A0A087YRB6_POEFO Loading...

Chemokine (C-C motif) receptor 10

AlphaFold DB , UniProt , Accession A0A087YRB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 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
1T35.3Very low40.3Very low204 Ų204153.1 Ų153.1100%1.25278%0.78SS**  090.70-37.40000106.8
2E34.1Very low41.3Very low196 Ų196148 Ų14892%0.91676%0.755SS**  trans-112.9135.2-172.6-163162-174.100108.1
3K30.6Very low42.2Very low185 Ų185146 Ų14680%0.80475%0.748SS**  trans-93.8116-165.2-140.3-174.5-178.1-163.80108.1D5K3-D5 PolarHBondContact O-N 3.3Å; K3-D5 VanDerWaalsContact O-N 3.15Å
4M33Very low42.3Very low157 Ų157148.8 Ų148.877%0.77375%0.746SS**  trans-70.7104.3164.7-80.1176.4168.300108.4Y6M4-Y6 HydrophobicContact CB-CE2 4.21Å; M4-Y6 PolarHBondContact O-N 3.11Å
5D35.7Very low42.8Very low141 Ų141143.3 Ų143.375%0.75473%0.727SS**  trans-76.2113.6161.7-86.3-23.3000108.3K3K3-D5 PolarHBondContact O-N 3.3Å; K3-D5 VanDerWaalsContact O-N 3.15Å
6Y38.6Very low43.1Very low191 Ų191137.4 Ų137.475%0.74970%0.698SS**  trans-77.4130.2170.2-76.6-98.7000108.9M4 N8M4-Y6 HydrophobicContact CB-CE2 4.21Å; M4-Y6 PolarHBondContact O-N 3.11Å; Y6-N8 PolarHBondContact O-N 3.49Å; Y6-N8 VanDerWaalsContact O-N 3.17Å
7P44Very low43.7Very low111 Ų111133.8 Ų133.872%0.72168%0.68SS**  trans-66.8115.5174.226.7-32.4000109.8C9P7-C9 PolarHBondContact O-N 3.23Å; P7-C9 PolarHBondContact O-SG 3.04Å
8N43.2Very low44.1Very low135 Ų135130.7 Ų130.772%0.72266%0.664SS**  trans-73.9119.7-177.1-161.532.4000111Y6 D10Y6-N8 PolarHBondContact O-N 3.49Å; Y6-N8 VanDerWaalsContact O-N 3.17Å; N8-D10 PolarHBondContact ND2-OD2 3.1Å; N8-D10 PolarHBondContact OD1-OD2 2.98Å
9C52.1Low44.4Very low57 Ų57129.5 Ų129.539%0.38565%0.654SS.*  trans-10621-167.1-67.80000114.6P7 H11P7-C9 PolarHBondContact O-N 3.23Å; P7-C9 PolarHBondContact O-SG 3.04Å; C9-H11 VanDerWaalsContact C-N 3.29Å; C9-H11 PolarHBondContact O-N 2.89Å
10D45.9Very low44.6Very low120 Ų120125.4 Ų125.464%0.64264%0.637SS**THydrogen-bonded Turntrans-75.7-1.4-169-66.9-30.5000116.1N8N8-D10 PolarHBondContact ND2-OD2 3.1Å; N8-D10 PolarHBondContact OD1-OD2 2.98Å
11H51Low44.7Very low187 Ų187128.3 Ų128.387%0.86664%0.641SS**THydrogen-bonded Turntrans-138.234.6-169.8-78.2-50.5000116C9C9-H11 VanDerWaalsContact C-N 3.29Å; C9-H11 PolarHBondContact O-N 2.89Å
12L51.7Low45Very low92 Ų92124.2 Ų124.248%0.48261%0.607SS.*  trans-113.2148.3179.8-72.2174000113.8D16 I17L12-D16 HydrophobicContact CB-CB 4.14Å; L12-D16 HydrophobicContact CD2-CB 4.37Å; L12-I17 HydrophobicContact CB-CG1 4.44Å; L12-I17 WeakPolarHBondContact O-CD1 3.35Å
13N52.8Low45.3Very low122 Ų122119.6 Ų119.665%0.65259%0.589SS**  trans-67.7159.2177.3-90.2-24.1000111.7S15 D16 I17N13-S15 VanDerWaalsContact C-N 3.25Å; N13-S15 PolarHBondContact O-N 3.32Å; N13-S15 VanDerWaalsContact O-N 3.11Å; N13-D16 WeakPolarHBondContact O-CA 3.49Å; N13-D16 PolarHBondContact O-N 3.2Å; N13-I17 PolarHBondContact O-N 3.12Å
14Y44.7Very low45.8Very low185 Ų185116.7 Ų116.773%0.72558%0.577SS**Hα-helixtrans-52.6-37.6-176.2-170.9-102.5000114.2D16 I18Y14-D16 VanDerWaalsContact C-N 3.3Å; Y14-D16 PolarHBondContact O-N 3.18Å; Y14-I18 HydrophobicContact CD1-CD1 4.04Å; Y14-I18 HydrophobicContact CE1-CD1 3.69Å; Y14-I18 WeakPolarHBondContact O-CG1 3.41Å; Y14-I18 PolarHBondContact O-N 3.1Å
15S48.9Very low46.1Very low67 Ų67112.6 Ų112.647%0.46956%0.563SS.*Hα-helixtrans-65.7-29.7174.750.50000114.2N13 K19N13-S15 VanDerWaalsContact C-N 3.25Å; N13-S15 PolarHBondContact O-N 3.32Å; N13-S15 VanDerWaalsContact O-N 3.11Å; S15-K19 WeakPolarHBondContact O-CG 3.48Å; S15-K19 PolarHBondContact O-N 3.46Å
16D48.2Very low46.1Very low49 Ų49112 Ų11226%0.26255%0.554SS.*Hα-helixtrans-93.3-24.9-177-55-46.2000111.2L12 N13 Y14 I18 K19 C20L12-D16 HydrophobicContact CB-CB 4.14Å; L12-D16 HydrophobicContact CD2-CB 4.37Å; N13-D16 WeakPolarHBondContact O-CA 3.49Å; N13-D16 PolarHBondContact O-N 3.2Å; Y14-D16 VanDerWaalsContact C-N 3.3Å; Y14-D16 PolarHBondContact O-N 3.18Å; D16-I18 VanDerWaalsContact C-N 3.35Å; D16-K19 PolarHBondContact O-N 3.32Å; D16-K19 IonicContact OD1-NZ 3.87Å; D16-K19 PolarHBondContact OD1-NZ 3.02Å; D16-C20 VanDerWaalsContact O-CB 3.24Å; D16-C20 WeakPolarHBondContact O-CB 3.44Å; D16-C20 PolarHBondContact O-N 3.03Å
17I52.4Low46Very low75 Ų75108.2 Ų108.239%0.38555%0.547SS..Hα-helixtrans-61.4-43.3163.2-64.2172.6000110.4L12 N13 C20 W21L12-I17 HydrophobicContact CB-CG1 4.44Å; L12-I17 WeakPolarHBondContact O-CD1 3.35Å; N13-I17 PolarHBondContact O-N 3.12Å; I17-C20 PolarHBondContact O-N 2.92Å; I17-W21 PolarHBondContact O-N 3.11Å
18I51.9Low45.5Very low78 Ų78107.6 Ų107.640%0.453%0.534SS..Hα-helixtrans-62-47.6175.6-69.4170.8000110.8Y14 D16 C20 W21 E22Y14-I18 HydrophobicContact CD1-CD1 4.04Å; Y14-I18 HydrophobicContact CE1-CD1 3.69Å; Y14-I18 WeakPolarHBondContact O-CG1 3.41Å; Y14-I18 PolarHBondContact O-N 3.1Å; D16-I18 VanDerWaalsContact C-N 3.35Å; I18-C20 VanDerWaalsContact C-N 3.27Å; I18-C20 PolarHBondContact O-N 3.15Å; I18-W21 CarbonylContact O-C 3.53Å; I18-W21 PolarHBondContact O-N 3.2Å; I18-E22 HydrophobicContact CG2-CG 4.44Å; I18-E22 PolarHBondContact O-N 3.32Å
19K49.7Very low45.2Very low109 Ų109103.5 Ų103.547%0.47452%0.516SS..Hα-helixtrans-62.6-33.1175-68.1171.2-164.2154.70113S15 D16 N23S15-K19 WeakPolarHBondContact O-CG 3.48Å; S15-K19 PolarHBondContact O-N 3.46Å; D16-K19 PolarHBondContact O-N 3.32Å; D16-K19 IonicContact OD1-NZ 3.87Å; D16-K19 PolarHBondContact OD1-NZ 3.02Å; K19-N23 VanDerWaalsContact O-CB 3.25Å; K19-N23 WeakPolarHBondContact O-CB 3.46Å; K19-N23 VanDerWaalsContact O-CG 3.3Å; K19-N23 PolarHBondContact O-N 3.33Å
20C47.2Very low44.3Very low46 Ų46104.7 Ų104.731%0.31152%0.519SS..Hα-helixtrans-69-40175.6-165.80000110.9D16 I17 I18 N23 F24D16-C20 VanDerWaalsContact O-CB 3.24Å; D16-C20 WeakPolarHBondContact O-CB 3.44Å; D16-C20 PolarHBondContact O-N 3.03Å; I17-C20 PolarHBondContact O-N 2.92Å; I18-C20 VanDerWaalsContact C-N 3.27Å; I18-C20 PolarHBondContact O-N 3.15Å; C20-N23 PolarHBondContact O-N 2.87Å; C20-F24 VanDerWaalsContact O-CB 3.25Å; C20-F24 WeakPolarHBondContact O-CB 3.45Å; C20-F24 PolarHBondContact O-N 3Å
21W48.1Very low43.7Very low187 Ų187106.7 Ų106.771%0.70852%0.522SS*.Hα-helixtrans-67.5-39.1171.1-98.983.6000113.3I17 I18 F24 S25I17-W21 PolarHBondContact O-N 3.11Å; I18-W21 CarbonylContact O-C 3.53Å; I18-W21 PolarHBondContact O-N 3.2Å; W21-F24 PolarHBondContact O-N 3.08Å; W21-S25 VanDerWaalsContact O-CB 3.24Å; W21-S25 WeakPolarHBondContact O-CB 3.37Å; W21-S25 PolarHBondContact O-N 2.92Å
22E41.8Very low43.1Very low119 Ų119103.3 Ų103.356%0.55650%0.503SS*.Hα-helixtrans-66.4-40173.5-75.1-176.3143.200111.5I18 K26I18-E22 HydrophobicContact CG2-CG 4.44Å; I18-E22 PolarHBondContact O-N 3.32Å; E22-K26 VanDerWaalsContact O-CB 3.29Å; E22-K26 WeakPolarHBondContact O-CB 3.37Å; E22-K26 PolarHBondContact O-N 3.48Å
23N40.6Very low42.3Very low99 Ų99106.2 Ų106.253%0.52951%0.514SS..Hα-helixtrans-72.4-31.3174.5-76.9-15.3000112.8K19 C20 N27K19-N23 VanDerWaalsContact O-CB 3.25Å; K19-N23 WeakPolarHBondContact O-CB 3.46Å; K19-N23 VanDerWaalsContact O-CG 3.3Å; K19-N23 PolarHBondContact O-N 3.33Å; C20-N23 PolarHBondContact O-N 2.87Å; N23-N27 WeakPolarHBondContact O-CB 3.38Å; N23-N27 PolarHBondContact O-N 3.39Å
24F40.1Very low41.3Very low124 Ų124106 Ų10654%0.54451%0.513SS..Hα-helixtrans-69.2-46.4171.7-172.1-89.2000110.2C20 W21 K26 N27 E28C20-F24 VanDerWaalsContact O-CB 3.25Å; C20-F24 WeakPolarHBondContact O-CB 3.45Å; C20-F24 PolarHBondContact O-N 3Å; W21-F24 PolarHBondContact O-N 3.08Å; F24-K26 VanDerWaalsContact C-N 3.3Å; F24-K26 PolarHBondContact O-N 3.16Å; F24-N27 PolarHBondContact O-N 3.22Å; F24-E28 VanDerWaalsContact O-CB 3.28Å; F24-E28 WeakPolarHBondContact O-CB 3.4Å; F24-E28 PolarHBondContact O-N 3.29Å
25S38.6Very low41.3Very low71 Ų71101 Ų10150%0.49750%0.499SS..Hα-helixtrans-66.7-29175.6-173.30000113W21 S29W21-S25 VanDerWaalsContact O-CB 3.24Å; W21-S25 WeakPolarHBondContact O-CB 3.37Å; W21-S25 PolarHBondContact O-N 2.92Å; S25-S29 PolarHBondContact O-N 3.44Å; S25-S29 PolarHBondContact O-OG 2.94Å
26K36.2Very low41.2Very low127 Ų127103.4 Ų103.455%0.55251%0.506SS*.Hα-helixtrans-71.8-49.9168.9-94.3-173.6167.7-175.20111.7E22 F24 E28 S29 D30E22-K26 VanDerWaalsContact O-CB 3.29Å; E22-K26 WeakPolarHBondContact O-CB 3.37Å; E22-K26 PolarHBondContact O-N 3.48Å; F24-K26 VanDerWaalsContact C-N 3.3Å; F24-K26 PolarHBondContact O-N 3.16Å; K26-E28 PolarHBondContact O-N 3.04Å; K26-E28 VanDerWaalsContact O-N 3.17Å; K26-S29 WeakPolarHBondContact CA-OG 3.41Å; K26-S29 CarbonylContact O-C 3.5Å; K26-S29 PolarHBondContact O-N 3.36Å; K26-S29 PolarHBondContact O-OG 3.08Å; K26-D30 VanDerWaalsContact O-CB 3.27Å; K26-D30 WeakPolarHBondContact O-CB 3.04Å; K26-D30 PolarHBondContact O-N 2.8Å
27N36.9Very low41.5Very low113 Ų113105.1 Ų105.160%0.60451%0.511SS*.Hα-helixtrans-59.7-30.9174.8-77.4-4.8000111.7N23 F24 F31N23-N27 WeakPolarHBondContact O-CB 3.38Å; N23-N27 PolarHBondContact O-N 3.39Å; F24-N27 PolarHBondContact O-N 3.22Å; N27-F31 WeakPolarHBondContact O-CB 3.48Å; N27-F31 PolarHBondContact O-N 3.41Å
28E33.8Very low42Very low97 Ų97102.8 Ų102.845%0.45350%0.501SS..Hα-helixtrans-77.6-27.7174.7-161.6169.8-14100112.9F24 K26 Y32F24-E28 VanDerWaalsContact O-CB 3.28Å; F24-E28 WeakPolarHBondContact O-CB 3.4Å; F24-E28 PolarHBondContact O-N 3.29Å; K26-E28 PolarHBondContact O-N 3.04Å; K26-E28 VanDerWaalsContact O-N 3.17Å; E28-Y32 WeakPolarHBondContact O-CD2 3.39Å
29S35.6Very low42.3Very low50 Ų50107.3 Ų107.335%0.3552%0.521SS..Hα-helixtrans-73-47.2166.457.50000112S25 K26 F31 Y32 E33S25-S29 PolarHBondContact O-N 3.44Å; S25-S29 PolarHBondContact O-OG 2.94Å; K26-S29 WeakPolarHBondContact CA-OG 3.41Å; K26-S29 CarbonylContact O-C 3.5Å; K26-S29 PolarHBondContact O-N 3.36Å; K26-S29 PolarHBondContact O-OG 3.08Å; S29-F31 VanDerWaalsContact C-N 3.31Å; S29-F31 PolarHBondContact O-N 3.42Å; S29-Y32 CarbonylContact O-C 3.38Å; S29-Y32 WeakPolarHBondContact O-CA 3.44Å; S29-Y32 PolarHBondContact O-N 2.96Å; S29-E33 PolarHBondContact O-N 3.02Å
30D33.4Very low42.9Very low82 Ų82104 Ų10444%0.43951%0.511SS..Hα-helixtrans-68.6-31.1-174.5-58.43.9000110.7K26 Y32 E33K26-D30 VanDerWaalsContact O-CB 3.27Å; K26-D30 WeakPolarHBondContact O-CB 3.04Å; K26-D30 PolarHBondContact O-N 2.8Å; D30-Y32 PolarHBondContact O-N 3.25Å; D30-E33 PolarHBondContact O-N 3.11Å
31F34.6Very low43.8Very low162 Ų162104.4 Ų104.471%0.71151%0.514SS*.Hα-helixtrans-70.8-11.8171.2-166.6-99.3000113.8N27 S29N27-F31 WeakPolarHBondContact O-CB 3.48Å; N27-F31 PolarHBondContact O-N 3.41Å; S29-F31 VanDerWaalsContact C-N 3.31Å; S29-F31 PolarHBondContact O-N 3.42Å
32Y38.5Very low44.6Very low116 Ų116100.8 Ų100.846%0.45551%0.512SS..Hα-helixtrans-117.62173.9-69.6-56.3000114.2E28 S29 D30E28-Y32 WeakPolarHBondContact O-CD2 3.39Å; S29-Y32 CarbonylContact O-C 3.38Å; S29-Y32 WeakPolarHBondContact O-CA 3.44Å; S29-Y32 PolarHBondContact O-N 2.96Å; D30-Y32 PolarHBondContact O-N 3.25Å
33E33.2Very low45.7Very low152 Ų15298.9 Ų98.971%0.7151%0.512SS*.Hα-helixtrans-94.9-2.7175.1-92.7-170.2167.600114.8S29 D30 D35S29-E33 PolarHBondContact O-N 3.02Å; D30-E33 PolarHBondContact O-N 3.11Å; E33-D35 PolarHBondContact O-N 3.31Å
34N32.9Very low47.1Very low118 Ų11896.5 Ų96.563%0.63150%0.498SS*.  trans-70.978.9156.4-8414.4000110.2D36N34-D36 PolarHBondContact O-N 3.27Å
35D45.2Very low48.6Very low81 Ų8195.8 Ų95.843%0.43350%0.495SS..  trans-67.975.2149-103.1-7.2000106.4E33 F37 K212E33-D35 PolarHBondContact O-N 3.31Å; D35-F37 VanDerWaalsContact C-N 3.32Å; D35-F37 HydrophobicContact CB-CE2 4.4Å; D35-F37 VanDerWaalsContact O-CD2 3.28Å; D35-F37 WeakPolarHBondContact O-CD2 3.4Å; D35-F37 PolarHBondContact O-N 2.93Å; D35-K212 IonicContact OD1-NZ 2.69Å; D35-K212 PolarHBondContact OD1-NZ 2.74Å; D35-K212 IonicContact OD2-NZ 2.65Å
36D46.7Very low50.2Low116 Ų116100.8 Ų100.862%0.6250%0.504SS*.  trans-62.190.7178.3-86.8-29.2000109.4N34 C38N34-D36 PolarHBondContact O-N 3.27Å; D36-C38 VanDerWaalsContact C-N 3.29Å; D36-C38 PolarHBondContact O-N 3.02Å
37F54.2Low52.3Low85 Ų8598.8 Ų98.837%0.37350%0.502SS..  trans-67.590.6169.1-82.5-86.3000109.1D35 E39 Y202D35-F37 VanDerWaalsContact C-N 3.32Å; D35-F37 HydrophobicContact CB-CE2 4.4Å; D35-F37 VanDerWaalsContact O-CD2 3.28Å; D35-F37 WeakPolarHBondContact O-CD2 3.4Å; D35-F37 PolarHBondContact O-N 2.93Å; F37-E39 PolarHBondContact O-N 2.89Å; F37-Y202 HydrophobicContact CD1-CE1 4.44Å; F37-Y202 AromaticContact CE1-CD1 3.74Å; F37-Y202 HydrophobicContact CE1-CD1 3.74Å; F37-Y202 AromaticContact CE1-CD2 3.86Å; F37-Y202 HydrophobicContact CE1-CD2 3.86Å; F37-Y202 AromaticContact CE1-CE1 3.76Å; F37-Y202 HydrophobicContact CE1-CE1 3.76Å; F37-Y202 AromaticContact CE1-CE2 3.9Å; F37-Y202 HydrophobicContact CE1-CE2 3.9Å; F37-Y202 AromaticContact CE1-CG 3.78Å; F37-Y202 HydrophobicContact CE1-CG 3.78Å; F37-Y202 AromaticContact CE1-CZ 3.84Å; F37-Y202 HydrophobicContact CZ-CD1 4.32Å; F37-Y202 AromaticContact CZ-CD2 3.82Å; F37-Y202 HydrophobicContact CZ-CD2 3.82Å; F37-Y202 HydrophobicContact CZ-CE2 4.2Å; F37-Y202 AromaticContact CZ-CG 3.9Å; F37-Y202 HydrophobicContact CZ-CG 3.9Å
38C61.8Low54.4Low26 Ų2693.9 Ų93.918%0.17648%0.476CS..  trans-38.9105.8166.1-70.70000111.7D36 P40 C289 L291D36-C38 VanDerWaalsContact C-N 3.29Å; D36-C38 PolarHBondContact O-N 3.02Å; C38-P40 WeakPolarHBondContact O-CD 3.31Å; C38-C289 WeakPolarHBondContact CA-SG 3.32Å; C38-C289 HydrophobicContact CB-CB 4.48Å; C38-C289 WeakPolarHBondContact CB-SG 3.44Å; C38-C289 WeakPolarHBondContact SG-CA 3.26Å; C38-C289 WeakPolarHBondContact SG-CB 3.37Å; C38-C289 CovalentContact SG-SG 2.02Å; C38-C289 PolarHBondContact SG-SG 3.29Å; C38-L291 HydrophobicContact CB-CB 4.36Å; C38-L291 HydrophobicContact CB-CD1 4.21Å
39E59.6Low56.7Low173 Ų17390.2 Ų90.281%0.80846%0.46SS*.PPolyproline II helixtrans-66.8117.1177.6-73.7-151.112500110.3F37F37-E39 PolarHBondContact O-N 2.89Å
40P62.3Low59.1Low41 Ų4194.1 Ų94.127%0.26648%0.475SS..PPolyproline II helixtrans-69139.1174.722.2-26.9000110.7C38 E44 K45 L291C38-P40 WeakPolarHBondContact O-CD 3.31Å; P40-E44 HydrophobicContact CB-CB 4.09Å; P40-K45 HydrophobicContact CB-CG 3.87Å; P40-K45 HydrophobicContact CG-CD 4.36Å; P40-K45 HydrophobicContact CG-CG 3.63Å; P40-K45 WeakPolarHBondContact O-CE 3.35Å; P40-L291 HydrophobicContact CB-CD2 3.61Å; P40-L291 HydrophobicContact CG-CD2 4.16Å
