2 4.29Å
82R93.2Very high90.9Very high4 Ų440.1 Ų40.12%0.01521%0.21CC..Hα-helixtrans-66.4-45.6-177.280.6-165177.3116.70.3112.3Y78 S79 Y86 S109 T175 L179Y78-R82 VanDerWaalsContact CZ-CD 3.42Å; Y78-R82 PolarHBondContact O-N 3.4Å; S79-R82 WeakPolarHBondContact O-CG 3.36Å; S79-R82 PolarHBondContact OG-NE 3.46Å; R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.4Å; R82-Y86 PolarHBondContact O-N 3.24Å; R82-S109 WeakPolarHBondContact O-CB 3.46Å; R82-T175 HydrophobicContact CB-CG2 4.19Å; R82-T175 HydrophobicContact CG-CG2 4.41Å; R82-L179 VanDerWaalsContact NH1-CD1 3.33Å
83F91.2Very high90.6Very high1 Ų141.3 Ų41.30%0.00421%0.213CC..Hα-helixtrans-68.9-38.9176.9-84-76.5000110.8S79 I85 Y86 E87 L179 T271 F272 L275S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 VanDerWaalsContact O-CD2 3.31Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 PolarHBondContact O-N 2.62Å; F83-I85 PolarHBondContact O-N 2.96Å; F83-Y86 PolarHBondContact O-N 3.39Å; F83-E87 HydrophobicContact CD1-CG 4.45Å; F83-E87 VanDerWaalsContact O-CB 3.22Å; F83-E87 WeakPolarHBondContact O-CB 3.33Å; F83-E87 WeakPolarHBondContact O-CG 3.46Å; F83-E87 PolarHBondContact O-N 3.36Å; F83-L179 HydrophobicContact CD1-CD2 3.9Å; F83-L179 HydrophobicContact CE1-CD1 4.38Å; F83-L179 HydrophobicContact CE1-CD2 3.97Å; F83-L179 HydrophobicContact CE1-CG 4.07Å; F83-L179 HydrophobicContact CG-CD2 4.46Å; F83-L179 HydrophobicContact CZ-CD1 4.29Å; F83-L179 HydrophobicContact CZ-CG 4.46Å; F83-T271 HydrophobicContact CE2-CG2 4.09Å; F83-T271 HydrophobicContact CZ-CG2 4.11Å; F83-F272 HydrophobicContact CE1-CE1 4.25Å; F83-F272 HydrophobicContact CZ-CE1 4.28Å; F83-F272 HydrophobicContact CZ-CZ 4.47Å; F83-L275 HydrophobicContact CD1-CD2 4.36Å; F83-L275 HydrophobicContact CE1-CD2 3.74Å; F83-L275 HydrophobicContact CZ-CD2 4.29Å
84G92.2Very high89.8Confident9 Ų946.4 Ų46.49%0.09324%0.24CC..Hα-helixtrans-60.3-48.4178.800000111.9M80 T81 T88M80-G84 VanDerWaalsContact O-CA 3.3Å; M80-G84 WeakPolarHBondContact O-CA 3.12Å; M80-G84 PolarHBondContact O-N 3.19Å; T81-G84 PolarHBondContact O-N 3.1Å; G84-T88 WeakPolarHBondContact O-CB 3.24Å; G84-T88 PolarHBondContact O-N 3.27Å; G84-T88 VanDerWaalsContact O-N 3.07Å; G84-T88 PolarHBondContact O-OG1 3.33Å
85I93.5Very high89.3Confident67 Ų6747.6 Ų47.634%0.34426%0.258SS..Hα-helixtrans-64.6-49.1176.5-64.8167000110.6T81 F83 Y89 C112T81-I85 HydrophobicContact CG2-CD1 3.77Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 3.5Å; F83-I85 PolarHBondContact O-N 2.96Å; I85-Y89 WeakPolarHBondContact O-CB 3.39Å; I85-Y89 PolarHBondContact O-N 3.48Å; I85-C112 HydrophobicContact CD1-CB 3.71Å
86Y91.6Very high88.6Confident1 Ų152.9 Ų52.90%0.00429%0.292CS..Hα-helixtrans-65-49.1-175-174.4-92.6000112.7R82 F83 Y89 K90 S102 V105 A106 L179 D183R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.4Å; R82-Y86 PolarHBondContact O-N 3.24Å; F83-Y86 PolarHBondContact O-N 3.39Å; Y86-Y89 PolarHBondContact O-N 2.95Å; Y86-K90 HydrophobicContact CE1-CD 4.12Å; Y86-K90 VanDerWaalsContact O-CB 3.31Å; Y86-K90 WeakPolarHBondContact O-CB 3.38Å; Y86-K90 PolarHBondContact O-N 3.43Å; Y86-S102 WeakPolarHBondContact CE2-O 3.31Å; Y86-V105 HydrophobicContact CD2-CB 4.28Å; Y86-V105 HydrophobicContact CD2-CG1 3.84Å; Y86-V105 HydrophobicContact CG-CG1 4.5Å; Y86-A106 HydrophobicContact CD2-CB 4.06Å; Y86-A106 HydrophobicContact CE2-CB 3.92Å; Y86-L179 HydrophobicContact CD1-CB 4.38Å; Y86-L179 HydrophobicContact CD1-CD2 3.62Å; Y86-L179 HydrophobicContact CD1-CG 4.5Å; Y86-L179 HydrophobicContact CD2-CB 4.48Å; Y86-L179 HydrophobicContact CD2-CD2 4.2Å; Y86-L179 HydrophobicContact CE1-CB 4.19Å; Y86-L179 HydrophobicContact CE1-CD2 4.25Å; Y86-L179 HydrophobicContact CE2-CB 4.32Å; Y86-L179 HydrophobicContact CG-CD2 3.58Å; Y86-D183 VanDerWaalsContact CE1-OD2 3.26Å; Y86-D183 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D183 PolarHBondContact OH-OD2 3.21Å
87E88.1Confident88.2Confident30 Ų3050.8 Ų50.814%0.1428%0.282CS..Hα-helixtrans-69.6-40-179.2-68.2-59.6140.100112F83 Y89 K90 Q91F83-E87 HydrophobicContact CD1-CG 4.45Å; F83-E87 VanDerWaalsContact O-CB 3.22Å; F83-E87 WeakPolarHBondContact O-CB 3.33Å; F83-E87 WeakPolarHBondContact O-CG 3.46Å; F83-E87 PolarHBondContact O-N 3.36Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact CD-NZ 3.26Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 3.18Å; E87-K90 PolarHBondContact OE1-NZ 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.4Å; E87-K90 IonicContact OE2-NZ 3.55Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.23Å
88T89.6Confident88.1Confident75 Ų7552.6 Ų52.646%0.4629%0.294SS..Hα-helixtrans-62.6-42.3176.5-55.90000110.9G84 Q91 S92G84-T88 WeakPolarHBondContact O-CB 3.24Å; G84-T88 PolarHBondContact O-N 3.27Å; G84-T88 VanDerWaalsContact O-N 3.07Å; G84-T88 PolarHBondContact O-OG1 3.33Å; T88-Q91 PolarHBondContact O-N 2.91Å; T88-S92 PolarHBondContact O-N 2.78Å
89Y91.1Very high88Confident86 Ų8655.4 Ų55.434%0.33731%0.307SS..Hα-helixtrans-65-44.4176.2-169.7-90.1000111.8I85 Y86 E87 Q91 S92 L97 E101 V105I85-Y89 WeakPolarHBondContact O-CB 3.39Å; I85-Y89 PolarHBondContact O-N 3.48Å; Y86-Y89 PolarHBondContact O-N 2.95Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 3.44Å; Y89-S92 WeakPolarHBondContact O-CB 3.36Å; Y89-S92 PolarHBondContact O-N 2.86Å; Y89-L97 HydrophobicContact CD1-CD1 4.13Å; Y89-L97 HydrophobicContact CD1-CD2 4.33Å; Y89-L97 HydrophobicContact CE1-CD2 3.98Å; Y89-E101 HydrophobicContact CE1-CG 4.11Å; Y89-E101 WeakPolarHBondContact CE1-OE1 3.24Å; Y89-E101 PolarHBondContact OH-OE1 2.83Å; Y89-V105 HydrophobicContact CD1-CB 4.31Å; Y89-V105 HydrophobicContact CD1-CG1 4.03Å; Y89-V105 HydrophobicContact CD1-CG2 3.4Å; Y89-V105 HydrophobicContact CD2-CG2 4.46Å; Y89-V105 HydrophobicContact CE1-CG2 3.47Å; Y89-V105 VanDerWaalsContact CE1-CG2 3.47Å; Y89-V105 HydrophobicContact CG-CG1 4.01Å; Y89-V105 HydrophobicContact CG-CG2 3.92Å
90K86.3Confident88Confident56 Ų5659.5 Ų59.524%0.24334%0.335CS..Hα-helixtrans-60-43.8177.1-168.8172.178.9-166.50111.7Y86 E87 S92 K93 L97 D183Y86-K90 HydrophobicContact CE1-CD 4.12Å; Y86-K90 VanDerWaalsContact O-CB 3.31Å; Y86-K90 WeakPolarHBondContact O-CB 3.38Å; Y86-K90 PolarHBondContact O-N 3.43Å; E87-K90 VanDerWaalsContact CD-NZ 3.26Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 3.18Å; E87-K90 PolarHBondContact OE1-NZ 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.4Å; E87-K90 IonicContact OE2-NZ 3.55Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.45Å; K90-K93 PolarHBondContact O-N 3.05Å; K90-K93 VanDerWaalsContact O-O 3.09Å; K90-L97 HydrophobicContact CB-CD1 4Å; K90-L97 HydrophobicContact CG-CD1 3.98Å; K90-L97 HydrophobicContact CG-CG 4.48Å; K90-D183 IonicContact NZ-OD1 3.6Å; K90-D183 IonicContact NZ-OD2 3.63Å
91Q83.1Confident88Confident82 Ų8259.6 Ų59.638%0.38334%0.335SS..Hα-helixtrans-69.8-27.4178.4-70.7172.222.300113.1V11 G12 E87 T88 Y89 K93V11-Q91 HydrophobicContact CG1-CG 3.77Å; G12-Q91 PolarHBondContact O-NE2 3.03Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.23Å; T88-Q91 PolarHBondContact O-N 2.91Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 3.44Å; Q91-K93 PolarHBondContact O-N 3.15Å
92S86.8Confident87.9Confident92 Ų9258.2 Ų58.264%0.64333%0.327SS*.THydrogen-bonded Turntrans-66-17.1172.9-177.20000112.8T88 Y89 K90T88-S92 PolarHBondContact O-N 2.78Å; Y89-S92 WeakPolarHBondContact O-CB 3.36Å; Y89-S92 PolarHBondContact O-N 2.86Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.45Å
93K84.9Confident88Confident82 Ų8258.8 Ų58.836%0.35733%0.332SS..SBendtrans-102.7127.5178.3-58.2-73.5-174.5143.30108.9K90 Q91 A95 L97 E101K90-K93 PolarHBondContact O-N 3.05Å; K90-K93 VanDerWaalsContact O-O 3.09Å; Q91-K93 PolarHBondContact O-N 3.15Å; K93-A95 PolarHBondContact O-N 3.41Å; K93-A95 VanDerWaalsContact O-N 3.14Å; K93-L97 HydrophobicContact CB-CD2 4.3Å; K93-L97 HydrophobicContact CG-CD2 3.79Å; K93-E101 VanDerWaalsContact CE-OE1 3.26Å; K93-E101 WeakPolarHBondContact CE-OE1 3.24Å; K93-E101 IonicContact NZ-OE1 2.7Å; K93-E101 PolarHBondContact NZ-OE1 3.36Å
94N75.9Confident88.2Confident148 Ų14864.5 Ų64.579%0.79136%0.362SS*.SBendtrans-77.59.2178.3-59.4-49.9000113.4
95A79.6Confident88.3Confident62 Ų6264.8 Ų64.851%0.51236%0.362SS..SBendtrans-138.9153.2-176.600000110.3K93 L97K93-A95 PolarHBondContact O-N 3.41Å; K93-A95 VanDerWaalsContact O-N 3.14Å; A95-L97 PolarHBondContact O-N 2.93Å
96P79Confident88.3Confident113 Ų11361.6 Ų61.673%0.73435%0.345SS*.PPolyproline II helixtrans-53.8127.2171.7-22.732.7000110.5
97L85.2Confident88.5Confident22 Ų2264 Ų6412%0.11536%0.358CS..PPolyproline II helixtrans-62.6134.9178.9-76.1171.9000110.7Y89 K90 K93 A95 E101 S102Y89-L97 HydrophobicContact CD1-CD1 4.13Å; Y89-L97 HydrophobicContact CD1-CD2 4.33Å; Y89-L97 HydrophobicContact CE1-CD2 3.98Å; K90-L97 HydrophobicContact CB-CD1 4Å; K90-L97 HydrophobicContact CG-CD1 3.98Å; K90-L97 HydrophobicContact CG-CG 4.48Å; K93-L97 HydrophobicContact CB-CD2 4.3Å; K93-L97 HydrophobicContact CG-CD2 3.79Å; A95-L97 PolarHBondContact O-N 2.93Å; L97-E101 HydrophobicContact CD2-CB 4.31Å; L97-E101 HydrophobicContact CD2-CG 3.89Å; L97-S102 WeakPolarHBondContact CB-OG 3.49Å
98P89.7Confident88.9Confident72 Ų7265 Ų6547%0.46837%0.371SS..PPolyproline II helixtrans-55145.3164.5-20.831.2000110.3S100 E101 S102P98-S100 PolarHBondContact O-N 2.73Å; P98-S100 VanDerWaalsContact O-N 3.15Å; P98-E101 HydrophobicContact CB-CB 4.5Å; P98-E101 WeakPolarHBondContact CD-OE2 3.32Å; P98-E101 PolarHBondContact O-N 2.84Å; P98-S102 PolarHBondContact O-N 3.49Å
99F89.6Confident89.2Confident78 Ų7861.5 Ų61.534%0.34235%0.35SS..Hα-helixtrans-58.4-33.9-176.1178.5-103.4000113.3S103 A180 F181 K184F99-S103 WeakPolarHBondContact CE1-OG 3.41Å; F99-S103 WeakPolarHBondContact CZ-OG 3.47Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 2.99Å; F99-S103 PolarHBondContact O-OG 3.05Å; F99-A180 HydrophobicContact CE2-CB 4.22Å; F99-F181 HydrophobicContact CE2-CD1 4.5Å; F99-F181 HydrophobicContact CE2-CD2 4.3Å; F99-F181 HydrophobicContact CE2-CE1 4.5Å; F99-F181 HydrophobicContact CE2-CE2 4.32Å; F99-F181 HydrophobicContact CE2-CG 4.41Å; F99-F181 HydrophobicContact CE2-CZ 4.42Å; F99-F181 HydrophobicContact CZ-CD2 4.16Å; F99-F181 HydrophobicContact CZ-CE1 4.09Å; F99-F181 AromaticContact CZ-CE2 3.73Å; F99-F181 HydrophobicContact CZ-CE2 3.73Å; F99-F181 AromaticContact CZ-CZ 3.69Å; F99-F181 HydrophobicContact CZ-CZ 3.69Å; F99-K184 HydrophobicContact CD2-CB 4.11Å; F99-K184 HydrophobicContact CD2-CD 4.44Å; F99-K184 HydrophobicContact CD2-CG 4.23Å; F99-K184 HydrophobicContact CE2-CB 4.33Å
100S91.2Very high89.4Confident86 Ų8657.4 Ų57.460%0.60133%0.333SS*.Hα-helixtrans-62.8-44.4175.148.60000112.1P98 S103 L104P98-S100 PolarHBondContact O-N 2.73Å; P98-S100 VanDerWaalsContact O-N 3.15Å; S100-S103 PolarHBondContact O-N 3.3Å; S100-L104 PolarHBondContact O-N 3.36Å
101E92.7Very high89.8Confident50 Ų5059.1 Ų59.123%0.23434%0.341CS..Hα-helixtrans-68.5-46.8178.4-163.2174.1174.400110.6Y89 K93 L97 P98 S103 L104 V105Y89-E101 HydrophobicContact CE1-CG 4.11Å; Y89-E101 WeakPolarHBondContact CE1-OE1 3.24Å; Y89-E101 PolarHBondContact OH-OE1 2.83Å; K93-E101 VanDerWaalsContact CE-OE1 3.26Å; K93-E101 WeakPolarHBondContact CE-OE1 3.24Å; K93-E101 IonicContact NZ-OE1 2.7Å; K93-E101 PolarHBondContact NZ-OE1 3.36Å; L97-E101 HydrophobicContact CD2-CB 4.31Å; L97-E101 HydrophobicContact CD2-CG 3.89Å; P98-E101 HydrophobicContact CB-CB 4.5Å; P98-E101 WeakPolarHBondContact CD-OE2 3.32Å; P98-E101 PolarHBondContact O-N 2.84Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.86Å; E101-L104 PolarHBondContact O-N 3.49Å; E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.47Å; E101-V105 PolarHBondContact O-N 2.69Å
102S91.6Very high90.4Very high7 Ų757.9 Ų57.95%0.04934%0.341CS..Hα-helixtrans-56-41.3172.2-65.60000112Y86 L97 P98 V105 A106Y86-S102 WeakPolarHBondContact CE2-O 3.31Å; L97-S102 WeakPolarHBondContact CB-OG 3.49Å; P98-S102 PolarHBondContact O-N 3.49Å; S102-V105 PolarHBondContact O-N 3.15Å; S102-A106 WeakPolarHBondContact O-CB 3.39Å; S102-A106 PolarHBondContact O-N 2.82Å
103S93.9Very high90.8Very high16 Ų1653.5 Ų53.511%0.11231%0.31CS..Hα-helixtrans-64.7-44.1179.9-65.70000111.8F99 S100 E101 A106 L107 L176F99-S103 WeakPolarHBondContact CE1-OG 3.41Å; F99-S103 WeakPolarHBondContact CZ-OG 3.47Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 2.99Å; F99-S103 PolarHBondContact O-OG 3.05Å; S100-S103 PolarHBondContact O-N 3.3Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.86Å; S103-A106 PolarHBondContact O-N 3.34Å; S103-L107 WeakPolarHBondContact O-CB 3.15Å; S103-L107 WeakPolarHBondContact O-CG 3.15Å; S103-L107 PolarHBondContact O-N 3.35Å; S103-L176 VanDerWaalsContact CB-CD1 3.41Å; S103-L176 WeakPolarHBondContact OG-CD1 3.22Å
104L95.4Very high91.2Very high121 Ų12149.7 Ų49.763%0.63429%0.294SS*.Hα-helixtrans-63.9-45.7178.3-173.768.2000111.4S100 E101 A106 L107 A108S100-L104 PolarHBondContact O-N 3.36Å; E101-L104 PolarHBondContact O-N 3.49Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.94Å; L104-L107 PolarHBondContact O-N 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.01Å
105V94.9Very high92.1Very high15 Ų1545 Ų459%0.09127%0.271CS..Hα-helixtrans-65.5-38.8177.8178.90000110.6Y86 Y89 E101 S102 A108 S109Y86-V105 HydrophobicContact CD2-CB 4.28Å; Y86-V105 HydrophobicContact CD2-CG1 3.84Å; Y86-V105 HydrophobicContact CG-CG1 4.5Å; Y89-V105 HydrophobicContact CD1-CB 4.31Å; Y89-V105 HydrophobicContact CD1-CG1 4.03Å; Y89-V105 HydrophobicContact CD1-CG2 3.4Å; Y89-V105 HydrophobicContact CD2-CG2 4.46Å; Y89-V105 HydrophobicContact CE1-CG2 3.47Å; Y89-V105 VanDerWaalsContact CE1-CG2 3.47Å; Y89-V105 HydrophobicContact CG-CG1 4.01Å; Y89-V105 HydrophobicContact CG-CG2 3.92Å; E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.47Å; E101-V105 PolarHBondContact O-N 2.69Å; S102-V105 PolarHBondContact O-N 3.15Å; V105-A108 PolarHBondContact O-N 2.92Å; V105-S109 WeakPolarHBondContact O-CB 3.21Å; V105-S109 PolarHBondContact O-N 3.26Å; V105-S109 PolarHBondContact O-OG 3.28Å
106A94.9Very high92.8Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-65.1-41.4175.800000112.2Y86 S102 S103 L104 S109 G110 T175 A180Y86-A106 HydrophobicContact CD2-CB 4.06Å; Y86-A106 HydrophobicContact CE2-CB 3.92Å; S102-A106 WeakPolarHBondContact O-CB 3.39Å; S102-A106 PolarHBondContact O-N 2.82Å; S103-A106 PolarHBondContact O-N 3.34Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.94Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-OG 3.28Å; A106-S109 VanDerWaalsContact O-OG 3.05Å; A106-G110 PolarHBondContact O-N 2.86Å; A106-T175 HydrophobicContact CB-CG2 4.32Å; A106-T175 WeakPolarHBondContact O-CB 3.48Å; A106-T175 WeakPolarHBondContact O-CG2 3.36Å; A106-A180 HydrophobicContact CB-CB 4.04Å
107L95.6Very high93.4Very high52 Ų5240.4 Ų40.427%0.27224%0.235SC..Hα-helixtrans-63.1-49.8174.7-76.3168000111.4S103 L104 G110 F111 A172 F173 L176S103-L107 WeakPolarHBondContact O-CB 3.15Å; S103-L107 WeakPolarHBondContact O-CG 3.15Å; S103-L107 PolarHBondContact O-N 3.35Å; L104-L107 PolarHBondContact O-N 3.22Å; L107-G110 PolarHBondContact O-N 3.46Å; L107-F111 WeakPolarHBondContact O-CB 3.11Å; L107-F111 PolarHBondContact O-N 3.4Å; L107-A172 HydrophobicContact CD2-CB 3.99Å; L107-A172 WeakPolarHBondContact O-CB 3.11Å; L107-F173 HydrophobicContact CD2-CD1 4.26Å; L107-F173 HydrophobicContact CD2-CE1 4.44Å; L107-L176 HydrophobicContact CD1-CD2 4.38Å; L107-L176 HydrophobicContact CD2-CB 3.98Å; L107-L176 HydrophobicContact CD2-CD2 3.99Å; L107-L176 HydrophobicContact CG-CB 4.16Å; L107-L176 HydrophobicContact CG-CD2 4.18Å
