A0A087YSG9_POEFO Loading...

Tumor necrosis factor, alpha-induced protein 8-like 3

AlphaFold DB , UniProt , Accession A0A087YSG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1L40.4Very low65.1Low228 Ų228141.6 Ų141.6100%1.19478%0.783SS**  0106.40-78.1156.6000108.4
2P57.7Low66.6Low122 Ų122133.9 Ų133.979%0.79275%0.747SS**  trans-104.5123172.434.1-22000109.8
3S47.8Very low67.9Low112 Ų112130.6 Ų130.678%0.78373%0.726SS**  trans176.488.314521.30000109.1Q5S3-Q5 PolarHBondContact O-N 3.16Å; S3-Q5 VanDerWaalsContact O-N 3.12Å
4G54.4Low69Low80 Ų80125.6 Ų125.683%0.82571%0.709SS**  trans-66.3104.415600000107E6G4-E6 PolarHBondContact O-N 3.18Å; G4-E6 VanDerWaalsContact O-N 3.11Å
5Q55.2Low69.8Low187 Ų187125.2 Ų125.287%0.87470%0.702SS**  trans-63110.2168.2-84.2178.8-33.100107.5S3 S7S3-Q5 PolarHBondContact O-N 3.16Å; S3-Q5 VanDerWaalsContact O-N 3.12Å; Q5-S7 PolarHBondContact O-N 2.94Å
6E63.3Low70.7Confident194 Ų194125.5 Ų125.591%0.90770%0.696SS**  trans-60.3111.8163.5-74.8-169.1159.500107.8G4 F8G4-E6 PolarHBondContact O-N 3.18Å; G4-E6 VanDerWaalsContact O-N 3.11Å; E6-F8 PolarHBondContact O-N 2.74Å; E6-F8 VanDerWaalsContact O-N 3.12Å
7S68.8Low71.3Confident109 Ų109121.1 Ų121.176%0.76268%0.68SS**  trans-68.8112177.971.60000108.9Q5 N9Q5-S7 PolarHBondContact O-N 2.94Å; S7-N9 PolarHBondContact O-N 3.32Å
8F77.5Confident71.8Confident165 Ų165121.1 Ų121.172%0.72467%0.673SS**  trans-61.8121.9171.5177.4-98.1000110.1E6 L13E6-F8 PolarHBondContact O-N 2.74Å; E6-F8 VanDerWaalsContact O-N 3.12Å; F8-L13 HydrophobicContact CE2-CD2 4.14Å; F8-L13 HydrophobicContact CZ-CD2 3.82Å
9N83.9Confident72.2Confident85 Ų85123.4 Ų123.446%0.45568%0.676SS.*  trans-109.297.9179.5-174.7-18.3000110.2S7 R11 S12 L13S7-N9 PolarHBondContact O-N 3.32Å; N9-R11 PolarHBondContact O-N 3.4Å; N9-R11 WeakPolarHBondContact OD1-CA 3.04Å; N9-R11 VanDerWaalsContact OD1-CB 3.24Å; N9-R11 WeakPolarHBondContact OD1-CB 3.28Å; N9-R11 PolarHBondContact OD1-N 3.38Å; N9-S12 PolarHBondContact O-N 2.71Å; N9-S12 PolarHBondContact O-OG 2.97Å; N9-S12 PolarHBondContact OD1-N 3.43Å; N9-L13 PolarHBondContact O-N 2.88Å
10S84.4Confident72.5Confident81 Ų81124.3 Ų124.357%0.56667%0.672SS**Hα-helixtrans-60.6-28178.655.90000113.2A14S10-A14 WeakPolarHBondContact O-CB 3.44Å; S10-A14 PolarHBondContact O-N 2.97Å
11R82.8Confident72.7Confident195 Ų195123.3 Ų123.374%0.73667%0.666SS**Hα-helixtrans-69.2-41.4178.3-167.3179.3-173.5167.52.5111.8N9 A14 M15N9-R11 PolarHBondContact O-N 3.4Å; N9-R11 WeakPolarHBondContact OD1-CA 3.04Å; N9-R11 VanDerWaalsContact OD1-CB 3.24Å; N9-R11 WeakPolarHBondContact OD1-CB 3.28Å; N9-R11 PolarHBondContact OD1-N 3.38Å; R11-A14 PolarHBondContact O-N 3.25Å; R11-M15 WeakPolarHBondContact O-CG 3.35Å; R11-M15 PolarHBondContact O-N 3.46Å
12S82.6Confident74.1Confident49 Ų49116.6 Ų116.634%0.34363%0.631SS.*Hα-helixtrans-67.1-39.417768.20000111.4N9 M15 Q16N9-S12 PolarHBondContact O-N 2.71Å; N9-S12 PolarHBondContact O-OG 2.97Å; N9-S12 PolarHBondContact OD1-N 3.43Å; S12-M15 PolarHBondContact O-N 3.35Å; S12-Q16 WeakPolarHBondContact O-CG 3.4Å; S12-Q16 PolarHBondContact O-N 3.23Å
13L83.6Confident74.8Confident91 Ų91113.3 Ų113.348%0.47661%0.61SS.*Hα-helixtrans-63.8-44.7175-172.365.9000111.9F8 N9 M15 Q16 A17F8-L13 HydrophobicContact CE2-CD2 4.14Å; F8-L13 HydrophobicContact CZ-CD2 3.82Å; N9-L13 PolarHBondContact O-N 2.88Å; L13-M15 PolarHBondContact O-N 3.23Å; L13-Q16 PolarHBondContact O-N 3.42Å; L13-A17 PolarHBondContact O-N 2.71Å
14A83Confident76.1Confident60 Ų60114 Ų11450%0.49660%0.599SS.*Hα-helixtrans-61.2-42.6175.400000112S10 R11 A17 Q18S10-A14 WeakPolarHBondContact O-CB 3.44Å; S10-A14 PolarHBondContact O-N 2.97Å; R11-A14 PolarHBondContact O-N 3.25Å; A14-A17 PolarHBondContact O-N 2.97Å; A14-Q18 WeakPolarHBondContact O-CB 3.47Å; A14-Q18 PolarHBondContact O-N 2.9Å
15M82.4Confident77Confident120 Ų120115.2 Ų115.259%0.59159%0.585SS**Hα-helixtrans-64.4-40.3175.4-72.2-153.8-46.600112.7R11 S12 L13 Q18 K19R11-M15 WeakPolarHBondContact O-CG 3.35Å; R11-M15 PolarHBondContact O-N 3.46Å; S12-M15 PolarHBondContact O-N 3.35Å; L13-M15 PolarHBondContact O-N 3.23Å; M15-Q18 PolarHBondContact O-N 2.82Å; M15-K19 WeakPolarHBondContact O-CB 3.31Å; M15-K19 PolarHBondContact O-N 3.36Å
16Q83.1Confident77.7Confident130 Ų130106.3 Ų106.361%0.60754%0.543SS*.Hα-helixtrans-62.9-42.7175.1-73.8177.99.600111.5S12 L13 K19 K20S12-Q16 WeakPolarHBondContact O-CG 3.4Å; S12-Q16 PolarHBondContact O-N 3.23Å; L13-Q16 PolarHBondContact O-N 3.42Å; Q16-K19 PolarHBondContact O-N 3.39Å; Q16-K20 WeakPolarHBondContact O-CB 3.48Å; Q16-K20 PolarHBondContact O-N 2.9Å
17A80.9Confident78.3Confident51 Ų5199.4 Ų99.442%0.42151%0.514SS..Hα-helixtrans-62.5-46.3175.900000111.6L13 A14 K20 I21L13-A17 PolarHBondContact O-N 2.71Å; A14-A17 PolarHBondContact O-N 2.97Å; A17-K20 WeakPolarHBondContact O-CB 3.38Å; A17-K20 PolarHBondContact O-N 2.93Å; A17-I21 WeakPolarHBondContact O-CG1 3.25Å; A17-I21 PolarHBondContact O-N 3.23Å
18Q80.8Confident78.4Confident121 Ų12199.3 Ų99.357%0.56551%0.505SS*.Hα-helixtrans-60.9-47176.8-173.8-179-4.600111.8A14 M15 K20 I21 L22A14-Q18 WeakPolarHBondContact O-CB 3.47Å; A14-Q18 PolarHBondContact O-N 2.9Å; M15-Q18 PolarHBondContact O-N 2.82Å; Q18-K20 VanDerWaalsContact C-N 3.27Å; Q18-K20 PolarHBondContact O-N 2.88Å; Q18-I21 PolarHBondContact O-N 3.23Å; Q18-L22 HydrophobicContact CG-CD1 4.24Å; Q18-L22 PolarHBondContact O-N 3.01Å
19K78.9Confident78Confident165 Ų16593.4 Ų93.472%0.71749%0.486SS*.Hα-helixtrans-58.6-39.9176.9-172.7174-177174.50111.6M15 Q16 S23M15-K19 WeakPolarHBondContact O-CB 3.31Å; M15-K19 PolarHBondContact O-N 3.36Å; Q16-K19 PolarHBondContact O-N 3.39Å; K19-S23 VanDerWaalsContact O-CB 3.3Å; K19-S23 WeakPolarHBondContact O-CB 3.19Å; K19-S23 PolarHBondContact O-N 3.35Å
20K78.1Confident77.4Confident141 Ų14190.2 Ų90.261%0.61347%0.469SS*.Hα-helixtrans-65.9-40.1177.6-169.3174-175.9176.30112.3Q16 A17 Q18 K24Q16-K20 WeakPolarHBondContact O-CB 3.48Å; Q16-K20 PolarHBondContact O-N 2.9Å; A17-K20 WeakPolarHBondContact O-CB 3.38Å; A17-K20 PolarHBondContact O-N 2.93Å; Q18-K20 VanDerWaalsContact C-N 3.27Å; Q18-K20 PolarHBondContact O-N 2.88Å; K20-K24 WeakPolarHBondContact O-CG 3.17Å; K20-K24 PolarHBondContact O-N 3.32Å; K20-K24 VanDerWaalsContact O-N 3.08Å
21I77.1Confident76.9Confident103 Ų10387.7 Ų87.753%0.52845%0.454SS..Hα-helixtrans-66.4-49.1177-66.9167.4000110.6A17 Q18 S23 K24 M25A17-I21 WeakPolarHBondContact O-CG1 3.25Å; A17-I21 PolarHBondContact O-N 3.23Å; Q18-I21 PolarHBondContact O-N 3.23Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.22Å; I21-K24 WeakPolarHBondContact O-CB 3.25Å; I21-K24 PolarHBondContact O-N 3.48Å; I21-K24 VanDerWaalsContact O-N 3.14Å; I21-M25 HydrophobicContact CG2-CG 4.48Å; I21-M25 HydrophobicContact CG2-SD 4.2Å; I21-M25 WeakPolarHBondContact O-CG 3.37Å; I21-M25 PolarHBondContact O-N 2.99Å
22L70.4Confident76.5Confident88 Ų8883.5 Ų83.546%0.46145%0.446SS..Hα-helixtrans-59.9-43.6178.9-70.8172.1000112.1Q18 K24 M25 A26Q18-L22 HydrophobicContact CG-CD1 4.24Å; Q18-L22 PolarHBondContact O-N 3.01Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.46Å; L22-M25 PolarHBondContact O-N 3.03Å; L22-A26 PolarHBondContact O-N 2.96Å
23S72.5Confident76.1Confident52 Ų5286.5 Ų86.536%0.36446%0.456SS..Hα-helixtrans-60.8-41.9175.2174.80000112.2K19 I21 A26 T27K19-S23 VanDerWaalsContact O-CB 3.3Å; K19-S23 WeakPolarHBondContact O-CB 3.19Å; K19-S23 PolarHBondContact O-N 3.35Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.22Å; S23-A26 PolarHBondContact O-N 3.27Å; S23-T27 WeakPolarHBondContact O-CB 3.33Å; S23-T27 PolarHBondContact O-N 3.23Å; S23-T27 PolarHBondContact O-OG1 3.46Å
24K75.1Confident75.5Confident128 Ų12883.8 Ų83.856%0.55744%0.442SS*.Hα-helixtrans-62.6-43.9174.3-78.7-177.8173.9-167.30112.1K20 I21 L22 A26 T27 L28K20-K24 WeakPolarHBondContact O-CG 3.17Å; K20-K24 PolarHBondContact O-N 3.32Å; K20-K24 VanDerWaalsContact O-N 3.08Å; I21-K24 WeakPolarHBondContact O-CB 3.25Å; I21-K24 PolarHBondContact O-N 3.48Å; I21-K24 VanDerWaalsContact O-N 3.14Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.46Å; K24-A26 PolarHBondContact O-N 3.37Å; K24-T27 WeakPolarHBondContact O-CB 3.32Å; K24-T27 PolarHBondContact O-N 2.86Å; K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.44Å
25M73.3Confident75.3Confident105 Ų10585.2 Ų85.252%0.51744%0.444SS..Hα-helixtrans-65.8-37.3178.5-67.6-177.177.700112.5I21 L22 L28 A29 R79I21-M25 HydrophobicContact CG2-CG 4.48Å; I21-M25 HydrophobicContact CG2-SD 4.2Å; I21-M25 WeakPolarHBondContact O-CG 3.37Å; I21-M25 PolarHBondContact O-N 2.99Å; L22-M25 PolarHBondContact O-N 3.03Å; M25-L28 PolarHBondContact O-N 3.38Å; M25-A29 PolarHBondContact O-N 2.87Å; M25-A29 VanDerWaalsContact O-N 3.16Å; M25-R79 PolarHBondContact O-NH1 2.89Å
26A70.4Confident75.5Confident0 Ų081.8 Ų81.80%043%0.428CS..Hα-helixtrans-65.1-44.4173.100000111.6L22 S23 K24 L28 A29 V30 I76L22-A26 PolarHBondContact O-N 2.96Å; S23-A26 PolarHBondContact O-N 3.27Å; K24-A26 PolarHBondContact O-N 3.37Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.26Å; A26-A29 PolarHBondContact O-N 3.1Å; A26-V30 WeakPolarHBondContact O-CG2 3.45Å; A26-V30 PolarHBondContact O-N 3.45Å; A26-V30 VanDerWaalsContact O-N 3.15Å; A26-I76 HydrophobicContact CB-CG1 4.11Å; A26-I76 HydrophobicContact CB-CG2 4.31Å
27T74.7Confident75.7Confident48 Ų4882.4 Ų82.429%0.29444%0.436SS..Hα-helixtrans-58.4-44.5175.5-51.70000111.3S23 K24 V30 A31 L72 I76S23-T27 WeakPolarHBondContact O-CB 3.33Å; S23-T27 PolarHBondContact O-N 3.23Å; S23-T27 PolarHBondContact O-OG1 3.46Å; K24-T27 WeakPolarHBondContact O-CB 3.32Å; K24-T27 PolarHBondContact O-N 2.86Å; T27-V30 PolarHBondContact O-N 3.48Å; T27-A31 WeakPolarHBondContact O-CB 3.35Å; T27-A31 PolarHBondContact O-N 3.31Å; T27-L72 HydrophobicContact CG2-CD2 4.35Å; T27-I76 HydrophobicContact CG2-CD1 4.35Å; T27-I76 VanDerWaalsContact OG1-CD1 3.26Å; T27-I76 WeakPolarHBondContact OG1-CD1 3.42Å
28L70.6Confident76.2Confident108 Ų10880.4 Ų80.457%0.56542%0.418SS*.Hα-helixtrans-63.3-43-180-75.7169.2000112.7K24 M25 A26 A31 N32K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.44Å; M25-L28 PolarHBondContact O-N 3.38Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 3.19Å; L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-OD1 2.93Å
29A68.8Low76.7Confident40 Ų4075.5 Ų75.533%0.33140%0.397SS..Hα-helixtrans-66.8-41.3179.500000112.6M25 A26 A31 N32 M33M25-A29 PolarHBondContact O-N 2.87Å; M25-A29 VanDerWaalsContact O-N 3.16Å; A26-A29 PolarHBondContact O-N 3.1Å; A29-A31 VanDerWaalsContact C-N 3.34Å; A29-N32 PolarHBondContact O-N 3.32Å; A29-M33 PolarHBondContact O-N 3.03Å
30V72.9Confident77.3Confident18 Ų1869.3 Ų69.311%0.10938%0.375CS..Hα-helixtrans-70.2-36.2176.6-174.60000110.4A26 T27 N32 M33 L34 L72A26-V30 WeakPolarHBondContact O-CG2 3.45Å; A26-V30 PolarHBondContact O-N 3.45Å; A26-V30 VanDerWaalsContact O-N 3.15Å; T27-V30 PolarHBondContact O-N 3.48Å; V30-N32 VanDerWaalsContact C-N 3.32Å; V30-N32 PolarHBondContact O-N 3.35Å; V30-M33 WeakPolarHBondContact O-CB 3.33Å; V30-M33 PolarHBondContact O-N 3.23Å; V30-L34 PolarHBondContact O-N 3.41Å; V30-L34 VanDerWaalsContact O-N 3.14Å; V30-L72 HydrophobicContact CB-CD2 3.99Å; V30-L72 HydrophobicContact CG1-CD2 3.96Å
31A72.7Confident78.2Confident28 Ų2866.9 Ų66.923%0.23137%0.366CS..Hα-helixtrans-61.2-42172.700000111.5T27 L28 A29 M33 L34 T35 L72T27-A31 WeakPolarHBondContact O-CB 3.35Å; T27-A31 PolarHBondContact O-N 3.31Å; L28-A31 PolarHBondContact O-N 3.19Å; A29-A31 VanDerWaalsContact C-N 3.34Å; A31-M33 VanDerWaalsContact C-N 3.26Å; A31-M33 PolarHBondContact O-N 2.84Å; A31-L34 CarbonylContact O-C 3.55Å; A31-L34 PolarHBondContact O-N 3.01Å; A31-T35 WeakPolarHBondContact O-CG2 3.42Å; A31-T35 PolarHBondContact O-N 2.86Å; A31-T35 PolarHBondContact O-OG1 3.26Å; A31-L72 HydrophobicContact CB-CD2 3.98Å
32N74.6Confident79.1Confident108 Ų10862.8 Ų62.858%0.57835%0.345SS*.Hα-helixtrans-61.3-34.8177.2-72.6-7.3000112.6L28 A29 V30 T35 D36L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-OD1 2.93Å; A29-N32 PolarHBondContact O-N 3.32Å; V30-N32 VanDerWaalsContact C-N 3.32Å; V30-N32 PolarHBondContact O-N 3.35Å; N32-T35 VanDerWaalsContact CA-OG1 3.31Å; N32-T35 WeakPolarHBondContact CA-OG1 3.45Å; N32-T35 PolarHBondContact O-N 3.48Å; N32-T35 PolarHBondContact O-OG1 3.45Å; N32-D36 PolarHBondContact O-N 3.27Å
33M73.8Confident80.3Confident111 Ų11159.7 Ų59.755%0.54733%0.329SS..Hα-helixtrans-66.5-38.5172.5-174.4-179.1179.700111.3A29 V30 A31 T35 D36A29-M33 PolarHBondContact O-N 3.03Å; V30-M33 WeakPolarHBondContact O-CB 3.33Å; V30-M33 PolarHBondContact O-N 3.23Å; A31-M33 VanDerWaalsContact C-N 3.26Å; A31-M33 PolarHBondContact O-N 2.84Å; M33-T35 VanDerWaalsContact C-N 3.26Å; M33-T35 PolarHBondContact O-N 3.07Å; M33-D36 PolarHBondContact O-N 2.62Å
34L72.3Confident81.5Confident35 Ų3561.7 Ų61.718%0.18334%0.335CS..Hα-helixtrans-75.9-14.8177-64.4174.3000113.8V30 A31 S40 I68 A71 L72V30-L34 PolarHBondContact O-N 3.41Å; V30-L34 VanDerWaalsContact O-N 3.14Å; A31-L34 CarbonylContact O-C 3.55Å; A31-L34 PolarHBondContact O-N 3.01Å; L34-S40 PolarHBondContact O-OG 3.36Å; L34-I68 HydrophobicContact CD1-CG2 4.12Å; L34-A71 HydrophobicContact CD1-CB 3.9Å; L34-A71 HydrophobicContact CD2-CB 3.95Å; L34-A71 HydrophobicContact CG-CB 4.5Å; L34-L72 HydrophobicContact CD1-CD2 4.09Å; L34-L72 HydrophobicContact CD1-CG 3.94Å
35T78.1Confident82.6Confident89 Ų8955.9 Ų55.955%0.54631%0.31SS..THydrogen-bonded Turntrans-103.89.5177.660.50000112.7A31 N32 M33 S40A31-T35 WeakPolarHBondContact O-CG2 3.42Å; A31-T35 PolarHBondContact O-N 2.86Å; A31-T35 PolarHBondContact O-OG1 3.26Å; N32-T35 VanDerWaalsContact CA-OG1 3.31Å; N32-T35 WeakPolarHBondContact CA-OG1 3.45Å; N32-T35 PolarHBondContact O-N 3.48Å; N32-T35 PolarHBondContact O-OG1 3.45Å; M33-T35 VanDerWaalsContact C-N 3.26Å; M33-T35 PolarHBondContact O-N 3.07Å; T35-S40 WeakPolarHBondContact CA-OG 3.29Å
36D86.1Confident83.8Confident49 Ų4952.4 Ų52.426%0.26229%0.293SS..SBendtrans-61.9150.4165.589.181.6000109.2N32 M33 T38 S39 S40N32-D36 PolarHBondContact O-N 3.27Å; M33-D36 PolarHBondContact O-N 2.62Å; D36-T38 PolarHBondContact O-N 3.42Å; D36-T38 WeakPolarHBondContact OD1-CA 3.24Å; D36-T38 WeakPolarHBondContact OD1-CB 3.48Å; D36-T38 PolarHBondContact OD1-N 3.03Å; D36-T38 PolarHBondContact OD1-OG1 3.04Å; D36-S39 PolarHBondContact O-N 2.86Å; D36-S39 PolarHBondContact OD1-N 2.88Å; D36-S39 VanDerWaalsContact OD1-N 3.08Å; D36-S39 WeakPolarHBondContact OD2-CB 3.43Å; D36-S39 PolarHBondContact OD2-N 3.25Å; D36-S39 PolarHBondContact OD2-OG 2.98Å; D36-S40 VanDerWaalsContact O-CB 3.29Å; D36-S40 WeakPolarHBondContact O-CB 3.46Å; D36-S40 PolarHBondContact O-N 3.4Å; D36-S40 PolarHBondContact O-OG 2.91Å
37D87.5Confident85.1Confident142 Ų14253.9 Ų53.976%0.75930%0.299SS*.Hα-helixtrans-59.2-34.7-171.9-67.6-24.7000111.9E41D37-E41 WeakPolarHBondContact O-CB 3.39Å; D37-E41 PolarHBondContact O-N 2.99Å
