A0A087WSL8_MOUSE Loading...

NOP58 ribonucleoprotein

AlphaFold DB , UniProt , Accession A0A087WSL8, Species MOUSE (Mus musculus, Mouse), Gene Nop58, Length 191 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
1E59.8Low81.8Confident161 Ų161110.7 Ų110.775%0.75261%0.608SS**  0125.90-71.9-80127.100110.4R3 E4E1-R3 PolarHBondContact O-N 3.05Å; E1-R3 VanDerWaalsContact O-N 3.14Å; E1-E4 HydrophobicContact CB-CG 4.01Å; E1-E4 PolarHBondContact O-N 2.83Å; E1-E4 VanDerWaalsContact O-N 3.13Å
2P74.3Confident82.7Confident108 Ų108111.7 Ų111.770%0.70161%0.61SS**Hα-helixtrans-61.9-22-17823.9-32.6000113.6A6P2-A6 PolarHBondContact O-N 2.94Å
3R74.9Confident83.3Confident208 Ų208107.2 Ų107.279%0.78560%0.597SS**Hα-helixtrans-68.7-33.9175.5-69.8-179.8176177.9-0.5113.2E1 A6 A7E1-R3 PolarHBondContact O-N 3.05Å; E1-R3 VanDerWaalsContact O-N 3.14Å; R3-A6 PolarHBondContact O-N 2.73Å; R3-A7 PolarHBondContact O-N 3.5Å; R3-A7 VanDerWaalsContact O-N 3.09Å
4E80.2Confident83.7Confident120 Ų120106.6 Ų106.656%0.56159%0.587SS**Hα-helixtrans-72.9-39.1179.5-64.9174.1154.900111.4E1 A7 M8E1-E4 HydrophobicContact CB-CG 4.01Å; E1-E4 PolarHBondContact O-N 2.83Å; E1-E4 VanDerWaalsContact O-N 3.13Å; E4-A7 PolarHBondContact O-N 3.23Å; E4-M8 HydrophobicContact CB-CE 4.28Å; E4-M8 WeakPolarHBondContact O-CG 3.49Å; E4-M8 PolarHBondContact O-N 3.12Å
5M82.3Confident83.9Confident140 Ų140104 Ų10469%0.6958%0.58SS**Hα-helixtrans-63.6-40.7172.4-84.8-171131.300112A7 M8 C9M5-A7 VanDerWaalsContact C-N 3.35Å; M5-A7 PolarHBondContact O-N 3.26Å; M5-M8 PolarHBondContact O-N 3.39Å; M5-C9 WeakPolarHBondContact O-CB 3.34Å; M5-C9 PolarHBondContact O-N 3.16Å; M5-C9 PolarHBondContact O-SG 3.41Å; M5-C9 VanDerWaalsContact O-SG 3.32Å
6A85.4Confident84Confident62 Ų62103.6 Ų103.651%0.51258%0.575SS.*Hα-helixtrans-62.9-40.5175.800000112.2P2 R3 C9 L10P2-A6 PolarHBondContact O-N 2.94Å; R3-A6 PolarHBondContact O-N 2.73Å; A6-C9 PolarHBondContact O-N 2.95Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 2.93Å
7A86.7Confident83.9Confident64 Ų64101 Ų10153%0.52957%0.566SS.*Hα-helixtrans-65.2-40.4175.800000112.3R3 E4 M5 L10 G11R3-A7 PolarHBondContact O-N 3.5Å; R3-A7 VanDerWaalsContact O-N 3.09Å; E4-A7 PolarHBondContact O-N 3.23Å; M5-A7 VanDerWaalsContact C-N 3.35Å; M5-A7 PolarHBondContact O-N 3.26Å; A7-L10 PolarHBondContact O-N 3.29Å; A7-G11 PolarHBondContact O-N 3.02Å
8M88.3Confident83.6Confident131 Ų131104.7 Ų104.765%0.64557%0.57SS**Hα-helixtrans-64.6-44.7174.4-75.5-174.2-11000112.2E4 M5 L10 G11 L12E4-M8 HydrophobicContact CB-CE 4.28Å; E4-M8 WeakPolarHBondContact O-CG 3.49Å; E4-M8 PolarHBondContact O-N 3.12Å; M5-M8 PolarHBondContact O-N 3.39Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-L10 PolarHBondContact O-N 3.48Å; M8-G11 PolarHBondContact O-N 2.88Å; M8-L12 WeakPolarHBondContact O-CB 3.31Å; M8-L12 PolarHBondContact O-N 3.36Å
9C86.7Confident83.2Confident87 Ų87107.1 Ų107.159%0.58857%0.571SS**Hα-helixtrans-61.3-40.8175.8-720000112.1M5 A6 L12 A13M5-C9 WeakPolarHBondContact O-CB 3.34Å; M5-C9 PolarHBondContact O-N 3.16Å; M5-C9 PolarHBondContact O-SG 3.41Å; M5-C9 VanDerWaalsContact O-SG 3.32Å; A6-C9 PolarHBondContact O-N 2.95Å; C9-L12 PolarHBondContact O-N 2.97Å; C9-A13 WeakPolarHBondContact O-CB 3.28Å; C9-A13 PolarHBondContact O-N 3.35Å
10L90.2Very high82.6Confident97 Ų97111.4 Ų111.451%0.50858%0.579SS.*Hα-helixtrans-65.9-42.9175.9-174.866000111.7A6 A7 M8 L12 A13 H14A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 2.93Å; A7-L10 PolarHBondContact O-N 3.29Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-L10 PolarHBondContact O-N 3.48Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.44Å; L10-A13 PolarHBondContact O-N 3.33Å; L10-H14 WeakPolarHBondContact O-CB 3.14Å; L10-H14 PolarHBondContact O-N 3.45Å
11G90.9Very high81.8Confident40 Ų40110 Ų11041%0.41257%0.572SS.*Hα-helixtrans-59.6-41.1174.700000112.5A7 M8 S15A7-G11 PolarHBondContact O-N 3.02Å; M8-G11 PolarHBondContact O-N 2.88Å; G11-S15 WeakPolarHBondContact O-CB 3.49Å; G11-S15 PolarHBondContact O-N 3.42Å; G11-S15 PolarHBondContact O-OG 3.14Å
12L92.9Very high81.8Confident122 Ų122110 Ų11064%0.63957%0.569SS**Hα-helixtrans-70.6-39.8176.9-160.5123.8000112.3M8 C9 L10 S15 L16M8-L12 WeakPolarHBondContact O-CB 3.31Å; M8-L12 PolarHBondContact O-N 3.36Å; C9-L12 PolarHBondContact O-N 2.97Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.44Å; L12-S15 WeakPolarHBondContact CA-OG 3.24Å; L12-S15 PolarHBondContact O-N 3.34Å; L12-S15 PolarHBondContact O-OG 3.04Å; L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.96Å
13A89.7Confident81Confident53 Ų53112.1 Ų112.144%0.43857%0.567SS.*Hα-helixtrans-63.5-41.7174.300000111.6C9 L10 S17C9-A13 WeakPolarHBondContact O-CB 3.28Å; C9-A13 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 3.33Å; A13-S17 VanDerWaalsContact O-CB 3.22Å; A13-S17 WeakPolarHBondContact O-CB 3.29Å; A13-S17 PolarHBondContact O-N 3.25Å
14H89.7Confident80.2Confident99 Ų99103.6 Ų103.646%0.45854%0.54SS..Hα-helixtrans-66.9-40.9174.7-75.1178.5000112.5L10 S17 R18L10-H14 WeakPolarHBondContact O-CB 3.14Å; L10-H14 PolarHBondContact O-N 3.45Å; H14-S17 PolarHBondContact O-N 3.33Å; H14-R18 VanDerWaalsContact O-CB 3.31Å; H14-R18 WeakPolarHBondContact O-CB 3.29Å; H14-R18 VanDerWaalsContact O-CG 3.26Å; H14-R18 WeakPolarHBondContact O-CG 3.47Å; H14-R18 PolarHBondContact O-N 3.41Å
15S86.6Confident79.3Confident68 Ų68100.6 Ų100.648%0.47654%0.535SS..Hα-helixtrans-66.9-40.9177.970.50000111.6G11 L12 R18 Y19G11-S15 WeakPolarHBondContact O-CB 3.49Å; G11-S15 PolarHBondContact O-N 3.42Å; G11-S15 PolarHBondContact O-OG 3.14Å; L12-S15 WeakPolarHBondContact CA-OG 3.24Å; L12-S15 PolarHBondContact O-N 3.34Å; L12-S15 PolarHBondContact O-OG 3.04Å; S15-R18 PolarHBondContact O-N 2.97Å; S15-Y19 WeakPolarHBondContact O-CB 3.44Å; S15-Y19 PolarHBondContact O-N 3.17Å
16L85.7Confident78.3Confident97 Ų9798 Ų9851%0.50852%0.524SS..Hα-helixtrans-65.2-44.6175.4-167.382.5000111.8L12 Y19 R20L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.96Å; L16-Y19 PolarHBondContact O-N 2.69Å; L16-R20 PolarHBondContact O-N 3.29Å
17S82.1Confident77.1Confident60 Ų60101.3 Ų101.342%0.4253%0.527SS..Hα-helixtrans-62.7-45.4175.9-1790000111.2A13 H14 Y19 R20 L21A13-S17 VanDerWaalsContact O-CB 3.22Å; A13-S17 WeakPolarHBondContact O-CB 3.29Å; A13-S17 PolarHBondContact O-N 3.25Å; H14-S17 PolarHBondContact O-N 3.33Å; S17-Y19 VanDerWaalsContact C-N 3.32Å; S17-Y19 PolarHBondContact O-N 3.34Å; S17-R20 PolarHBondContact O-N 3.28Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 VanDerWaalsContact O-CG 3.29Å; S17-L21 WeakPolarHBondContact O-CG 3.23Å; S17-L21 PolarHBondContact O-N 3.14Å
18R77.9Confident76Confident168 Ų168101.1 Ų101.163%0.63452%0.519SS*.Hα-helixtrans-62.6-37.7173.7-75.5179.4-171.7174.63.3112.2H14 S15 L21 K22H14-R18 VanDerWaalsContact O-CB 3.31Å; H14-R18 WeakPolarHBondContact O-CB 3.29Å; H14-R18 VanDerWaalsContact O-CG 3.26Å; H14-R18 WeakPolarHBondContact O-CG 3.47Å; H14-R18 PolarHBondContact O-N 3.41Å; S15-R18 PolarHBondContact O-N 2.97Å; R18-L21 CarbonylContact O-C 3.59Å; R18-L21 PolarHBondContact O-N 3.42Å; R18-K22 VanDerWaalsContact O-CB 3.3Å; R18-K22 WeakPolarHBondContact O-CB 3.33Å; R18-K22 WeakPolarHBondContact O-CG 3.31Å; R18-K22 PolarHBondContact O-N 3.11Å
19Y76.6Confident75.2Confident149 Ų14995.6 Ų95.658%0.58449%0.492SS*.Hα-helixtrans-62.6-45176.6-178.3-99.5000111S15 L16 S17 K22 F23S15-Y19 WeakPolarHBondContact O-CB 3.44Å; S15-Y19 PolarHBondContact O-N 3.17Å; L16-Y19 PolarHBondContact O-N 2.69Å; S17-Y19 VanDerWaalsContact C-N 3.32Å; S17-Y19 PolarHBondContact O-N 3.34Å; Y19-K22 PolarHBondContact O-N 2.91Å; Y19-F23 HydrophobicContact CD2-CE2 4.36Å; Y19-F23 HydrophobicContact CE1-CE2 4.36Å; Y19-F23 AromaticContact CE2-CE2 3.88Å; Y19-F23 HydrophobicContact CE2-CE2 3.88Å; Y19-F23 AromaticContact CZ-CE2 3.88Å; Y19-F23 WeakPolarHBondContact O-CD2 3.46Å
20R70.7Confident74.9Confident194 Ų19494.9 Ų94.973%0.73249%0.486SS*.Hα-helixtrans-64.8-39.4174.6-72-172.4171.1-175.6-2112.9L16 S17L16-R20 PolarHBondContact O-N 3.29Å; S17-R20 PolarHBondContact O-N 3.28Å
21L65.9Low74.5Confident83 Ų8395.3 Ų95.344%0.43549%0.486SS..Hα-helixtrans-78.6-18.6179-68.5170.5000114S17 R18 F23 S24S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 VanDerWaalsContact O-CG 3.29Å; S17-L21 WeakPolarHBondContact O-CG 3.23Å; S17-L21 PolarHBondContact O-N 3.14Å; R18-L21 CarbonylContact O-C 3.59Å; R18-L21 PolarHBondContact O-N 3.42Å; L21-F23 PolarHBondContact O-N 2.88Å; L21-S24 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-OG 2.89Å
22K60.5Low74.2Confident161 Ų16193.6 Ų93.670%0.747%0.467SS*.Hα-helixtrans-66.5-21.7175.6-87.6174.1-178.8-169.10112.2R18 Y19R18-K22 VanDerWaalsContact O-CB 3.3Å; R18-K22 WeakPolarHBondContact O-CB 3.33Å; R18-K22 WeakPolarHBondContact O-CG 3.31Å; R18-K22 PolarHBondContact O-N 3.11Å; Y19-K22 PolarHBondContact O-N 2.91Å
23F56.7Low73.8Confident151 Ų15188.9 Ų88.966%0.66244%0.444SS*.THydrogen-bonded Turntrans-100.94.2176.2-65.1-77.3000113.3Y19 L21 A25Y19-F23 HydrophobicContact CD2-CE2 4.36Å; Y19-F23 HydrophobicContact CE1-CE2 4.36Å; Y19-F23 AromaticContact CE2-CE2 3.88Å; Y19-F23 HydrophobicContact CE2-CE2 3.88Å; Y19-F23 AromaticContact CZ-CE2 3.88Å; Y19-F23 WeakPolarHBondContact O-CD2 3.46Å; L21-F23 PolarHBondContact O-N 2.88Å; F23-A25 PolarHBondContact O-N 3.39Å
24S58.5Low73.8Confident30 Ų3092.8 Ų92.821%0.2145%0.453CS..  trans-71.5120.2174.462.80000109.5L21 D26 K27L21-S24 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-OG 2.89Å; S24-D26 PolarHBondContact O-N 3.14Å; S24-D26 VanDerWaalsContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 3.36Å
25A60.9Low73.8Confident56 Ų5688.5 Ų88.546%0.46343%0.434SS..Hα-helixtrans-52.3-29.5179.500000113.3F23 K27 V28 D29F23-A25 PolarHBondContact O-N 3.39Å; A25-K27 VanDerWaalsContact C-N 3.28Å; A25-K27 PolarHBondContact O-N 3.43Å; A25-K27 VanDerWaalsContact O-N 3.14Å; A25-V28 WeakPolarHBondContact O-CA 3.45Å; A25-V28 WeakPolarHBondContact O-CB 3.44Å; A25-V28 PolarHBondContact O-N 3.26Å; A25-D29 PolarHBondContact O-N 3.37Å
26D61Low74Confident85 Ų8585.4 Ų85.446%0.45541%0.413SS..Hα-helixtrans-53.4-38.5-178.8-62.1-26.8000114.3S24 V28 T30 R188S24-D26 PolarHBondContact O-N 3.14Å; S24-D26 VanDerWaalsContact O-N 3.07Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-T30 WeakPolarHBondContact O-CG2 3.38Å; D26-T30 PolarHBondContact O-N 3.15Å; D26-R188 IonicContact OD1-CZ 3.49Å; D26-R188 IonicContact OD1-NH1 3.96Å; D26-R188 PolarHBondContact OD1-NH1 3.09Å; D26-R188 IonicContact OD1-NH2 3.58Å; D26-R188 PolarHBondContact OD1-NH2 3.35Å
27K61Low74.3Confident133 Ų13383.2 Ų83.258%0.57841%0.406SS*.Hα-helixtrans-76-26.8179.2-70.2-172.3179.6-175.60112.5S24 A25 T30S24-K27 PolarHBondContact O-N 3.36Å; A25-K27 VanDerWaalsContact C-N 3.28Å; A25-K27 PolarHBondContact O-N 3.43Å; A25-K27 VanDerWaalsContact O-N 3.14Å; K27-T30 PolarHBondContact O-OG1 3.16Å
28V63.8Low74.8Confident59 Ų5983.6 Ų83.636%0.35840%0.402SS..Hα-helixtrans-76.5-38.7-179.3-178.50000109.7A25 D26 M31 I152A25-V28 WeakPolarHBondContact O-CA 3.45Å; A25-V28 WeakPolarHBondContact O-CB 3.44Å; A25-V28 PolarHBondContact O-N 3.26Å; D26-V28 VanDerWaalsContact C-N 3.33Å; V28-M31 PolarHBondContact O-N 3.28Å; V28-I152 HydrophobicContact CG1-CD1 3.22Å; V28-I152 HydrophobicContact CG1-CG1 3.54Å
29D71.4Confident75.5Confident16 Ų1675.8 Ų75.89%0.08637%0.373CS..Hα-helixtrans-61.9-43.8175.1-62.3-17.5000111.2A25 M31 I32 V33 I169 R188A25-D29 PolarHBondContact O-N 3.37Å; D29-M31 PolarHBondContact O-N 3.05Å; D29-M31 VanDerWaalsContact O-N 3.15Å; D29-I32 WeakPolarHBondContact O-CB 3.18Å; D29-I32 PolarHBondContact O-N 2.58Å; D29-V33 WeakPolarHBondContact O-CG2 3.46Å; D29-V33 PolarHBondContact O-N 3.4Å; D29-V33 VanDerWaalsContact O-N 3.12Å; D29-I169 HydrophobicContact CB-CG2 4.32Å; D29-R188 IonicContact OD2-CZ 2.62Å; D29-R188 IonicContact OD2-NH2 3.42Å; D29-R188 PolarHBondContact OD2-NH2 3.47Å
30T79.4Confident76.3Confident72 Ų7271.3 Ų71.344%0.44236%0.359SS..Hα-helixtrans-58-33.6179.358.90000113.9D26 K27 V33 Q34D26-T30 WeakPolarHBondContact O-CG2 3.38Å; D26-T30 PolarHBondContact O-N 3.15Å; K27-T30 PolarHBondContact O-OG1 3.16Å; T30-V33 PolarHBondContact O-N 3.04Å; T30-Q34 WeakPolarHBondContact O-CG 3.35Å; T30-Q34 PolarHBondContact O-N 3.44Å