41S66.4Low61.7Low53 Ų5395.7 Ų95.737%0.37148%0.478SS..PPolyproline II helixtrans-63.5162.1170.768.20000111.7S43 E44 K45S41-S43 PolarHBondContact O-N 3.14Å; S41-S43 VanDerWaalsContact O-N 3.13Å; S41-S43 PolarHBondContact OG-OG 3.15Å; S41-E44 VanDerWaalsContact CB-OE2 3.26Å; S41-E44 WeakPolarHBondContact CB-OE2 3.47Å; S41-E44 PolarHBondContact N-OE2 3.44Å; S41-E44 PolarHBondContact O-N 3.24Å; S41-E44 VanDerWaalsContact OG-CG 3.25Å; S41-E44 WeakPolarHBondContact OG-CG 3.14Å; S41-E44 PolarHBondContact OG-OE2 3.37Å; S41-K45 PolarHBondContact O-N 2.99Å
42T64.3Low64.2Low111 Ų11188 Ų8868%0.68144%0.444SS*.THydrogen-bonded Turntrans-59.7-29.1-172.4-40.90000113.7Y46T42-Y46 WeakPolarHBondContact O-CD2 3.47Å; T42-Y46 WeakPolarHBondContact O-CE2 3.46Å
43S65.8Low66.6Low79 Ų7984 Ų8455%0.55243%0.432SS*.THydrogen-bonded Turntrans-78.7-41.5174.3470000112.4S41 K45 Y46 V47S41-S43 PolarHBondContact O-N 3.14Å; S41-S43 VanDerWaalsContact O-N 3.13Å; S41-S43 PolarHBondContact OG-OG 3.15Å; S43-K45 VanDerWaalsContact C-N 3.29Å; S43-K45 PolarHBondContact O-N 3.28Å; S43-Y46 PolarHBondContact O-N 3.3Å; S43-V47 WeakPolarHBondContact O-CG2 3.27Å; S43-V47 PolarHBondContact O-N 3.36Å
44E69.6Low69.3Low50 Ų5080.1 Ų80.123%0.23442%0.42CS..Hα-helixtrans-61.5-36.9178.4-71.1171.3138.300112.2P40 S41 Y46 I48 M292P40-E44 HydrophobicContact CB-CB 4.09Å; S41-E44 VanDerWaalsContact CB-OE2 3.26Å; S41-E44 WeakPolarHBondContact CB-OE2 3.47Å; S41-E44 PolarHBondContact N-OE2 3.44Å; S41-E44 PolarHBondContact O-N 3.24Å; S41-E44 VanDerWaalsContact OG-CG 3.25Å; S41-E44 WeakPolarHBondContact OG-CG 3.14Å; S41-E44 PolarHBondContact OG-OE2 3.37Å; E44-Y46 PolarHBondContact O-N 3.05Å; E44-I48 HydrophobicContact CB-CD1 3.75Å; E44-I48 HydrophobicContact CB-CG1 4.3Å; E44-I48 HydrophobicContact CG-CD1 4.18Å; E44-I48 WeakPolarHBondContact O-CB 3.47Å; E44-I48 WeakPolarHBondContact O-CG1 3.22Å; E44-I48 PolarHBondContact O-N 3.23Å; E44-I48 VanDerWaalsContact O-N 3.15Å; E44-M292 HydrophobicContact CG-CE 3.97Å; E44-M292 HydrophobicContact CG-CG 4.33Å; E44-M292 WeakPolarHBondContact OE1-CG 3.18Å
45K70.3Confident72.1Confident109 Ų10975.2 Ų75.247%0.47440%0.396SS..Hα-helixtrans-52-28.2175.1-78.3177.4175.7167.60114.2P40 S41 S43P40-K45 HydrophobicContact CB-CG 3.87Å; P40-K45 HydrophobicContact CG-CD 4.36Å; P40-K45 HydrophobicContact CG-CG 3.63Å; P40-K45 WeakPolarHBondContact O-CE 3.35Å; S41-K45 PolarHBondContact O-N 2.99Å; S43-K45 VanDerWaalsContact C-N 3.29Å; S43-K45 PolarHBondContact O-N 3.28Å
46Y73.1Confident74.3Confident176 Ų17671.4 Ų71.469%0.6938%0.376SS*.Hα-helixtrans-109.4-39.7-179.3-59.1-76000113.6T42 S43 E44 M50T42-Y46 WeakPolarHBondContact O-CD2 3.47Å; T42-Y46 WeakPolarHBondContact O-CE2 3.46Å; S43-Y46 PolarHBondContact O-N 3.3Å; E44-Y46 PolarHBondContact O-N 3.05Å; Y46-M50 WeakPolarHBondContact O-CB 3.44Å; Y46-M50 PolarHBondContact O-N 3.26Å
47V81.1Confident76.5Confident85 Ų8568.7 Ų68.752%0.51537%0.365SS..Hα-helixtrans-69.7-40.8-176175.70000111.4S43 F51S43-V47 WeakPolarHBondContact O-CG2 3.27Å; S43-V47 PolarHBondContact O-N 3.36Å; V47-F51 WeakPolarHBondContact O-CB 3.49Å; V47-F51 PolarHBondContact O-N 3.33Å
48I79.9Confident78.4Confident9 Ų970.3 Ų70.35%0.04638%0.377CS..Hα-helixtrans-64.1-53.6-176.3-63.7176.3000111.6E44 M50 F51 Q52 L291 M292 Y295E44-I48 HydrophobicContact CB-CD1 3.75Å; E44-I48 HydrophobicContact CB-CG1 4.3Å; E44-I48 HydrophobicContact CG-CD1 4.18Å; E44-I48 WeakPolarHBondContact O-CB 3.47Å; E44-I48 WeakPolarHBondContact O-CG1 3.22Å; E44-I48 PolarHBondContact O-N 3.23Å; E44-I48 VanDerWaalsContact O-N 3.15Å; I48-M50 VanDerWaalsContact C-N 3.34Å; I48-M50 PolarHBondContact O-N 2.68Å; I48-F51 PolarHBondContact O-N 2.93Å; I48-Q52 VanDerWaalsContact O-CB 3.27Å; I48-Q52 WeakPolarHBondContact O-CB 3.49Å; I48-Q52 PolarHBondContact O-N 3.48Å; I48-L291 HydrophobicContact CD1-CD2 4.49Å; I48-M292 HydrophobicContact CD1-CE 3.95Å; I48-M292 HydrophobicContact CD1-CG 3.94Å; I48-M292 HydrophobicContact CD1-SD 3.79Å; I48-M292 HydrophobicContact CG1-CE 3.5Å; I48-M292 HydrophobicContact CG1-CG 4.44Å; I48-M292 HydrophobicContact CG1-SD 3.64Å; I48-Y295 HydrophobicContact CD1-CD2 4.09Å; I48-Y295 HydrophobicContact CG2-CD1 4.17Å; I48-Y295 HydrophobicContact CG2-CD2 3.33Å; I48-Y295 HydrophobicContact CG2-CE2 3.81Å; I48-Y295 HydrophobicContact CG2-CG 3.51Å
49P81.7Confident79.9Confident20 Ų2069.5 Ų69.513%0.1337%0.371CS..Hα-helixtrans-64-39.2-178.1-23.837000112.7Q52 T53 T111 H112P49-Q52 PolarHBondContact O-N 3.45Å; P49-T53 VanDerWaalsContact O-CB 3.27Å; P49-T53 WeakPolarHBondContact O-CB 3.28Å; P49-T53 PolarHBondContact O-N 2.96Å; P49-T53 PolarHBondContact O-OG1 2.87Å; P49-T53 VanDerWaalsContact O-OG1 3.11Å; P49-T111 HydrophobicContact CB-CG2 3.95Å; P49-T111 HydrophobicContact CG-CG2 4.34Å; P49-H112 VanDerWaalsContact CB-CE1 3.49Å; P49-H112 WeakPolarHBondContact CB-CE1 3.16Å; P49-H112 PolarHBondContact O-NE2 3.01Å
50M85.9Confident81.6Confident133 Ų13363.7 Ų63.766%0.65534%0.343SS*.Hα-helixtrans-64.4-46.8179.1-172.1177.4-176.500112.1Y46 I48 C54Y46-M50 WeakPolarHBondContact O-CB 3.44Å; Y46-M50 PolarHBondContact O-N 3.26Å; I48-M50 VanDerWaalsContact C-N 3.34Å; I48-M50 PolarHBondContact O-N 2.68Å; M50-C54 WeakPolarHBondContact O-CB 3.47Å; M50-C54 PolarHBondContact O-N 3.19Å; M50-C54 VanDerWaalsContact O-N 3.14Å; M50-C54 PolarHBondContact O-SG 3.32Å
51F88.6Confident83.1Confident115 Ų11568.5 Ų68.550%0.50436%0.36SS..Hα-helixtrans-61.4-49.6175.9170.7-98.9000111.4V47 I48 T53 C54 A55 T299V47-F51 WeakPolarHBondContact O-CB 3.49Å; V47-F51 PolarHBondContact O-N 3.33Å; I48-F51 PolarHBondContact O-N 2.93Å; F51-T53 PolarHBondContact O-N 2.96Å; F51-C54 PolarHBondContact O-N 2.87Å; F51-A55 WeakPolarHBondContact O-CB 3.47Å; F51-A55 PolarHBondContact O-N 3.01Å; F51-T299 HydrophobicContact CE1-CG2 4.36Å
52Q86.3Confident84.4Confident1 Ų169.2 Ų69.21%0.00536%0.362CS..Hα-helixtrans-65.3-41.6-175.3178.5157.3-71.200112.3I48 P49 A55 F56 T111 Y295 T299I48-Q52 VanDerWaalsContact O-CB 3.27Å; I48-Q52 WeakPolarHBondContact O-CB 3.49Å; I48-Q52 PolarHBondContact O-N 3.48Å; P49-Q52 PolarHBondContact O-N 3.45Å; Q52-A55 PolarHBondContact O-N 3.46Å; Q52-F56 VanDerWaalsContact CD-CE2 3.49Å; Q52-F56 HydrophobicContact CG-CD2 3.64Å; Q52-F56 HydrophobicContact CG-CE1 4.3Å; Q52-F56 HydrophobicContact CG-CE2 3.14Å; Q52-F56 HydrophobicContact CG-CG 4.39Å; Q52-F56 HydrophobicContact CG-CZ 3.53Å; Q52-F56 WeakPolarHBondContact O-CB 3.26Å; Q52-F56 WeakPolarHBondContact O-CD2 3.32Å; Q52-F56 VanDerWaalsContact O-CG 3.32Å; Q52-F56 WeakPolarHBondContact O-CG 3.2Å; Q52-F56 PolarHBondContact O-N 2.72Å; Q52-T111 HydrophobicContact CB-CG2 4.21Å; Q52-T111 HydrophobicContact CG-CG2 4.18Å; Q52-T111 PolarHBondContact NE2-OG1 2.91Å; Q52-Y295 VanDerWaalsContact OE1-CD1 3.24Å; Q52-Y295 PolarHBondContact OE1-O 3.27Å; Q52-T299 PolarHBondContact OE1-OG1 3.37Å
53T88.8Confident85.8Confident31 Ų3164 Ų6419%0.1933%0.33CS..Hα-helixtrans-64.6-44.1175.1-69.10000111.8P49 F51 A55 F56 C57 A108 H112P49-T53 VanDerWaalsContact O-CB 3.27Å; P49-T53 WeakPolarHBondContact O-CB 3.28Å; P49-T53 PolarHBondContact O-N 2.96Å; P49-T53 PolarHBondContact O-OG1 2.87Å; P49-T53 VanDerWaalsContact O-OG1 3.11Å; F51-T53 PolarHBondContact O-N 2.96Å; T53-A55 VanDerWaalsContact C-N 3.33Å; T53-A55 PolarHBondContact O-N 3.45Å; T53-F56 PolarHBondContact O-N 3.01Å; T53-C57 WeakPolarHBondContact O-CB 3.41Å; T53-C57 PolarHBondContact O-N 2.6Å; T53-C57 PolarHBondContact O-SG 2.87Å; T53-A108 HydrophobicContact CG2-CB 4.41Å; T53-H112 WeakPolarHBondContact CB-NE2 3.49Å; T53-H112 PolarHBondContact OG1-CD2 3.21Å; T53-H112 PolarHBondContact OG1-NE2 2.97Å
54C90.8Very high87.2Confident70 Ų7061.7 Ų61.747%0.47331%0.313SS..Hα-helixtrans-59.2-44.2173.8-74.90000111.9M50 F51 C57 L58M50-C54 WeakPolarHBondContact O-CB 3.47Å; M50-C54 PolarHBondContact O-N 3.19Å; M50-C54 VanDerWaalsContact O-N 3.14Å; M50-C54 PolarHBondContact O-SG 3.32Å; F51-C54 PolarHBondContact O-N 2.87Å; C54-C57 PolarHBondContact O-N 3.36Å; C54-L58 WeakPolarHBondContact O-CG 3.4Å; C54-L58 PolarHBondContact O-N 3.31Å; C54-L58 VanDerWaalsContact O-N 3.11Å
55A91.5Very high88.2Confident15 Ų1565.5 Ų65.512%0.12433%0.334CS..Hα-helixtrans-64.2-47.217700000112.1F51 Q52 T53 C57 L58 I59 T299F51-A55 WeakPolarHBondContact O-CB 3.47Å; F51-A55 PolarHBondContact O-N 3.01Å; Q52-A55 PolarHBondContact O-N 3.46Å; T53-A55 VanDerWaalsContact C-N 3.33Å; T53-A55 PolarHBondContact O-N 3.45Å; A55-C57 PolarHBondContact O-N 2.91Å; A55-L58 PolarHBondContact O-N 2.97Å; A55-I59 HydrophobicContact CB-CD1 4.49Å; A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 WeakPolarHBondContact O-CD1 3.46Å; A55-I59 WeakPolarHBondContact O-CG1 3.44Å; A55-I59 PolarHBondContact O-N 3.48Å; A55-T299 HydrophobicContact CB-CG2 3.49Å; A55-T299 VanDerWaalsContact CB-CG2 3.49Å
56F91.8Very high89.2Confident2 Ų260.9 Ų60.91%0.00932%0.317CS..Hα-helixtrans-63.2-37.5177.4-69.4-27.3000112.9Q52 T53 I59 F60 L104 Q107 A108 Y302Q52-F56 VanDerWaalsContact CD-CE2 3.49Å; Q52-F56 HydrophobicContact CG-CD2 3.64Å; Q52-F56 HydrophobicContact CG-CE1 4.3Å; Q52-F56 HydrophobicContact CG-CE2 3.14Å; Q52-F56 HydrophobicContact CG-CG 4.39Å; Q52-F56 HydrophobicContact CG-CZ 3.53Å; Q52-F56 WeakPolarHBondContact O-CB 3.26Å; Q52-F56 WeakPolarHBondContact O-CD2 3.32Å; Q52-F56 VanDerWaalsContact O-CG 3.32Å; Q52-F56 WeakPolarHBondContact O-CG 3.2Å; Q52-F56 PolarHBondContact O-N 2.72Å; T53-F56 PolarHBondContact O-N 3.01Å; F56-I59 HydrophobicContact CD1-CD1 4.24Å; F56-I59 PolarHBondContact O-N 3.05Å; F56-F60 WeakPolarHBondContact O-CB 3.49Å; F56-F60 PolarHBondContact O-N 3.4Å; F56-L104 HydrophobicContact CB-CD2 4.27Å; F56-L104 HydrophobicContact CD1-CD2 3.59Å; F56-L104 HydrophobicContact CE1-CD2 4.02Å; F56-L104 HydrophobicContact CG-CD2 3.91Å; F56-Q107 HydrophobicContact CD2-CB 4.48Å; F56-Q107 HydrophobicContact CD2-CG 4.13Å; F56-Q107 HydrophobicContact CE2-CB 4.2Å; F56-Q107 HydrophobicContact CE2-CG 3.39Å; F56-Q107 HydrophobicContact CZ-CG 3.75Å; F56-A108 HydrophobicContact CB-CB 4.37Å; F56-A108 HydrophobicContact CD2-CB 4.25Å; F56-Y302 AromaticContact CE1-CD2 3.69Å; F56-Y302 HydrophobicContact CE1-CD2 3.69Å; F56-Y302 HydrophobicContact CE1-CE2 4.36Å; F56-Y302 HydrophobicContact CE1-CG 4.09Å; F56-Y302 HydrophobicContact CZ-CD2 4.14Å; F56-Y302 HydrophobicContact CZ-CE2 4.4Å
57C92.8Very high90.2Very high58 Ų5852.6 Ų52.639%0.39229%0.285SS..Hα-helixtrans-60.1-46.8171.7-74.70000111.7T53 C54 A55 F60 F61T53-C57 WeakPolarHBondContact O-CB 3.41Å; T53-C57 PolarHBondContact O-N 2.6Å; T53-C57 PolarHBondContact O-SG 2.87Å; C54-C57 PolarHBondContact O-N 3.36Å; A55-C57 PolarHBondContact O-N 2.91Å; C57-F60 PolarHBondContact O-N 3.46Å; C57-F61 WeakPolarHBondContact O-CD2 3.48Å; C57-F61 PolarHBondContact O-N 2.88Å
58L93.5Very high90.7Very high120 Ų12051 Ų5163%0.62828%0.277SS*.Hα-helixtrans-63.3-46176.9-69.8171.2000112.1C54 A55 F60 F61 V62C54-L58 WeakPolarHBondContact O-CG 3.4Å; C54-L58 PolarHBondContact O-N 3.31Å; C54-L58 VanDerWaalsContact O-N 3.11Å; A55-L58 PolarHBondContact O-N 2.97Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.93Å; L58-F61 PolarHBondContact O-N 3.3Å; L58-V62 WeakPolarHBondContact O-CB 3.45Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.25Å; L58-V62 PolarHBondContact O-N 3.47Å
59I94.3Very high91.1Very high9 Ų953.2 Ų53.25%0.04629%0.289CS..Hα-helixtrans-62.9-40.1177.9-63.3158.8000110.4A55 F56 G63 L101 L104 T299 T303A55-I59 HydrophobicContact CB-CD1 4.49Å; A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 WeakPolarHBondContact O-CD1 3.46Å; A55-I59 WeakPolarHBondContact O-CG1 3.44Å; A55-I59 PolarHBondContact O-N 3.48Å; F56-I59 HydrophobicContact CD1-CD1 4.24Å; F56-I59 PolarHBondContact O-N 3.05Å; I59-G63 VanDerWaalsContact O-CA 3.24Å; I59-G63 WeakPolarHBondContact O-CA 3.41Å; I59-G63 PolarHBondContact O-N 2.92Å; I59-L101 HydrophobicContact CG2-CD2 3.79Å; I59-L101 WeakPolarHBondContact O-CD2 3.39Å; I59-L104 HydrophobicContact CB-CD1 4.09Å; I59-L104 HydrophobicContact CG2-CD1 3.73Å; I59-T299 HydrophobicContact CD1-CG2 4.22Å; I59-T303 VanDerWaalsContact CD1-OG1 3.28Å; I59-T303 WeakPolarHBondContact CD1-OG1 3.29Å
60F94.8Very high91.4Very high50 Ų5052.4 Ų52.422%0.21928%0.283CS..Hα-helixtrans-59.7-58.6175.1177.2-97.8000111.2F56 C57 L58 V62 G63 V64 L101 L104 P105F56-F60 WeakPolarHBondContact O-CB 3.49Å; F56-F60 PolarHBondContact O-N 3.4Å; C57-F60 PolarHBondContact O-N 3.46Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.93Å; F60-V62 PolarHBondContact O-N 3.4Å; F60-G63 PolarHBondContact O-N 3.25Å; F60-V64 HydrophobicContact CD2-CG2 3.94Å; F60-V64 HydrophobicContact CE2-CG2 3.85Å; F60-V64 HydrophobicContact CG-CG2 4.4Å; F60-V64 HydrophobicContact CZ-CG2 4.23Å; F60-V64 WeakPolarHBondContact O-CB 3.37Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 3.09Å; F60-L101 WeakPolarHBondContact CD2-O 3.47Å; F60-L104 HydrophobicContact CB-CB 4.49Å; F60-L104 HydrophobicContact CB-CD1 4.16Å; F60-L104 HydrophobicContact CD2-CB 4.43Å; F60-P105 HydrophobicContact CD2-CG 4.1Å; F60-P105 HydrophobicContact CE2-CG 3.9Å; F60-P105 HydrophobicContact CZ-CG 4.42Å
61F94Very high91.5Very high143 Ų14347.9 Ų47.963%0.62726%0.261SS*.Hα-helixtrans-63.7-47.2-176.4-73.2-64.6000112.6C57 L58 L65C57-F61 WeakPolarHBondContact O-CD2 3.48Å; C57-F61 PolarHBondContact O-N 2.88Å; L58-F61 PolarHBondContact O-N 3.3Å; F61-L65 WeakPolarHBondContact O-CB 3.24Å; F61-L65 PolarHBondContact O-N 2.9Å; F61-L65 VanDerWaalsContact O-N 3.08Å
62V93.3Very high91.3Very high68 Ų6843.8 Ų43.841%0.41225%0.249SC..Hα-helixtrans-68.5-42.2-179.6178.60000111.1L58 F60 G66 C306 I310L58-V62 WeakPolarHBondContact O-CB 3.45Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.25Å; L58-V62 PolarHBondContact O-N 3.47Å; F60-V62 PolarHBondContact O-N 3.4Å; V62-G66 PolarHBondContact O-N 3.39Å; V62-C306 HydrophobicContact CB-CB 4.44Å; V62-C306 HydrophobicContact CG1-CB 4.15Å; V62-I310 HydrophobicContact CG1-CD1 4.12Å
63G93.6Very high91.1Very high0 Ų043.8 Ų43.80%025%0.249CC..Hα-helixtrans-68.1-47.4-179.500000112.8I59 F60 G66 N67I59-G63 VanDerWaalsContact O-CA 3.24Å; I59-G63 WeakPolarHBondContact O-CA 3.41Å; I59-G63 PolarHBondContact O-N 2.92Å; F60-G63 PolarHBondContact O-N 3.25Å; G63-G66 PolarHBondContact O-N 3.48Å; G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 3.09Å; G63-N67 PolarHBondContact O-ND2 3.23Å