38T92.1Very high86.3Confident9 Ų955.2 Ų55.26%0.05530%0.301CS..Hα-helixtrans-72.6-52.9-178.7-39.80000110.8D36 S40 E41 I42 K183 L184D36-T38 PolarHBondContact O-N 3.42Å; D36-T38 WeakPolarHBondContact OD1-CA 3.24Å; D36-T38 WeakPolarHBondContact OD1-CB 3.48Å; D36-T38 PolarHBondContact OD1-N 3.03Å; D36-T38 PolarHBondContact OD1-OG1 3.04Å; T38-S40 VanDerWaalsContact C-N 3.26Å; T38-S40 PolarHBondContact O-N 3.46Å; T38-E41 PolarHBondContact O-N 3.48Å; T38-I42 HydrophobicContact CG2-CD1 4.37Å; T38-I42 WeakPolarHBondContact O-CG1 3.37Å; T38-I42 PolarHBondContact O-N 2.9Å; T38-K183 HydrophobicContact CG2-CB 4.13Å; T38-K183 HydrophobicContact CG2-CD 3.83Å; T38-K183 HydrophobicContact CG2-CG 4.23Å; T38-K183 WeakPolarHBondContact OG1-CE 3.48Å; T38-K183 PolarHBondContact OG1-NZ 3.29Å; T38-L184 HydrophobicContact CG2-CD2 4Å; T38-L184 HydrophobicContact CG2-CG 4.03Å
39S90.5Very high87.6Confident18 Ų1850.1 Ų50.113%0.12628%0.275CS..Hα-helixtrans-61.3-38.4178.4-64.50000111.6D36 I42 L43D36-S39 PolarHBondContact O-N 2.86Å; D36-S39 PolarHBondContact OD1-N 2.88Å; D36-S39 VanDerWaalsContact OD1-N 3.08Å; D36-S39 WeakPolarHBondContact OD2-CB 3.43Å; D36-S39 PolarHBondContact OD2-N 3.25Å; D36-S39 PolarHBondContact OD2-OG 2.98Å; S39-I42 PolarHBondContact O-N 3.36Å; S39-L43 VanDerWaalsContact O-CG 3.28Å; S39-L43 WeakPolarHBondContact O-CG 3.36Å; S39-L43 PolarHBondContact O-N 3.25Å
40S92.6Very high89Confident36 Ų3648.2 Ų48.225%0.25226%0.259SS..Hα-helixtrans-64.7-44.4178-56.40000111.9L34 T35 D36 T38 L43 D44L34-S40 PolarHBondContact O-OG 3.36Å; T35-S40 WeakPolarHBondContact CA-OG 3.29Å; D36-S40 VanDerWaalsContact O-CB 3.29Å; D36-S40 WeakPolarHBondContact O-CB 3.46Å; D36-S40 PolarHBondContact O-N 3.4Å; D36-S40 PolarHBondContact O-OG 2.91Å; T38-S40 VanDerWaalsContact C-N 3.26Å; T38-S40 PolarHBondContact O-N 3.46Å; S40-L43 PolarHBondContact O-N 2.89Å; S40-D44 WeakPolarHBondContact O-CB 3.45Å; S40-D44 PolarHBondContact O-N 3.47Å
41E95.3Very high90.2Very high90 Ų9052.1 Ų52.142%0.42127%0.272SS..Hα-helixtrans-63.3-42.6177-174.1168.4-158.400111.6D37 T38 L43 D44 E45 K176D37-E41 WeakPolarHBondContact O-CB 3.39Å; D37-E41 PolarHBondContact O-N 2.99Å; T38-E41 PolarHBondContact O-N 3.48Å; E41-L43 PolarHBondContact O-N 3.35Å; E41-D44 PolarHBondContact O-N 3.24Å; E41-E45 HydrophobicContact CG-CG 4.39Å; E41-E45 WeakPolarHBondContact O-CG 3.41Å; E41-E45 PolarHBondContact O-N 3.35Å; E41-K176 IonicContact OE1-NZ 3.56Å
42I96.4Very high91.4Very high17 Ų1753.8 Ų53.89%0.08728%0.275CS..Hα-helixtrans-59.4-47.4175.5-64.5166.1000110.6T38 S39 D44 E45 L46 I181 L184T38-I42 HydrophobicContact CG2-CD1 4.37Å; T38-I42 WeakPolarHBondContact O-CG1 3.37Å; T38-I42 PolarHBondContact O-N 2.9Å; S39-I42 PolarHBondContact O-N 3.36Å; I42-D44 VanDerWaalsContact C-N 3.31Å; I42-D44 PolarHBondContact O-N 2.9Å; I42-E45 PolarHBondContact O-N 3.48Å; I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.28Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 2.87Å; I42-I181 HydrophobicContact CD1-CG1 4.36Å; I42-L184 HydrophobicContact CD1-CD1 3.54Å; I42-L184 HydrophobicContact CD1-CG 4.26Å
43L96.6Very high92.5Very high22 Ų2251.2 Ų51.212%0.11526%0.258CS..Hα-helixtrans-63-37179.4-70.9174.2000112.4S39 S40 E41 Y47 V67 I68S39-L43 VanDerWaalsContact O-CG 3.28Å; S39-L43 WeakPolarHBondContact O-CG 3.36Å; S39-L43 PolarHBondContact O-N 3.25Å; S40-L43 PolarHBondContact O-N 2.89Å; E41-L43 PolarHBondContact O-N 3.35Å; L43-Y47 WeakPolarHBondContact O-CB 3.49Å; L43-Y47 PolarHBondContact O-N 2.88Å; L43-V67 HydrophobicContact CD2-CG1 3.87Å; L43-I68 HydrophobicContact CD1-CG1 4.24Å
44D97.3Very high93.7Very high95 Ų9547.9 Ų47.951%0.50824%0.244SC..Hα-helixtrans-68.3-38.2177.1-82.1-11.4000112.5S40 E41 I42 Y47 K48S40-D44 WeakPolarHBondContact O-CB 3.45Å; S40-D44 PolarHBondContact O-N 3.47Å; E41-D44 PolarHBondContact O-N 3.24Å; I42-D44 VanDerWaalsContact C-N 3.31Å; I42-D44 PolarHBondContact O-N 2.9Å; D44-Y47 WeakPolarHBondContact O-CB 3.45Å; D44-Y47 PolarHBondContact O-N 3.11Å; D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.23Å; D44-K48 PolarHBondContact O-N 3.11Å
45E98.4Very high94.9Very high5 Ų553.5 Ų53.52%0.02327%0.267CS..Hα-helixtrans-76.1-37.1177.5-61.3-62.1156.300111.4E41 I42 Y47 K48 A49 K176 I177E41-E45 HydrophobicContact CG-CG 4.39Å; E41-E45 WeakPolarHBondContact O-CG 3.41Å; E41-E45 PolarHBondContact O-N 3.35Å; I42-E45 PolarHBondContact O-N 3.48Å; E45-Y47 VanDerWaalsContact C-N 3.27Å; E45-Y47 PolarHBondContact O-N 3.48Å; E45-K48 PolarHBondContact O-N 3.47Å; E45-K48 IonicContact OE1-NZ 3.17Å; E45-K48 PolarHBondContact OE1-NZ 3.37Å; E45-K48 WeakPolarHBondContact OE2-CD 3.32Å; E45-K48 IonicContact OE2-NZ 3.85Å; E45-A49 PolarHBondContact O-N 3.44Å; E45-K176 HydrophobicContact CG-CB 3.75Å; E45-K176 HydrophobicContact CG-CD 3.72Å; E45-K176 HydrophobicContact CG-CG 4.48Å; E45-K176 WeakPolarHBondContact OE1-CD 3.49Å; E45-K176 IonicContact OE1-NZ 3.62Å; E45-K176 PolarHBondContact OE1-NZ 3Å; E45-I177 HydrophobicContact CB-CD1 4.12Å; E45-I177 HydrophobicContact CB-CG1 3.68Å
46L98.2Very high95.8Very high32 Ų3251.1 Ų51.117%0.16825%0.254CS..Hα-helixtrans-59.6-39.4168.2-72172.5000111.5I42 T50 I64 F154 I177I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.28Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 2.87Å; L46-T50 WeakPolarHBondContact O-CB 3.29Å; L46-T50 PolarHBondContact O-N 3.5Å; L46-T50 PolarHBondContact O-OG1 3.14Å; L46-I64 HydrophobicContact CB-CD1 3.93Å; L46-F154 HydrophobicContact CB-CE1 4.28Å; L46-F154 HydrophobicContact CB-CZ 4.23Å; L46-F154 HydrophobicContact CD1-CZ 4.46Å; L46-F154 HydrophobicContact CD2-CD1 4.33Å; L46-F154 HydrophobicContact CD2-CE1 3.75Å; L46-F154 HydrophobicContact CD2-CZ 4.3Å; L46-F154 HydrophobicContact CG-CE1 4.46Å; L46-I177 HydrophobicContact CD2-CD1 3.85Å; L46-I177 HydrophobicContact CD2-CG1 4.46Å; L46-I177 HydrophobicContact CG-CD1 4.2Å; L46-I177 HydrophobicContact CG-CG1 4.43Å
47Y98.4Very high96.4Very high32 Ų3255.4 Ų55.413%0.12527%0.27CS..Hα-helixtrans-60.7-47.4173.6169.6-101.1000111.6L43 D44 E45 T50 R51 A60 H61 I64L43-Y47 WeakPolarHBondContact O-CB 3.49Å; L43-Y47 PolarHBondContact O-N 2.88Å; D44-Y47 WeakPolarHBondContact O-CB 3.45Å; D44-Y47 PolarHBondContact O-N 3.11Å; E45-Y47 VanDerWaalsContact C-N 3.27Å; E45-Y47 PolarHBondContact O-N 3.48Å; Y47-T50 PolarHBondContact O-N 2.88Å; Y47-R51 VanDerWaalsContact O-CB 3.29Å; Y47-R51 WeakPolarHBondContact O-CB 3.43Å; Y47-R51 PolarHBondContact O-N 3.02Å; Y47-A60 HydrophobicContact CD2-CB 3.69Å; Y47-A60 HydrophobicContact CE2-CB 3.53Å; Y47-H61 AromaticContact CE2-CE1 3.55Å; Y47-H61 AromaticContact CE2-CG 3.89Å; Y47-H61 AromaticContact CE2-ND1 3.36Å; Y47-H61 WeakPolarHBondContact CE2-ND1 3.24Å; Y47-H61 AromaticContact CZ-CE1 3.49Å; Y47-H61 VanDerWaalsContact CZ-CE1 3.49Å; Y47-H61 AromaticContact CZ-ND1 3.72Å; Y47-H61 PolarHBondContact OH-CE1 3.37Å; Y47-H61 PolarHBondContact OH-ND1 3.3Å; Y47-I64 HydrophobicContact CD2-CG1 4.18Å
48K98.4Very high96.9Very high76 Ų7656.8 Ų56.833%0.3327%0.27SS..Hα-helixtrans-62.8-50.3-179.6-72.1167-167172.80111.5D44 E45 T50 R51 E52D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.23Å; D44-K48 PolarHBondContact O-N 3.11Å; E45-K48 PolarHBondContact O-N 3.47Å; E45-K48 IonicContact OE1-NZ 3.17Å; E45-K48 PolarHBondContact OE1-NZ 3.37Å; E45-K48 WeakPolarHBondContact OE2-CD 3.32Å; E45-K48 IonicContact OE2-NZ 3.85Å; K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.25Å; K48-R51 PolarHBondContact O-N 2.85Å; K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 PolarHBondContact O-N 2.89Å
49A98.3Very high97.2Very high1 Ų159.1 Ų59.11%0.00828%0.28CS..Hα-helixtrans-58.8-43.8176.900000111.7E45 E52 F53 F159 L163 Y170E45-A49 PolarHBondContact O-N 3.44Å; A49-E52 PolarHBondContact O-N 3Å; A49-F53 WeakPolarHBondContact O-CB 3.37Å; A49-F53 PolarHBondContact O-N 2.8Å; A49-F159 HydrophobicContact CB-CE2 4.21Å; A49-F159 HydrophobicContact CB-CZ 4.27Å; A49-L163 HydrophobicContact CB-CD1 4Å; A49-Y170 HydrophobicContact CB-CD1 4.18Å; A49-Y170 HydrophobicContact CB-CE1 4.23Å
50T98.4Very high97.6Very high0 Ų058.2 Ų58.20%027%0.274CS..Hα-helixtrans-64-43.1176.9-620000112.2L46 Y47 K48 E52 F53 T54 A60 I63 H153L46-T50 WeakPolarHBondContact O-CB 3.29Å; L46-T50 PolarHBondContact O-N 3.5Å; L46-T50 PolarHBondContact O-OG1 3.14Å; Y47-T50 PolarHBondContact O-N 2.88Å; K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.25Å; T50-E52 VanDerWaalsContact C-N 3.31Å; T50-E52 PolarHBondContact O-N 2.96Å; T50-F53 PolarHBondContact O-N 3.2Å; T50-T54 HydrophobicContact CG2-CG2 4.16Å; T50-T54 WeakPolarHBondContact O-CB 3.39Å; T50-T54 WeakPolarHBondContact O-CG2 3.29Å; T50-T54 PolarHBondContact O-N 2.94Å; T50-T54 PolarHBondContact O-OG1 2.87Å; T50-A60 HydrophobicContact CG2-CB 3.8Å; T50-I63 HydrophobicContact CG2-CB 4.46Å; T50-I63 HydrophobicContact CG2-CD1 3.51Å; T50-H153 WeakPolarHBondContact CG2-NE2 3.42Å; T50-H153 PolarHBondContact OG1-NE2 3.27Å
51R98.4Very high97.9Very high100 Ų10061 Ų6138%0.37728%0.282SS..Hα-helixtrans-62.9-42.7177.7-178.1-171.470-176.1-2.2110.6Y47 K48 K55 A60Y47-R51 VanDerWaalsContact O-CB 3.29Å; Y47-R51 WeakPolarHBondContact O-CB 3.43Å; Y47-R51 PolarHBondContact O-N 3.02Å; K48-R51 PolarHBondContact O-N 2.85Å; R51-K55 VanDerWaalsContact O-CA 3.28Å; R51-K55 WeakPolarHBondContact O-CA 3.44Å; R51-K55 PolarHBondContact O-N 3.23Å; R51-A60 HydrophobicContact CB-CB 3.72Å; R51-A60 HydrophobicContact CG-CB 4.5Å
52E97.6Very high98Very high63 Ų6360.2 Ų60.229%0.29428%0.278SS..Hα-helixtrans-65.7-40.7178.6-168.954.4-142.800111.1K48 A49 T50 K55 Y170K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 PolarHBondContact O-N 2.89Å; A49-E52 PolarHBondContact O-N 3Å; T50-E52 VanDerWaalsContact C-N 3.31Å; T50-E52 PolarHBondContact O-N 2.96Å; E52-K55 WeakPolarHBondContact O-CD 3.31Å; E52-K55 WeakPolarHBondContact O-CE 3.37Å; E52-K55 PolarHBondContact O-NZ 2.74Å; E52-K55 IonicContact OE1-NZ 3.56Å; E52-K55 PolarHBondContact OE1-NZ 3.34Å; E52-Y170 VanDerWaalsContact C-OH 3.26Å; E52-Y170 HydrophobicContact CB-CE1 4.11Å; E52-Y170 HydrophobicContact CG-CE1 4.29Å; E52-Y170 HydrophobicContact CG-CE2 4.06Å
53F98.2Very high98.1Very high53 Ų5359.5 Ų59.523%0.23227%0.274CS..Hα-helixtrans-70.4-50.7179.3-178.7-104.9000112.7A49 T50 K55 H153 D158 F159 E162 Y170A49-F53 WeakPolarHBondContact O-CB 3.37Å; A49-F53 PolarHBondContact O-N 2.8Å; T50-F53 PolarHBondContact O-N 3.2Å; F53-K55 PolarHBondContact O-N 3.15Å; F53-H153 AromaticContact CD1-CE1 3.97Å; F53-D158 HydrophobicContact CE2-CB 4.25Å; F53-D158 HydrophobicContact CZ-CB 4.06Å; F53-F159 HydrophobicContact CB-CD2 3.71Å; F53-F159 HydrophobicContact CB-CE2 4.18Å; F53-F159 HydrophobicContact CD1-CB 4.02Å; F53-F159 AromaticContact CD1-CD2 3.87Å; F53-F159 HydrophobicContact CD1-CD2 3.87Å; F53-F159 HydrophobicContact CD1-CG 4.39Å; F53-F159 HydrophobicContact CD2-CB 4.24Å; F53-F159 HydrophobicContact CD2-CD2 4.11Å; F53-F159 HydrophobicContact CE1-CB 3.81Å; F53-F159 VanDerWaalsContact CE2-CA 3.44Å; F53-F159 HydrophobicContact CE2-CB 4.04Å; F53-F159 HydrophobicContact CG-CB 4.22Å; F53-F159 AromaticContact CG-CD2 3.63Å; F53-F159 HydrophobicContact CG-CD2 3.63Å; F53-F159 HydrophobicContact CG-CG 4.42Å; F53-F159 HydrophobicContact CZ-CB 3.82Å; F53-E162 HydrophobicContact CD2-CB 4.17Å; F53-E162 HydrophobicContact CD2-CG 4Å; F53-E162 HydrophobicContact CE2-CG 4.03Å; F53-Y170 WeakPolarHBondContact CA-OH 3.5Å; F53-Y170 WeakPolarHBondContact CB-OH 3.22Å; F53-Y170 PolarHBondContact N-OH 3.03Å
54T97.9Very high98.2Very high42 Ų4259.3 Ų59.326%0.25827%0.273SS..Hα-helixtrans-76.2-12.3-176.260.50000113.4T50 S56T50-T54 HydrophobicContact CG2-CG2 4.16Å; T50-T54 WeakPolarHBondContact O-CB 3.39Å; T50-T54 WeakPolarHBondContact O-CG2 3.29Å; T50-T54 PolarHBondContact O-N 2.94Å; T50-T54 PolarHBondContact O-OG1 2.87Å; T54-S56 PolarHBondContact O-N 3.42Å; T54-S56 PolarHBondContact OG1-N 3.45Å; T54-S56 PolarHBondContact OG1-O 3.17Å
55K98.1Very high98.2Very high152 Ų15259.4 Ų59.466%0.66127%0.269SS*.THydrogen-bonded Turntrans49.428.6-167.6-52.6-62.1179.2-150.40112.5R51 E52 F53R51-K55 VanDerWaalsContact O-CA 3.28Å; R51-K55 WeakPolarHBondContact O-CA 3.44Å; R51-K55 PolarHBondContact O-N 3.23Å; E52-K55 WeakPolarHBondContact O-CD 3.31Å; E52-K55 WeakPolarHBondContact O-CE 3.37Å; E52-K55 PolarHBondContact O-NZ 2.74Å; E52-K55 IonicContact OE1-NZ 3.56Å; E52-K55 PolarHBondContact OE1-NZ 3.34Å; F53-K55 PolarHBondContact O-N 3.15Å
56S98.4Very high98.2Very high39 Ų3959.7 Ų59.727%0.27327%0.271SS..  trans-137.1104.7-172.2-179.70000111.9T54 K58 E59 A60T54-S56 PolarHBondContact O-N 3.42Å; T54-S56 PolarHBondContact OG1-N 3.45Å; T54-S56 PolarHBondContact OG1-O 3.17Å; S56-K58 PolarHBondContact O-N 2.91Å; S56-E59 PolarHBondContact O-N 3.49Å; S56-E59 WeakPolarHBondContact OG-CB 3.27Å; S56-E59 PolarHBondContact OG-N 2.98Å; S56-E59 VanDerWaalsContact OG-N 3.13Å; S56-A60 WeakPolarHBondContact O-CB 3.4Å; S56-A60 PolarHBondContact O-N 3.46Å
57K98.1Very high98.1Very high139 Ų13959.8 Ų59.860%0.60427%0.273SS*.Hα-helixtrans-55.1-39.5171.1178.9171.9-175-177.40111.6H61K57-H61 WeakPolarHBondContact CE-CE1 3.3Å; K57-H61 WeakPolarHBondContact CG-ND1 3.49Å; K57-H61 WeakPolarHBondContact O-CB 3.48Å; K57-H61 PolarHBondContact O-N 3.32Å; K57-H61 PolarHBondContact O-ND1 3.03Å
58K98.5Very high97.9Very high172 Ų17261.2 Ų61.275%0.74828%0.282SS*.Hα-helixtrans-65.2-43.3-178.7-178.4-177.5173.4-173.70111.1S56 K62S56-K58 PolarHBondContact O-N 2.91Å; K58-K62 WeakPolarHBondContact O-CB 3.48Å; K58-K62 PolarHBondContact O-N 2.93Å; K58-K62 VanDerWaalsContact O-N 3.12Å
59E98.4Very high97.7Very high57 Ų5760.9 Ų60.927%0.26628%0.28SS..Hα-helixtrans-73.4-43.5-178.2-161.162.3-173.500111.7S56 H61 K62 I63 H149S56-E59 PolarHBondContact O-N 3.49Å; S56-E59 WeakPolarHBondContact OG-CB 3.27Å; S56-E59 PolarHBondContact OG-N 2.98Å; S56-E59 VanDerWaalsContact OG-N 3.13Å; E59-H61 VanDerWaalsContact C-N 3.33Å; E59-H61 PolarHBondContact O-N 3.4Å; E59-K62 WeakPolarHBondContact O-CA 3.37Å; E59-K62 WeakPolarHBondContact O-CB 3.39Å; E59-K62 PolarHBondContact O-N 2.97Å; E59-K62 IonicContact OE1-NZ 3.32Å; E59-K62 PolarHBondContact OE1-NZ 3.15Å; E59-K62 IonicContact OE2-NZ 3.61Å; E59-I63 HydrophobicContact CG-CD1 4.14Å; E59-I63 PolarHBondContact O-N 2.78Å; E59-H149 IonicContact OE1-CD2 3.97Å; E59-H149 IonicContact OE1-CE1 3.15Å; E59-H149 IonicContact OE1-NE2 2.9Å; E59-H149 PolarHBondContact OE1-NE2 3.1Å
60A98.4Very high97.6Very high0 Ų061.5 Ų61.50%028%0.283CS..Hα-helixtrans-56.9-45.1173.900000112.6Y47 T50 R51 S56 K62 I63 I64Y47-A60 HydrophobicContact CD2-CB 3.69Å; Y47-A60 HydrophobicContact CE2-CB 3.53Å; T50-A60 HydrophobicContact CG2-CB 3.8Å; R51-A60 HydrophobicContact CB-CB 3.72Å; R51-A60 HydrophobicContact CG-CB 4.5Å; S56-A60 WeakPolarHBondContact O-CB 3.4Å; S56-A60 PolarHBondContact O-N 3.46Å; A60-K62 VanDerWaalsContact C-N 3.26Å; A60-K62 PolarHBondContact O-N 3.27Å; A60-I63 PolarHBondContact O-N 3.38Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 3.09Å; A60-I64 VanDerWaalsContact O-N 3.14Å
61H98Very high97.3Very high93 Ų9363 Ų6343%0.43130%0.296SS..Hα-helixtrans-61.3-36.2174.1-85.286.8000112.5Y47 K57 E59 K65Y47-H61 AromaticContact CE2-CE1 3.55Å; Y47-H61 AromaticContact CE2-CG 3.89Å; Y47-H61 AromaticContact CE2-ND1 3.36Å; Y47-H61 WeakPolarHBondContact CE2-ND1 3.24Å; Y47-H61 AromaticContact CZ-CE1 3.49Å; Y47-H61 VanDerWaalsContact CZ-CE1 3.49Å; Y47-H61 AromaticContact CZ-ND1 3.72Å; Y47-H61 PolarHBondContact OH-CE1 3.37Å; Y47-H61 PolarHBondContact OH-ND1 3.3Å; K57-H61 WeakPolarHBondContact CE-CE1 3.3Å; K57-H61 WeakPolarHBondContact CG-ND1 3.49Å; K57-H61 WeakPolarHBondContact O-CB 3.48Å; K57-H61 PolarHBondContact O-N 3.32Å; K57-H61 PolarHBondContact O-ND1 3.03Å; E59-H61 VanDerWaalsContact C-N 3.33Å; E59-H61 PolarHBondContact O-N 3.4Å; H61-K65 WeakPolarHBondContact O-CB 3.44Å; H61-K65 PolarHBondContact O-N 2.99Å