108A96.3Very high93.7Very high51 Ų5139.6 Ų39.642%0.42123%0.23SC..Hα-helixtrans-63.2-48-179.700000111.8L104 V105 G110 F111 C112L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.01Å; V105-A108 PolarHBondContact O-N 2.92Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.39Å; A108-F111 PolarHBondContact O-N 2.94Å; A108-C112 WeakPolarHBondContact O-CB 3.48Å; A108-C112 PolarHBondContact O-N 3.19Å; A108-C112 PolarHBondContact O-SG 3.03Å; A108-C112 VanDerWaalsContact O-SG 3.36Å
109S95.7Very high93.8Very high0 Ų037.2 Ų37.20%022%0.215CC..Hα-helixtrans-62.4-40.3177.961.10000112.4R82 V105 A106 G113R82-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 WeakPolarHBondContact O-CB 3.21Å; V105-S109 PolarHBondContact O-N 3.26Å; V105-S109 PolarHBondContact O-OG 3.28Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-OG 3.28Å; A106-S109 VanDerWaalsContact O-OG 3.05Å; S109-G113 PolarHBondContact O-N 2.77Å
110G95.1Very high93.9Very high0 Ų033.6 Ų33.60%020%0.2CC..Hα-helixtrans-65.2-42.1174.900000112.6A106 L107 A108 G113 G114 A171 T175A106-G110 PolarHBondContact O-N 2.86Å; L107-G110 PolarHBondContact O-N 3.46Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.39Å; G110-G113 PolarHBondContact O-N 3.33Å; G110-G114 PolarHBondContact O-N 3.33Å; G110-A171 WeakPolarHBondContact O-CB 3.48Å; G110-T175 VanDerWaalsContact CA-OG1 3.25Å; G110-T175 WeakPolarHBondContact CA-OG1 3.3Å
111F95.2Very high93.6Very high93 Ų9331.5 Ų31.541%0.40818%0.182SC..Hα-helixtrans-62.1-52.8176.1-171.2-90.5000111.3L107 A108 G113 G114 V115 A168 A172L107-F111 WeakPolarHBondContact O-CB 3.11Å; L107-F111 PolarHBondContact O-N 3.4Å; A108-F111 PolarHBondContact O-N 2.94Å; F111-G113 VanDerWaalsContact C-N 3.31Å; F111-G113 PolarHBondContact O-N 3.02Å; F111-G114 PolarHBondContact O-N 3.06Å; F111-V115 HydrophobicContact CD1-CG2 4.16Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CZ-CG2 4.43Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 2.84Å; F111-A168 HydrophobicContact CD1-CB 4.5Å; F111-A168 HydrophobicContact CD2-CB 3.67Å; F111-A168 HydrophobicContact CE1-CB 4.43Å; F111-A168 HydrophobicContact CE2-CB 3.59Å; F111-A168 HydrophobicContact CG-CB 4.15Å; F111-A168 HydrophobicContact CZ-CB 3.99Å; F111-A172 HydrophobicContact CB-CB 4.09Å
112C95.9Very high93.2Very high56 Ų5630.4 Ų30.438%0.37818%0.177SC..Hα-helixtrans-57.6-45176.7-69.40000111.5T81 I85 A108 G114 V115 V116T81-C112 HydrophobicContact CG2-CB 4.39Å; I85-C112 HydrophobicContact CD1-CB 3.71Å; A108-C112 WeakPolarHBondContact O-CB 3.48Å; A108-C112 PolarHBondContact O-N 3.19Å; A108-C112 PolarHBondContact O-SG 3.03Å; A108-C112 VanDerWaalsContact O-SG 3.36Å; C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 3.34Å; C112-V115 PolarHBondContact O-N 3.31Å; C112-V116 WeakPolarHBondContact O-CG2 3.4Å; C112-V116 PolarHBondContact O-N 2.98Å
113G94.5Very high93.1Very high0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-59.4-40.8175.200000112.2Y78 S109 G110 F111 G117Y78-G113 VanDerWaalsContact CD2-C 3.47Å; Y78-G113 WeakPolarHBondContact CD2-O 3.47Å; S109-G113 PolarHBondContact O-N 2.77Å; G110-G113 PolarHBondContact O-N 3.33Å; F111-G113 VanDerWaalsContact C-N 3.31Å; F111-G113 PolarHBondContact O-N 3.02Å; G113-G117 WeakPolarHBondContact O-CA 3.49Å; G113-G117 PolarHBondContact O-N 3.34Å
114G92.7Very high92.7Very high2 Ų229.7 Ų29.72%0.02117%0.171CC..Hα-helixtrans-65.9-37.7177.500000113.1G110 F111 C112 N118G110-G114 PolarHBondContact O-N 3.33Å; F111-G114 PolarHBondContact O-N 3.06Å; C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 3.34Å; G114-N118 WeakPolarHBondContact O-CB 3.37Å; G114-N118 PolarHBondContact O-N 2.97Å
115V94.5Very high91.9Very high49 Ų4927 Ų2730%0.29716%0.16SC..Hα-helixtrans-64.8-51.9174176.20000110.8F111 C112 G117 N118 V164 A168F111-V115 HydrophobicContact CD1-CG2 4.16Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CZ-CG2 4.43Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 2.84Å; C112-V115 PolarHBondContact O-N 3.31Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.25Å; V115-N118 PolarHBondContact O-N 3.19Å; V115-V164 HydrophobicContact CB-CG2 4.27Å; V115-V164 HydrophobicContact CG1-CG2 4.31Å; V115-V164 HydrophobicContact CG2-CG2 4.03Å; V115-A168 HydrophobicContact CG2-CB 3.84Å
116V94.3Very high91.4Very high76 Ų7627.6 Ų27.646%0.46116%0.16SC..Hα-helixtrans-64.5-34.7179.71750000111.5T81 C112 P119T81-V116 HydrophobicContact CG2-CB 4.49Å; T81-V116 HydrophobicContact CG2-CG2 4.29Å; C112-V116 WeakPolarHBondContact O-CG2 3.4Å; C112-V116 PolarHBondContact O-N 2.98Å; V116-P119 WeakPolarHBondContact O-CD 3.47Å
117G92.5Very high90.9Very high3 Ų328.6 Ų28.63%0.03117%0.165CC..Hα-helixtrans-81.5-14-17900000115.3G113 V115 A120 D121G113-G117 WeakPolarHBondContact O-CA 3.49Å; G113-G117 PolarHBondContact O-N 3.34Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.25Å; G117-A120 PolarHBondContact O-N 3.45Å; G117-D121 PolarHBondContact O-N 3.3Å
118N90.6Very high89.9Confident4 Ų426.3 Ų26.32%0.02115%0.153CC..Hα-helixtrans-59.2-42-173.5-158.876.3000114G114 V115 A120 D121 M122 L160 F161 N162 V164 T167G114-N118 WeakPolarHBondContact O-CB 3.37Å; G114-N118 PolarHBondContact O-N 2.97Å; V115-N118 PolarHBondContact O-N 3.19Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.39Å; N118-D121 PolarHBondContact O-N 3.21Å; N118-M122 WeakPolarHBondContact O-CB 3.34Å; N118-M122 PolarHBondContact O-N 2.82Å; N118-L160 PolarHBondContact ND2-O 2.94Å; N118-F161 WeakPolarHBondContact ND2-CA 3.17Å; N118-N162 PolarHBondContact ND2-O 2.9Å; N118-V164 HydrophobicContact CB-CB 4.4Å; N118-V164 HydrophobicContact CB-CG2 4.04Å; N118-T167 WeakPolarHBondContact OD1-CB 3.38Å; N118-T167 PolarHBondContact OD1-OG1 2.85Å
119P91.7Very high88.9Confident22 Ų2225.2 Ų25.214%0.14314%0.14CC..Hα-helixtrans-57.7-45176.1-26.836.4000112.7V116 M122 I123 L148 L160 F161V116-P119 WeakPolarHBondContact O-CD 3.47Å; P119-M122 PolarHBondContact O-N 2.98Å; P119-I123 WeakPolarHBondContact O-CG1 3.3Å; P119-I123 PolarHBondContact O-N 3.19Å; P119-L148 HydrophobicContact CB-CD2 3.84Å; P119-L160 HydrophobicContact CB-CB 4.07Å; P119-L160 HydrophobicContact CB-CD1 4.22Å; P119-L160 HydrophobicContact CB-CD2 4.17Å; P119-L160 HydrophobicContact CB-CG 4.41Å; P119-L160 HydrophobicContact CG-CB 4.14Å; P119-F161 HydrophobicContact CG-CE1 4.3Å; P119-F161 HydrophobicContact CG-CZ 4.16Å
120A91.7Very high88.1Confident2 Ų225.9 Ų25.92%0.01714%0.144CC..Hα-helixtrans-69.7-38.5179.600000112L73 R74 G117 N118 I123 N124L73-A120 HydrophobicContact CB-CB 4.42Å; L73-A120 HydrophobicContact CD2-CB 4.1Å; L73-A120 HydrophobicContact CG-CB 3.84Å; R74-A120 HydrophobicContact CB-CB 4.04Å; G117-A120 PolarHBondContact O-N 3.45Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.39Å; A120-I123 PolarHBondContact O-N 2.82Å; A120-N124 VanDerWaalsContact O-CB 3.27Å; A120-N124 WeakPolarHBondContact O-CB 3.31Å; A120-N124 PolarHBondContact O-N 2.79Å
121D85.8Confident86.8Confident42 Ų4227.3 Ų27.323%0.22515%0.151CC..Hα-helixtrans-62.6-44.1175.1-167.255.1000111.7R74 G117 N118 I123 N124 V125R74-D121 WeakPolarHBondContact CD-OD1 3.46Å; R74-D121 HydrophobicContact CG-CB 4.32Å; G117-D121 PolarHBondContact O-N 3.3Å; N118-D121 PolarHBondContact O-N 3.21Å; D121-I123 PolarHBondContact O-N 2.96Å; D121-N124 WeakPolarHBondContact O-CB 2.91Å; D121-N124 PolarHBondContact O-N 3.33Å; D121-V125 WeakPolarHBondContact O-CG2 3.33Å; D121-V125 PolarHBondContact O-N 3.28Å
122M85.4Confident85.4Confident27 Ų2726.4 Ų26.413%0.13315%0.147CC..Hα-helixtrans-60.8-46.5178.4-164.4-155.47200111.6N118 P119 N124 V125 R126 V151 L160N118-M122 WeakPolarHBondContact O-CB 3.34Å; N118-M122 PolarHBondContact O-N 2.82Å; P119-M122 PolarHBondContact O-N 2.98Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-V125 PolarHBondContact O-N 3.24Å; M122-R126 WeakPolarHBondContact O-CG 3.22Å; M122-R126 PolarHBondContact O-N 3.21Å; M122-R126 VanDerWaalsContact O-N 3.07Å; M122-V151 HydrophobicContact CE-CB 4.28Å; M122-V151 HydrophobicContact CE-CG1 3.76Å; M122-V151 HydrophobicContact CE-CG2 3.77Å; M122-L160 HydrophobicContact CE-CD2 3.78Å
123I88.6Confident84.2Confident0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-64.5-40.2176.9-65.3-57.4000111.1A70 P119 A120 D121 V125 R126 M127 Y141 C144 G147 L148 V151A70-I123 HydrophobicContact CB-CG2 4.2Å; P119-I123 WeakPolarHBondContact O-CG1 3.3Å; P119-I123 PolarHBondContact O-N 3.19Å; A120-I123 PolarHBondContact O-N 2.82Å; D121-I123 PolarHBondContact O-N 2.96Å; I123-V125 PolarHBondContact O-N 3.35Å; I123-R126 PolarHBondContact O-N 3.35Å; I123-M127 HydrophobicContact CG2-CG 4.11Å; I123-M127 HydrophobicContact CG2-SD 3.86Å; I123-M127 WeakPolarHBondContact O-CB 3.26Å; I123-M127 WeakPolarHBondContact O-CG 3.06Å; I123-M127 PolarHBondContact O-N 3.1Å; I123-Y141 HydrophobicContact CD1-CE2 4.4Å; I123-C144 HydrophobicContact CG2-CB 4.36Å; I123-G147 VanDerWaalsContact CD1-C 3.43Å; I123-G147 WeakPolarHBondContact CD1-O 3.45Å; I123-L148 HydrophobicContact CG1-CD2 3.81Å; I123-L148 HydrophobicContact CG1-CG 3.95Å; I123-V151 HydrophobicContact CD1-CB 4.38Å; I123-V151 HydrophobicContact CD1-CG2 3.62Å
124N85.1Confident83.1Confident9 Ų929 Ų295%0.04816%0.16CC..Hα-helixtrans-59.5-48.2177.6-170.434.9000111.8A70 S71 A120 D121 M122 R126 M127 Q128A70-N124 HydrophobicContact CB-CB 3.78Å; S71-N124 PolarHBondContact N-OD1 3.47Å; S71-N124 PolarHBondContact OG-ND2 3.12Å; S71-N124 PolarHBondContact OG-OD1 2.8Å; A120-N124 VanDerWaalsContact O-CB 3.27Å; A120-N124 WeakPolarHBondContact O-CB 3.31Å; A120-N124 PolarHBondContact O-N 2.79Å; D121-N124 WeakPolarHBondContact O-CB 2.91Å; D121-N124 PolarHBondContact O-N 3.33Å; M122-N124 VanDerWaalsContact C-N 3.33Å; N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.13Å; N124-M127 PolarHBondContact O-N 3.03Å; N124-Q128 VanDerWaalsContact CG-NE2 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 3.23Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.16Å; N124-Q128 WeakPolarHBondContact O-CB 3.35Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 3.48Å; N124-Q128 PolarHBondContact OD1-NE2 2.7Å
125V79.6Confident82.1Confident64 Ų6435.3 Ų35.339%0.38819%0.192SC..Hα-helixtrans-61.8-38.2176.7173.80000111.5D121 M122 I123 N129D121-V125 WeakPolarHBondContact O-CG2 3.33Å; D121-V125 PolarHBondContact O-N 3.28Å; M122-V125 PolarHBondContact O-N 3.24Å; I123-V125 PolarHBondContact O-N 3.35Å; V125-N129 WeakPolarHBondContact CG1-ND2 3.29Å; V125-N129 WeakPolarHBondContact O-CB 3.4Å; V125-N129 PolarHBondContact O-N 2.98Å; V125-N129 VanDerWaalsContact O-N 3.14Å; V125-N129 PolarHBondContact O-ND2 3.37Å
126R83.9Confident81.3Confident28 Ų2839.4 Ų39.411%0.10621%0.212CC..Hα-helixtrans-67.9-46.6177.4-72.1-179.7-178.2-150.23.4112.3M122 I123 N124 N129 D130 Y141 E155M122-R126 WeakPolarHBondContact O-CG 3.22Å; M122-R126 PolarHBondContact O-N 3.21Å; M122-R126 VanDerWaalsContact O-N 3.07Å; I123-R126 PolarHBondContact O-N 3.35Å; N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.13Å; R126-N129 PolarHBondContact O-N 3.11Å; R126-D130 WeakPolarHBondContact O-CB 3.11Å; R126-D130 PolarHBondContact O-N 3.4Å; R126-Y141 HydrophobicContact CB-CE2 3.91Å; R126-Y141 PolarHBondContact NH1-OH 2.91Å; R126-E155 IonicContact CZ-OE1 3.07Å; R126-E155 IonicContact CZ-OE2 2.6Å; R126-E155 VanDerWaalsContact NH1-CD 3.31Å; R126-E155 IonicContact NH1-OE1 3.53Å; R126-E155 PolarHBondContact NH1-OE1 2.91Å; R126-E155 IonicContact NH1-OE2 3.17Å; R126-E155 PolarHBondContact NH1-OE2 3.02Å; R126-E155 IonicContact NH2-OE1 2.9Å; R126-E155 IonicContact NH2-OE2 3.88Å; R126-E155 PolarHBondContact NH2-OE2 3.28Å
127M83.7Confident80.5Confident20 Ų2041.5 Ų41.510%0.09922%0.217CC..Hα-helixtrans-63.6-42.5179.2-72-174.376.600111.7A70 I123 N124 N129 D130 Y141 C144A70-M127 HydrophobicContact CB-SD 3.73Å; I123-M127 HydrophobicContact CG2-CG 4.11Å; I123-M127 HydrophobicContact CG2-SD 3.86Å; I123-M127 WeakPolarHBondContact O-CB 3.26Å; I123-M127 WeakPolarHBondContact O-CG 3.06Å; I123-M127 PolarHBondContact O-N 3.1Å; N124-M127 PolarHBondContact O-N 3.03Å; M127-N129 VanDerWaalsContact C-N 3.33Å; M127-N129 PolarHBondContact O-N 3.45Å; M127-D130 WeakPolarHBondContact O-CB 3.26Å; M127-D130 PolarHBondContact O-N 2.84Å; M127-Y141 HydrophobicContact CG-CD2 3.75Å; M127-Y141 HydrophobicContact CG-CG 4.47Å; M127-C144 HydrophobicContact SD-CB 4.46Å
128Q75.2Confident79.9Confident5 Ų545.1 Ų45.12%0.02323%0.23CC..Hα-helixtrans-69.9-29.4179.2-68.6-175.526.400113.2V36 H37 S71 N124V36-Q128 HydrophobicContact CB-CB 4.47Å; V36-Q128 HydrophobicContact CG1-CB 4Å; H37-Q128 PolarHBondContact CE1-O 2.91Å; S71-Q128 PolarHBondContact OG-NE2 3.19Å; N124-Q128 VanDerWaalsContact CG-NE2 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 3.23Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.16Å; N124-Q128 WeakPolarHBondContact O-CB 3.35Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 3.48Å; N124-Q128 PolarHBondContact OD1-NE2 2.7Å
129N74.8Confident79.4Confident27 Ų2749.5 Ų49.514%0.14425%0.246CC..Hα-helixtrans-84.5-14.4175.3-76.5-50.4000113.4V36 T40 V125 R126 M127 M131 K132V36-N129 WeakPolarHBondContact CG1-OD1 3.29Å; T40-N129 WeakPolarHBondContact CB-OD1 3.34Å; T40-N129 VanDerWaalsContact CG2-OD1 3.28Å; T40-N129 WeakPolarHBondContact CG2-OD1 3.27Å; T40-N129 PolarHBondContact OG1-OD1 2.85Å; V125-N129 WeakPolarHBondContact CG1-ND2 3.29Å; V125-N129 WeakPolarHBondContact O-CB 3.4Å; V125-N129 PolarHBondContact O-N 2.98Å; V125-N129 VanDerWaalsContact O-N 3.14Å; V125-N129 PolarHBondContact O-ND2 3.37Å; R126-N129 PolarHBondContact O-N 3.11Å; M127-N129 VanDerWaalsContact C-N 3.33Å; M127-N129 PolarHBondContact O-N 3.45Å; N129-M131 VanDerWaalsContact C-N 3.31Å; N129-M131 PolarHBondContact O-N 2.85Å; N129-K132 WeakPolarHBondContact O-CB 3.46Å; N129-K132 PolarHBondContact O-N 3.48Å
130D78.3Confident78.9Confident14 Ų1453 Ų538%0.07526%0.263CS..Hα-helixtrans-63.3-35.8-171-145.647.1000112.6R126 M127 K132 L133 R138 R139 N140R126-D130 WeakPolarHBondContact O-CB 3.11Å; R126-D130 PolarHBondContact O-N 3.4Å; M127-D130 WeakPolarHBondContact O-CB 3.26Å; M127-D130 PolarHBondContact O-N 2.84Å; D130-K132 PolarHBondContact O-N 2.9Å; D130-K132 VanDerWaalsContact O-N 3.09Å; D130-L133 PolarHBondContact O-N 3.22Å; D130-L133 VanDerWaalsContact O-N 3.09Å; D130-R138 WeakPolarHBondContact O-CG 3.27Å; D130-R139 VanDerWaalsContact CG-N 3.31Å; D130-R139 VanDerWaalsContact OD1-CB 3.31Å; D130-R139 WeakPolarHBondContact OD1-CB 3.38Å; D130-R139 WeakPolarHBondContact OD1-CG 3.43Å; D130-R139 PolarHBondContact OD1-N 3.18Å; D130-R139 PolarHBondContact OD2-N 2.94Å; D130-R139 VanDerWaalsContact OD2-N 3.07Å; D130-N140 PolarHBondContact OD2-N 3.22Å
131M68.2Low78.4Confident31 Ų3154 Ų5415%0.15327%0.267CS..THydrogen-bonded Turntrans-58-26.3175.6-95.6115.275.300114.1L33 A63 N66 N129 L133 R138L33-M131 HydrophobicContact CD1-CE 4.21Å; A63-M131 HydrophobicContact CB-CE 4.32Å; N66-M131 HydrophobicContact CB-CE 3.82Å; N66-M131 HydrophobicContact CB-SD 3.57Å; N66-M131 VanDerWaalsContact CB-SD 3.57Å; N66-M131 WeakPolarHBondContact ND2-CE 3.26Å; N66-M131 PolarHBondContact ND2-SD 3.04Å; N129-M131 VanDerWaalsContact C-N 3.31Å; N129-M131 PolarHBondContact O-N 2.85Å; M131-L133 VanDerWaalsContact C-N 3.35Å; M131-R138 PolarHBondContact O-NH2 2.91Å
132K66.8Low78.3Confident73 Ų7360 Ų6032%0.31729%0.291SS..THydrogen-bonded Turntrans-80.4-21.8-178-61.5-179.7156.1-156.50113.3H37 T40 N129 D130H37-K132 VanDerWaalsContact CA-CE 3.47Å; H37-K132 VanDerWaalsContact CA-NZ 3.33Å; H37-K132 WeakPolarHBondContact CD2-CE 3.49Å; H37-K132 PolarHBondContact O-NZ 2.95Å; T40-K132 WeakPolarHBondContact OG1-CD 3.22Å; T40-K132 WeakPolarHBondContact OG1-CE 3.41Å; T40-K132 PolarHBondContact OG1-NZ 3.16Å; N129-K132 WeakPolarHBondContact O-CB 3.46Å; N129-K132 PolarHBondContact O-N 3.48Å; D130-K132 PolarHBondContact O-N 2.9Å; D130-K132 VanDerWaalsContact O-N 3.09Å