31M82.4Confident77.4Confident105 Ų10566 Ų6652%0.51735%0.345SS..Hα-helixtrans-69.5-36178.1-67.5-172.173.400112.3V28 D29 A35V28-M31 PolarHBondContact O-N 3.28Å; D29-M31 PolarHBondContact O-N 3.05Å; D29-M31 VanDerWaalsContact O-N 3.15Å; M31-A35 VanDerWaalsContact O-CB 3.32Å; M31-A35 WeakPolarHBondContact O-CB 3.42Å; M31-A35 PolarHBondContact O-N 3.03Å
32I84.8Confident78.7Confident4 Ų463.2 Ų63.22%0.02133%0.331CS..Hα-helixtrans-64.1-46.4174.2-69.4173.3000109.4D29 Q34 A35 I36 L145 M149 I152 A166 I169D29-I32 WeakPolarHBondContact O-CB 3.18Å; D29-I32 PolarHBondContact O-N 2.58Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 2.89Å; I32-A35 PolarHBondContact O-N 3.41Å; I32-A35 VanDerWaalsContact O-N 3.16Å; I32-I36 WeakPolarHBondContact O-CG2 3.41Å; I32-I36 PolarHBondContact O-N 3.17Å; I32-L145 HydrophobicContact CG2-CD1 4.04Å; I32-M149 HydrophobicContact CD1-CE 3.78Å; I32-M149 HydrophobicContact CD1-SD 4.24Å; I32-M149 HydrophobicContact CG1-CE 4.46Å; I32-M149 HydrophobicContact CG2-CE 3.63Å; I32-I152 HydrophobicContact CD1-CD1 3.36Å; I32-I152 HydrophobicContact CG1-CD1 4.07Å; I32-A166 HydrophobicContact CG2-CB 4.01Å; I32-I169 HydrophobicContact CD1-CD1 4.46Å
33V85.4Confident80.2Confident24 Ų2458.3 Ų58.315%0.14531%0.313CS..Hα-helixtrans-59.7-44.5-179.8-178.70000111.1D29 T30 I36 S37 A170 D173D29-V33 WeakPolarHBondContact O-CG2 3.46Å; D29-V33 PolarHBondContact O-N 3.4Å; D29-V33 VanDerWaalsContact O-N 3.12Å; T30-V33 PolarHBondContact O-N 3.04Å; V33-I36 WeakPolarHBondContact O-CG2 3.33Å; V33-S37 PolarHBondContact O-N 3.31Å; V33-S37 VanDerWaalsContact O-N 3.11Å; V33-S37 PolarHBondContact O-OG 2.8Å; V33-A170 HydrophobicContact CB-CB 4.4Å; V33-A170 HydrophobicContact CG1-CB 3.98Å; V33-A170 HydrophobicContact CG2-CB 4.05Å; V33-D173 HydrophobicContact CG2-CB 4.48Å
34Q88.2Confident82Confident134 Ų13457.4 Ų57.463%0.62631%0.308SS*.Hα-helixtrans-65.3-39.8176-65.8-57.7-50.800112.3T30 I32 S37 L38T30-Q34 WeakPolarHBondContact O-CG 3.35Å; T30-Q34 PolarHBondContact O-N 3.44Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 2.89Å; Q34-S37 PolarHBondContact O-N 2.88Å; Q34-L38 WeakPolarHBondContact O-CB 3.33Å; Q34-L38 PolarHBondContact O-N 3.4Å
35A90.7Very high83.7Confident9 Ų960 Ų607%0.07432%0.317CS..Hα-helixtrans-66.1-40.5179.500000112.7M31 I32 L38 L39 L141 L145M31-A35 VanDerWaalsContact O-CB 3.32Å; M31-A35 WeakPolarHBondContact O-CB 3.42Å; M31-A35 PolarHBondContact O-N 3.03Å; I32-A35 PolarHBondContact O-N 3.41Å; I32-A35 VanDerWaalsContact O-N 3.16Å; A35-L38 PolarHBondContact O-N 3.31Å; A35-L39 WeakPolarHBondContact O-CB 3.31Å; A35-L39 PolarHBondContact O-N 3.43Å; A35-L141 HydrophobicContact CB-CD1 4.45Å; A35-L145 HydrophobicContact CB-CD1 4Å
36I91.1Very high85.2Confident4 Ų458.1 Ų58.12%0.02130%0.299CS..Hα-helixtrans-69.9-40176.8-170.366.2000111.7I32 V33 L38 L39 D40 L145 L163 A166 R167 A170I32-I36 WeakPolarHBondContact O-CG2 3.41Å; I32-I36 PolarHBondContact O-N 3.17Å; V33-I36 WeakPolarHBondContact O-CG2 3.33Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.07Å; I36-L39 HydrophobicContact CD1-CD2 4.17Å; I36-L39 WeakPolarHBondContact O-CB 3.27Å; I36-L39 PolarHBondContact O-N 2.98Å; I36-D40 PolarHBondContact O-N 3.5Å; I36-L145 HydrophobicContact CD1-CD2 4.08Å; I36-L163 HydrophobicContact CD1-CD2 4.18Å; I36-A166 HydrophobicContact CD1-CB 4.42Å; I36-A166 HydrophobicContact CG1-CB 4.5Å; I36-R167 HydrophobicContact CD1-CG 4.24Å; I36-R167 HydrophobicContact CG1-CG 3.97Å; I36-A170 HydrophobicContact CG2-CB 3.95Å
37S91.4Very high86.7Confident51 Ų5158.1 Ų58.136%0.35730%0.299SS..Hα-helixtrans-61.1-44173.8-64.80000111.5V33 Q34 L39 D40 D41V33-S37 PolarHBondContact O-N 3.31Å; V33-S37 VanDerWaalsContact O-N 3.11Å; V33-S37 PolarHBondContact O-OG 2.8Å; Q34-S37 PolarHBondContact O-N 2.88Å; S37-L39 VanDerWaalsContact C-N 3.32Å; S37-L39 PolarHBondContact O-N 3.32Å; S37-D40 PolarHBondContact O-N 2.91Å; S37-D41 PolarHBondContact O-N 3.21Å
38L92.8Very high88.3Confident67 Ų6756.3 Ų56.335%0.35130%0.296SS..Hα-helixtrans-61-41.5174.8-17961.6000111.8Q34 A35 I36 D41 L42 Y137 L141Q34-L38 WeakPolarHBondContact O-CB 3.33Å; Q34-L38 PolarHBondContact O-N 3.4Å; A35-L38 PolarHBondContact O-N 3.31Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.07Å; L38-D41 PolarHBondContact O-N 3.24Å; L38-L42 HydrophobicContact CD1-CG 4.28Å; L38-L42 HydrophobicContact CG-CD1 4.33Å; L38-L42 HydrophobicContact CG-CG 4.37Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.89Å; L38-Y137 HydrophobicContact CD2-CE1 4.41Å; L38-L141 HydrophobicContact CB-CD2 4.24Å; L38-L141 HydrophobicContact CD2-CD1 4.47Å; L38-L141 HydrophobicContact CD2-CD2 3.83Å; L38-L141 HydrophobicContact CG-CD2 3.87Å
39L92.8Very high89.7Confident5 Ų557.9 Ų57.93%0.02630%0.296CS..Hα-helixtrans-61.1-45.2177.9-169.973.2000111.6A35 I36 S37 D41 L42 D43 R138 L141 Y142 L163A35-L39 WeakPolarHBondContact O-CB 3.31Å; A35-L39 PolarHBondContact O-N 3.43Å; I36-L39 HydrophobicContact CD1-CD2 4.17Å; I36-L39 WeakPolarHBondContact O-CB 3.27Å; I36-L39 PolarHBondContact O-N 2.98Å; S37-L39 VanDerWaalsContact C-N 3.32Å; S37-L39 PolarHBondContact O-N 3.32Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.43Å; L39-L42 PolarHBondContact O-N 3.44Å; L39-D43 PolarHBondContact O-N 3.19Å; L39-D43 VanDerWaalsContact O-N 3.09Å; L39-R138 HydrophobicContact CD1-CG 3.74Å; L39-L141 HydrophobicContact CB-CD2 4.25Å; L39-L141 HydrophobicContact CD1-CD2 4.16Å; L39-Y142 HydrophobicContact CD2-CD2 4.31Å; L39-L163 HydrophobicContact CD2-CD2 4.09Å
40D92.1Very high90.7Very high54 Ų5457.4 Ų57.429%0.28929%0.293SS..Hα-helixtrans-66.7-33.8178.1-70.5-26.5000112I36 S37 K44 R167I36-D40 PolarHBondContact O-N 3.5Å; S37-D40 PolarHBondContact O-N 2.91Å; D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.33Å; D40-R167 IonicContact OD1-NH2 3.13Å; D40-R167 PolarHBondContact OD1-NH2 3.5Å
41D94.1Very high91.3Very high82 Ų8258.1 Ų58.144%0.43929%0.293SS..Hα-helixtrans-72.4-41.8175.8-72-20.1000111.8S37 L38 L39 D43 K44 E45S37-D41 PolarHBondContact O-N 3.21Å; L38-D41 PolarHBondContact O-N 3.24Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.43Å; D41-D43 VanDerWaalsContact C-N 3.28Å; D41-D43 PolarHBondContact O-N 2.88Å; D41-K44 PolarHBondContact O-N 2.83Å; D41-K44 IonicContact OD1-NZ 3.72Å; D41-E45 WeakPolarHBondContact O-CG 3.08Å; D41-E45 PolarHBondContact O-N 3.11Å
42L94.4Very high91.8Very high25 Ų2560 Ų6013%0.13129%0.294CS..Hα-helixtrans-57.8-41.7173.2-72.8178.8000111.4L38 L39 K44 E45 L46 I134 Y137 L141L38-L42 HydrophobicContact CD1-CG 4.28Å; L38-L42 HydrophobicContact CG-CD1 4.33Å; L38-L42 HydrophobicContact CG-CG 4.37Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.89Å; L39-L42 PolarHBondContact O-N 3.44Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.4Å; L42-E45 PolarHBondContact O-N 2.99Å; L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 PolarHBondContact O-N 3.42Å; L42-I134 HydrophobicContact CD2-CG2 4.1Å; L42-Y137 HydrophobicContact CD1-CD1 3.74Å; L42-Y137 HydrophobicContact CD1-CE1 3.84Å; L42-L141 HydrophobicContact CD1-CD2 3.95Å
43D92.3Very high92.1Very high59 Ų5959.8 Ų59.832%0.31629%0.293SS..Hα-helixtrans-60.9-38.9178.3-84.4-21.8000112.8L39 D41 N47 R138L39-D43 PolarHBondContact O-N 3.19Å; L39-D43 VanDerWaalsContact O-N 3.09Å; D41-D43 VanDerWaalsContact C-N 3.28Å; D41-D43 PolarHBondContact O-N 2.88Å; D43-N47 PolarHBondContact O-N 3.32Å; D43-R138 IonicContact OD1-CZ 3.82Å; D43-R138 VanDerWaalsContact OD1-CZ 3.27Å; D43-R138 IonicContact OD1-NE 2.76Å; D43-R138 PolarHBondContact OD1-NE 2.69Å; D43-R138 IonicContact OD1-NH2 2.98Å; D43-R138 PolarHBondContact OD1-NH2 2.98Å; D43-R138 VanDerWaalsContact OD1-NH2 3.13Å; D43-R138 IonicContact OD2-CZ 3.44Å; D43-R138 IonicContact OD2-NE 2.95Å; D43-R138 IonicContact OD2-NH2 3.27Å; D43-R138 PolarHBondContact OD2-NH2 3.49Å
44K93.9Very high92.4Very high131 Ų13160.6 Ų60.657%0.5729%0.294SS*.Hα-helixtrans-70.5-47.6177.2-66.5169.1-164.8155.70111.7D40 D41 L42 N47 N48D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.33Å; D41-K44 PolarHBondContact O-N 2.83Å; D41-K44 IonicContact OD1-NZ 3.72Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.4Å; K44-N47 PolarHBondContact O-N 3.05Å; K44-N48 PolarHBondContact O-N 3.48Å
45E93Very high92.5Very high85 Ų8559.4 Ų59.440%0.39729%0.288SS..Hα-helixtrans-66.4-40-178.9-68.1-53.9138.800111.6D41 L42 N47 N48 Y49D41-E45 WeakPolarHBondContact O-CG 3.08Å; D41-E45 PolarHBondContact O-N 3.11Å; L42-E45 PolarHBondContact O-N 2.99Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.25Å; E45-N48 WeakPolarHBondContact O-CB 3.46Å; E45-N48 PolarHBondContact O-N 3.44Å; E45-N48 VanDerWaalsContact O-N 3.14Å; E45-Y49 HydrophobicContact CB-CD2 4.38Å; E45-Y49 HydrophobicContact CB-CE2 4.08Å; E45-Y49 WeakPolarHBondContact O-CD2 3.29Å; E45-Y49 PolarHBondContact O-N 2.93Å
46L93.8Very high92.5Very high16 Ų1663.6 Ų63.68%0.08430%0.302CS..Hα-helixtrans-58.8-46.5176.3-160.2173.5000110.1L42 N48 Y49 I50 V131 I134L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 PolarHBondContact O-N 3.42Å; L46-N48 PolarHBondContact O-N 3.07Å; L46-Y49 PolarHBondContact O-N 2.83Å; L46-I50 HydrophobicContact CD2-CD1 3.14Å; L46-I50 HydrophobicContact CD2-CG1 3.88Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.65Å; L46-V131 HydrophobicContact CD2-CG1 4.11Å; L46-I134 HydrophobicContact CB-CG2 4.49Å; L46-I134 HydrophobicContact CD1-CG2 4.36Å; L46-I134 HydrophobicContact CG-CG2 4.36Å
47N92.6Very high92.5Very high86 Ų8663.5 Ų63.546%0.4630%0.301SS..Hα-helixtrans-63-41.2175.4-171.852000112.6D43 K44 E45 I50 M51D43-N47 PolarHBondContact O-N 3.32Å; K44-N47 PolarHBondContact O-N 3.05Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.25Å; N47-I50 PolarHBondContact O-N 2.95Å; N47-M51 VanDerWaalsContact O-CG 3.32Å; N47-M51 WeakPolarHBondContact O-CG 3.33Å; N47-M51 PolarHBondContact O-N 3.3Å
48N93.8Very high92.4Very high95 Ų9562.1 Ų62.151%0.50830%0.295SS..Hα-helixtrans-62.6-46.7177.6-166.45.6000111.6K44 E45 L46 I50 M51 R52K44-N48 PolarHBondContact O-N 3.48Å; E45-N48 WeakPolarHBondContact O-CB 3.46Å; E45-N48 PolarHBondContact O-N 3.44Å; E45-N48 VanDerWaalsContact O-N 3.14Å; L46-N48 PolarHBondContact O-N 3.07Å; N48-I50 PolarHBondContact O-N 3.49Å; N48-M51 PolarHBondContact O-N 3.37Å; N48-R52 WeakPolarHBondContact O-CB 3.39Å; N48-R52 PolarHBondContact O-N 3.12Å
49Y93.6Very high92.2Very high92 Ų9267.9 Ų67.936%0.36131%0.312SS..Hα-helixtrans-63-41.4177.2-69.6-47000112.6E45 L46 R52 C53 L127 I134E45-Y49 HydrophobicContact CB-CD2 4.38Å; E45-Y49 HydrophobicContact CB-CE2 4.08Å; E45-Y49 WeakPolarHBondContact O-CD2 3.29Å; E45-Y49 PolarHBondContact O-N 2.93Å; L46-Y49 PolarHBondContact O-N 2.83Å; Y49-R52 WeakPolarHBondContact O-CB 3.46Å; Y49-R52 PolarHBondContact O-N 2.86Å; Y49-C53 PolarHBondContact O-N 3.36Å; Y49-C53 PolarHBondContact O-SG 3.15Å; Y49-L127 HydrophobicContact CD1-CD1 4.32Å; Y49-I134 HydrophobicContact CD2-CD1 4.14Å; Y49-I134 HydrophobicContact CE2-CD1 4.05Å
50I91.9Very high92Very high5 Ų568 Ų683%0.02631%0.312CS..Hα-helixtrans-59.5-52174.5-69.7158000110.8L46 N47 N48 R52 C53 R54 N71 V131L46-I50 HydrophobicContact CD2-CD1 3.14Å; L46-I50 HydrophobicContact CD2-CG1 3.88Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.65Å; N47-I50 PolarHBondContact O-N 2.95Å; N48-I50 PolarHBondContact O-N 3.49Å; I50-R52 PolarHBondContact O-N 3.41Å; I50-C53 WeakPolarHBondContact O-CB 3.44Å; I50-C53 PolarHBondContact O-N 3.1Å; I50-C53 VanDerWaalsContact O-N 3.07Å; I50-R54 HydrophobicContact CG2-CG 4.34Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.44Å; I50-N71 HydrophobicContact CB-CB 4.44Å; I50-N71 HydrophobicContact CD1-CB 3.55Å; I50-N71 HydrophobicContact CG1-CB 4.15Å; I50-N71 HydrophobicContact CG2-CB 3.54Å; I50-N71 VanDerWaalsContact CG2-CG 3.43Å; I50-V131 HydrophobicContact CG1-CG1 3.92Å
51M92.2Very high91.8Very high88 Ų8865.4 Ų65.443%0.43330%0.298SS..Hα-helixtrans-59.4-38.6-178.2-69.9-58.1-65.800110.1N47 N48 R54 E55N47-M51 VanDerWaalsContact O-CG 3.32Å; N47-M51 WeakPolarHBondContact O-CG 3.33Å; N47-M51 PolarHBondContact O-N 3.3Å; N48-M51 PolarHBondContact O-N 3.37Å; M51-R54 PolarHBondContact O-N 3.19Å; M51-E55 WeakPolarHBondContact O-CG 3.43Å; M51-E55 PolarHBondContact O-N 2.98Å