62K98.6Very high96.9Very high74 Ų7459.8 Ų59.832%0.32229%0.286SS..Hα-helixtrans-70.3-44.5-178.5-174.7-174.5151.4-128.50110.9K58 E59 A60 K65 D66 H149K58-K62 WeakPolarHBondContact O-CB 3.48Å; K58-K62 PolarHBondContact O-N 2.93Å; K58-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact O-CA 3.37Å; E59-K62 WeakPolarHBondContact O-CB 3.39Å; E59-K62 PolarHBondContact O-N 2.97Å; E59-K62 IonicContact OE1-NZ 3.32Å; E59-K62 PolarHBondContact OE1-NZ 3.15Å; E59-K62 IonicContact OE2-NZ 3.61Å; A60-K62 VanDerWaalsContact C-N 3.26Å; A60-K62 PolarHBondContact O-N 3.27Å; K62-K65 PolarHBondContact O-N 3.36Å; K62-D66 WeakPolarHBondContact O-CB 3.47Å; K62-D66 VanDerWaalsContact O-CG 3.26Å; K62-D66 PolarHBondContact O-N 3.4Å; K62-H149 VanDerWaalsContact CE-CE1 3.46Å; K62-H149 WeakPolarHBondContact CE-CE1 3.29Å; K62-H149 PolarHBondContact NZ-CE1 3.31Å; K62-H149 VanDerWaalsContact NZ-CE1 3.31Å; K62-H149 PolarHBondContact NZ-NE2 2.9Å
63I98.6Very high96.6Very high3 Ų359.8 Ų59.82%0.01529%0.285CS..Hα-helixtrans-58.7-53177.2-70.5163.7000110.3T50 E59 A60 K65 D66 V67 H149 H153 F154T50-I63 HydrophobicContact CG2-CB 4.46Å; T50-I63 HydrophobicContact CG2-CD1 3.51Å; E59-I63 HydrophobicContact CG-CD1 4.14Å; E59-I63 PolarHBondContact O-N 2.78Å; A60-I63 PolarHBondContact O-N 3.38Å; I63-K65 PolarHBondContact O-N 3.44Å; I63-D66 WeakPolarHBondContact O-CA 3.25Å; I63-D66 WeakPolarHBondContact O-CB 3.02Å; I63-D66 PolarHBondContact O-N 3.05Å; I63-V67 PolarHBondContact O-N 3.42Å; I63-H149 VanDerWaalsContact CG1-CE1 3.43Å; I63-H149 WeakPolarHBondContact CG1-CE1 3.46Å; I63-H153 HydrophobicContact CD1-CB 3.93Å; I63-F154 HydrophobicContact CG2-CE2 3.77Å; I63-F154 HydrophobicContact CG2-CZ 3.89Å
64I98Very high96.3Very high18 Ų1858.6 Ų58.69%0.09228%0.281CS..Hα-helixtrans-65.4-39.2-177.9-59.4-66.9000111.9L46 Y47 A60 D66 V67 I68 F154L46-I64 HydrophobicContact CB-CD1 3.93Å; Y47-I64 HydrophobicContact CD2-CG1 4.18Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 3.09Å; A60-I64 VanDerWaalsContact O-N 3.14Å; I64-D66 PolarHBondContact O-N 3.09Å; I64-V67 WeakPolarHBondContact O-CB 3.29Å; I64-V67 PolarHBondContact O-N 2.87Å; I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 WeakPolarHBondContact O-CG1 3.47Å; I64-I68 PolarHBondContact O-N 2.82Å; I64-F154 HydrophobicContact CD1-CZ 4.4Å
65K96.9Very high96Very high97 Ų9757.6 Ų57.642%0.42228%0.278SS..Hα-helixtrans-60.8-35.9172176.2-175.170.9-154.90112.1H61 K62 I63 K69H61-K65 WeakPolarHBondContact O-CB 3.44Å; H61-K65 PolarHBondContact O-N 2.99Å; K62-K65 PolarHBondContact O-N 3.36Å; I63-K65 PolarHBondContact O-N 3.44Å; K65-K69 HydrophobicContact CG-CD 4.2Å; K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 VanDerWaalsContact O-CG 3.22Å; K65-K69 WeakPolarHBondContact O-CG 3.46Å; K65-K69 PolarHBondContact O-N 3.42Å
66D98.4Very high95.5Very high11 Ų1151.9 Ų51.96%0.05926%0.255CS..Hα-helixtrans-72.4-39178-74-20.2000111.1K62 I63 I64 I68 K69 I70 R146 H149 V150K62-D66 WeakPolarHBondContact O-CB 3.47Å; K62-D66 VanDerWaalsContact O-CG 3.26Å; K62-D66 PolarHBondContact O-N 3.4Å; I63-D66 WeakPolarHBondContact O-CA 3.25Å; I63-D66 WeakPolarHBondContact O-CB 3.02Å; I63-D66 PolarHBondContact O-N 3.05Å; I64-D66 PolarHBondContact O-N 3.09Å; D66-I68 PolarHBondContact O-N 3.31Å; D66-K69 PolarHBondContact O-N 2.94Å; D66-I70 VanDerWaalsContact O-CD1 3.32Å; D66-I70 WeakPolarHBondContact O-CD1 2.93Å; D66-I70 WeakPolarHBondContact O-CG1 3.18Å; D66-I70 PolarHBondContact O-N 3.42Å; D66-R146 HydrophobicContact CB-CB 4.02Å; D66-R146 HydrophobicContact CB-CG 4.08Å; D66-R146 WeakPolarHBondContact OD1-CD 3.09Å; D66-R146 WeakPolarHBondContact OD1-CG 3.39Å; D66-R146 IonicContact OD1-NE 3.59Å; D66-H149 IonicContact OD2-CE1 3.74Å; D66-H149 IonicContact OD2-CG 2.67Å; D66-H149 IonicContact OD2-ND1 2.86Å; D66-H149 PolarHBondContact OD2-ND1 3.32Å; D66-V150 HydrophobicContact CB-CG2 3.8Å
67V97Very high95.2Very high34 Ų3451 Ų5121%0.20625%0.247CC..Hα-helixtrans-51.9-56.7168.3175.70000110.5L43 I63 I64 K69 I70 A71 V150 F154L43-V67 HydrophobicContact CD2-CG1 3.87Å; I63-V67 PolarHBondContact O-N 3.42Å; I64-V67 WeakPolarHBondContact O-CB 3.29Å; I64-V67 PolarHBondContact O-N 2.87Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.39Å; V67-I70 PolarHBondContact O-N 2.87Å; V67-I70 VanDerWaalsContact O-N 3.14Å; V67-A71 WeakPolarHBondContact O-CB 3.41Å; V67-A71 PolarHBondContact O-N 2.92Å; V67-V150 HydrophobicContact CG2-CB 4.38Å; V67-V150 HydrophobicContact CG2-CG1 3.64Å; V67-V150 HydrophobicContact CG2-CG2 3.75Å; V67-F154 HydrophobicContact CG2-CE2 4.06Å
68I93.7Very high94.8Very high61 Ų6150 Ų5031%0.31324%0.24SC..Hα-helixtrans-57.7-43-179-66.8166.2000110.9L34 L43 I64 D66 I70 L72L34-I68 HydrophobicContact CD1-CG2 4.12Å; L43-I68 HydrophobicContact CD1-CG1 4.24Å; I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 WeakPolarHBondContact O-CG1 3.47Å; I64-I68 PolarHBondContact O-N 2.82Å; D66-I68 PolarHBondContact O-N 3.31Å; I68-I70 PolarHBondContact O-N 2.96Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.32Å; I68-L72 WeakPolarHBondContact O-CB 3.42Å; I68-L72 VanDerWaalsContact O-CG 3.25Å; I68-L72 WeakPolarHBondContact O-CG 3.12Å; I68-L72 PolarHBondContact O-N 3.36Å
69K93.7Very high94.2Very high70 Ų7046.8 Ų46.830%0.30422%0.223SC..Hα-helixtrans-67.5-34.8-179.6-78.3178.4-178.5-173.40113.3K65 D66 V67 K73K65-K69 HydrophobicContact CG-CD 4.2Å; K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 VanDerWaalsContact O-CG 3.22Å; K65-K69 WeakPolarHBondContact O-CG 3.46Å; K65-K69 PolarHBondContact O-N 3.42Å; D66-K69 PolarHBondContact O-N 2.94Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.39Å; K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 VanDerWaalsContact O-CG 3.26Å; K69-K73 WeakPolarHBondContact O-CG 3.4Å; K69-K73 PolarHBondContact O-N 3.31Å
70I96Very high93.7Very high14 Ų1446.6 Ų46.67%0.07222%0.224CC..Hα-helixtrans-70.7-50.7177-67.9158.5000109.1D66 V67 I68 L72 K73 I74 L131 R146 I147 V150D66-I70 VanDerWaalsContact O-CD1 3.32Å; D66-I70 WeakPolarHBondContact O-CD1 2.93Å; D66-I70 WeakPolarHBondContact O-CG1 3.18Å; D66-I70 PolarHBondContact O-N 3.42Å; V67-I70 PolarHBondContact O-N 2.87Å; V67-I70 VanDerWaalsContact O-N 3.14Å; I68-I70 PolarHBondContact O-N 2.96Å; I70-L72 PolarHBondContact O-N 2.6Å; I70-K73 PolarHBondContact O-N 3.4Å; I70-K73 VanDerWaalsContact O-N 3.07Å; I70-I74 HydrophobicContact CG2-CD1 3.51Å; I70-I74 HydrophobicContact CG2-CG1 4.45Å; I70-I74 WeakPolarHBondContact O-CG1 3.05Å; I70-I74 PolarHBondContact O-N 2.99Å; I70-L131 HydrophobicContact CG2-CD2 3.71Å; I70-R146 HydrophobicContact CD1-CB 3.85Å; I70-R146 HydrophobicContact CG1-CB 4.03Å; I70-I147 HydrophobicContact CD1-CB 4.43Å; I70-I147 HydrophobicContact CD1-CG1 3.85Å; I70-I147 HydrophobicContact CG1-CG1 4.08Å; I70-I147 HydrophobicContact CG2-CG1 4.16Å; I70-V150 HydrophobicContact CD1-CB 4.43Å; I70-V150 HydrophobicContact CD1-CG2 3.97Å
71A92.3Very high93.3Very high31 Ų3154.8 Ų54.826%0.25626%0.262SS..Hα-helixtrans-56.6-46.7178.400000112.2L34 V67 K73 I74 G75L34-A71 HydrophobicContact CD1-CB 3.9Å; L34-A71 HydrophobicContact CD2-CB 3.95Å; L34-A71 HydrophobicContact CG-CB 4.5Å; V67-A71 WeakPolarHBondContact O-CB 3.41Å; V67-A71 PolarHBondContact O-N 2.92Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.36Å; A71-I74 PolarHBondContact O-N 2.73Å; A71-G75 PolarHBondContact O-N 3.41Å
72L89.8Confident93.1Very high32 Ų3255.6 Ų55.617%0.16827%0.266CS..Hα-helixtrans-57.5-44.5175-76.5174.1000112.5T27 V30 A31 L34 I68 I70 I76T27-L72 HydrophobicContact CG2-CD2 4.35Å; V30-L72 HydrophobicContact CB-CD2 3.99Å; V30-L72 HydrophobicContact CG1-CD2 3.96Å; A31-L72 HydrophobicContact CB-CD2 3.98Å; L34-L72 HydrophobicContact CD1-CD2 4.09Å; L34-L72 HydrophobicContact CD1-CG 3.94Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.32Å; I68-L72 WeakPolarHBondContact O-CB 3.42Å; I68-L72 VanDerWaalsContact O-CG 3.25Å; I68-L72 WeakPolarHBondContact O-CG 3.12Å; I68-L72 PolarHBondContact O-N 3.36Å; I70-L72 PolarHBondContact O-N 2.6Å; L72-I76 WeakPolarHBondContact O-CB 3.06Å; L72-I76 VanDerWaalsContact O-CD1 3.27Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.31Å
73K91.5Very high93Very high63 Ų6352.9 Ų52.927%0.27425%0.254SS..Hα-helixtrans-65.6-45.6-178.7-79.4178.8166.7-144.20111.9K69 I70 A71 I76 L77 L139 S143K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 VanDerWaalsContact O-CG 3.26Å; K69-K73 WeakPolarHBondContact O-CG 3.4Å; K69-K73 PolarHBondContact O-N 3.31Å; I70-K73 PolarHBondContact O-N 3.4Å; I70-K73 VanDerWaalsContact O-N 3.07Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.36Å; K73-I76 PolarHBondContact O-N 2.93Å; K73-L77 WeakPolarHBondContact O-CG 3.17Å; K73-L77 PolarHBondContact O-N 3.02Å; K73-L139 HydrophobicContact CB-CD1 4.06Å; K73-L139 HydrophobicContact CB-CD2 4.25Å; K73-L139 HydrophobicContact CD-CD1 3.99Å; K73-L139 HydrophobicContact CD-CD2 3.97Å; K73-L139 HydrophobicContact CG-CD2 4.43Å; K73-S143 PolarHBondContact NZ-OG 3.06Å
74I93Very high92.9Very high29 Ų2955 Ų5515%0.14927%0.27CS..Hα-helixtrans-64.9-47.2179.1-65.2158.6000110.2I70 A71 I76 L77 Y78 L131 L134 V135I70-I74 HydrophobicContact CG2-CD1 3.51Å; I70-I74 HydrophobicContact CG2-CG1 4.45Å; I70-I74 WeakPolarHBondContact O-CG1 3.05Å; I70-I74 PolarHBondContact O-N 2.99Å; A71-I74 PolarHBondContact O-N 2.73Å; I74-I76 VanDerWaalsContact C-N 3.27Å; I74-I76 PolarHBondContact O-N 3Å; I74-L77 WeakPolarHBondContact O-CB 3.39Å; I74-L77 PolarHBondContact O-N 3.45Å; I74-L77 VanDerWaalsContact O-N 3.1Å; I74-Y78 WeakPolarHBondContact O-CB 3.36Å; I74-Y78 PolarHBondContact O-N 2.89Å; I74-L131 HydrophobicContact CD1-CD1 3.26Å; I74-L131 HydrophobicContact CD1-CD2 3.99Å; I74-L131 HydrophobicContact CD1-CG 3.94Å; I74-L131 HydrophobicContact CG1-CD1 4.28Å; I74-L134 HydrophobicContact CG2-CD2 4.27Å; I74-V135 HydrophobicContact CG1-CG1 4.11Å
75G89.6Confident92.8Very high20 Ų2059.2 Ų59.221%0.20630%0.298CS..Hα-helixtrans-60.2-36.7178.200000112.6A71 R79A71-G75 PolarHBondContact O-N 3.41Å; G75-R79 VanDerWaalsContact O-CB 3.25Å; G75-R79 WeakPolarHBondContact O-CB 3.36Å; G75-R79 PolarHBondContact O-N 3.39Å
76I89.1Confident92.8Very high33 Ų3360.9 Ų60.917%0.16931%0.312CS..Hα-helixtrans-66.7-42.9174.6-70163.2000111.4A26 T27 L72 K73 I74 N80A26-I76 HydrophobicContact CB-CG1 4.11Å; A26-I76 HydrophobicContact CB-CG2 4.31Å; T27-I76 HydrophobicContact CG2-CD1 4.35Å; T27-I76 VanDerWaalsContact OG1-CD1 3.26Å; T27-I76 WeakPolarHBondContact OG1-CD1 3.42Å; L72-I76 WeakPolarHBondContact O-CB 3.06Å; L72-I76 VanDerWaalsContact O-CD1 3.27Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.31Å; K73-I76 PolarHBondContact O-N 2.93Å; I74-I76 VanDerWaalsContact C-N 3.27Å; I74-I76 PolarHBondContact O-N 3Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.43Å; I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.44Å; I76-N80 VanDerWaalsContact O-CG 3.25Å; I76-N80 PolarHBondContact O-N 2.56Å; I76-N80 PolarHBondContact O-ND2 3.18Å
77L91.6Very high92.8Very high21 Ų2162.2 Ų62.211%0.1132%0.317CS..Hα-helixtrans-62-47.5176.8-70.7169.2000110.9K73 I74 N80 H81 Q82 F83 H138 L139K73-L77 WeakPolarHBondContact O-CG 3.17Å; K73-L77 PolarHBondContact O-N 3.02Å; I74-L77 WeakPolarHBondContact O-CB 3.39Å; I74-L77 PolarHBondContact O-N 3.45Å; I74-L77 VanDerWaalsContact O-N 3.1Å; L77-N80 PolarHBondContact O-N 3.08Å; L77-H81 PolarHBondContact O-N 3.37Å; L77-Q82 HydrophobicContact CB-CB 4.3Å; L77-Q82 HydrophobicContact CD2-CB 3.79Å; L77-Q82 HydrophobicContact CD2-CG 4.06Å; L77-Q82 WeakPolarHBondContact O-CB 3.46Å; L77-Q82 PolarHBondContact O-N 2.86Å; L77-F83 HydrophobicContact CB-CD2 4.49Å; L77-F83 HydrophobicContact CB-CE1 4.01Å; L77-F83 HydrophobicContact CB-CE2 3.78Å; L77-F83 HydrophobicContact CB-CZ 3.5Å; L77-F83 HydrophobicContact CD1-CE1 4.01Å; L77-F83 HydrophobicContact CD1-CZ 3.9Å; L77-F83 HydrophobicContact CG-CZ 4.34Å; L77-H138 HydrophobicContact CD1-CB 3.64Å; L77-H138 HydrophobicContact CD2-CB 3.97Å; L77-H138 HydrophobicContact CG-CB 4.48Å; L77-L139 HydrophobicContact CD1-CD2 4.1Å; L77-L139 HydrophobicContact CD1-CG 4.22Å
78Y89Confident92.8Very high118 Ų11864.1 Ų64.146%0.46333%0.326SS..Hα-helixtrans-60.1-51.6178.5-170.9-95.5000111.6I74 N80 H81 F83 L88 V91I74-Y78 WeakPolarHBondContact O-CB 3.36Å; I74-Y78 PolarHBondContact O-N 2.89Å; Y78-N80 VanDerWaalsContact C-N 3.28Å; Y78-N80 PolarHBondContact O-N 3.49Å; Y78-H81 PolarHBondContact O-N 3.28Å; Y78-F83 HydrophobicContact CD2-CD2 4.14Å; Y78-F83 HydrophobicContact CD2-CE2 4.36Å; Y78-L88 HydrophobicContact CD2-CD2 4.3Å; Y78-L88 HydrophobicContact CE2-CD2 3.98Å; Y78-V91 HydrophobicContact CD2-CG1 4.3Å; Y78-V91 HydrophobicContact CD2-CG2 4.42Å; Y78-V91 HydrophobicContact CE2-CG1 4.03Å
79R86.8Confident92.9Very high103 Ų10365.9 Ų65.939%0.38934%0.336SS..Hα-helixtrans-65.7-30.1-177.8-161.3-174.7106.8152.43.7113.4M25 G75M25-R79 PolarHBondContact O-NH1 2.89Å; G75-R79 VanDerWaalsContact O-CB 3.25Å; G75-R79 WeakPolarHBondContact O-CB 3.36Å; G75-R79 PolarHBondContact O-N 3.39Å
80N87.9Confident93.1Very high54 Ų5463.2 Ų63.229%0.28933%0.326SS..THydrogen-bonded Turntrans-89.712.5178-67.2-18.3000112.5I76 L77 Y78 Q82I76-N80 WeakPolarHBondContact CG2-ND2 3.43Å; I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.44Å; I76-N80 VanDerWaalsContact O-CG 3.25Å; I76-N80 PolarHBondContact O-N 2.56Å; I76-N80 PolarHBondContact O-ND2 3.18Å; L77-N80 PolarHBondContact O-N 3.08Å; Y78-N80 VanDerWaalsContact C-N 3.28Å; Y78-N80 PolarHBondContact O-N 3.49Å; N80-Q82 HydrophobicContact CB-CG 3.86Å; N80-Q82 PolarHBondContact O-N 2.85Å; N80-Q82 PolarHBondContact O-NE2 3.2Å
81H90.3Very high93.1Very high172 Ų17263.1 Ų63.180%0.79633%0.326SS*.THydrogen-bonded Turntrans50.141.9-179.8-53.9-70000112.3L77 Y78L77-H81 PolarHBondContact O-N 3.37Å; Y78-H81 PolarHBondContact O-N 3.28Å
82Q93.7Very high93.4Very high110 Ų11066 Ų6651%0.51433%0.334SS..  trans-83.2-17-179.1-62.2-62.6-74.900112.6L77 N80 H138L77-Q82 HydrophobicContact CB-CB 4.3Å; L77-Q82 HydrophobicContact CD2-CB 3.79Å; L77-Q82 HydrophobicContact CD2-CG 4.06Å; L77-Q82 WeakPolarHBondContact O-CB 3.46Å; L77-Q82 PolarHBondContact O-N 2.86Å; N80-Q82 HydrophobicContact CB-CG 3.86Å; N80-Q82 PolarHBondContact O-N 2.85Å; N80-Q82 PolarHBondContact O-NE2 3.2Å; Q82-H138 PolarHBondContact O-CE1 3.35Å