133L70.4Confident78.3Confident44 Ų4463.2 Ų63.223%0.2331%0.309CS..SBendtrans-71.2141.2178.4-68.2168.5000108.4D130 M131 E137 R138D130-L133 PolarHBondContact O-N 3.22Å; D130-L133 VanDerWaalsContact O-N 3.09Å; M131-L133 VanDerWaalsContact C-N 3.35Å; L133-E137 HydrophobicContact CB-CB 4.11Å; L133-E137 WeakPolarHBondContact CD1-O 3.43Å; L133-E137 HydrophobicContact CD2-CB 4.39Å; L133-R138 HydrophobicContact CB-CG 4.04Å; L133-R138 WeakPolarHBondContact O-CG 3.49Å; L133-R138 PolarHBondContact O-NE 2.95Å
134P70.5Confident78.4Confident67 Ų6763.8 Ų63.844%0.43531%0.313SS..  trans-56.8149.6170.827.6-33.6000108.7N136 E137 R138P134-N136 VanDerWaalsContact CB-OD1 3.23Å; P134-N136 WeakPolarHBondContact CB-OD1 3.38Å; P134-N136 WeakPolarHBondContact CG-OD1 3.31Å; P134-N136 PolarHBondContact O-N 2.95Å; P134-N136 PolarHBondContact O-OD1 3.35Å; P134-E137 HydrophobicContact CG-CB 4.11Å; P134-E137 HydrophobicContact CG-CG 4.02Å; P134-E137 PolarHBondContact O-N 2.71Å; P134-R138 WeakPolarHBondContact O-CG 3.22Å; P134-R138 PolarHBondContact O-N 3.14Å
135I73.4Confident78.7Confident135 Ų13568.4 Ų68.469%0.69234%0.336SS*.THydrogen-bonded Turntrans-52.1-32.9-165.1-67.1165.9000112.7
136N76.7Confident79.2Confident135 Ų13567.1 Ų67.172%0.72233%0.327SS*.THydrogen-bonded Turntrans-72.2-21.9177.558.1-27.1000115.2P134P134-N136 VanDerWaalsContact CB-OD1 3.23Å; P134-N136 WeakPolarHBondContact CB-OD1 3.38Å; P134-N136 WeakPolarHBondContact CG-OD1 3.31Å; P134-N136 PolarHBondContact O-N 2.95Å; P134-N136 PolarHBondContact O-OD1 3.35Å
137E77.9Confident79.5Confident119 Ų11965.8 Ų65.856%0.55632%0.322SS*.THydrogen-bonded Turntrans-104.1-3.9-180-67.4-177.2-177.600113.2L133 P134 R139L133-E137 HydrophobicContact CB-CB 4.11Å; L133-E137 WeakPolarHBondContact CD1-O 3.43Å; L133-E137 HydrophobicContact CD2-CB 4.39Å; P134-E137 HydrophobicContact CG-CB 4.11Å; P134-E137 HydrophobicContact CG-CG 4.02Å; P134-E137 PolarHBondContact O-N 2.71Å; E137-R139 PolarHBondContact O-N 3.44Å
138R79.1Confident79.8Confident80 Ų8066.8 Ų66.830%0.30233%0.328SS..  trans-65130.3178.6-64-171.7176.5178.6-6.3110.5D130 M131 L133 P134 N140D130-R138 WeakPolarHBondContact O-CG 3.27Å; M131-R138 PolarHBondContact O-NH2 2.91Å; L133-R138 HydrophobicContact CB-CG 4.04Å; L133-R138 WeakPolarHBondContact O-CG 3.49Å; L133-R138 PolarHBondContact O-NE 2.95Å; P134-R138 WeakPolarHBondContact O-CG 3.22Å; P134-R138 PolarHBondContact O-N 3.14Å; R138-N140 VanDerWaalsContact C-N 3.26Å; R138-N140 WeakPolarHBondContact CB-ND2 3.28Å; R138-N140 PolarHBondContact O-N 3.23Å; R138-N140 PolarHBondContact O-ND2 2.85Å
139R79.4Confident80.7Confident95 Ų9570.8 Ų70.836%0.35835%0.348SS..  trans-70-27.8177.7-60.2173.5178112.21.8111.7D130 E137 Y141D130-R139 VanDerWaalsContact CG-N 3.31Å; D130-R139 VanDerWaalsContact OD1-CB 3.31Å; D130-R139 WeakPolarHBondContact OD1-CB 3.38Å; D130-R139 WeakPolarHBondContact OD1-CG 3.43Å; D130-R139 PolarHBondContact OD1-N 3.18Å; D130-R139 PolarHBondContact OD2-N 2.94Å; D130-R139 VanDerWaalsContact OD2-N 3.07Å; E137-R139 PolarHBondContact O-N 3.44Å; R139-Y141 VanDerWaalsContact C-N 3.3Å; R139-Y141 HydrophobicContact CB-CD1 4.29Å; R139-Y141 HydrophobicContact CB-CD2 4.4Å; R139-Y141 HydrophobicContact CB-CE1 4.01Å; R139-Y141 HydrophobicContact CB-CE2 4.14Å; R139-Y141 HydrophobicContact CB-CG 4.48Å; R139-Y141 PolarHBondContact O-N 3.39Å
140N82.1Confident81.5Confident95 Ų9573.3 Ų73.351%0.50836%0.356SS..  trans47.551.7177.7-67-49.8000112.1D130 R138 K142D130-N140 PolarHBondContact OD2-N 3.22Å; R138-N140 VanDerWaalsContact C-N 3.26Å; R138-N140 WeakPolarHBondContact CB-ND2 3.28Å; R138-N140 PolarHBondContact O-N 3.23Å; R138-N140 PolarHBondContact O-ND2 2.85Å; N140-K142 PolarHBondContact O-N 3.35Å
141Y81.7Confident82Confident25 Ų2572.7 Ų72.710%0.09835%0.352CS..  trans-64.7125.3169.4-60.2-38.6000108.6I123 R126 M127 R139 R150I123-Y141 HydrophobicContact CD1-CE2 4.4Å; R126-Y141 HydrophobicContact CB-CE2 3.91Å; R126-Y141 PolarHBondContact NH1-OH 2.91Å; M127-Y141 HydrophobicContact CG-CD2 3.75Å; M127-Y141 HydrophobicContact CG-CG 4.47Å; R139-Y141 VanDerWaalsContact C-N 3.3Å; R139-Y141 HydrophobicContact CB-CD1 4.29Å; R139-Y141 HydrophobicContact CB-CD2 4.4Å; R139-Y141 HydrophobicContact CB-CE1 4.01Å; R139-Y141 HydrophobicContact CB-CE2 4.14Å; R139-Y141 HydrophobicContact CB-CG 4.48Å; R139-Y141 PolarHBondContact O-N 3.39Å; Y141-R150 HydrophobicContact CE1-CB 4.18Å
142K82.6Confident83.1Confident168 Ų16874.7 Ų74.773%0.7337%0.366SS*.SBendtrans-62.2-52.1177.1-70.3-175.9176.2-176.70110N140 D146N140-K142 PolarHBondContact O-N 3.35Å; K142-D146 HydrophobicContact CB-CB 4.29Å; K142-D146 PolarHBondContact N-OD2 3.39Å
143N87Confident84.4Confident94 Ų9480.5 Ų80.550%0.50339%0.386SS..SBendtrans-140.8169.2-174.5-48.9-10000109.4I145 D146 G147N143-I145 VanDerWaalsContact C-N 3.25Å; N143-I145 PolarHBondContact O-N 3Å; N143-D146 PolarHBondContact O-N 2.88Å; N143-G147 PolarHBondContact O-N 3.38Å
144C89Confident85.4Confident11 Ų1185.2 Ų85.27%0.07441%0.407CS..Hα-helixtrans-56.8-36.317459.90000113.9S69 A70 L73 I123 M127 G147 L148S69-C144 PolarHBondContact O-SG 3.36Å; S69-C144 PolarHBondContact OG-N 3.49Å; A70-C144 HydrophobicContact CB-CB 3.83Å; L73-C144 HydrophobicContact CB-CB 4.42Å; L73-C144 HydrophobicContact CD2-CB 3.94Å; I123-C144 HydrophobicContact CG2-CB 4.36Å; M127-C144 HydrophobicContact SD-CB 4.46Å; C144-G147 PolarHBondContact O-N 2.99Å; C144-L148 PolarHBondContact O-N 3.05Å
145I91.6Very high86.2Confident106 Ų10686.1 Ų86.154%0.54441%0.405SS..Hα-helixtrans-67.4-45177.7-58.3176.2000110.9N143 G147 L148 I149N143-I145 VanDerWaalsContact C-N 3.25Å; N143-I145 PolarHBondContact O-N 3Å; I145-G147 VanDerWaalsContact C-N 3.29Å; I145-G147 PolarHBondContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 3.29Å; I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 HydrophobicContact CG2-CG1 4.39Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 2.87Å
146D91.3Very high86.8Confident37 Ų3781.1 Ų81.120%0.19839%0.387CS..Hα-helixtrans-61-41.9175.2179.145000110.6K142 N143 I149 R150K142-D146 HydrophobicContact CB-CB 4.29Å; K142-D146 PolarHBondContact N-OD2 3.39Å; N143-D146 PolarHBondContact O-N 2.88Å; D146-I149 PolarHBondContact O-N 3.15Å; D146-R150 WeakPolarHBondContact O-CB 3.33Å; D146-R150 VanDerWaalsContact O-CG 3.31Å; D146-R150 WeakPolarHBondContact O-CG 3.33Å; D146-R150 PolarHBondContact O-N 3.25Å; D146-R150 IonicContact OD1-CZ 3.7Å; D146-R150 IonicContact OD1-NE 3.77Å; D146-R150 PolarHBondContact OD1-NE 3.18Å; D146-R150 IonicContact OD1-NH2 2.74Å; D146-R150 PolarHBondContact OD1-NH2 2.76Å; D146-R150 IonicContact OD2-CZ 3.73Å; D146-R150 VanDerWaalsContact OD2-CZ 3.27Å; D146-R150 IonicContact OD2-NE 3Å; D146-R150 PolarHBondContact OD2-NE 3.48Å; D146-R150 IonicContact OD2-NH2 2.65Å; D146-R150 PolarHBondContact OD2-NH2 3.34Å
147G89.3Confident87.4Confident0 Ų076.1 Ų76.10%037%0.368CS..Hα-helixtrans-57.6-49.2172.500000112.9I123 N143 C144 I145 R150 V151I123-G147 VanDerWaalsContact CD1-C 3.43Å; I123-G147 WeakPolarHBondContact CD1-O 3.45Å; N143-G147 PolarHBondContact O-N 3.38Å; C144-G147 PolarHBondContact O-N 2.99Å; I145-G147 VanDerWaalsContact C-N 3.29Å; I145-G147 PolarHBondContact O-N 3.09Å; G147-R150 PolarHBondContact O-N 3.32Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.31Å; G147-V151 PolarHBondContact O-N 3.38Å
148L91.2Very high87.9Confident42 Ų4277.4 Ų77.422%0.2238%0.377CS..Hα-helixtrans-59-50.6177.2-81.1172.2000111.8L73 P119 I123 C144 I145 R150 V151 V152 L160L73-L148 HydrophobicContact CD2-CD1 3.62Å; P119-L148 HydrophobicContact CB-CD2 3.84Å; I123-L148 HydrophobicContact CG1-CD2 3.81Å; I123-L148 HydrophobicContact CG1-CG 3.95Å; C144-L148 PolarHBondContact O-N 3.05Å; I145-L148 PolarHBondContact O-N 3.29Å; L148-R150 PolarHBondContact O-N 3.04Å; L148-V151 PolarHBondContact O-N 3.19Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.05Å; L148-L160 HydrophobicContact CD2-CD1 4.23Å; L148-L160 HydrophobicContact CD2-CD2 3.81Å
149I92.9Very high88.3Confident88 Ų8877.5 Ų77.545%0.45138%0.379SS..Hα-helixtrans-60.6-45.9-178.2-68.3169.7000110.6I145 D146 V151 V152 R153I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 HydrophobicContact CG2-CG1 4.39Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 2.87Å; D146-I149 PolarHBondContact O-N 3.15Å; I149-V151 PolarHBondContact O-N 3.43Å; I149-V152 PolarHBondContact O-N 3.48Å; I149-R153 VanDerWaalsContact O-CB 3.28Å; I149-R153 WeakPolarHBondContact O-CB 3.49Å; I149-R153 PolarHBondContact O-N 2.87Å
150R91.2Very high88.6Confident81 Ų8173.6 Ų73.631%0.30637%0.366SS..Hα-helixtrans-64.8-40.4-179.9-73.7-174.2-161.9-170.19.5112.4Y141 D146 G147 L148 R153 H154Y141-R150 HydrophobicContact CE1-CB 4.18Å; D146-R150 WeakPolarHBondContact O-CB 3.33Å; D146-R150 VanDerWaalsContact O-CG 3.31Å; D146-R150 WeakPolarHBondContact O-CG 3.33Å; D146-R150 PolarHBondContact O-N 3.25Å; D146-R150 IonicContact OD1-CZ 3.7Å; D146-R150 IonicContact OD1-NE 3.77Å; D146-R150 PolarHBondContact OD1-NE 3.18Å; D146-R150 IonicContact OD1-NH2 2.74Å; D146-R150 PolarHBondContact OD1-NH2 2.76Å; D146-R150 IonicContact OD2-CZ 3.73Å; D146-R150 VanDerWaalsContact OD2-CZ 3.27Å; D146-R150 IonicContact OD2-NE 3Å; D146-R150 PolarHBondContact OD2-NE 3.48Å; D146-R150 IonicContact OD2-NH2 2.65Å; D146-R150 PolarHBondContact OD2-NH2 3.34Å; G147-R150 PolarHBondContact O-N 3.32Å; L148-R150 PolarHBondContact O-N 3.04Å; R150-R153 PolarHBondContact O-N 3.25Å; R150-H154 WeakPolarHBondContact O-CB 3.33Å; R150-H154 PolarHBondContact O-CD2 2.9Å; R150-H154 PolarHBondContact O-N 3.47Å
151V89.6Confident88.9Confident0 Ų073.5 Ų73.50%036%0.361CS..Hα-helixtrans-63.3-47.6176.1170.70000110.5M122 I123 G147 L148 I149 R153 E155 G156 K159 L160M122-V151 HydrophobicContact CE-CB 4.28Å; M122-V151 HydrophobicContact CE-CG1 3.76Å; M122-V151 HydrophobicContact CE-CG2 3.77Å; I123-V151 HydrophobicContact CD1-CB 4.38Å; I123-V151 HydrophobicContact CD1-CG2 3.62Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.31Å; G147-V151 PolarHBondContact O-N 3.38Å; L148-V151 PolarHBondContact O-N 3.19Å; I149-V151 PolarHBondContact O-N 3.43Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.89Å; V151-E155 HydrophobicContact CG1-CB 4.31Å; V151-E155 CarbonylContact O-C 3.58Å; V151-E155 WeakPolarHBondContact O-CA 3.48Å; V151-E155 WeakPolarHBondContact O-CB 3.41Å; V151-E155 PolarHBondContact O-N 2.91Å; V151-G156 PolarHBondContact O-N 3.28Å; V151-G156 VanDerWaalsContact O-N 3.09Å; V151-K159 HydrophobicContact CG1-CB 4.34Å; V151-L160 HydrophobicContact CB-CD2 4.11Å; V151-L160 HydrophobicContact CG1-CD2 3.62Å; V151-L160 HydrophobicContact CG1-CG 3.99Å
152V92.4Very high88.9Confident74 Ų7476.5 Ų76.545%0.44838%0.379SS..Hα-helixtrans-59.6-42.3178.8174.40000110.9L148 I149 G156 L160L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.05Å; I149-V152 PolarHBondContact O-N 3.48Å; V152-G156 WeakPolarHBondContact O-CA 3.41Å; V152-G156 PolarHBondContact O-N 2.94Å; V152-L160 HydrophobicContact CG2-CD1 3.52Å; V152-L160 HydrophobicContact CG2-CG 4.43Å
153R92.5Very high88.7Confident195 Ų19570.5 Ų70.574%0.73636%0.364SS*.Hα-helixtrans-74.2-39.8-176.8-175.3175.7-80179.7-5.5113.8I149 R150 V151I149-R153 VanDerWaalsContact O-CB 3.28Å; I149-R153 WeakPolarHBondContact O-CB 3.49Å; I149-R153 PolarHBondContact O-N 2.87Å; R150-R153 PolarHBondContact O-N 3.25Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.89Å
154H91.5Very high88.7Confident142 Ų14267.8 Ų67.866%0.65735%0.351SS*.Hα-helixtrans-103.6-28.5-171.3-63-65.4000114.4R150R150-H154 WeakPolarHBondContact O-CB 3.33Å; R150-H154 PolarHBondContact O-CD2 2.9Å; R150-H154 PolarHBondContact O-N 3.47Å
155E88.3Confident88.6Confident86 Ų8671.1 Ų71.140%0.40237%0.374SS..THydrogen-bonded Turntrans-114.2-11-176.6-63.9175.7-130.200113.1R126 V151 K159R126-E155 IonicContact CZ-OE1 3.07Å; R126-E155 IonicContact CZ-OE2 2.6Å; R126-E155 VanDerWaalsContact NH1-CD 3.31Å; R126-E155 IonicContact NH1-OE1 3.53Å; R126-E155 PolarHBondContact NH1-OE1 2.91Å; R126-E155 IonicContact NH1-OE2 3.17Å; R126-E155 PolarHBondContact NH1-OE2 3.02Å; R126-E155 IonicContact NH2-OE1 2.9Å; R126-E155 IonicContact NH2-OE2 3.88Å; R126-E155 PolarHBondContact NH2-OE2 3.28Å; V151-E155 HydrophobicContact CG1-CB 4.31Å; V151-E155 CarbonylContact O-C 3.58Å; V151-E155 WeakPolarHBondContact O-CA 3.48Å; V151-E155 WeakPolarHBondContact O-CB 3.41Å; V151-E155 PolarHBondContact O-N 2.91Å; E155-K159 HydrophobicContact CB-CB 4.16Å; E155-K159 HydrophobicContact CB-CG 4.09Å
156G86.1Confident88.1Confident30 Ų3067.2 Ų67.231%0.30935%0.354SS..  trans88.7144-177.900000113.2V151 V152 I158 K159V151-G156 PolarHBondContact O-N 3.28Å; V151-G156 VanDerWaalsContact O-N 3.09Å; V152-G156 WeakPolarHBondContact O-CA 3.41Å; V152-G156 PolarHBondContact O-N 2.94Å; G156-I158 PolarHBondContact O-N 3.47Å; G156-K159 WeakPolarHBondContact O-CB 3.48Å; G156-K159 PolarHBondContact O-N 2.92Å
157G87.9Confident87.7Confident31 Ų3166.5 Ų66.532%0.3235%0.351SS..G310 helixtrans-59.7-29.4-177.200000114.4K159 L160G157-K159 PolarHBondContact O-N 3.21Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.19Å; G157-L160 VanDerWaalsContact O-N 3.15Å
158I88.6Confident87.8Confident146 Ų14666.5 Ų66.575%0.74935%0.351SS*.G310 helixtrans-61-31.9176.4-64.3170.7000111G156 L160 F161G156-I158 PolarHBondContact O-N 3.47Å; I158-L160 PolarHBondContact O-N 3.44Å; I158-L160 VanDerWaalsContact O-N 3.16Å; I158-F161 PolarHBondContact O-N 2.74Å
159K87.5Confident87.7Confident81 Ų8166.4 Ų66.435%0.35235%0.354SS..G310 helixtrans-60.1-29.1179.5-163.473.2176.7-173.10112.6V151 E155 G156 G157 F161 N162V151-K159 HydrophobicContact CG1-CB 4.34Å; E155-K159 HydrophobicContact CB-CB 4.16Å; E155-K159 HydrophobicContact CB-CG 4.09Å; G156-K159 WeakPolarHBondContact O-CB 3.48Å; G156-K159 PolarHBondContact O-N 2.92Å; G157-K159 PolarHBondContact O-N 3.21Å; K159-F161 PolarHBondContact O-N 2.91Å; K159-N162 PolarHBondContact NZ-ND2 3.46Å; K159-N162 WeakPolarHBondContact O-CB 3.19Å; K159-N162 PolarHBondContact O-N 2.85Å; K159-N162 VanDerWaalsContact O-N 3.13Å
160L87.4Confident87.5Confident14 Ų1464.3 Ų64.37%0.07334%0.341CS..G310 helixtrans-63.8-19.5176.2-66.7173.1000113.3N118 P119 M122 L148 V151 V152 G157 I158N118-L160 PolarHBondContact ND2-O 2.94Å; P119-L160 HydrophobicContact CB-CB 4.07Å; P119-L160 HydrophobicContact CB-CD1 4.22Å; P119-L160 HydrophobicContact CB-CD2 4.17Å; P119-L160 HydrophobicContact CB-CG 4.41Å; P119-L160 HydrophobicContact CG-CB 4.14Å; M122-L160 HydrophobicContact CE-CD2 3.78Å; L148-L160 HydrophobicContact CD2-CD1 4.23Å; L148-L160 HydrophobicContact CD2-CD2 3.81Å; V151-L160 HydrophobicContact CB-CD2 4.11Å; V151-L160 HydrophobicContact CG1-CD2 3.62Å; V151-L160 HydrophobicContact CG1-CG 3.99Å; V152-L160 HydrophobicContact CG2-CD1 3.52Å; V152-L160 HydrophobicContact CG2-CG 4.43Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.19Å; G157-L160 VanDerWaalsContact O-N 3.15Å; I158-L160 PolarHBondContact O-N 3.44Å; I158-L160 VanDerWaalsContact O-N 3.16Å
161F88.2Confident87.5Confident92 Ų9260.7 Ų60.740%0.40433%0.328SS..G310 helixtrans-1028.3178.8-63.7-83.4000112.8N118 P119 I158 K159 G163 V164N118-F161 WeakPolarHBondContact ND2-CA 3.17Å; P119-F161 HydrophobicContact CG-CE1 4.3Å; P119-F161 HydrophobicContact CG-CZ 4.16Å; I158-F161 PolarHBondContact O-N 2.74Å; K159-F161 PolarHBondContact O-N 2.91Å; F161-G163 PolarHBondContact O-N 3.23Å; F161-V164 HydrophobicContact CB-CB 4.38Å; F161-V164 HydrophobicContact CB-CG1 4.34Å; F161-V164 HydrophobicContact CD1-CG2 4.33Å; F161-V164 VanDerWaalsContact O-CB 3.24Å; F161-V164 WeakPolarHBondContact O-CB 3.25Å; F161-V164 VanDerWaalsContact O-CG1 3.25Å; F161-V164 WeakPolarHBondContact O-CG1 3.34Å; F161-V164 PolarHBondContact O-N 2.81Å
162N80.9Confident87.7Confident89 Ų8961.1 Ų61.148%0.47633%0.331SS..THydrogen-bonded Turntrans-60.6128.6172.4-88.616.5000110.4N118 K159 V164N118-N162 PolarHBondContact ND2-O 2.9Å; K159-N162 PolarHBondContact NZ-ND2 3.46Å; K159-N162 WeakPolarHBondContact O-CB 3.19Å; K159-N162 PolarHBondContact O-N 2.85Å; K159-N162 VanDerWaalsContact O-N 3.13Å; N162-V164 VanDerWaalsContact C-N 3.26Å; N162-V164 PolarHBondContact O-N 3.19Å