52R93Very high91.6Very high143 Ų14364 Ų6454%0.5429%0.294SS..Hα-helixtrans-63.3-43.5173.9-167.762.6178.8160.91.5113N48 Y49 I50 E55 W56N48-R52 WeakPolarHBondContact O-CB 3.39Å; N48-R52 PolarHBondContact O-N 3.12Å; Y49-R52 WeakPolarHBondContact O-CB 3.46Å; Y49-R52 PolarHBondContact O-N 2.86Å; I50-R52 PolarHBondContact O-N 3.41Å; R52-E55 IonicContact NH1-OE2 2.67Å; R52-E55 PolarHBondContact NH1-OE2 3.3Å; R52-E55 PolarHBondContact O-N 3.31Å; R52-W56 WeakPolarHBondContact O-CB 3.29Å; R52-W56 PolarHBondContact O-N 2.89Å
53C91.5Very high91.3Very high0 Ų065.8 Ų65.80%030%0.302CS..Hα-helixtrans-58.7-45.3173.6-71.50000111.8Y49 I50 W56 Y57 L127Y49-C53 PolarHBondContact O-N 3.36Å; Y49-C53 PolarHBondContact O-SG 3.15Å; I50-C53 WeakPolarHBondContact O-CB 3.44Å; I50-C53 PolarHBondContact O-N 3.1Å; I50-C53 VanDerWaalsContact O-N 3.07Å; C53-W56 PolarHBondContact O-N 2.91Å; C53-Y57 WeakPolarHBondContact O-CB 3.48Å; C53-Y57 PolarHBondContact O-N 3.14Å; C53-L127 WeakPolarHBondContact SG-CD2 3.49Å; C53-L127 WeakPolarHBondContact SG-CG 3.47Å
54R90.9Very high91Very high42 Ų4263 Ų6316%0.15829%0.286CS..Hα-helixtrans-64.8-41.8-178.6-69178.483118.49.1111.9I50 M51 G58 G65 I68 N71 Y74I50-R54 HydrophobicContact CG2-CG 4.34Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.44Å; M51-R54 PolarHBondContact O-N 3.19Å; R54-G58 VanDerWaalsContact O-CA 3.29Å; R54-G58 WeakPolarHBondContact O-CA 3.43Å; R54-G58 PolarHBondContact O-N 2.96Å; R54-G65 PolarHBondContact NH2-O 3.27Å; R54-I68 PolarHBondContact NH1-O 3.39Å; R54-I68 PolarHBondContact NH2-O 3.43Å; R54-N71 PolarHBondContact NH1-OD1 3.45Å; R54-Y74 HydrophobicContact CG-CD1 4.01Å; R54-Y74 HydrophobicContact CG-CE1 3.78Å
55E90.9Very high90.6Very high109 Ų10958 Ų5851%0.50927%0.272SS..Hα-helixtrans-65.5-44.6174.8-72.4176177.500111.7M51 R52 G58M51-E55 WeakPolarHBondContact O-CG 3.43Å; M51-E55 PolarHBondContact O-N 2.98Å; R52-E55 IonicContact NH1-OE2 2.67Å; R52-E55 PolarHBondContact NH1-OE2 3.3Å; R52-E55 PolarHBondContact O-N 3.31Å; E55-G58 PolarHBondContact O-N 3.41Å
56W90.6Very high90.3Very high97 Ų9762.5 Ų62.537%0.36729%0.29SS..Hα-helixtrans-66.9-48.3-176.3-164-0.4000111.5R52 C53 G58 N123 I124 L127R52-W56 WeakPolarHBondContact O-CB 3.29Å; R52-W56 PolarHBondContact O-N 2.89Å; C53-W56 PolarHBondContact O-N 2.91Å; W56-G58 VanDerWaalsContact C-N 3.31Å; W56-N123 HydrophobicContact CH2-CB 3.9Å; W56-N123 HydrophobicContact CZ2-CB 4.34Å; W56-I124 HydrophobicContact CD2-CD1 4.16Å; W56-I124 HydrophobicContact CD2-CG1 3.54Å; W56-I124 HydrophobicContact CE3-CG1 3.86Å; W56-I124 HydrophobicContact CG-CD1 4Å; W56-I124 HydrophobicContact CG-CG1 3.85Å; W56-I124 HydrophobicContact CH2-CG1 4.45Å; W56-I124 HydrophobicContact CZ2-CG1 4.17Å; W56-I124 HydrophobicContact CZ3-CG1 4.29Å; W56-L127 HydrophobicContact CE3-CD2 4.07Å; W56-L127 HydrophobicContact CZ3-CD2 4.19Å
57Y90.5Very high90Very high2 Ų263.1 Ų63.11%0.00829%0.294CS..Hα-helixtrans-74.7-22.1175.9-166.6-99000113C53 W59 H60 F61 L64 Y74 L78 G82 I124C53-Y57 WeakPolarHBondContact O-CB 3.48Å; C53-Y57 PolarHBondContact O-N 3.14Å; Y57-W59 PolarHBondContact O-N 3.14Å; Y57-W59 VanDerWaalsContact O-N 3.15Å; Y57-H60 AromaticContact CE2-CD2 3.9Å; Y57-H60 AromaticContact CZ-CD2 3.87Å; Y57-H60 WeakPolarHBondContact O-CA 3.44Å; Y57-H60 WeakPolarHBondContact O-CB 3.41Å; Y57-H60 PolarHBondContact O-N 2.92Å; Y57-F61 HydrophobicContact CD1-CB 4.13Å; Y57-F61 HydrophobicContact CE1-CB 3.55Å; Y57-F61 HydrophobicContact CE1-CD1 4.18Å; Y57-F61 HydrophobicContact CE1-CG 4.38Å; Y57-F61 PolarHBondContact O-N 3.33Å; Y57-L64 HydrophobicContact CD1-CD2 4.16Å; Y57-L64 HydrophobicContact CE1-CD2 3.73Å; Y57-Y74 WeakPolarHBondContact CD1-OH 3.48Å; Y57-L78 HydrophobicContact CD1-CD1 3.49Å; Y57-L78 VanDerWaalsContact CD1-CD1 3.49Å; Y57-L78 HydrophobicContact CD1-CD2 4.25Å; Y57-L78 HydrophobicContact CD1-CG 4.39Å; Y57-L78 HydrophobicContact CD2-CD1 4.03Å; Y57-L78 HydrophobicContact CD2-CD2 3.77Å; Y57-L78 HydrophobicContact CD2-CG 4.13Å; Y57-L78 HydrophobicContact CE1-CD1 3.26Å; Y57-L78 HydrophobicContact CE1-CG 4.34Å; Y57-L78 HydrophobicContact CE2-CD1 3.85Å; Y57-L78 HydrophobicContact CE2-CD2 4.23Å; Y57-L78 HydrophobicContact CE2-CG 4.08Å; Y57-L78 HydrophobicContact CG-CD1 3.84Å; Y57-L78 HydrophobicContact CG-CD2 3.75Å; Y57-L78 HydrophobicContact CG-CG 4.25Å; Y57-L78 VanDerWaalsContact CZ-CD1 3.45Å; Y57-G82 PolarHBondContact OH-O 3.04Å; Y57-I124 HydrophobicContact CD2-CD1 4.36Å; Y57-I124 HydrophobicContact CD2-CG2 4.1Å
58G89.3Confident89.7Confident21 Ų2159.3 Ų59.322%0.21627%0.273CS..Hα-helixtrans-59.3-24.1176.300000113.9R54 E55 W56 H60 P62R54-G58 VanDerWaalsContact O-CA 3.29Å; R54-G58 WeakPolarHBondContact O-CA 3.43Å; R54-G58 PolarHBondContact O-N 2.96Å; E55-G58 PolarHBondContact O-N 3.41Å; W56-G58 VanDerWaalsContact C-N 3.31Å; G58-H60 VanDerWaalsContact C-N 3.31Å; G58-P62 WeakPolarHBondContact O-CA 3.44Å; G58-P62 VanDerWaalsContact O-CB 3.29Å; G58-P62 WeakPolarHBondContact O-CB 3.38Å; G58-P62 VanDerWaalsContact O-CD 3.27Å; G58-P62 WeakPolarHBondContact O-CD 3.26Å
59W89.1Confident89.3Confident188 Ų18859.9 Ų59.971%0.71229%0.285SS*.THydrogen-bonded Turntrans-65.1-35.8170.6-70.293.4000112.5Y57 G113 T114Y57-W59 PolarHBondContact O-N 3.14Å; Y57-W59 VanDerWaalsContact O-N 3.15Å; W59-G113 WeakPolarHBondContact O-CA 3.32Å; W59-T114 PolarHBondContact O-N 2.93Å; W59-T114 PolarHBondContact O-OG1 3.32Å; W59-T114 VanDerWaalsContact O-OG1 3.14Å
60H88.1Confident89Confident7 Ų759.1 Ų59.13%0.03229%0.287CS..THydrogen-bonded Turntrans-86.9-40.3179.9-173.563.3000113Y57 G58 D83 R84 G113 T114 V116Y57-H60 AromaticContact CE2-CD2 3.9Å; Y57-H60 AromaticContact CZ-CD2 3.87Å; Y57-H60 WeakPolarHBondContact O-CA 3.44Å; Y57-H60 WeakPolarHBondContact O-CB 3.41Å; Y57-H60 PolarHBondContact O-N 2.92Å; G58-H60 VanDerWaalsContact C-N 3.31Å; H60-D83 IonicContact CE1-OD1 3.11Å; H60-D83 PolarHBondContact CE1-OD1 3.41Å; H60-D83 IonicContact NE2-OD1 2.69Å; H60-D83 PolarHBondContact NE2-OD1 2.97Å; H60-D83 VanDerWaalsContact NE2-OD1 3.11Å; H60-R84 WeakPolarHBondContact NE2-CB 3.38Å; H60-R84 PolarHBondContact NE2-N 3.39Å; H60-G113 VanDerWaalsContact O-CA 3.31Å; H60-G113 WeakPolarHBondContact O-CA 3.35Å; H60-T114 PolarHBondContact ND1-O 2.77Å; H60-V116 HydrophobicContact CB-CG2 3.8Å
61F89.4Confident88.8Confident0 Ų060.9 Ų60.90%030%0.297CS..  trans-145.484.1179.4-168.4-165.3000111.6Y57 E63 L64 Y87 V104 A107 A108 S111Y57-F61 HydrophobicContact CD1-CB 4.13Å; Y57-F61 HydrophobicContact CE1-CB 3.55Å; Y57-F61 HydrophobicContact CE1-CD1 4.18Å; Y57-F61 HydrophobicContact CE1-CG 4.38Å; Y57-F61 PolarHBondContact O-N 3.33Å; F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 HydrophobicContact CD2-CB 4.3Å; F61-E63 HydrophobicContact CE2-CB 3.87Å; F61-E63 PolarHBondContact O-N 2.91Å; F61-L64 HydrophobicContact CD1-CB 3.6Å; F61-L64 HydrophobicContact CD1-CD1 4.36Å; F61-L64 HydrophobicContact CD1-CD2 4.1Å; F61-L64 HydrophobicContact CD1-CG 4.24Å; F61-L64 HydrophobicContact CD2-CB 4.5Å; F61-L64 HydrophobicContact CE1-CB 3.79Å; F61-L64 HydrophobicContact CE1-CD1 3.97Å; F61-L64 HydrophobicContact CE1-CG 4.31Å; F61-L64 HydrophobicContact CG-CB 3.97Å; F61-L64 HydrophobicContact CZ-CB 4.34Å; F61-Y87 HydrophobicContact CD1-CE2 4.32Å; F61-Y87 HydrophobicContact CE1-CE1 4.44Å; F61-Y87 HydrophobicContact CE1-CE2 4.46Å; F61-V104 HydrophobicContact CE1-CG1 4.16Å; F61-V104 HydrophobicContact CZ-CG1 4.49Å; F61-A107 HydrophobicContact CE2-CB 4.01Å; F61-A107 HydrophobicContact CZ-CB 3.89Å; F61-A108 HydrophobicContact CE1-CB 4.36Å; F61-A108 HydrophobicContact CZ-CB 4.07Å; F61-S111 WeakPolarHBondContact CD2-OG 3.32Å
62P88.6Confident88.6Confident53 Ų5359.3 Ų59.334%0.34429%0.29SS..THydrogen-bonded Turntrans-70.2-26.4-174.624.3-32.1000113.7G58G58-P62 WeakPolarHBondContact O-CA 3.44Å; G58-P62 VanDerWaalsContact O-CB 3.29Å; G58-P62 WeakPolarHBondContact O-CB 3.38Å; G58-P62 VanDerWaalsContact O-CD 3.27Å; G58-P62 WeakPolarHBondContact O-CD 3.26Å
63E88.3Confident88.3Confident62 Ų6254 Ų5429%0.2927%0.273SS..THydrogen-bonded Turntrans-74.4-29.2-175.6-57.3-167.8172.600112.8F61 G65 K66 I67 A107F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 HydrophobicContact CD2-CB 4.3Å; F61-E63 HydrophobicContact CE2-CB 3.87Å; F61-E63 PolarHBondContact O-N 2.91Å; E63-G65 PolarHBondContact O-N 2.91Å; E63-K66 WeakPolarHBondContact O-CB 3.32Å; E63-K66 PolarHBondContact O-N 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 3.18Å; E63-A107 HydrophobicContact CB-CB 4.16Å; E63-A107 VanDerWaalsContact OE2-CB 3.29Å; E63-A107 WeakPolarHBondContact OE2-CB 3.36Å
64L86.9Confident88.2Confident0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-56-38.7176.6-171.367.3000112.1Y57 F61 K66 I67 I68 Y74 L78 Y87 V104Y57-L64 HydrophobicContact CD1-CD2 4.16Å; Y57-L64 HydrophobicContact CE1-CD2 3.73Å; F61-L64 HydrophobicContact CD1-CB 3.6Å; F61-L64 HydrophobicContact CD1-CD1 4.36Å; F61-L64 HydrophobicContact CD1-CD2 4.1Å; F61-L64 HydrophobicContact CD1-CG 4.24Å; F61-L64 HydrophobicContact CD2-CB 4.5Å; F61-L64 HydrophobicContact CE1-CB 3.79Å; F61-L64 HydrophobicContact CE1-CD1 3.97Å; F61-L64 HydrophobicContact CE1-CG 4.31Å; F61-L64 HydrophobicContact CG-CB 3.97Å; F61-L64 HydrophobicContact CZ-CB 4.34Å; L64-K66 PolarHBondContact O-N 3.49Å; L64-I67 PolarHBondContact O-N 3.48Å; L64-I68 HydrophobicContact CD1-CD1 3.62Å; L64-I68 HydrophobicContact CD1-CG1 4.24Å; L64-I68 HydrophobicContact CG-CD1 4.2Å; L64-I68 PolarHBondContact O-N 3Å; L64-Y74 HydrophobicContact CB-CE2 4.15Å; L64-Y74 HydrophobicContact CD2-CD2 4.19Å; L64-Y74 HydrophobicContact CD2-CE2 3.57Å; L64-Y74 HydrophobicContact CG-CD2 4.09Å; L64-Y74 HydrophobicContact CG-CE2 3.61Å; L64-L78 HydrophobicContact CD2-CD1 3.57Å; L64-Y87 HydrophobicContact CD1-CE1 4.38Å; L64-Y87 WeakPolarHBondContact CD2-OH 3.49Å; L64-V104 HydrophobicContact CD1-CG1 3.72Å; L64-V104 HydrophobicContact CD1-CG2 3.97Å
65G84.9Confident88.2Confident26 Ų2652 Ų5227%0.26827%0.266SS..Hα-helixtrans-70.9-11.4177.200000114.3R54 E63R54-G65 PolarHBondContact NH2-O 3.27Å; E63-G65 PolarHBondContact O-N 2.91Å
66K86.1Confident88Confident180 Ų18050.7 Ų50.778%0.78326%0.258SS*.Hα-helixtrans-93.6-35.5173.1-65179.6-177.7172.60111.7E63 L64E63-K66 WeakPolarHBondContact O-CB 3.32Å; E63-K66 PolarHBondContact O-N 3.27Å; L64-K66 PolarHBondContact O-N 3.49Å
67I87.3Confident87.8Confident30 Ų3046.1 Ų46.115%0.15424%0.241CC..Hα-helixtrans-74.2-47.4-178.1-60.7164.5000110.4E63 L64 V100 E103 V104 A107E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 3.18Å; L64-I67 PolarHBondContact O-N 3.48Å; I67-V100 HydrophobicContact CG2-CG1 3.66Å; I67-E103 HydrophobicContact CD1-CG 4.06Å; I67-E103 HydrophobicContact CG1-CG 4.18Å; I67-E103 HydrophobicContact CG2-CB 4.43Å; I67-E103 HydrophobicContact CG2-CG 4.35Å; I67-V104 HydrophobicContact CB-CG2 4.31Å; I67-V104 HydrophobicContact CD1-CG2 4.14Å; I67-V104 HydrophobicContact CG2-CG2 3.7Å; I67-A107 HydrophobicContact CD1-CB 3.64Å
68I86.2Confident87.7Confident5 Ų546 Ų463%0.02624%0.24CC..  trans-94.9107.4-178-54.1177.9000109.7R54 L64 D70 T73 Y74 C77 L96R54-I68 PolarHBondContact NH1-O 3.39Å; R54-I68 PolarHBondContact NH2-O 3.43Å; L64-I68 HydrophobicContact CD1-CD1 3.62Å; L64-I68 HydrophobicContact CD1-CG1 4.24Å; L64-I68 HydrophobicContact CG-CD1 4.2Å; L64-I68 PolarHBondContact O-N 3Å; I68-D70 WeakPolarHBondContact CG2-O 3.38Å; I68-T73 HydrophobicContact CG2-CG2 4.48Å; I68-Y74 HydrophobicContact CB-CD2 4.3Å; I68-C77 HydrophobicContact CD1-CB 4.3Å; I68-L96 HydrophobicContact CD1-CD1 4.09Å; I68-L96 HydrophobicContact CD1-CD2 4.29Å; I68-L96 HydrophobicContact CG1-CD2 4.37Å
69S85Confident87.5Confident108 Ų10849 Ų4976%0.75525%0.249SC*.  trans-77.7-35.3174.559.20000112.7
70D87.9Confident87.3Confident76 Ų7645.6 Ų45.641%0.40624%0.239SC..  trans-76.3129-177.8-178.650.4000112.5I68 T73 Y74I68-D70 WeakPolarHBondContact CG2-O 3.38Å; D70-T73 WeakPolarHBondContact OD2-CB 3.35Å; D70-T73 PolarHBondContact OD2-N 3.24Å; D70-T73 PolarHBondContact OD2-OG1 3.35Å; D70-Y74 WeakPolarHBondContact O-CB 3.47Å; D70-Y74 PolarHBondContact O-N 3.03Å