83F95.9Very high93.8Very high16 Ų1671 Ų717%0.0735%0.35CS..SBendtrans-79.8134.8177.4-64.3-51.7000111.6L77 Y78 E87 L88 V91 L134 H138L77-F83 HydrophobicContact CB-CD2 4.49Å; L77-F83 HydrophobicContact CB-CE1 4.01Å; L77-F83 HydrophobicContact CB-CE2 3.78Å; L77-F83 HydrophobicContact CB-CZ 3.5Å; L77-F83 HydrophobicContact CD1-CE1 4.01Å; L77-F83 HydrophobicContact CD1-CZ 3.9Å; L77-F83 HydrophobicContact CG-CZ 4.34Å; Y78-F83 HydrophobicContact CD2-CD2 4.14Å; Y78-F83 HydrophobicContact CD2-CE2 4.36Å; F83-E87 WeakPolarHBondContact CA-OE2 3.15Å; F83-E87 HydrophobicContact CB-CB 3.82Å; F83-E87 HydrophobicContact CD1-CB 3.89Å; F83-E87 HydrophobicContact CD1-CG 4.46Å; F83-E87 HydrophobicContact CG-CB 4.17Å; F83-L88 HydrophobicContact CB-CD2 3.92Å; F83-L88 HydrophobicContact CB-CG 4.02Å; F83-L88 HydrophobicContact CD2-CD2 4.48Å; F83-V91 HydrophobicContact CD2-CG2 4.08Å; F83-V91 HydrophobicContact CE2-CG2 4.18Å; F83-L134 HydrophobicContact CD1-CD1 3.74Å; F83-L134 HydrophobicContact CD2-CD1 4.43Å; F83-L134 HydrophobicContact CE1-CD1 3.46Å; F83-L134 VanDerWaalsContact CE1-CD1 3.46Å; F83-L134 HydrophobicContact CE1-CG 3.81Å; F83-L134 WeakPolarHBondContact CE1-O 3.37Å; F83-L134 HydrophobicContact CE2-CD1 4.18Å; F83-L134 HydrophobicContact CG-CD1 4.23Å; F83-L134 HydrophobicContact CZ-CD1 3.7Å; F83-L134 HydrophobicContact CZ-CD2 4.1Å; F83-L134 HydrophobicContact CZ-CG 3.81Å; F83-H138 AromaticContact CD1-NE2 3.81Å; F83-H138 AromaticContact CE1-CD2 3.93Å
84S96.7Very high94Very high49 Ų4969.7 Ų69.734%0.34335%0.345SS..  trans-68.7167.1166.762.80000111.6D86 E87 L88S84-D86 VanDerWaalsContact C-N 3.31Å; S84-D86 PolarHBondContact O-N 2.86Å; S84-E87 WeakPolarHBondContact CB-OE2 3.23Å; S84-E87 PolarHBondContact N-OE2 3.06Å; S84-E87 PolarHBondContact O-N 3.44Å; S84-E87 VanDerWaalsContact OG-CD 3.24Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å; S84-E87 PolarHBondContact OG-N 2.67Å; S84-E87 PolarHBondContact OG-OE2 3.07Å; S84-L88 WeakPolarHBondContact O-CG 3.27Å; S84-L88 PolarHBondContact O-N 3.28Å
85P96.7Very high94.2Very high105 Ų10571.8 Ų71.868%0.68235%0.353SS*.Hα-helixtrans-55.2-41.2176.5-2836.9000114.2L88 D89P85-L88 WeakPolarHBondContact O-CB 3.11Å; P85-L88 PolarHBondContact O-N 3.36Å; P85-D89 PolarHBondContact O-N 3.27Å
86D96.6Very high94.5Very high133 Ų13378.5 Ų78.571%0.71138%0.377SS*.Hα-helixtrans-68.7-35.8178.9-62.4-15.5000111.6S84 D89 T90S84-D86 VanDerWaalsContact C-N 3.31Å; S84-D86 PolarHBondContact O-N 2.86Å; D86-D89 PolarHBondContact O-N 2.96Å; D86-T90 PolarHBondContact O-N 3.18Å; D86-T90 VanDerWaalsContact O-N 3.09Å; D86-T90 PolarHBondContact O-OG1 3.21Å; D86-T90 VanDerWaalsContact O-OG1 3.08Å
87E97.5Very high94.9Very high38 Ų3878.8 Ų78.818%0.17838%0.377CS..Hα-helixtrans-69.5-33.9173.3-71.1165.3149.500111.5F83 S84 T90 V91 L134 H138F83-E87 WeakPolarHBondContact CA-OE2 3.15Å; F83-E87 HydrophobicContact CB-CB 3.82Å; F83-E87 HydrophobicContact CD1-CB 3.89Å; F83-E87 HydrophobicContact CD1-CG 4.46Å; F83-E87 HydrophobicContact CG-CB 4.17Å; S84-E87 WeakPolarHBondContact CB-OE2 3.23Å; S84-E87 PolarHBondContact N-OE2 3.06Å; S84-E87 PolarHBondContact O-N 3.44Å; S84-E87 VanDerWaalsContact OG-CD 3.24Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å; S84-E87 PolarHBondContact OG-N 2.67Å; S84-E87 PolarHBondContact OG-OE2 3.07Å; E87-T90 CarbonylContact O-C 3.52Å; E87-T90 WeakPolarHBondContact O-CA 3.36Å; E87-T90 VanDerWaalsContact O-CB 3.32Å; E87-T90 WeakPolarHBondContact O-CB 3.42Å; E87-T90 PolarHBondContact O-N 3.03Å; E87-T90 VanDerWaalsContact O-N 3.16Å; E87-V91 WeakPolarHBondContact O-CG2 3.42Å; E87-V91 PolarHBondContact O-N 2.85Å; E87-L134 HydrophobicContact CB-CD1 4.16Å; E87-L134 WeakPolarHBondContact O-CD1 3.15Å; E87-H138 IonicContact OE1-CD2 3.69Å; E87-H138 PolarHBondContact OE1-CD2 3Å; E87-H138 VanDerWaalsContact OE1-CD2 3.32Å; E87-H138 IonicContact OE1-CE1 2.83Å; E87-H138 IonicContact OE1-NE2 2.83Å; E87-H138 PolarHBondContact OE1-NE2 3.13Å; E87-H138 IonicContact OE2-CE1 3.93Å; E87-H138 IonicContact OE2-NE2 3.77Å; E87-H138 PolarHBondContact OE2-NE2 3.22Å; E87-H138 VanDerWaalsContact OE2-NE2 3.17Å
88L96.8Very high95.2Very high75 Ų7580.2 Ų80.239%0.39338%0.383SS..Hα-helixtrans-67.4-35.5173.2-70172.7000112.3Y78 F83 S84 P85 T90 V91 E92Y78-L88 HydrophobicContact CD2-CD2 4.3Å; Y78-L88 HydrophobicContact CE2-CD2 3.98Å; F83-L88 HydrophobicContact CB-CD2 3.92Å; F83-L88 HydrophobicContact CB-CG 4.02Å; F83-L88 HydrophobicContact CD2-CD2 4.48Å; S84-L88 WeakPolarHBondContact O-CG 3.27Å; S84-L88 PolarHBondContact O-N 3.28Å; P85-L88 WeakPolarHBondContact O-CB 3.11Å; P85-L88 PolarHBondContact O-N 3.36Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.4Å; L88-V91 WeakPolarHBondContact O-CB 3.36Å; L88-V91 PolarHBondContact O-N 2.86Å; L88-E92 PolarHBondContact O-N 2.99Å; L88-E92 VanDerWaalsContact O-N 3.09Å
89D97.5Very high95.5Very high97 Ų9776.7 Ų76.752%0.51937%0.372SS..Hα-helixtrans-61-41.8168.4-178.273.2000110.8P85 D86 V91 E92 R93P85-D89 PolarHBondContact O-N 3.27Å; D86-D89 PolarHBondContact O-N 2.96Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.49Å; D89-E92 PolarHBondContact O-N 3.19Å; D89-E92 VanDerWaalsContact O-N 3.15Å; D89-R93 WeakPolarHBondContact O-CG 3.14Å; D89-R93 PolarHBondContact O-N 3.24Å; D89-R93 WeakPolarHBondContact OD2-CD 3.35Å
90T97.8Very high96Very high15 Ų1575.9 Ų75.99%0.09237%0.373CS..Hα-helixtrans-62.2-36.3174.5-54.90000112.1D86 E87 L88 R93 F94 L130 T133 L134D86-T90 PolarHBondContact O-N 3.18Å; D86-T90 VanDerWaalsContact O-N 3.09Å; D86-T90 PolarHBondContact O-OG1 3.21Å; D86-T90 VanDerWaalsContact O-OG1 3.08Å; E87-T90 CarbonylContact O-C 3.52Å; E87-T90 WeakPolarHBondContact O-CA 3.36Å; E87-T90 VanDerWaalsContact O-CB 3.32Å; E87-T90 WeakPolarHBondContact O-CB 3.42Å; E87-T90 PolarHBondContact O-N 3.03Å; E87-T90 VanDerWaalsContact O-N 3.16Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.4Å; T90-R93 PolarHBondContact O-N 3.02Å; T90-F94 WeakPolarHBondContact O-CB 3.45Å; T90-F94 PolarHBondContact O-N 3.38Å; T90-L130 HydrophobicContact CG2-CD2 4.38Å; T90-T133 HydrophobicContact CG2-CG2 4.21Å; T90-L134 HydrophobicContact CG2-CB 4.06Å
91V96.1Very high96.5Very high11 Ų1173.5 Ų73.57%0.06736%0.361CS..Hα-helixtrans-59.8-47.7171.81720000111Y78 F83 E87 L88 D89 R93 F94 K95 L134Y78-V91 HydrophobicContact CD2-CG1 4.3Å; Y78-V91 HydrophobicContact CD2-CG2 4.42Å; Y78-V91 HydrophobicContact CE2-CG1 4.03Å; F83-V91 HydrophobicContact CD2-CG2 4.08Å; F83-V91 HydrophobicContact CE2-CG2 4.18Å; E87-V91 WeakPolarHBondContact O-CG2 3.42Å; E87-V91 PolarHBondContact O-N 2.85Å; L88-V91 WeakPolarHBondContact O-CB 3.36Å; L88-V91 PolarHBondContact O-N 2.86Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.49Å; V91-R93 PolarHBondContact O-N 3.15Å; V91-F94 WeakPolarHBondContact O-CB 3.38Å; V91-F94 PolarHBondContact O-N 3.37Å; V91-K95 HydrophobicContact CG1-CD 3.84Å; V91-K95 HydrophobicContact CG1-CG 4.39Å; V91-K95 WeakPolarHBondContact O-CG 3.32Å; V91-K95 PolarHBondContact O-N 3.3Å; V91-L134 HydrophobicContact CG2-CD1 3.52Å; V91-L134 HydrophobicContact CG2-CD2 3.87Å; V91-L134 HydrophobicContact CG2-CG 4.36Å
92E96.8Very high96.9Very high93 Ų9365.8 Ų65.844%0.43533%0.326SS..Hα-helixtrans-67.5-36.5-179.8-67.9-53.8137.200112.1L88 D89 K95 K96L88-E92 PolarHBondContact O-N 2.99Å; L88-E92 VanDerWaalsContact O-N 3.09Å; D89-E92 PolarHBondContact O-N 3.19Å; D89-E92 VanDerWaalsContact O-N 3.15Å; E92-K95 PolarHBondContact O-N 3.16Å; E92-K95 IonicContact OE1-NZ 2.72Å; E92-K95 PolarHBondContact OE1-NZ 3.15Å; E92-K95 IonicContact OE2-NZ 2.93Å; E92-K95 PolarHBondContact OE2-NZ 3.09Å; E92-K95 VanDerWaalsContact OE2-NZ 3.09Å; E92-K96 WeakPolarHBondContact O-CB 3.28Å; E92-K96 PolarHBondContact O-N 3.09Å
93R98.1Very high97Very high135 Ų13565.9 Ų65.951%0.50933%0.328SS..Hα-helixtrans-62.2-43.9171-69.7178.564.3-140.6-3.1111.9D89 T90 V91 K96 K97 L130D89-R93 WeakPolarHBondContact O-CG 3.14Å; D89-R93 PolarHBondContact O-N 3.24Å; D89-R93 WeakPolarHBondContact OD2-CD 3.35Å; T90-R93 PolarHBondContact O-N 3.02Å; V91-R93 PolarHBondContact O-N 3.15Å; R93-K96 PolarHBondContact O-N 3.03Å; R93-K97 WeakPolarHBondContact O-CB 3.37Å; R93-K97 PolarHBondContact O-N 2.9Å; R93-L130 HydrophobicContact CB-CD1 4.5Å; R93-L130 HydrophobicContact CB-CD2 4.08Å
94F97.6Very high97.1Very high36 Ų3666.3 Ų66.316%0.15833%0.333CS..Hα-helixtrans-60.8-48.7175.4173.4-98.4000111.3T90 V91 K96 K97 M98 C127 L130 L131T90-F94 WeakPolarHBondContact O-CB 3.45Å; T90-F94 PolarHBondContact O-N 3.38Å; V91-F94 WeakPolarHBondContact O-CB 3.38Å; V91-F94 PolarHBondContact O-N 3.37Å; F94-K96 PolarHBondContact O-N 3.39Å; F94-K97 PolarHBondContact O-N 3.09Å; F94-K97 VanDerWaalsContact O-N 3.15Å; F94-M98 HydrophobicContact CD1-CG 4.1Å; F94-M98 HydrophobicContact CD2-CG 4.11Å; F94-M98 HydrophobicContact CE1-CG 3.6Å; F94-M98 HydrophobicContact CE2-CG 3.61Å; F94-M98 HydrophobicContact CE2-SD 3.9Å; F94-M98 HydrophobicContact CG-CG 4.34Å; F94-M98 HydrophobicContact CZ-CG 3.33Å; F94-M98 HydrophobicContact CZ-SD 3.78Å; F94-M98 WeakPolarHBondContact O-CB 3.44Å; F94-M98 WeakPolarHBondContact O-CG 3.32Å; F94-M98 PolarHBondContact O-N 3.48Å; F94-C127 HydrophobicContact CE2-CB 4.23Å; F94-L130 HydrophobicContact CB-CB 4.27Å; F94-L130 HydrophobicContact CD2-CB 4.21Å; F94-L131 HydrophobicContact CD2-CB 4.4Å; F94-L131 HydrophobicContact CD2-CD1 4.12Å; F94-L131 HydrophobicContact CE1-CD1 4.4Å; F94-L131 HydrophobicContact CE2-CB 4.17Å; F94-L131 HydrophobicContact CE2-CD1 3.81Å; F94-L131 HydrophobicContact CE2-CD2 4.47Å; F94-L131 HydrophobicContact CE2-CG 4.39Å; F94-L131 HydrophobicContact CZ-CD1 3.96Å
95K95.6Very high97.2Very high74 Ų7464.6 Ų64.632%0.32232%0.321SS..Hα-helixtrans-58.3-46.5177.7-73167.567.7-158.50111.7V91 E92 K97 M98 N99V91-K95 HydrophobicContact CG1-CD 3.84Å; V91-K95 HydrophobicContact CG1-CG 4.39Å; V91-K95 WeakPolarHBondContact O-CG 3.32Å; V91-K95 PolarHBondContact O-N 3.3Å; E92-K95 PolarHBondContact O-N 3.16Å; E92-K95 IonicContact OE1-NZ 2.72Å; E92-K95 PolarHBondContact OE1-NZ 3.15Å; E92-K95 IonicContact OE2-NZ 2.93Å; E92-K95 PolarHBondContact OE2-NZ 3.09Å; E92-K95 VanDerWaalsContact OE2-NZ 3.09Å; K95-K97 VanDerWaalsContact C-N 3.31Å; K95-K97 PolarHBondContact O-N 3.04Å; K95-M98 PolarHBondContact O-N 3.27Å; K95-N99 WeakPolarHBondContact O-CB 3.45Å; K95-N99 PolarHBondContact O-N 2.73Å; K95-N99 PolarHBondContact O-ND2 2.83Å
96K97.1Very high97.2Very high161 Ų16159.8 Ų59.870%0.729%0.29SS*.Hα-helixtrans-60-42.2176.6-175177.3-179.9179.60111.8E92 R93 F94 Q100E92-K96 WeakPolarHBondContact O-CB 3.28Å; E92-K96 PolarHBondContact O-N 3.09Å; R93-K96 PolarHBondContact O-N 3.03Å; F94-K96 PolarHBondContact O-N 3.39Å; K96-Q100 WeakPolarHBondContact O-CB 3.35Å; K96-Q100 PolarHBondContact O-N 3.28Å
97K98.1Very high97.2Very high39 Ų3956.1 Ų56.117%0.1728%0.275CS..Hα-helixtrans-70.5-41.4-179.9-169.955.357.91690112.3R93 F94 K95 Q100 A101 L123 E126 C127 L130R93-K97 WeakPolarHBondContact O-CB 3.37Å; R93-K97 PolarHBondContact O-N 2.9Å; F94-K97 PolarHBondContact O-N 3.09Å; F94-K97 VanDerWaalsContact O-N 3.15Å; K95-K97 VanDerWaalsContact C-N 3.31Å; K95-K97 PolarHBondContact O-N 3.04Å; K97-Q100 WeakPolarHBondContact O-CB 3.5Å; K97-Q100 PolarHBondContact O-N 2.9Å; K97-A101 PolarHBondContact O-N 3.21Å; K97-L123 HydrophobicContact CD-CD2 3.77Å; K97-E126 HydrophobicContact CD-CB 4.1Å; K97-E126 WeakPolarHBondContact CD-OE2 3.2Å; K97-E126 WeakPolarHBondContact CE-OE2 3.34Å; K97-E126 HydrophobicContact CG-CB 4.04Å; K97-E126 IonicContact NZ-OE2 2.62Å; K97-E126 PolarHBondContact NZ-OE2 2.7Å; K97-C127 VanDerWaalsContact CG-SG 3.54Å; K97-L130 HydrophobicContact CB-CD1 3.81Å; K97-L130 HydrophobicContact CG-CD1 4.16Å
98M96.5Very high97.2Very high50 Ų5055.5 Ų55.525%0.24627%0.272CS..Hα-helixtrans-61-43.9173.2-76.5-61.4-54.700111.9F94 K95 Q100 A101 A102 C127F94-M98 HydrophobicContact CD1-CG 4.1Å; F94-M98 HydrophobicContact CD2-CG 4.11Å; F94-M98 HydrophobicContact CE1-CG 3.6Å; F94-M98 HydrophobicContact CE2-CG 3.61Å; F94-M98 HydrophobicContact CE2-SD 3.9Å; F94-M98 HydrophobicContact CG-CG 4.34Å; F94-M98 HydrophobicContact CZ-CG 3.33Å; F94-M98 HydrophobicContact CZ-SD 3.78Å; F94-M98 WeakPolarHBondContact O-CB 3.44Å; F94-M98 WeakPolarHBondContact O-CG 3.32Å; F94-M98 PolarHBondContact O-N 3.48Å; K95-M98 PolarHBondContact O-N 3.27Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 2.99Å; M98-A101 PolarHBondContact O-N 2.84Å; M98-A102 WeakPolarHBondContact O-CB 3.32Å; M98-A102 PolarHBondContact O-N 3.05Å; M98-C127 HydrophobicContact SD-CB 3.71Å; M98-C127 PolarHBondContact SD-SG 3.29Å
99N95.8Very high97.2Very high44 Ų4455.4 Ų55.424%0.23527%0.266CS..Hα-helixtrans-60.6-43.7174.2-86.3-90000111.6K95 A101 A102 M103 L185 L190K95-N99 WeakPolarHBondContact O-CB 3.45Å; K95-N99 PolarHBondContact O-N 2.73Å; K95-N99 PolarHBondContact O-ND2 2.83Å; N99-A101 PolarHBondContact O-N 3.5Å; N99-A102 PolarHBondContact O-N 2.9Å; N99-M103 WeakPolarHBondContact O-CB 3.08Å; N99-M103 VanDerWaalsContact O-CG 3.31Å; N99-M103 WeakPolarHBondContact O-CG 3.38Å; N99-M103 PolarHBondContact O-N 2.77Å; N99-L185 VanDerWaalsContact OD1-CD2 3.27Å; N99-L185 WeakPolarHBondContact OD1-CD2 3.49Å; N99-L190 PolarHBondContact ND2-O 3.43Å
100Q98Very high97.1Very high87 Ų8756.2 Ų56.241%0.40727%0.267SS..Hα-helixtrans-60.4-45.3174.5-174.8-178.25.500112.1K96 K97 M98 T104 L123K96-Q100 WeakPolarHBondContact O-CB 3.35Å; K96-Q100 PolarHBondContact O-N 3.28Å; K97-Q100 WeakPolarHBondContact O-CB 3.5Å; K97-Q100 PolarHBondContact O-N 2.9Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 2.99Å; Q100-T104 WeakPolarHBondContact O-CB 3.48Å; Q100-T104 PolarHBondContact O-N 3.49Å; Q100-T104 PolarHBondContact O-OG1 3.42Å; Q100-L123 HydrophobicContact CG-CD1 4.47Å; Q100-L123 HydrophobicContact CG-CD2 3.92Å
101A98Very high96.9Very high4 Ų459.2 Ų59.23%0.03329%0.285CS..Hα-helixtrans-61.7-43.5177.900000111.8K97 M98 N99 T104 A105 L123K97-A101 PolarHBondContact O-N 3.21Å; M98-A101 PolarHBondContact O-N 2.84Å; N99-A101 PolarHBondContact O-N 3.5Å; A101-T104 PolarHBondContact O-N 3.25Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.15Å; A101-L123 HydrophobicContact CB-CB 4.05Å
102A97.3Very high96.5Very high9 Ų966.1 Ų66.17%0.07432%0.316CS..Hα-helixtrans-63.7-49.4177.300000113M98 N99 T104 A105 V106 I181 L185 L190M98-A102 WeakPolarHBondContact O-CB 3.32Å; M98-A102 PolarHBondContact O-N 3.05Å; N99-A102 PolarHBondContact O-N 2.9Å; A102-T104 VanDerWaalsContact C-N 3.26Å; A102-T104 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 2.94Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.42Å; A102-I181 HydrophobicContact CB-CG2 3.59Å; A102-L185 HydrophobicContact CB-CD1 4.45Å; A102-L185 HydrophobicContact CB-CD2 4.44Å; A102-L190 HydrophobicContact CB-CD2 3.17Å; A102-L190 HydrophobicContact CB-CG 4.47Å
103M97.2Very high96Very high112 Ų11272.5 Ų72.555%0.55234%0.338SS*.Hα-helixtrans-59.6-39.7175.7-70.4177.169.800111.7N99 S107 L185N99-M103 WeakPolarHBondContact O-CB 3.08Å; N99-M103 VanDerWaalsContact O-CG 3.31Å; N99-M103 WeakPolarHBondContact O-CG 3.38Å; N99-M103 PolarHBondContact O-N 2.77Å; M103-S107 WeakPolarHBondContact O-CB 3.34Å; M103-S107 PolarHBondContact O-N 2.93Å; M103-S107 PolarHBondContact O-OG 3.35Å; M103-L185 HydrophobicContact CG-CD1 3.94Å; M103-L185 HydrophobicContact CG-CD2 4.16Å
104T97.9Very high95.8Very high26 Ų2668.8 Ų68.816%0.1633%0.331CS..Hα-helixtrans-65.5-45.1177.2-56.50000111Q100 A101 A102 V106 S107 F108 I119 L123Q100-T104 WeakPolarHBondContact O-CB 3.48Å; Q100-T104 PolarHBondContact O-N 3.49Å; Q100-T104 PolarHBondContact O-OG1 3.42Å; A101-T104 PolarHBondContact O-N 3.25Å; A102-T104 VanDerWaalsContact C-N 3.26Å; A102-T104 PolarHBondContact O-N 3.42Å; T104-V106 PolarHBondContact O-N 3.38Å; T104-S107 PolarHBondContact O-N 2.96Å; T104-F108 HydrophobicContact CG2-CD2 4.01Å; T104-F108 HydrophobicContact CG2-CE1 4.19Å; T104-F108 HydrophobicContact CG2-CE2 3.58Å; T104-F108 HydrophobicContact CG2-CZ 3.68Å; T104-F108 WeakPolarHBondContact O-CG 3.28Å; T104-F108 PolarHBondContact O-N 3.15Å; T104-I119 HydrophobicContact CG2-CG2 4.09Å; T104-L123 HydrophobicContact CG2-CD1 3.92Å; T104-L123 WeakPolarHBondContact OG1-CD1 3.4Å