163G79Confident87.8Confident42 Ų4260.8 Ų60.843%0.43332%0.324SS..THydrogen-bonded Turntrans75.59-17800000114.8F161 S165 M166 T167F161-G163 PolarHBondContact O-N 3.23Å; G163-S165 PolarHBondContact O-N 3.42Å; G163-M166 PolarHBondContact O-N 3.35Å; G163-M166 VanDerWaalsContact O-N 3.11Å; G163-T167 PolarHBondContact O-N 3.4Å; G163-T167 PolarHBondContact O-OG1 3.16Å; G163-T167 VanDerWaalsContact O-OG1 3.14Å
164V87Confident87.7Confident37 Ų3752.6 Ų52.622%0.22429%0.294CS..Hα-helixtrans-56.7-36.4-177.568.50000112.8V115 N118 F161 N162 M166 T167 A168V115-V164 HydrophobicContact CB-CG2 4.27Å; V115-V164 HydrophobicContact CG1-CG2 4.31Å; V115-V164 HydrophobicContact CG2-CG2 4.03Å; N118-V164 HydrophobicContact CB-CB 4.4Å; N118-V164 HydrophobicContact CB-CG2 4.04Å; F161-V164 HydrophobicContact CB-CB 4.38Å; F161-V164 HydrophobicContact CB-CG1 4.34Å; F161-V164 HydrophobicContact CD1-CG2 4.33Å; F161-V164 VanDerWaalsContact O-CB 3.24Å; F161-V164 WeakPolarHBondContact O-CB 3.25Å; F161-V164 VanDerWaalsContact O-CG1 3.25Å; F161-V164 WeakPolarHBondContact O-CG1 3.34Å; F161-V164 PolarHBondContact O-N 2.81Å; N162-V164 VanDerWaalsContact C-N 3.26Å; N162-V164 PolarHBondContact O-N 3.19Å; V164-M166 PolarHBondContact O-N 3.4Å; V164-T167 PolarHBondContact O-N 3.03Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.44Å
165S85.3Confident87.8Confident80 Ų8045.9 Ų45.956%0.55926%0.263SS*.Hα-helixtrans-59.8-46.5177.955.60000111.8G163 S169G163-S165 PolarHBondContact O-N 3.42Å; S165-S169 VanDerWaalsContact O-CB 3.29Å; S165-S169 WeakPolarHBondContact O-CB 3.2Å; S165-S169 PolarHBondContact O-N 3.28Å; S165-S169 PolarHBondContact O-OG 3.45Å
166M81.1Confident88.1Confident24 Ų2442.8 Ų42.812%0.11825%0.249CC..Hα-helixtrans-67.2-43.6177.4-178.396.4-77.500111.2G163 V164 R170 F220 K224 L238G163-M166 PolarHBondContact O-N 3.35Å; G163-M166 VanDerWaalsContact O-N 3.11Å; V164-M166 PolarHBondContact O-N 3.4Å; M166-R170 VanDerWaalsContact O-CB 3.31Å; M166-R170 WeakPolarHBondContact O-CB 3.4Å; M166-R170 PolarHBondContact O-N 3.11Å; M166-F220 HydrophobicContact CE-CD1 3.97Å; M166-K224 HydrophobicContact CG-CB 4.49Å; M166-K224 HydrophobicContact CG-CD 3.91Å; M166-K224 HydrophobicContact CG-CG 4.21Å; M166-K224 HydrophobicContact SD-CB 3.84Å; M166-K224 HydrophobicContact SD-CD 4.38Å; M166-K224 HydrophobicContact SD-CG 4.11Å; M166-L238 HydrophobicContact CE-CD1 3.63Å; M166-L238 HydrophobicContact CE-CD2 3.99Å; M166-L238 HydrophobicContact CE-CG 4.49Å; M166-L238 HydrophobicContact SD-CD1 3.69Å; M166-L238 HydrophobicContact SD-CD2 3.69Å; M166-L238 HydrophobicContact SD-CG 4.3Å
167T84.2Confident88.4Confident22 Ų2241.4 Ų41.414%0.13524%0.235CC..Hα-helixtrans-65.9-45.2-179.2-52.50000111.5N118 G163 V164 A171N118-T167 WeakPolarHBondContact OD1-CB 3.38Å; N118-T167 PolarHBondContact OD1-OG1 2.85Å; G163-T167 PolarHBondContact O-N 3.4Å; G163-T167 PolarHBondContact O-OG1 3.16Å; G163-T167 VanDerWaalsContact O-OG1 3.14Å; V164-T167 PolarHBondContact O-N 3.03Å; T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 2.79Å
168A90.6Very high88.5Confident0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-67.9-43.5179.600000112.4F111 V115 V164 A171 A172F111-A168 HydrophobicContact CD1-CB 4.5Å; F111-A168 HydrophobicContact CD2-CB 3.67Å; F111-A168 HydrophobicContact CE1-CB 4.43Å; F111-A168 HydrophobicContact CE2-CB 3.59Å; F111-A168 HydrophobicContact CG-CB 4.15Å; F111-A168 HydrophobicContact CZ-CB 3.99Å; V115-A168 HydrophobicContact CG2-CB 3.84Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.44Å; A168-A171 WeakPolarHBondContact O-CB 3.5Å; A168-A171 PolarHBondContact O-N 3.48Å; A168-A172 PolarHBondContact O-N 2.89Å
169S89.2Confident88.5Confident40 Ų4033.2 Ų33.228%0.2819%0.185SC..Hα-helixtrans-61.7-47.5175-66.20000111.5S165 A171 A172 F173S165-S169 VanDerWaalsContact O-CB 3.29Å; S165-S169 WeakPolarHBondContact O-CB 3.2Å; S165-S169 PolarHBondContact O-N 3.28Å; S165-S169 PolarHBondContact O-OG 3.45Å; S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.95Å; S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.67Å; S169-F173 WeakPolarHBondContact O-CD2 3.35Å; S169-F173 PolarHBondContact O-N 3.36Å
170R88.5Confident88.7Confident45 Ų4529.4 Ų29.417%0.1717%0.169CC..Hα-helixtrans-57.5-44.9174.6-177-161.8159.2111.629.2111M166 A172 F173 M174 D221M166-R170 VanDerWaalsContact O-CB 3.31Å; M166-R170 WeakPolarHBondContact O-CB 3.4Å; M166-R170 PolarHBondContact O-N 3.11Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.3Å; R170-F173 PolarHBondContact O-N 2.9Å; R170-M174 WeakPolarHBondContact O-CB 3.45Å; R170-M174 PolarHBondContact O-N 2.81Å; R170-D221 IonicContact CZ-OD1 3.51Å; R170-D221 IonicContact CZ-OD2 2.95Å; R170-D221 IonicContact NE-OD1 3.69Å; R170-D221 IonicContact NH1-OD1 2.85Å; R170-D221 PolarHBondContact NH1-OD1 2.89Å; R170-D221 IonicContact NH1-OD2 3.14Å; R170-D221 PolarHBondContact NH1-OD2 3.01Å; R170-D221 IonicContact NH2-OD1 3.27Å; R170-D221 IonicContact NH2-OD2 3.22Å; R170-D221 PolarHBondContact NH2-OD2 3.14Å
171A91.5Very high88.9Confident5 Ų531 Ų314%0.04118%0.175CC..Hα-helixtrans-62.8-37.5-179.400000112.9Y78 G110 T167 A168 S169 T175Y78-A171 HydrophobicContact CE2-CB 3.65Å; G110-A171 WeakPolarHBondContact O-CB 3.48Å; T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 2.79Å; A168-A171 WeakPolarHBondContact O-CB 3.5Å; A168-A171 PolarHBondContact O-N 3.48Å; S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.95Å; A171-T175 VanDerWaalsContact O-CB 3.26Å; A171-T175 WeakPolarHBondContact O-CB 3.27Å; A171-T175 PolarHBondContact O-N 2.87Å; A171-T175 PolarHBondContact O-OG1 3.5Å
172A94.1Very high88.9Confident8 Ų826.9 Ų26.97%0.06616%0.157CC..Hα-helixtrans-59-56.2173.500000111.4L107 F111 A168 S169 R170 M174 T175 L176L107-A172 HydrophobicContact CD2-CB 3.99Å; L107-A172 WeakPolarHBondContact O-CB 3.11Å; F111-A172 HydrophobicContact CB-CB 4.09Å; A168-A172 PolarHBondContact O-N 2.89Å; S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.67Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.3Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.48Å; A172-T175 PolarHBondContact O-N 3.37Å; A172-L176 PolarHBondContact O-N 3.32Å
173F93.4Very high89.2Confident67 Ų6724 Ų2429%0.29414%0.141SC..Hα-helixtrans-64.8-36.3-179.5-74.9-69.1000113.1L107 S169 R170 G177 I216 T217 F220L107-F173 HydrophobicContact CD2-CD1 4.26Å; L107-F173 HydrophobicContact CD2-CE1 4.44Å; S169-F173 WeakPolarHBondContact O-CD2 3.35Å; S169-F173 PolarHBondContact O-N 3.36Å; R170-F173 PolarHBondContact O-N 2.9Å; F173-G177 PolarHBondContact O-N 3.37Å; F173-I216 HydrophobicContact CB-CG2 3.85Å; F173-I216 HydrophobicContact CD1-CG2 3.55Å; F173-I216 HydrophobicContact CG-CG2 4.04Å; F173-T217 HydrophobicContact CB-CG2 3.93Å; F173-F220 HydrophobicContact CD2-CD2 4.19Å; F173-F220 HydrophobicContact CD2-CE1 4.42Å; F173-F220 AromaticContact CD2-CE2 3.49Å; F173-F220 HydrophobicContact CD2-CE2 3.49Å; F173-F220 VanDerWaalsContact CD2-CE2 3.49Å; F173-F220 AromaticContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CE2-CE1 4.16Å; F173-F220 AromaticContact CE2-CE2 3.61Å; F173-F220 HydrophobicContact CE2-CE2 3.61Å; F173-F220 AromaticContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CG-CE2 4.03Å; F173-F220 HydrophobicContact CZ-CE2 4.19Å; F173-F220 AromaticContact CZ-CZ 3.98Å; F173-F220 HydrophobicContact CZ-CZ 3.98Å
174M91.3Very high89.7Confident24 Ų2427 Ų2712%0.11814%0.143CC..Hα-helixtrans-64.8-41.8175.1-173.9162.6164.100111.4R170 A172 G177 Q178 T217 L264R170-M174 WeakPolarHBondContact O-CB 3.45Å; R170-M174 PolarHBondContact O-N 2.81Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.48Å; M174-G177 PolarHBondContact O-N 3.27Å; M174-Q178 HydrophobicContact CG-CG 4.5Å; M174-Q178 VanDerWaalsContact O-CB 3.31Å; M174-Q178 WeakPolarHBondContact O-CB 3.26Å; M174-Q178 WeakPolarHBondContact O-CG 3.44Å; M174-Q178 PolarHBondContact O-N 3.19Å; M174-T217 HydrophobicContact CB-CG2 3.85Å; M174-L264 HydrophobicContact CE-CD1 3.31Å; M174-L264 HydrophobicContact SD-CD1 4.48Å
175T93.2Very high89.8Confident0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-70.3-38.5178.9-58.20000111.3Y78 R82 A106 G110 A171 A172 Q178 L179Y78-T175 PolarHBondContact OH-OG1 3.17Å; R82-T175 HydrophobicContact CB-CG2 4.19Å; R82-T175 HydrophobicContact CG-CG2 4.41Å; A106-T175 HydrophobicContact CB-CG2 4.32Å; A106-T175 WeakPolarHBondContact O-CB 3.48Å; A106-T175 WeakPolarHBondContact O-CG2 3.36Å; G110-T175 VanDerWaalsContact CA-OG1 3.25Å; G110-T175 WeakPolarHBondContact CA-OG1 3.3Å; A171-T175 VanDerWaalsContact O-CB 3.26Å; A171-T175 WeakPolarHBondContact O-CB 3.27Å; A171-T175 PolarHBondContact O-N 2.87Å; A171-T175 PolarHBondContact O-OG1 3.5Å; A172-T175 PolarHBondContact O-N 3.37Å; T175-Q178 PolarHBondContact O-N 3.14Å; T175-L179 HydrophobicContact CG2-CD1 3.76Å; T175-L179 HydrophobicContact CG2-CD2 4.15Å; T175-L179 HydrophobicContact CG2-CG 4.35Å; T175-L179 WeakPolarHBondContact O-CB 3.43Å; T175-L179 PolarHBondContact O-N 2.92Å
176L94.3Very high89.8Confident22 Ų2225 Ų2512%0.11512%0.121CC..Iπ-helixtrans-54.2-55.2169.7173.464.4000111.3S103 L107 A172 Q178 A180 F181S103-L176 VanDerWaalsContact CB-CD1 3.41Å; S103-L176 WeakPolarHBondContact OG-CD1 3.22Å; L107-L176 HydrophobicContact CD1-CD2 4.38Å; L107-L176 HydrophobicContact CD2-CB 3.98Å; L107-L176 HydrophobicContact CD2-CD2 3.99Å; L107-L176 HydrophobicContact CG-CB 4.16Å; L107-L176 HydrophobicContact CG-CD2 4.18Å; A172-L176 PolarHBondContact O-N 3.32Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.01Å; L176-A180 HydrophobicContact CD1-CB 3.99Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.32Å; L176-F181 PolarHBondContact O-N 3.29Å
177G92.1Very high90Very high0 Ų027.4 Ų27.40%013%0.134CC..Iπ-helixtrans-65.3-32-179.400000113.9F173 M174 F181 A209F173-G177 PolarHBondContact O-N 3.37Å; M174-G177 PolarHBondContact O-N 3.27Å; G177-F181 WeakPolarHBondContact O-CB 3.29Å; G177-A209 VanDerWaalsContact O-O 3.07Å
178Q90.4Very high90.1Very high2 Ų231.8 Ų31.81%0.00915%0.154CC..Iπ-helixtrans-86.1-47.1-178.6-76.2-174.3-4600113.5M174 T175 L176 Y182 A213 T268 F272M174-Q178 HydrophobicContact CG-CG 4.5Å; M174-Q178 VanDerWaalsContact O-CB 3.31Å; M174-Q178 WeakPolarHBondContact O-CB 3.26Å; M174-Q178 WeakPolarHBondContact O-CG 3.44Å; M174-Q178 PolarHBondContact O-N 3.19Å; T175-Q178 PolarHBondContact O-N 3.14Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.01Å; Q178-Y182 WeakPolarHBondContact O-CB 3.37Å; Q178-Y182 PolarHBondContact O-N 3.1Å; Q178-A213 HydrophobicContact CG-CB 3.88Å; Q178-T268 HydrophobicContact CG-CG2 4.3Å; Q178-T268 PolarHBondContact NE2-OG1 3.08Å; Q178-F272 WeakPolarHBondContact O-CZ 3.36Å
179L89Confident90Very high3 Ų332.9 Ų32.92%0.01616%0.159CC..Iπ-helixtrans-89.1-57-172.9-78.872000111.2R82 F83 Y86 T175 F181 Y182 D183R82-L179 VanDerWaalsContact NH1-CD1 3.33Å; F83-L179 HydrophobicContact CD1-CD2 3.9Å; F83-L179 HydrophobicContact CE1-CD1 4.38Å; F83-L179 HydrophobicContact CE1-CD2 3.97Å; F83-L179 HydrophobicContact CE1-CG 4.07Å; F83-L179 HydrophobicContact CG-CD2 4.46Å; F83-L179 HydrophobicContact CZ-CD1 4.29Å; F83-L179 HydrophobicContact CZ-CG 4.46Å; Y86-L179 HydrophobicContact CD1-CB 4.38Å; Y86-L179 HydrophobicContact CD1-CD2 3.62Å; Y86-L179 HydrophobicContact CD1-CG 4.5Å; Y86-L179 HydrophobicContact CD2-CB 4.48Å; Y86-L179 HydrophobicContact CD2-CD2 4.2Å; Y86-L179 HydrophobicContact CE1-CB 4.19Å; Y86-L179 HydrophobicContact CE1-CD2 4.25Å; Y86-L179 HydrophobicContact CE2-CB 4.32Å; Y86-L179 HydrophobicContact CG-CD2 3.58Å; T175-L179 HydrophobicContact CG2-CD1 3.76Å; T175-L179 HydrophobicContact CG2-CD2 4.15Å; T175-L179 HydrophobicContact CG2-CG 4.35Å; T175-L179 WeakPolarHBondContact O-CB 3.43Å; T175-L179 PolarHBondContact O-N 2.92Å; L179-F181 PolarHBondContact O-N 3Å; L179-Y182 PolarHBondContact O-N 2.82Å; L179-D183 PolarHBondContact O-N 3.14Å
180A91.1Very high89.7Confident1 Ų134 Ų341%0.00816%0.161CC..Iπ-helixtrans-64.2-41.5-174.600000112F99 A106 L176 K184F99-A180 HydrophobicContact CE2-CB 4.22Å; A106-A180 HydrophobicContact CB-CB 4.04Å; L176-A180 HydrophobicContact CD1-CB 3.99Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.32Å; A180-K184 WeakPolarHBondContact O-CB 3.1Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.1Å
181F91.4Very high89.5Confident48 Ų4837.8 Ų37.821%0.21119%0.185CC..Hα-helixtrans-73.8-31.8175.1-81.4-90000113.2F99 L176 G177 L179 K184 F185 V212 I216F99-F181 HydrophobicContact CE2-CD1 4.5Å; F99-F181 HydrophobicContact CE2-CD2 4.3Å; F99-F181 HydrophobicContact CE2-CE1 4.5Å; F99-F181 HydrophobicContact CE2-CE2 4.32Å; F99-F181 HydrophobicContact CE2-CG 4.41Å; F99-F181 HydrophobicContact CE2-CZ 4.42Å; F99-F181 HydrophobicContact CZ-CD2 4.16Å; F99-F181 HydrophobicContact CZ-CE1 4.09Å; F99-F181 AromaticContact CZ-CE2 3.73Å; F99-F181 HydrophobicContact CZ-CE2 3.73Å; F99-F181 AromaticContact CZ-CZ 3.69Å; F99-F181 HydrophobicContact CZ-CZ 3.69Å; L176-F181 PolarHBondContact O-N 3.29Å; G177-F181 WeakPolarHBondContact O-CB 3.29Å; L179-F181 PolarHBondContact O-N 3Å; F181-K184 PolarHBondContact O-N 3.16Å; F181-F185 HydrophobicContact CB-CD2 4.18Å; F181-F185 HydrophobicContact CB-CE2 3.97Å; F181-F185 AromaticContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CZ 4.02Å; F181-F185 HydrophobicContact CG-CE2 4.44Å; F181-F185 WeakPolarHBondContact O-CB 3.43Å; F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 VanDerWaalsContact O-CG 3.3Å; F181-F185 WeakPolarHBondContact O-CG 3.26Å; F181-F185 PolarHBondContact O-N 3.44Å; F181-V212 HydrophobicContact CD1-CB 4.35Å; F181-V212 HydrophobicContact CD1-CG1 3.86Å; F181-V212 HydrophobicContact CD1-CG2 4.18Å; F181-V212 HydrophobicContact CD2-CG1 3.72Å; F181-V212 HydrophobicContact CE1-CG1 3.83Å; F181-V212 HydrophobicContact CE1-CG2 4.46Å; F181-V212 HydrophobicContact CE2-CG1 3.67Å; F181-V212 HydrophobicContact CG-CB 4.31Å; F181-V212 HydrophobicContact CG-CG1 3.79Å; F181-V212 HydrophobicContact CZ-CG1 3.73Å; F181-I216 HydrophobicContact CE2-CD1 4.05Å
182Y89.6Confident89.2Confident5 Ų541.2 Ų41.22%0.0221%0.209CC..Hα-helixtrans-61-49.5172.4169.6-97.1000111.1Q178 L179 K184 F185 K186 H202 A205 F272 E276Q178-Y182 WeakPolarHBondContact O-CB 3.37Å; Q178-Y182 PolarHBondContact O-N 3.1Å; L179-Y182 PolarHBondContact O-N 2.82Å; Y182-K184 VanDerWaalsContact C-N 3.27Å; Y182-K184 PolarHBondContact O-N 3.13Å; Y182-F185 PolarHBondContact O-N 3.25Å; Y182-K186 HydrophobicContact CE1-CD 4.13Å; Y182-K186 VanDerWaalsContact O-CB 3.26Å; Y182-K186 WeakPolarHBondContact O-CB 3.42Å; Y182-K186 PolarHBondContact O-N 3.36Å; Y182-H202 PolarHBondContact OH-ND1 2.75Å; Y182-A205 HydrophobicContact CD2-CB 3.96Å; Y182-A205 HydrophobicContact CE2-CB 3.93Å; Y182-F272 AromaticContact CD1-CD1 3.83Å; Y182-F272 HydrophobicContact CD1-CD1 3.83Å; Y182-F272 AromaticContact CD1-CE1 3.46Å; Y182-F272 HydrophobicContact CD1-CE1 3.46Å; Y182-F272 VanDerWaalsContact CD1-CE1 3.46Å; Y182-F272 AromaticContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD2-CD1 4.04Å; Y182-F272 HydrophobicContact CD2-CD2 4.02Å; Y182-F272 HydrophobicContact CD2-CE1 4.14Å; Y182-F272 HydrophobicContact CD2-CE2 4.11Å; Y182-F272 AromaticContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CZ 4.17Å; Y182-F272 AromaticContact CE1-CD1 3.63Å; Y182-F272 HydrophobicContact CE1-CD1 3.63Å; Y182-F272 AromaticContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CG 4.42Å; Y182-F272 HydrophobicContact CE2-CB 4.06Å; Y182-F272 AromaticContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD2 4.27Å; Y182-F272 HydrophobicContact CE2-CE1 4.37Å; Y182-F272 AromaticContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CG-CD1 4.02Å; Y182-F272 HydrophobicContact CG-CD2 4.39Å; Y182-F272 AromaticContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE2 4.06Å; Y182-F272 HydrophobicContact CG-CG 4.37Å; Y182-F272 AromaticContact CG-CZ 3.7Å; Y182-F272 HydrophobicContact CG-CZ 3.7Å; Y182-F272 AromaticContact CZ-CD1 3.64Å; Y182-E276 PolarHBondContact OH-OE1 2.78Å