64V94.5Very high90.7Very high32 Ų3242.8 Ų42.819%0.19424%0.242CC..Hα-helixtrans-63.8-48.8178.3171.70000109.5F60 G66 N67 C68 L98 L101F60-V64 HydrophobicContact CD2-CG2 3.94Å; F60-V64 HydrophobicContact CE2-CG2 3.85Å; F60-V64 HydrophobicContact CG-CG2 4.4Å; F60-V64 HydrophobicContact CZ-CG2 4.23Å; F60-V64 WeakPolarHBondContact O-CB 3.37Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 3.09Å; V64-G66 PolarHBondContact O-N 2.85Å; V64-N67 PolarHBondContact O-N 3.13Å; V64-C68 WeakPolarHBondContact O-CB 3.35Å; V64-C68 PolarHBondContact O-N 3.13Å; V64-C68 PolarHBondContact O-SG 3.31Å; V64-L98 HydrophobicContact CB-CD1 4.39Å; V64-L98 HydrophobicContact CG1-CD1 4.13Å; V64-L98 HydrophobicContact CG2-CD1 4.11Å; V64-L101 HydrophobicContact CG2-CB 4Å
65L92.6Very high90.2Very high130 Ų13041.3 Ų41.368%0.68123%0.234SC*.Hα-helixtrans-58.2-47177.4-177.864.4000111.7F61 L69F61-L65 WeakPolarHBondContact O-CB 3.24Å; F61-L65 PolarHBondContact O-N 2.9Å; F61-L65 VanDerWaalsContact O-N 3.08Å; L65-L69 VanDerWaalsContact O-CB 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.33Å; L65-L69 PolarHBondContact O-N 3.43Å
66G91.1Very high89.3Confident12 Ų1246.5 Ų46.512%0.12426%0.26CS..Hα-helixtrans-64.4-47.3-179.600000113.6V62 G63 V64 L69 V70 P309V62-G66 PolarHBondContact O-N 3.39Å; G63-G66 PolarHBondContact O-N 3.48Å; V64-G66 PolarHBondContact O-N 2.85Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.2Å; G66-V70 WeakPolarHBondContact O-CG2 3.1Å; G66-V70 PolarHBondContact O-N 3.02Å; G66-P309 VanDerWaalsContact C-CG 3.47Å
67N93Very high88Confident1 Ų151.1 Ų51.11%0.00528%0.278CS..Hα-helixtrans-74.2-37-178.7-72.3-62.9000112.1G63 V64 L69 V70 I71 A94 L98 L101 C305 P309G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 3.09Å; G63-N67 PolarHBondContact O-ND2 3.23Å; V64-N67 PolarHBondContact O-N 3.13Å; N67-L69 VanDerWaalsContact C-N 3.33Å; N67-L69 PolarHBondContact O-N 3.15Å; N67-V70 WeakPolarHBondContact O-CB 3.48Å; N67-V70 PolarHBondContact O-N 3.34Å; N67-I71 WeakPolarHBondContact O-CG1 3.46Å; N67-I71 PolarHBondContact O-N 2.94Å; N67-A94 HydrophobicContact CB-CB 4.34Å; N67-L98 HydrophobicContact CB-CB 4.38Å; N67-L101 WeakPolarHBondContact ND2-CD1 3.31Å; N67-C305 PolarHBondContact ND2-O 2.81Å; N67-P309 WeakPolarHBondContact OD1-CG 3.4Å
68C91.6Very high86.8Confident51 Ų5150 Ų5035%0.34527%0.265SS..Hα-helixtrans-61.3-39.6169.7-72.70000111.8V64 I71 A72V64-C68 WeakPolarHBondContact O-CB 3.35Å; V64-C68 PolarHBondContact O-N 3.13Å; V64-C68 PolarHBondContact O-SG 3.31Å; C68-I71 PolarHBondContact O-N 3.08Å; C68-A72 WeakPolarHBondContact O-CB 3.5Å; C68-A72 PolarHBondContact O-N 3.07Å
69L88.4Confident85.4Confident57 Ų5754.8 Ų54.830%0.29828%0.275SS..Hα-helixtrans-63.3-41.1174.7-179.868.4000112.2L65 G66 N67 T73 V323 L326L65-L69 VanDerWaalsContact O-CB 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.33Å; L65-L69 PolarHBondContact O-N 3.43Å; G66-L69 WeakPolarHBondContact O-CB 3.49Å; G66-L69 PolarHBondContact O-N 3.2Å; N67-L69 VanDerWaalsContact C-N 3.33Å; N67-L69 PolarHBondContact O-N 3.15Å; L69-T73 WeakPolarHBondContact O-CB 3.47Å; L69-T73 PolarHBondContact O-N 3.44Å; L69-T73 PolarHBondContact O-OG1 3.21Å; L69-V323 HydrophobicContact CD1-CG1 4.43Å; L69-V323 HydrophobicContact CD1-CG2 4.48Å; L69-V323 HydrophobicContact CD2-CG1 3.89Å; L69-V323 HydrophobicContact CD2-CG2 4.09Å; L69-V323 HydrophobicContact CG-CG2 4.18Å; L69-L326 HydrophobicContact CD1-CD2 3.85Å
70V87.6Confident84Confident2 Ų260.3 Ų60.31%0.01230%0.304CS..Hα-helixtrans-59.5-51.4173.2172.10000110.3G66 N67 T73 F74 A94 P309 Y312 F319G66-V70 WeakPolarHBondContact O-CG2 3.1Å; G66-V70 PolarHBondContact O-N 3.02Å; N67-V70 WeakPolarHBondContact O-CB 3.48Å; N67-V70 PolarHBondContact O-N 3.34Å; V70-T73 WeakPolarHBondContact O-CB 3.47Å; V70-T73 PolarHBondContact O-N 3.4Å; V70-F74 HydrophobicContact CG1-CD2 3.96Å; V70-F74 HydrophobicContact CG1-CE2 3.55Å; V70-F74 WeakPolarHBondContact O-CD2 3.45Å; V70-F74 PolarHBondContact O-N 3.12Å; V70-A94 HydrophobicContact CB-CB 4.12Å; V70-A94 HydrophobicContact CG1-CB 3.72Å; V70-P309 HydrophobicContact CG2-CB 4.17Å; V70-P309 HydrophobicContact CG2-CG 4.24Å; V70-Y312 HydrophobicContact CG2-CD2 4.32Å; V70-F319 HydrophobicContact CB-CZ 4.38Å; V70-F319 HydrophobicContact CG2-CE1 4.39Å; V70-F319 HydrophobicContact CG2-CE2 4.07Å; V70-F319 HydrophobicContact CG2-CZ 3.56Å
71I88.8Confident82.5Confident39 Ų3966.7 Ų66.720%0.233%0.326CS..Hα-helixtrans-60.5-47.1179-70.5166000111.4N67 C68 T73 F74 A75 F91 A94 L98N67-I71 WeakPolarHBondContact O-CG1 3.46Å; N67-I71 PolarHBondContact O-N 2.94Å; C68-I71 PolarHBondContact O-N 3.08Å; I71-T73 VanDerWaalsContact C-N 3.33Å; I71-T73 PolarHBondContact O-N 2.82Å; I71-F74 PolarHBondContact O-N 3.31Å; I71-F74 VanDerWaalsContact O-N 3.12Å; I71-A75 PolarHBondContact O-N 3.26Å; I71-F91 HydrophobicContact CG1-CE2 4.36Å; I71-F91 HydrophobicContact CG2-CE2 4.18Å; I71-A94 HydrophobicContact CD1-CB 4.44Å; I71-A94 HydrophobicContact CG1-CB 4.14Å; I71-L98 HydrophobicContact CD1-CD2 3.85Å
72A84.8Confident81.4Confident29 Ų2961.6 Ų61.624%0.2431%0.306CS..Hα-helixtrans-62.3-37.5178.100000112.3C68 F74 A75 L76C68-A72 WeakPolarHBondContact O-CB 3.5Å; C68-A72 PolarHBondContact O-N 3.07Å; A72-F74 VanDerWaalsContact C-N 3.32Å; A72-F74 PolarHBondContact O-N 2.88Å; A72-A75 PolarHBondContact O-N 3.38Å; A72-L76 HydrophobicContact CB-CD1 4.43Å; A72-L76 WeakPolarHBondContact O-CB 3.24Å; A72-L76 PolarHBondContact O-N 3.19Å
73T81.4Confident80.3Confident1 Ų164.8 Ų64.81%0.00631%0.31CS..Iπ-helixtrans-62.2-38.8174.3-58.20000111.5L69 V70 I71 Y77 R78 F319 D322L69-T73 WeakPolarHBondContact O-CB 3.47Å; L69-T73 PolarHBondContact O-N 3.44Å; L69-T73 PolarHBondContact O-OG1 3.21Å; V70-T73 WeakPolarHBondContact O-CB 3.47Å; V70-T73 PolarHBondContact O-N 3.4Å; I71-T73 VanDerWaalsContact C-N 3.33Å; I71-T73 PolarHBondContact O-N 2.82Å; T73-Y77 WeakPolarHBondContact O-CB 3.21Å; T73-Y77 PolarHBondContact O-N 3.3Å; T73-R78 PolarHBondContact O-N 2.95Å; T73-F319 HydrophobicContact CG2-CE2 4.3Å; T73-D322 HydrophobicContact CG2-CB 3.76Å
74F80.9Confident79.6Confident9 Ų966.8 Ų66.84%0.03932%0.324CS..Iπ-helixtrans-72.2-40174.3-70.8-64.7000113V70 I71 A72 R78 L80 L82 D87 L90 F91V70-F74 HydrophobicContact CG1-CD2 3.96Å; V70-F74 HydrophobicContact CG1-CE2 3.55Å; V70-F74 WeakPolarHBondContact O-CD2 3.45Å; V70-F74 PolarHBondContact O-N 3.12Å; I71-F74 PolarHBondContact O-N 3.31Å; I71-F74 VanDerWaalsContact O-N 3.12Å; A72-F74 VanDerWaalsContact C-N 3.32Å; A72-F74 PolarHBondContact O-N 2.88Å; F74-R78 WeakPolarHBondContact O-CB 3.35Å; F74-L80 PolarHBondContact O-N 2.89Å; F74-L80 VanDerWaalsContact O-N 3.11Å; F74-L82 HydrophobicContact CD1-CD2 3.85Å; F74-L82 HydrophobicContact CE1-CD2 4.3Å; F74-L82 HydrophobicContact CG-CD2 4.39Å; F74-D87 HydrophobicContact CE1-CB 3.75Å; F74-D87 HydrophobicContact CZ-CB 4.38Å; F74-L90 HydrophobicContact CE2-CB 4.45Å; F74-L90 HydrophobicContact CZ-CB 4.25Å; F74-F91 HydrophobicContact CB-CD2 4.11Å; F74-F91 HydrophobicContact CD2-CB 4.11Å; F74-F91 HydrophobicContact CD2-CD2 4.04Å; F74-F91 HydrophobicContact CE2-CB 4.22Å; F74-F91 HydrophobicContact CG-CD2 4.31Å
75A79.2Confident79Confident39 Ų3965.9 Ų65.932%0.32232%0.318SS..Iπ-helixtrans-69.9-57.5-179.600000112.3I71 A72 R79 L80I71-A75 PolarHBondContact O-N 3.26Å; A72-A75 PolarHBondContact O-N 3.38Å; A75-R79 WeakPolarHBondContact O-CA 3.34Å; A75-R79 PolarHBondContact O-N 3.01Å; A75-L80 HydrophobicContact CB-CD2 4.33Å
76L73.7Confident78.5Confident125 Ų12559.9 Ų59.965%0.65429%0.287SS*.Iπ-helixtrans-80.7-58.7-171-58.6174.8000112A72 L326A72-L76 HydrophobicContact CB-CD1 4.43Å; A72-L76 WeakPolarHBondContact O-CB 3.24Å; A72-L76 PolarHBondContact O-N 3.19Å; L76-L326 HydrophobicContact CD1-CD1 4.24Å
77Y64.9Low78.2Confident98 Ų9860.3 Ų60.338%0.38429%0.286SS..Iπ-helixtrans-77.6-34.1-170.7-165.8-115.6000112.9T73 D322 Q325T73-Y77 WeakPolarHBondContact O-CB 3.21Å; T73-Y77 PolarHBondContact O-N 3.3Å; Y77-D322 HydrophobicContact CD1-CB 4.07Å; Y77-D322 HydrophobicContact CE1-CB 4.28Å; Y77-D322 WeakPolarHBondContact CE1-OD1 3.31Å; Y77-Q325 HydrophobicContact CE2-CG 4.1Å; Y77-Q325 PolarHBondContact OH-OE1 2.74Å
78R67Low77.9Confident36 Ų3660.3 Ų60.314%0.13629%0.286CS..SBendtrans-95.4-3.2177.9-60.5179.7177.2-164.39.3113.5T73 F74 L80 R81 D87 D322T73-R78 PolarHBondContact O-N 2.95Å; F74-R78 WeakPolarHBondContact O-CB 3.35Å; R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 PolarHBondContact O-N 3.4Å; R78-R81 WeakPolarHBondContact O-CA 3.31Å; R78-R81 WeakPolarHBondContact O-CB 3.37Å; R78-R81 PolarHBondContact O-N 3.43Å; R78-D87 IonicContact CZ-OD1 3.62Å; R78-D87 IonicContact NH1-OD1 3.99Å; R78-D87 PolarHBondContact NH1-OD1 3.48Å; R78-D87 IonicContact NH1-OD2 3.45Å; R78-D322 IonicContact CZ-OD2 3.9Å; R78-D322 IonicContact NE-OD2 2.69Å; R78-D322 PolarHBondContact NE-OD2 3.42Å; R78-D322 IonicContact NH2-OD2 2.9Å; R78-D322 PolarHBondContact NH2-OD2 3.14Å
79R63.6Low77.9Confident220 Ų22058.2 Ų58.283%0.8327%0.271SS*.THydrogen-bonded Turntrans48.846.4-179.3-160.1-168.1-67-155.5-2.8112.2A75 R81A75-R79 WeakPolarHBondContact O-CA 3.34Å; A75-R79 PolarHBondContact O-N 3.01Å; R79-R81 PolarHBondContact O-N 3.45Å
80L64.6Low77.8Confident125 Ų12556.7 Ų56.765%0.65426%0.263SS*.THydrogen-bonded Turntrans56.19.9-173.9-58.9170.9000115.3F74 A75 R78 L82F74-L80 PolarHBondContact O-N 2.89Å; F74-L80 VanDerWaalsContact O-N 3.11Å; A75-L80 HydrophobicContact CB-CD2 4.33Å; R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 PolarHBondContact O-N 3.4Å; L80-L82 PolarHBondContact O-N 2.99Å
81R63.3Low77.9Confident183 Ų18358.9 Ų58.969%0.69127%0.273SS*.  trans-85.578-178.3-152.5174.2-160.81716.4109.7R78 R79 R83R78-R81 WeakPolarHBondContact O-CA 3.31Å; R78-R81 WeakPolarHBondContact O-CB 3.37Å; R78-R81 PolarHBondContact O-N 3.43Å; R79-R81 PolarHBondContact O-N 3.45Å; R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.41Å; R81-R83 VanDerWaalsContact O-N 3.15Å
82L71.4Confident78.1Confident37 Ų3758.8 Ų58.819%0.19427%0.271CS..  trans-58.4113.6173.3-57.5169.3000108.7F74 L80 D87 V88F74-L82 HydrophobicContact CD1-CD2 3.85Å; F74-L82 HydrophobicContact CE1-CD2 4.3Å; F74-L82 HydrophobicContact CG-CD2 4.39Å; L80-L82 PolarHBondContact O-N 2.99Å; L82-D87 HydrophobicContact CB-CB 4.37Å; L82-D87 HydrophobicContact CD2-CB 4.07Å; L82-V88 HydrophobicContact CB-CG2 3.93Å; L82-V88 HydrophobicContact CD1-CB 4.31Å; L82-V88 HydrophobicContact CD1-CG1 4.41Å; L82-V88 HydrophobicContact CD1-CG2 3.84Å; L82-V88 HydrophobicContact CG-CG2 4.42Å
83R70.1Confident78.5Confident135 Ų13557.4 Ų57.451%0.50926%0.26SS..  trans-95.6-10.8-167.6-74-170172.9111.7-7.3113.8R81 D87 R161R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.41Å; R81-R83 VanDerWaalsContact O-N 3.15Å; R83-D87 PolarHBondContact N-OD2 2.88Å; R83-R161 PolarHBondContact O-NH2 3.15Å
84S78.6Confident79Confident41 Ų4157.5 Ų57.529%0.28726%0.261SS..SBendtrans-148.4165.5177.566.90000110.9T86 D87S84-T86 VanDerWaalsContact C-N 3.3Å; S84-T86 PolarHBondContact O-N 3.02Å; S84-D87 PolarHBondContact N-OD2 2.84Å; S84-D87 WeakPolarHBondContact O-CB 3.32Å; S84-D87 PolarHBondContact O-N 3.15Å; S84-D87 PolarHBondContact OG-N 3.19Å; S84-D87 PolarHBondContact OG-OD2 3.03Å
85M82Confident79.7Confident14 Ų1459.9 Ų59.97%0.06927%0.273CS..Hα-helixtrans-60.9-40.4175.2-55.1-84.56200112.6D87 V88 F89 D146 I164 L165 G168M85-D87 PolarHBondContact O-N 2.65Å; M85-V88 HydrophobicContact CE-CG2 4.33Å; M85-V88 WeakPolarHBondContact O-CA 3.49Å; M85-V88 VanDerWaalsContact O-CB 3.27Å; M85-V88 WeakPolarHBondContact O-CB 3.18Å; M85-V88 PolarHBondContact O-N 3.49Å; M85-F89 HydrophobicContact CB-CD2 4.39Å; M85-F89 HydrophobicContact CB-CE2 3.87Å; M85-F89 HydrophobicContact CB-CZ 4.4Å; M85-F89 WeakPolarHBondContact O-CD2 3.2Å; M85-F89 PolarHBondContact O-N 3.41Å; M85-D146 HydrophobicContact CB-CB 4.12Å; M85-D146 WeakPolarHBondContact CB-OD1 3.47Å; M85-D146 WeakPolarHBondContact CG-OD1 3.45Å; M85-I164 HydrophobicContact CE-CG2 4.48Å; M85-I164 WeakPolarHBondContact CE-O 3.47Å; M85-I164 HydrophobicContact CG-CG2 3.63Å; M85-I164 HydrophobicContact SD-CG2 3.51Å; M85-I164 VanDerWaalsContact SD-CG2 3.51Å; M85-L165 VanDerWaalsContact CE-CA 3.49Å; M85-L165 HydrophobicContact CE-CD2 4.27Å; M85-G168 WeakPolarHBondContact SD-CA 3.24Å; M85-G168 PolarHBondContact SD-N 2.88Å; M85-G168 VanDerWaalsContact SD-N 3.41Å
86T83.1Confident80.4Confident3 Ų358.1 Ų58.12%0.01826%0.259CS..Hα-helixtrans-61-36.8179.4-18.50000111.7S84 V88 F89 L90 I143 D146 R147 M262S84-T86 VanDerWaalsContact C-N 3.3Å; S84-T86 PolarHBondContact O-N 3.02Å; T86-V88 PolarHBondContact O-N 2.67Å; T86-F89 PolarHBondContact O-N 3.09Å; T86-L90 HydrophobicContact CG2-CD1 4.11Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 VanDerWaalsContact O-CB 3.24Å; T86-L90 WeakPolarHBondContact O-CB 3.31Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 2.82Å; T86-I143 HydrophobicContact CG2-CG1 4.06Å; T86-I143 HydrophobicContact CG2-CG2 3.95Å; T86-D146 PolarHBondContact N-OD2 2.69Å; T86-D146 PolarHBondContact OG1-OD2 2.97Å; T86-R147 VanDerWaalsContact CG2-NH2 3.29Å; T86-R147 VanDerWaalsContact OG1-CZ 3.25Å; T86-R147 PolarHBondContact OG1-NH1 3.12Å; T86-R147 PolarHBondContact OG1-NH2 3.09Å; T86-M262 HydrophobicContact CG2-CE 3.94Å
87D83.8Confident81.4Confident21 Ų2152.1 Ų52.111%0.11223%0.228CC..Hα-helixtrans-61.4-36.2175.7-60-46.6000111.2F74 R78 L82 R83 S84 M85 F91F74-D87 HydrophobicContact CE1-CB 3.75Å; F74-D87 HydrophobicContact CZ-CB 4.38Å; R78-D87 IonicContact CZ-OD1 3.62Å; R78-D87 IonicContact NH1-OD1 3.99Å; R78-D87 PolarHBondContact NH1-OD1 3.48Å; R78-D87 IonicContact NH1-OD2 3.45Å; L82-D87 HydrophobicContact CB-CB 4.37Å; L82-D87 HydrophobicContact CD2-CB 4.07Å; R83-D87 PolarHBondContact N-OD2 2.88Å; S84-D87 PolarHBondContact N-OD2 2.84Å; S84-D87 WeakPolarHBondContact O-CB 3.32Å; S84-D87 PolarHBondContact O-N 3.15Å; S84-D87 PolarHBondContact OG-N 3.19Å; S84-D87 PolarHBondContact OG-OD2 3.03Å; M85-D87 PolarHBondContact O-N 2.65Å; D87-F91 WeakPolarHBondContact O-CB 3.25Å; D87-F91 PolarHBondContact O-N 3.14Å; D87-F91 VanDerWaalsContact O-N 3.15Å