71N87.8Confident87.1Confident42 Ų4245.5 Ų45.523%0.22524%0.239CC..Hα-helixtrans-75.8-40.3-171.2-73-22.4000113.3I50 R54 Y74 C75I50-N71 HydrophobicContact CB-CB 4.44Å; I50-N71 HydrophobicContact CD1-CB 3.55Å; I50-N71 HydrophobicContact CG1-CB 4.15Å; I50-N71 HydrophobicContact CG2-CB 3.54Å; I50-N71 VanDerWaalsContact CG2-CG 3.43Å; R54-N71 PolarHBondContact NH1-OD1 3.45Å; N71-Y74 WeakPolarHBondContact O-CB 3.23Å; N71-Y74 PolarHBondContact O-N 2.87Å; N71-C75 PolarHBondContact O-N 3.48Å
72L87.7Confident86.7Confident55 Ų5545.8 Ų45.829%0.28824%0.242SC..Hα-helixtrans-71.3-41.7179-73.1175000110.8Y74 C75 K76L72-Y74 VanDerWaalsContact C-N 3.28Å; L72-Y74 PolarHBondContact O-N 3.1Å; L72-C75 PolarHBondContact O-N 3.36Å; L72-K76 WeakPolarHBondContact O-CG 3.41Å; L72-K76 PolarHBondContact O-N 2.91Å
73T88.1Confident86.4Confident31 Ų3145.2 Ų45.219%0.1924%0.236CC..Hα-helixtrans-60.9-39.4174.5-57.20000111I68 D70 C75 K76 C77 F95 L96I68-T73 HydrophobicContact CG2-CG2 4.48Å; D70-T73 WeakPolarHBondContact OD2-CB 3.35Å; D70-T73 PolarHBondContact OD2-N 3.24Å; D70-T73 PolarHBondContact OD2-OG1 3.35Å; T73-C75 PolarHBondContact O-N 3.14Å; T73-K76 PolarHBondContact O-N 3.12Å; T73-C77 WeakPolarHBondContact O-CB 3.36Å; T73-C77 PolarHBondContact O-N 3.26Å; T73-C77 PolarHBondContact O-SG 3.37Å; T73-F95 HydrophobicContact CG2-CB 4.24Å; T73-L96 HydrophobicContact CG2-CD2 3.61Å; T73-L96 HydrophobicContact CG2-CG 4.29Å
74Y89.3Confident86.1Confident1 Ų145.2 Ų45.20%0.00423%0.233CC..Hα-helixtrans-56.4-51.5174.4-178.6-89.2000112.3R54 Y57 L64 I68 D70 N71 L72 K76 C77 L78R54-Y74 HydrophobicContact CG-CD1 4.01Å; R54-Y74 HydrophobicContact CG-CE1 3.78Å; Y57-Y74 WeakPolarHBondContact CD1-OH 3.48Å; L64-Y74 HydrophobicContact CB-CE2 4.15Å; L64-Y74 HydrophobicContact CD2-CD2 4.19Å; L64-Y74 HydrophobicContact CD2-CE2 3.57Å; L64-Y74 HydrophobicContact CG-CD2 4.09Å; L64-Y74 HydrophobicContact CG-CE2 3.61Å; I68-Y74 HydrophobicContact CB-CD2 4.3Å; D70-Y74 WeakPolarHBondContact O-CB 3.47Å; D70-Y74 PolarHBondContact O-N 3.03Å; N71-Y74 WeakPolarHBondContact O-CB 3.23Å; N71-Y74 PolarHBondContact O-N 2.87Å; L72-Y74 VanDerWaalsContact C-N 3.28Å; L72-Y74 PolarHBondContact O-N 3.1Å; Y74-K76 PolarHBondContact O-N 2.98Å; Y74-C77 PolarHBondContact O-N 3.13Å; Y74-L78 HydrophobicContact CE1-CD1 4.47Å; Y74-L78 HydrophobicContact CE1-CD2 4.29Å; Y74-L78 PolarHBondContact O-N 3.02Å
75C89.3Confident85.7Confident0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-63-38.9179.2-69.30000112.8N71 L72 T73 L78 Q79 C128 I132N71-C75 PolarHBondContact O-N 3.48Å; L72-C75 PolarHBondContact O-N 3.36Å; T73-C75 PolarHBondContact O-N 3.14Å; C75-L78 PolarHBondContact O-N 2.93Å; C75-Q79 WeakPolarHBondContact O-CB 3.42Å; C75-Q79 PolarHBondContact O-N 3.24Å; C75-C128 HydrophobicContact CB-CB 4.26Å; C75-I132 HydrophobicContact CB-CG1 4.48Å
76K87.8Confident85.5Confident81 Ų8154.6 Ų54.635%0.35227%0.27SS..Hα-helixtrans-66.2-41176.5-71.2178.4179.7-177.30112.5L72 T73 Y74 Q79 K80 F95 I132L72-K76 WeakPolarHBondContact O-CG 3.41Å; L72-K76 PolarHBondContact O-N 2.91Å; T73-K76 PolarHBondContact O-N 3.12Å; Y74-K76 PolarHBondContact O-N 2.98Å; K76-Q79 PolarHBondContact O-N 3.47Å; K76-K80 PolarHBondContact O-N 3.35Å; K76-F95 HydrophobicContact CB-CD1 4.3Å; K76-F95 HydrophobicContact CB-CE1 4.43Å; K76-F95 HydrophobicContact CB-CG 4.5Å; K76-F95 HydrophobicContact CD-CD1 4.03Å; K76-F95 HydrophobicContact CD-CE1 4.04Å; K76-I132 HydrophobicContact CG-CD1 3.92Å; K76-I132 HydrophobicContact CG-CG1 4.31Å
77C86.2Confident85.1Confident0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-63.1-44.9175.2-67.10000110.9I68 T73 Y74 Q79 K80 V81 L92 L96I68-C77 HydrophobicContact CD1-CB 4.3Å; T73-C77 WeakPolarHBondContact O-CB 3.36Å; T73-C77 PolarHBondContact O-N 3.26Å; T73-C77 PolarHBondContact O-SG 3.37Å; Y74-C77 PolarHBondContact O-N 3.13Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 3.5Å; C77-K80 PolarHBondContact O-N 2.93Å; C77-V81 WeakPolarHBondContact O-CG2 3.48Å; C77-V81 PolarHBondContact O-N 3.05Å; C77-V81 VanDerWaalsContact O-N 3.14Å; C77-L92 HydrophobicContact CB-CD2 4.14Å; C77-L96 VanDerWaalsContact SG-CD1 3.6Å
78L87.5Confident84.5Confident0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-58.8-46.5177-134.468.4000111.5Y57 L64 Y74 C75 K80 V81 G82 I124 L125 C128Y57-L78 HydrophobicContact CD1-CD1 3.49Å; Y57-L78 VanDerWaalsContact CD1-CD1 3.49Å; Y57-L78 HydrophobicContact CD1-CD2 4.25Å; Y57-L78 HydrophobicContact CD1-CG 4.39Å; Y57-L78 HydrophobicContact CD2-CD1 4.03Å; Y57-L78 HydrophobicContact CD2-CD2 3.77Å; Y57-L78 HydrophobicContact CD2-CG 4.13Å; Y57-L78 HydrophobicContact CE1-CD1 3.26Å; Y57-L78 HydrophobicContact CE1-CG 4.34Å; Y57-L78 HydrophobicContact CE2-CD1 3.85Å; Y57-L78 HydrophobicContact CE2-CD2 4.23Å; Y57-L78 HydrophobicContact CE2-CG 4.08Å; Y57-L78 HydrophobicContact CG-CD1 3.84Å; Y57-L78 HydrophobicContact CG-CD2 3.75Å; Y57-L78 HydrophobicContact CG-CG 4.25Å; Y57-L78 VanDerWaalsContact CZ-CD1 3.45Å; L64-L78 HydrophobicContact CD2-CD1 3.57Å; Y74-L78 HydrophobicContact CE1-CD1 4.47Å; Y74-L78 HydrophobicContact CE1-CD2 4.29Å; Y74-L78 PolarHBondContact O-N 3.02Å; C75-L78 PolarHBondContact O-N 2.93Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.17Å; L78-V81 PolarHBondContact O-N 3.46Å; L78-G82 PolarHBondContact O-N 3.43Å; L78-I124 HydrophobicContact CD2-CG2 3.71Å; L78-L125 WeakPolarHBondContact O-CD2 3.42Å; L78-C128 VanDerWaalsContact CD2-SG 3.55Å
79Q86.8Confident84Confident84 Ų8452.9 Ų52.939%0.39329%0.289SS..Hα-helixtrans-58.6-38.4179.9-167.3-175.342.400112.6C75 K76 C77 T129C75-Q79 WeakPolarHBondContact O-CB 3.42Å; C75-Q79 PolarHBondContact O-N 3.24Å; K76-Q79 PolarHBondContact O-N 3.47Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 3.5Å; Q79-T129 PolarHBondContact NE2-OG1 2.97Å
80K83.8Confident83.5Confident117 Ų11748.8 Ų48.851%0.50926%0.261SS..Hα-helixtrans-76.7-35.1-178.7-79.8-111.9-177.71520113.8K76 C77 L78 E94 F95K76-K80 PolarHBondContact O-N 3.35Å; C77-K80 PolarHBondContact O-N 2.93Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.17Å; K80-E94 IonicContact NZ-OE2 3.16Å; K80-E94 PolarHBondContact NZ-OE2 2.93Å; K80-F95 HydrophobicContact CD-CE2 3.92Å; K80-F95 HydrophobicContact CG-CE2 3.87Å
81V83.3Confident82.7Confident5 Ų549.7 Ų49.73%0.0327%0.274CS..Hα-helixtrans-101.9-43.3-170.7-169.80000112.6C77 L78 D83 N86 Y87 A90 L92C77-V81 WeakPolarHBondContact O-CG2 3.48Å; C77-V81 PolarHBondContact O-N 3.05Å; C77-V81 VanDerWaalsContact O-N 3.14Å; L78-V81 PolarHBondContact O-N 3.46Å; V81-D83 PolarHBondContact O-N 3.36Å; V81-D83 VanDerWaalsContact O-N 3.15Å; V81-N86 HydrophobicContact CG1-CB 3.79Å; V81-N86 WeakPolarHBondContact O-CB 3.43Å; V81-N86 PolarHBondContact O-ND2 3.48Å; V81-Y87 HydrophobicContact CB-CD1 4.42Å; V81-Y87 HydrophobicContact CB-CD2 4.2Å; V81-Y87 HydrophobicContact CB-CE1 4.11Å; V81-Y87 HydrophobicContact CB-CE2 3.88Å; V81-Y87 HydrophobicContact CB-CG 4.49Å; V81-Y87 HydrophobicContact CG1-CD1 3.9Å; V81-Y87 HydrophobicContact CG1-CD2 3.26Å; V81-Y87 HydrophobicContact CG1-CE1 4.03Å; V81-Y87 HydrophobicContact CG1-CE2 3.43Å; V81-Y87 VanDerWaalsContact CG1-CE2 3.43Å; V81-Y87 HydrophobicContact CG1-CG 3.55Å; V81-Y87 HydrophobicContact CG2-CD1 4.27Å; V81-Y87 HydrophobicContact CG2-CE1 4.01Å; V81-A90 HydrophobicContact CG1-CB 4.12Å; V81-A90 HydrophobicContact CG2-CB 3.83Å; V81-L92 HydrophobicContact CG2-CD1 4.06Å; V81-L92 HydrophobicContact CG2-CD2 3.69Å; V81-L92 HydrophobicContact CG2-CG 4.07Å
82G82.1Confident82Confident6 Ų647.8 Ų47.86%0.06226%0.264CS..  trans69.8-101.4-17500000112.8Y57 L78Y57-G82 PolarHBondContact OH-O 3.04Å; L78-G82 PolarHBondContact O-N 3.43Å
83D82.6Confident81.3Confident41 Ų4149.1 Ų49.122%0.21928%0.278CS..SBendtrans-76.9149.3-174.6-170.77.9000111.9H60 V81 K85 N86 Y87 I121H60-D83 IonicContact CE1-OD1 3.11Å; H60-D83 PolarHBondContact CE1-OD1 3.41Å; H60-D83 IonicContact NE2-OD1 2.69Å; H60-D83 PolarHBondContact NE2-OD1 2.97Å; H60-D83 VanDerWaalsContact NE2-OD1 3.11Å; V81-D83 PolarHBondContact O-N 3.36Å; V81-D83 VanDerWaalsContact O-N 3.15Å; D83-K85 PolarHBondContact O-N 2.98Å; D83-K85 VanDerWaalsContact O-N 3.16Å; D83-N86 PolarHBondContact O-N 3.29Å; D83-Y87 WeakPolarHBondContact O-CD2 3.24Å; D83-I121 HydrophobicContact CB-CD1 4.21Å
84R80.6Confident80.7Confident61 Ų6154.3 Ų54.323%0.2330%0.3CS..G310 helixtrans-52.1-37.5177.1-173.1175.769.3133.2-12.4112.5H60 N86 Y87 A108 S111H60-R84 WeakPolarHBondContact NE2-CB 3.38Å; H60-R84 PolarHBondContact NE2-N 3.39Å; R84-N86 PolarHBondContact O-N 3.42Å; R84-Y87 WeakPolarHBondContact O-CB 3.47Å; R84-Y87 PolarHBondContact O-N 3.44Å; R84-Y87 VanDerWaalsContact O-N 3.14Å; R84-A108 VanDerWaalsContact CD-O 3.31Å; R84-A108 WeakPolarHBondContact CD-O 3.31Å; R84-A108 HydrophobicContact CG-CB 4.07Å; R84-A108 PolarHBondContact NH1-O 3.01Å; R84-S111 PolarHBondContact NH1-O 3.47Å
85K79.2Confident79.9Confident141 Ų14157.1 Ų57.161%0.61331%0.312SS*.G310 helixtrans-63.2-29.3-178.4-64.6174.3-174.7165.70112.9D83 Y87D83-K85 PolarHBondContact O-N 2.98Å; D83-K85 VanDerWaalsContact O-N 3.16Å; K85-Y87 VanDerWaalsContact C-N 3.31Å
86N80.9Confident79.4Confident82 Ų8258.2 Ų58.244%0.43932%0.318SS..G310 helixtrans-79.9-12.2179.7-76.4-3.1000113V81 D83 R84 A88 S89 A90V81-N86 HydrophobicContact CG1-CB 3.79Å; V81-N86 WeakPolarHBondContact O-CB 3.43Å; V81-N86 PolarHBondContact O-ND2 3.48Å; D83-N86 PolarHBondContact O-N 3.29Å; R84-N86 PolarHBondContact O-N 3.42Å; N86-A88 PolarHBondContact O-N 3.33Å; N86-S89 PolarHBondContact O-N 3.25Å; N86-S89 PolarHBondContact O-OG 3.02Å; N86-A90 VanDerWaalsContact O-CB 3.24Å; N86-A90 WeakPolarHBondContact O-CB 3.41Å; N86-A90 PolarHBondContact O-N 3.31Å
87Y78.7Confident79.1Confident1 Ų157.6 Ų57.60%0.00432%0.324CS..G310 helixtrans-64.2-28.1178-81.1-92.1000112.8F61 L64 V81 D83 R84 K85 S89 L92 V104 K105 A108F61-Y87 HydrophobicContact CD1-CE2 4.32Å; F61-Y87 HydrophobicContact CE1-CE1 4.44Å; F61-Y87 HydrophobicContact CE1-CE2 4.46Å; L64-Y87 HydrophobicContact CD1-CE1 4.38Å; L64-Y87 WeakPolarHBondContact CD2-OH 3.49Å; V81-Y87 HydrophobicContact CB-CD1 4.42Å; V81-Y87 HydrophobicContact CB-CD2 4.2Å; V81-Y87 HydrophobicContact CB-CE1 4.11Å; V81-Y87 HydrophobicContact CB-CE2 3.88Å; V81-Y87 HydrophobicContact CB-CG 4.49Å; V81-Y87 HydrophobicContact CG1-CD1 3.9Å; V81-Y87 HydrophobicContact CG1-CD2 3.26Å; V81-Y87 HydrophobicContact CG1-CE1 4.03Å; V81-Y87 HydrophobicContact CG1-CE2 3.43Å; V81-Y87 VanDerWaalsContact CG1-CE2 3.43Å; V81-Y87 HydrophobicContact CG1-CG 3.55Å; V81-Y87 HydrophobicContact CG2-CD1 4.27Å; V81-Y87 HydrophobicContact CG2-CE1 4.01Å; D83-Y87 WeakPolarHBondContact O-CD2 3.24Å; R84-Y87 WeakPolarHBondContact O-CB 3.47Å; R84-Y87 PolarHBondContact O-N 3.44Å; R84-Y87 VanDerWaalsContact O-N 3.14Å; K85-Y87 VanDerWaalsContact C-N 3.31Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.85Å; Y87-L92 HydrophobicContact CD1-CD1 4.15Å; Y87-L92 HydrophobicContact CE1-CD1 4.16Å; Y87-V104 HydrophobicContact CD1-CG1 3.51Å; Y87-V104 HydrophobicContact CE1-CG1 3.59Å; Y87-K105 WeakPolarHBondContact O-CE 3.46Å; Y87-A108 HydrophobicContact CG-CB 4.35Å
88A74.4Confident78.9Confident80 Ų8065.7 Ų65.766%0.66136%0.362SS*.G310 helixtrans-68.1-33.3177.900000112.8N86N86-A88 PolarHBondContact O-N 3.33Å
89S74.5Confident78.7Confident99 Ų9973.6 Ų73.669%0.69240%0.399SS*.THydrogen-bonded Turntrans-102.4-19.1-176.158.80000114N86 Y87N86-S89 PolarHBondContact O-N 3.25Å; N86-S89 PolarHBondContact O-OG 3.02Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.85Å
90A74.4Confident78.7Confident21 Ų2171.4 Ų71.417%0.17439%0.391CS..  trans-73.9141.7179.400000112V81 N86 K105V81-A90 HydrophobicContact CG1-CB 4.12Å; V81-A90 HydrophobicContact CG2-CB 3.83Å; N86-A90 VanDerWaalsContact O-CB 3.24Å; N86-A90 WeakPolarHBondContact O-CB 3.41Å; N86-A90 PolarHBondContact O-N 3.31Å; A90-K105 VanDerWaalsContact O-CE 3.29Å; A90-K105 WeakPolarHBondContact O-CE 3.22Å; A90-K105 PolarHBondContact O-NZ 2.99Å
91S72.3Confident78.7Confident96 Ų9666.4 Ų66.467%0.67137%0.369SS*.  trans-99.9122.7167.444.60000108.8