183D86.4Confident88.2Confident28 Ų2844.3 Ų44.315%0.1524%0.241CC..Hα-helixtrans-58.6-43.5177.4-79.8-14.5000110.5Y86 K90 L179 K186 I187Y86-D183 VanDerWaalsContact CE1-OD2 3.26Å; Y86-D183 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D183 PolarHBondContact OH-OD2 3.21Å; K90-D183 IonicContact NZ-OD1 3.6Å; K90-D183 IonicContact NZ-OD2 3.63Å; L179-D183 PolarHBondContact O-N 3.14Å; D183-K186 PolarHBondContact O-N 3.19Å; D183-I187 VanDerWaalsContact O-CG1 3.27Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.01Å
184K89.2Confident87.3Confident107 Ų10744.1 Ų44.147%0.46526%0.258SS..Hα-helixtrans-64.1-46178.6-17161.7177.2179.30112.6F99 A180 F181 Y182 M188F99-K184 HydrophobicContact CD2-CB 4.11Å; F99-K184 HydrophobicContact CD2-CD 4.44Å; F99-K184 HydrophobicContact CD2-CG 4.23Å; F99-K184 HydrophobicContact CE2-CB 4.33Å; A180-K184 WeakPolarHBondContact O-CB 3.1Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.1Å; F181-K184 PolarHBondContact O-N 3.16Å; Y182-K184 VanDerWaalsContact C-N 3.27Å; Y182-K184 PolarHBondContact O-N 3.13Å; K184-M188 WeakPolarHBondContact O-CB 3.43Å; K184-M188 PolarHBondContact O-N 3.05Å
185F90Very high86.6Confident40 Ų4046.1 Ų46.118%0.17527%0.266CS..Hα-helixtrans-67.7-39178.1-71.1-45.6000111.9F181 Y182 M188 L189 A205 A209 V212F181-F185 HydrophobicContact CB-CD2 4.18Å; F181-F185 HydrophobicContact CB-CE2 3.97Å; F181-F185 AromaticContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CZ 4.02Å; F181-F185 HydrophobicContact CG-CE2 4.44Å; F181-F185 WeakPolarHBondContact O-CB 3.43Å; F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 VanDerWaalsContact O-CG 3.3Å; F181-F185 WeakPolarHBondContact O-CG 3.26Å; F181-F185 PolarHBondContact O-N 3.44Å; Y182-F185 PolarHBondContact O-N 3.25Å; F185-M188 HydrophobicContact CD1-CE 3.9Å; F185-M188 HydrophobicContact CE1-CE 4.37Å; F185-M188 PolarHBondContact O-N 3.31Å; F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 WeakPolarHBondContact O-CD1 3.42Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 3.18Å; F185-A205 HydrophobicContact CB-CB 4.23Å; F185-A209 HydrophobicContact CD2-CB 4.28Å; F185-V212 HydrophobicContact CE2-CG2 3.82Å; F185-V212 HydrophobicContact CZ-CG2 3.84Å
186K85.3Confident85.8Confident34 Ų3451 Ų5115%0.14829%0.29CS..Hα-helixtrans-58.6-51175-177.2177.9-179.1176.40110.3Y182 D183 M188 L189 I190 D197 A205 E276Y182-K186 HydrophobicContact CE1-CD 4.13Å; Y182-K186 VanDerWaalsContact O-CB 3.26Å; Y182-K186 WeakPolarHBondContact O-CB 3.42Å; Y182-K186 PolarHBondContact O-N 3.36Å; D183-K186 PolarHBondContact O-N 3.19Å; K186-M188 VanDerWaalsContact C-N 3.35Å; K186-M188 PolarHBondContact O-N 3.21Å; K186-L189 PolarHBondContact O-N 3.44Å; K186-I190 HydrophobicContact CG-CD1 3.81Å; K186-I190 VanDerWaalsContact O-CG1 3.3Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 2.77Å; K186-D197 WeakPolarHBondContact CE-OD1 3.38Å; K186-D197 IonicContact NZ-OD1 2.87Å; K186-D197 PolarHBondContact NZ-OD1 3.22Å; K186-D197 IonicContact NZ-OD2 3.29Å; K186-A205 HydrophobicContact CB-CB 4.43Å; K186-E276 IonicContact NZ-OE1 3.53Å; K186-E276 PolarHBondContact NZ-OE1 3.19Å; K186-E276 IonicContact NZ-OE2 3.27Å
187I84.9Confident84.9Confident75 Ų7552 Ų5239%0.38530%0.295SS..Hα-helixtrans-61.3-44.3177.8-67.4165.7000110.9D183 L189 I190 N191D183-I187 VanDerWaalsContact O-CG1 3.27Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.01Å; I187-L189 PolarHBondContact O-N 2.65Å; I187-I190 PolarHBondContact O-N 3.32Å; I187-N191 WeakPolarHBondContact CG2-ND2 3.2Å; I187-N191 VanDerWaalsContact O-CB 3.24Å; I187-N191 WeakPolarHBondContact O-CB 3.3Å; I187-N191 PolarHBondContact O-N 3.02Å
188M87.3Confident84.3Confident114 Ų11456.2 Ų56.256%0.56231%0.313SS*.Hα-helixtrans-62.8-41.5179.6-172.2179.979.600112.5K184 F185 K186 S192K184-M188 WeakPolarHBondContact O-CB 3.43Å; K184-M188 PolarHBondContact O-N 3.05Å; F185-M188 HydrophobicContact CD1-CE 3.9Å; F185-M188 HydrophobicContact CE1-CE 4.37Å; F185-M188 PolarHBondContact O-N 3.31Å; K186-M188 VanDerWaalsContact C-N 3.35Å; K186-M188 PolarHBondContact O-N 3.21Å; M188-S192 PolarHBondContact O-N 2.7Å; M188-S192 VanDerWaalsContact O-N 3.17Å
189L87.8Confident83.8Confident22 Ų2260 Ų6012%0.11534%0.338CS..Hα-helixtrans-66.3-47.9177.4-80.8158.7000111F185 K186 I187 N191 S192 F195 T201 I204 A205F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 WeakPolarHBondContact O-CD1 3.42Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 3.18Å; K186-L189 PolarHBondContact O-N 3.44Å; I187-L189 PolarHBondContact O-N 2.65Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.11Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-S192 PolarHBondContact O-OG 3.36Å; L189-F195 HydrophobicContact CB-CB 4.27Å; L189-F195 HydrophobicContact CB-CD2 4.47Å; L189-F195 HydrophobicContact CB-CG 4.43Å; L189-F195 HydrophobicContact CD2-CD1 4.41Å; L189-F195 HydrophobicContact CD2-CD2 3.62Å; L189-F195 HydrophobicContact CD2-CE1 4.48Å; L189-F195 HydrophobicContact CD2-CE2 3.7Å; L189-F195 HydrophobicContact CD2-CG 4Å; L189-F195 HydrophobicContact CD2-CZ 4.15Å; L189-T201 HydrophobicContact CB-CG2 3.95Å; L189-T201 HydrophobicContact CD1-CG2 4.32Å; L189-I204 HydrophobicContact CD1-CB 4.24Å; L189-I204 HydrophobicContact CD1-CG2 3.93Å; L189-I204 HydrophobicContact CD2-CG2 4.28Å; L189-A205 HydrophobicContact CD1-CB 3.89Å
190I83.5Confident83.5Confident63 Ų6365.1 Ų65.132%0.32336%0.364SS..Hα-helixtrans-62.5-43.1179.6-66.5170.6000110.8K186 I187 S192 G193 F195 T201K186-I190 HydrophobicContact CG-CD1 3.81Å; K186-I190 VanDerWaalsContact O-CG1 3.3Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 2.77Å; I187-I190 PolarHBondContact O-N 3.32Å; I190-S192 PolarHBondContact O-N 2.99Å; I190-G193 PolarHBondContact O-N 3.14Å; I190-F195 WeakPolarHBondContact CA-O 3.32Å; I190-T201 HydrophobicContact CG1-CG2 4.38Å
191N84.5Confident83.2Confident126 Ų12665.1 Ų65.167%0.67437%0.365SS*.Hα-helixtrans-70.5-16179.5-71-5.8000113.8I187 L189 G193I187-N191 WeakPolarHBondContact CG2-ND2 3.2Å; I187-N191 VanDerWaalsContact O-CB 3.24Å; I187-N191 WeakPolarHBondContact O-CB 3.3Å; I187-N191 PolarHBondContact O-N 3.02Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.11Å; N191-G193 PolarHBondContact O-N 3.04Å
192S84.6Confident82.9Confident77 Ų7763.5 Ų63.554%0.53836%0.357SS..THydrogen-bonded Turntrans-72.9-5.4175.771.80000113.2M188 L189 I190 G194M188-S192 PolarHBondContact O-N 2.7Å; M188-S192 VanDerWaalsContact O-N 3.17Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-S192 PolarHBondContact O-OG 3.36Å; I190-S192 PolarHBondContact O-N 2.99Å; S192-G194 PolarHBondContact O-N 2.97Å; S192-G194 VanDerWaalsContact O-N 3.1Å
193G73.5Confident82.9Confident72 Ų7267.2 Ų67.274%0.74238%0.377SS*.SBendtrans76-12.6176.700000114.8I190 N191I190-G193 PolarHBondContact O-N 3.14Å; N191-G193 PolarHBondContact O-N 3.04Å
194G74.9Confident83Confident63 Ų6368.5 Ų68.565%0.64938%0.384SS*.SBendtrans-90.2-14.217900000115S192S192-G194 PolarHBondContact O-N 2.97Å; S192-G194 VanDerWaalsContact O-N 3.1Å
195F75.2Confident83.1Confident66 Ų6663.4 Ų63.429%0.28936%0.361SS..  trans-125.9123.5-172.6-67.3-88.5000111.4L189 I190 L200 T201 I204L189-F195 HydrophobicContact CB-CB 4.27Å; L189-F195 HydrophobicContact CB-CD2 4.47Å; L189-F195 HydrophobicContact CB-CG 4.43Å; L189-F195 HydrophobicContact CD2-CD1 4.41Å; L189-F195 HydrophobicContact CD2-CD2 3.62Å; L189-F195 HydrophobicContact CD2-CE1 4.48Å; L189-F195 HydrophobicContact CD2-CE2 3.7Å; L189-F195 HydrophobicContact CD2-CG 4Å; L189-F195 HydrophobicContact CD2-CZ 4.15Å; I190-F195 WeakPolarHBondContact CA-O 3.32Å; F195-L200 HydrophobicContact CD1-CD2 4.43Å; F195-L200 HydrophobicContact CE1-CD2 3.97Å; F195-T201 HydrophobicContact CB-CG2 4.03Å; F195-I204 HydrophobicContact CD1-CD1 4.39Å; F195-I204 HydrophobicContact CE1-CD1 3.53Å; F195-I204 HydrophobicContact CZ-CD1 4.02Å
196E76.9Confident83Confident104 Ų10461.5 Ų61.549%0.48635%0.353SS..  trans-91.3171.4169.8-69.8173.4-160.400110.7K198 T201E196-K198 HydrophobicContact CB-CD 4.12Å; E196-K198 HydrophobicContact CB-CG 4.1Å; E196-K198 VanDerWaalsContact CD-NZ 3.29Å; E196-K198 PolarHBondContact O-N 3.42Å; E196-K198 IonicContact OE1-NZ 2.75Å; E196-K198 WeakPolarHBondContact OE2-CE 3.18Å; E196-K198 IonicContact OE2-NZ 2.75Å; E196-K198 PolarHBondContact OE2-NZ 3.03Å; E196-T201 WeakPolarHBondContact O-CB 3.38Å; E196-T201 PolarHBondContact O-OG1 3.23Å
197D75.3Confident83.2Confident41 Ų4161.5 Ų61.522%0.21936%0.358CS..SBendtrans-70.876.2172.8-14215.3000110.1R7 K186 H202R7-D197 PolarHBondContact NH1-O 2.88Å; K186-D197 WeakPolarHBondContact CE-OD1 3.38Å; K186-D197 IonicContact NZ-OD1 2.87Å; K186-D197 PolarHBondContact NZ-OD1 3.22Å; K186-D197 IonicContact NZ-OD2 3.29Å; D197-H202 IonicContact OD1-CE1 2.72Å; D197-H202 PolarHBondContact OD1-CE1 3.09Å; D197-H202 IonicContact OD1-NE2 3.39Å; D197-H202 PolarHBondContact OD1-NE2 2.9Å
198K79.9Confident83.6Confident90 Ų9060.4 Ų60.439%0.39136%0.356SS..SBendtrans-124.2156-175.6-77.2177.1179.3151.50109.5E196 L200 T201 H202E196-K198 HydrophobicContact CB-CD 4.12Å; E196-K198 HydrophobicContact CB-CG 4.1Å; E196-K198 VanDerWaalsContact CD-NZ 3.29Å; E196-K198 PolarHBondContact O-N 3.42Å; E196-K198 IonicContact OE1-NZ 2.75Å; E196-K198 WeakPolarHBondContact OE2-CE 3.18Å; E196-K198 IonicContact OE2-NZ 2.75Å; E196-K198 PolarHBondContact OE2-NZ 3.03Å; K198-L200 PolarHBondContact O-N 3.07Å; K198-T201 WeakPolarHBondContact O-CB 3.25Å; K198-T201 PolarHBondContact O-N 2.8Å; K198-H202 PolarHBondContact O-CD2 3.45Å; K198-H202 PolarHBondContact O-N 3.07Å
199P78.8Confident83.8Confident81 Ų8155 Ų5553%0.52633%0.33SS..Hα-helixtrans-50.3-36.1177.9-28.935.4000114.4H202 L203P199-H202 PolarHBondContact O-N 2.89Å; P199-L203 WeakPolarHBondContact O-CB 3.24Å; P199-L203 PolarHBondContact O-N 3.09Å
200L83.7Confident83.9Confident110 Ų11053.9 Ų53.958%0.57632%0.324SS*.Hα-helixtrans-61-44.5177.3-168.387.2000112F195 K198 H202 L203 I204F195-L200 HydrophobicContact CD1-CD2 4.43Å; F195-L200 HydrophobicContact CE1-CD2 3.97Å; K198-L200 PolarHBondContact O-N 3.07Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.41Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-I204 HydrophobicContact CD2-CD1 4.29Å; L200-I204 HydrophobicContact CG-CD1 4.12Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.46Å
201T85Confident84.3Confident2 Ų252.1 Ų52.11%0.01232%0.321CS..Hα-helixtrans-62.9-43.9178.6-51.20000110.7L189 I190 F195 E196 K198 L203 I204 A205L189-T201 HydrophobicContact CB-CG2 3.95Å; L189-T201 HydrophobicContact CD1-CG2 4.32Å; I190-T201 HydrophobicContact CG1-CG2 4.38Å; F195-T201 HydrophobicContact CB-CG2 4.03Å; E196-T201 WeakPolarHBondContact O-CB 3.38Å; E196-T201 PolarHBondContact O-OG1 3.23Å; K198-T201 WeakPolarHBondContact O-CB 3.25Å; K198-T201 PolarHBondContact O-N 2.8Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 3.02Å; T201-I204 PolarHBondContact O-N 3.37Å; T201-A205 VanDerWaalsContact O-CB 3.22Å; T201-A205 WeakPolarHBondContact O-CB 3.2Å; T201-A205 PolarHBondContact O-N 3.45Å
202H85.1Confident84.7Confident13 Ų1347.9 Ų47.96%0.0630%0.3CS..Hα-helixtrans-63.5-38.9174.9-58.7-62.2000112Y182 D197 K198 P199 L200 S206 E276Y182-H202 PolarHBondContact OH-ND1 2.75Å; D197-H202 IonicContact OD1-CE1 2.72Å; D197-H202 PolarHBondContact OD1-CE1 3.09Å; D197-H202 IonicContact OD1-NE2 3.39Å; D197-H202 PolarHBondContact OD1-NE2 2.9Å; K198-H202 PolarHBondContact O-CD2 3.45Å; K198-H202 PolarHBondContact O-N 3.07Å; P199-H202 PolarHBondContact O-N 2.89Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.41Å; H202-S206 WeakPolarHBondContact O-CB 3.31Å; H202-S206 PolarHBondContact O-N 2.74Å; H202-S206 PolarHBondContact O-OG 3.33Å; H202-E276 VanDerWaalsContact CE1-CG 3.49Å; H202-E276 WeakPolarHBondContact CE1-CG 3.49Å; H202-E276 IonicContact CE1-OE1 2.82Å; H202-E276 PolarHBondContact CE1-OE1 3.06Å; H202-E276 IonicContact CE1-OE2 3.75Å; H202-E276 IonicContact ND1-OE1 3.34Å; H202-E276 PolarHBondContact ND1-OE1 3.23Å
203L88.2Confident85.1Confident83 Ų8344.2 Ų44.244%0.43527%0.274SS..Hα-helixtrans-63.5-46.2177.5-173.4151.3000111.4P199 L200 T201 S206 S207 V269P199-L203 WeakPolarHBondContact O-CB 3.24Å; P199-L203 PolarHBondContact O-N 3.09Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.3Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 3.02Å; L203-S206 PolarHBondContact O-OG 2.67Å; L203-S207 VanDerWaalsContact O-CB 3.22Å; L203-S207 WeakPolarHBondContact O-CB 3.22Å; L203-S207 PolarHBondContact O-N 3.43Å; L203-S207 PolarHBondContact O-OG 3.12Å; L203-V269 HydrophobicContact CG-CG1 4.29Å
204I90Very high85.9Confident55 Ų5540.9 Ų40.928%0.28224%0.239SC..Hα-helixtrans-66.9-50.4178.6-63.4167.1000109.9L189 F195 L200 T201 S206 S207 S208L189-I204 HydrophobicContact CD1-CB 4.24Å; L189-I204 HydrophobicContact CD1-CG2 3.93Å; L189-I204 HydrophobicContact CD2-CG2 4.28Å; F195-I204 HydrophobicContact CD1-CD1 4.39Å; F195-I204 HydrophobicContact CE1-CD1 3.53Å; F195-I204 HydrophobicContact CZ-CD1 4.02Å; L200-I204 HydrophobicContact CD2-CD1 4.29Å; L200-I204 HydrophobicContact CG-CD1 4.12Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.46Å; T201-I204 PolarHBondContact O-N 3.37Å; I204-S206 PolarHBondContact O-N 2.6Å; I204-S207 PolarHBondContact O-N 2.95Å; I204-S208 PolarHBondContact O-N 3.37Å; I204-S208 PolarHBondContact O-OG 3.14Å
205A89.8Confident86.7Confident0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-58.7-45.8179.700000112Y182 F185 K186 L189 T201 A209Y182-A205 HydrophobicContact CD2-CB 3.96Å; Y182-A205 HydrophobicContact CE2-CB 3.93Å; F185-A205 HydrophobicContact CB-CB 4.23Å; K186-A205 HydrophobicContact CB-CB 4.43Å; L189-A205 HydrophobicContact CD1-CB 3.89Å; T201-A205 VanDerWaalsContact O-CB 3.22Å; T201-A205 WeakPolarHBondContact O-CB 3.2Å; T201-A205 PolarHBondContact O-N 3.45Å; A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.85Å
206S88.2Confident87.4Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-69.2-34.3178.8610000112.9H202 L203 I204 A210 V269H202-S206 WeakPolarHBondContact O-CB 3.31Å; H202-S206 PolarHBondContact O-N 2.74Å; H202-S206 PolarHBondContact O-OG 3.33Å; L203-S206 PolarHBondContact O-OG 2.67Å; I204-S206 PolarHBondContact O-N 2.6Å; S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.4Å; S206-A210 PolarHBondContact O-N 2.9Å; S206-V269 WeakPolarHBondContact OG-CG2 3.42Å
207S90.7Very high88Confident35 Ų3537.5 Ų37.525%0.24521%0.207CC..Hα-helixtrans-68.5-44.5174.9-61.60000111.7L203 I204 A210 G211L203-S207 VanDerWaalsContact O-CB 3.22Å; L203-S207 WeakPolarHBondContact O-CB 3.22Å; L203-S207 PolarHBondContact O-N 3.43Å; L203-S207 PolarHBondContact O-OG 3.12Å; I204-S207 PolarHBondContact O-N 2.95Å; S207-A210 PolarHBondContact O-N 3.35Å; S207-G211 PolarHBondContact O-N 2.82Å
208S92.2Very high88.6Confident51 Ų5135.7 Ų35.736%0.35720%0.198SC..Hα-helixtrans-62.7-44.3174.6-62.90000111.4I204 A210 G211 V212I204-S208 PolarHBondContact O-N 3.37Å; I204-S208 PolarHBondContact O-OG 3.14Å; S208-A210 PolarHBondContact O-N 3.02Å; S208-G211 PolarHBondContact O-N 2.94Å; S208-G211 VanDerWaalsContact O-N 3.14Å; S208-V212 PolarHBondContact O-N 2.88Å
209A91.5Very high89Confident0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-61.2-43174.500000111.7G177 F185 A205 G211 V212 A213G177-A209 VanDerWaalsContact O-O 3.07Å; F185-A209 HydrophobicContact CD2-CB 4.28Å; A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.85Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.87Å; A209-V212 PolarHBondContact O-N 3.26Å; A209-A213 VanDerWaalsContact O-CB 3.26Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.34Å