88V88.2Confident82.9Confident1 Ų148.8 Ų48.81%0.00622%0.216CC..Hα-helixtrans-65.9-52.8174.5-173.20000110.2L82 M85 T86 L90 F91 H92 K169 A172L82-V88 HydrophobicContact CB-CG2 3.93Å; L82-V88 HydrophobicContact CD1-CB 4.31Å; L82-V88 HydrophobicContact CD1-CG1 4.41Å; L82-V88 HydrophobicContact CD1-CG2 3.84Å; L82-V88 HydrophobicContact CG-CG2 4.42Å; M85-V88 HydrophobicContact CE-CG2 4.33Å; M85-V88 WeakPolarHBondContact O-CA 3.49Å; M85-V88 VanDerWaalsContact O-CB 3.27Å; M85-V88 WeakPolarHBondContact O-CB 3.18Å; M85-V88 PolarHBondContact O-N 3.49Å; T86-V88 PolarHBondContact O-N 2.67Å; V88-L90 PolarHBondContact O-N 3.13Å; V88-F91 WeakPolarHBondContact O-CB 3.27Å; V88-F91 PolarHBondContact O-N 3.42Å; V88-H92 PolarHBondContact O-CD2 3.15Å; V88-H92 VanDerWaalsContact O-CD2 3.24Å; V88-H92 PolarHBondContact O-N 2.97Å; V88-K169 HydrophobicContact CG1-CG 4.34Å; V88-A172 HydrophobicContact CG1-CB 4.16Å
89F89.7Confident84.2Confident8 Ų850.7 Ų50.74%0.03523%0.229CC..Hα-helixtrans-65.9-37.5-177-56.7-40.1000112.9M85 T86 H92 L93 L139 C142 I143 D146 G168 A171 A172M85-F89 HydrophobicContact CB-CD2 4.39Å; M85-F89 HydrophobicContact CB-CE2 3.87Å; M85-F89 HydrophobicContact CB-CZ 4.4Å; M85-F89 WeakPolarHBondContact O-CD2 3.2Å; M85-F89 PolarHBondContact O-N 3.41Å; T86-F89 PolarHBondContact O-N 3.09Å; F89-H92 PolarHBondContact O-N 3.4Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 3.13Å; F89-L93 PolarHBondContact O-N 3.42Å; F89-L139 HydrophobicContact CB-CD2 4.13Å; F89-L139 HydrophobicContact CD1-CD2 3.91Å; F89-L139 HydrophobicContact CG-CD2 4.39Å; F89-C142 HydrophobicContact CD1-CB 4.3Å; F89-C142 HydrophobicContact CD2-CB 3.97Å; F89-C142 HydrophobicContact CE1-CB 4Å; F89-C142 HydrophobicContact CE2-CB 3.64Å; F89-C142 HydrophobicContact CG-CB 4.3Å; F89-C142 HydrophobicContact CZ-CB 3.66Å; F89-I143 HydrophobicContact CB-CD1 3.88Å; F89-I143 HydrophobicContact CB-CG1 3.53Å; F89-I143 HydrophobicContact CD2-CG1 3.83Å; F89-I143 HydrophobicContact CG-CG1 4.12Å; F89-D146 HydrophobicContact CE2-CB 4.38Å; F89-G168 WeakPolarHBondContact CE1-O 3.3Å; F89-A171 HydrophobicContact CE1-CB 4.24Å; F89-A171 HydrophobicContact CZ-CB 4.34Å; F89-A172 HydrophobicContact CD1-CB 4.36Å; F89-A172 HydrophobicContact CE1-CB 4.37Å
90L87.8Confident85.7Confident24 Ų2440.2 Ų40.213%0.12619%0.189CC..Hα-helixtrans-66.4-35.6174.8-69.6173.7000112.5F74 T86 V88 A94 I143 Y312F74-L90 HydrophobicContact CE2-CB 4.45Å; F74-L90 HydrophobicContact CZ-CB 4.25Å; T86-L90 HydrophobicContact CG2-CD1 4.11Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 VanDerWaalsContact O-CB 3.24Å; T86-L90 WeakPolarHBondContact O-CB 3.31Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 2.82Å; V88-L90 PolarHBondContact O-N 3.13Å; L90-A94 WeakPolarHBondContact O-CB 3.12Å; L90-A94 PolarHBondContact O-N 2.88Å; L90-I143 HydrophobicContact CD2-CD1 4.08Å; L90-I143 HydrophobicContact CG-CD1 4.46Å; L90-Y312 HydrophobicContact CD2-CD1 4.38Å; L90-Y312 HydrophobicContact CD2-CE1 3.52Å; L90-Y312 HydrophobicContact CD2-CE2 3.99Å; L90-Y312 VanDerWaalsContact CD2-OH 3.27Å; L90-Y312 WeakPolarHBondContact CD2-OH 2.92Å
91F89.9Confident87.2Confident48 Ų4834.3 Ų34.321%0.21116%0.158CC..Hα-helixtrans-65.3-47.1173.2174.2-92000111.6I71 F74 D87 V88 L93 A94 L95I71-F91 HydrophobicContact CG1-CE2 4.36Å; I71-F91 HydrophobicContact CG2-CE2 4.18Å; F74-F91 HydrophobicContact CB-CD2 4.11Å; F74-F91 HydrophobicContact CD2-CB 4.11Å; F74-F91 HydrophobicContact CD2-CD2 4.04Å; F74-F91 HydrophobicContact CE2-CB 4.22Å; F74-F91 HydrophobicContact CG-CD2 4.31Å; D87-F91 WeakPolarHBondContact O-CB 3.25Å; D87-F91 PolarHBondContact O-N 3.14Å; D87-F91 VanDerWaalsContact O-N 3.15Å; V88-F91 WeakPolarHBondContact O-CB 3.27Å; V88-F91 PolarHBondContact O-N 3.42Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 3.4Å; F91-A94 PolarHBondContact O-N 3.49Å; F91-L95 WeakPolarHBondContact O-CB 3Å; F91-L95 PolarHBondContact O-N 3.41Å
92H92.9Very high88.7Confident37 Ų3730.4 Ų30.417%0.17115%0.15CC..Hα-helixtrans-67.2-31.2177-75.1-75.4000113.1V88 F89 L95 A96 L139 A172 W176V88-H92 PolarHBondContact O-CD2 3.15Å; V88-H92 VanDerWaalsContact O-CD2 3.24Å; V88-H92 PolarHBondContact O-N 2.97Å; F89-H92 PolarHBondContact O-N 3.4Å; H92-L95 PolarHBondContact O-N 2.98Å; H92-A96 WeakPolarHBondContact O-CB 3.4Å; H92-A96 PolarHBondContact O-N 3.43Å; H92-L139 HydrophobicContact CB-CD1 3.99Å; H92-L139 HydrophobicContact CB-CD2 4.12Å; H92-A172 VanDerWaalsContact CD2-CB 3.46Å; H92-A172 WeakPolarHBondContact CD2-CB 3.29Å; H92-W176 AromaticContact CG-NE1 3.69Å; H92-W176 AromaticContact ND1-CD1 3.85Å; H92-W176 AromaticContact ND1-NE1 3.14Å; H92-W176 PolarHBondContact ND1-NE1 2.92Å; H92-W176 VanDerWaalsContact ND1-NE1 3.14Å
93L91.9Very high89.7Confident1 Ų129 Ų291%0.00514%0.144CC..Hα-helixtrans-66.9-47.9174.5-174.765.1000110.8F89 F91 L95 A96 D97 L139 Y312F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 3.13Å; F89-L93 PolarHBondContact O-N 3.42Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 3.4Å; L93-L95 VanDerWaalsContact C-N 3.25Å; L93-L95 PolarHBondContact O-N 3.37Å; L93-A96 PolarHBondContact O-N 3.14Å; L93-D97 WeakPolarHBondContact O-CB 3.49Å; L93-D97 PolarHBondContact O-N 3.47Å; L93-L139 HydrophobicContact CB-CD1 4.04Å; L93-L139 HydrophobicContact CD1-CD1 4.3Å; L93-Y312 WeakPolarHBondContact CD2-OH 3.45Å
94A93Very high90.8Very high2 Ų222.7 Ų22.72%0.01712%0.12CC..Hα-helixtrans-62.6-32.1175.300000112.8N67 V70 I71 L90 F91 L98N67-A94 HydrophobicContact CB-CB 4.34Å; V70-A94 HydrophobicContact CB-CB 4.12Å; V70-A94 HydrophobicContact CG1-CB 3.72Å; I71-A94 HydrophobicContact CD1-CB 4.44Å; I71-A94 HydrophobicContact CG1-CB 4.14Å; L90-A94 WeakPolarHBondContact O-CB 3.12Å; L90-A94 PolarHBondContact O-N 2.88Å; F91-A94 PolarHBondContact O-N 3.49Å; A94-L98 WeakPolarHBondContact O-CB 3.26Å; A94-L98 PolarHBondContact O-N 2.84Å
95L94.4Very high91.4Very high59 Ų5923.9 Ų23.931%0.30913%0.127SC..Hα-helixtrans-68.4-44.6173.1-178.563.7000112F91 H92 L93 L98 L99 W176F91-L95 WeakPolarHBondContact O-CB 3Å; F91-L95 PolarHBondContact O-N 3.41Å; H92-L95 PolarHBondContact O-N 2.98Å; L93-L95 VanDerWaalsContact C-N 3.25Å; L93-L95 PolarHBondContact O-N 3.37Å; L95-L98 PolarHBondContact O-N 2.93Å; L95-L99 HydrophobicContact CG-CD1 4.46Å; L95-L99 WeakPolarHBondContact O-CG 3.24Å; L95-L99 PolarHBondContact O-N 3.17Å; L95-W176 HydrophobicContact CD2-CZ2 4.38Å
96A95.3Very high91.9Very high2 Ų224.7 Ų24.72%0.01713%0.131CC..Hα-helixtrans-66.5-44.6177.900000112H92 L93 L98 L99 L100 N132 W176H92-A96 WeakPolarHBondContact O-CB 3.4Å; H92-A96 PolarHBondContact O-N 3.43Å; L93-A96 PolarHBondContact O-N 3.14Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 3.01Å; A96-L99 PolarHBondContact O-N 3.25Å; A96-L100 PolarHBondContact O-N 3.15Å; A96-L100 VanDerWaalsContact O-N 3.12Å; A96-N132 VanDerWaalsContact CB-OD1 3.23Å; A96-N132 WeakPolarHBondContact CB-OD1 3.41Å; A96-N132 PolarHBondContact O-OD1 2.97Å; A96-W176 HydrophobicContact CB-CH2 3.85Å; A96-W176 HydrophobicContact CB-CZ2 3.97Å
97D94.9Very high92.1Very high0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-61.1-42.4174.2-77-30.8000110.7L93 L100 L101 N132 R304 C305 N308L93-D97 WeakPolarHBondContact O-CB 3.49Å; L93-D97 PolarHBondContact O-N 3.47Å; D97-L100 PolarHBondContact O-N 2.92Å; D97-L101 WeakPolarHBondContact O-CB 3.49Å; D97-L101 WeakPolarHBondContact O-CD1 3.32Å; D97-L101 WeakPolarHBondContact O-CG 3.3Å; D97-L101 PolarHBondContact O-N 3.26Å; D97-N132 PolarHBondContact N-OD1 3.04Å; D97-N132 PolarHBondContact OD1-ND2 3.46Å; D97-N132 VanDerWaalsContact OD1-ND2 3.1Å; D97-N132 PolarHBondContact OD1-OD1 3.45Å; D97-R304 IonicContact OD1-NH1 2.74Å; D97-R304 PolarHBondContact OD1-NH1 2.93Å; D97-C305 HydrophobicContact CB-CB 4.03Å; D97-C305 PolarHBondContact OD1-SG 2.67Å; D97-N308 PolarHBondContact OD2-ND2 3Å
98L95.1Very high92.4Very high27 Ų2725.1 Ų25.114%0.14113%0.134CC..Hα-helixtrans-62.3-43.1176.3-178.463.4000112.5V64 N67 I71 A94 L95 A96 L100 L101 L102V64-L98 HydrophobicContact CB-CD1 4.39Å; V64-L98 HydrophobicContact CG1-CD1 4.13Å; V64-L98 HydrophobicContact CG2-CD1 4.11Å; N67-L98 HydrophobicContact CB-CB 4.38Å; I71-L98 HydrophobicContact CD1-CD2 3.85Å; A94-L98 WeakPolarHBondContact O-CB 3.26Å; A94-L98 PolarHBondContact O-N 2.84Å; L95-L98 PolarHBondContact O-N 2.93Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 3.01Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 2.94Å; L98-L101 PolarHBondContact O-N 2.87Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.71Å
99L95.3Very high92.4Very high76 Ų7626.5 Ų26.540%0.39814%0.144SC..Hα-helixtrans-61.2-39177.2-73.2169.7000112L95 A96 W176L95-L99 HydrophobicContact CG-CD1 4.46Å; L95-L99 WeakPolarHBondContact O-CG 3.24Å; L95-L99 PolarHBondContact O-N 3.17Å; A96-L99 PolarHBondContact O-N 3.25Å; L99-W176 HydrophobicContact CD1-CH2 4Å; L99-W176 HydrophobicContact CD1-CZ3 4.45Å
100L95.1Very high92.2Very high1 Ų127.9 Ų27.91%0.00515%0.149CC..Hα-helixtrans-70.8-40.1174.2-176.758.7000112.5A96 D97 L98 L102 T103 C128 Y129 N132 Y302A96-L100 PolarHBondContact O-N 3.15Å; A96-L100 VanDerWaalsContact O-N 3.12Å; D97-L100 PolarHBondContact O-N 2.92Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 2.94Å; L100-L102 PolarHBondContact O-N 2.98Å; L100-T103 PolarHBondContact O-N 3.47Å; L100-T103 PolarHBondContact O-OG1 3.23Å; L100-C128 HydrophobicContact CD1-CB 4.25Å; L100-Y129 HydrophobicContact CD1-CD2 4.27Å; L100-Y129 HydrophobicContact CD2-CD2 4.24Å; L100-N132 HydrophobicContact CB-CB 4.04Å; L100-N132 HydrophobicContact CD2-CB 3.98Å; L100-N132 VanDerWaalsContact CD2-ND2 3.34Å; L100-N132 WeakPolarHBondContact CD2-ND2 3.23Å; L100-Y302 HydrophobicContact CD1-CD1 4.44Å; L100-Y302 HydrophobicContact CD1-CE1 3.61Å; L100-Y302 HydrophobicContact CD2-CD1 4.02Å; L100-Y302 HydrophobicContact CD2-CE1 3.91Å; L100-Y302 HydrophobicContact CG-CD1 4.05Å; L100-Y302 HydrophobicContact CG-CE1 3.71Å
101L95.8Very high92Very high1 Ų127.5 Ų27.51%0.00515%0.148CC..Hα-helixtrans-61.1-34.4178.2-72.2162.3000111.7I59 F60 V64 N67 D97 L98 T103 L104 C305I59-L101 HydrophobicContact CG2-CD2 3.79Å; I59-L101 WeakPolarHBondContact O-CD2 3.39Å; F60-L101 WeakPolarHBondContact CD2-O 3.47Å; V64-L101 HydrophobicContact CG2-CB 4Å; N67-L101 WeakPolarHBondContact ND2-CD1 3.31Å; D97-L101 WeakPolarHBondContact O-CB 3.49Å; D97-L101 WeakPolarHBondContact O-CD1 3.32Å; D97-L101 WeakPolarHBondContact O-CG 3.3Å; D97-L101 PolarHBondContact O-N 3.26Å; L98-L101 PolarHBondContact O-N 2.87Å; L101-T103 PolarHBondContact O-N 3.32Å; L101-L104 HydrophobicContact CD2-CD1 3.7Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 2.95Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L101-C305 HydrophobicContact CD1-CB 4.27Å; L101-C305 HydrophobicContact CD2-CB 4.1Å; L101-C305 HydrophobicContact CG-CB 4.1Å
102L94.8Very high91.6Very high100 Ų10029.2 Ų29.252%0.52416%0.156SC..THydrogen-bonded Turntrans-64.4-17.8175.5-70.2172.2000114.1L98 L100 P105L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.71Å; L100-L102 PolarHBondContact O-N 2.98Å; L102-P105 WeakPolarHBondContact O-CD 3.48Å
103T92.9Very high91.1Very high8 Ų836.2 Ų36.25%0.04918%0.181CC..THydrogen-bonded Turntrans-91.1-8.9175.273.70000113.5L100 L101 P105 L106 Q107 C128L100-T103 PolarHBondContact O-N 3.47Å; L100-T103 PolarHBondContact O-OG1 3.23Å; L101-T103 PolarHBondContact O-N 3.32Å; T103-P105 VanDerWaalsContact C-CD 3.48Å; T103-L106 WeakPolarHBondContact O-CB 3.44Å; T103-L106 PolarHBondContact O-N 3.19Å; T103-L106 VanDerWaalsContact O-N 3.15Å; T103-Q107 PolarHBondContact O-N 2.95Å; T103-C128 HydrophobicContact CG2-CB 3.89Å
104L92Very high90.7Very high2 Ų236.4 Ų36.41%0.0118%0.184CC..Hα-helixtrans-57.8-37.1178.5-77.5179.8000115.1F56 I59 F60 L101 L106 Q107 A108 Y302F56-L104 HydrophobicContact CB-CD2 4.27Å; F56-L104 HydrophobicContact CD1-CD2 3.59Å; F56-L104 HydrophobicContact CE1-CD2 4.02Å; F56-L104 HydrophobicContact CG-CD2 3.91Å; I59-L104 HydrophobicContact CB-CD1 4.09Å; I59-L104 HydrophobicContact CG2-CD1 3.73Å; F60-L104 HydrophobicContact CB-CB 4.49Å; F60-L104 HydrophobicContact CB-CD1 4.16Å; F60-L104 HydrophobicContact CD2-CB 4.43Å; L101-L104 HydrophobicContact CD2-CD1 3.7Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 2.95Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.23Å; L104-Q107 PolarHBondContact O-N 3.44Å; L104-A108 WeakPolarHBondContact O-CB 3.3Å; L104-A108 PolarHBondContact O-N 2.97Å; L104-Y302 HydrophobicContact CD2-CD1 3.39Å; L104-Y302 HydrophobicContact CD2-CD2 4.34Å; L104-Y302 HydrophobicContact CD2-CE1 3.69Å; L104-Y302 HydrophobicContact CD2-CG 3.74Å; L104-Y302 HydrophobicContact CG-CD1 4.17Å; L104-Y302 HydrophobicContact CG-CE1 4.47Å
105P92.1Very high90.5Very high66 Ų6636.5 Ų36.543%0.42918%0.184SC..Hα-helixtrans-60.3-36175.8-26.136.6000113.1F60 L102 T103 S109F60-P105 HydrophobicContact CD2-CG 4.1Å; F60-P105 HydrophobicContact CE2-CG 3.9Å; F60-P105 HydrophobicContact CZ-CG 4.42Å; L102-P105 WeakPolarHBondContact O-CD 3.48Å; T103-P105 VanDerWaalsContact C-CD 3.48Å; P105-S109 PolarHBondContact O-N 3.14Å; P105-S109 PolarHBondContact O-OG 2.87Å
106L91.3Very high90.3Very high31 Ų3139 Ų3916%0.16220%0.196CC..Hα-helixtrans-66.9-45.2175.1-55.7174.2000110.7T103 L104 A108 S109 Y110 W115 F117 L121 M125T103-L106 WeakPolarHBondContact O-CB 3.44Å; T103-L106 PolarHBondContact O-N 3.19Å; T103-L106 VanDerWaalsContact O-N 3.15Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.23Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 2.89Å; L106-S109 PolarHBondContact O-N 3.41Å; L106-S109 PolarHBondContact O-OG 2.97Å; L106-S109 VanDerWaalsContact O-OG 3.05Å; L106-Y110 VanDerWaalsContact O-CB 3.26Å; L106-Y110 WeakPolarHBondContact O-CB 3.38Å; L106-Y110 PolarHBondContact O-N 3.48Å; L106-W115 HydrophobicContact CB-CH2 4.49Å; L106-F117 HydrophobicContact CB-CE2 4.07Å; L106-F117 HydrophobicContact CD2-CD1 4.29Å; L106-F117 HydrophobicContact CD2-CD2 4.05Å; L106-F117 HydrophobicContact CD2-CE1 3.9Å; L106-F117 HydrophobicContact CD2-CE2 3.61Å; L106-F117 HydrophobicContact CD2-CG 4.37Å; L106-F117 HydrophobicContact CD2-CZ 3.53Å; L106-F117 HydrophobicContact CG-CE2 4.46Å; L106-L121 HydrophobicContact CD1-CB 4.43Å; L106-L121 HydrophobicContact CD1-CD2 4.31Å; L106-L121 HydrophobicContact CD2-CD1 4.32Å; L106-M125 HydrophobicContact CB-SD 4.15Å