105A97.4Very high95.8Very high12 Ų1270.1 Ų70.110%0.09934%0.336CS..Hα-helixtrans-60.4-44.8177.400000112.1A101 A102 Y109 L120 Y164A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.15Å; A102-A105 PolarHBondContact O-N 2.94Å; A105-Y109 PolarHBondContact O-N 3.22Å; A105-L120 HydrophobicContact CB-CD1 4.29Å; A105-Y164 WeakPolarHBondContact CA-OH 3.42Å; A105-Y164 WeakPolarHBondContact CB-OH 3.27Å; A105-Y164 PolarHBondContact O-OH 3.15Å
106V97.6Very high95.9Very high4 Ų469.5 Ų69.52%0.02434%0.337CS..Hα-helixtrans-61.4-47.7173.4170.40000111A102 T104 F108 Y109 E110 C178 I181 N182A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.42Å; T104-V106 PolarHBondContact O-N 3.38Å; V106-F108 VanDerWaalsContact C-N 3.29Å; V106-F108 PolarHBondContact O-N 3.33Å; V106-Y109 WeakPolarHBondContact O-CA 3.18Å; V106-Y109 WeakPolarHBondContact O-CB 3.39Å; V106-Y109 PolarHBondContact O-N 3.23Å; V106-E110 HydrophobicContact CG1-CG 3.96Å; V106-E110 WeakPolarHBondContact CG1-OE1 3.28Å; V106-E110 WeakPolarHBondContact O-CG 3.04Å; V106-E110 PolarHBondContact O-N 2.89Å; V106-C178 HydrophobicContact CG2-CB 4.25Å; V106-I181 HydrophobicContact CG2-CB 4.12Å; V106-I181 HydrophobicContact CG2-CG2 3.67Å; V106-N182 WeakPolarHBondContact CG1-ND2 3.28Å; V106-N182 VanDerWaalsContact CG1-OD1 3.29Å; V106-N182 WeakPolarHBondContact CG1-OD1 3.34Å
107S97.3Very high95.9Very high57 Ų5767 Ų6740%0.39932%0.323SS..Hα-helixtrans-60.1-40.2-177.9-59.30000112M103 T104 Y109 E110 V111M103-S107 WeakPolarHBondContact O-CB 3.34Å; M103-S107 PolarHBondContact O-N 2.93Å; M103-S107 PolarHBondContact O-OG 3.35Å; T104-S107 PolarHBondContact O-N 2.96Å; S107-Y109 PolarHBondContact O-N 3.01Å; S107-E110 PolarHBondContact O-N 3.39Å; S107-V111 WeakPolarHBondContact O-CB 3.29Å; S107-V111 PolarHBondContact O-N 3.21Å
108F97.6Very high95.9Very high25 Ų2569.9 Ų69.911%0.1134%0.34CS..Hα-helixtrans-66.4-25.4175.3-72-16.7000113.8T104 V106 T114 F115 D116 I119 L120 Y164T104-F108 HydrophobicContact CG2-CD2 4.01Å; T104-F108 HydrophobicContact CG2-CE1 4.19Å; T104-F108 HydrophobicContact CG2-CE2 3.58Å; T104-F108 HydrophobicContact CG2-CZ 3.68Å; T104-F108 WeakPolarHBondContact O-CG 3.28Å; T104-F108 PolarHBondContact O-N 3.15Å; V106-F108 VanDerWaalsContact C-N 3.29Å; V106-F108 PolarHBondContact O-N 3.33Å; F108-T114 VanDerWaalsContact CD1-O 3.28Å; F108-T114 WeakPolarHBondContact CD1-O 3.38Å; F108-T114 WeakPolarHBondContact CE1-O 3.36Å; F108-F115 HydrophobicContact CB-CB 4.29Å; F108-F115 HydrophobicContact CB-CD2 4.14Å; F108-F115 AromaticContact CD2-CD2 3.74Å; F108-F115 HydrophobicContact CD2-CD2 3.74Å; F108-F115 HydrophobicContact CD2-CE2 4.41Å; F108-F115 HydrophobicContact CE2-CD2 4.38Å; F108-F115 HydrophobicContact CG-CB 4.42Å; F108-F115 HydrophobicContact CG-CD2 4.14Å; F108-D116 VanDerWaalsContact CE2-O 3.25Å; F108-D116 WeakPolarHBondContact CE2-O 3.29Å; F108-D116 HydrophobicContact CZ-CB 4.09Å; F108-I119 HydrophobicContact CE2-CB 4.44Å; F108-I119 HydrophobicContact CZ-CB 4.12Å; F108-I119 HydrophobicContact CZ-CD1 4.34Å; F108-I119 HydrophobicContact CZ-CG2 4.19Å; F108-L120 HydrophobicContact CE2-CB 4.16Å; F108-Y164 HydrophobicContact CB-CD1 4.1Å; F108-Y164 HydrophobicContact CB-CE1 3.5Å; F108-Y164 VanDerWaalsContact CB-CE1 3.5Å
109Y96.4Very high96Very high73 Ų7371 Ų7129%0.28635%0.346SS..Hα-helixtrans-81.9-41.8173.8169.3-108.7000112.2A105 V106 S107 L174 R175 C178A105-Y109 PolarHBondContact O-N 3.22Å; V106-Y109 WeakPolarHBondContact O-CA 3.18Å; V106-Y109 WeakPolarHBondContact O-CB 3.39Å; V106-Y109 PolarHBondContact O-N 3.23Å; S107-Y109 PolarHBondContact O-N 3.01Å; Y109-L174 HydrophobicContact CD2-CD2 3.67Å; Y109-L174 HydrophobicContact CD2-CG 3.7Å; Y109-L174 HydrophobicContact CE2-CG 4.39Å; Y109-L174 HydrophobicContact CG-CD2 4.39Å; Y109-L174 HydrophobicContact CG-CG 4.21Å; Y109-R175 HydrophobicContact CE1-CB 4.49Å; Y109-R175 HydrophobicContact CE1-CG 4.4Å; Y109-R175 HydrophobicContact CE2-CB 4.24Å; Y109-R175 VanDerWaalsContact OH-CB 3.31Å; Y109-R175 WeakPolarHBondContact OH-CB 3.36Å; Y109-R175 WeakPolarHBondContact OH-CG 3.47Å; Y109-C178 WeakPolarHBondContact CB-SG 3.45Å; Y109-C178 HydrophobicContact CD1-CB 3.54Å; Y109-C178 HydrophobicContact CE1-CB 4.15Å; Y109-C178 HydrophobicContact CG-CB 4.07Å
110E94.4Very high96.1Very high114 Ų11469.2 Ų69.253%0.53334%0.337SS..Hα-helixtrans-80.5-26.5-173.7-69.1-178.1170.700113.5V106 S107 N182V106-E110 HydrophobicContact CG1-CG 3.96Å; V106-E110 WeakPolarHBondContact CG1-OE1 3.28Å; V106-E110 WeakPolarHBondContact O-CG 3.04Å; V106-E110 PolarHBondContact O-N 2.89Å; S107-E110 PolarHBondContact O-N 3.39Å; E110-N182 PolarHBondContact OE1-ND2 3.18Å
111V94.5Very high96.1Very high77 Ų7766.4 Ų66.447%0.46733%0.325SS..SBendtrans-112.9111.8-176.2-167.10000110.6S107 T114S107-V111 WeakPolarHBondContact O-CB 3.29Å; S107-V111 PolarHBondContact O-N 3.21Å; V111-T114 HydrophobicContact CB-CG2 3.78Å; V111-T114 HydrophobicContact CG1-CG2 3.44Å; V111-T114 VanDerWaalsContact CG1-CG2 3.44Å; V111-T114 PolarHBondContact O-N 3.42Å; V111-T114 PolarHBondContact O-OG1 3.46Å
112E86.6Confident96.2Very high156 Ų15671.7 Ų71.773%0.72935%0.35SS*.THydrogen-bonded Turntrans-54.9142.8179.3-63.9-176.1172.400112.3T114E112-T114 PolarHBondContact O-N 3.08Å; E112-T114 VanDerWaalsContact O-N 3.16Å
113Y87.5Confident96.2Very high227 Ų22771.8 Ų71.889%0.8935%0.349SS*.THydrogen-bonded Turntrans61.715.7176.5-47.9-73.5000116.2
114T93.7Very high96.3Very high57 Ų5767.7 Ų67.735%0.3533%0.329SS..  trans-98-14.2177.6630000114.6F108 V111 E112 D116F108-T114 VanDerWaalsContact CD1-O 3.28Å; F108-T114 WeakPolarHBondContact CD1-O 3.38Å; F108-T114 WeakPolarHBondContact CE1-O 3.36Å; V111-T114 HydrophobicContact CB-CG2 3.78Å; V111-T114 HydrophobicContact CG1-CG2 3.44Å; V111-T114 VanDerWaalsContact CG1-CG2 3.44Å; V111-T114 PolarHBondContact O-N 3.42Å; V111-T114 PolarHBondContact O-OG1 3.46Å; E112-T114 PolarHBondContact O-N 3.08Å; E112-T114 VanDerWaalsContact O-N 3.16Å; T114-D116 PolarHBondContact O-N 2.93Å
115F97.2Very high96.3Very high64 Ų6468.8 Ų68.828%0.28133%0.333SS..  trans-58.2119.6-176.9172.5-111000112.3F108 R117 L160 V161 Y164F108-F115 HydrophobicContact CB-CB 4.29Å; F108-F115 HydrophobicContact CB-CD2 4.14Å; F108-F115 AromaticContact CD2-CD2 3.74Å; F108-F115 HydrophobicContact CD2-CD2 3.74Å; F108-F115 HydrophobicContact CD2-CE2 4.41Å; F108-F115 HydrophobicContact CE2-CD2 4.38Å; F108-F115 HydrophobicContact CG-CB 4.42Å; F108-F115 HydrophobicContact CG-CD2 4.14Å; F115-R117 HydrophobicContact CE1-CB 4.08Å; F115-R117 HydrophobicContact CE2-CB 4.4Å; F115-R117 HydrophobicContact CZ-CB 3.65Å; F115-L160 HydrophobicContact CE2-CB 4.42Å; F115-L160 HydrophobicContact CZ-CB 4.01Å; F115-L160 WeakPolarHBondContact CZ-O 3.47Å; F115-V161 HydrophobicContact CE1-CG2 4.28Å; F115-Y164 HydrophobicContact CB-CD1 4.44Å; F115-Y164 HydrophobicContact CD1-CG 4.49Å; F115-Y164 AromaticContact CD2-CD1 3.64Å; F115-Y164 HydrophobicContact CD2-CD1 3.64Å; F115-Y164 AromaticContact CD2-CD2 3.76Å; F115-Y164 HydrophobicContact CD2-CD2 3.76Å; F115-Y164 HydrophobicContact CD2-CE1 4.1Å; F115-Y164 HydrophobicContact CD2-CE2 4.2Å; F115-Y164 AromaticContact CD2-CG 3.45Å; F115-Y164 HydrophobicContact CD2-CG 3.45Å; F115-Y164 VanDerWaalsContact CD2-CG 3.45Å; F115-Y164 HydrophobicContact CE2-CD1 4.15Å; F115-Y164 AromaticContact CE2-CD2 3.35Å; F115-Y164 HydrophobicContact CE2-CD2 3.35Å; F115-Y164 AromaticContact CE2-CE2 3.84Å; F115-Y164 HydrophobicContact CE2-CE2 3.84Å; F115-Y164 AromaticContact CE2-CG 3.53Å; F115-Y164 HydrophobicContact CE2-CG 3.53Å; F115-Y164 HydrophobicContact CG-CD1 4.14Å; F115-Y164 AromaticContact CG-CG 3.97Å; F115-Y164 HydrophobicContact CG-CG 3.97Å; F115-Y164 AromaticContact CZ-CD2 3.94Å; F115-Y164 HydrophobicContact CZ-CD2 3.94Å; F115-Y164 HydrophobicContact CZ-CG 4.09Å
116D97.6Very high96.4Very high61 Ų6171.3 Ų71.333%0.32634%0.343SS..  trans-124.7109.1168.4-172.3-24.4000109.5F108 T114 N118 I119 L120F108-D116 VanDerWaalsContact CE2-O 3.25Å; F108-D116 WeakPolarHBondContact CE2-O 3.29Å; F108-D116 HydrophobicContact CZ-CB 4.09Å; T114-D116 PolarHBondContact O-N 2.93Å; D116-N118 PolarHBondContact O-N 3.21Å; D116-N118 WeakPolarHBondContact OD1-CB 3.5Å; D116-N118 PolarHBondContact OD1-N 2.93Å; D116-N118 PolarHBondContact OD1-ND2 3.26Å; D116-I119 HydrophobicContact CB-CB 4.38Å; D116-I119 HydrophobicContact CB-CD1 3.9Å; D116-I119 HydrophobicContact CB-CG1 4.02Å; D116-I119 PolarHBondContact O-N 2.92Å; D116-L120 PolarHBondContact O-N 3.49Å
117R97.2Very high96.4Very high109 Ų10971.1 Ų71.141%0.41134%0.342SS..Hα-helixtrans-56.6-36.6178.973.6-175.1-177.5-165.1-3.3112.3F115 I119 L120 V121 V161F115-R117 HydrophobicContact CE1-CB 4.08Å; F115-R117 HydrophobicContact CE2-CB 4.4Å; F115-R117 HydrophobicContact CZ-CB 3.65Å; R117-I119 VanDerWaalsContact C-N 3.35Å; R117-I119 PolarHBondContact O-N 3.24Å; R117-L120 PolarHBondContact O-N 2.94Å; R117-V121 WeakPolarHBondContact O-CB 3.42Å; R117-V121 VanDerWaalsContact O-CG2 3.23Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.43Å; R117-V161 HydrophobicContact CB-CG2 4.43Å
118N98.3Very high96.5Very high99 Ų9970.8 Ų70.853%0.52933%0.332SS..Hα-helixtrans-68.2-39.4-172.5-55.9-54000110.8D116 V121 E122D116-N118 PolarHBondContact O-N 3.21Å; D116-N118 WeakPolarHBondContact OD1-CB 3.5Å; D116-N118 PolarHBondContact OD1-N 2.93Å; D116-N118 PolarHBondContact OD1-ND2 3.26Å; N118-V121 PolarHBondContact O-N 3.27Å; N118-E122 WeakPolarHBondContact O-CB 3.49Å; N118-E122 PolarHBondContact O-N 2.9Å
119I98.3Very high96.6Very high74 Ų7473.2 Ų73.238%0.37935%0.346SS..Hα-helixtrans-60.6-47.4175.7-63.5-179.6000110.1T104 F108 D116 R117 E122 L123T104-I119 HydrophobicContact CG2-CG2 4.09Å; F108-I119 HydrophobicContact CE2-CB 4.44Å; F108-I119 HydrophobicContact CZ-CB 4.12Å; F108-I119 HydrophobicContact CZ-CD1 4.34Å; F108-I119 HydrophobicContact CZ-CG2 4.19Å; D116-I119 HydrophobicContact CB-CB 4.38Å; D116-I119 HydrophobicContact CB-CD1 3.9Å; D116-I119 HydrophobicContact CB-CG1 4.02Å; D116-I119 PolarHBondContact O-N 2.92Å; R117-I119 VanDerWaalsContact C-N 3.35Å; R117-I119 PolarHBondContact O-N 3.24Å; I119-E122 PolarHBondContact O-N 3.18Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 3.32Å
120L97.9Very high96.7Very high6 Ų670.6 Ų70.63%0.03134%0.337CS..Hα-helixtrans-70.9-36.8-178.4-171.557.7000112.3A105 F108 D116 R117 L124 L160 Y164A105-L120 HydrophobicContact CB-CD1 4.29Å; F108-L120 HydrophobicContact CE2-CB 4.16Å; D116-L120 PolarHBondContact O-N 3.49Å; R117-L120 PolarHBondContact O-N 2.94Å; L120-L124 HydrophobicContact CD1-CD1 4.45Å; L120-L124 HydrophobicContact CD1-CG 4.42Å; L120-L124 HydrophobicContact CG-CD1 4.15Å; L120-L124 WeakPolarHBondContact O-CB 3.4Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.44Å; L120-L124 PolarHBondContact O-N 3.38Å; L120-L160 HydrophobicContact CB-CD1 4.1Å; L120-L160 HydrophobicContact CD2-CD1 4.13Å; L120-L160 HydrophobicContact CD2-CD2 3.77Å; L120-L160 HydrophobicContact CG-CD1 4.06Å; L120-L160 HydrophobicContact CG-CD2 4.4Å; L120-Y164 HydrophobicContact CD2-CE2 3.83Å
121V98.7Very high96.8Very high28 Ų2865.4 Ų65.417%0.1731%0.313CS..Hα-helixtrans-57.6-51.3171.1168.30000110.3R117 N118 L123 L124 L125 A155 L160R117-V121 WeakPolarHBondContact O-CB 3.42Å; R117-V121 VanDerWaalsContact O-CG2 3.23Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.43Å; N118-V121 PolarHBondContact O-N 3.27Å; V121-L123 PolarHBondContact O-N 3.46Å; V121-L124 PolarHBondContact O-N 3.01Å; V121-L125 HydrophobicContact CG1-CD1 3.81Å; V121-L125 HydrophobicContact CG1-CG 4.26Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 2.83Å; V121-A155 HydrophobicContact CG1-CB 4.32Å; V121-A155 VanDerWaalsContact CG2-O 3.29Å; V121-A155 WeakPolarHBondContact CG2-O 3.27Å; V121-L160 HydrophobicContact CG2-CD1 3.66Å
122E98.8Very high97Very high116 Ų11663.1 Ų63.154%0.54230%0.297SS..Hα-helixtrans-57.8-49.7-179.6-176.9175.9-170.800111.4N118 I119 L124 L125 E126N118-E122 WeakPolarHBondContact O-CB 3.49Å; N118-E122 PolarHBondContact O-N 2.9Å; I119-E122 PolarHBondContact O-N 3.18Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.06Å; E122-L125 PolarHBondContact O-N 3.31Å; E122-E126 WeakPolarHBondContact O-CG 3.32Å; E122-E126 PolarHBondContact O-N 3.31Å
123L98.6Very high97.6Very high11 Ų1159.4 Ų59.46%0.05829%0.285CS..Hα-helixtrans-58.8-42.5178.6-71.3170.8000112.6K97 Q100 A101 T104 I119 V121 E126 C127K97-L123 HydrophobicContact CD-CD2 3.77Å; Q100-L123 HydrophobicContact CG-CD1 4.47Å; Q100-L123 HydrophobicContact CG-CD2 3.92Å; A101-L123 HydrophobicContact CB-CB 4.05Å; T104-L123 HydrophobicContact CG2-CD1 3.92Å; T104-L123 WeakPolarHBondContact OG1-CD1 3.4Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 3.32Å; V121-L123 PolarHBondContact O-N 3.46Å; L123-E126 PolarHBondContact O-N 2.93Å; L123-C127 PolarHBondContact O-N 2.89Å; L123-C127 PolarHBondContact O-SG 2.86Å
124L98.6Very high98Very high25 Ų2548.6 Ų48.613%0.13124%0.243CC..Hα-helixtrans-68.1-37.6178.2-70.9170.8000112L120 V121 E122 C127 R128 F151 F154 A155L120-L124 HydrophobicContact CD1-CD1 4.45Å; L120-L124 HydrophobicContact CD1-CG 4.42Å; L120-L124 HydrophobicContact CG-CD1 4.15Å; L120-L124 WeakPolarHBondContact O-CB 3.4Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.44Å; L120-L124 PolarHBondContact O-N 3.38Å; V121-L124 PolarHBondContact O-N 3.01Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.06Å; L124-C127 WeakPolarHBondContact O-CB 3.46Å; L124-C127 PolarHBondContact O-N 3.1Å; L124-R128 PolarHBondContact O-N 2.96Å; L124-F151 HydrophobicContact CB-CD1 4.39Å; L124-F151 WeakPolarHBondContact O-CD1 3.41Å; L124-F151 WeakPolarHBondContact O-CE1 3.34Å; L124-F154 HydrophobicContact CD1-CB 4.36Å; L124-F154 VanDerWaalsContact CD1-O 3.23Å; L124-F154 WeakPolarHBondContact CD1-O 3.17Å; L124-A155 HydrophobicContact CB-CB 3.82Å; L124-A155 HydrophobicContact CD1-CB 4.25Å
125L98.8Very high98.1Very high49 Ų4945.9 Ų45.926%0.25723%0.226SC..Hα-helixtrans-70.5-35.2176-66.5-178.6000112.1V121 E122 C127 R128 D129 A155V121-L125 HydrophobicContact CG1-CD1 3.81Å; V121-L125 HydrophobicContact CG1-CG 4.26Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 2.83Å; E122-L125 PolarHBondContact O-N 3.31Å; L125-C127 VanDerWaalsContact C-N 3.34Å; L125-R128 VanDerWaalsContact O-CB 3.28Å; L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 PolarHBondContact O-N 2.83Å; L125-D129 VanDerWaalsContact O-CG 3.27Å; L125-D129 PolarHBondContact O-N 3.05Å; L125-A155 HydrophobicContact CD2-CB 3.8Å; L125-A155 HydrophobicContact CG-CB 3.99Å