210A90.1Very high89.3Confident0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-61.3-3717400000112.2S206 S207 S208 T214 F261 L264 A265 T268S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.4Å; S206-A210 PolarHBondContact O-N 2.9Å; S207-A210 PolarHBondContact O-N 3.35Å; S208-A210 PolarHBondContact O-N 3.02Å; A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 PolarHBondContact O-N 2.9Å; A210-T214 PolarHBondContact O-OG1 3.25Å; A210-F261 HydrophobicContact CB-CE2 4.31Å; A210-L264 HydrophobicContact CB-CG 4.41Å; A210-A265 HydrophobicContact CB-CB 4.11Å; A210-T268 HydrophobicContact CB-CG2 4.09Å
211G92.5Very high89.2Confident26 Ų2626.8 Ų26.827%0.26815%0.15SC..Hα-helixtrans-60.8-52.1174.500000111.9S207 S208 A209 T214 F215S207-G211 PolarHBondContact O-N 2.82Å; S208-G211 PolarHBondContact O-N 2.94Å; S208-G211 VanDerWaalsContact O-N 3.14Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.87Å; G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.29Å; G211-F215 PolarHBondContact O-N 2.99Å
212V93.1Very high89.1Confident36 Ų3627.3 Ų27.322%0.21815%0.153CC..Hα-helixtrans-62.8-45.7177.7176.80000111.4F181 F185 S208 A209 T214 F215 I216F181-V212 HydrophobicContact CD1-CB 4.35Å; F181-V212 HydrophobicContact CD1-CG1 3.86Å; F181-V212 HydrophobicContact CD1-CG2 4.18Å; F181-V212 HydrophobicContact CD2-CG1 3.72Å; F181-V212 HydrophobicContact CE1-CG1 3.83Å; F181-V212 HydrophobicContact CE1-CG2 4.46Å; F181-V212 HydrophobicContact CE2-CG1 3.67Å; F181-V212 HydrophobicContact CG-CB 4.31Å; F181-V212 HydrophobicContact CG-CG1 3.79Å; F181-V212 HydrophobicContact CZ-CG1 3.73Å; F185-V212 HydrophobicContact CE2-CG2 3.82Å; F185-V212 HydrophobicContact CZ-CG2 3.84Å; S208-V212 PolarHBondContact O-N 2.88Å; A209-V212 PolarHBondContact O-N 3.26Å; V212-T214 VanDerWaalsContact C-N 3.28Å; V212-T214 PolarHBondContact O-N 3.32Å; V212-F215 PolarHBondContact O-N 2.99Å; V212-F215 VanDerWaalsContact O-N 3.12Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 2.94Å
213A92.3Very high89.1Confident0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-58.1-41.9176.200000112Q178 A209 T217 L264Q178-A213 HydrophobicContact CG-CB 3.88Å; A209-A213 VanDerWaalsContact O-CB 3.26Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.34Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 VanDerWaalsContact O-CG2 3.3Å; A213-T217 WeakPolarHBondContact O-CG2 3.42Å; A213-T217 PolarHBondContact O-N 2.83Å; A213-T217 PolarHBondContact O-OG1 2.88Å; A213-L264 HydrophobicContact CB-CD2 3.8Å
214T89.4Confident88.7Confident2 Ų226.6 Ų26.61%0.01215%0.147CC..Hα-helixtrans-62.6-47.1176-54.10000110A210 G211 V212 I216 T217 Q218 L257 F261 L264A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 PolarHBondContact O-N 2.9Å; A210-T214 PolarHBondContact O-OG1 3.25Å; G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.29Å; V212-T214 VanDerWaalsContact C-N 3.28Å; V212-T214 PolarHBondContact O-N 3.32Å; T214-I216 PolarHBondContact O-N 2.89Å; T214-T217 PolarHBondContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.45Å; T214-Q218 VanDerWaalsContact O-CB 3.27Å; T214-Q218 WeakPolarHBondContact O-CB 3.4Å; T214-Q218 PolarHBondContact O-N 2.65Å; T214-L257 HydrophobicContact CG2-CD1 3.79Å; T214-F261 HydrophobicContact CG2-CB 4.14Å; T214-L264 WeakPolarHBondContact OG1-CD2 3.16Å
215F91.7Very high88Confident116 Ų11626.7 Ų26.751%0.50915%0.15SC..Hα-helixtrans-60.6-45.4-178.7-165.9-94.8000112.7G211 V212 F254 L257G211-F215 PolarHBondContact O-N 2.99Å; V212-F215 PolarHBondContact O-N 2.99Å; V212-F215 VanDerWaalsContact O-N 3.12Å; F215-F254 HydrophobicContact CD1-CE1 4.2Å; F215-F254 HydrophobicContact CD2-CD1 4.14Å; F215-F254 AromaticContact CD2-CE1 3.75Å; F215-F254 HydrophobicContact CD2-CE1 3.75Å; F215-F254 AromaticContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CZ 4.03Å; F215-F254 AromaticContact CE2-CD1 3.86Å; F215-F254 HydrophobicContact CE2-CD1 3.86Å; F215-F254 AromaticContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CE1 3.4Å; F215-F254 VanDerWaalsContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CZ 4.02Å; F215-F254 HydrophobicContact CG-CE1 4.14Å; F215-F254 HydrophobicContact CZ-CD1 4.34Å; F215-F254 AromaticContact CZ-CE1 3.48Å; F215-F254 HydrophobicContact CZ-CE1 3.48Å; F215-F254 VanDerWaalsContact CZ-CE1 3.48Å; F215-F254 AromaticContact CZ-CZ 3.64Å; F215-F254 HydrophobicContact CZ-CZ 3.64Å; F215-L257 HydrophobicContact CD2-CD2 4.42Å
216I91.8Very high87.5Confident44 Ų4430.1 Ų30.123%0.22616%0.163CC..Hα-helixtrans-67-38.4178.9-62.7172000111.3F173 F181 V212 T214F173-I216 HydrophobicContact CB-CG2 3.85Å; F173-I216 HydrophobicContact CD1-CG2 3.55Å; F173-I216 HydrophobicContact CG-CG2 4.04Å; F181-I216 HydrophobicContact CE2-CD1 4.05Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 2.94Å; T214-I216 PolarHBondContact O-N 2.89Å
217T89.4Confident87Confident2 Ų233 Ų331%0.01218%0.178CC..Hα-helixtrans-87.4-16.6-174.857.70000114F173 M174 A213 T214 F220 D221F173-T217 HydrophobicContact CB-CG2 3.93Å; M174-T217 HydrophobicContact CB-CG2 3.85Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 VanDerWaalsContact O-CG2 3.3Å; A213-T217 WeakPolarHBondContact O-CG2 3.42Å; A213-T217 PolarHBondContact O-N 2.83Å; A213-T217 PolarHBondContact O-OG1 2.88Å; T214-T217 PolarHBondContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.45Å; T217-F220 WeakPolarHBondContact O-CB 3.46Å; T217-F220 PolarHBondContact O-N 3Å; T217-F220 VanDerWaalsContact O-N 3.14Å; T217-D221 PolarHBondContact O-N 2.91Å; T217-D221 VanDerWaalsContact O-N 3.1Å
218Q88.2Confident86.1Confident4 Ų437.9 Ų37.92%0.01920%0.198CC..Hα-helixtrans-56.6-43.5-175.7-170.165.116.500114.1T214 F220 D221 V222 F253 F254 K255 G256 L257 S260T214-Q218 VanDerWaalsContact O-CB 3.27Å; T214-Q218 WeakPolarHBondContact O-CB 3.4Å; T214-Q218 PolarHBondContact O-N 2.65Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 3.1Å; Q218-D221 PolarHBondContact O-N 2.92Å; Q218-D221 VanDerWaalsContact O-N 3.11Å; Q218-V222 HydrophobicContact CG-CG2 4.46Å; Q218-V222 PolarHBondContact O-N 2.87Å; Q218-F253 WeakPolarHBondContact CG-O 3.5Å; Q218-F254 HydrophobicContact CB-CD1 4.36Å; Q218-F254 HydrophobicContact CG-CD1 4.35Å; Q218-K255 PolarHBondContact NE2-O 3.4Å; Q218-G256 VanDerWaalsContact NE2-C 3.31Å; Q218-L257 HydrophobicContact CB-CD1 3.92Å; Q218-L257 HydrophobicContact CG-CD1 3.88Å; Q218-S260 PolarHBondContact OE1-OG 3.03Å
219P87.7Confident85.1Confident29 Ų2941.4 Ų41.419%0.18821%0.213CC..Hα-helixtrans-58.3-42.1177.4-25.936000112.5D221 V222 M223 F253P219-D221 VanDerWaalsContact C-N 3.33Å; P219-D221 PolarHBondContact O-N 3.47Å; P219-V222 PolarHBondContact O-N 3.48Å; P219-M223 HydrophobicContact CB-CE 4.3Å; P219-M223 WeakPolarHBondContact O-CB 3.34Å; P219-M223 WeakPolarHBondContact O-CE 3.46Å; P219-M223 VanDerWaalsContact O-CG 3.3Å; P219-M223 WeakPolarHBondContact O-CG 3.48Å; P219-M223 PolarHBondContact O-N 3.43Å; P219-F253 HydrophobicContact CB-CB 4.25Å; P219-F253 HydrophobicContact CB-CD1 3.87Å; P219-F253 HydrophobicContact CB-CG 4.42Å; P219-F253 HydrophobicContact CG-CB 4.36Å
220F84.4Confident84.4Confident48 Ų4842.6 Ų42.621%0.21122%0.223CC..Hα-helixtrans-64.5-38.8176.9-66-84000111.9M166 F173 T217 Q218 M223 K224M166-F220 HydrophobicContact CE-CD1 3.97Å; F173-F220 HydrophobicContact CD2-CD2 4.19Å; F173-F220 HydrophobicContact CD2-CE1 4.42Å; F173-F220 AromaticContact CD2-CE2 3.49Å; F173-F220 HydrophobicContact CD2-CE2 3.49Å; F173-F220 VanDerWaalsContact CD2-CE2 3.49Å; F173-F220 AromaticContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CE2-CE1 4.16Å; F173-F220 AromaticContact CE2-CE2 3.61Å; F173-F220 HydrophobicContact CE2-CE2 3.61Å; F173-F220 AromaticContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CG-CE2 4.03Å; F173-F220 HydrophobicContact CZ-CE2 4.19Å; F173-F220 AromaticContact CZ-CZ 3.98Å; F173-F220 HydrophobicContact CZ-CZ 3.98Å; T217-F220 WeakPolarHBondContact O-CB 3.46Å; T217-F220 PolarHBondContact O-N 3Å; T217-F220 VanDerWaalsContact O-N 3.14Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 3.1Å; F220-M223 HydrophobicContact CD1-CE 4.11Å; F220-M223 HydrophobicContact CG-CE 4.39Å; F220-K224 VanDerWaalsContact O-CB 3.24Å; F220-K224 WeakPolarHBondContact O-CB 3.28Å; F220-K224 PolarHBondContact O-N 3.18Å
221D82.3Confident83.8Confident17 Ų1746.6 Ų46.69%0.09125%0.249CC..Hα-helixtrans-67.1-41.4179.1-74.37.3000111.6R170 T217 Q218 P219 T225 R263R170-D221 IonicContact CZ-OD1 3.51Å; R170-D221 IonicContact CZ-OD2 2.95Å; R170-D221 IonicContact NE-OD1 3.69Å; R170-D221 IonicContact NH1-OD1 2.85Å; R170-D221 PolarHBondContact NH1-OD1 2.89Å; R170-D221 IonicContact NH1-OD2 3.14Å; R170-D221 PolarHBondContact NH1-OD2 3.01Å; R170-D221 IonicContact NH2-OD1 3.27Å; R170-D221 IonicContact NH2-OD2 3.22Å; R170-D221 PolarHBondContact NH2-OD2 3.14Å; T217-D221 PolarHBondContact O-N 2.91Å; T217-D221 VanDerWaalsContact O-N 3.1Å; Q218-D221 PolarHBondContact O-N 2.92Å; Q218-D221 VanDerWaalsContact O-N 3.11Å; P219-D221 VanDerWaalsContact C-N 3.33Å; P219-D221 PolarHBondContact O-N 3.47Å; D221-T225 WeakPolarHBondContact O-CB 3.46Å; D221-T225 VanDerWaalsContact O-CG2 3.32Å; D221-T225 WeakPolarHBondContact O-CG2 3.34Å; D221-T225 PolarHBondContact O-N 3.26Å; D221-T225 PolarHBondContact O-OG1 2.99Å; D221-R263 IonicContact OD2-NH2 3.34Å
222V83.4Confident82.9Confident13 Ų1352 Ų528%0.07928%0.28CS..Hα-helixtrans-67.2-46.8176174.40000111.1Q218 P219 K224 T225 R226 L245 F253 K255Q218-V222 HydrophobicContact CG-CG2 4.46Å; Q218-V222 PolarHBondContact O-N 2.87Å; P219-V222 PolarHBondContact O-N 3.48Å; V222-K224 PolarHBondContact O-N 3.32Å; V222-T225 WeakPolarHBondContact CA-OG1 3.5Å; V222-T225 PolarHBondContact O-N 3.37Å; V222-T225 PolarHBondContact O-OG1 3.49Å; V222-R226 WeakPolarHBondContact O-CB 3.41Å; V222-R226 PolarHBondContact O-N 3.43Å; V222-L245 HydrophobicContact CG1-CD1 4.02Å; V222-L245 HydrophobicContact CG1-CD2 4.01Å; V222-F253 VanDerWaalsContact CG2-O 3.27Å; V222-F253 WeakPolarHBondContact CG2-O 3.32Å; V222-K255 WeakPolarHBondContact CG2-O 3.36Å
223M84Confident82.2Confident21 Ų2154.2 Ų54.210%0.10331%0.309CS..Hα-helixtrans-59.8-46.9177.6-73.7-175.9-70.600111.4P219 F220 T225 R226 L227 L238 A242 L245 F253P219-M223 HydrophobicContact CB-CE 4.3Å; P219-M223 WeakPolarHBondContact O-CB 3.34Å; P219-M223 WeakPolarHBondContact O-CE 3.46Å; P219-M223 VanDerWaalsContact O-CG 3.3Å; P219-M223 WeakPolarHBondContact O-CG 3.48Å; P219-M223 PolarHBondContact O-N 3.43Å; F220-M223 HydrophobicContact CD1-CE 4.11Å; F220-M223 HydrophobicContact CG-CE 4.39Å; M223-T225 PolarHBondContact O-N 3.16Å; M223-R226 PolarHBondContact O-N 3Å; M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.45Å; M223-L238 HydrophobicContact CB-CD2 3.95Å; M223-A242 HydrophobicContact SD-CB 3.63Å; M223-L245 HydrophobicContact CG-CD1 3.6Å; M223-F253 HydrophobicContact CG-CD1 4.46Å; M223-F253 HydrophobicContact CG-CE1 4.06Å; M223-F253 HydrophobicContact SD-CE1 4.03Å
224K79.3Confident81.6Confident60 Ų6060.1 Ų60.126%0.26134%0.335SS..Hα-helixtrans-58.3-49.6177.4-177.4177.8-179.2173.70111.4M166 F220 V222 L227 M228M166-K224 HydrophobicContact CG-CB 4.49Å; M166-K224 HydrophobicContact CG-CD 3.91Å; M166-K224 HydrophobicContact CG-CG 4.21Å; M166-K224 HydrophobicContact SD-CB 3.84Å; M166-K224 HydrophobicContact SD-CD 4.38Å; M166-K224 HydrophobicContact SD-CG 4.11Å; F220-K224 VanDerWaalsContact O-CB 3.24Å; F220-K224 WeakPolarHBondContact O-CB 3.28Å; F220-K224 PolarHBondContact O-N 3.18Å; V222-K224 PolarHBondContact O-N 3.32Å; K224-L227 PolarHBondContact O-N 2.94Å; K224-M228 HydrophobicContact CD-SD 4.42Å; K224-M228 HydrophobicContact CG-CG 4.47Å; K224-M228 HydrophobicContact CG-SD 3.85Å; K224-M228 WeakPolarHBondContact O-CB 3.43Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.47Å; K224-M228 PolarHBondContact O-N 3.2Å
225T76.7Confident81.2Confident57 Ų5761.3 Ų61.335%0.3534%0.339SS..Hα-helixtrans-68.3-34.3-17850.50000112.8D221 V222 M223 N229D221-T225 WeakPolarHBondContact O-CB 3.46Å; D221-T225 VanDerWaalsContact O-CG2 3.32Å; D221-T225 WeakPolarHBondContact O-CG2 3.34Å; D221-T225 PolarHBondContact O-N 3.26Å; D221-T225 PolarHBondContact O-OG1 2.99Å; V222-T225 WeakPolarHBondContact CA-OG1 3.5Å; V222-T225 PolarHBondContact O-N 3.37Å; V222-T225 PolarHBondContact O-OG1 3.49Å; M223-T225 PolarHBondContact O-N 3.16Å; T225-N229 WeakPolarHBondContact O-CB 3.41Å; T225-N229 PolarHBondContact O-N 2.92Å; T225-N229 PolarHBondContact O-ND2 3.11Å
226R78.7Confident80.6Confident71 Ų7161 Ų6127%0.26835%0.352SS..Hα-helixtrans-66.4-47.8171.9-91.2-153.3176.4-168.56.5111.8V222 M223 M228 N229 A230 Y235 D244V222-R226 WeakPolarHBondContact O-CB 3.41Å; V222-R226 PolarHBondContact O-N 3.43Å; M223-R226 PolarHBondContact O-N 3Å; R226-M228 VanDerWaalsContact C-N 3.29Å; R226-M228 PolarHBondContact O-N 2.91Å; R226-N229 PolarHBondContact O-N 3.46Å; R226-A230 VanDerWaalsContact O-CB 3.3Å; R226-A230 WeakPolarHBondContact O-CB 3.4Å; R226-A230 PolarHBondContact O-N 3.1Å; R226-Y235 HydrophobicContact CB-CE2 4.36Å; R226-Y235 PolarHBondContact NH1-OH 3.14Å; R226-D244 IonicContact CZ-OD2 3.95Å; R226-D244 IonicContact NH1-OD2 2.65Å; R226-D244 PolarHBondContact NH1-OD2 3.19Å
227L78.3Confident80Confident61 Ų6162 Ų6232%0.31936%0.357SS..Hα-helixtrans-58.1-43.9178.8-17468.3000111.2M223 K224 N229 Y235 L238M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.45Å; K224-L227 PolarHBondContact O-N 2.94Å; L227-N229 PolarHBondContact O-N 3.48Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CG 4.44Å; L227-L238 HydrophobicContact CD2-CD2 4.17Å; L227-L238 HydrophobicContact CD2-CG 4.15Å
228M71.5Confident79.6Confident137 Ų13764.5 Ų64.568%0.67537%0.371SS*.Hα-helixtrans-70.3-27-179.9-70.217975.300114.3K224 R226K224-M228 HydrophobicContact CD-SD 4.42Å; K224-M228 HydrophobicContact CG-CG 4.47Å; K224-M228 HydrophobicContact CG-SD 3.85Å; K224-M228 WeakPolarHBondContact O-CB 3.43Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.47Å; K224-M228 PolarHBondContact O-N 3.2Å; R226-M228 VanDerWaalsContact C-N 3.29Å; R226-M228 PolarHBondContact O-N 2.91Å
229N72Confident79.4Confident126 Ų12670 Ų7067%0.67440%0.399SS*.Hα-helixtrans-101.5-2.9-178.8-69.8-48.9000113.3T225 R226 L227T225-N229 WeakPolarHBondContact O-CB 3.41Å; T225-N229 PolarHBondContact O-N 2.92Å; T225-N229 PolarHBondContact O-ND2 3.11Å; R226-N229 PolarHBondContact O-N 3.46Å; L227-N229 PolarHBondContact O-N 3.48Å
230A75Confident79.4Confident25 Ų2570.2 Ų70.221%0.20740%0.401CS..SBendtrans-72.7147.2-179.300000110.9R226 K234 Y235R226-A230 VanDerWaalsContact O-CB 3.3Å; R226-A230 WeakPolarHBondContact O-CB 3.4Å; R226-A230 PolarHBondContact O-N 3.1Å; A230-K234 HydrophobicContact CB-CB 4.15Å; A230-K234 HydrophobicContact CB-CD 4.39Å; A230-K234 HydrophobicContact CB-CG 4.49Å; A230-Y235 HydrophobicContact CB-CD2 3.4Å; A230-Y235 HydrophobicContact CB-CE2 3.55Å
231P77.4Confident79.3Confident84 Ų8467.9 Ų67.955%0.54539%0.391SS..PPolyproline II helixtrans-54.2146.8169.1-21.731.7000110.9G233 K234P231-G233 PolarHBondContact O-N 2.91Å; P231-K234 WeakPolarHBondContact O-CB 3.4Å; P231-K234 PolarHBondContact O-N 3.33Å
232P75.7Confident79.6Confident140 Ų14068.4 Ų68.491%0.90940%0.397SS*.THydrogen-bonded Turntrans-50.6126.8175.5-23.131.7000110.7
233G76.9Confident79.8Confident81 Ų8171.9 Ų71.984%0.83542%0.418SS*.THydrogen-bonded Turntrans87.2-5178.600000116.4P231P231-G233 PolarHBondContact O-N 2.91Å
234K81Confident79.9Confident124 Ų12473.4 Ų73.454%0.53943%0.427SS..SBendtrans-68.9-38.4178.2177168.8-176.2165.10113.6A230 P231A230-K234 HydrophobicContact CB-CB 4.15Å; A230-K234 HydrophobicContact CB-CD 4.39Å; A230-K234 HydrophobicContact CB-CG 4.49Å; P231-K234 WeakPolarHBondContact O-CB 3.4Å; P231-K234 PolarHBondContact O-N 3.33Å