107Q88.8Confident90.1Very high21 Ų2141.6 Ų41.610%0.09821%0.207CC..Hα-helixtrans-63-38.4177.9-171.571.926.100112F56 T103 L104 T111 M125F56-Q107 HydrophobicContact CD2-CB 4.48Å; F56-Q107 HydrophobicContact CD2-CG 4.13Å; F56-Q107 HydrophobicContact CE2-CB 4.2Å; F56-Q107 HydrophobicContact CE2-CG 3.39Å; F56-Q107 HydrophobicContact CZ-CG 3.75Å; T103-Q107 PolarHBondContact O-N 2.95Å; L104-Q107 PolarHBondContact O-N 3.44Å; Q107-T111 PolarHBondContact O-N 2.86Å; Q107-T111 VanDerWaalsContact O-N 3.16Å; Q107-T111 PolarHBondContact O-OG1 3.28Å; Q107-M125 HydrophobicContact CB-SD 4.17Å; Q107-M125 PolarHBondContact OE1-SD 3.25Å
108A88.4Confident89.9Confident12 Ų1245.8 Ų45.810%0.09924%0.235CC..Hα-helixtrans-64.3-49.6176.300000111.6T53 F56 L104 L106 Y110 T111T53-A108 HydrophobicContact CG2-CB 4.41Å; F56-A108 HydrophobicContact CB-CB 4.37Å; F56-A108 HydrophobicContact CD2-CB 4.25Å; L104-A108 WeakPolarHBondContact O-CB 3.3Å; L104-A108 PolarHBondContact O-N 2.97Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 2.89Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 3.37Å; A108-T111 WeakPolarHBondContact O-CB 3.07Å; A108-T111 PolarHBondContact O-N 3.28Å
109S89.4Confident89.6Confident30 Ų3048.1 Ų48.121%0.2125%0.25CC..Hα-helixtrans-65.9-36.6176.961.80000112.7P105 L106 T111 H112 W113 F117P105-S109 PolarHBondContact O-N 3.14Å; P105-S109 PolarHBondContact O-OG 2.87Å; L106-S109 PolarHBondContact O-N 3.41Å; L106-S109 PolarHBondContact O-OG 2.97Å; L106-S109 VanDerWaalsContact O-OG 3.05Å; S109-T111 PolarHBondContact O-N 3.12Å; S109-H112 PolarHBondContact O-N 2.68Å; S109-H112 VanDerWaalsContact O-N 3.1Å; S109-W113 PolarHBondContact O-N 3.03Å; S109-F117 WeakPolarHBondContact OG-CE2 3.49Å; S109-F117 VanDerWaalsContact OG-CZ 3.29Å; S109-F117 WeakPolarHBondContact OG-CZ 3.44Å
110Y85.6Confident89.3Confident38 Ų3847.8 Ų47.815%0.14926%0.258CS..Hα-helixtrans-55.2-38.4173.9166.4-113.5000112.3L106 A108 H112 G114 W115 Y202L106-Y110 VanDerWaalsContact O-CB 3.26Å; L106-Y110 WeakPolarHBondContact O-CB 3.38Å; L106-Y110 PolarHBondContact O-N 3.48Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 3.37Å; Y110-H112 PolarHBondContact O-N 2.96Å; Y110-G114 WeakPolarHBondContact CA-O 3.38Å; Y110-G114 WeakPolarHBondContact O-CA 3.26Å; Y110-G114 PolarHBondContact O-N 3.38Å; Y110-W115 HydrophobicContact CD2-CB 4Å; Y110-W115 AromaticContact CD2-CE3 3.83Å; Y110-W115 HydrophobicContact CD2-CE3 3.83Å; Y110-W115 HydrophobicContact CE2-CB 4.17Å; Y110-W115 HydrophobicContact CG-CE3 4.1Å; Y110-Y202 HydrophobicContact CE2-CD1 4.3Å
111T82.5Confident89.1Confident15 Ų1550.8 Ų50.89%0.09227%0.274CS..Hα-helixtrans-65.9-24.1-179.4-46.30000112.9P49 Q52 Q107 A108 S109 Y295P49-T111 HydrophobicContact CB-CG2 3.95Å; P49-T111 HydrophobicContact CG-CG2 4.34Å; Q52-T111 HydrophobicContact CB-CG2 4.21Å; Q52-T111 HydrophobicContact CG-CG2 4.18Å; Q52-T111 PolarHBondContact NE2-OG1 2.91Å; Q107-T111 PolarHBondContact O-N 2.86Å; Q107-T111 VanDerWaalsContact O-N 3.16Å; Q107-T111 PolarHBondContact O-OG1 3.28Å; A108-T111 WeakPolarHBondContact O-CB 3.07Å; A108-T111 PolarHBondContact O-N 3.28Å; S109-T111 PolarHBondContact O-N 3.12Å; T111-Y295 HydrophobicContact CG2-CE1 4.43Å
112H82.3Confident88.8Confident85 Ų8550.8 Ų50.839%0.39427%0.273SS..Hα-helixtrans-97.7-40.7179.3-75.5-81.8000114P49 T53 S109 Y110P49-H112 VanDerWaalsContact CB-CE1 3.49Å; P49-H112 WeakPolarHBondContact CB-CE1 3.16Å; P49-H112 PolarHBondContact O-NE2 3.01Å; T53-H112 WeakPolarHBondContact CB-NE2 3.49Å; T53-H112 PolarHBondContact OG1-CD2 3.21Å; T53-H112 PolarHBondContact OG1-NE2 2.97Å; S109-H112 PolarHBondContact O-N 2.68Å; S109-H112 VanDerWaalsContact O-N 3.1Å; Y110-H112 PolarHBondContact O-N 2.96Å
113W82.9Confident88.6Confident183 Ų18348 Ų4869%0.69326%0.259SS*.Hα-helixtrans-114.5-0.7-166.5-56.6102.2000113.8S109 I116S109-W113 PolarHBondContact O-N 3.03Å; W113-I116 HydrophobicContact CB-CG2 3.99Å
114G82.9Confident88.5Confident6 Ų651.2 Ų51.26%0.06228%0.279CS..  trans68-168.9-162.600000111.4Y110 I116Y110-G114 WeakPolarHBondContact CA-O 3.38Å; Y110-G114 WeakPolarHBondContact O-CA 3.26Å; Y110-G114 PolarHBondContact O-N 3.38Å; G114-I116 PolarHBondContact O-N 3.29Å; G114-I116 VanDerWaalsContact O-N 3.11Å
115W87.8Confident88.5Confident4 Ų451.4 Ų51.42%0.01528%0.28CS..  trans-85.185.9-172.3-168.3-92.2000112L106 Y110 F117 L121 C122 M125 V192 K201 C203L106-W115 HydrophobicContact CB-CH2 4.49Å; Y110-W115 HydrophobicContact CD2-CB 4Å; Y110-W115 AromaticContact CD2-CE3 3.83Å; Y110-W115 HydrophobicContact CD2-CE3 3.83Å; Y110-W115 HydrophobicContact CE2-CB 4.17Å; Y110-W115 HydrophobicContact CG-CE3 4.1Å; W115-F117 VanDerWaalsContact C-N 3.33Å; W115-F117 HydrophobicContact CD2-CD2 4.49Å; W115-F117 HydrophobicContact CE3-CD2 4.4Å; W115-F117 HydrophobicContact CH2-CB 4.34Å; W115-F117 AromaticContact CH2-CD2 3.87Å; W115-F117 HydrophobicContact CH2-CD2 3.87Å; W115-F117 HydrophobicContact CZ2-CB 3.57Å; W115-F117 AromaticContact CZ2-CD2 3.93Å; W115-F117 HydrophobicContact CZ2-CD2 3.93Å; W115-F117 HydrophobicContact CZ2-CG 4.22Å; W115-F117 HydrophobicContact CZ3-CD2 4.1Å; W115-F117 PolarHBondContact NE1-O 3.1Å; W115-L121 HydrophobicContact CH2-CB 4.29Å; W115-L121 VanDerWaalsContact CZ2-C 3.44Å; W115-L121 HydrophobicContact CZ2-CB 3.82Å; W115-C122 HydrophobicContact CD2-CB 4.31Å; W115-C122 HydrophobicContact CH2-CB 4.27Å; W115-C122 HydrophobicContact CZ2-CB 3.63Å; W115-M125 HydrophobicContact CE3-CE 4.18Å; W115-M125 HydrophobicContact CH2-CE 4.05Å; W115-M125 HydrophobicContact CH2-SD 4.04Å; W115-M125 HydrophobicContact CZ3-CE 3.42Å; W115-M125 VanDerWaalsContact CZ3-CE 3.42Å; W115-M125 HydrophobicContact CZ3-SD 3.68Å; W115-V192 HydrophobicContact CG-CG2 4.23Å; W115-K201 HydrophobicContact CB-CB 4.15Å; W115-K201 WeakPolarHBondContact CB-O 3.32Å; W115-K201 PolarHBondContact N-O 2.03Å; W115-K201 VanDerWaalsContact O-CB 3.32Å; W115-K201 WeakPolarHBondContact O-CB 3.42Å; W115-C203 HydrophobicContact CB-CB 4.47Å; W115-C203 HydrophobicContact CD2-CB 3.7Å; W115-C203 HydrophobicContact CE3-CB 3.63Å; W115-C203 HydrophobicContact CG-CB 4.04Å; W115-C203 HydrophobicContact CZ3-CB 4.28Å
116I90.5Very high88.3Confident111 Ų11151.3 Ų51.357%0.56927%0.271SS*.  trans-83-3.1179.863171.2000114.5W113 G114W113-I116 HydrophobicContact CB-CG2 3.99Å; G114-I116 PolarHBondContact O-N 3.29Å; G114-I116 VanDerWaalsContact O-N 3.11Å
117F90.8Very high88.3Confident57 Ų5750.5 Ų50.525%0.2527%0.268CS..SBendtrans-97.3165.2-173.8-59-68.8000112.9L106 S109 W115 L121L106-F117 HydrophobicContact CB-CE2 4.07Å; L106-F117 HydrophobicContact CD2-CD1 4.29Å; L106-F117 HydrophobicContact CD2-CD2 4.05Å; L106-F117 HydrophobicContact CD2-CE1 3.9Å; L106-F117 HydrophobicContact CD2-CE2 3.61Å; L106-F117 HydrophobicContact CD2-CG 4.37Å; L106-F117 HydrophobicContact CD2-CZ 3.53Å; L106-F117 HydrophobicContact CG-CE2 4.46Å; S109-F117 WeakPolarHBondContact OG-CE2 3.49Å; S109-F117 VanDerWaalsContact OG-CZ 3.29Å; S109-F117 WeakPolarHBondContact OG-CZ 3.44Å; W115-F117 VanDerWaalsContact C-N 3.33Å; W115-F117 HydrophobicContact CD2-CD2 4.49Å; W115-F117 HydrophobicContact CE3-CD2 4.4Å; W115-F117 HydrophobicContact CH2-CB 4.34Å; W115-F117 AromaticContact CH2-CD2 3.87Å; W115-F117 HydrophobicContact CH2-CD2 3.87Å; W115-F117 HydrophobicContact CZ2-CB 3.57Å; W115-F117 AromaticContact CZ2-CD2 3.93Å; W115-F117 HydrophobicContact CZ2-CD2 3.93Å; W115-F117 HydrophobicContact CZ2-CG 4.22Å; W115-F117 HydrophobicContact CZ3-CD2 4.1Å; W115-F117 PolarHBondContact NE1-O 3.1Å; F117-L121 HydrophobicContact CB-CB 4.19Å; F117-L121 HydrophobicContact CB-CD1 4.07Å; F117-L121 HydrophobicContact CD1-CD1 4.15Å; F117-L121 HydrophobicContact CG-CD1 4.23Å
118P90.6Very high88.5Confident88 Ų8850.8 Ų50.857%0.57127%0.273SS*.  trans-58.1152.9170.6-24.935.3000113.2A120 L121P118-A120 PolarHBondContact O-N 2.91Å; P118-L121 PolarHBondContact O-N 3.3Å
119V89.3Confident88.7Confident76 Ų7651.4 Ų51.446%0.46127%0.272SS..Hα-helixtrans-52.5-39.7176.6-174.70000111.7L121 C122 N123 V192V119-L121 PolarHBondContact O-N 2.94Å; V119-L121 VanDerWaalsContact O-N 3.16Å; V119-C122 WeakPolarHBondContact O-CA 3.2Å; V119-C122 VanDerWaalsContact O-CB 3.3Å; V119-C122 WeakPolarHBondContact O-CB 3.24Å; V119-C122 PolarHBondContact O-N 2.89Å; V119-N123 PolarHBondContact O-N 3.06Å; V119-N123 PolarHBondContact O-OD1 2.78Å; V119-V192 HydrophobicContact CB-CG2 4.31Å; V119-V192 HydrophobicContact CG1-CG2 4.44Å; V119-V192 HydrophobicContact CG2-CB 4.28Å; V119-V192 HydrophobicContact CG2-CG2 3.89Å
120A89.8Confident88.7Confident69 Ų6950.4 Ų50.457%0.5727%0.266SS*.Hα-helixtrans-54.2-37.1177.800000113.8P118 V124P118-A120 PolarHBondContact O-N 2.91Å; A120-V124 VanDerWaalsContact O-CG2 3.29Å; A120-V124 WeakPolarHBondContact O-CG2 3.3Å; A120-V124 PolarHBondContact O-N 3.42Å
121L90.9Very high89.1Confident64 Ų6450 Ų5034%0.33527%0.266SS..Hα-helixtrans-75.1-26.8177-74.1-179.3000112.6L106 W115 F117 P118 V119 M125L106-L121 HydrophobicContact CD1-CB 4.43Å; L106-L121 HydrophobicContact CD1-CD2 4.31Å; L106-L121 HydrophobicContact CD2-CD1 4.32Å; W115-L121 HydrophobicContact CH2-CB 4.29Å; W115-L121 VanDerWaalsContact CZ2-C 3.44Å; W115-L121 HydrophobicContact CZ2-CB 3.82Å; F117-L121 HydrophobicContact CB-CB 4.19Å; F117-L121 HydrophobicContact CB-CD1 4.07Å; F117-L121 HydrophobicContact CD1-CD1 4.15Å; F117-L121 HydrophobicContact CG-CD1 4.23Å; P118-L121 PolarHBondContact O-N 3.3Å; V119-L121 PolarHBondContact O-N 2.94Å; V119-L121 VanDerWaalsContact O-N 3.16Å; L121-M125 VanDerWaalsContact O-CB 3.25Å; L121-M125 WeakPolarHBondContact O-CB 3.48Å; L121-M125 PolarHBondContact O-N 3.3Å
122C89.5Confident89.6Confident0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-67-48.9173.8169.90000109.1W115 V119 V124 M125 R126 G191 V192 C203W115-C122 HydrophobicContact CD2-CB 4.31Å; W115-C122 HydrophobicContact CH2-CB 4.27Å; W115-C122 HydrophobicContact CZ2-CB 3.63Å; V119-C122 WeakPolarHBondContact O-CA 3.2Å; V119-C122 VanDerWaalsContact O-CB 3.3Å; V119-C122 WeakPolarHBondContact O-CB 3.24Å; V119-C122 PolarHBondContact O-N 2.89Å; C122-V124 PolarHBondContact O-N 2.94Å; C122-M125 PolarHBondContact O-N 3.01Å; C122-R126 WeakPolarHBondContact O-CG 3.34Å; C122-R126 PolarHBondContact O-N 3.06Å; C122-G191 PolarHBondContact SG-O 3.15Å; C122-V192 HydrophobicContact CB-CG2 4.18Å; C122-C203 WeakPolarHBondContact CA-SG 3.44Å; C122-C203 HydrophobicContact CB-CB 3.9Å; C122-C203 WeakPolarHBondContact CB-SG 3.29Å; C122-C203 WeakPolarHBondContact SG-CA 3.19Å; C122-C203 WeakPolarHBondContact SG-CB 3.36Å; C122-C203 CovalentContact SG-SG 2.03Å; C122-C203 PolarHBondContact SG-SG 3.42Å
123N89.8Confident89.9Confident41 Ų4145.3 Ų45.322%0.21924%0.243CC..Hα-helixtrans-63.3-42.6179.7-62.940.2000110.9V119 A127 S190V119-N123 PolarHBondContact O-N 3.06Å; V119-N123 PolarHBondContact O-OD1 2.78Å; N123-A127 WeakPolarHBondContact O-CB 3.36Å; N123-A127 PolarHBondContact O-N 2.87Å; N123-S190 WeakPolarHBondContact CA-OG 3.49Å; N123-S190 VanDerWaalsContact CG-OG 3.29Å; N123-S190 PolarHBondContact ND2-O 3.41Å; N123-S190 PolarHBondContact ND2-OG 3.34Å; N123-S190 PolarHBondContact OD1-O 3.29Å
124V91.6Very high90.3Very high76 Ų7636.7 Ų36.746%0.46121%0.211SC..Hα-helixtrans-61.3-46.2173.3168.40000111.8A120 C122 A127 C128A120-V124 VanDerWaalsContact O-CG2 3.29Å; A120-V124 WeakPolarHBondContact O-CG2 3.3Å; A120-V124 PolarHBondContact O-N 3.42Å; C122-V124 PolarHBondContact O-N 2.94Å; V124-A127 PolarHBondContact O-N 3.08Å; V124-C128 WeakPolarHBondContact O-CB 3.36Å; V124-C128 PolarHBondContact O-N 3.16Å; V124-C128 PolarHBondContact O-SG 3.01Å; V124-C128 VanDerWaalsContact O-SG 3.33Å
125M91.3Very high90.8Very high7 Ų736.4 Ų36.43%0.03421%0.208CC..Hα-helixtrans-61.2-48-179.6-176178.177.900112L106 Q107 W115 L121 C122 C128 Y129 C203L106-M125 HydrophobicContact CB-SD 4.15Å; Q107-M125 HydrophobicContact CB-SD 4.17Å; Q107-M125 PolarHBondContact OE1-SD 3.25Å; W115-M125 HydrophobicContact CE3-CE 4.18Å; W115-M125 HydrophobicContact CH2-CE 4.05Å; W115-M125 HydrophobicContact CH2-SD 4.04Å; W115-M125 HydrophobicContact CZ3-CE 3.42Å; W115-M125 VanDerWaalsContact CZ3-CE 3.42Å; W115-M125 HydrophobicContact CZ3-SD 3.68Å; L121-M125 VanDerWaalsContact O-CB 3.25Å; L121-M125 WeakPolarHBondContact O-CB 3.48Å; L121-M125 PolarHBondContact O-N 3.3Å; C122-M125 PolarHBondContact O-N 3.01Å; M125-C128 PolarHBondContact O-N 3.46Å; M125-Y129 PolarHBondContact O-N 2.95Å; M125-Y129 VanDerWaalsContact O-N 3.13Å; M125-C203 HydrophobicContact CE-CB 4.38Å
126R88.9Confident91Very high64 Ų6436.2 Ų36.224%0.24221%0.207CC..Hα-helixtrans-68.5-38.4178.4-64.7-172.167.9120.15.3111.9C122 Y129 A130 E186 C203C122-R126 WeakPolarHBondContact O-CG 3.34Å; C122-R126 PolarHBondContact O-N 3.06Å; R126-Y129 PolarHBondContact O-N 3.29Å; R126-A130 PolarHBondContact O-N 2.93Å; R126-E186 HydrophobicContact CB-CG 4Å; R126-E186 IonicContact CZ-OE1 3.44Å; R126-E186 IonicContact NE-OE1 3.3Å; R126-E186 PolarHBondContact NE-OE1 2.71Å; R126-E186 IonicContact NH2-OE1 3.11Å; R126-E186 PolarHBondContact NH2-OE1 3.35Å; R126-E186 IonicContact NH2-OE2 2.94Å; R126-C203 VanDerWaalsContact CD-SG 3.51Å; R126-C203 PolarHBondContact NH1-O 2.94Å
127A91.1Very high90.9Very high13 Ų1331.3 Ų31.311%0.10718%0.182CC..Hα-helixtrans-60.2-48.5172.600000112.3N123 V124 Y129 A130 I131 I187N123-A127 WeakPolarHBondContact O-CB 3.36Å; N123-A127 PolarHBondContact O-N 2.87Å; V124-A127 PolarHBondContact O-N 3.08Å; A127-Y129 VanDerWaalsContact C-N 3.28Å; A127-Y129 PolarHBondContact O-N 2.87Å; A127-A130 PolarHBondContact O-N 3.22Å; A127-I131 HydrophobicContact CB-CD1 4.4Å; A127-I131 VanDerWaalsContact O-CB 3.29Å; A127-I131 WeakPolarHBondContact O-CB 3.06Å; A127-I131 WeakPolarHBondContact O-CD1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 3.43Å; A127-I187 HydrophobicContact CB-CD1 4.33Å; A127-I187 HydrophobicContact CB-CG1 3.64Å
128C93.7Very high90.9Very high28 Ų2830.5 Ų30.519%0.18918%0.18CC..Hα-helixtrans-58.8-40177.2-75.90000111.8L100 T103 V124 M125 N132L100-C128 HydrophobicContact CD1-CB 4.25Å; T103-C128 HydrophobicContact CG2-CB 3.89Å; V124-C128 WeakPolarHBondContact O-CB 3.36Å; V124-C128 PolarHBondContact O-N 3.16Å; V124-C128 PolarHBondContact O-SG 3.01Å; V124-C128 VanDerWaalsContact O-SG 3.33Å; M125-C128 PolarHBondContact O-N 3.46Å; C128-N132 VanDerWaalsContact O-CB 3.3Å; C128-N132 WeakPolarHBondContact O-CB 3.35Å; C128-N132 PolarHBondContact O-N 3.44Å