92L73.4Confident78.8Confident1 Ų169.1 Ų69.11%0.00539%0.392CS..  trans-1098.2-177.4-75163.2000112.8C77 V81 Y87 E94 F95 L96 E101C77-L92 HydrophobicContact CB-CD2 4.14Å; V81-L92 HydrophobicContact CG2-CD1 4.06Å; V81-L92 HydrophobicContact CG2-CD2 3.69Å; V81-L92 HydrophobicContact CG2-CG 4.07Å; Y87-L92 HydrophobicContact CD1-CD1 4.15Å; Y87-L92 HydrophobicContact CE1-CD1 4.16Å; L92-E94 PolarHBondContact O-N 3.28Å; L92-F95 PolarHBondContact O-N 3.31Å; L92-L96 HydrophobicContact CB-CD1 4.21Å; L92-L96 HydrophobicContact CD1-CD1 4.23Å; L92-L96 PolarHBondContact O-N 2.92Å; L92-E101 HydrophobicContact CB-CG 4.12Å; L92-E101 PolarHBondContact N-OE1 3.01Å; L92-E101 VanDerWaalsContact N-OE1 3.14Å
93S71.8Confident79.1Confident83 Ų8374 Ų7458%0.5841%0.413SS*.THydrogen-bonded Turntrans-65-10.3-170.8-35.10000114.5E101S93-E101 PolarHBondContact N-OE2 3.37Å; S93-E101 PolarHBondContact OG-OE2 3.07Å
94E75.1Confident79.3Confident140 Ų14072.1 Ų72.165%0.65440%0.403SS*.THydrogen-bonded Turntrans-74.6-29.6172.5-172.7178.9-173.100112.5K80 L92K80-E94 IonicContact NZ-OE2 3.16Å; K80-E94 PolarHBondContact NZ-OE2 2.93Å; L92-E94 PolarHBondContact O-N 3.28Å
95F73.8Confident79.6Confident60 Ų6072.1 Ų72.126%0.26341%0.405SS..THydrogen-bonded Turntrans-117.1-25-173-52.1-70.4000113.5T73 K76 K80 L92T73-F95 HydrophobicContact CG2-CB 4.24Å; K76-F95 HydrophobicContact CB-CD1 4.3Å; K76-F95 HydrophobicContact CB-CE1 4.43Å; K76-F95 HydrophobicContact CB-CG 4.5Å; K76-F95 HydrophobicContact CD-CD1 4.03Å; K76-F95 HydrophobicContact CD-CE1 4.04Å; K80-F95 HydrophobicContact CD-CE2 3.92Å; K80-F95 HydrophobicContact CG-CE2 3.87Å; L92-F95 PolarHBondContact O-N 3.31Å
96L78.1Confident80Confident23 Ų2367.8 Ų67.812%0.1240%0.395CS..SBendtrans-121.4152.1-176-66.1173000111.1I68 T73 C77 L92 V100I68-L96 HydrophobicContact CD1-CD1 4.09Å; I68-L96 HydrophobicContact CD1-CD2 4.29Å; I68-L96 HydrophobicContact CG1-CD2 4.37Å; T73-L96 HydrophobicContact CG2-CD2 3.61Å; T73-L96 HydrophobicContact CG2-CG 4.29Å; C77-L96 VanDerWaalsContact SG-CD1 3.6Å; L92-L96 HydrophobicContact CB-CD1 4.21Å; L92-L96 HydrophobicContact CD1-CD1 4.23Å; L92-L96 PolarHBondContact O-N 2.92Å; L96-V100 HydrophobicContact CD1-CG1 4.39Å; L96-V100 HydrophobicContact CD2-CG1 3.98Å
97S82.2Confident80.4Confident69 Ų6964.3 Ų64.348%0.48338%0.378SS..  trans-70154167.263.60000110.5E99 V100 E101S97-E99 PolarHBondContact O-N 2.97Å; S97-V100 PolarHBondContact O-N 2.83Å; S97-V100 VanDerWaalsContact O-N 3.16Å; S97-V100 WeakPolarHBondContact OG-CG2 3.41Å; S97-E101 PolarHBondContact O-N 3.01Å
98E81.3Confident80.7Confident169 Ų16964.7 Ų64.779%0.7938%0.381SS*.Hα-helixtrans-60.6-33.5-176.4-163.6172.1-168.500112.5A102E98-A102 WeakPolarHBondContact O-CB 3.31Å; E98-A102 PolarHBondContact O-N 3.34Å
99E84.4Confident81.2Confident167 Ų16768.5 Ų68.578%0.7839%0.385SS*.Hα-helixtrans-62.6-48.7175.2-65.1-177.6173.300111.9S97 A102 E103S97-E99 PolarHBondContact O-N 2.97Å; E99-A102 PolarHBondContact O-N 3.48Å; E99-E103 PolarHBondContact O-N 2.92Å; E99-E103 VanDerWaalsContact O-N 3.12Å
100V85.1Confident81.8Confident37 Ų3769.7 Ų69.722%0.22438%0.382CS..Hα-helixtrans-69.4-37.4-179.6179.20000110.7I67 L96 S97 A102 E103 V104I67-V100 HydrophobicContact CG2-CG1 3.66Å; L96-V100 HydrophobicContact CD1-CG1 4.39Å; L96-V100 HydrophobicContact CD2-CG1 3.98Å; S97-V100 PolarHBondContact O-N 2.83Å; S97-V100 VanDerWaalsContact O-N 3.16Å; S97-V100 WeakPolarHBondContact OG-CG2 3.41Å; V100-A102 PolarHBondContact O-N 2.87Å; V100-E103 PolarHBondContact O-N 2.89Å; V100-V104 HydrophobicContact CG1-CG2 4.39Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.33Å; V100-V104 PolarHBondContact O-N 2.99Å
101E85.3Confident82.3Confident13 Ų1369.2 Ų69.26%0.06138%0.378CS..Hα-helixtrans-61-43.6175.7-177.7174.8173.700111.8L92 S93 S97 V104 K105L92-E101 HydrophobicContact CB-CG 4.12Å; L92-E101 PolarHBondContact N-OE1 3.01Å; L92-E101 VanDerWaalsContact N-OE1 3.14Å; S93-E101 PolarHBondContact N-OE2 3.37Å; S93-E101 PolarHBondContact OG-OE2 3.07Å; S97-E101 PolarHBondContact O-N 3.01Å; E101-V104 PolarHBondContact O-N 2.93Å; E101-K105 HydrophobicContact CG-CD 4.31Å; E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 3.23Å; E101-K105 IonicContact OE1-NZ 2.73Å; E101-K105 PolarHBondContact OE1-NZ 2.83Å
102A85.8Confident82.9Confident61 Ų6172.6 Ų72.650%0.50439%0.385SS..Hα-helixtrans-63.6-40.7176.200000112E98 E99 V100 K105 A106E98-A102 WeakPolarHBondContact O-CB 3.31Å; E98-A102 PolarHBondContact O-N 3.34Å; E99-A102 PolarHBondContact O-N 3.48Å; V100-A102 PolarHBondContact O-N 2.87Å; A102-K105 PolarHBondContact O-N 3.36Å; A102-A106 PolarHBondContact O-N 3.24Å
103E87.4Confident83.5Confident110 Ų11073.4 Ų73.451%0.51439%0.394SS..Hα-helixtrans-63.5-44.1176.4-167.5179.1-176.400111.7I67 E99 V100 K105 A106 A107I67-E103 HydrophobicContact CD1-CG 4.06Å; I67-E103 HydrophobicContact CG1-CG 4.18Å; I67-E103 HydrophobicContact CG2-CB 4.43Å; I67-E103 HydrophobicContact CG2-CG 4.35Å; E99-E103 PolarHBondContact O-N 2.92Å; E99-E103 VanDerWaalsContact O-N 3.12Å; V100-E103 PolarHBondContact O-N 2.89Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.47Å; E103-A106 PolarHBondContact O-N 2.98Å; E103-A107 VanDerWaalsContact O-CB 3.28Å; E103-A107 WeakPolarHBondContact O-CB 3.5Å; E103-A107 PolarHBondContact O-N 3.29Å
104V87.1Confident84.2Confident0 Ų073.1 Ų73.10%039%0.389CS..Hα-helixtrans-62.2-40.8176.1173.70000111.4F61 L64 I67 Y87 V100 E101 A107 A108F61-V104 HydrophobicContact CE1-CG1 4.16Å; F61-V104 HydrophobicContact CZ-CG1 4.49Å; L64-V104 HydrophobicContact CD1-CG1 3.72Å; L64-V104 HydrophobicContact CD1-CG2 3.97Å; I67-V104 HydrophobicContact CB-CG2 4.31Å; I67-V104 HydrophobicContact CD1-CG2 4.14Å; I67-V104 HydrophobicContact CG2-CG2 3.7Å; Y87-V104 HydrophobicContact CD1-CG1 3.51Å; Y87-V104 HydrophobicContact CE1-CG1 3.59Å; V100-V104 HydrophobicContact CG1-CG2 4.39Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.33Å; V100-V104 PolarHBondContact O-N 2.99Å; E101-V104 PolarHBondContact O-N 2.93Å; V104-A107 PolarHBondContact O-N 3.13Å; V104-A108 WeakPolarHBondContact O-CB 3.49Å; V104-A108 PolarHBondContact O-N 3.34Å
105K87.2Confident84.7Confident62 Ų6273.7 Ų73.727%0.2739%0.391SS..Hα-helixtrans-65-44.6177.4-76.8174.9172.7169.30112Y87 A90 E101 A102 E103 A108 E109Y87-K105 WeakPolarHBondContact O-CE 3.46Å; A90-K105 VanDerWaalsContact O-CE 3.29Å; A90-K105 WeakPolarHBondContact O-CE 3.22Å; A90-K105 PolarHBondContact O-NZ 2.99Å; E101-K105 HydrophobicContact CG-CD 4.31Å; E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 3.23Å; E101-K105 IonicContact OE1-NZ 2.73Å; E101-K105 PolarHBondContact OE1-NZ 2.83Å; A102-K105 PolarHBondContact O-N 3.36Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.47Å; K105-A108 WeakPolarHBondContact O-CB 3.44Å; K105-A108 PolarHBondContact O-N 3.48Å; K105-E109 PolarHBondContact O-N 3.41Å
106A87.9Confident85.2Confident49 Ų4972.8 Ų72.841%0.40539%0.39SS..Hα-helixtrans-62.8-42.5175.200000111.9A102 E103 A108 E109 I110A102-A106 PolarHBondContact O-N 3.24Å; E103-A106 PolarHBondContact O-N 2.98Å; A106-A108 VanDerWaalsContact C-N 3.32Å; A106-A108 PolarHBondContact O-N 3.04Å; A106-E109 PolarHBondContact O-N 2.96Å; A106-I110 PolarHBondContact O-N 3.44Å
107A87.4Confident85.8Confident9 Ų974.4 Ų74.47%0.07440%0.404CS..Hα-helixtrans-64.1-35.4175.400000112.3F61 E63 I67 E103 V104 E109 I110 S111F61-A107 HydrophobicContact CE2-CB 4.01Å; F61-A107 HydrophobicContact CZ-CB 3.89Å; E63-A107 HydrophobicContact CB-CB 4.16Å; E63-A107 VanDerWaalsContact OE2-CB 3.29Å; E63-A107 WeakPolarHBondContact OE2-CB 3.36Å; I67-A107 HydrophobicContact CD1-CB 3.64Å; E103-A107 VanDerWaalsContact O-CB 3.28Å; E103-A107 WeakPolarHBondContact O-CB 3.5Å; E103-A107 PolarHBondContact O-N 3.29Å; V104-A107 PolarHBondContact O-N 3.13Å; A107-E109 VanDerWaalsContact C-N 3.31Å; A107-E109 PolarHBondContact O-N 3.48Å; A107-I110 PolarHBondContact O-N 3.46Å; A107-S111 WeakPolarHBondContact O-CA 3.5Å; A107-S111 VanDerWaalsContact O-CB 3.23Å; A107-S111 WeakPolarHBondContact O-CB 3.44Å; A107-S111 PolarHBondContact O-N 2.92Å
108A86.5Confident86Confident9 Ų979 Ų797%0.07442%0.418CS..Hα-helixtrans-63.4-37.2177.700000112.2F61 R84 Y87 V104 K105 A106F61-A108 HydrophobicContact CE1-CB 4.36Å; F61-A108 HydrophobicContact CZ-CB 4.07Å; R84-A108 VanDerWaalsContact CD-O 3.31Å; R84-A108 WeakPolarHBondContact CD-O 3.31Å; R84-A108 HydrophobicContact CG-CB 4.07Å; R84-A108 PolarHBondContact NH1-O 3.01Å; Y87-A108 HydrophobicContact CG-CB 4.35Å; V104-A108 WeakPolarHBondContact O-CB 3.49Å; V104-A108 PolarHBondContact O-N 3.34Å; K105-A108 WeakPolarHBondContact O-CB 3.44Å; K105-A108 PolarHBondContact O-N 3.48Å; A106-A108 VanDerWaalsContact C-N 3.32Å; A106-A108 PolarHBondContact O-N 3.04Å
109E85.1Confident86.4Confident161 Ų16177.9 Ų77.975%0.75241%0.413SS*.Hα-helixtrans-68.1-39177.1-67.4-173.7170.600112.5K105 A106 A107K105-E109 PolarHBondContact O-N 3.41Å; A106-E109 PolarHBondContact O-N 2.96Å; A107-E109 VanDerWaalsContact C-N 3.31Å; A107-E109 PolarHBondContact O-N 3.48Å
110I86.3Confident86.6Confident123 Ų12373.1 Ų73.163%0.63139%0.392SS*.Hα-helixtrans-96.5-6-173.5-50168.7000112.1A106 A107 M112A106-I110 PolarHBondContact O-N 3.44Å; A107-I110 PolarHBondContact O-N 3.46Å; I110-M112 PolarHBondContact O-N 3.43Å
111S85.7Confident86.8Confident12 Ų1272 Ų728%0.08439%0.385CS..  trans-52.9134.7-1731770000113.5F61 R84 A107 G113F61-S111 WeakPolarHBondContact CD2-OG 3.32Å; R84-S111 PolarHBondContact NH1-O 3.47Å; A107-S111 WeakPolarHBondContact O-CA 3.5Å; A107-S111 VanDerWaalsContact O-CB 3.23Å; A107-S111 WeakPolarHBondContact O-CB 3.44Å; A107-S111 PolarHBondContact O-N 2.92Å; S111-G113 VanDerWaalsContact C-N 3.35Å; S111-G113 PolarHBondContact OG-N 3.05Å
112M83.6Confident87.1Confident167 Ų16775.2 Ų75.282%0.82341%0.408SS*.  trans-91.48.3177.9-61.5-69.4-75.600113.4I110I110-M112 PolarHBondContact O-N 3.43Å
113G85.6Confident87.4Confident18 Ų1876.5 Ų76.519%0.18641%0.406CS..PPolyproline II helixtrans-72.5160.7-17900000113.5W59 H60 S111W59-G113 WeakPolarHBondContact O-CA 3.32Å; H60-G113 VanDerWaalsContact O-CA 3.31Å; H60-G113 WeakPolarHBondContact O-CA 3.35Å; S111-G113 VanDerWaalsContact C-N 3.35Å; S111-G113 PolarHBondContact OG-N 3.05Å
114T86.9Confident87.6Confident77 Ų7771.4 Ų71.447%0.47238%0.383SS..PPolyproline II helixtrans-84.6148.8-178.556.10000111.5W59 H60 V116W59-T114 PolarHBondContact O-N 2.93Å; W59-T114 PolarHBondContact O-OG1 3.32Å; W59-T114 VanDerWaalsContact O-OG1 3.14Å; H60-T114 PolarHBondContact ND1-O 2.77Å; T114-V116 PolarHBondContact O-N 3.4Å
115E85.1Confident87.8Confident152 Ų15273.4 Ų73.471%0.7139%0.393SS*.PPolyproline II helixtrans-66.8133.8167.9-64.1-169.8154.600109.9
116V85.8Confident88.1Confident40 Ų4076 Ų7624%0.24241%0.406CS..  trans-119.8149-177.6176.10000108.1H60 T114 D120 I121H60-V116 HydrophobicContact CB-CG2 3.8Å; T114-V116 PolarHBondContact O-N 3.4Å; V116-D120 HydrophobicContact CG1-CB 3.41Å; V116-D120 VanDerWaalsContact CG1-CB 3.41Å; V116-I121 HydrophobicContact CB-CG1 4.4Å; V116-I121 HydrophobicContact CG1-CG1 4.21Å
117S89.7Confident88.3Confident57 Ų5775.3 Ų75.340%0.39940%0.395SS..  trans-61.4147.4177.4-179.60000111.3E119 D120 I121S117-E119 PolarHBondContact O-N 3.03Å; S117-E119 PolarHBondContact OG-N 2.81Å; S117-D120 PolarHBondContact O-N 3.39Å; S117-D120 VanDerWaalsContact O-N 3.14Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.29Å
118E86.8Confident88.5Confident166 Ų16674.9 Ų74.978%0.77639%0.392SS*.Hα-helixtrans-58.6-32.5173.2-65.6179.7-175.700111.9I121 C122E118-I121 PolarHBondContact O-N 3.14Å; E118-C122 WeakPolarHBondContact O-CB 3.38Å; E118-C122 PolarHBondContact O-N 3.35Å
119E89.6Confident88.8Confident146 Ų14676.2 Ų76.268%0.68240%0.399SS*.Hα-helixtrans-63.4-44176.2-64.6-179.1177.100111.7S117 C122 N123S117-E119 PolarHBondContact O-N 3.03Å; S117-E119 PolarHBondContact OG-N 2.81Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-N 2.86Å; E119-N123 PolarHBondContact O-N 3.09Å; E119-N123 VanDerWaalsContact O-N 3.1Å; E119-N123 PolarHBondContact O-ND2 3.28Å; E119-N123 VanDerWaalsContact O-ND2 3.12Å