235Y79.7Confident80.2Confident27 Ų2770.6 Ų70.611%0.10642%0.415CS..  trans-123.8128.6175-57.6-62.4000108.3R226 L227 A230 D237 C241 D244R226-Y235 HydrophobicContact CB-CE2 4.36Å; R226-Y235 PolarHBondContact NH1-OH 3.14Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CG 4.44Å; A230-Y235 HydrophobicContact CB-CD2 3.4Å; A230-Y235 HydrophobicContact CB-CE2 3.55Å; Y235-D237 VanDerWaalsContact C-N 3.33Å; Y235-C241 HydrophobicContact CD1-CB 4.01Å; Y235-C241 HydrophobicContact CD2-CB 4.39Å; Y235-C241 HydrophobicContact CE1-CB 4.32Å; Y235-C241 HydrophobicContact CG-CB 4.06Å; Y235-D244 HydrophobicContact CE1-CB 3.81Å; Y235-D244 PolarHBondContact OH-OD2 3.32Å
236S78.8Confident80.7Confident111 Ų11170.7 Ų70.778%0.77642%0.421SS*.SBendtrans-74-29.9174.441.90000111.8S240S236-S240 PolarHBondContact N-OG 2.79Å; S236-S240 PolarHBondContact OG-OG 3.42Å
237D80.3Confident81.2Confident63 Ų6373 Ų7334%0.33744%0.443SS..SBendtrans-167.2176.2-165.864.3-27.9000111.6Y235 I239 S240 C241Y235-D237 VanDerWaalsContact C-N 3.33Å; D237-I239 VanDerWaalsContact C-N 3.27Å; D237-I239 PolarHBondContact O-N 3.05Å; D237-I239 WeakPolarHBondContact OD2-CB 3.24Å; D237-S240 PolarHBondContact N-OG 2.94Å; D237-S240 PolarHBondContact O-OG 3.31Å; D237-S240 WeakPolarHBondContact OD1-CB 3.39Å; D237-S240 PolarHBondContact OD1-N 2.88Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; D237-C241 PolarHBondContact O-N 2.76Å
238L79.9Confident81.5Confident56 Ų5673.7 Ų73.729%0.29345%0.45SS..Hα-helixtrans-65.1-31.1176.9-81.4159.7000112.6M166 M223 L227 C241 A242M166-L238 HydrophobicContact CE-CD1 3.63Å; M166-L238 HydrophobicContact CE-CD2 3.99Å; M166-L238 HydrophobicContact CE-CG 4.49Å; M166-L238 HydrophobicContact SD-CD1 3.69Å; M166-L238 HydrophobicContact SD-CD2 3.69Å; M166-L238 HydrophobicContact SD-CG 4.3Å; M223-L238 HydrophobicContact CB-CD2 3.95Å; L227-L238 HydrophobicContact CD2-CD2 4.17Å; L227-L238 HydrophobicContact CD2-CG 4.15Å; L238-C241 PolarHBondContact O-N 2.63Å; L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.42Å
239I85.3Confident82.1Confident120 Ų12068.2 Ų68.262%0.61543%0.428SS*.Hα-helixtrans-72.8-44.6-177.5-56.1174.4000109.9D237 C241 A242 V243D237-I239 VanDerWaalsContact C-N 3.27Å; D237-I239 PolarHBondContact O-N 3.05Å; D237-I239 WeakPolarHBondContact OD2-CB 3.24Å; I239-C241 VanDerWaalsContact C-N 3.25Å; I239-C241 PolarHBondContact O-N 2.95Å; I239-A242 WeakPolarHBondContact O-CA 3.48Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 3.22Å; I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 WeakPolarHBondContact O-CG2 3.23Å; I239-V243 PolarHBondContact O-N 3.44Å
240S86.4Confident82.6Confident32 Ų3266.8 Ų66.822%0.22443%0.426CS..Hα-helixtrans-57.6-39.6172.253.40000112.2S236 D237 V243 D244S236-S240 PolarHBondContact N-OG 2.79Å; S236-S240 PolarHBondContact OG-OG 3.42Å; D237-S240 PolarHBondContact N-OG 2.94Å; D237-S240 PolarHBondContact O-OG 3.31Å; D237-S240 WeakPolarHBondContact OD1-CB 3.39Å; D237-S240 PolarHBondContact OD1-N 2.88Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; S240-V243 PolarHBondContact O-N 3.28Å; S240-D244 WeakPolarHBondContact O-CB 3.35Å; S240-D244 PolarHBondContact O-N 2.66Å
241C84Confident83.1Confident0 Ų072.5 Ų72.50%045%0.452CS..Hα-helixtrans-64.9-38.4173.1-174.50000112.7Y235 D237 L238 I239 L245Y235-C241 HydrophobicContact CD1-CB 4.01Å; Y235-C241 HydrophobicContact CD2-CB 4.39Å; Y235-C241 HydrophobicContact CE1-CB 4.32Å; Y235-C241 HydrophobicContact CG-CB 4.06Å; D237-C241 PolarHBondContact O-N 2.76Å; L238-C241 PolarHBondContact O-N 2.63Å; I239-C241 VanDerWaalsContact C-N 3.25Å; I239-C241 PolarHBondContact O-N 2.95Å; C241-L245 WeakPolarHBondContact O-CB 3.28Å; C241-L245 WeakPolarHBondContact O-CD1 3.47Å; C241-L245 WeakPolarHBondContact O-CG 3.27Å; C241-L245 PolarHBondContact O-N 3.07Å
242A87Confident83.3Confident27 Ų2768.9 Ų68.922%0.22343%0.429CS..Hα-helixtrans-65.7-44.417700000111.7M223 L238 I239 L245 A246 F253M223-A242 HydrophobicContact SD-CB 3.63Å; L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.42Å; I239-A242 WeakPolarHBondContact O-CA 3.48Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 3.22Å; A242-L245 PolarHBondContact O-N 3.37Å; A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.42Å; A242-F253 WeakPolarHBondContact O-CZ 3.46Å
243V88.1Confident83.7Confident86 Ų8663.8 Ų63.852%0.52139%0.392SS..Hα-helixtrans-62.6-47.3177.7174.30000110.3I239 S240 L245 A246 V247I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 WeakPolarHBondContact O-CG2 3.23Å; I239-V243 PolarHBondContact O-N 3.44Å; S240-V243 PolarHBondContact O-N 3.28Å; V243-L245 VanDerWaalsContact C-N 3.3Å; V243-L245 PolarHBondContact O-N 2.71Å; V243-A246 WeakPolarHBondContact O-CB 3.42Å; V243-A246 PolarHBondContact O-N 3.02Å; V243-A246 VanDerWaalsContact O-N 3.13Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.22Å
244D86.6Confident84.2Confident54 Ų5463 Ų6329%0.28937%0.366SS..Hα-helixtrans-59.1-40.2176.5179.373.3000112.6R226 Y235 S240 V247 T248R226-D244 IonicContact CZ-OD2 3.95Å; R226-D244 IonicContact NH1-OD2 2.65Å; R226-D244 PolarHBondContact NH1-OD2 3.19Å; Y235-D244 HydrophobicContact CE1-CB 3.81Å; Y235-D244 PolarHBondContact OH-OD2 3.32Å; S240-D244 WeakPolarHBondContact O-CB 3.35Å; S240-D244 PolarHBondContact O-N 2.66Å; D244-V247 PolarHBondContact O-N 3.38Å; D244-T248 WeakPolarHBondContact O-CB 3.36Å; D244-T248 PolarHBondContact O-N 2.89Å; D244-T248 PolarHBondContact O-OG1 3.15Å
245L85.5Confident84Confident1 Ų163.4 Ų63.41%0.00537%0.368CS..Hα-helixtrans-65.9-40.7174.9-80.8164.9000112.4V222 M223 C241 A242 V243 V247 T248 G249 F253V222-L245 HydrophobicContact CG1-CD1 4.02Å; V222-L245 HydrophobicContact CG1-CD2 4.01Å; M223-L245 HydrophobicContact CG-CD1 3.6Å; C241-L245 WeakPolarHBondContact O-CB 3.28Å; C241-L245 WeakPolarHBondContact O-CD1 3.47Å; C241-L245 WeakPolarHBondContact O-CG 3.27Å; C241-L245 PolarHBondContact O-N 3.07Å; A242-L245 PolarHBondContact O-N 3.37Å; V243-L245 VanDerWaalsContact C-N 3.3Å; V243-L245 PolarHBondContact O-N 2.71Å; L245-V247 VanDerWaalsContact C-N 3.32Å; L245-T248 PolarHBondContact O-N 2.85Å; L245-G249 CarbonylContact O-C 3.53Å; L245-G249 PolarHBondContact O-N 2.97Å; L245-G249 VanDerWaalsContact O-N 3.1Å; L245-F253 HydrophobicContact CB-CD1 4.27Å; L245-F253 HydrophobicContact CB-CD2 4.29Å; L245-F253 HydrophobicContact CB-CE1 3.69Å; L245-F253 HydrophobicContact CB-CE2 3.7Å; L245-F253 HydrophobicContact CB-CZ 3.38Å; L245-F253 HydrophobicContact CD1-CD1 3.94Å; L245-F253 HydrophobicContact CD1-CE1 3.65Å; L245-F253 HydrophobicContact CD1-CZ 4.25Å; L245-F253 HydrophobicContact CG-CE1 4.31Å; L245-F253 HydrophobicContact CG-CZ 4.45Å
246A87.3Confident83.9Confident58 Ų5863.9 Ų63.948%0.47938%0.381SS..Hα-helixtrans-62.6-41.3176.800000111.2A242 V243 G249 F253A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.42Å; V243-A246 WeakPolarHBondContact O-CB 3.42Å; V243-A246 PolarHBondContact O-N 3.02Å; V243-A246 VanDerWaalsContact O-N 3.13Å; A246-G249 PolarHBondContact O-N 3.3Å; A246-F253 HydrophobicContact CB-CE2 4.3Å
247V88.4Confident84.1Confident119 Ų11961.3 Ų61.372%0.72136%0.358SS*.Hα-helixtrans-68.1-40.6176.6174.50000112V243 D244 L245 G249V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.22Å; D244-V247 PolarHBondContact O-N 3.38Å; L245-V247 VanDerWaalsContact C-N 3.32Å; V247-G249 PolarHBondContact O-N 3.4Å
248T84Confident84.2Confident77 Ų7764.2 Ų64.247%0.47237%0.373SS..Hα-helixtrans-64.7-23.1175.4-51.20000112D244 L245D244-T248 WeakPolarHBondContact O-CB 3.36Å; D244-T248 PolarHBondContact O-N 2.89Å; D244-T248 PolarHBondContact O-OG1 3.15Å; L245-T248 PolarHBondContact O-N 2.85Å
249G85.5Confident84Confident21 Ų2165.7 Ų65.722%0.21639%0.385CS..  trans125.5140.4176.700000112L245 A246 V247 L251 S252L245-G249 CarbonylContact O-C 3.53Å; L245-G249 PolarHBondContact O-N 2.97Å; L245-G249 VanDerWaalsContact O-N 3.1Å; A246-G249 PolarHBondContact O-N 3.3Å; V247-G249 PolarHBondContact O-N 3.4Å; G249-L251 PolarHBondContact O-N 3.47Å; G249-L251 VanDerWaalsContact O-N 3.12Å; G249-S252 WeakPolarHBondContact O-CB 3.38Å; G249-S252 PolarHBondContact O-N 2.88Å; G249-S252 PolarHBondContact O-OG 3.39Å
250P82Confident83.8Confident96 Ų9660.9 Ų60.962%0.62336%0.362SS*.G310 helixtrans-62.5-26.6-170.223-33.7000114S252 F253P250-S252 PolarHBondContact O-N 3.41Å; P250-F253 WeakPolarHBondContact O-CD2 3.02Å; P250-F253 PolarHBondContact O-N 3.39Å
251L85.9Confident83.8Confident145 Ų14562.9 Ų62.976%0.75937%0.368SS*.G310 helixtrans-63.7-19173.9-72.6164.3000112.9G249 F253 F254 K255G249-L251 PolarHBondContact O-N 3.47Å; G249-L251 VanDerWaalsContact O-N 3.12Å; L251-F253 PolarHBondContact O-N 2.97Å; L251-F254 PolarHBondContact O-N 3.45Å; L251-F254 VanDerWaalsContact O-N 3.08Å; L251-K255 PolarHBondContact O-N 3.35Å
252S81.1Confident83.8Confident8 Ų867.7 Ų67.76%0.05639%0.392CS..G310 helixtrans-62.2-31.1175.8-65.50000112.4G249 P250 F254 K255G249-S252 WeakPolarHBondContact O-CB 3.38Å; G249-S252 PolarHBondContact O-N 2.88Å; G249-S252 PolarHBondContact O-OG 3.39Å; P250-S252 PolarHBondContact O-N 3.41Å; S252-F254 PolarHBondContact O-N 3.02Å; S252-K255 PolarHBondContact O-N 3.23Å
253F84.8Confident83.3Confident34 Ų3469.3 Ų69.315%0.14939%0.392CS..G310 helixtrans-66.6-21175.5-70.8-79.9000113.4Q218 P219 V222 M223 A242 L245 A246 P250 L251Q218-F253 WeakPolarHBondContact CG-O 3.5Å; P219-F253 HydrophobicContact CB-CB 4.25Å; P219-F253 HydrophobicContact CB-CD1 3.87Å; P219-F253 HydrophobicContact CB-CG 4.42Å; P219-F253 HydrophobicContact CG-CB 4.36Å; V222-F253 VanDerWaalsContact CG2-O 3.27Å; V222-F253 WeakPolarHBondContact CG2-O 3.32Å; M223-F253 HydrophobicContact CG-CD1 4.46Å; M223-F253 HydrophobicContact CG-CE1 4.06Å; M223-F253 HydrophobicContact SD-CE1 4.03Å; A242-F253 WeakPolarHBondContact O-CZ 3.46Å; L245-F253 HydrophobicContact CB-CD1 4.27Å; L245-F253 HydrophobicContact CB-CD2 4.29Å; L245-F253 HydrophobicContact CB-CE1 3.69Å; L245-F253 HydrophobicContact CB-CE2 3.7Å; L245-F253 HydrophobicContact CB-CZ 3.38Å; L245-F253 HydrophobicContact CD1-CD1 3.94Å; L245-F253 HydrophobicContact CD1-CE1 3.65Å; L245-F253 HydrophobicContact CD1-CZ 4.25Å; L245-F253 HydrophobicContact CG-CE1 4.31Å; L245-F253 HydrophobicContact CG-CZ 4.45Å; A246-F253 HydrophobicContact CB-CE2 4.3Å; P250-F253 WeakPolarHBondContact O-CD2 3.02Å; P250-F253 PolarHBondContact O-N 3.39Å; L251-F253 PolarHBondContact O-N 2.97Å
254F86.7Confident83Confident64 Ų6465.6 Ų65.628%0.28137%0.369SS..G310 helixtrans-103.87-178.4-63.3-81.8000113.2F215 Q218 L251 S252 G256 L257F215-F254 HydrophobicContact CD1-CE1 4.2Å; F215-F254 HydrophobicContact CD2-CD1 4.14Å; F215-F254 AromaticContact CD2-CE1 3.75Å; F215-F254 HydrophobicContact CD2-CE1 3.75Å; F215-F254 AromaticContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CZ 4.03Å; F215-F254 AromaticContact CE2-CD1 3.86Å; F215-F254 HydrophobicContact CE2-CD1 3.86Å; F215-F254 AromaticContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CE1 3.4Å; F215-F254 VanDerWaalsContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CZ 4.02Å; F215-F254 HydrophobicContact CG-CE1 4.14Å; F215-F254 HydrophobicContact CZ-CD1 4.34Å; F215-F254 AromaticContact CZ-CE1 3.48Å; F215-F254 HydrophobicContact CZ-CE1 3.48Å; F215-F254 VanDerWaalsContact CZ-CE1 3.48Å; F215-F254 AromaticContact CZ-CZ 3.64Å; F215-F254 HydrophobicContact CZ-CZ 3.64Å; Q218-F254 HydrophobicContact CB-CD1 4.36Å; Q218-F254 HydrophobicContact CG-CD1 4.35Å; L251-F254 PolarHBondContact O-N 3.45Å; L251-F254 VanDerWaalsContact O-N 3.08Å; S252-F254 PolarHBondContact O-N 3.02Å; F254-G256 PolarHBondContact O-N 3.47Å; F254-L257 HydrophobicContact CD1-CD1 4.46Å; F254-L257 WeakPolarHBondContact O-CB 3.47Å; F254-L257 PolarHBondContact O-N 3.36Å
255K77Confident83Confident132 Ų13263.5 Ų63.557%0.57436%0.36SS*.THydrogen-bonded Turntrans-60.6124.7174-78.9179.6176.5170.70110.3Q218 V222 L251 S252Q218-K255 PolarHBondContact NE2-O 3.4Å; V222-K255 WeakPolarHBondContact CG2-O 3.36Å; L251-K255 PolarHBondContact O-N 3.35Å; S252-K255 PolarHBondContact O-N 3.23Å
256G77.5Confident83.1Confident38 Ų3865.8 Ų65.839%0.39238%0.375SS..THydrogen-bonded Turntrans87.714.2-179.300000114.9Q218 F254 I258 P259 S260Q218-G256 VanDerWaalsContact NE2-C 3.31Å; F254-G256 PolarHBondContact O-N 3.47Å; G256-I258 VanDerWaalsContact C-N 3.35Å; G256-I258 PolarHBondContact O-N 2.9Å; G256-P259 VanDerWaalsContact O-CD 3.28Å; G256-P259 WeakPolarHBondContact O-CD 3.35Å; G256-S260 PolarHBondContact O-N 2.95Å; G256-S260 PolarHBondContact O-OG 2.89Å
257L82.4Confident83.2Confident56 Ų5664 Ų6429%0.29336%0.356SS..Hα-helixtrans-55.4-45.8179.7-172.372.7000112.8T214 F215 Q218 F254 S260 F261T214-L257 HydrophobicContact CG2-CD1 3.79Å; F215-L257 HydrophobicContact CD2-CD2 4.42Å; Q218-L257 HydrophobicContact CB-CD1 3.92Å; Q218-L257 HydrophobicContact CG-CD1 3.88Å; F254-L257 HydrophobicContact CD1-CD1 4.46Å; F254-L257 WeakPolarHBondContact O-CB 3.47Å; F254-L257 PolarHBondContact O-N 3.36Å; L257-S260 WeakPolarHBondContact O-CB 3.28Å; L257-S260 PolarHBondContact O-N 3.42Å; L257-F261 PolarHBondContact O-N 2.96Å
258I82.1Confident83.2Confident124 Ų12458.3 Ų58.364%0.63632%0.322SS*.Hα-helixtrans-61.6-52.9-179.9-64.1170.8000111.3G256 S260 F261 I262G256-I258 VanDerWaalsContact C-N 3.35Å; G256-I258 PolarHBondContact O-N 2.9Å; I258-S260 VanDerWaalsContact C-N 3.27Å; I258-S260 PolarHBondContact O-N 2.87Å; I258-F261 PolarHBondContact O-N 3.31Å; I258-F261 VanDerWaalsContact O-N 3.14Å; I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.45Å; I258-I262 PolarHBondContact O-N 3.08Å
259P76.7Confident83.4Confident87 Ų8755.8 Ų55.857%0.56531%0.306SS*.Hα-helixtrans-54-39.8172-2831.1000114.3G256 R263G256-P259 VanDerWaalsContact O-CD 3.28Å; G256-P259 WeakPolarHBondContact O-CD 3.35Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 PolarHBondContact O-N 3.29Å
260S81.8Confident83.7Confident19 Ų1957.2 Ų57.213%0.13331%0.309CS..Hα-helixtrans-64.6-41.1177.1-67.40000112.1Q218 G256 L257 I258 R263 L264Q218-S260 PolarHBondContact OE1-OG 3.03Å; G256-S260 PolarHBondContact O-N 2.95Å; G256-S260 PolarHBondContact O-OG 2.89Å; L257-S260 WeakPolarHBondContact O-CB 3.28Å; L257-S260 PolarHBondContact O-N 3.42Å; I258-S260 VanDerWaalsContact C-N 3.27Å; I258-S260 PolarHBondContact O-N 2.87Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.78Å
261F85.7Confident84.1Confident75 Ų7552.8 Ų52.833%0.32928%0.28SS..Hα-helixtrans-67.5-49.7177.9176.9-101000111.9A210 T214 L257 I258 R263 L264 A265A210-F261 HydrophobicContact CB-CE2 4.31Å; T214-F261 HydrophobicContact CG2-CB 4.14Å; L257-F261 PolarHBondContact O-N 2.96Å; I258-F261 PolarHBondContact O-N 3.31Å; I258-F261 VanDerWaalsContact O-N 3.14Å; F261-R263 PolarHBondContact O-N 3.24Å; F261-R263 VanDerWaalsContact O-N 3.1Å; F261-L264 PolarHBondContact O-N 3.17Å; F261-A265 HydrophobicContact CD1-CB 4.45Å; F261-A265 HydrophobicContact CD2-CB 4.34Å; F261-A265 HydrophobicContact CE1-CB 4.05Å; F261-A265 HydrophobicContact CE2-CB 3.93Å; F261-A265 HydrophobicContact CZ-CB 3.77Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.49Å
262I82.8Confident84.2Confident100 Ų10046.1 Ų46.151%0.51325%0.245SC..Hα-helixtrans-56.6-31.2178.1-69.1172.1000111I258 P266I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.45Å; I258-I262 PolarHBondContact O-N 3.08Å; I262-P266 WeakPolarHBondContact O-CD 3.32Å; I262-P266 WeakPolarHBondContact O-CG 3.4Å
263R76.6Confident84.5Confident62 Ų6247.8 Ų47.823%0.23425%0.254CS..Hα-helixtrans-75.3-46.9173.3179.6-176.768.896.60.9112.9K35 D221 P259 S260 F261K35-R263 VanDerWaalsContact CD-CD 3.45Å; D221-R263 IonicContact OD2-NH2 3.34Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 PolarHBondContact O-N 3.29Å; S260-R263 PolarHBondContact O-N 2.79Å; F261-R263 PolarHBondContact O-N 3.24Å; F261-R263 VanDerWaalsContact O-N 3.1Å