129Y91.2Very high90.9Very high25 Ų2526.3 Ų26.310%0.09815%0.152CC..Hα-helixtrans-64-50.2176.6-177-88.5000112.6L100 M125 R126 A127 T133 Q273 Y276 Y302L100-Y129 HydrophobicContact CD1-CD2 4.27Å; L100-Y129 HydrophobicContact CD2-CD2 4.24Å; M125-Y129 PolarHBondContact O-N 2.95Å; M125-Y129 VanDerWaalsContact O-N 3.13Å; R126-Y129 PolarHBondContact O-N 3.29Å; A127-Y129 VanDerWaalsContact C-N 3.28Å; A127-Y129 PolarHBondContact O-N 2.87Å; Y129-T133 WeakPolarHBondContact O-CB 3.37Å; Y129-T133 PolarHBondContact O-N 3.12Å; Y129-T133 PolarHBondContact O-OG1 3.35Å; Y129-Q273 PolarHBondContact OH-NE2 2.87Å; Y129-Y276 HydrophobicContact CE1-CE1 4.08Å; Y129-Y276 AromaticContact CZ-CE1 3.76Å; Y129-Y276 WeakPolarHBondContact OH-CD1 3.44Å; Y129-Y276 WeakPolarHBondContact OH-CE1 3.45Å; Y129-Y302 HydrophobicContact CD2-CE1 4.15Å; Y129-Y302 HydrophobicContact CD2-CE2 4.22Å; Y129-Y302 AromaticContact CD2-CZ 3.73Å; Y129-Y302 HydrophobicContact CE2-CE2 4.2Å
130A90Very high90.8Very high8 Ų823.1 Ų23.17%0.06613%0.133CC..Hα-helixtrans-63.3-49178.400000111.7R126 A127 N132 T133 Y134 S183 E186R126-A130 PolarHBondContact O-N 2.93Å; A127-A130 PolarHBondContact O-N 3.22Å; A130-N132 PolarHBondContact O-N 3.33Å; A130-T133 PolarHBondContact O-N 3.44Å; A130-T133 VanDerWaalsContact O-N 3.13Å; A130-Y134 HydrophobicContact CB-CD2 4.46Å; A130-Y134 HydrophobicContact CB-CE2 4.33Å; A130-Y134 WeakPolarHBondContact O-CD2 3.3Å; A130-Y134 PolarHBondContact O-N 3.04Å; A130-S183 WeakPolarHBondContact CB-OG 3.3Å; A130-E186 HydrophobicContact CB-CB 4.1Å; A130-E186 HydrophobicContact CB-CG 4.02Å
131I93.1Very high90.7Very high30 Ų3020.2 Ų20.215%0.15411%0.109CC..Hα-helixtrans-59.1-48.2-179.7-67.3166.4000110A127 T133 Y134 S135 W176 I180 S183A127-I131 HydrophobicContact CB-CD1 4.4Å; A127-I131 VanDerWaalsContact O-CB 3.29Å; A127-I131 WeakPolarHBondContact O-CB 3.06Å; A127-I131 WeakPolarHBondContact O-CD1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 3.43Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 3.46Å; I131-Y134 PolarHBondContact O-N 2.99Å; I131-S135 VanDerWaalsContact O-CB 3.27Å; I131-S135 WeakPolarHBondContact O-CB 3.4Å; I131-S135 PolarHBondContact O-N 3.39Å; I131-S135 PolarHBondContact O-OG 3.32Å; I131-W176 HydrophobicContact CG2-CE3 4.09Å; I131-W176 HydrophobicContact CG2-CZ3 3.67Å; I131-I180 HydrophobicContact CD1-CG1 4.05Å; I131-I180 HydrophobicContact CG1-CG1 4.25Å; I131-S183 WeakPolarHBondContact CA-OG 3.04Å; I131-S183 WeakPolarHBondContact CG1-OG 3.47Å; I131-S183 PolarHBondContact N-OG 3.46Å
132N93.8Very high90.7Very high2 Ų218.5 Ų18.51%0.01110%0.102CC..Hα-helixtrans-62.5-37.3178.3-172.243.2000112.4A96 D97 L100 C128 A130 G136 R304A96-N132 VanDerWaalsContact CB-OD1 3.23Å; A96-N132 WeakPolarHBondContact CB-OD1 3.41Å; A96-N132 PolarHBondContact O-OD1 2.97Å; D97-N132 PolarHBondContact N-OD1 3.04Å; D97-N132 PolarHBondContact OD1-ND2 3.46Å; D97-N132 VanDerWaalsContact OD1-ND2 3.1Å; D97-N132 PolarHBondContact OD1-OD1 3.45Å; L100-N132 HydrophobicContact CB-CB 4.04Å; L100-N132 HydrophobicContact CD2-CB 3.98Å; L100-N132 VanDerWaalsContact CD2-ND2 3.34Å; L100-N132 WeakPolarHBondContact CD2-ND2 3.23Å; C128-N132 VanDerWaalsContact O-CB 3.3Å; C128-N132 WeakPolarHBondContact O-CB 3.35Å; C128-N132 PolarHBondContact O-N 3.44Å; A130-N132 PolarHBondContact O-N 3.33Å; N132-G136 WeakPolarHBondContact O-CA 3.47Å; N132-G136 PolarHBondContact O-N 2.86Å; N132-R304 PolarHBondContact ND2-NH2 2.86Å
133T89Confident90.6Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-66.6-49.5179.7-60.50000111.2Y129 A130 I131 L137 I219Y129-T133 WeakPolarHBondContact O-CB 3.37Å; Y129-T133 PolarHBondContact O-N 3.12Å; Y129-T133 PolarHBondContact O-OG1 3.35Å; A130-T133 PolarHBondContact O-N 3.44Å; A130-T133 VanDerWaalsContact O-N 3.13Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 3.46Å; T133-L137 WeakPolarHBondContact O-CG 3.13Å; T133-L137 PolarHBondContact O-N 3.41Å; T133-I219 HydrophobicContact CG2-CG2 4.39Å
134Y91.1Very high90.3Very high2 Ų216.6 Ų16.61%0.0089%0.092CC..Hα-helixtrans-68.5-47177.2-68-62000112.6A130 I131 G136 L137 L138 L182 S183 I219 V222A130-Y134 HydrophobicContact CB-CD2 4.46Å; A130-Y134 HydrophobicContact CB-CE2 4.33Å; A130-Y134 WeakPolarHBondContact O-CD2 3.3Å; A130-Y134 PolarHBondContact O-N 3.04Å; I131-Y134 PolarHBondContact O-N 2.99Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.19Å; Y134-L137 PolarHBondContact O-N 2.99Å; Y134-L138 WeakPolarHBondContact O-CB 3.09Å; Y134-L138 VanDerWaalsContact O-CG 3.29Å; Y134-L138 WeakPolarHBondContact O-CG 3.29Å; Y134-L138 PolarHBondContact O-N 2.87Å; Y134-L138 VanDerWaalsContact O-N 3.09Å; Y134-L182 HydrophobicContact CD1-CB 4.07Å; Y134-L182 HydrophobicContact CD1-CD1 3.92Å; Y134-L182 HydrophobicContact CD2-CB 3.82Å; Y134-L182 HydrophobicContact CE1-CB 4.06Å; Y134-L182 HydrophobicContact CE1-CD1 4.31Å; Y134-L182 HydrophobicContact CE2-CB 3.81Å; Y134-L182 WeakPolarHBondContact CE2-O 3.16Å; Y134-L182 HydrophobicContact CG-CB 3.95Å; Y134-L182 HydrophobicContact CG-CD1 4.24Å; Y134-S183 WeakPolarHBondContact CD2-OG 3.43Å; Y134-I219 HydrophobicContact CE1-CG1 3.91Å; Y134-I219 WeakPolarHBondContact OH-CG1 3.26Å; Y134-V222 HydrophobicContact CD1-CB 4.22Å; Y134-V222 HydrophobicContact CD1-CG1 4.25Å; Y134-V222 HydrophobicContact CD1-CG2 4.04Å; Y134-V222 HydrophobicContact CE1-CB 4.45Å; Y134-V222 HydrophobicContact CE1-CG2 4.1Å
135S93.8Very high90.1Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-64.6-39179.267.40000111.4I131 L138 L139I131-S135 VanDerWaalsContact O-CB 3.27Å; I131-S135 WeakPolarHBondContact O-CB 3.4Å; I131-S135 PolarHBondContact O-N 3.39Å; I131-S135 PolarHBondContact O-OG 3.32Å; S135-L138 PolarHBondContact O-N 3.39Å; S135-L139 WeakPolarHBondContact O-CB 3.36Å; S135-L139 WeakPolarHBondContact O-CG 3.47Å; S135-L139 PolarHBondContact O-N 3.41Å
136G91.2Very high89.8Confident0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-60.4-47.4177.100000112.5N132 Y134 L140N132-G136 WeakPolarHBondContact O-CA 3.47Å; N132-G136 PolarHBondContact O-N 2.86Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.19Å; G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 VanDerWaalsContact O-CG 3.25Å; G136-L140 WeakPolarHBondContact O-CG 3.27Å; G136-L140 PolarHBondContact O-N 2.93Å
137L88.5Confident89.5Confident8 Ų815.9 Ų15.94%0.0429%0.087CC..Hα-helixtrans-58.7-49.5175.3-80.7169.8000112.5T133 Y134 L140 G141 V222 F223 S226 F269T133-L137 WeakPolarHBondContact O-CG 3.13Å; T133-L137 PolarHBondContact O-N 3.41Å; Y134-L137 PolarHBondContact O-N 2.99Å; L137-L140 PolarHBondContact O-N 3.33Å; L137-G141 PolarHBondContact O-N 3.12Å; L137-V222 HydrophobicContact CB-CG1 4.02Å; L137-V222 HydrophobicContact CD1-CB 4.44Å; L137-V222 HydrophobicContact CD1-CG1 3.98Å; L137-F223 HydrophobicContact CD1-CB 4.12Å; L137-F223 HydrophobicContact CD2-CB 4.47Å; L137-F223 HydrophobicContact CD2-CD2 3.97Å; L137-S226 PolarHBondContact O-OG 3.17Å; L137-F269 HydrophobicContact CD1-CE1 4.2Å; L137-F269 HydrophobicContact CD1-CZ 4.06Å; L137-F269 HydrophobicContact CD2-CD1 3.77Å; L137-F269 HydrophobicContact CD2-CE1 3.32Å; L137-F269 HydrophobicContact CD2-CE2 4.15Å; L137-F269 HydrophobicContact CD2-CG 4.39Å; L137-F269 HydrophobicContact CD2-CZ 3.57Å; L137-F269 HydrophobicContact CG-CE1 3.7Å; L137-F269 HydrophobicContact CG-CE2 4.02Å; L137-F269 HydrophobicContact CG-CZ 3.42Å; L137-F269 VanDerWaalsContact CG-CZ 3.42Å
138L91.1Very high89.1Confident39 Ų3918.5 Ų18.520%0.2049%0.094CC..Hα-helixtrans-67.8-42.6-178-67.8171.3000112.1Y134 S135 L140 G141 C142 V175 V178 V222Y134-L138 WeakPolarHBondContact O-CB 3.09Å; Y134-L138 VanDerWaalsContact O-CG 3.29Å; Y134-L138 WeakPolarHBondContact O-CG 3.29Å; Y134-L138 PolarHBondContact O-N 2.87Å; Y134-L138 VanDerWaalsContact O-N 3.09Å; S135-L138 PolarHBondContact O-N 3.39Å; L138-L140 PolarHBondContact O-N 2.62Å; L138-G141 WeakPolarHBondContact O-CA 3.17Å; L138-G141 PolarHBondContact O-N 3.15Å; L138-G141 VanDerWaalsContact O-N 3.14Å; L138-C142 PolarHBondContact O-N 2.98Å; L138-C142 PolarHBondContact O-SG 2.99Å; L138-V175 HydrophobicContact CB-CB 4.36Å; L138-V175 HydrophobicContact CB-CG1 3.55Å; L138-V175 HydrophobicContact CB-CG2 3.92Å; L138-V175 HydrophobicContact CD1-CG1 4.15Å; L138-V178 HydrophobicContact CD1-CB 4.26Å; L138-V178 HydrophobicContact CD1-CG1 3.79Å; L138-V222 HydrophobicContact CD2-CG1 4.24Å; L138-V222 HydrophobicContact CG-CG1 4.31Å
139L91Very high88.4Confident0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-62.1-41.8175.9-74.2170.5000111.6F89 H92 L93 S135 C142 I143 V175F89-L139 HydrophobicContact CB-CD2 4.13Å; F89-L139 HydrophobicContact CD1-CD2 3.91Å; F89-L139 HydrophobicContact CG-CD2 4.39Å; H92-L139 HydrophobicContact CB-CD1 3.99Å; H92-L139 HydrophobicContact CB-CD2 4.12Å; L93-L139 HydrophobicContact CB-CD1 4.04Å; L93-L139 HydrophobicContact CD1-CD1 4.3Å; S135-L139 WeakPolarHBondContact O-CB 3.36Å; S135-L139 WeakPolarHBondContact O-CG 3.47Å; S135-L139 PolarHBondContact O-N 3.41Å; L139-C142 PolarHBondContact O-N 3.33Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.17Å; L139-I143 PolarHBondContact O-N 3.36Å; L139-V175 HydrophobicContact CD2-CG1 4.22Å; L139-V175 HydrophobicContact CG-CG1 3.97Å
140L86.9Confident87.9Confident10 Ų1022 Ų225%0.05211%0.114CC..Hα-helixtrans-59.7-47.4171.7-74.1172.9000110.3G136 L137 L138 C142 I143 S144 M230 L265 F269G136-L140 WeakPolarHBondContact O-CB 3.36Å; G136-L140 VanDerWaalsContact O-CG 3.25Å; G136-L140 WeakPolarHBondContact O-CG 3.27Å; G136-L140 PolarHBondContact O-N 2.93Å; L137-L140 PolarHBondContact O-N 3.33Å; L138-L140 PolarHBondContact O-N 2.62Å; L140-C142 PolarHBondContact O-N 2.84Å; L140-I143 WeakPolarHBondContact O-CB 3.25Å; L140-I143 PolarHBondContact O-N 3.37Å; L140-I143 VanDerWaalsContact O-N 3.15Å; L140-S144 PolarHBondContact O-N 3.45Å; L140-S144 VanDerWaalsContact O-N 3.14Å; L140-M230 HydrophobicContact CB-CE 3.58Å; L140-M230 WeakPolarHBondContact O-CE 3.39Å; L140-L265 HydrophobicContact CD2-CB 3.95Å; L140-L265 HydrophobicContact CD2-CD1 4.12Å; L140-F269 HydrophobicContact CD1-CB 4.09Å; L140-F269 HydrophobicContact CD1-CD2 3.64Å; L140-F269 HydrophobicContact CD1-CG 4.08Å
141G88Confident87.2Confident7 Ų722.3 Ų22.37%0.07212%0.115CC..Hα-helixtrans-51.8-51.1173.800000112.9L137 L138 I143 S144 I145L137-G141 PolarHBondContact O-N 3.12Å; L138-G141 WeakPolarHBondContact O-CA 3.17Å; L138-G141 PolarHBondContact O-N 3.15Å; L138-G141 VanDerWaalsContact O-N 3.14Å; G141-I143 PolarHBondContact O-N 3.06Å; G141-S144 PolarHBondContact O-N 3.13Å; G141-S144 VanDerWaalsContact O-N 3.15Å; G141-I145 WeakPolarHBondContact O-CG1 3.24Å; G141-I145 PolarHBondContact O-N 2.82Å; G141-I145 VanDerWaalsContact O-N 3.09Å
142C89.8Confident86.3Confident28 Ų2822.7 Ų22.719%0.18912%0.123CC..Hα-helixtrans-61.6-38.1177-650000113.3F89 L138 L139 L140 S144 I145 D146F89-C142 HydrophobicContact CD1-CB 4.3Å; F89-C142 HydrophobicContact CD2-CB 3.97Å; F89-C142 HydrophobicContact CE1-CB 4Å; F89-C142 HydrophobicContact CE2-CB 3.64Å; F89-C142 HydrophobicContact CG-CB 4.3Å; F89-C142 HydrophobicContact CZ-CB 3.66Å; L138-C142 PolarHBondContact O-N 2.98Å; L138-C142 PolarHBondContact O-SG 2.99Å; L139-C142 PolarHBondContact O-N 3.33Å; L140-C142 PolarHBondContact O-N 2.84Å; C142-S144 VanDerWaalsContact C-N 3.27Å; C142-S144 PolarHBondContact O-N 3.33Å; C142-I145 PolarHBondContact O-N 3Å; C142-D146 WeakPolarHBondContact O-CB 3.35Å; C142-D146 PolarHBondContact O-N 2.94Å
143I87.4Confident85.3Confident1 Ų128.5 Ų28.51%0.00514%0.144CC..Hα-helixtrans-59.4-39.2174.5-75.5164.6000111T86 F89 L90 L139 L140 G141 D146 R147 M262T86-I143 HydrophobicContact CG2-CG1 4.06Å; T86-I143 HydrophobicContact CG2-CG2 3.95Å; F89-I143 HydrophobicContact CB-CD1 3.88Å; F89-I143 HydrophobicContact CB-CG1 3.53Å; F89-I143 HydrophobicContact CD2-CG1 3.83Å; F89-I143 HydrophobicContact CG-CG1 4.12Å; L90-I143 HydrophobicContact CD2-CD1 4.08Å; L90-I143 HydrophobicContact CG-CD1 4.46Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.17Å; L139-I143 PolarHBondContact O-N 3.36Å; L140-I143 WeakPolarHBondContact O-CB 3.25Å; L140-I143 PolarHBondContact O-N 3.37Å; L140-I143 VanDerWaalsContact O-N 3.15Å; G141-I143 PolarHBondContact O-N 3.06Å; I143-D146 PolarHBondContact O-N 3.2Å; I143-R147 VanDerWaalsContact O-CG 3.24Å; I143-R147 WeakPolarHBondContact O-CG 3.02Å; I143-R147 PolarHBondContact O-N 3.28Å; I143-M262 HydrophobicContact CG2-CE 3.87Å; I143-M262 HydrophobicContact CG2-CG 4.32Å; I143-M262 HydrophobicContact CG2-SD 3.51Å; I143-M262 VanDerWaalsContact CG2-SD 3.51Å
144S85.1Confident84.4Confident0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-77.6-35-178.3-690000113.7L140 G141 C142 R147 Y148 M230 Y234L140-S144 PolarHBondContact O-N 3.45Å; L140-S144 VanDerWaalsContact O-N 3.14Å; G141-S144 PolarHBondContact O-N 3.13Å; G141-S144 VanDerWaalsContact O-N 3.15Å; C142-S144 VanDerWaalsContact C-N 3.27Å; C142-S144 PolarHBondContact O-N 3.33Å; S144-R147 WeakPolarHBondContact O-CB 3.35Å; S144-R147 PolarHBondContact O-N 2.95Å; S144-Y148 PolarHBondContact O-N 2.85Å; S144-M230 VanDerWaalsContact CB-SD 3.55Å; S144-M230 WeakPolarHBondContact OG-CE 3.42Å; S144-M230 PolarHBondContact OG-SD 3.42Å; S144-Y234 PolarHBondContact OG-OH 3.45Å
145I85.8Confident83.2Confident82 Ų8236.7 Ų36.742%0.42119%0.189SC..Hα-helixtrans-61.2-46.4168.6-64168.1000109.9G141 C142 R147 Y148 M149 T229G141-I145 WeakPolarHBondContact O-CG1 3.24Å; G141-I145 PolarHBondContact O-N 2.82Å; G141-I145 VanDerWaalsContact O-N 3.09Å; C142-I145 PolarHBondContact O-N 3Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.05Å; I145-Y148 PolarHBondContact O-N 3.44Å; I145-M149 HydrophobicContact CG2-CG 4.42Å; I145-M149 VanDerWaalsContact O-CG 3.26Å; I145-M149 WeakPolarHBondContact O-CG 3.22Å; I145-M149 PolarHBondContact O-N 3.37Å; I145-T229 HydrophobicContact CD1-CG2 3.99Å; I145-T229 HydrophobicContact CG1-CG2 3.93Å
146D85.3Confident81.9Confident11 Ų1141.6 Ų41.66%0.05921%0.212CC..Hα-helixtrans-57.4-44.1173.3169.157.6000111.6M85 T86 F89 C142 I143 Y148 M149 V150M85-D146 HydrophobicContact CB-CB 4.12Å; M85-D146 WeakPolarHBondContact CB-OD1 3.47Å; M85-D146 WeakPolarHBondContact CG-OD1 3.45Å; T86-D146 PolarHBondContact N-OD2 2.69Å; T86-D146 PolarHBondContact OG1-OD2 2.97Å; F89-D146 HydrophobicContact CE2-CB 4.38Å; C142-D146 WeakPolarHBondContact O-CB 3.35Å; C142-D146 PolarHBondContact O-N 2.94Å; I143-D146 PolarHBondContact O-N 3.2Å; D146-Y148 PolarHBondContact O-N 3.1Å; D146-M149 PolarHBondContact O-N 3.1Å; D146-V150 VanDerWaalsContact O-CG2 3.29Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.32Å