120D89.2Confident89.2Confident67 Ų6771.8 Ų71.836%0.35838%0.378SS..Hα-helixtrans-69.1-40.2178.4-70.2-41.4000111.1V116 S117 C122 N123 I124V116-D120 HydrophobicContact CG1-CB 3.41Å; V116-D120 VanDerWaalsContact CG1-CB 3.41Å; S117-D120 PolarHBondContact O-N 3.39Å; S117-D120 VanDerWaalsContact O-N 3.14Å; D120-C122 VanDerWaalsContact C-N 3.31Å; D120-C122 PolarHBondContact O-N 2.87Å; D120-N123 PolarHBondContact O-N 2.62Å; D120-I124 VanDerWaalsContact O-CG1 3.32Å; D120-I124 WeakPolarHBondContact O-CG1 3.47Å; D120-I124 PolarHBondContact O-N 3.39Å
121I89Confident89.5Confident13 Ų1366 Ų667%0.06735%0.349CS..Hα-helixtrans-60-44.5173.9-66.5172.7000110.1D83 V116 S117 E118 N123 I124 L125D83-I121 HydrophobicContact CB-CD1 4.21Å; V116-I121 HydrophobicContact CB-CG1 4.4Å; V116-I121 HydrophobicContact CG1-CG1 4.21Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.29Å; E118-I121 PolarHBondContact O-N 3.14Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.24Å; I121-I124 PolarHBondContact O-N 3.35Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.27Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.42Å
122C91.1Very high89.8Confident81 Ų8166.3 Ų66.355%0.54735%0.349SS..Hα-helixtrans-58-43.8176.9-1710000111.9E118 E119 D120 I124 L125 H126E118-C122 WeakPolarHBondContact O-CB 3.38Å; E118-C122 PolarHBondContact O-N 3.35Å; E119-C122 WeakPolarHBondContact O-CB 3.43Å; E119-C122 PolarHBondContact O-N 2.86Å; D120-C122 VanDerWaalsContact C-N 3.31Å; D120-C122 PolarHBondContact O-N 2.87Å; C122-I124 PolarHBondContact O-N 3.01Å; C122-L125 PolarHBondContact O-N 3.09Å; C122-H126 PolarHBondContact O-N 3.37Å
123N91.8Very high90.3Very high87 Ų8762.8 Ų62.847%0.46533%0.331SS..Hα-helixtrans-63.4-40.5176.4-69.5-40000112.5W56 E119 D120 I121 H126 L127W56-N123 HydrophobicContact CH2-CB 3.9Å; W56-N123 HydrophobicContact CZ2-CB 4.34Å; E119-N123 PolarHBondContact O-N 3.09Å; E119-N123 VanDerWaalsContact O-N 3.1Å; E119-N123 PolarHBondContact O-ND2 3.28Å; E119-N123 VanDerWaalsContact O-ND2 3.12Å; D120-N123 PolarHBondContact O-N 2.62Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 3.24Å; N123-H126 WeakPolarHBondContact O-CB 3.43Å; N123-H126 PolarHBondContact O-N 2.83Å; N123-L127 PolarHBondContact O-N 3.38Å
124I91.8Very high90.7Very high3 Ų363.7 Ų63.72%0.01533%0.331CS..Hα-helixtrans-64-41.9175.7-66.4164.5000110.9W56 Y57 L78 D120 I121 C122 H126 L127 C128W56-I124 HydrophobicContact CD2-CD1 4.16Å; W56-I124 HydrophobicContact CD2-CG1 3.54Å; W56-I124 HydrophobicContact CE3-CG1 3.86Å; W56-I124 HydrophobicContact CG-CD1 4Å; W56-I124 HydrophobicContact CG-CG1 3.85Å; W56-I124 HydrophobicContact CH2-CG1 4.45Å; W56-I124 HydrophobicContact CZ2-CG1 4.17Å; W56-I124 HydrophobicContact CZ3-CG1 4.29Å; Y57-I124 HydrophobicContact CD2-CD1 4.36Å; Y57-I124 HydrophobicContact CD2-CG2 4.1Å; L78-I124 HydrophobicContact CD2-CG2 3.71Å; D120-I124 VanDerWaalsContact O-CG1 3.32Å; D120-I124 WeakPolarHBondContact O-CG1 3.47Å; D120-I124 PolarHBondContact O-N 3.39Å; I121-I124 PolarHBondContact O-N 3.35Å; C122-I124 PolarHBondContact O-N 3.01Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 3.39Å; I124-L127 PolarHBondContact O-N 2.93Å; I124-C128 PolarHBondContact O-N 3.43Å; I124-C128 PolarHBondContact O-SG 2.83Å
125L91.4Very high91Very high42 Ų4261 Ų6122%0.2232%0.315CS..Hα-helixtrans-65.4-36.7177-67.8172.1000112.1L78 I121 C122 C128 T129L78-L125 WeakPolarHBondContact O-CD2 3.42Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.27Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 3.42Å; C122-L125 PolarHBondContact O-N 3.09Å; L125-C128 PolarHBondContact O-N 3.49Å; L125-T129 PolarHBondContact O-N 3.14Å; L125-T129 PolarHBondContact O-OG1 3.19Å
126H92.8Very high91.4Very high117 Ų11759 Ų5954%0.54231%0.306SS..Hα-helixtrans-62.5-45.3173.6-169.766.8000111.1C122 N123 I124 C128 T129 Q130C122-H126 PolarHBondContact O-N 3.37Å; N123-H126 WeakPolarHBondContact O-CB 3.43Å; N123-H126 PolarHBondContact O-N 2.83Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 3.39Å; H126-C128 VanDerWaalsContact C-N 3.33Å; H126-C128 PolarHBondContact O-N 3.41Å; H126-T129 WeakPolarHBondContact O-CB 3.47Å; H126-T129 PolarHBondContact O-N 2.99Å; H126-T129 VanDerWaalsContact O-N 3.14Å; H126-Q130 WeakPolarHBondContact O-CG 3.09Å; H126-Q130 PolarHBondContact O-N 3.49Å
127L92.2Very high91.8Very high34 Ų3462.3 Ų62.318%0.17832%0.315CS..Hα-helixtrans-60.4-41.6175.2-174.563.1000111.9Y49 C53 W56 N123 I124 T129 Q130 V131Y49-L127 HydrophobicContact CD1-CD1 4.32Å; C53-L127 WeakPolarHBondContact SG-CD2 3.49Å; C53-L127 WeakPolarHBondContact SG-CG 3.47Å; W56-L127 HydrophobicContact CE3-CD2 4.07Å; W56-L127 HydrophobicContact CZ3-CD2 4.19Å; N123-L127 PolarHBondContact O-N 3.38Å; I124-L127 PolarHBondContact O-N 2.93Å; L127-T129 VanDerWaalsContact C-N 3.3Å; L127-T129 PolarHBondContact O-N 3Å; L127-Q130 PolarHBondContact O-N 3.44Å; L127-V131 WeakPolarHBondContact O-CG2 3.47Å; L127-V131 PolarHBondContact O-N 3.05Å
128C92.1Very high92Very high0 Ų063.5 Ų63.50%031%0.311CS..Hα-helixtrans-61.4-39.3175-67.60000112.5C75 L78 I124 L125 H126 V131 I132C75-C128 HydrophobicContact CB-CB 4.26Å; L78-C128 VanDerWaalsContact CD2-SG 3.55Å; I124-C128 PolarHBondContact O-N 3.43Å; I124-C128 PolarHBondContact O-SG 2.83Å; L125-C128 PolarHBondContact O-N 3.49Å; H126-C128 VanDerWaalsContact C-N 3.33Å; H126-C128 PolarHBondContact O-N 3.41Å; C128-V131 PolarHBondContact O-N 3.37Å; C128-I132 WeakPolarHBondContact O-CG1 3.15Å; C128-I132 PolarHBondContact O-N 3.46Å; C128-I132 VanDerWaalsContact O-N 3.1Å
129T92.8Very high92.4Very high37 Ų3758.9 Ų58.923%0.22729%0.294CS..Hα-helixtrans-63.1-44.5176-55.80000110.7Q79 L125 H126 L127 V131 I132 E133Q79-T129 PolarHBondContact NE2-OG1 2.97Å; L125-T129 PolarHBondContact O-N 3.14Å; L125-T129 PolarHBondContact O-OG1 3.19Å; H126-T129 WeakPolarHBondContact O-CB 3.47Å; H126-T129 PolarHBondContact O-N 2.99Å; H126-T129 VanDerWaalsContact O-N 3.14Å; L127-T129 VanDerWaalsContact C-N 3.3Å; L127-T129 PolarHBondContact O-N 3Å; T129-V131 VanDerWaalsContact C-N 3.34Å; T129-V131 PolarHBondContact O-N 3.25Å; T129-I132 PolarHBondContact O-N 2.95Å; T129-E133 WeakPolarHBondContact O-CG 3.48Å; T129-E133 PolarHBondContact O-N 3.42Å
130Q93.3Very high92.6Very high69 Ų6957.5 Ų57.532%0.32229%0.287SS..Hα-helixtrans-60.6-40.4175.2-67.5-61-69.400112.5H126 L127 I132 E133 I134H126-Q130 WeakPolarHBondContact O-CG 3.09Å; H126-Q130 PolarHBondContact O-N 3.49Å; L127-Q130 PolarHBondContact O-N 3.44Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; Q130-I132 PolarHBondContact O-N 3.34Å; Q130-E133 PolarHBondContact NE2-OE2 3.42Å; Q130-E133 PolarHBondContact O-N 3.42Å; Q130-I134 WeakPolarHBondContact O-CB 3.37Å; Q130-I134 VanDerWaalsContact O-CG1 3.24Å; Q130-I134 WeakPolarHBondContact O-CG1 3.41Å; Q130-I134 PolarHBondContact O-N 2.92Å
131V93.8Very high92.8Very high1 Ų155 Ų551%0.00627%0.274CS..Hα-helixtrans-61.9-41.2175.9172.90000111.7L46 I50 L127 C128 T129 I134 S135L46-V131 HydrophobicContact CD2-CG1 4.11Å; I50-V131 HydrophobicContact CG1-CG1 3.92Å; L127-V131 WeakPolarHBondContact O-CG2 3.47Å; L127-V131 PolarHBondContact O-N 3.05Å; C128-V131 PolarHBondContact O-N 3.37Å; T129-V131 VanDerWaalsContact C-N 3.34Å; T129-V131 PolarHBondContact O-N 3.25Å; V131-I134 PolarHBondContact O-N 3.16Å; V131-S135 WeakPolarHBondContact O-CB 3.45Å; V131-S135 PolarHBondContact O-N 2.99Å
132I92.3Very high93Very high18 Ų1857.8 Ų57.89%0.09228%0.284CS..Hα-helixtrans-65-47.2177.8-66.4164.6000110.3C75 K76 C128 T129 Q130 I134 S135 E136C75-I132 HydrophobicContact CB-CG1 4.48Å; K76-I132 HydrophobicContact CG-CD1 3.92Å; K76-I132 HydrophobicContact CG-CG1 4.31Å; C128-I132 WeakPolarHBondContact O-CG1 3.15Å; C128-I132 PolarHBondContact O-N 3.46Å; C128-I132 VanDerWaalsContact O-N 3.1Å; T129-I132 PolarHBondContact O-N 2.95Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; Q130-I132 PolarHBondContact O-N 3.34Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 3.47Å; I132-S135 WeakPolarHBondContact O-CB 3.26Å; I132-S135 PolarHBondContact O-N 3.06Å; I132-S135 VanDerWaalsContact O-N 3.12Å; I132-E136 WeakPolarHBondContact O-CG 3.21Å; I132-E136 PolarHBondContact O-N 3.32Å
133E93.8Very high93Very high94 Ų9458.9 Ų58.944%0.43928%0.281SS..Hα-helixtrans-58.7-43.6177-72173.9-173.400112T129 Q130 S135 E136 Y137T129-E133 WeakPolarHBondContact O-CG 3.48Å; T129-E133 PolarHBondContact O-N 3.42Å; Q130-E133 PolarHBondContact NE2-OE2 3.42Å; Q130-E133 PolarHBondContact O-N 3.42Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 3.42Å; E133-E136 PolarHBondContact O-N 3.01Å; E133-Y137 WeakPolarHBondContact O-CB 3.47Å; E133-Y137 PolarHBondContact O-N 3.21Å
134I93.3Very high93Very high37 Ų3758.6 Ų58.619%0.1927%0.274CS..Hα-helixtrans-63.3-40.5176.1-69.5166.8000111L42 L46 Y49 Q130 V131 I132 E136 Y137 R138L42-I134 HydrophobicContact CD2-CG2 4.1Å; L46-I134 HydrophobicContact CB-CG2 4.49Å; L46-I134 HydrophobicContact CD1-CG2 4.36Å; L46-I134 HydrophobicContact CG-CG2 4.36Å; Y49-I134 HydrophobicContact CD2-CD1 4.14Å; Y49-I134 HydrophobicContact CE2-CD1 4.05Å; Q130-I134 WeakPolarHBondContact O-CB 3.37Å; Q130-I134 VanDerWaalsContact O-CG1 3.24Å; Q130-I134 WeakPolarHBondContact O-CG1 3.41Å; Q130-I134 PolarHBondContact O-N 2.92Å; V131-I134 PolarHBondContact O-N 3.16Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 3.47Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 3.44Å; I134-Y137 PolarHBondContact O-N 2.96Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.48Å
135S93.2Very high92.9Very high21 Ų2158.7 Ų58.715%0.14728%0.275CS..Hα-helixtrans-64.4-38176.8-174.10000112.6V131 I132 E133 T139V131-S135 WeakPolarHBondContact O-CB 3.45Å; V131-S135 PolarHBondContact O-N 2.99Å; I132-S135 WeakPolarHBondContact O-CB 3.26Å; I132-S135 PolarHBondContact O-N 3.06Å; I132-S135 VanDerWaalsContact O-N 3.12Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 3.42Å; S135-T139 PolarHBondContact O-N 3.11Å; S135-T139 PolarHBondContact O-OG1 3.04Å; S135-T139 VanDerWaalsContact O-OG1 3.05Å
136E93.7Very high92.8Very high110 Ų11059.8 Ų59.851%0.51428%0.279SS..Hα-helixtrans-67.9-45.8174.5-71.3177.7-177.500110.9I132 E133 I134 R138 T139 Q140I132-E136 WeakPolarHBondContact O-CG 3.21Å; I132-E136 PolarHBondContact O-N 3.32Å; E133-E136 PolarHBondContact O-N 3.01Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 3.44Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.48Å; E136-T139 WeakPolarHBondContact O-CB 3.32Å; E136-T139 PolarHBondContact O-N 2.87Å; E136-Q140 WeakPolarHBondContact O-CG 3.5Å; E136-Q140 PolarHBondContact O-N 3.39Å
137Y94.4Very high92.6Very high109 Ų10959.4 Ų59.443%0.42728%0.281SS..Hα-helixtrans-59.2-40.8176.2178.6-114.3000112.2L38 L42 E133 I134 T139 Q140 L141L38-Y137 HydrophobicContact CD2-CE1 4.41Å; L42-Y137 HydrophobicContact CD1-CD1 3.74Å; L42-Y137 HydrophobicContact CD1-CE1 3.84Å; E133-Y137 WeakPolarHBondContact O-CB 3.47Å; E133-Y137 PolarHBondContact O-N 3.21Å; I134-Y137 PolarHBondContact O-N 2.96Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.3Å; Y137-Q140 PolarHBondContact O-N 3.34Å; Y137-L141 WeakPolarHBondContact O-CB 3.48Å; Y137-L141 PolarHBondContact O-N 2.89Å
138R94.2Very high92.3Very high82 Ų8263.5 Ų63.531%0.30929%0.294SS..Hα-helixtrans-55.9-43.2173-176.7-154.5-178-1081.8111.9L39 D43 I134 E136 L141 Y142L39-R138 HydrophobicContact CD1-CG 3.74Å; D43-R138 IonicContact OD1-CZ 3.82Å; D43-R138 VanDerWaalsContact OD1-CZ 3.27Å; D43-R138 IonicContact OD1-NE 2.76Å; D43-R138 PolarHBondContact OD1-NE 2.69Å; D43-R138 IonicContact OD1-NH2 2.98Å; D43-R138 PolarHBondContact OD1-NH2 2.98Å; D43-R138 VanDerWaalsContact OD1-NH2 3.13Å; D43-R138 IonicContact OD2-CZ 3.44Å; D43-R138 IonicContact OD2-NE 2.95Å; D43-R138 IonicContact OD2-NH2 3.27Å; D43-R138 PolarHBondContact OD2-NH2 3.49Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.48Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.48Å; R138-L141 PolarHBondContact O-N 2.93Å; R138-Y142 WeakPolarHBondContact O-CB 3.33Å; R138-Y142 PolarHBondContact O-N 2.95Å
139T94.2Very high91.9Very high69 Ų6963.5 Ų63.542%0.42329%0.294SS..Hα-helixtrans-66-43.7179-54.10000110.9S135 E136 Y137 L141 Y142 E143S135-T139 PolarHBondContact O-N 3.11Å; S135-T139 PolarHBondContact O-OG1 3.04Å; S135-T139 VanDerWaalsContact O-OG1 3.05Å; E136-T139 WeakPolarHBondContact O-CB 3.32Å; E136-T139 PolarHBondContact O-N 2.87Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.3Å; T139-L141 PolarHBondContact O-N 3.35Å; T139-Y142 WeakPolarHBondContact O-CB 3.41Å; T139-Y142 PolarHBondContact O-N 3.29Å; T139-E143 PolarHBondContact O-N 3.03Å