126E98.7Very high98.1Very high66 Ų6649.9 Ų49.931%0.30825%0.246SC..Hα-helixtrans-63.7-40.4171.1-71.9-177.5176.200111.7K97 E122 L123 R128 D129 L130K97-E126 HydrophobicContact CD-CB 4.1Å; K97-E126 WeakPolarHBondContact CD-OE2 3.2Å; K97-E126 WeakPolarHBondContact CE-OE2 3.34Å; K97-E126 HydrophobicContact CG-CB 4.04Å; K97-E126 IonicContact NZ-OE2 2.62Å; K97-E126 PolarHBondContact NZ-OE2 2.7Å; E122-E126 WeakPolarHBondContact O-CG 3.32Å; E122-E126 PolarHBondContact O-N 3.31Å; L123-E126 PolarHBondContact O-N 2.93Å; E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 PolarHBondContact O-N 3.38Å; E126-D129 PolarHBondContact O-N 3.38Å; E126-L130 WeakPolarHBondContact O-CB 3.46Å; E126-L130 WeakPolarHBondContact O-CG 3.48Å; E126-L130 PolarHBondContact O-N 2.98Å
127C98.6Very high98Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-59-43.5171-71.60000111.9F94 K97 M98 L123 L124 L125 L131 F151F94-C127 HydrophobicContact CE2-CB 4.23Å; K97-C127 VanDerWaalsContact CG-SG 3.54Å; M98-C127 HydrophobicContact SD-CB 3.71Å; M98-C127 PolarHBondContact SD-SG 3.29Å; L123-C127 PolarHBondContact O-N 2.89Å; L123-C127 PolarHBondContact O-SG 2.86Å; L124-C127 WeakPolarHBondContact O-CB 3.46Å; L124-C127 PolarHBondContact O-N 3.1Å; L125-C127 VanDerWaalsContact C-N 3.34Å; C127-L131 WeakPolarHBondContact O-CB 3.43Å; C127-L131 PolarHBondContact O-N 3.5Å; C127-F151 HydrophobicContact CB-CD1 4.5Å; C127-F151 HydrophobicContact CB-CE1 3.57Å; C127-F151 HydrophobicContact CB-CZ 3.95Å
128R98.7Very high97.8Very high49 Ų4948 Ų4819%0.18526%0.258CS..Hα-helixtrans-57.5-49.6176.8-174-162.462.9-168.1-3.5111.1L124 L125 E126 L131 H132 I147 F151 N152L124-R128 PolarHBondContact O-N 2.96Å; L125-R128 VanDerWaalsContact O-CB 3.28Å; L125-R128 WeakPolarHBondContact O-CB 3.45Å; L125-R128 PolarHBondContact O-N 2.83Å; E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 PolarHBondContact O-N 3.38Å; R128-L131 WeakPolarHBondContact O-CB 3.41Å; R128-L131 PolarHBondContact O-N 3Å; R128-L131 VanDerWaalsContact O-N 3.15Å; R128-H132 PolarHBondContact O-CD2 2.93Å; R128-H132 VanDerWaalsContact O-CD2 3.26Å; R128-H132 PolarHBondContact O-N 3.28Å; R128-I147 HydrophobicContact CG-CG2 3.71Å; R128-F151 HydrophobicContact CB-CB 3.65Å; R128-F151 HydrophobicContact CB-CD1 3.91Å; R128-F151 HydrophobicContact CB-CD2 3.81Å; R128-F151 HydrophobicContact CB-CE2 4.41Å; R128-F151 HydrophobicContact CB-CG 3.51Å; R128-F151 HydrophobicContact CG-CB 3.62Å; R128-F151 HydrophobicContact CG-CD2 3.86Å; R128-F151 HydrophobicContact CG-CG 3.83Å; R128-N152 PolarHBondContact NH1-OD1 3.37Å
129D98.7Very high97.7Very high77 Ų7744.7 Ų44.741%0.41224%0.24SC..Hα-helixtrans-68.1-42-173.8-66.8-7.5000111.1L125 E126 L131 H132 T133L125-D129 VanDerWaalsContact O-CG 3.27Å; L125-D129 PolarHBondContact O-N 3.05Å; E126-D129 PolarHBondContact O-N 3.38Å; D129-L131 VanDerWaalsContact C-N 3.26Å; D129-L131 PolarHBondContact O-N 2.94Å; D129-H132 PolarHBondContact O-N 3.07Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 2.95Å
130L98.6Very high97.6Very high17 Ų1745.2 Ų45.29%0.08925%0.247CC..Hα-helixtrans-58.2-39.9171.2-73.7168.3000111.9T90 R93 F94 K97 E126 T133 L134T90-L130 HydrophobicContact CG2-CD2 4.38Å; R93-L130 HydrophobicContact CB-CD1 4.5Å; R93-L130 HydrophobicContact CB-CD2 4.08Å; F94-L130 HydrophobicContact CB-CB 4.27Å; F94-L130 HydrophobicContact CD2-CB 4.21Å; K97-L130 HydrophobicContact CB-CD1 3.81Å; K97-L130 HydrophobicContact CG-CD1 4.16Å; E126-L130 WeakPolarHBondContact O-CB 3.46Å; E126-L130 WeakPolarHBondContact O-CG 3.48Å; E126-L130 PolarHBondContact O-N 2.98Å; L130-T133 PolarHBondContact O-N 3.25Å; L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 PolarHBondContact O-N 3.34Å
131L97.8Very high97.6Very high5 Ų548.9 Ų48.93%0.02628%0.278CS..Hα-helixtrans-69.4-36179.2-157.563.2000112.5I70 I74 F94 C127 R128 D129 L134 V135 I147 F151I70-L131 HydrophobicContact CG2-CD2 3.71Å; I74-L131 HydrophobicContact CD1-CD1 3.26Å; I74-L131 HydrophobicContact CD1-CD2 3.99Å; I74-L131 HydrophobicContact CD1-CG 3.94Å; I74-L131 HydrophobicContact CG1-CD1 4.28Å; F94-L131 HydrophobicContact CD2-CB 4.4Å; F94-L131 HydrophobicContact CD2-CD1 4.12Å; F94-L131 HydrophobicContact CE1-CD1 4.4Å; F94-L131 HydrophobicContact CE2-CB 4.17Å; F94-L131 HydrophobicContact CE2-CD1 3.81Å; F94-L131 HydrophobicContact CE2-CD2 4.47Å; F94-L131 HydrophobicContact CE2-CG 4.39Å; F94-L131 HydrophobicContact CZ-CD1 3.96Å; C127-L131 WeakPolarHBondContact O-CB 3.43Å; C127-L131 PolarHBondContact O-N 3.5Å; R128-L131 WeakPolarHBondContact O-CB 3.41Å; R128-L131 PolarHBondContact O-N 3Å; R128-L131 VanDerWaalsContact O-N 3.15Å; D129-L131 VanDerWaalsContact C-N 3.26Å; D129-L131 PolarHBondContact O-N 2.94Å; L131-L134 HydrophobicContact CD1-CD2 4.21Å; L131-L134 PolarHBondContact O-N 3.14Å; L131-V135 WeakPolarHBondContact O-CG1 3.46Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.43Å; L131-V135 PolarHBondContact O-N 3.14Å; L131-I147 HydrophobicContact CB-CG2 4.41Å; L131-I147 HydrophobicContact CD2-CD1 4.13Å; L131-I147 HydrophobicContact CD2-CG1 4.02Å; L131-I147 HydrophobicContact CD2-CG2 4.23Å; L131-I147 HydrophobicContact CG-CD1 4.04Å; L131-I147 HydrophobicContact CG-CG1 4.48Å; L131-F151 HydrophobicContact CD2-CE2 3.79Å; L131-F151 HydrophobicContact CD2-CZ 4.42Å
132H98.6Very high97.6Very high30 Ų3055.7 Ų55.714%0.13930%0.301CS..Hα-helixtrans-62.9-46.9171.7-78.7-60000111.9R128 D129 L134 V135 E136 H144 I147 D148R128-H132 PolarHBondContact O-CD2 2.93Å; R128-H132 VanDerWaalsContact O-CD2 3.26Å; R128-H132 PolarHBondContact O-N 3.28Å; D129-H132 PolarHBondContact O-N 3.07Å; H132-L134 VanDerWaalsContact C-N 3.33Å; H132-L134 PolarHBondContact O-N 3.39Å; H132-V135 PolarHBondContact O-N 3.46Å; H132-E136 PolarHBondContact O-N 2.96Å; H132-E136 VanDerWaalsContact O-N 3.1Å; H132-H144 AromaticContact CE1-ND1 3.73Å; H132-H144 PolarHBondContact CE1-O 2.94Å; H132-H144 AromaticContact CG-ND1 3.87Å; H132-H144 AromaticContact ND1-CE1 3.76Å; H132-H144 AromaticContact ND1-CG 3.62Å; H132-H144 AromaticContact ND1-ND1 2.9Å; H132-H144 PolarHBondContact ND1-ND1 3.27Å; H132-I147 WeakPolarHBondContact NE2-CG2 3.38Å; H132-D148 IonicContact CE1-OD1 3.88Å; H132-D148 IonicContact CE1-OD2 2.6Å; H132-D148 IonicContact NE2-OD1 3.9Å; H132-D148 PolarHBondContact NE2-OD1 3.17Å; H132-D148 VanDerWaalsContact NE2-OD1 3.15Å; H132-D148 IonicContact NE2-OD2 3.09Å
133T98Very high97.5Very high77 Ų7750.2 Ų50.247%0.47228%0.276SS..Hα-helixtrans-58.2-46.1175.7-58.70000111.2T90 D129 L130 V135T90-T133 HydrophobicContact CG2-CG2 4.21Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 2.95Å; L130-T133 PolarHBondContact O-N 3.25Å; T133-V135 PolarHBondContact O-N 2.99Å
134L97.2Very high97.5Very high1 Ų151.7 Ų51.71%0.00528%0.282CS..Hα-helixtrans-59.2-33.8-178.5178.659.8000113.2I74 F83 E87 T90 V91 L130 L131 H132I74-L134 HydrophobicContact CG2-CD2 4.27Å; F83-L134 HydrophobicContact CD1-CD1 3.74Å; F83-L134 HydrophobicContact CD2-CD1 4.43Å; F83-L134 HydrophobicContact CE1-CD1 3.46Å; F83-L134 VanDerWaalsContact CE1-CD1 3.46Å; F83-L134 HydrophobicContact CE1-CG 3.81Å; F83-L134 WeakPolarHBondContact CE1-O 3.37Å; F83-L134 HydrophobicContact CE2-CD1 4.18Å; F83-L134 HydrophobicContact CG-CD1 4.23Å; F83-L134 HydrophobicContact CZ-CD1 3.7Å; F83-L134 HydrophobicContact CZ-CD2 4.1Å; F83-L134 HydrophobicContact CZ-CG 3.81Å; E87-L134 HydrophobicContact CB-CD1 4.16Å; E87-L134 WeakPolarHBondContact O-CD1 3.15Å; T90-L134 HydrophobicContact CG2-CB 4.06Å; V91-L134 HydrophobicContact CG2-CD1 3.52Å; V91-L134 HydrophobicContact CG2-CD2 3.87Å; V91-L134 HydrophobicContact CG2-CG 4.36Å; L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 PolarHBondContact O-N 3.34Å; L131-L134 HydrophobicContact CD1-CD2 4.21Å; L131-L134 PolarHBondContact O-N 3.14Å; H132-L134 VanDerWaalsContact C-N 3.33Å; H132-L134 PolarHBondContact O-N 3.39Å
135V96.3Very high97.5Very high0 Ų053.2 Ų53.20%030%0.298CS..Hα-helixtrans-107.5-0.2-171-53.90000114.7I74 L131 H132 T133 G137 H138 L139 I147I74-V135 HydrophobicContact CG1-CG1 4.11Å; L131-V135 WeakPolarHBondContact O-CG1 3.46Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.43Å; L131-V135 PolarHBondContact O-N 3.14Å; H132-V135 PolarHBondContact O-N 3.46Å; T133-V135 PolarHBondContact O-N 2.99Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 3.12Å; V135-H138 PolarHBondContact O-N 2.91Å; V135-L139 HydrophobicContact CB-CB 4.07Å; V135-L139 HydrophobicContact CB-CD1 3.64Å; V135-L139 HydrophobicContact CB-CG 3.79Å; V135-L139 HydrophobicContact CG1-CD1 3.73Å; V135-L139 HydrophobicContact CG1-CG 4.29Å; V135-L139 HydrophobicContact CG2-CB 4.26Å; V135-L139 HydrophobicContact CG2-CD1 4.06Å; V135-L139 HydrophobicContact CG2-CG 4.41Å; V135-L139 PolarHBondContact O-N 3.41Å; V135-I147 HydrophobicContact CG2-CD1 3.72Å
136E95.9Very high97.5Very high147 Ų14752 Ų5269%0.68729%0.29SS*.THydrogen-bonded Turntrans-54.1-46.2-174.2-176.6173.9-158.700112.6H132 H138H132-E136 PolarHBondContact O-N 2.96Å; H132-E136 VanDerWaalsContact O-N 3.1Å; E136-H138 VanDerWaalsContact C-N 3.33Å; E136-H138 PolarHBondContact O-N 3.33Å
137G94.9Very high97.5Very high70 Ų7049 Ų4972%0.72228%0.276SS*.THydrogen-bonded Turntrans-80.3-8178.700000115.2V135V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 3.12Å
138H94.8Very high97.5Very high60 Ų6051.6 Ų51.628%0.27829%0.29SS..THydrogen-bonded Turntrans-116.5-33.1-166.7-64.9-76.8000113.8L77 Q82 F83 E87 V135 E136L77-H138 HydrophobicContact CD1-CB 3.64Å; L77-H138 HydrophobicContact CD2-CB 3.97Å; L77-H138 HydrophobicContact CG-CB 4.48Å; Q82-H138 PolarHBondContact O-CE1 3.35Å; F83-H138 AromaticContact CD1-NE2 3.81Å; F83-H138 AromaticContact CE1-CD2 3.93Å; E87-H138 IonicContact OE1-CD2 3.69Å; E87-H138 PolarHBondContact OE1-CD2 3Å; E87-H138 VanDerWaalsContact OE1-CD2 3.32Å; E87-H138 IonicContact OE1-CE1 2.83Å; E87-H138 IonicContact OE1-NE2 2.83Å; E87-H138 PolarHBondContact OE1-NE2 3.13Å; E87-H138 IonicContact OE2-CE1 3.93Å; E87-H138 IonicContact OE2-NE2 3.77Å; E87-H138 PolarHBondContact OE2-NE2 3.22Å; E87-H138 VanDerWaalsContact OE2-NE2 3.17Å; V135-H138 PolarHBondContact O-N 2.91Å; E136-H138 VanDerWaalsContact C-N 3.33Å; E136-H138 PolarHBondContact O-N 3.33Å
139L95.2Very high97.5Very high30 Ų3051 Ų5116%0.15729%0.289CS..SBendtrans-119.9153.8-168-61.6-170.4000112.5K73 L77 V135K73-L139 HydrophobicContact CB-CD1 4.06Å; K73-L139 HydrophobicContact CB-CD2 4.25Å; K73-L139 HydrophobicContact CD-CD1 3.99Å; K73-L139 HydrophobicContact CD-CD2 3.97Å; K73-L139 HydrophobicContact CG-CD2 4.43Å; L77-L139 HydrophobicContact CD1-CD2 4.1Å; L77-L139 HydrophobicContact CD1-CG 4.22Å; V135-L139 HydrophobicContact CB-CB 4.07Å; V135-L139 HydrophobicContact CB-CD1 3.64Å; V135-L139 HydrophobicContact CB-CG 3.79Å; V135-L139 HydrophobicContact CG1-CD1 3.73Å; V135-L139 HydrophobicContact CG1-CG 4.29Å; V135-L139 HydrophobicContact CG2-CB 4.26Å; V135-L139 HydrophobicContact CG2-CD1 4.06Å; V135-L139 HydrophobicContact CG2-CG 4.41Å; V135-L139 PolarHBondContact O-N 3.41Å
140T97.1Very high97.5Very high86 Ų8647.8 Ų47.853%0.52827%0.272SS..  trans-77.5162.9-178.663.20000112.2R142 S143 H144T140-R142 PolarHBondContact O-N 2.79Å; T140-S143 WeakPolarHBondContact O-CA 3.46Å; T140-S143 VanDerWaalsContact O-CB 3.3Å; T140-S143 WeakPolarHBondContact O-CB 3.47Å; T140-S143 PolarHBondContact O-N 3.26Å; T140-S143 PolarHBondContact O-OG 3.05Å; T140-H144 PolarHBondContact O-N 3.23Å
141A97.6Very high97.5Very high82 Ų8247.9 Ų47.968%0.67827%0.272SS*.Hα-helixtrans-49.7-32.7171.700000113.6S143 H144 A145A141-S143 PolarHBondContact O-N 3.36Å; A141-H144 PolarHBondContact O-N 3.34Å; A141-A145 WeakPolarHBondContact O-CB 3.35Å; A141-A145 PolarHBondContact O-N 3.34Å
142R97.6Very high97.6Very high172 Ų17251.5 Ų51.565%0.64929%0.291SS*.Hα-helixtrans-61.6-29.5174-173.9177-175.6-170.73.8112.9T140 R146T140-R142 PolarHBondContact O-N 2.79Å; R142-R146 VanDerWaalsContact NE-NH2 3.14Å; R142-R146 VanDerWaalsContact O-CG 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.47Å; R142-R146 PolarHBondContact O-N 3.14Å
143S97.5Very high97.6Very high1 Ų150.9 Ų50.91%0.00729%0.289CS..Hα-helixtrans-79.5-41177-40.30000110.7K73 T140 A141 A145 R146 I147K73-S143 PolarHBondContact NZ-OG 3.06Å; T140-S143 WeakPolarHBondContact O-CA 3.46Å; T140-S143 VanDerWaalsContact O-CB 3.3Å; T140-S143 WeakPolarHBondContact O-CB 3.47Å; T140-S143 PolarHBondContact O-N 3.26Å; T140-S143 PolarHBondContact O-OG 3.05Å; A141-S143 PolarHBondContact O-N 3.36Å; S143-A145 PolarHBondContact O-N 3.02Å; S143-R146 WeakPolarHBondContact O-CB 3.34Å; S143-R146 PolarHBondContact O-N 3.48Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.89Å
144H98.5Very high97.6Very high42 Ų4248.4 Ų48.419%0.19427%0.271CS..Hα-helixtrans-57.3-48.7171.4-72.6-105.1000110.9H132 T140 A141 R146 I147 D148H132-H144 AromaticContact CE1-ND1 3.73Å; H132-H144 PolarHBondContact CE1-O 2.94Å; H132-H144 AromaticContact CG-ND1 3.87Å; H132-H144 AromaticContact ND1-CE1 3.76Å; H132-H144 AromaticContact ND1-CG 3.62Å; H132-H144 AromaticContact ND1-ND1 2.9Å; H132-H144 PolarHBondContact ND1-ND1 3.27Å; T140-H144 PolarHBondContact O-N 3.23Å; A141-H144 PolarHBondContact O-N 3.34Å; H144-R146 PolarHBondContact O-N 3.26Å; H144-I147 WeakPolarHBondContact O-CA 3.49Å; H144-I147 WeakPolarHBondContact O-CB 3.44Å; H144-I147 PolarHBondContact O-N 3.48Å; H144-D148 PolarHBondContact O-N 3.01Å
145A98.6Very high97.7Very high56 Ų5648.8 Ų48.846%0.46327%0.274SS..Hα-helixtrans-59.4-26.3176.200000113.9A141 S143 H149A141-A145 WeakPolarHBondContact O-CB 3.35Å; A141-A145 PolarHBondContact O-N 3.34Å; S143-A145 PolarHBondContact O-N 3.02Å; A145-H149 WeakPolarHBondContact O-CB 3.25Å; A145-H149 PolarHBondContact O-N 2.72Å
146R98.6Very high97.8Very high25 Ų2551.4 Ų51.49%0.09429%0.288CS..Hα-helixtrans-76.1-39.3172.4-70.4176.4-167.4156.94.3111.6D66 I70 R142 S143 H144 D148 H149 V150D66-R146 HydrophobicContact CB-CB 4.02Å; D66-R146 HydrophobicContact CB-CG 4.08Å; D66-R146 WeakPolarHBondContact OD1-CD 3.09Å; D66-R146 WeakPolarHBondContact OD1-CG 3.39Å; D66-R146 IonicContact OD1-NE 3.59Å; I70-R146 HydrophobicContact CD1-CB 3.85Å; I70-R146 HydrophobicContact CG1-CB 4.03Å; R142-R146 VanDerWaalsContact NE-NH2 3.14Å; R142-R146 VanDerWaalsContact O-CG 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.47Å; R142-R146 PolarHBondContact O-N 3.14Å; S143-R146 WeakPolarHBondContact O-CB 3.34Å; S143-R146 PolarHBondContact O-N 3.48Å; H144-R146 PolarHBondContact O-N 3.26Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-H149 PolarHBondContact O-N 3.17Å; R146-V150 WeakPolarHBondContact O-CG2 3.35Å; R146-V150 PolarHBondContact O-N 2.99Å
147I98.8Very high97.9Very high1 Ų145.2 Ų45.21%0.00526%0.264CS..Hα-helixtrans-58.6-51.6175-66.7169000108.6I70 R128 L131 H132 V135 S143 H144 H149 V150 F151I70-I147 HydrophobicContact CD1-CB 4.43Å; I70-I147 HydrophobicContact CD1-CG1 3.85Å; I70-I147 HydrophobicContact CG1-CG1 4.08Å; I70-I147 HydrophobicContact CG2-CG1 4.16Å; R128-I147 HydrophobicContact CG-CG2 3.71Å; L131-I147 HydrophobicContact CB-CG2 4.41Å; L131-I147 HydrophobicContact CD2-CD1 4.13Å; L131-I147 HydrophobicContact CD2-CG1 4.02Å; L131-I147 HydrophobicContact CD2-CG2 4.23Å; L131-I147 HydrophobicContact CG-CD1 4.04Å; L131-I147 HydrophobicContact CG-CG1 4.48Å; H132-I147 WeakPolarHBondContact NE2-CG2 3.38Å; V135-I147 HydrophobicContact CG2-CD1 3.72Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.89Å; H144-I147 WeakPolarHBondContact O-CA 3.49Å; H144-I147 WeakPolarHBondContact O-CB 3.44Å; H144-I147 PolarHBondContact O-N 3.48Å; I147-H149 VanDerWaalsContact C-N 3.34Å; I147-H149 PolarHBondContact O-N 3.19Å; I147-V150 PolarHBondContact O-N 3.37Å; I147-F151 HydrophobicContact CG2-CD2 3.82Å; I147-F151 HydrophobicContact CG2-CE2 4.16Å; I147-F151 WeakPolarHBondContact O-CD2 3.31Å; I147-F151 PolarHBondContact O-N 2.85Å