147R83.4Confident80.7Confident39 Ų3943.2 Ų43.215%0.14722%0.22CC..Hα-helixtrans-60.2-44.2175.6-73.6-73.9155-76.16.6113T86 I143 S144 I145 V150 V151 I237 M262T86-R147 VanDerWaalsContact CG2-NH2 3.29Å; T86-R147 VanDerWaalsContact OG1-CZ 3.25Å; T86-R147 PolarHBondContact OG1-NH1 3.12Å; T86-R147 PolarHBondContact OG1-NH2 3.09Å; I143-R147 VanDerWaalsContact O-CG 3.24Å; I143-R147 WeakPolarHBondContact O-CG 3.02Å; I143-R147 PolarHBondContact O-N 3.28Å; S144-R147 WeakPolarHBondContact O-CB 3.35Å; S144-R147 PolarHBondContact O-N 2.95Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.05Å; R147-V150 PolarHBondContact O-N 3.09Å; R147-V151 WeakPolarHBondContact O-CG2 3.44Å; R147-V151 PolarHBondContact O-N 3.17Å; R147-V151 VanDerWaalsContact O-N 3.13Å; R147-I237 HydrophobicContact CB-CD1 4.21Å; R147-M262 HydrophobicContact CG-CG 4.22Å
148Y82.1Confident79.6Confident68 Ų6848.9 Ų48.927%0.26725%0.25SC..Hα-helixtrans-60.8-48.8175.1168.6-102.8000110.9S144 I145 D146 V150 V151 A152 I237S144-Y148 PolarHBondContact O-N 2.85Å; I145-Y148 PolarHBondContact O-N 3.44Å; D146-Y148 PolarHBondContact O-N 3.1Å; Y148-V150 PolarHBondContact O-N 2.82Å; Y148-V151 PolarHBondContact O-N 3.09Å; Y148-V151 VanDerWaalsContact O-N 3.09Å; Y148-A152 HydrophobicContact CD2-CB 4.18Å; Y148-A152 HydrophobicContact CE2-CB 3.75Å; Y148-A152 WeakPolarHBondContact O-CB 3.46Å; Y148-A152 PolarHBondContact O-N 3.38Å; Y148-I237 HydrophobicContact CD2-CG1 4.12Å
149M80.1Confident78.6Confident67 Ų6757.2 Ų57.233%0.3328%0.278SS..Hα-helixtrans-60.9-41.5179.1-66.9-67.1-79.500112.6I145 D146 V151 R153 M157I145-M149 HydrophobicContact CG2-CG 4.42Å; I145-M149 VanDerWaalsContact O-CG 3.26Å; I145-M149 WeakPolarHBondContact O-CG 3.22Å; I145-M149 PolarHBondContact O-N 3.37Å; D146-M149 PolarHBondContact O-N 3.1Å; M149-V151 VanDerWaalsContact C-N 3.32Å; M149-V151 PolarHBondContact O-N 2.94Å; M149-R153 CarbonylContact O-C 3.43Å; M149-R153 WeakPolarHBondContact O-CA 3.41Å; M149-R153 PolarHBondContact O-N 3.35Å; M149-R153 HydrophobicContact SD-CG 4.46Å; M149-M157 HydrophobicContact CB-CE 4.12Å; M149-M157 HydrophobicContact CB-SD 3.87Å; M149-M157 WeakPolarHBondContact O-CG 3.37Å
150V78.8Confident77.9Confident60 Ų6060.3 Ų60.336%0.36430%0.295SS..Hα-helixtrans-61.7-37.2174.3170.40000112.2D146 R147 Y148 A154 M157D146-V150 VanDerWaalsContact O-CG2 3.29Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.32Å; R147-V150 PolarHBondContact O-N 3.09Å; Y148-V150 PolarHBondContact O-N 2.82Å; V150-A154 WeakPolarHBondContact O-CB 3.1Å; V150-M157 HydrophobicContact CB-CE 4.3Å; V150-M157 HydrophobicContact CG2-CE 3.42Å; V150-M157 VanDerWaalsContact CG2-CE 3.42Å
151V75.5Confident77.3Confident15 Ų1566.5 Ų66.59%0.09132%0.317CS..Hα-helixtrans-83.7-50.3-175.21750000111.9R147 Y148 M149 I237 V240 R255R147-V151 WeakPolarHBondContact O-CG2 3.44Å; R147-V151 PolarHBondContact O-N 3.17Å; R147-V151 VanDerWaalsContact O-N 3.13Å; Y148-V151 PolarHBondContact O-N 3.09Å; Y148-V151 VanDerWaalsContact O-N 3.09Å; M149-V151 VanDerWaalsContact C-N 3.32Å; M149-V151 PolarHBondContact O-N 2.94Å; V151-I237 HydrophobicContact CB-CG1 4.37Å; V151-I237 HydrophobicContact CB-CG2 4.42Å; V151-I237 HydrophobicContact CG1-CG2 4.06Å; V151-I237 HydrophobicContact CG2-CG2 4.34Å; V151-V240 HydrophobicContact CG1-CG1 4.04Å; V151-R255 PolarHBondContact O-NH2 3.42Å
152A73.8Confident76.6Confident38 Ų3870.3 Ų70.331%0.31434%0.343SS..Hα-helixtrans-81.7-37.7-175.100000113.4Y148 V240Y148-A152 HydrophobicContact CD2-CB 4.18Å; Y148-A152 HydrophobicContact CE2-CB 3.75Å; Y148-A152 WeakPolarHBondContact O-CB 3.46Å; Y148-A152 PolarHBondContact O-N 3.38Å; A152-V240 HydrophobicContact CB-CG2 4.34Å
153R72.9Confident76.2Confident123 Ų12375 Ų7546%0.46436%0.362SS..SBendtrans-113.332.9-174.1-60.7-171.1-177.4-115.71.1113.5M149 Q155 Q156 M157M149-R153 CarbonylContact O-C 3.43Å; M149-R153 WeakPolarHBondContact O-CA 3.41Å; M149-R153 PolarHBondContact O-N 3.35Å; M149-R153 HydrophobicContact SD-CG 4.46Å; R153-Q155 VanDerWaalsContact C-N 3.27Å; R153-Q155 PolarHBondContact O-N 3.47Å; R153-Q155 VanDerWaalsContact O-N 3.08Å; R153-Q156 HydrophobicContact CB-CB 4.5Å; R153-Q156 PolarHBondContact O-N 2.84Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.27Å; R153-M157 PolarHBondContact O-N 2.82Å
154A70.7Confident75.9Confident38 Ų3876.8 Ų76.831%0.31437%0.371SS..Hα-helixtrans-51.3-36.3-17300000115.4V150 L158V150-A154 WeakPolarHBondContact O-CB 3.1Å; A154-L158 WeakPolarHBondContact O-CG 3.41Å; A154-L158 PolarHBondContact O-N 3.21Å
155Q66.6Low75.8Confident137 Ų13778.7 Ų78.764%0.6438%0.381SS*.Hα-helixtrans-69.7-42.1178.5-70.9-69.8-6.800112.5R153 L158R153-Q155 VanDerWaalsContact C-N 3.27Å; R153-Q155 PolarHBondContact O-N 3.47Å; R153-Q155 VanDerWaalsContact O-N 3.08Å; Q155-L158 PolarHBondContact O-N 3.41Å
156Q65.1Low75.8Confident103 Ų10379 Ų7948%0.48139%0.387SS..Hα-helixtrans-69.6-39.4178.4-165.3171.95.500110.8R153 L158 R159 L160R153-Q156 HydrophobicContact CB-CB 4.5Å; R153-Q156 PolarHBondContact O-N 2.84Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.04Å; Q156-R159 PolarHBondContact O-N 3.36Å; Q156-L160 HydrophobicContact CG-CD1 4.18Å; Q156-L160 PolarHBondContact O-N 3.07Å; Q156-L160 VanDerWaalsContact O-N 3.15Å
157M66.1Low75.9Confident33 Ų3381.2 Ų81.216%0.16341%0.407CS..Hα-helixtrans-59.7-32.8175.9-68.7-75.9-78.900113.8M149 V150 R153 I164M149-M157 HydrophobicContact CB-CE 4.12Å; M149-M157 HydrophobicContact CB-SD 3.87Å; M149-M157 WeakPolarHBondContact O-CG 3.37Å; V150-M157 HydrophobicContact CB-CE 4.3Å; V150-M157 HydrophobicContact CG2-CE 3.42Å; V150-M157 VanDerWaalsContact CG2-CE 3.42Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.27Å; R153-M157 PolarHBondContact O-N 2.82Å; M157-I164 HydrophobicContact CB-CD1 4.43Å; M157-I164 HydrophobicContact SD-CD1 3.68Å
158L66.3Low76.1Confident128 Ų12879.5 Ų79.567%0.6740%0.401SS*.Hα-helixtrans-74.5-34.8177.6-74.9168.8000112.5A154 Q155 Q156A154-L158 WeakPolarHBondContact O-CG 3.41Å; A154-L158 PolarHBondContact O-N 3.21Å; Q155-L158 PolarHBondContact O-N 3.41Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.04Å
159R70.3Confident76.5Confident213 Ų21382 Ų8280%0.80441%0.413SS*.Hα-helixtrans-75.5-41.6-179.6-68.6-177.9-179.2-179.1-0.6112.7Q156Q156-R159 PolarHBondContact O-N 3.36Å
160L76.8Confident77.1Confident65 Ų6582.8 Ų82.834%0.3442%0.422SS..THydrogen-bonded Turntrans-96.723.2-175.1-73.281.3000114Q156 S162 Q163 I164Q156-L160 HydrophobicContact CG-CD1 4.18Å; Q156-L160 PolarHBondContact O-N 3.07Å; Q156-L160 VanDerWaalsContact O-N 3.15Å; L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.25Å; L160-S162 VanDerWaalsContact O-N 3.1Å; L160-Q163 PolarHBondContact O-N 3.48Å; L160-Q163 VanDerWaalsContact O-N 3.11Å; L160-I164 HydrophobicContact CB-CD1 3.91Å; L160-I164 HydrophobicContact CB-CG1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 2.95Å
161R73.1Confident77.8Confident140 Ų14081.5 Ų81.553%0.52842%0.417SS..Hα-helixtrans-55.1-37.1-166.8-172.2178.1-179.4-177.72.1114.9R83 L165R83-R161 PolarHBondContact O-NH2 3.15Å; R161-L165 WeakPolarHBondContact O-CG 3.34Å; R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.12Å
162S74.3Confident78.7Confident87 Ų8780.8 Ų80.861%0.60841%0.413SS*.Hα-helixtrans-71.4-45.9177.849.30000112.4L160 I164 L165 T166L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.25Å; L160-S162 VanDerWaalsContact O-N 3.1Å; S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 3.35Å; S162-L165 PolarHBondContact O-N 2.93Å; S162-T166 PolarHBondContact O-N 3.22Å; S162-T166 VanDerWaalsContact O-N 3.11Å; S162-T166 PolarHBondContact O-OG1 2.91Å
163Q81Confident79.7Confident128 Ų12882.9 Ų82.960%0.59842%0.422SS*.Hα-helixtrans-63.4-41177.2-69.1172.6-46.900111.3L160 T166 A167L160-Q163 PolarHBondContact O-N 3.48Å; L160-Q163 VanDerWaalsContact O-N 3.11Å; Q163-T166 WeakPolarHBondContact O-CB 3.43Å; Q163-T166 PolarHBondContact O-N 3.42Å; Q163-A167 PolarHBondContact O-N 2.9Å
164I81.8Confident80.8Confident37 Ų3780.6 Ų80.619%0.1942%0.421CS..Hα-helixtrans-59-49.8173.2-68.3160.5000109.7M85 M157 L160 S162 T166 A167 G168M85-I164 HydrophobicContact CE-CG2 4.48Å; M85-I164 WeakPolarHBondContact CE-O 3.47Å; M85-I164 HydrophobicContact CG-CG2 3.63Å; M85-I164 HydrophobicContact SD-CG2 3.51Å; M85-I164 VanDerWaalsContact SD-CG2 3.51Å; M157-I164 HydrophobicContact CB-CD1 4.43Å; M157-I164 HydrophobicContact SD-CD1 3.68Å; L160-I164 HydrophobicContact CB-CD1 3.91Å; L160-I164 HydrophobicContact CB-CG1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 2.95Å; S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 3.35Å; I164-T166 PolarHBondContact O-N 2.87Å; I164-A167 WeakPolarHBondContact O-CB 3.32Å; I164-A167 PolarHBondContact O-N 3.49Å; I164-G168 PolarHBondContact O-N 2.89Å; I164-G168 VanDerWaalsContact O-N 3.08Å
165L82.2Confident82Confident40 Ų4079.2 Ų79.221%0.20941%0.409CS..Hα-helixtrans-55.9-33.2176.6-79.5173.8000114M85 R161 S162 K169M85-L165 VanDerWaalsContact CE-CA 3.49Å; M85-L165 HydrophobicContact CE-CD2 4.27Å; R161-L165 WeakPolarHBondContact O-CG 3.34Å; R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.12Å; S162-L165 PolarHBondContact O-N 2.93Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å
166T86.1Confident83.4Confident90 Ų9074.8 Ų74.855%0.55239%0.386SS*.Hα-helixtrans-72.1-46.2171.6-54.10000111.5S162 Q163 I164 G168 K169 V170S162-T166 PolarHBondContact O-N 3.22Å; S162-T166 VanDerWaalsContact O-N 3.11Å; S162-T166 PolarHBondContact O-OG1 2.91Å; Q163-T166 WeakPolarHBondContact O-CB 3.43Å; Q163-T166 PolarHBondContact O-N 3.42Å; I164-T166 PolarHBondContact O-N 2.87Å; T166-G168 VanDerWaalsContact C-N 3.35Å; T166-G168 PolarHBondContact O-N 3.4Å; T166-K169 WeakPolarHBondContact O-CB 3.41Å; T166-K169 PolarHBondContact O-N 3.14Å; T166-K169 VanDerWaalsContact O-N 3.1Å; T166-V170 PolarHBondContact O-N 3.42Å
167A87.4Confident84.8Confident57 Ų5774.3 Ų74.347%0.47139%0.386SS..Hα-helixtrans-57.2-41.5-178.400000113.2Q163 I164 V170 A171Q163-A167 PolarHBondContact O-N 2.9Å; I164-A167 WeakPolarHBondContact O-CB 3.32Å; I164-A167 PolarHBondContact O-N 3.49Å; A167-V170 PolarHBondContact O-N 3.46Å; A167-A171 WeakPolarHBondContact O-CB 3.42Å; A167-A171 PolarHBondContact O-N 3.42Å
168G88.4Confident86.2Confident2 Ų275.4 Ų75.42%0.02139%0.394CS..Hα-helixtrans-78.1-19.7177.100000115.3M85 F89 I164 T166 A172M85-G168 WeakPolarHBondContact SD-CA 3.24Å; M85-G168 PolarHBondContact SD-N 2.88Å; M85-G168 VanDerWaalsContact SD-N 3.41Å; F89-G168 WeakPolarHBondContact CE1-O 3.3Å; I164-G168 PolarHBondContact O-N 2.89Å; I164-G168 VanDerWaalsContact O-N 3.08Å; T166-G168 VanDerWaalsContact C-N 3.35Å; T166-G168 PolarHBondContact O-N 3.4Å; G168-A172 WeakPolarHBondContact O-CB 3.3Å; G168-A172 PolarHBondContact O-N 3.35Å
169K89.8Confident87.5Confident120 Ų12069.3 Ų69.352%0.52236%0.362SS..Hα-helixtrans-67.4-45.7165.1-72.6177.6176.9-173.90110.3V88 L165 T166 A172 V173V88-K169 HydrophobicContact CG1-CG 4.34Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; T166-K169 WeakPolarHBondContact O-CB 3.41Å; T166-K169 PolarHBondContact O-N 3.14Å; T166-K169 VanDerWaalsContact O-N 3.1Å; K169-A172 PolarHBondContact O-N 2.83Å; K169-V173 WeakPolarHBondContact O-CG2 3.3Å; K169-V173 PolarHBondContact O-N 2.81Å
170V92.9Very high88.6Confident85 Ų8563 Ų6352%0.51534%0.344SS..Hα-helixtrans-60-46.5173.7175.90000110.3T166 A167 A172 V173 V174T166-V170 PolarHBondContact O-N 3.42Å; A167-V170 PolarHBondContact O-N 3.46Å; V170-A172 VanDerWaalsContact C-N 3.34Å; V170-A172 PolarHBondContact O-N 2.95Å; V170-V173 PolarHBondContact O-N 3.28Å; V170-V173 VanDerWaalsContact O-N 3.16Å; V170-V174 HydrophobicContact CG1-CG2 4.37Å; V170-V174 WeakPolarHBondContact O-CG2 3.45Å; V170-V174 PolarHBondContact O-N 2.83Å
171A93.3Very high89.3Confident32 Ų3265.3 Ų65.326%0.26436%0.356SS..Hα-helixtrans-60.1-41177.100000112.3F89 A167 V174 V175F89-A171 HydrophobicContact CE1-CB 4.24Å; F89-A171 HydrophobicContact CZ-CB 4.34Å; A167-A171 WeakPolarHBondContact O-CB 3.42Å; A167-A171 PolarHBondContact O-N 3.42Å; A171-V174 PolarHBondContact O-N 2.91Å; A171-V175 VanDerWaalsContact O-CG2 3.32Å; A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 2.79Å
172A93.6Very high90.1Very high0 Ų061.3 Ų61.30%035%0.345CS..Hα-helixtrans-61.8-44.9174.500000111.8V88 F89 H92 G168 K169 V170 V174 V175 W176V88-A172 HydrophobicContact CG1-CB 4.16Å; F89-A172 HydrophobicContact CD1-CB 4.36Å; F89-A172 HydrophobicContact CE1-CB 4.37Å; H92-A172 VanDerWaalsContact CD2-CB 3.46Å; H92-A172 WeakPolarHBondContact CD2-CB 3.29Å; G168-A172 WeakPolarHBondContact O-CB 3.3Å; G168-A172 PolarHBondContact O-N 3.35Å; K169-A172 PolarHBondContact O-N 2.83Å; V170-A172 VanDerWaalsContact C-N 3.34Å; V170-A172 PolarHBondContact O-N 2.95Å; A172-V174 PolarHBondContact O-N 3.35Å; A172-V175 PolarHBondContact O-N 3.17Å; A172-W176 VanDerWaalsContact O-CD1 3.22Å; A172-W176 PolarHBondContact O-N 3.43Å
173V95.1Very high90.8Very high82 Ų8257.1 Ų57.150%0.49732%0.316SS..Hα-helixtrans-60.8-43.4175.2173.20000111.5K169 V170 V175 W176 I177K169-V173 WeakPolarHBondContact O-CG2 3.3Å; K169-V173 PolarHBondContact O-N 2.81Å; V170-V173 PolarHBondContact O-N 3.28Å; V170-V173 VanDerWaalsContact O-N 3.16Å; V173-V175 VanDerWaalsContact C-N 3.33Å; V173-V175 PolarHBondContact O-N 2.87Å; V173-W176 PolarHBondContact O-N 3.45Å; V173-I177 HydrophobicContact CG1-CD1 3.95Å; V173-I177 WeakPolarHBondContact O-CG1 3.48Å; V173-I177 PolarHBondContact O-N 2.82Å
174V95.6Very high91Very high75 Ų7553.3 Ų53.346%0.45530%0.303SS..Hα-helixtrans-59.9-42.5174.4170.80000111V170 A171 A172 W176 I177 V178V170-V174 HydrophobicContact CG1-CG2 4.37Å; V170-V174 WeakPolarHBondContact O-CG2 3.45Å; V170-V174 PolarHBondContact O-N 2.83Å; A171-V174 PolarHBondContact O-N 2.91Å; A172-V174 PolarHBondContact O-N 3.35Å; V174-W176 VanDerWaalsContact C-N 3.35Å; V174-W176 PolarHBondContact O-N 3.11Å; V174-I177 PolarHBondContact O-N 3.17Å; V174-V178 HydrophobicContact CG1-CG2 4.19Å; V174-V178 WeakPolarHBondContact O-CB 3.36Å; V174-V178 VanDerWaalsContact O-CG2 3.3Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.2Å