140Q94.9Very high91.6Very high116 Ų11666.6 Ų66.654%0.54231%0.307SS..Hα-helixtrans-63.1-40.5175.3-65.2173.414.100112.2E136 Y137 Y142 E143 Y144E136-Q140 WeakPolarHBondContact O-CG 3.5Å; E136-Q140 PolarHBondContact O-N 3.39Å; Y137-Q140 PolarHBondContact O-N 3.34Å; Q140-Y142 VanDerWaalsContact C-N 3.3Å; Q140-Y142 PolarHBondContact O-N 3.48Å; Q140-E143 PolarHBondContact O-N 3.14Å; Q140-Y144 WeakPolarHBondContact O-CB 3.35Å; Q140-Y144 PolarHBondContact O-N 3.15Å
141L93Very high91.1Very high15 Ų1567 Ų678%0.07932%0.322CS..Hα-helixtrans-64.4-37.6176.8-175.265000111.4A35 L38 L39 L42 Y137 R138 T139 Y144 L145A35-L141 HydrophobicContact CB-CD1 4.45Å; L38-L141 HydrophobicContact CB-CD2 4.24Å; L38-L141 HydrophobicContact CD2-CD1 4.47Å; L38-L141 HydrophobicContact CD2-CD2 3.83Å; L38-L141 HydrophobicContact CG-CD2 3.87Å; L39-L141 HydrophobicContact CB-CD2 4.25Å; L39-L141 HydrophobicContact CD1-CD2 4.16Å; L42-L141 HydrophobicContact CD1-CD2 3.95Å; Y137-L141 WeakPolarHBondContact O-CB 3.48Å; Y137-L141 PolarHBondContact O-N 2.89Å; R138-L141 PolarHBondContact O-N 2.93Å; T139-L141 PolarHBondContact O-N 3.35Å; L141-Y144 HydrophobicContact CD1-CD1 4.29Å; L141-Y144 WeakPolarHBondContact O-CB 3.27Å; L141-Y144 PolarHBondContact O-N 3.32Å; L141-L145 WeakPolarHBondContact O-CB 3.46Å; L141-L145 PolarHBondContact O-N 3.12Å
142Y92.6Very high90.4Very high72 Ų7269.1 Ų69.128%0.28233%0.333SS..Hα-helixtrans-63-48.1174.5-176.9-94.7000112.1L39 R138 T139 Q140 Y144 L145 Q146 L163L39-Y142 HydrophobicContact CD2-CD2 4.31Å; R138-Y142 WeakPolarHBondContact O-CB 3.33Å; R138-Y142 PolarHBondContact O-N 2.95Å; T139-Y142 WeakPolarHBondContact O-CB 3.41Å; T139-Y142 PolarHBondContact O-N 3.29Å; Q140-Y142 VanDerWaalsContact C-N 3.3Å; Q140-Y142 PolarHBondContact O-N 3.48Å; Y142-Y144 VanDerWaalsContact C-N 3.31Å; Y142-Y144 PolarHBondContact O-N 3.41Å; Y142-L145 WeakPolarHBondContact O-CB 3.4Å; Y142-L145 PolarHBondContact O-N 3Å; Y142-L145 VanDerWaalsContact O-N 3.17Å; Y142-Q146 PolarHBondContact O-N 2.99Å; Y142-L163 HydrophobicContact CD2-CD2 4.35Å; Y142-L163 HydrophobicContact CE2-CD1 3.68Å; Y142-L163 HydrophobicContact CE2-CD2 3.83Å; Y142-L163 HydrophobicContact CE2-CG 3.63Å
143E92.6Very high89.7Confident104 Ų10468.3 Ų68.349%0.48633%0.329SS..Hα-helixtrans-61.6-39.9175.4-70177.4-17600111.9T139 Q140 L145 Q146 N147T139-E143 PolarHBondContact O-N 3.03Å; Q140-E143 PolarHBondContact O-N 3.14Å; E143-L145 PolarHBondContact O-N 2.91Å; E143-Q146 PolarHBondContact O-N 3.03Å; E143-N147 PolarHBondContact O-N 3.34Å; E143-N147 PolarHBondContact O-ND2 3.37Å
144Y90.8Very high89.2Confident80 Ų8066.7 Ų66.731%0.31433%0.327SS..Hα-helixtrans-59-46.1173.2170.2-98.7000111.7Q140 L141 Y142 N147 R148Q140-Y144 WeakPolarHBondContact O-CB 3.35Å; Q140-Y144 PolarHBondContact O-N 3.15Å; L141-Y144 HydrophobicContact CD1-CD1 4.29Å; L141-Y144 WeakPolarHBondContact O-CB 3.27Å; L141-Y144 PolarHBondContact O-N 3.32Å; Y142-Y144 VanDerWaalsContact C-N 3.31Å; Y142-Y144 PolarHBondContact O-N 3.41Å; Y144-N147 PolarHBondContact O-N 3.04Å; Y144-R148 HydrophobicContact CD2-CG 4.32Å; Y144-R148 HydrophobicContact CE1-CG 4.09Å; Y144-R148 HydrophobicContact CE2-CG 3.79Å; Y144-R148 WeakPolarHBondContact O-CB 3.32Å; Y144-R148 WeakPolarHBondContact O-CG 3.48Å; Y144-R148 PolarHBondContact O-N 3.14Å; Y144-R148 PolarHBondContact OH-NE 3.15Å
145L90Very high88.7Confident5 Ų569.9 Ų69.93%0.02634%0.344CS..Hα-helixtrans-62.3-43177.8-171.772.2000111.3I32 A35 I36 L141 Y142 E143 R148 M149 A166I32-L145 HydrophobicContact CG2-CD1 4.04Å; A35-L145 HydrophobicContact CB-CD1 4Å; I36-L145 HydrophobicContact CD1-CD2 4.08Å; L141-L145 WeakPolarHBondContact O-CB 3.46Å; L141-L145 PolarHBondContact O-N 3.12Å; Y142-L145 WeakPolarHBondContact O-CB 3.4Å; Y142-L145 PolarHBondContact O-N 3Å; Y142-L145 VanDerWaalsContact O-N 3.17Å; E143-L145 PolarHBondContact O-N 2.91Å; L145-R148 PolarHBondContact O-N 3.41Å; L145-M149 WeakPolarHBondContact O-CB 3.39Å; L145-M149 PolarHBondContact O-N 2.98Å; L145-A166 HydrophobicContact CD1-CB 4.38Å; L145-A166 HydrophobicContact CD2-CB 4.07Å; L145-A166 HydrophobicContact CG-CB 4.48Å
146Q89.2Confident88Confident66 Ų6670.3 Ų70.331%0.30835%0.346SS..Hα-helixtrans-59.6-50.9178.1-173.2174.520.400111.7Y142 E143 R148 M149 M150 E162Y142-Q146 PolarHBondContact O-N 2.99Å; E143-Q146 PolarHBondContact O-N 3.03Å; Q146-R148 VanDerWaalsContact C-N 3.31Å; Q146-R148 PolarHBondContact O-N 2.79Å; Q146-M149 PolarHBondContact O-N 3.47Å; Q146-M150 WeakPolarHBondContact O-CB 3.38Å; Q146-M150 PolarHBondContact O-N 3.12Å; Q146-E162 HydrophobicContact CG-CG 3.89Å; Q146-E162 WeakPolarHBondContact CG-OE1 3.46Å; Q146-E162 PolarHBondContact NE2-OE1 3.35Å
147N89.4Confident87.5Confident108 Ų10865.5 Ų65.558%0.57832%0.324SS*.Hα-helixtrans-62.4-38.9179.2-73.2-47.8000112.1E143 Y144 A151E143-N147 PolarHBondContact O-N 3.34Å; E143-N147 PolarHBondContact O-ND2 3.37Å; Y144-N147 PolarHBondContact O-N 3.04Å; N147-A151 PolarHBondContact O-N 3.29Å
148R85.2Confident87Confident121 Ų12166.3 Ų66.346%0.45734%0.34SS..Hα-helixtrans-68.5-46.3176.9-79.3-64.4-168.3-133.12.7112.2Y144 L145 Q146 M150 A151 I152Y144-R148 HydrophobicContact CD2-CG 4.32Å; Y144-R148 HydrophobicContact CE1-CG 4.09Å; Y144-R148 HydrophobicContact CE2-CG 3.79Å; Y144-R148 WeakPolarHBondContact O-CB 3.32Å; Y144-R148 WeakPolarHBondContact O-CG 3.48Å; Y144-R148 PolarHBondContact O-N 3.14Å; Y144-R148 PolarHBondContact OH-NE 3.15Å; L145-R148 PolarHBondContact O-N 3.41Å; Q146-R148 VanDerWaalsContact C-N 3.31Å; Q146-R148 PolarHBondContact O-N 2.79Å; R148-M150 VanDerWaalsContact C-N 3.3Å; R148-M150 PolarHBondContact O-N 3.44Å; R148-A151 PolarHBondContact O-N 3.07Å; R148-A151 VanDerWaalsContact O-N 3.14Å; R148-I152 HydrophobicContact CB-CD1 4.45Å; R148-I152 VanDerWaalsContact O-CD1 3.3Å; R148-I152 WeakPolarHBondContact O-CD1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.32Å; R148-I152 PolarHBondContact O-N 3.07Å; R148-I152 VanDerWaalsContact O-N 3.09Å
149M84.3Confident86.3Confident0 Ų070.3 Ų70.30%036%0.364CS..Hα-helixtrans-60.9-42179.9-169.359.165.400111.5I32 L145 Q146 A151 I152 A153 T157 A166 I169I32-M149 HydrophobicContact CD1-CE 3.78Å; I32-M149 HydrophobicContact CD1-SD 4.24Å; I32-M149 HydrophobicContact CG1-CE 4.46Å; I32-M149 HydrophobicContact CG2-CE 3.63Å; L145-M149 WeakPolarHBondContact O-CB 3.39Å; L145-M149 PolarHBondContact O-N 2.98Å; Q146-M149 PolarHBondContact O-N 3.47Å; M149-A151 VanDerWaalsContact C-N 3.3Å; M149-A151 PolarHBondContact O-N 2.95Å; M149-I152 PolarHBondContact O-N 2.76Å; M149-A153 CarbonylContact O-C 3.43Å; M149-A153 WeakPolarHBondContact O-CA 3.16Å; M149-A153 PolarHBondContact O-N 2.67Å; M149-A153 HydrophobicContact SD-CB 4.07Å; M149-T157 VanDerWaalsContact CG-OG1 3.31Å; M149-T157 WeakPolarHBondContact CG-OG1 3.38Å; M149-A166 HydrophobicContact CE-CB 3.49Å; M149-A166 VanDerWaalsContact CE-CB 3.49Å; M149-I169 HydrophobicContact CE-CD1 3.93Å; M149-I169 HydrophobicContact SD-CD1 3.73Å
150M85.4Confident85.7Confident101 Ų10170.4 Ų70.450%0.49836%0.364SS..Hα-helixtrans-63.6-35.2176.8-169.6178-67.900112.7Q146 R148 P154Q146-M150 WeakPolarHBondContact O-CB 3.38Å; Q146-M150 PolarHBondContact O-N 3.12Å; R148-M150 VanDerWaalsContact C-N 3.3Å; R148-M150 PolarHBondContact O-N 3.44Å; M150-P154 WeakPolarHBondContact O-CD 3.43Å
151A83.8Confident85.1Confident79 Ų7966 Ų6665%0.65335%0.35SS*.Hα-helixtrans-73.1-29.817800000113.6N147 R148 M149N147-A151 PolarHBondContact O-N 3.29Å; R148-A151 PolarHBondContact O-N 3.07Å; R148-A151 VanDerWaalsContact O-N 3.14Å; M149-A151 VanDerWaalsContact C-N 3.3Å; M149-A151 PolarHBondContact O-N 2.95Å
152I79.1Confident84.7Confident44 Ų4467.2 Ų67.223%0.22636%0.356CS..Hα-helixtrans-93.2-37.8-175.8-65.7155.4000110.9V28 I32 R148 M149V28-I152 HydrophobicContact CG1-CD1 3.22Å; V28-I152 HydrophobicContact CG1-CG1 3.54Å; I32-I152 HydrophobicContact CD1-CD1 3.36Å; I32-I152 HydrophobicContact CG1-CD1 4.07Å; R148-I152 HydrophobicContact CB-CD1 4.45Å; R148-I152 VanDerWaalsContact O-CD1 3.3Å; R148-I152 WeakPolarHBondContact O-CD1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.32Å; R148-I152 PolarHBondContact O-N 3.07Å; R148-I152 VanDerWaalsContact O-N 3.09Å; M149-I152 PolarHBondContact O-N 2.76Å
153A77.2Confident84.2Confident2 Ų266.3 Ų66.32%0.01736%0.356CS..  trans-148.265.8-165.900000112.7M149 N155 V156 T157 W191M149-A153 CarbonylContact O-C 3.43Å; M149-A153 WeakPolarHBondContact O-CA 3.16Å; M149-A153 PolarHBondContact O-N 2.67Å; M149-A153 HydrophobicContact SD-CB 4.07Å; A153-N155 VanDerWaalsContact C-N 3.3Å; A153-N155 PolarHBondContact O-N 3.31Å; A153-V156 HydrophobicContact CB-CB 4.47Å; A153-V156 PolarHBondContact O-N 3.32Å; A153-T157 WeakPolarHBondContact O-CB 3.46Å; A153-T157 PolarHBondContact O-N 3.01Å; A153-T157 PolarHBondContact O-OG1 3.42Å; A153-W191 HydrophobicContact CB-CE3 3.28Å; A153-W191 HydrophobicContact CB-CH2 4.39Å; A153-W191 HydrophobicContact CB-CZ3 3.11Å
154P82.9Confident83.7Confident59 Ų5964.8 Ų64.838%0.38335%0.353SS..Hα-helixtrans-62.9-37.3-177.724.9-33.4000112M150 T157 V158M150-P154 WeakPolarHBondContact O-CD 3.43Å; P154-T157 WeakPolarHBondContact O-CB 3.31Å; P154-T157 PolarHBondContact O-N 2.81Å; P154-V158 VanDerWaalsContact O-CG2 3.26Å; P154-V158 WeakPolarHBondContact O-CG2 3.27Å; P154-V158 PolarHBondContact O-N 3.22Å
155N83Confident83.4Confident104 Ų10461 Ų6156%0.55634%0.338SS*.Hα-helixtrans-66.3-43.7-177.8-63.4-27.7000112.3A153 V158 M159A153-N155 VanDerWaalsContact C-N 3.3Å; A153-N155 PolarHBondContact O-N 3.31Å; N155-V158 PolarHBondContact O-N 2.77Å; N155-M159 WeakPolarHBondContact O-CG 3.22Å; N155-M159 PolarHBondContact O-N 2.88Å; N155-M159 VanDerWaalsContact O-N 3.13Å
156V78.5Confident83Confident30 Ų3060.8 Ų60.818%0.18234%0.337CS..Hα-helixtrans-73.4-36.2180178.90000111.4A153 V158 M159 V160 W191A153-V156 HydrophobicContact CB-CB 4.47Å; A153-V156 PolarHBondContact O-N 3.32Å; V156-V158 VanDerWaalsContact C-N 3.34Å; V156-V158 PolarHBondContact O-N 3.37Å; V156-M159 PolarHBondContact O-N 3.45Å; V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 PolarHBondContact O-N 3.25Å; V156-W191 HydrophobicContact CB-CE3 4.43Å; V156-W191 HydrophobicContact CB-CH2 3.6Å; V156-W191 HydrophobicContact CB-CZ2 4.32Å; V156-W191 HydrophobicContact CB-CZ3 3.67Å; V156-W191 HydrophobicContact CG1-CH2 3.65Å; V156-W191 HydrophobicContact CG1-CZ2 4.38Å; V156-W191 HydrophobicContact CG1-CZ3 4.17Å; V156-W191 HydrophobicContact CG2-CD2 4.15Å; V156-W191 HydrophobicContact CG2-CE3 3.87Å; V156-W191 HydrophobicContact CG2-CH2 3.28Å; V156-W191 HydrophobicContact CG2-CZ2 3.52Å; V156-W191 HydrophobicContact CG2-CZ3 3.47Å; V156-W191 VanDerWaalsContact CG2-CZ3 3.47Å
157T83.6Confident82.8Confident9 Ų963.7 Ų63.76%0.05535%0.345CS..Hα-helixtrans-54.1-50.1170.3-61.40000111.3M149 A153 P154 M159 G161 E162M149-T157 VanDerWaalsContact CG-OG1 3.31Å; M149-T157 WeakPolarHBondContact CG-OG1 3.38Å; A153-T157 WeakPolarHBondContact O-CB 3.46Å; A153-T157 PolarHBondContact O-N 3.01Å; A153-T157 PolarHBondContact O-OG1 3.42Å; P154-T157 WeakPolarHBondContact O-CB 3.31Å; P154-T157 PolarHBondContact O-N 2.81Å; T157-M159 VanDerWaalsContact C-N 3.34Å; T157-M159 PolarHBondContact O-N 2.83Å; T157-G161 WeakPolarHBondContact O-CA 3.29Å; T157-G161 PolarHBondContact O-N 3.27Å; T157-E162 HydrophobicContact CG2-CG 3.52Å
158V83Confident82.5Confident127 Ų12763 Ų6377%0.7734%0.341SS*.Hα-helixtrans-67.6-33.4-178.21720000112.2P154 N155 V156P154-V158 VanDerWaalsContact O-CG2 3.26Å; P154-V158 WeakPolarHBondContact O-CG2 3.27Å; P154-V158 PolarHBondContact O-N 3.22Å; N155-V158 PolarHBondContact O-N 2.77Å; V156-V158 VanDerWaalsContact C-N 3.34Å; V156-V158 PolarHBondContact O-N 3.37Å
159M80.6Confident82.2Confident166 Ų16657.9 Ų57.982%0.81832%0.323SS*.Hα-helixtrans-81.3-39.8-177.8-73.3-165.982.200114.4N155 V156 T157N155-M159 WeakPolarHBondContact O-CG 3.22Å; N155-M159 PolarHBondContact O-N 2.88Å; N155-M159 VanDerWaalsContact O-N 3.13Å; V156-M159 PolarHBondContact O-N 3.45Å; T157-M159 VanDerWaalsContact C-N 3.34Å; T157-M159 PolarHBondContact O-N 2.83Å