264L83.3Confident84.8Confident7 Ų748.2 Ų48.24%0.03726%0.256CS..Hα-helixtrans-75.4-37.1-171.4-17657.9000112.2M174 A210 A213 T214 S260 F261 T268M174-L264 HydrophobicContact CE-CD1 3.31Å; M174-L264 HydrophobicContact SD-CD1 4.48Å; A210-L264 HydrophobicContact CB-CG 4.41Å; A213-L264 HydrophobicContact CB-CD2 3.8Å; T214-L264 WeakPolarHBondContact OG1-CD2 3.16Å; S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.78Å; F261-L264 PolarHBondContact O-N 3.17Å; L264-T268 WeakPolarHBondContact O-CB 3.3Å; L264-T268 PolarHBondContact O-N 2.61Å; L264-T268 PolarHBondContact O-OG1 3.31Å
265A86.6Confident84.9Confident11 Ų1145.7 Ų45.79%0.09125%0.246CC..Hα-helixtrans-62.4-51.3-173.100000113A210 F261 H267 T268 V269A210-A265 HydrophobicContact CB-CB 4.11Å; F261-A265 HydrophobicContact CD1-CB 4.45Å; F261-A265 HydrophobicContact CD2-CB 4.34Å; F261-A265 HydrophobicContact CE1-CB 4.05Å; F261-A265 HydrophobicContact CE2-CB 3.93Å; F261-A265 HydrophobicContact CZ-CB 3.77Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.49Å; A265-H267 PolarHBondContact O-N 2.94Å; A265-T268 PolarHBondContact O-N 3.03Å; A265-T268 VanDerWaalsContact O-N 3.11Å; A265-V269 WeakPolarHBondContact O-CB 3.22Å; A265-V269 VanDerWaalsContact O-CG2 3.27Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 3.42Å
266P87.7Confident85.3Confident49 Ų4940.5 Ų40.532%0.31822%0.223SC..Hα-helixtrans-59.7-44.9-178.9-23.934.4000112.6I262 T268 V269 L270I262-P266 WeakPolarHBondContact O-CD 3.32Å; I262-P266 WeakPolarHBondContact O-CG 3.4Å; P266-T268 VanDerWaalsContact C-N 3.33Å; P266-T268 PolarHBondContact O-N 2.88Å; P266-V269 PolarHBondContact O-N 3.01Å; P266-L270 WeakPolarHBondContact O-CB 3.3Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.9Å
267H88.3Confident85.8Confident19 Ų1942.8 Ų42.89%0.08822%0.224CC..Hα-helixtrans-62.4-42.5177-178.9-65.4000111.3T28 Q75 A265 T271T28-H267 HydrophobicContact CG2-CB 4.28Å; Q75-H267 PolarHBondContact NE2-NE2 2.99Å; A265-H267 PolarHBondContact O-N 2.94Å; H267-T271 PolarHBondContact CE1-OG1 3.18Å; H267-T271 PolarHBondContact ND1-OG1 3.47Å; H267-T271 WeakPolarHBondContact O-CB 3.35Å; H267-T271 PolarHBondContact O-N 3.4Å; H267-T271 PolarHBondContact O-OG1 2.92Å
268T88.5Confident86.1Confident0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-66-46.7-179.3-54.60000111.1Q178 A210 L264 A265 P266 T271 F272Q178-T268 HydrophobicContact CG-CG2 4.3Å; Q178-T268 PolarHBondContact NE2-OG1 3.08Å; A210-T268 HydrophobicContact CB-CG2 4.09Å; L264-T268 WeakPolarHBondContact O-CB 3.3Å; L264-T268 PolarHBondContact O-N 2.61Å; L264-T268 PolarHBondContact O-OG1 3.31Å; A265-T268 PolarHBondContact O-N 3.03Å; A265-T268 VanDerWaalsContact O-N 3.11Å; P266-T268 VanDerWaalsContact C-N 3.33Å; P266-T268 PolarHBondContact O-N 2.88Å; T268-T271 PolarHBondContact O-N 2.87Å; T268-F272 HydrophobicContact CG2-CD2 3.7Å; T268-F272 HydrophobicContact CG2-CE2 3.65Å; T268-F272 VanDerWaalsContact O-CD2 3.29Å; T268-F272 WeakPolarHBondContact O-CD2 3.32Å; T268-F272 PolarHBondContact O-N 3.17Å
269V89.3Confident86.3Confident24 Ų2436.9 Ų36.915%0.14519%0.194CC..Hα-helixtrans-58.3-51.4176.5172.90000110.1L203 S206 A265 P266 T271 F272 V273L203-V269 HydrophobicContact CG-CG1 4.29Å; S206-V269 WeakPolarHBondContact OG-CG2 3.42Å; A265-V269 WeakPolarHBondContact O-CB 3.22Å; A265-V269 VanDerWaalsContact O-CG2 3.27Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 3.42Å; P266-V269 PolarHBondContact O-N 3.01Å; V269-T271 VanDerWaalsContact C-N 3.33Å; V269-T271 PolarHBondContact O-N 3.48Å; V269-F272 PolarHBondContact O-N 3.23Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.43Å; V269-V273 VanDerWaalsContact O-CG2 3.24Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.05Å
270L90.9Very high86.6Confident52 Ų5237 Ų3727%0.27219%0.185SC..Hα-helixtrans-61.4-40.6178.8-72.3171.4000112.2A24 C27 T28 P266 V273 F274A24-L270 HydrophobicContact CB-CB 3.76Å; C27-L270 HydrophobicContact CB-CD1 3.96Å; T28-L270 HydrophobicContact CG2-CD1 3.65Å; P266-L270 WeakPolarHBondContact O-CB 3.3Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.9Å; L270-V273 PolarHBondContact O-N 3.32Å; L270-F274 HydrophobicContact CB-CD2 4.35Å; L270-F274 HydrophobicContact CB-CE2 4.06Å; L270-F274 HydrophobicContact CD2-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CZ 4.06Å; L270-F274 VanDerWaalsContact O-CB 3.32Å; L270-F274 WeakPolarHBondContact O-CB 3.27Å; L270-F274 WeakPolarHBondContact O-CD2 3.13Å; L270-F274 WeakPolarHBondContact O-CG 3.41Å; L270-F274 PolarHBondContact O-N 2.9Å
271T90.5Very high86.9Confident2 Ų240.2 Ų40.21%0.01220%0.201CC..Hα-helixtrans-60.3-49.3178.2-600000111A20 S21 A24 F83 H267 T268 V269 L275A20-T271 HydrophobicContact CB-CG2 4.49Å; A20-T271 WeakPolarHBondContact CB-O 3.47Å; S21-T271 VanDerWaalsContact OG-CG2 3.28Å; S21-T271 WeakPolarHBondContact OG-CG2 3.47Å; A24-T271 WeakPolarHBondContact CB-OG1 3.43Å; F83-T271 HydrophobicContact CE2-CG2 4.09Å; F83-T271 HydrophobicContact CZ-CG2 4.11Å; H267-T271 PolarHBondContact CE1-OG1 3.18Å; H267-T271 PolarHBondContact ND1-OG1 3.47Å; H267-T271 WeakPolarHBondContact O-CB 3.35Å; H267-T271 PolarHBondContact O-N 3.4Å; H267-T271 PolarHBondContact O-OG1 2.92Å; T268-T271 PolarHBondContact O-N 2.87Å; V269-T271 VanDerWaalsContact C-N 3.33Å; V269-T271 PolarHBondContact O-N 3.48Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.21Å
272F87.5Confident87Confident6 Ų643.1 Ų43.13%0.02621%0.214CC..Hα-helixtrans-72.7-37.2-178.5-76.8-67.9000112.4F83 Q178 Y182 T268 V269 L275 E276F83-F272 HydrophobicContact CE1-CE1 4.25Å; F83-F272 HydrophobicContact CZ-CE1 4.28Å; F83-F272 HydrophobicContact CZ-CZ 4.47Å; Q178-F272 WeakPolarHBondContact O-CZ 3.36Å; Y182-F272 AromaticContact CD1-CD1 3.83Å; Y182-F272 HydrophobicContact CD1-CD1 3.83Å; Y182-F272 AromaticContact CD1-CE1 3.46Å; Y182-F272 HydrophobicContact CD1-CE1 3.46Å; Y182-F272 VanDerWaalsContact CD1-CE1 3.46Å; Y182-F272 AromaticContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD2-CD1 4.04Å; Y182-F272 HydrophobicContact CD2-CD2 4.02Å; Y182-F272 HydrophobicContact CD2-CE1 4.14Å; Y182-F272 HydrophobicContact CD2-CE2 4.11Å; Y182-F272 AromaticContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CZ 4.17Å; Y182-F272 AromaticContact CE1-CD1 3.63Å; Y182-F272 HydrophobicContact CE1-CD1 3.63Å; Y182-F272 AromaticContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CG 4.42Å; Y182-F272 HydrophobicContact CE2-CB 4.06Å; Y182-F272 AromaticContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD2 4.27Å; Y182-F272 HydrophobicContact CE2-CE1 4.37Å; Y182-F272 AromaticContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CG-CD1 4.02Å; Y182-F272 HydrophobicContact CG-CD2 4.39Å; Y182-F272 AromaticContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE2 4.06Å; Y182-F272 HydrophobicContact CG-CG 4.37Å; Y182-F272 AromaticContact CG-CZ 3.7Å; Y182-F272 HydrophobicContact CG-CZ 3.7Å; Y182-F272 AromaticContact CZ-CD1 3.64Å; T268-F272 HydrophobicContact CG2-CD2 3.7Å; T268-F272 HydrophobicContact CG2-CE2 3.65Å; T268-F272 VanDerWaalsContact O-CD2 3.29Å; T268-F272 WeakPolarHBondContact O-CD2 3.32Å; T268-F272 PolarHBondContact O-N 3.17Å; V269-F272 PolarHBondContact O-N 3.23Å; F272-L275 HydrophobicContact CD1-CD2 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.38Å; F272-L275 PolarHBondContact O-N 3.35Å; F272-E276 WeakPolarHBondContact O-CB 3.39Å; F272-E276 WeakPolarHBondContact O-CG 3.48Å; F272-E276 PolarHBondContact O-N 3.18Å
273V88.2Confident87Confident42 Ų4238.8 Ų38.826%0.25519%0.194SC..Hα-helixtrans-60.7-48.2173.6170.40000110.5V269 L270 L275 E276 Q277V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.43Å; V269-V273 VanDerWaalsContact O-CG2 3.24Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.05Å; L270-V273 PolarHBondContact O-N 3.32Å; V273-L275 PolarHBondContact O-N 2.88Å; V273-E276 PolarHBondContact O-N 3.12Å; V273-Q277 VanDerWaalsContact O-CG 3.31Å; V273-Q277 WeakPolarHBondContact O-CG 3.3Å; V273-Q277 PolarHBondContact O-N 3.21Å
274F90.9Very high87.3Confident43 Ų4341.2 Ų41.219%0.18921%0.208CC..Hα-helixtrans-65.1-38.8176.9-66.1-34000112.4A20 M23 A24 L270 E276 Q277 L278A20-F274 HydrophobicContact CB-CB 3.9Å; M23-F274 HydrophobicContact CB-CD2 3.62Å; M23-F274 HydrophobicContact CB-CE2 3.84Å; M23-F274 HydrophobicContact CB-CG 4.3Å; M23-F274 HydrophobicContact CE-CD1 4.19Å; M23-F274 HydrophobicContact CE-CE1 4.41Å; M23-F274 HydrophobicContact CE-CG 4.27Å; A24-F274 HydrophobicContact CB-CD2 4.18Å; A24-F274 HydrophobicContact CB-CE2 4.36Å; L270-F274 HydrophobicContact CB-CD2 4.35Å; L270-F274 HydrophobicContact CB-CE2 4.06Å; L270-F274 HydrophobicContact CD2-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CZ 4.06Å; L270-F274 VanDerWaalsContact O-CB 3.32Å; L270-F274 WeakPolarHBondContact O-CB 3.27Å; L270-F274 WeakPolarHBondContact O-CD2 3.13Å; L270-F274 WeakPolarHBondContact O-CG 3.41Å; L270-F274 PolarHBondContact O-N 2.9Å; F274-E276 PolarHBondContact O-N 3.31Å; F274-Q277 PolarHBondContact O-N 3.32Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 VanDerWaalsContact O-CG 3.28Å; F274-L278 WeakPolarHBondContact O-CG 3.34Å; F274-L278 PolarHBondContact O-N 2.99Å
275L88.6Confident86.8Confident12 Ų1245.9 Ų45.96%0.06323%0.232CC..Hα-helixtrans-59-48.9175.817859.1000111F16 A20 F83 T271 F272 V273 Q277 L278 I279F16-L275 HydrophobicContact CB-CD1 3.65Å; A20-L275 HydrophobicContact CB-CB 3.91Å; F83-L275 HydrophobicContact CD1-CD2 4.36Å; F83-L275 HydrophobicContact CE1-CD2 3.74Å; F83-L275 HydrophobicContact CZ-CD2 4.29Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.21Å; F272-L275 HydrophobicContact CD1-CD2 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.38Å; F272-L275 PolarHBondContact O-N 3.35Å; V273-L275 PolarHBondContact O-N 2.88Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-Q277 PolarHBondContact O-N 3.02Å; L275-L278 WeakPolarHBondContact O-CB 3.48Å; L275-L278 PolarHBondContact O-N 2.65Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 3.96Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.42Å
276E84.7Confident86.1Confident22 Ų2248.5 Ų48.510%0.10325%0.248CC..Hα-helixtrans-66.7-36.5-179.9-64.7-76.8-171.100111.3Y182 K186 H202 F272 V273 F274 I279 F280Y182-E276 PolarHBondContact OH-OE1 2.78Å; K186-E276 IonicContact NZ-OE1 3.53Å; K186-E276 PolarHBondContact NZ-OE1 3.19Å; K186-E276 IonicContact NZ-OE2 3.27Å; H202-E276 VanDerWaalsContact CE1-CG 3.49Å; H202-E276 WeakPolarHBondContact CE1-CG 3.49Å; H202-E276 IonicContact CE1-OE1 2.82Å; H202-E276 PolarHBondContact CE1-OE1 3.06Å; H202-E276 IonicContact CE1-OE2 3.75Å; H202-E276 IonicContact ND1-OE1 3.34Å; H202-E276 PolarHBondContact ND1-OE1 3.23Å; F272-E276 WeakPolarHBondContact O-CB 3.39Å; F272-E276 WeakPolarHBondContact O-CG 3.48Å; F272-E276 PolarHBondContact O-N 3.18Å; V273-E276 PolarHBondContact O-N 3.12Å; F274-E276 PolarHBondContact O-N 3.31Å; E276-I279 PolarHBondContact O-N 2.95Å; E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.47Å; E276-F280 PolarHBondContact O-N 3.13Å
277Q87.9Confident84.8Confident87 Ų8751.7 Ų51.741%0.40727%0.269SS..Hα-helixtrans-65.9-36.2172.3-68.9-52.7-56.700112.7V273 F274 L275 N281V273-Q277 VanDerWaalsContact O-CG 3.31Å; V273-Q277 WeakPolarHBondContact O-CG 3.3Å; V273-Q277 PolarHBondContact O-N 3.21Å; F274-Q277 PolarHBondContact O-N 3.32Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-Q277 PolarHBondContact O-N 3.02Å; Q277-N281 WeakPolarHBondContact O-CB 3.16Å; Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 PolarHBondContact O-ND2 3.24Å
278L89.2Confident83.3Confident27 Ų2756.9 Ų56.914%0.14131%0.308CS..Hα-helixtrans-67.6-42.8174.2-73.6170.5000111.1F16 V19 A20 F274 L275 F280 F282 G283F16-L278 HydrophobicContact CB-CB 4.39Å; F16-L278 HydrophobicContact CB-CD1 4.36Å; F16-L278 HydrophobicContact CD2-CB 3.91Å; F16-L278 HydrophobicContact CE2-CB 4.33Å; F16-L278 WeakPolarHBondContact CE2-O 3.43Å; F16-L278 HydrophobicContact CG-CB 4.12Å; V19-L278 HydrophobicContact CB-CD1 4.17Å; V19-L278 HydrophobicContact CG1-CD1 4.06Å; A20-L278 HydrophobicContact CB-CD1 4.05Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 VanDerWaalsContact O-CG 3.28Å; F274-L278 WeakPolarHBondContact O-CG 3.34Å; F274-L278 PolarHBondContact O-N 2.99Å; L275-L278 WeakPolarHBondContact O-CB 3.48Å; L275-L278 PolarHBondContact O-N 2.65Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F282 HydrophobicContact CD2-CD2 3.94Å; L278-F282 HydrophobicContact CD2-CE2 4.26Å; L278-F282 WeakPolarHBondContact O-CA 3.42Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å; L278-G283 PolarHBondContact O-N 3.24Å
279I86.4Confident81.4Confident29 Ų2968 Ų6815%0.14936%0.356CS..Hα-helixtrans-61.7-45.1175-65.7167.5000110.5K10 F16 L275 E276 G283K10-I279 HydrophobicContact CB-CG2 4.12Å; K10-I279 WeakPolarHBondContact CD-O 2.87Å; K10-I279 VanDerWaalsContact O-CG2 3.28Å; K10-I279 WeakPolarHBondContact O-CG2 3.37Å; F16-I279 HydrophobicContact CD2-CG1 4Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 3.96Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.42Å; E276-I279 PolarHBondContact O-N 2.95Å; I279-G283 WeakPolarHBondContact O-CA 3.47Å; I279-G283 PolarHBondContact O-N 3.17Å
280F83.7Confident81Confident88 Ų8870.3 Ų70.339%0.38637%0.367SS..Hα-helixtrans-61.6-49.1-179.6175.5-103.4000112.2R7 K10 E276 L278R7-F280 HydrophobicContact CG-CD2 4.5Å; R7-F280 HydrophobicContact CG-CE2 4.36Å; K10-F280 WeakPolarHBondContact CD-O 3.46Å; K10-F280 PolarHBondContact NZ-O 3.35Å; E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.47Å; E276-F280 PolarHBondContact O-N 3.13Å; L278-F280 VanDerWaalsContact C-N 3.35Å
281N86.9Confident80.4Confident88 Ų8871.2 Ų71.247%0.47137%0.372SS..Hα-helixtrans-82.4-40.7-174.2-68.1-57.6000112.7Q277Q277-N281 WeakPolarHBondContact O-CB 3.16Å; Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 PolarHBondContact O-ND2 3.24Å
282F88.8Confident79.9Confident135 Ų13575.1 Ų75.159%0.59239%0.391SS*.Hα-helixtrans-118.8-2.8-169.8-56.9-76.3000114.4F16 L278F16-F282 HydrophobicContact CE1-CB 4.5Å; F16-F282 HydrophobicContact CE2-CB 4.3Å; F16-F282 HydrophobicContact CZ-CB 3.71Å; L278-F282 HydrophobicContact CD2-CD2 3.94Å; L278-F282 HydrophobicContact CD2-CE2 4.26Å; L278-F282 WeakPolarHBondContact O-CA 3.42Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å
283G82.4Confident79.4Confident9 Ų979.1 Ų79.19%0.09341%0.413CS..PPolyproline II helixtrans-66.1152.4177.800000112.8V11 L278 I279V11-G283 WeakPolarHBondContact O-CA 3.41Å; L278-G283 PolarHBondContact O-N 3.24Å; I279-G283 WeakPolarHBondContact O-CA 3.47Å; I279-G283 PolarHBondContact O-N 3.17Å
284H82.7Confident78.9Confident114 Ų11481.4 Ų81.453%0.52842%0.423SS..BIsolated β-bridgetrans-97.4148.5-179-54.2-50.2000110.3K10 V11K10-H284 CarbonylContact C-O 3.59Å; K10-H284 WeakPolarHBondContact CA-O 3.49Å; V11-H284 PolarHBondContact N-O 3.1Å; V11-H284 PolarHBondContact O-N 2.81Å
285L74.2Confident78.1Confident104 Ų10484 Ų8455%0.54544%0.438SS..PPolyproline II helixtrans-73132.7169.3-70.1167.1000108.1K9 K10K9-L285 HydrophobicContact CB-CD2 3.98Å; K10-L285 HydrophobicContact CG-CD2 4.33Å
286P70.1Confident77.3Confident67 Ų6789.1 Ų89.144%0.43547%0.465SS..PPolyproline II helixtrans-59.9141.317623.8-31.4000108.3K9 V11 S288K9-P286 WeakPolarHBondContact O-CD 3.36Å; V11-P286 HydrophobicContact CG2-CB 4.1Å; V11-P286 HydrophobicContact CG2-CG 4.2Å; P286-S288 PolarHBondContact O-N 3.24Å
287P60.7Low76.8Confident116 Ų11694.3 Ų94.375%0.75349%0.493SS*.PPolyproline II helixtrans-56.3126.8177.222.3-30.9000108.8K289P287-K289 PolarHBondContact O-N 3.38Å
288S57.2Low75.8Confident128 Ų12894.9 Ų94.990%0.89550%0.5SS*.  trans-62110172.3-168.60000107.1P286P286-S288 PolarHBondContact O-N 3.24Å
289K47.9Very low74.6Confident234 Ų234101.1 Ų101.1100%1.01753%0.533SS*.  trans-83.40165.3-74.2-174.2178.4175.90109.5P287P287-K289 PolarHBondContact O-N 3.38Å

Retrieved 289 of 289 residues in 62.7 ms (Link to these results)