148D98.8Very high98Very high55 Ų5546.7 Ų46.729%0.29426%0.256SS..Hα-helixtrans-55.3-49.2174.5-68.8-49.8000111.8H132 H144 R146 V150 F151 N152H132-D148 IonicContact CE1-OD1 3.88Å; H132-D148 IonicContact CE1-OD2 2.6Å; H132-D148 IonicContact NE2-OD1 3.9Å; H132-D148 PolarHBondContact NE2-OD1 3.17Å; H132-D148 VanDerWaalsContact NE2-OD1 3.15Å; H132-D148 IonicContact NE2-OD2 3.09Å; H144-D148 PolarHBondContact O-N 3.01Å; R146-D148 VanDerWaalsContact C-N 3.34Å; D148-V150 VanDerWaalsContact C-N 3.3Å; D148-V150 PolarHBondContact O-N 2.85Å; D148-F151 PolarHBondContact O-N 2.75Å; D148-N152 WeakPolarHBondContact O-CB 3.48Å; D148-N152 PolarHBondContact O-N 2.9Å; D148-N152 PolarHBondContact O-ND2 3.48Å
149H98.8Very high98.2Very high37 Ų3744 Ų4417%0.17124%0.243CC..Hα-helixtrans-58.9-40.1-178.7178.8-131.9000113E59 K62 I63 D66 A145 R146 I147E59-H149 IonicContact OE1-CD2 3.97Å; E59-H149 IonicContact OE1-CE1 3.15Å; E59-H149 IonicContact OE1-NE2 2.9Å; E59-H149 PolarHBondContact OE1-NE2 3.1Å; K62-H149 VanDerWaalsContact CE-CE1 3.46Å; K62-H149 WeakPolarHBondContact CE-CE1 3.29Å; K62-H149 PolarHBondContact NZ-CE1 3.31Å; K62-H149 VanDerWaalsContact NZ-CE1 3.31Å; K62-H149 PolarHBondContact NZ-NE2 2.9Å; I63-H149 VanDerWaalsContact CG1-CE1 3.43Å; I63-H149 WeakPolarHBondContact CG1-CE1 3.46Å; D66-H149 IonicContact OD2-CE1 3.74Å; D66-H149 IonicContact OD2-CG 2.67Å; D66-H149 IonicContact OD2-ND1 2.86Å; D66-H149 PolarHBondContact OD2-ND1 3.32Å; A145-H149 WeakPolarHBondContact O-CB 3.25Å; A145-H149 PolarHBondContact O-N 2.72Å; R146-H149 PolarHBondContact O-N 3.17Å; I147-H149 VanDerWaalsContact C-N 3.34Å; I147-H149 PolarHBondContact O-N 3.19Å
150V98.8Very high98.4Very high10 Ų1042.8 Ų42.86%0.06124%0.237CC..Hα-helixtrans-71.2-55.4178166.80000111D66 V67 I70 R146 I147 D148 H153 F154D66-V150 HydrophobicContact CB-CG2 3.8Å; V67-V150 HydrophobicContact CG2-CB 4.38Å; V67-V150 HydrophobicContact CG2-CG1 3.64Å; V67-V150 HydrophobicContact CG2-CG2 3.75Å; I70-V150 HydrophobicContact CD1-CB 4.43Å; I70-V150 HydrophobicContact CD1-CG2 3.97Å; R146-V150 WeakPolarHBondContact O-CG2 3.35Å; R146-V150 PolarHBondContact O-N 2.99Å; I147-V150 PolarHBondContact O-N 3.37Å; D148-V150 VanDerWaalsContact C-N 3.3Å; D148-V150 PolarHBondContact O-N 2.85Å; V150-H153 PolarHBondContact O-N 3.07Å; V150-F154 HydrophobicContact CG1-CD2 3.81Å; V150-F154 HydrophobicContact CG1-CE2 3.98Å; V150-F154 VanDerWaalsContact O-CD2 3.28Å; V150-F154 WeakPolarHBondContact O-CD2 3.5Å; V150-F154 PolarHBondContact O-N 3.34Å; V150-F154 VanDerWaalsContact O-N 3.09Å
151F98.7Very high98.4Very high19 Ų1941.4 Ų41.48%0.08323%0.228CC..Hα-helixtrans-72.3-35-172.9-80.2-81.9000112.5L124 C127 R128 L131 I147 D148 H153 F154 A155L124-F151 HydrophobicContact CB-CD1 4.39Å; L124-F151 WeakPolarHBondContact O-CD1 3.41Å; L124-F151 WeakPolarHBondContact O-CE1 3.34Å; C127-F151 HydrophobicContact CB-CD1 4.5Å; C127-F151 HydrophobicContact CB-CE1 3.57Å; C127-F151 HydrophobicContact CB-CZ 3.95Å; R128-F151 HydrophobicContact CB-CB 3.65Å; R128-F151 HydrophobicContact CB-CD1 3.91Å; R128-F151 HydrophobicContact CB-CD2 3.81Å; R128-F151 HydrophobicContact CB-CE2 4.41Å; R128-F151 HydrophobicContact CB-CG 3.51Å; R128-F151 HydrophobicContact CG-CB 3.62Å; R128-F151 HydrophobicContact CG-CD2 3.86Å; R128-F151 HydrophobicContact CG-CG 3.83Å; L131-F151 HydrophobicContact CD2-CE2 3.79Å; L131-F151 HydrophobicContact CD2-CZ 4.42Å; I147-F151 HydrophobicContact CG2-CD2 3.82Å; I147-F151 HydrophobicContact CG2-CE2 4.16Å; I147-F151 WeakPolarHBondContact O-CD2 3.31Å; I147-F151 PolarHBondContact O-N 2.85Å; D148-F151 PolarHBondContact O-N 2.75Å; F151-H153 PolarHBondContact O-N 2.9Å; F151-F154 PolarHBondContact O-N 3.3Å; F151-A155 WeakPolarHBondContact O-CA 3.47Å; F151-A155 WeakPolarHBondContact O-CB 3.36Å; F151-A155 PolarHBondContact O-N 3.17Å
152N98.6Very high98.4Very high81 Ų8142 Ų4243%0.43322%0.217SC..Hα-helixtrans-65.7-27175.6-64-16.7000112.1R128 D148 N156R128-N152 PolarHBondContact NH1-OD1 3.37Å; D148-N152 WeakPolarHBondContact O-CB 3.48Å; D148-N152 PolarHBondContact O-N 2.9Å; D148-N152 PolarHBondContact O-ND2 3.48Å; N152-N156 PolarHBondContact O-N 3.43Å
153H98.8Very high98.5Very high17 Ų1734.4 Ų34.48%0.07919%0.189CC..Hα-helixtrans-74.9-53.9172.2173.373.3000111.5T50 F53 I63 V150 F151 A155 N156 F159T50-H153 WeakPolarHBondContact CG2-NE2 3.42Å; T50-H153 PolarHBondContact OG1-NE2 3.27Å; F53-H153 AromaticContact CD1-CE1 3.97Å; I63-H153 HydrophobicContact CD1-CB 3.93Å; V150-H153 PolarHBondContact O-N 3.07Å; F151-H153 PolarHBondContact O-N 2.9Å; H153-A155 VanDerWaalsContact C-N 3.29Å; H153-A155 PolarHBondContact O-N 2.96Å; H153-N156 WeakPolarHBondContact O-CB 3.5Å; H153-N156 PolarHBondContact O-N 3.06Å; H153-F159 AromaticContact CE1-CD2 3.81Å; H153-F159 AromaticContact NE2-CD2 3.86Å; H153-F159 AromaticContact NE2-CE2 3.76Å; H153-F159 AromaticContact NE2-CZ 3.98Å
154F98.6Very high98.5Very high24 Ų2436.1 Ų36.111%0.10520%0.195CC..Hα-helixtrans-71.3-24.5-176.4-68.5-59.9000113.4L46 I63 I64 V67 L124 V150 F151 N156 F159 L160L46-F154 HydrophobicContact CB-CE1 4.28Å; L46-F154 HydrophobicContact CB-CZ 4.23Å; L46-F154 HydrophobicContact CD1-CZ 4.46Å; L46-F154 HydrophobicContact CD2-CD1 4.33Å; L46-F154 HydrophobicContact CD2-CE1 3.75Å; L46-F154 HydrophobicContact CD2-CZ 4.3Å; L46-F154 HydrophobicContact CG-CE1 4.46Å; I63-F154 HydrophobicContact CG2-CE2 3.77Å; I63-F154 HydrophobicContact CG2-CZ 3.89Å; I64-F154 HydrophobicContact CD1-CZ 4.4Å; V67-F154 HydrophobicContact CG2-CE2 4.06Å; L124-F154 HydrophobicContact CD1-CB 4.36Å; L124-F154 VanDerWaalsContact CD1-O 3.23Å; L124-F154 WeakPolarHBondContact CD1-O 3.17Å; V150-F154 HydrophobicContact CG1-CD2 3.81Å; V150-F154 HydrophobicContact CG1-CE2 3.98Å; V150-F154 VanDerWaalsContact O-CD2 3.28Å; V150-F154 WeakPolarHBondContact O-CD2 3.5Å; V150-F154 PolarHBondContact O-N 3.34Å; V150-F154 VanDerWaalsContact O-N 3.09Å; F151-F154 PolarHBondContact O-N 3.3Å; F154-N156 VanDerWaalsContact C-N 3.34Å; F154-F159 AromaticContact CD1-CE1 3.76Å; F154-F159 HydrophobicContact CD1-CE1 3.76Å; F154-F159 HydrophobicContact CD1-CZ 4.15Å; F154-F159 HydrophobicContact CE1-CE1 4.38Å; F154-F159 HydrophobicContact CE1-CZ 4.32Å; F154-L160 WeakPolarHBondContact O-CD2 3.39Å
155A98.6Very high98.3Very high9 Ų935.4 Ų35.47%0.07420%0.2CC..THydrogen-bonded Turntrans-93.415.8170.900000112.7V121 L124 L125 F151 H153 G157V121-A155 HydrophobicContact CG1-CB 4.32Å; V121-A155 VanDerWaalsContact CG2-O 3.29Å; V121-A155 WeakPolarHBondContact CG2-O 3.27Å; L124-A155 HydrophobicContact CB-CB 3.82Å; L124-A155 HydrophobicContact CD1-CB 4.25Å; L125-A155 HydrophobicContact CD2-CB 3.8Å; L125-A155 HydrophobicContact CG-CB 3.99Å; F151-A155 WeakPolarHBondContact O-CA 3.47Å; F151-A155 WeakPolarHBondContact O-CB 3.36Å; F151-A155 PolarHBondContact O-N 3.17Å; H153-A155 VanDerWaalsContact C-N 3.29Å; H153-A155 PolarHBondContact O-N 2.96Å; A155-G157 PolarHBondContact O-N 3.05Å
156N98.6Very high97.9Very high55 Ų5541 Ų4129%0.29422%0.222SC..  trans-73.7117.6169-178.7-28000108.8N152 H153 F154 D158 F159 L160N152-N156 PolarHBondContact O-N 3.43Å; H153-N156 WeakPolarHBondContact O-CB 3.5Å; H153-N156 PolarHBondContact O-N 3.06Å; F154-N156 VanDerWaalsContact C-N 3.34Å; N156-D158 PolarHBondContact O-N 3.31Å; N156-D158 WeakPolarHBondContact OD1-CB 3.31Å; N156-D158 PolarHBondContact OD1-N 3.04Å; N156-F159 HydrophobicContact CB-CB 3.91Å; N156-F159 WeakPolarHBondContact O-CB 3.38Å; N156-F159 PolarHBondContact O-N 3.32Å; N156-F159 VanDerWaalsContact O-N 3.09Å; N156-F159 PolarHBondContact OD1-N 3.41Å; N156-L160 PolarHBondContact O-N 3.3Å
157G98.3Very high97.6Very high17 Ų1741.4 Ų41.418%0.17523%0.234CC..Hα-helixtrans-57.9-34-179.200000113.9A155 L160 V161A155-G157 PolarHBondContact O-N 3.05Å; G157-L160 PolarHBondContact O-N 3.06Å; G157-V161 VanDerWaalsContact O-CG2 3.25Å; G157-V161 WeakPolarHBondContact O-CG2 3.25Å; G157-V161 PolarHBondContact O-N 2.92Å
158D98.4Very high97.2Very high102 Ų10248.3 Ų48.355%0.54527%0.266SS..Hα-helixtrans-72.5-38.1177.1-61.3-27.3000111.1F53 N156 L160 V161 E162F53-D158 HydrophobicContact CE2-CB 4.25Å; F53-D158 HydrophobicContact CZ-CB 4.06Å; N156-D158 PolarHBondContact O-N 3.31Å; N156-D158 WeakPolarHBondContact OD1-CB 3.31Å; N156-D158 PolarHBondContact OD1-N 3.04Å; D158-L160 VanDerWaalsContact C-N 3.33Å; D158-L160 PolarHBondContact O-N 3.01Å; D158-V161 PolarHBondContact O-N 3.29Å; D158-E162 WeakPolarHBondContact O-CG 3.25Å; D158-E162 PolarHBondContact O-N 3.02Å
159F98.6Very high96.8Very high2 Ų251.3 Ų51.31%0.00928%0.279CS..Hα-helixtrans-60.7-44.6172.7169.5-103.5000111.2A49 F53 H153 F154 N156 E162 L163A49-F159 HydrophobicContact CB-CE2 4.21Å; A49-F159 HydrophobicContact CB-CZ 4.27Å; F53-F159 HydrophobicContact CB-CD2 3.71Å; F53-F159 HydrophobicContact CB-CE2 4.18Å; F53-F159 HydrophobicContact CD1-CB 4.02Å; F53-F159 AromaticContact CD1-CD2 3.87Å; F53-F159 HydrophobicContact CD1-CD2 3.87Å; F53-F159 HydrophobicContact CD1-CG 4.39Å; F53-F159 HydrophobicContact CD2-CB 4.24Å; F53-F159 HydrophobicContact CD2-CD2 4.11Å; F53-F159 HydrophobicContact CE1-CB 3.81Å; F53-F159 VanDerWaalsContact CE2-CA 3.44Å; F53-F159 HydrophobicContact CE2-CB 4.04Å; F53-F159 HydrophobicContact CG-CB 4.22Å; F53-F159 AromaticContact CG-CD2 3.63Å; F53-F159 HydrophobicContact CG-CD2 3.63Å; F53-F159 HydrophobicContact CG-CG 4.42Å; F53-F159 HydrophobicContact CZ-CB 3.82Å; H153-F159 AromaticContact CE1-CD2 3.81Å; H153-F159 AromaticContact NE2-CD2 3.86Å; H153-F159 AromaticContact NE2-CE2 3.76Å; H153-F159 AromaticContact NE2-CZ 3.98Å; F154-F159 AromaticContact CD1-CE1 3.76Å; F154-F159 HydrophobicContact CD1-CE1 3.76Å; F154-F159 HydrophobicContact CD1-CZ 4.15Å; F154-F159 HydrophobicContact CE1-CE1 4.38Å; F154-F159 HydrophobicContact CE1-CZ 4.32Å; N156-F159 HydrophobicContact CB-CB 3.91Å; N156-F159 WeakPolarHBondContact O-CB 3.38Å; N156-F159 PolarHBondContact O-N 3.32Å; N156-F159 VanDerWaalsContact O-N 3.09Å; N156-F159 PolarHBondContact OD1-N 3.41Å; F159-E162 PolarHBondContact O-N 3.38Å; F159-L163 HydrophobicContact CE1-CD2 3.95Å; F159-L163 HydrophobicContact CZ-CD2 4.06Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 2.93Å
160L98.4Very high96.7Very high5 Ų550.2 Ų50.23%0.02627%0.273CS..Hα-helixtrans-66.3-38.7178.8-66.6177000111.8F115 L120 V121 F154 N156 G157 D158 L163 Y164F115-L160 HydrophobicContact CE2-CB 4.42Å; F115-L160 HydrophobicContact CZ-CB 4.01Å; F115-L160 WeakPolarHBondContact CZ-O 3.47Å; L120-L160 HydrophobicContact CB-CD1 4.1Å; L120-L160 HydrophobicContact CD2-CD1 4.13Å; L120-L160 HydrophobicContact CD2-CD2 3.77Å; L120-L160 HydrophobicContact CG-CD1 4.06Å; L120-L160 HydrophobicContact CG-CD2 4.4Å; V121-L160 HydrophobicContact CG2-CD1 3.66Å; F154-L160 WeakPolarHBondContact O-CD2 3.39Å; N156-L160 PolarHBondContact O-N 3.3Å; G157-L160 PolarHBondContact O-N 3.06Å; D158-L160 VanDerWaalsContact C-N 3.33Å; D158-L160 PolarHBondContact O-N 3.01Å; L160-L163 PolarHBondContact O-N 3.3Å; L160-Y164 WeakPolarHBondContact O-CD2 3.41Å; L160-Y164 PolarHBondContact O-N 3.34Å
161V98.1Very high96.5Very high57 Ų5756.5 Ų56.535%0.34530%0.296SS..Hα-helixtrans-62.2-44.1174.8167.30000111.4F115 R117 G157 D158 G165F115-V161 HydrophobicContact CE1-CG2 4.28Å; R117-V161 HydrophobicContact CB-CG2 4.43Å; G157-V161 VanDerWaalsContact O-CG2 3.25Å; G157-V161 WeakPolarHBondContact O-CG2 3.25Å; G157-V161 PolarHBondContact O-N 2.92Å; D158-V161 PolarHBondContact O-N 3.29Å; V161-G165 PolarHBondContact O-N 3.48Å
162E97.8Very high96.4Very high96 Ų9659.2 Ų59.245%0.44931%0.31SS..Hα-helixtrans-65.2-42.3175.7-70.4-67.6151.700111.7F53 D158 F159 Y164 G165 Y170F53-E162 HydrophobicContact CD2-CB 4.17Å; F53-E162 HydrophobicContact CD2-CG 4Å; F53-E162 HydrophobicContact CE2-CG 4.03Å; D158-E162 WeakPolarHBondContact O-CG 3.25Å; D158-E162 PolarHBondContact O-N 3.02Å; F159-E162 PolarHBondContact O-N 3.38Å; E162-Y164 PolarHBondContact O-N 3.4Å; E162-G165 PolarHBondContact O-N 3.24Å; E162-Y170 HydrophobicContact CB-CD2 4.44Å; E162-Y170 HydrophobicContact CB-CE2 3.99Å; E162-Y170 WeakPolarHBondContact O-CB 3.11Å; E162-Y170 WeakPolarHBondContact O-CD2 3.26Å
163L98.1Very high96.3Very high11 Ų1155.5 Ų55.56%0.05829%0.291CS..Hα-helixtrans-63.1-40.7-178.8179.962.5000112.9A49 F159 L160 Y170 L174A49-L163 HydrophobicContact CB-CD1 4Å; F159-L163 HydrophobicContact CE1-CD2 3.95Å; F159-L163 HydrophobicContact CZ-CD2 4.06Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 2.93Å; L160-L163 PolarHBondContact O-N 3.3Å; L163-Y170 HydrophobicContact CD1-CD1 4.21Å; L163-L174 HydrophobicContact CD1-CB 4.12Å; L163-L174 HydrophobicContact CD1-CD1 4.44Å; L163-L174 HydrophobicContact CD2-CD1 4.36Å; L163-L174 HydrophobicContact CG-CD1 4.16Å; L163-L174 WeakPolarHBondContact O-CD2 3.49Å
164Y97.6Very high96.3Very high37 Ų3755.1 Ų55.115%0.14529%0.289CS..THydrogen-bonded Turntrans-92.14.2177.9-74.5-97.7000113.3A105 F108 F115 L120 L160 E162 L174A105-Y164 WeakPolarHBondContact CA-OH 3.42Å; A105-Y164 WeakPolarHBondContact CB-OH 3.27Å; A105-Y164 PolarHBondContact O-OH 3.15Å; F108-Y164 HydrophobicContact CB-CD1 4.1Å; F108-Y164 HydrophobicContact CB-CE1 3.5Å; F108-Y164 VanDerWaalsContact CB-CE1 3.5Å; F115-Y164 HydrophobicContact CB-CD1 4.44Å; F115-Y164 HydrophobicContact CD1-CG 4.49Å; F115-Y164 AromaticContact CD2-CD1 3.64Å; F115-Y164 HydrophobicContact CD2-CD1 3.64Å; F115-Y164 AromaticContact CD2-CD2 3.76Å; F115-Y164 HydrophobicContact CD2-CD2 3.76Å; F115-Y164 HydrophobicContact CD2-CE1 4.1Å; F115-Y164 HydrophobicContact CD2-CE2 4.2Å; F115-Y164 AromaticContact CD2-CG 3.45Å; F115-Y164 HydrophobicContact CD2-CG 3.45Å; F115-Y164 VanDerWaalsContact CD2-CG 3.45Å; F115-Y164 HydrophobicContact CE2-CD1 4.15Å; F115-Y164 AromaticContact CE2-CD2 3.35Å; F115-Y164 HydrophobicContact CE2-CD2 3.35Å; F115-Y164 AromaticContact CE2-CE2 3.84Å; F115-Y164 HydrophobicContact CE2-CE2 3.84Å; F115-Y164 AromaticContact CE2-CG 3.53Å; F115-Y164 HydrophobicContact CE2-CG 3.53Å; F115-Y164 HydrophobicContact CG-CD1 4.14Å; F115-Y164 AromaticContact CG-CG 3.97Å; F115-Y164 HydrophobicContact CG-CG 3.97Å; F115-Y164 AromaticContact CZ-CD2 3.94Å; F115-Y164 HydrophobicContact CZ-CD2 3.94Å; F115-Y164 HydrophobicContact CZ-CG 4.09Å; L120-Y164 HydrophobicContact CD2-CE2 3.83Å; L160-Y164 WeakPolarHBondContact O-CD2 3.41Å; L160-Y164 PolarHBondContact O-N 3.34Å; E162-Y164 PolarHBondContact O-N 3.4Å; Y164-L174 HydrophobicContact CD1-CD2 3.63Å; Y164-L174 HydrophobicContact CD2-CD2 4.44Å; Y164-L174 HydrophobicContact CE1-CD1 4.14Å; Y164-L174 HydrophobicContact CE1-CD2 3.87Å; Y164-L174 HydrophobicContact CE2-CD1 4.29Å; Y164-L174 HydrophobicContact CG-CD2 3.95Å
165G93.9Very high96.2Very high28 Ų2859.5 Ų59.529%0.28931%0.305SS..SBendtrans-81-176.2178.500000113.8V161 E162 G167V161-G165 PolarHBondContact O-N 3.48Å; E162-G165 PolarHBondContact O-N 3.24Å; G165-G167 PolarHBondContact O-N 3.47Å