160V81Confident82.1Confident70 Ų7059 Ų5942%0.42433%0.332SS..Hα-helixtrans-121.1-12.4-167.6-157.80000112.5V156 V164 L168V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 PolarHBondContact O-N 3.25Å; V160-V164 HydrophobicContact CG1-CB 3.8Å; V160-V164 HydrophobicContact CG1-CG1 3.49Å; V160-V164 VanDerWaalsContact CG1-CG1 3.49Å; V160-L168 HydrophobicContact CG1-CD1 4.36Å
161G82.9Confident81.7Confident24 Ų2460.5 Ų60.525%0.24734%0.337CS..  trans84.7158.9-172.500000112.8T157 G165T157-G161 WeakPolarHBondContact O-CA 3.29Å; T157-G161 PolarHBondContact O-N 3.27Å; G161-G165 PolarHBondContact O-N 3.43Å
162E82.9Confident81Confident40 Ų4059 Ų5919%0.18733%0.325CS..Hα-helixtrans-69.1-43.3-168.3-59.394.2152.400113.1Q146 T157 A166Q146-E162 HydrophobicContact CG-CG 3.89Å; Q146-E162 WeakPolarHBondContact CG-OE1 3.46Å; Q146-E162 PolarHBondContact NE2-OE1 3.35Å; T157-E162 HydrophobicContact CG2-CG 3.52Å; E162-A166 WeakPolarHBondContact O-CB 3.26Å; E162-A166 PolarHBondContact O-N 3.39Å
163L82.3Confident80.2Confident54 Ų5459.1 Ų59.128%0.28333%0.326SS..Hα-helixtrans-64.4-46.6179.3-83.9166.5000112.3I36 L39 Y142 A166 R167I36-L163 HydrophobicContact CD1-CD2 4.18Å; L39-L163 HydrophobicContact CD2-CD2 4.09Å; Y142-L163 HydrophobicContact CD2-CD2 4.35Å; Y142-L163 HydrophobicContact CE2-CD1 3.68Å; Y142-L163 HydrophobicContact CE2-CD2 3.83Å; Y142-L163 HydrophobicContact CE2-CG 3.63Å; L163-A166 PolarHBondContact O-N 3.22Å; L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 3.47Å
164V83.6Confident78.8Confident72 Ų7267.2 Ų67.244%0.43636%0.361SS..Hα-helixtrans-71.2-40-178.6-172.30000109.6V160 A166 R167 L168V160-V164 HydrophobicContact CG1-CB 3.8Å; V160-V164 HydrophobicContact CG1-CG1 3.49Å; V160-V164 VanDerWaalsContact CG1-CG1 3.49Å; V164-A166 PolarHBondContact O-N 3.29Å; V164-R167 PolarHBondContact O-N 3.36Å; V164-L168 HydrophobicContact CG1-CD1 4.32Å; V164-L168 HydrophobicContact CG1-CG 4.5Å; V164-L168 VanDerWaalsContact O-CG 3.26Å; V164-L168 WeakPolarHBondContact O-CG 3.46Å; V164-L168 PolarHBondContact O-N 3.14Å
165G82.8Confident76.9Confident0 Ų067.2 Ų67.20%036%0.363CS..Hα-helixtrans-56.2-47.4171.200000112.7G161 R167 L168 I169G161-G165 PolarHBondContact O-N 3.43Å; G165-R167 PolarHBondContact O-N 3.3Å; G165-L168 PolarHBondContact O-N 3.4Å; G165-I169 WeakPolarHBondContact O-CG1 3.43Å; G165-I169 PolarHBondContact O-N 3.41Å
166A82.8Confident75.2Confident0 Ų066.1 Ų66.10%036%0.357CS..Hα-helixtrans-60.3-45.1177.700000112.7I32 I36 L145 M149 E162 L163 V164 L168 I169 A170I32-A166 HydrophobicContact CG2-CB 4.01Å; I36-A166 HydrophobicContact CD1-CB 4.42Å; I36-A166 HydrophobicContact CG1-CB 4.5Å; L145-A166 HydrophobicContact CD1-CB 4.38Å; L145-A166 HydrophobicContact CD2-CB 4.07Å; L145-A166 HydrophobicContact CG-CB 4.48Å; M149-A166 HydrophobicContact CE-CB 3.49Å; M149-A166 VanDerWaalsContact CE-CB 3.49Å; E162-A166 WeakPolarHBondContact O-CB 3.26Å; E162-A166 PolarHBondContact O-N 3.39Å; L163-A166 PolarHBondContact O-N 3.22Å; V164-A166 PolarHBondContact O-N 3.29Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 2.91Å; A166-I169 PolarHBondContact O-N 3.4Å; A166-A170 PolarHBondContact O-N 3.37Å
167R84.4Confident73.5Confident128 Ų12869.1 Ų69.148%0.48339%0.385SS..Hα-helixtrans-65.4-36.5177.6-73.3-179.7-179.4156.51.1112.4I36 D40 L163 V164 G165 A170 H171I36-R167 HydrophobicContact CD1-CG 4.24Å; I36-R167 HydrophobicContact CG1-CG 3.97Å; D40-R167 IonicContact OD1-NH2 3.13Å; D40-R167 PolarHBondContact OD1-NH2 3.5Å; L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 3.47Å; V164-R167 PolarHBondContact O-N 3.36Å; G165-R167 PolarHBondContact O-N 3.3Å; R167-A170 PolarHBondContact O-N 2.9Å; R167-H171 WeakPolarHBondContact O-CB 3.36Å; R167-H171 PolarHBondContact O-N 3.39Å
168L82.9Confident71.3Confident93 Ų9372.2 Ų72.249%0.48742%0.418SS..Hα-helixtrans-64.4-42.5175.5-72.5171.5000111.9V160 V164 G165 A166 H171 A172V160-L168 HydrophobicContact CG1-CD1 4.36Å; V164-L168 HydrophobicContact CG1-CD1 4.32Å; V164-L168 HydrophobicContact CG1-CG 4.5Å; V164-L168 VanDerWaalsContact O-CG 3.26Å; V164-L168 WeakPolarHBondContact O-CG 3.46Å; V164-L168 PolarHBondContact O-N 3.14Å; G165-L168 PolarHBondContact O-N 3.4Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 2.91Å; L168-H171 PolarHBondContact O-N 2.86Å; L168-A172 WeakPolarHBondContact O-CB 3.5Å; L168-A172 PolarHBondContact O-N 2.95Å
169I79.9Confident69.2Low14 Ų1469 Ų697%0.07240%0.401CS..Hα-helixtrans-62.7-46.6175.3-65176000110.2D29 I32 M149 G165 A166 H171 A172 D173 W191D29-I169 HydrophobicContact CB-CG2 4.32Å; I32-I169 HydrophobicContact CD1-CD1 4.46Å; M149-I169 HydrophobicContact CE-CD1 3.93Å; M149-I169 HydrophobicContact SD-CD1 3.73Å; G165-I169 WeakPolarHBondContact O-CG1 3.43Å; G165-I169 PolarHBondContact O-N 3.41Å; A166-I169 PolarHBondContact O-N 3.4Å; I169-H171 VanDerWaalsContact C-N 3.27Å; I169-H171 PolarHBondContact O-N 2.93Å; I169-A172 PolarHBondContact O-N 2.72Å; I169-A172 VanDerWaalsContact O-N 3.15Å; I169-D173 PolarHBondContact O-N 2.89Å; I169-W191 HydrophobicContact CD1-CH2 4.08Å; I169-W191 HydrophobicContact CD1-CZ3 3.97Å; I169-W191 HydrophobicContact CG1-CH2 4.08Å; I169-W191 HydrophobicContact CG1-CZ3 4.45Å
170A80.8Confident67.1Low23 Ų2370.2 Ų70.219%0.1941%0.405CS..Hα-helixtrans-57.7-38.9176.300000113.1V33 I36 A166 R167V33-A170 HydrophobicContact CB-CB 4.4Å; V33-A170 HydrophobicContact CG1-CB 3.98Å; V33-A170 HydrophobicContact CG2-CB 4.05Å; I36-A170 HydrophobicContact CG2-CB 3.95Å; A166-A170 PolarHBondContact O-N 3.37Å; R167-A170 PolarHBondContact O-N 2.9Å
171H77.1Confident64.6Low133 Ų13372.6 Ų72.662%0.61642%0.415SS*.Hα-helixtrans-75.5-33.3177.9-161.1-61.5000112.9R167 L168 I169 S175R167-H171 WeakPolarHBondContact O-CB 3.36Å; R167-H171 PolarHBondContact O-N 3.39Å; L168-H171 PolarHBondContact O-N 2.86Å; I169-H171 VanDerWaalsContact C-N 3.27Å; I169-H171 PolarHBondContact O-N 2.93Å; H171-S175 PolarHBondContact O-N 3.43Å; H171-S175 PolarHBondContact O-OG 2.91Å
172A70Confident62.2Low48 Ų4877.2 Ų77.240%0.39744%0.442SS..Hα-helixtrans-70.1-39.1178.100000112.1L168 I169 F174 S175 N176L168-A172 WeakPolarHBondContact O-CB 3.5Å; L168-A172 PolarHBondContact O-N 2.95Å; I169-A172 PolarHBondContact O-N 2.72Å; I169-A172 VanDerWaalsContact O-N 3.15Å; A172-F174 VanDerWaalsContact C-N 3.34Å; A172-F174 PolarHBondContact O-N 2.83Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 3.32Å; A172-S175 VanDerWaalsContact O-N 3.14Å; A172-N176 PolarHBondContact O-N 2.87Å; A172-N176 VanDerWaalsContact O-N 3.12Å
173D62.1Low59.8Low45 Ų4579.9 Ų79.924%0.24147%0.466CS..Hα-helixtrans-62.9-38176.8-87.6-11000112.6V33 I169 S175 N176 A177V33-D173 HydrophobicContact CG2-CB 4.48Å; I169-D173 PolarHBondContact O-N 2.89Å; D173-S175 VanDerWaalsContact C-N 3.27Å; D173-S175 PolarHBondContact O-N 3.28Å; D173-N176 PolarHBondContact O-N 3.44Å; D173-A177 PolarHBondContact O-N 3.32Å
174F47.8Very low57.6Low172 Ų17278.8 Ų78.875%0.75447%0.467SS*.Hα-helixtrans-62.5-35.2174.6-169.7-95.9000112.4A172A172-F174 VanDerWaalsContact C-N 3.34Å; A172-F174 PolarHBondContact O-N 2.83Å
175S43.9Very low55.5Low60 Ų6084.1 Ų84.142%0.4248%0.481SS..Hα-helixtrans-74.3-36.6-178.5-510000112H171 A172 D173 A177 G178 S179H171-S175 PolarHBondContact O-N 3.43Å; H171-S175 PolarHBondContact O-OG 2.91Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 3.32Å; A172-S175 VanDerWaalsContact O-N 3.14Å; D173-S175 VanDerWaalsContact C-N 3.27Å; D173-S175 PolarHBondContact O-N 3.28Å; S175-A177 VanDerWaalsContact C-N 3.32Å; S175-A177 PolarHBondContact O-N 2.93Å; S175-G178 PolarHBondContact O-N 2.97Å; S175-S179 PolarHBondContact O-N 3.44Å
176N45.9Very low53Low81 Ų8191.4 Ų91.443%0.43352%0.515SS..Hα-helixtrans-70.4-25.1177-78.9-23.9000113.2A172 D173 G178A172-N176 PolarHBondContact O-N 2.87Å; A172-N176 VanDerWaalsContact O-N 3.12Å; D173-N176 PolarHBondContact O-N 3.44Å; N176-G178 VanDerWaalsContact C-N 3.34Å
177A42.7Very low50.9Low93 Ų9397 Ų9777%0.76954%0.544SS*.Hα-helixtrans-71.8-27.6173.300000113D173 S175D173-A177 PolarHBondContact O-N 3.32Å; S175-A177 VanDerWaalsContact C-N 3.32Å; S175-A177 PolarHBondContact O-N 2.93Å
178G38.1Very low48.6Very low73 Ų7395.4 Ų95.475%0.75354%0.538SS*.Hα-helixtrans-93.7-17.9-179.600000115.4S175 N176S175-G178 PolarHBondContact O-N 2.97Å; N176-G178 VanDerWaalsContact C-N 3.34Å
179S38.6Very low46Very low59 Ų59102 Ų10241%0.41356%0.556SS.*  trans-143.798-179.1-157.40000111.7S175 N181S175-S179 PolarHBondContact O-N 3.44Å; S179-N181 PolarHBondContact O-N 2.93Å
180Q36.6Very low43.6Very low192 Ų192109.9 Ų109.990%0.89759%0.59SS**  trans-65.965155.4-74.9-175.7-14.500109.8
181N28.2Very low41.6Very low121 Ų121115.2 Ų115.265%0.64761%0.605SS**  trans-129.491.2171.2-80.9-25.1000110.3S179 S183S179-N181 PolarHBondContact O-N 2.93Å; N181-S183 PolarHBondContact O-N 3.44Å
182C31.9Very low39.8Very low120 Ų120114.3 Ų114.381%0.81161%0.605SS**SBendtrans36.2-1.4137.5-63.90000124
183S33.5Very low38.2Very low97 Ų97117.8 Ų117.868%0.67862%0.616SS**SBendtrans-108.7-16.3176.5-56.80000113.7N181 Y185 Q186N181-S183 PolarHBondContact O-N 3.44Å; S183-Y185 VanDerWaalsContact C-N 3.31Å; S183-Y185 PolarHBondContact O-N 3.33Å; S183-Q186 PolarHBondContact O-N 3.01Å
184G35.7Very low36.9Very low31 Ų31121.8 Ų121.832%0.3264%0.637SS.*THydrogen-bonded Turntrans-72-17.1179.800000115.2Q186G184-Q186 PolarHBondContact O-N 3.48Å
185Y39.3Very low36.2Very low183 Ų183118.9 Ų118.972%0.71863%0.63SS**THydrogen-bonded Turntrans-70-19.1175.9-80.9-82.7000113.3S183S183-Y185 VanDerWaalsContact C-N 3.31Å; S183-Y185 PolarHBondContact O-N 3.33Å
186Q30.9Very low35.7Very low154 Ų154122.6 Ų122.672%0.7264%0.643SS**THydrogen-bonded Turntrans-74.4-33.4-179.2-145.195.9-7.800112S183 G184S183-Q186 PolarHBondContact O-N 3.01Å; G184-Q186 PolarHBondContact O-N 3.48Å
187I39.2Very low35.1Very low118 Ų118125.3 Ų125.361%0.60566%0.657SS**THydrogen-bonded Turntrans-76.3-41178-64.3167.3000109.6R189 F190 W191I187-R189 PolarHBondContact O-N 3.2Å; I187-R189 VanDerWaalsContact O-N 3.07Å; I187-F190 PolarHBondContact O-N 3.13Å; I187-W191 PolarHBondContact O-NE1 3.14Å
188R35.8Very low34.5Very low94 Ų94127.6 Ų127.636%0.35565%0.649SS.*THydrogen-bonded Turntrans-63.5-10.2176.7-86.9-174.9164-162-7.2115.5D26 D29D26-R188 IonicContact OD1-CZ 3.49Å; D26-R188 IonicContact OD1-NH1 3.96Å; D26-R188 PolarHBondContact OD1-NH1 3.09Å; D26-R188 IonicContact OD1-NH2 3.58Å; D26-R188 PolarHBondContact OD1-NH2 3.35Å; D29-R188 IonicContact OD2-CZ 2.62Å; D29-R188 IonicContact OD2-NH2 3.42Å; D29-R188 PolarHBondContact OD2-NH2 3.47Å
189R27.6Very low34.2Very low230 Ų230131.8 Ų131.887%0.86864%0.641SS**THydrogen-bonded Turntrans-89.7-5173.6-112-174.5179-178.90.2114.3I187I187-R189 PolarHBondContact O-N 3.2Å; I187-R189 VanDerWaalsContact O-N 3.07Å
190F30.4Very low33.9Very low181 Ų181137.9 Ų137.979%0.79466%0.66SS**  trans-105.54.1173.6-93.2-84.3000113.5I187I187-F190 PolarHBondContact O-N 3.13Å
191W37.5Very low33.6Very low134 Ų134133 Ų13351%0.50864%0.638SS.*  trans-98.80168-56.874.6000109.1A153 V156 I169 I187A153-W191 HydrophobicContact CB-CE3 3.28Å; A153-W191 HydrophobicContact CB-CH2 4.39Å; A153-W191 HydrophobicContact CB-CZ3 3.11Å; V156-W191 HydrophobicContact CB-CE3 4.43Å; V156-W191 HydrophobicContact CB-CH2 3.6Å; V156-W191 HydrophobicContact CB-CZ2 4.32Å; V156-W191 HydrophobicContact CB-CZ3 3.67Å; V156-W191 HydrophobicContact CG1-CH2 3.65Å; V156-W191 HydrophobicContact CG1-CZ2 4.38Å; V156-W191 HydrophobicContact CG1-CZ3 4.17Å; V156-W191 HydrophobicContact CG2-CD2 4.15Å; V156-W191 HydrophobicContact CG2-CE3 3.87Å; V156-W191 HydrophobicContact CG2-CH2 3.28Å; V156-W191 HydrophobicContact CG2-CZ2 3.52Å; V156-W191 HydrophobicContact CG2-CZ3 3.47Å; V156-W191 VanDerWaalsContact CG2-CZ3 3.47Å; I169-W191 HydrophobicContact CD1-CH2 4.08Å; I169-W191 HydrophobicContact CD1-CZ3 3.97Å; I169-W191 HydrophobicContact CG1-CH2 4.08Å; I169-W191 HydrophobicContact CG1-CZ3 4.45Å; I187-W191 PolarHBondContact O-NE1 3.14Å

Retrieved 191 of 191 residues in 220.8 ms (Link to these results)

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