166D90.9Very high96.2Very high172 Ų17261.6 Ų61.692%0.9231%0.313SS*.SBendtrans-80.12.4-175.1-64.5-43000114.5E168D166-E168 PolarHBondContact O-N 3.16Å
167G92.3Very high96.1Very high34 Ų3459.5 Ų59.535%0.35130%0.301SS..  trans-64123.5-179.500000111.9G165 E169 Y170 R171G165-G167 PolarHBondContact O-N 3.47Å; G167-E169 VanDerWaalsContact C-N 3.33Å; G167-E169 PolarHBondContact O-N 3.33Å; G167-Y170 PolarHBondContact O-N 2.93Å; G167-R171 WeakPolarHBondContact O-CB 3.38Å; G167-R171 PolarHBondContact O-N 3.28Å
168E91.1Very high96.1Very high146 Ų14658.7 Ų58.768%0.68229%0.293SS*.Hα-helixtrans-56.7-43.7-173.9-174.5174.6-168.900113.3D166 Y170 R171 L172D166-E168 PolarHBondContact O-N 3.16Å; E168-Y170 PolarHBondContact O-N 3.48Å; E168-R171 PolarHBondContact O-N 2.74Å; E168-L172 PolarHBondContact O-N 3.32Å
169E90.7Very high96.1Very high119 Ų11958.1 Ų58.156%0.55629%0.29SS*.Hα-helixtrans-61.6-41.4177.3-67-68.1142.900112.1G167 S173G167-E169 VanDerWaalsContact C-N 3.33Å; G167-E169 PolarHBondContact O-N 3.33Å; E169-S173 WeakPolarHBondContact O-CB 3.43Å; E169-S173 PolarHBondContact O-N 2.92Å; E169-S173 VanDerWaalsContact O-N 3.15Å; E169-S173 PolarHBondContact O-OG 3.4Å
170Y96.1Very high96Very high14 Ų1458.4 Ų58.46%0.05529%0.294CS..Hα-helixtrans-70.8-41.8177.3-71.3-63.7000111.6A49 E52 F53 E162 L163 G167 E168 L172 S173 L174A49-Y170 HydrophobicContact CB-CD1 4.18Å; A49-Y170 HydrophobicContact CB-CE1 4.23Å; E52-Y170 VanDerWaalsContact C-OH 3.26Å; E52-Y170 HydrophobicContact CB-CE1 4.11Å; E52-Y170 HydrophobicContact CG-CE1 4.29Å; E52-Y170 HydrophobicContact CG-CE2 4.06Å; F53-Y170 WeakPolarHBondContact CA-OH 3.5Å; F53-Y170 WeakPolarHBondContact CB-OH 3.22Å; F53-Y170 PolarHBondContact N-OH 3.03Å; E162-Y170 HydrophobicContact CB-CD2 4.44Å; E162-Y170 HydrophobicContact CB-CE2 3.99Å; E162-Y170 WeakPolarHBondContact O-CB 3.11Å; E162-Y170 WeakPolarHBondContact O-CD2 3.26Å; L163-Y170 HydrophobicContact CD1-CD1 4.21Å; G167-Y170 PolarHBondContact O-N 2.93Å; E168-Y170 PolarHBondContact O-N 3.48Å; Y170-L172 VanDerWaalsContact C-N 3.34Å; Y170-L172 PolarHBondContact O-N 2.76Å; Y170-S173 PolarHBondContact O-N 3Å; Y170-L174 VanDerWaalsContact O-CB 3.24Å; Y170-L174 WeakPolarHBondContact O-CB 3.26Å; Y170-L174 PolarHBondContact O-N 2.91Å
171R95.1Very high95.9Very high141 Ų14159.3 Ų59.353%0.53230%0.298SS..Hα-helixtrans-62.2-40.3178.4-165.8-179.267.397.91.8112.3G167 E168 R175G167-R171 WeakPolarHBondContact O-CB 3.38Å; G167-R171 PolarHBondContact O-N 3.28Å; E168-R171 PolarHBondContact O-N 2.74Å; R171-R175 WeakPolarHBondContact O-CB 3.2Å; R171-R175 PolarHBondContact O-N 2.73Å
172L95.6Very high95.7Very high76 Ų7658.5 Ų58.540%0.39829%0.292SS..Hα-helixtrans-65.4-45.7174.6-18062000111.4E168 Y170 K176E168-L172 PolarHBondContact O-N 3.32Å; Y170-L172 VanDerWaalsContact C-N 3.34Å; Y170-L172 PolarHBondContact O-N 2.76Å; L172-K176 WeakPolarHBondContact O-CG 3.3Å; L172-K176 PolarHBondContact O-N 3.14Å
173S97.3Very high95.6Very high4 Ų458.4 Ų58.43%0.02829%0.29CS..Hα-helixtrans-62.4-49.6178.7-56.30000110.8E169 Y170 R175 K176 I177E169-S173 WeakPolarHBondContact O-CB 3.43Å; E169-S173 PolarHBondContact O-N 2.92Å; E169-S173 VanDerWaalsContact O-N 3.15Å; E169-S173 PolarHBondContact O-OG 3.4Å; Y170-S173 PolarHBondContact O-N 3Å; S173-R175 PolarHBondContact O-N 3.42Å; S173-K176 PolarHBondContact O-N 3.08Å; S173-I177 WeakPolarHBondContact O-CD1 3.49Å; S173-I177 VanDerWaalsContact O-CG1 3.25Å; S173-I177 WeakPolarHBondContact O-CG1 3.47Å; S173-I177 PolarHBondContact O-N 3.25Å
174L97.6Very high95.3Very high8 Ų858.7 Ų58.74%0.04229%0.291CS..Hα-helixtrans-59.7-45.8180-179.159.9000111.5Y109 L163 Y164 Y170 K176 I177 C178Y109-L174 HydrophobicContact CD2-CD2 3.67Å; Y109-L174 HydrophobicContact CD2-CG 3.7Å; Y109-L174 HydrophobicContact CE2-CG 4.39Å; Y109-L174 HydrophobicContact CG-CD2 4.39Å; Y109-L174 HydrophobicContact CG-CG 4.21Å; L163-L174 HydrophobicContact CD1-CB 4.12Å; L163-L174 HydrophobicContact CD1-CD1 4.44Å; L163-L174 HydrophobicContact CD2-CD1 4.36Å; L163-L174 HydrophobicContact CG-CD1 4.16Å; L163-L174 WeakPolarHBondContact O-CD2 3.49Å; Y164-L174 HydrophobicContact CD1-CD2 3.63Å; Y164-L174 HydrophobicContact CD2-CD2 4.44Å; Y164-L174 HydrophobicContact CE1-CD1 4.14Å; Y164-L174 HydrophobicContact CE1-CD2 3.87Å; Y164-L174 HydrophobicContact CE2-CD1 4.29Å; Y164-L174 HydrophobicContact CG-CD2 3.95Å; Y170-L174 VanDerWaalsContact O-CB 3.24Å; Y170-L174 WeakPolarHBondContact O-CB 3.26Å; Y170-L174 PolarHBondContact O-N 2.91Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.02Å; L174-I177 PolarHBondContact O-N 3.25Å; L174-C178 WeakPolarHBondContact O-CB 3.44Å; L174-C178 PolarHBondContact O-N 3.45Å; L174-C178 PolarHBondContact O-SG 3Å; L174-C178 VanDerWaalsContact O-SG 3.35Å
175R97.4Very high95Very high117 Ų11758.7 Ų58.744%0.44229%0.294SS..Hα-helixtrans-53.9-48.1175.4-179.7177.485.2-177.16111.8Y109 R171 S173 C178 N179Y109-R175 HydrophobicContact CE1-CB 4.49Å; Y109-R175 HydrophobicContact CE1-CG 4.4Å; Y109-R175 HydrophobicContact CE2-CB 4.24Å; Y109-R175 VanDerWaalsContact OH-CB 3.31Å; Y109-R175 WeakPolarHBondContact OH-CB 3.36Å; Y109-R175 WeakPolarHBondContact OH-CG 3.47Å; R171-R175 WeakPolarHBondContact O-CB 3.2Å; R171-R175 PolarHBondContact O-N 2.73Å; S173-R175 PolarHBondContact O-N 3.42Å; R175-C178 PolarHBondContact O-N 3.5Å; R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 PolarHBondContact O-N 3.17Å; R175-N179 PolarHBondContact O-OD1 2.94Å
176K97.8Very high94.8Very high52 Ų5264.2 Ų64.223%0.22632%0.317CS..Hα-helixtrans-69.5-39.3-178.3-71.3178.1167.9-150.30112.3E41 E45 L172 S173 L174 N179 G180E41-K176 IonicContact OE1-NZ 3.56Å; E45-K176 HydrophobicContact CG-CB 3.75Å; E45-K176 HydrophobicContact CG-CD 3.72Å; E45-K176 HydrophobicContact CG-CG 4.48Å; E45-K176 WeakPolarHBondContact OE1-CD 3.49Å; E45-K176 IonicContact OE1-NZ 3.62Å; E45-K176 PolarHBondContact OE1-NZ 3Å; L172-K176 WeakPolarHBondContact O-CG 3.3Å; L172-K176 PolarHBondContact O-N 3.14Å; S173-K176 PolarHBondContact O-N 3.08Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.02Å; K176-N179 PolarHBondContact O-N 3.05Å; K176-G180 PolarHBondContact O-N 3.32Å
177I97.8Very high94.8Very high11 Ų1161.1 Ų61.16%0.05630%0.297CS..Hα-helixtrans-57.6-52.3172.9-69.4162.4000109.7E45 L46 S173 L174 N179 G180 I181E45-I177 HydrophobicContact CB-CD1 4.12Å; E45-I177 HydrophobicContact CB-CG1 3.68Å; L46-I177 HydrophobicContact CD2-CD1 3.85Å; L46-I177 HydrophobicContact CD2-CG1 4.46Å; L46-I177 HydrophobicContact CG-CD1 4.2Å; L46-I177 HydrophobicContact CG-CG1 4.43Å; S173-I177 WeakPolarHBondContact O-CD1 3.49Å; S173-I177 VanDerWaalsContact O-CG1 3.25Å; S173-I177 WeakPolarHBondContact O-CG1 3.47Å; S173-I177 PolarHBondContact O-N 3.25Å; L174-I177 PolarHBondContact O-N 3.25Å; I177-N179 PolarHBondContact O-N 2.96Å; I177-G180 PolarHBondContact O-N 3.33Å; I177-I181 HydrophobicContact CG2-CD1 3.63Å; I177-I181 HydrophobicContact CG2-CG1 4.34Å; I177-I181 WeakPolarHBondContact O-CB 3.34Å; I177-I181 VanDerWaalsContact O-CG1 3.3Å; I177-I181 WeakPolarHBondContact O-CG1 3.41Å; I177-I181 PolarHBondContact O-N 3.29Å
178C97.6Very high94.4Very high1 Ų162.5 Ų62.51%0.00731%0.311CS..Hα-helixtrans-63.2-41-179.5-67.90000112.3V106 Y109 L174 R175 G180 I181 N182V106-C178 HydrophobicContact CG2-CB 4.25Å; Y109-C178 WeakPolarHBondContact CB-SG 3.45Å; Y109-C178 HydrophobicContact CD1-CB 3.54Å; Y109-C178 HydrophobicContact CE1-CB 4.15Å; Y109-C178 HydrophobicContact CG-CB 4.07Å; L174-C178 WeakPolarHBondContact O-CB 3.44Å; L174-C178 PolarHBondContact O-N 3.45Å; L174-C178 PolarHBondContact O-SG 3Å; L174-C178 VanDerWaalsContact O-SG 3.35Å; R175-C178 PolarHBondContact O-N 3.5Å; C178-G180 PolarHBondContact O-N 3.49Å; C178-I181 PolarHBondContact O-N 2.89Å; C178-N182 WeakPolarHBondContact O-CB 3.36Å; C178-N182 PolarHBondContact O-N 2.96Å
179N97.3Very high94Very high90 Ų9058.4 Ų58.448%0.48130%0.297SS..Hα-helixtrans-60.8-44.2174.3-72.9-5.6000112.2R175 K176 I177 K183R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 PolarHBondContact O-N 3.17Å; R175-N179 PolarHBondContact O-OD1 2.94Å; K176-N179 PolarHBondContact O-N 3.05Å; I177-N179 PolarHBondContact O-N 2.96Å; N179-K183 PolarHBondContact O-N 2.97Å; N179-K183 VanDerWaalsContact O-N 3.1Å
180G96.4Very high93.3Very high8 Ų855.5 Ų55.58%0.08229%0.285CS..Hα-helixtrans-64.2-44.2176.200000111.9K176 I177 C178 K183 L184K176-G180 PolarHBondContact O-N 3.32Å; I177-G180 PolarHBondContact O-N 3.33Å; C178-G180 PolarHBondContact O-N 3.49Å; G180-K183 WeakPolarHBondContact O-CB 3.36Å; G180-K183 PolarHBondContact O-N 3.49Å; G180-L184 WeakPolarHBondContact O-CG 3.3Å; G180-L184 PolarHBondContact O-N 3.44Å
181I96.4Very high93.2Very high23 Ų2357.6 Ų57.612%0.11830%0.296CS..Hα-helixtrans-60.9-46.8176.9-72172.2000111I42 A102 V106 I177 C178 K183 L184 L185I42-I181 HydrophobicContact CD1-CG1 4.36Å; A102-I181 HydrophobicContact CB-CG2 3.59Å; V106-I181 HydrophobicContact CG2-CB 4.12Å; V106-I181 HydrophobicContact CG2-CG2 3.67Å; I177-I181 HydrophobicContact CG2-CD1 3.63Å; I177-I181 HydrophobicContact CG2-CG1 4.34Å; I177-I181 WeakPolarHBondContact O-CB 3.34Å; I177-I181 VanDerWaalsContact O-CG1 3.3Å; I177-I181 WeakPolarHBondContact O-CG1 3.41Å; I177-I181 PolarHBondContact O-N 3.29Å; C178-I181 PolarHBondContact O-N 2.89Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.37Å; I181-L184 PolarHBondContact O-N 2.93Å; I181-L184 VanDerWaalsContact O-N 3.14Å; I181-L185 HydrophobicContact CG2-CD1 3.85Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CG 3.4Å; I181-L185 PolarHBondContact O-N 3.35Å
182N95.4Very high93.1Very high41 Ų4153.2 Ų53.222%0.21928%0.284CS..Hα-helixtrans-56.6-44176.1-88.1-23.8000111.6V106 E110 C178 L184 L185 D186V106-N182 WeakPolarHBondContact CG1-ND2 3.28Å; V106-N182 VanDerWaalsContact CG1-OD1 3.29Å; V106-N182 WeakPolarHBondContact CG1-OD1 3.34Å; E110-N182 PolarHBondContact OE1-ND2 3.18Å; C178-N182 WeakPolarHBondContact O-CB 3.36Å; C178-N182 PolarHBondContact O-N 2.96Å; N182-L184 PolarHBondContact O-N 3.41Å; N182-L185 WeakPolarHBondContact O-CB 3.35Å; N182-L185 PolarHBondContact O-N 2.9Å; N182-D186 WeakPolarHBondContact O-CB 3.44Å; N182-D186 VanDerWaalsContact O-CG 3.3Å; N182-D186 PolarHBondContact O-N 3.23Å
183K95.1Very high92.9Very high94 Ų9451.9 Ų51.941%0.40928%0.277SS..Hα-helixtrans-60.6-44.1176-176177.1171.9-161.50112.4T38 N179 G180 I181 L185 D186 E187T38-K183 HydrophobicContact CG2-CB 4.13Å; T38-K183 HydrophobicContact CG2-CD 3.83Å; T38-K183 HydrophobicContact CG2-CG 4.23Å; T38-K183 WeakPolarHBondContact OG1-CE 3.48Å; T38-K183 PolarHBondContact OG1-NZ 3.29Å; N179-K183 PolarHBondContact O-N 2.97Å; N179-K183 VanDerWaalsContact O-N 3.1Å; G180-K183 WeakPolarHBondContact O-CB 3.36Å; G180-K183 PolarHBondContact O-N 3.49Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.37Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 3.01Å; K183-D186 PolarHBondContact O-N 2.91Å; K183-E187 WeakPolarHBondContact CE-OE1 3.35Å; K183-E187 WeakPolarHBondContact O-CB 3.24Å; K183-E187 VanDerWaalsContact O-CG 3.29Å; K183-E187 WeakPolarHBondContact O-CG 3.48Å; K183-E187 PolarHBondContact O-N 3.26Å
184L91.9Very high92.7Very high16 Ų1654.8 Ų54.88%0.08429%0.292CS..Hα-helixtrans-66.3-34.8176.8-64.5180000112.6T38 I42 G180 I181 N182 G188 T189 L190T38-L184 HydrophobicContact CG2-CD2 4Å; T38-L184 HydrophobicContact CG2-CG 4.03Å; I42-L184 HydrophobicContact CD1-CD1 3.54Å; I42-L184 HydrophobicContact CD1-CG 4.26Å; G180-L184 WeakPolarHBondContact O-CG 3.3Å; G180-L184 PolarHBondContact O-N 3.44Å; I181-L184 PolarHBondContact O-N 2.93Å; I181-L184 VanDerWaalsContact O-N 3.14Å; N182-L184 PolarHBondContact O-N 3.41Å; L184-G188 PolarHBondContact O-N 3.11Å; L184-G188 VanDerWaalsContact O-N 3.11Å; L184-T189 WeakPolarHBondContact CD2-OG1 3.34Å; L184-T189 PolarHBondContact O-N 3.23Å; L184-T189 PolarHBondContact O-OG1 3.25Å; L184-L190 HydrophobicContact CB-CB 4.16Å; L184-L190 HydrophobicContact CB-CD1 3.95Å; L184-L190 HydrophobicContact CD1-CD1 3.9Å
185L91.1Very high92.4Very high37 Ų3757.7 Ų57.719%0.19431%0.308CS..Hα-helixtrans-65.2-46.5173.6-73169.6000111.3N99 A102 M103 I181 N182 K183 E187 G188 L190N99-L185 VanDerWaalsContact OD1-CD2 3.27Å; N99-L185 WeakPolarHBondContact OD1-CD2 3.49Å; A102-L185 HydrophobicContact CB-CD1 4.45Å; A102-L185 HydrophobicContact CB-CD2 4.44Å; M103-L185 HydrophobicContact CG-CD1 3.94Å; M103-L185 HydrophobicContact CG-CD2 4.16Å; I181-L185 HydrophobicContact CG2-CD1 3.85Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CG 3.4Å; I181-L185 PolarHBondContact O-N 3.35Å; N182-L185 WeakPolarHBondContact O-CB 3.35Å; N182-L185 PolarHBondContact O-N 2.9Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 3.01Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.06Å; L185-G188 PolarHBondContact O-N 3.12Å; L185-G188 VanDerWaalsContact O-N 3.11Å; L185-L190 HydrophobicContact CD2-CB 4.33Å; L185-L190 HydrophobicContact CD2-CD2 3.53Å; L185-L190 HydrophobicContact CG-CD2 4.11Å
186D90.8Very high92Very high145 Ų14553.7 Ų53.778%0.77530%0.299SS*.Hα-helixtrans-63.5-36.8178.6-72.5-21.4000112.2N182 K183 G188N182-D186 WeakPolarHBondContact O-CB 3.44Å; N182-D186 VanDerWaalsContact O-CG 3.3Å; N182-D186 PolarHBondContact O-N 3.23Å; K183-D186 PolarHBondContact O-N 2.91Å; D186-G188 VanDerWaalsContact C-N 3.29Å
187E88.9Confident91.6Very high106 Ų10653.9 Ų53.950%0.49530%0.304SS..Hα-helixtrans-78.3-12.3176.4-69.9174.6-179.300113.1K183 L185 T189K183-E187 WeakPolarHBondContact CE-OE1 3.35Å; K183-E187 WeakPolarHBondContact O-CB 3.24Å; K183-E187 VanDerWaalsContact O-CG 3.29Å; K183-E187 WeakPolarHBondContact O-CG 3.48Å; K183-E187 PolarHBondContact O-N 3.26Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.06Å; E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 HydrophobicContact CB-CG2 3.94Å; E187-T189 PolarHBondContact O-N 3.12Å
188G84.3Confident91.2Very high64 Ų6457.2 Ų57.266%0.6632%0.323SS*.THydrogen-bonded Turntrans6727.4-175.700000113.6L184 L185 D186L184-G188 PolarHBondContact O-N 3.11Å; L184-G188 VanDerWaalsContact O-N 3.11Å; L185-G188 PolarHBondContact O-N 3.12Å; L185-G188 VanDerWaalsContact O-N 3.11Å; D186-G188 VanDerWaalsContact C-N 3.29Å
189T83.3Confident90.6Very high60 Ų6061.8 Ų61.837%0.36835%0.349SS..  trans-103.2-1.7-173.952.40000113.8L184 E187L184-T189 WeakPolarHBondContact CD2-OG1 3.34Å; L184-T189 PolarHBondContact O-N 3.23Å; L184-T189 PolarHBondContact O-OG1 3.25Å; E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 HydrophobicContact CB-CG2 3.94Å; E187-T189 PolarHBondContact O-N 3.12Å
190L76.5Confident90Very high58 Ų5859.3 Ų59.330%0.30434%0.337SS..  trans-81.30178.7-163.790000114.2N99 A102 L184 L185N99-L190 PolarHBondContact ND2-O 3.43Å; A102-L190 HydrophobicContact CB-CD2 3.17Å; A102-L190 HydrophobicContact CB-CG 4.47Å; L184-L190 HydrophobicContact CB-CB 4.16Å; L184-L190 HydrophobicContact CB-CD1 3.95Å; L184-L190 HydrophobicContact CD1-CD1 3.9Å; L185-L190 HydrophobicContact CD2-CB 4.33Å; L185-L190 HydrophobicContact CD2-CD2 3.53Å; L185-L190 HydrophobicContact CG-CD2 4.11Å

Retrieved 190 of 190 residues in 520.8 ms (Link to these results)

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