175V95.6Very high91Very high10 Ų1053.2 Ų53.26%0.06131%0.305CS..Hα-helixtrans-61.6-40.5176167.50000111.9L138 L139 A171 A172 V173 A179L138-V175 HydrophobicContact CB-CB 4.36Å; L138-V175 HydrophobicContact CB-CG1 3.55Å; L138-V175 HydrophobicContact CB-CG2 3.92Å; L138-V175 HydrophobicContact CD1-CG1 4.15Å; L139-V175 HydrophobicContact CD2-CG1 4.22Å; L139-V175 HydrophobicContact CG-CG1 3.97Å; A171-V175 VanDerWaalsContact O-CG2 3.32Å; A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 2.79Å; A172-V175 PolarHBondContact O-N 3.17Å; V173-V175 VanDerWaalsContact C-N 3.33Å; V173-V175 PolarHBondContact O-N 2.87Å; V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 2.82Å
176W96.4Very high90.9Very high44 Ų4452.2 Ų52.217%0.16730%0.299CS..Hα-helixtrans-63.1-46173.9-81.796.1000112.3H92 L95 A96 L99 I131 A172 V173 V174 A179 I180H92-W176 AromaticContact CG-NE1 3.69Å; H92-W176 AromaticContact ND1-CD1 3.85Å; H92-W176 AromaticContact ND1-NE1 3.14Å; H92-W176 PolarHBondContact ND1-NE1 2.92Å; H92-W176 VanDerWaalsContact ND1-NE1 3.14Å; L95-W176 HydrophobicContact CD2-CZ2 4.38Å; A96-W176 HydrophobicContact CB-CH2 3.85Å; A96-W176 HydrophobicContact CB-CZ2 3.97Å; L99-W176 HydrophobicContact CD1-CH2 4Å; L99-W176 HydrophobicContact CD1-CZ3 4.45Å; I131-W176 HydrophobicContact CG2-CE3 4.09Å; I131-W176 HydrophobicContact CG2-CZ3 3.67Å; A172-W176 VanDerWaalsContact O-CD1 3.22Å; A172-W176 PolarHBondContact O-N 3.43Å; V173-W176 PolarHBondContact O-N 3.45Å; V174-W176 VanDerWaalsContact C-N 3.35Å; V174-W176 PolarHBondContact O-N 3.11Å; W176-A179 PolarHBondContact O-N 3.33Å; W176-I180 WeakPolarHBondContact O-CB 3.22Å; W176-I180 WeakPolarHBondContact O-CD1 3.5Å; W176-I180 VanDerWaalsContact O-CG1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.12Å; W176-I180 PolarHBondContact O-N 3.45Å
177I96.1Very high90.8Very high93 Ų9350.7 Ų50.748%0.47729%0.287SS..Hα-helixtrans-60.3-49.2177.6-66.4165.7000110.4V173 V174 A179 I180 L181V173-I177 HydrophobicContact CG1-CD1 3.95Å; V173-I177 WeakPolarHBondContact O-CG1 3.48Å; V173-I177 PolarHBondContact O-N 2.82Å; V174-I177 PolarHBondContact O-N 3.17Å; I177-A179 PolarHBondContact O-N 2.94Å; I177-I180 PolarHBondContact O-N 2.89Å; I177-L181 HydrophobicContact CG2-CD1 3.85Å; I177-L181 HydrophobicContact CG2-CG 4.4Å; I177-L181 WeakPolarHBondContact O-CB 3.47Å; I177-L181 VanDerWaalsContact O-CG 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 3.24Å
178V94.4Very high90.7Very high55 Ų5553.8 Ų53.833%0.33330%0.295SS..Hα-helixtrans-63-42.4179172.70000111.3L138 V174 I180 L181 L182L138-V178 HydrophobicContact CD1-CB 4.26Å; L138-V178 HydrophobicContact CD1-CG1 3.79Å; V174-V178 HydrophobicContact CG1-CG2 4.19Å; V174-V178 WeakPolarHBondContact O-CB 3.36Å; V174-V178 VanDerWaalsContact O-CG2 3.3Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.2Å; V178-I180 PolarHBondContact O-N 3.12Å; V178-L181 PolarHBondContact O-N 2.96Å; V178-L182 HydrophobicContact CG1-CD1 3.71Å; V178-L182 HydrophobicContact CG1-CG 4.28Å; V178-L182 WeakPolarHBondContact O-CB 3.43Å; V178-L182 VanDerWaalsContact O-CG 3.25Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.42Å
179A94.3Very high90.4Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-63.2-40.6177.100000112.5V175 W176 I177 S183V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 2.82Å; W176-A179 PolarHBondContact O-N 3.33Å; I177-A179 PolarHBondContact O-N 2.94Å; A179-S183 VanDerWaalsContact O-CB 3.32Å; A179-S183 WeakPolarHBondContact O-CB 3.06Å; A179-S183 PolarHBondContact O-N 3.5Å; A179-S183 PolarHBondContact O-OG 3.38Å
180I93.3Very high90.1Very high82 Ų8251.8 Ų51.842%0.42129%0.285SS..Hα-helixtrans-67-43.8176.1-68.1164.2000110.8I131 W176 I177 V178 S183 S184I131-I180 HydrophobicContact CD1-CG1 4.05Å; I131-I180 HydrophobicContact CG1-CG1 4.25Å; W176-I180 WeakPolarHBondContact O-CB 3.22Å; W176-I180 WeakPolarHBondContact O-CD1 3.5Å; W176-I180 VanDerWaalsContact O-CG1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.12Å; W176-I180 PolarHBondContact O-N 3.45Å; I177-I180 PolarHBondContact O-N 2.89Å; V178-I180 PolarHBondContact O-N 3.12Å; I180-S183 CarbonylContact O-C 3.51Å; I180-S183 PolarHBondContact O-N 3.26Å; I180-S183 VanDerWaalsContact O-N 3.15Å; I180-S184 PolarHBondContact O-N 2.64Å; I180-S184 VanDerWaalsContact O-N 3.09Å
181L91.7Very high89.7Confident113 Ų11347.9 Ų47.959%0.59226%0.262SS*.Hα-helixtrans-61.3-44.5176.6-71.9171.3000112I177 V178 S183 S184I177-L181 HydrophobicContact CG2-CD1 3.85Å; I177-L181 HydrophobicContact CG2-CG 4.4Å; I177-L181 WeakPolarHBondContact O-CB 3.47Å; I177-L181 VanDerWaalsContact O-CG 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 3.24Å; V178-L181 PolarHBondContact O-N 2.96Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.41Å; L181-S184 VanDerWaalsContact O-CB 3.25Å; L181-S184 WeakPolarHBondContact O-CB 3.25Å; L181-S184 PolarHBondContact O-N 3.25Å; L181-S184 VanDerWaalsContact O-N 3.13Å; L181-S184 PolarHBondContact O-OG 3.39Å
182L88.2Confident89.3Confident55 Ų5547.8 Ų47.829%0.28826%0.258SS..Hα-helixtrans-67.4-26.6175.1-69.2169.3000113Y134 V178 S184 P185 V222Y134-L182 HydrophobicContact CD1-CB 4.07Å; Y134-L182 HydrophobicContact CD1-CD1 3.92Å; Y134-L182 HydrophobicContact CD2-CB 3.82Å; Y134-L182 HydrophobicContact CE1-CB 4.06Å; Y134-L182 HydrophobicContact CE1-CD1 4.31Å; Y134-L182 HydrophobicContact CE2-CB 3.81Å; Y134-L182 WeakPolarHBondContact CE2-O 3.16Å; Y134-L182 HydrophobicContact CG-CB 3.95Å; Y134-L182 HydrophobicContact CG-CD1 4.24Å; V178-L182 HydrophobicContact CG1-CD1 3.71Å; V178-L182 HydrophobicContact CG1-CG 4.28Å; V178-L182 WeakPolarHBondContact O-CB 3.43Å; V178-L182 VanDerWaalsContact O-CG 3.25Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.42Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-P185 WeakPolarHBondContact O-CD 3.47Å; L182-V222 HydrophobicContact CD1-CG2 3.85Å
183S89.3Confident88.8Confident0 Ų050.1 Ų50.10%027%0.274CS..THydrogen-bonded Turntrans-81.1-7.1173.5-54.40000113.3A130 I131 Y134 A179 I180 L181 P185 E186 I187A130-S183 WeakPolarHBondContact CB-OG 3.3Å; I131-S183 WeakPolarHBondContact CA-OG 3.04Å; I131-S183 WeakPolarHBondContact CG1-OG 3.47Å; I131-S183 PolarHBondContact N-OG 3.46Å; Y134-S183 WeakPolarHBondContact CD2-OG 3.43Å; A179-S183 VanDerWaalsContact O-CB 3.32Å; A179-S183 WeakPolarHBondContact O-CB 3.06Å; A179-S183 PolarHBondContact O-N 3.5Å; A179-S183 PolarHBondContact O-OG 3.38Å; I180-S183 CarbonylContact O-C 3.51Å; I180-S183 PolarHBondContact O-N 3.26Å; I180-S183 VanDerWaalsContact O-N 3.15Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.41Å; S183-P185 VanDerWaalsContact C-CD 3.41Å; S183-E186 WeakPolarHBondContact O-CB 3.45Å; S183-E186 PolarHBondContact O-N 2.89Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S183-I187 VanDerWaalsContact O-CG1 3.31Å; S183-I187 WeakPolarHBondContact O-CG1 3.35Å; S183-I187 PolarHBondContact O-N 2.95Å
184S85.4Confident88.2Confident48 Ų4851.5 Ų51.534%0.33628%0.275SS..Hα-helixtrans-58.5-35.7-175.565.10000115.2I180 L181 L182 E186 I187 L188I180-S184 PolarHBondContact O-N 2.64Å; I180-S184 VanDerWaalsContact O-N 3.09Å; L181-S184 VanDerWaalsContact O-CB 3.25Å; L181-S184 WeakPolarHBondContact O-CB 3.25Å; L181-S184 PolarHBondContact O-N 3.25Å; L181-S184 VanDerWaalsContact O-N 3.13Å; L181-S184 PolarHBondContact O-OG 3.39Å; L182-S184 VanDerWaalsContact C-N 3.3Å; S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 2.92Å; S184-I187 PolarHBondContact O-N 3.01Å; S184-L188 VanDerWaalsContact O-CB 3.31Å; S184-L188 WeakPolarHBondContact O-CB 3.45Å; S184-L188 WeakPolarHBondContact O-CG 3.14Å; S184-L188 PolarHBondContact O-N 3.02Å
185P82.4Confident87.2Confident34 Ų3448.3 Ų48.322%0.22126%0.256CS..Hα-helixtrans-63.7-43.1174.8-19.233.3000111.4L182 S183 I187 L188 Y189 V211L182-P185 WeakPolarHBondContact O-CD 3.47Å; S183-P185 VanDerWaalsContact C-CD 3.41Å; P185-I187 VanDerWaalsContact C-N 3.33Å; P185-I187 PolarHBondContact O-N 2.82Å; P185-L188 PolarHBondContact O-N 3.16Å; P185-Y189 HydrophobicContact CB-CD2 4.22Å; P185-Y189 HydrophobicContact CB-CE2 4.44Å; P185-Y189 WeakPolarHBondContact O-CB 3.32Å; P185-Y189 WeakPolarHBondContact O-CD2 3.39Å; P185-Y189 PolarHBondContact O-N 3.19Å; P185-V211 HydrophobicContact CB-CG1 4.39Å
186E80.6Confident85.9Confident20 Ų2057.6 Ų57.69%0.09330%0.299CS..Hα-helixtrans-63-39.8177.6-164.572.5-170.500111.4R126 A130 S183 S184 S190R126-E186 HydrophobicContact CB-CG 4Å; R126-E186 IonicContact CZ-OE1 3.44Å; R126-E186 IonicContact NE-OE1 3.3Å; R126-E186 PolarHBondContact NE-OE1 2.71Å; R126-E186 IonicContact NH2-OE1 3.11Å; R126-E186 PolarHBondContact NH2-OE1 3.35Å; R126-E186 IonicContact NH2-OE2 2.94Å; A130-E186 HydrophobicContact CB-CB 4.1Å; A130-E186 HydrophobicContact CB-CG 4.02Å; S183-E186 WeakPolarHBondContact O-CB 3.45Å; S183-E186 PolarHBondContact O-N 2.89Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 2.92Å; E186-S190 WeakPolarHBondContact O-CB 3.39Å; E186-S190 PolarHBondContact O-N 3.05Å; E186-S190 VanDerWaalsContact O-N 3.15Å; E186-S190 PolarHBondContact O-OG 3.31Å
187I84.1Confident84.5Confident57 Ų5760 Ų6029%0.29232%0.323SS..Hα-helixtrans-69.8-42.2179-65.6161.2000111.9A127 S183 S184 P185 S190A127-I187 HydrophobicContact CB-CD1 4.33Å; A127-I187 HydrophobicContact CB-CG1 3.64Å; S183-I187 VanDerWaalsContact O-CG1 3.31Å; S183-I187 WeakPolarHBondContact O-CG1 3.35Å; S183-I187 PolarHBondContact O-N 2.95Å; S184-I187 PolarHBondContact O-N 3.01Å; P185-I187 VanDerWaalsContact C-N 3.33Å; P185-I187 PolarHBondContact O-N 2.82Å; I187-S190 PolarHBondContact O-OG 3.25Å
188L83.7Confident83.4Confident122 Ų12258.6 Ų58.664%0.63932%0.316SS*.Hα-helixtrans-82-26.8-173.5-69.1171.4000113.6S184 P185S184-L188 VanDerWaalsContact O-CB 3.31Å; S184-L188 WeakPolarHBondContact O-CB 3.45Å; S184-L188 WeakPolarHBondContact O-CG 3.14Å; S184-L188 PolarHBondContact O-N 3.02Å; P185-L188 PolarHBondContact O-N 3.16Å
189Y82.7Confident82.5Confident74 Ų7458.3 Ų58.329%0.2932%0.324SS..Hα-helixtrans-115.21.2-174.4-53.2-53.3000113.8P185 M205 Q206 K207 V211P185-Y189 HydrophobicContact CB-CD2 4.22Å; P185-Y189 HydrophobicContact CB-CE2 4.44Å; P185-Y189 WeakPolarHBondContact O-CB 3.32Å; P185-Y189 WeakPolarHBondContact O-CD2 3.39Å; P185-Y189 PolarHBondContact O-N 3.19Å; Y189-M205 CarbonylContact O-C 3.59Å; Y189-M205 VanDerWaalsContact O-CA 3.31Å; Y189-M205 WeakPolarHBondContact O-CA 3.19Å; Y189-Q206 PolarHBondContact O-N 3.22Å; Y189-K207 HydrophobicContact CD1-CB 4.09Å; Y189-K207 HydrophobicContact CD1-CD 3.42Å; Y189-K207 VanDerWaalsContact CD1-CD 3.42Å; Y189-K207 HydrophobicContact CD1-CG 4.4Å; Y189-K207 HydrophobicContact CD2-CD 4.25Å; Y189-K207 HydrophobicContact CE1-CD 3.26Å; Y189-K207 HydrophobicContact CE2-CD 4.11Å; Y189-K207 HydrophobicContact CG-CB 4Å; Y189-K207 HydrophobicContact CG-CD 3.92Å; Y189-K207 PolarHBondContact OH-NZ 3.05Å; Y189-V211 HydrophobicContact CD2-CG1 3.51Å; Y189-V211 HydrophobicContact CE2-CG1 3.91Å; Y189-V211 HydrophobicContact CG-CG1 4.37Å
190S82.9Confident81.8Confident7 Ų762.4 Ų62.45%0.04934%0.342CS..EExtended strand (participates in β ladder)trans-69.4140.616544.50000111.1N123 E186 I187N123-S190 WeakPolarHBondContact CA-OG 3.49Å; N123-S190 VanDerWaalsContact CG-OG 3.29Å; N123-S190 PolarHBondContact ND2-O 3.41Å; N123-S190 PolarHBondContact ND2-OG 3.34Å; N123-S190 PolarHBondContact OD1-O 3.29Å; E186-S190 WeakPolarHBondContact O-CB 3.39Å; E186-S190 PolarHBondContact O-N 3.05Å; E186-S190 VanDerWaalsContact O-N 3.15Å; E186-S190 PolarHBondContact O-OG 3.31Å; I187-S190 PolarHBondContact O-OG 3.25Å
191G84.7Confident81.4Confident2 Ų263 Ų632%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-167.8-172.2176.500000111.5C122 C203 V204C122-G191 PolarHBondContact SG-O 3.15Å; G191-C203 CarbonylContact O-C 3.58Å; G191-V204 PolarHBondContact N-O 2.95Å; G191-V204 PolarHBondContact O-N 3.43Å
192V85.5Confident80.9Confident30 Ų3059.5 Ų59.518%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-109124.8179.2-178.10000108.3W115 V119 C122 K201 Y202 Q206W115-V192 HydrophobicContact CG-CG2 4.23Å; V119-V192 HydrophobicContact CB-CG2 4.31Å; V119-V192 HydrophobicContact CG1-CG2 4.44Å; V119-V192 HydrophobicContact CG2-CB 4.28Å; V119-V192 HydrophobicContact CG2-CG2 3.89Å; C122-V192 HydrophobicContact CB-CG2 4.18Å; V192-K201 HydrophobicContact CG1-CB 3.68Å; V192-K201 HydrophobicContact CG1-CD 4.33Å; V192-K201 HydrophobicContact CG1-CG 4.01Å; V192-Y202 WeakPolarHBondContact CA-O 3.03Å; V192-Q206 PolarHBondContact O-NE2 3.13Å
193S82.9Confident80.7Confident49 Ų4957.2 Ų57.234%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-107.6153.5168.5-162.60000109.5K201 Y202S193-K201 CarbonylContact O-C 3.5Å; S193-K201 WeakPolarHBondContact O-CA 3.37Å; S193-Y202 PolarHBondContact N-O 2.87Å; S193-Y202 PolarHBondContact O-N 2.92Å
194E81.6Confident80.3Confident111 Ų11158.4 Ų58.452%0.51932%0.316SS..EExtended strand (participates in β ladder)trans-109.8129.1176.8-167162.6167.500108.1K201E194-K201 HydrophobicContact CB-CG 4.24Å; E194-K201 HydrophobicContact CG-CG 4.12Å; E194-K201 WeakPolarHBondContact OE2-CE 3.19Å; E194-K201 IonicContact OE2-NZ 3.12Å; E194-K201 PolarHBondContact OE2-NZ 3.3Å; E194-K201 VanDerWaalsContact OE2-NZ 3.11Å
195S74.6Confident79.9Confident8 Ų856.8 Ų56.86%0.05630%0.303CS..  trans-82.8123.6179.8-175.50000110.1S197 G199 K200S195-S197 PolarHBondContact O-N 2.89Å; S195-S197 PolarHBondContact OG-N 3.4Å; S195-S197 PolarHBondContact OG-OG 3.47Å; S195-G199 WeakPolarHBondContact O-CA 3.31Å; S195-G199 PolarHBondContact O-N 2.92Å; S195-K200 PolarHBondContact N-O 3.21Å
196E69.3Low79.4Confident206 Ų20661.3 Ų61.396%0.96332%0.322SS*.THydrogen-bonded Turntrans-63.7-23176.8-59.4-167152.800112.8
197S67.5Low78.8Confident95 Ų9564.7 Ų64.766%0.66434%0.336SS*.THydrogen-bonded Turntrans-79.9-26.7-175.862.50000114.9S195S195-S197 PolarHBondContact O-N 2.89Å; S195-S197 PolarHBondContact OG-N 3.4Å; S195-S197 PolarHBondContact OG-OG 3.47Å
198D72.4Confident78Confident63 Ų6365 Ų6534%0.33734%0.343SS..THydrogen-bonded Turntrans-139.91.5-176.385.2-17.6000115.4K200 Y202D198-K200 PolarHBondContact O-N 2.91Å; D198-K200 VanDerWaalsContact OD1-CB 3.26Å; D198-K200 WeakPolarHBondContact OD1-CB 3.34Å; D198-K200 PolarHBondContact OD1-N 2.95Å; D198-K200 WeakPolarHBondContact OD2-CD 3.32Å; D198-K200 WeakPolarHBondContact OD2-CG 3.49Å; D198-K200 IonicContact OD2-NZ 2.71Å; D198-K200 PolarHBondContact OD2-NZ 3.06Å; D198-Y202 PolarHBondContact OD2-OH 3.44Å
199G75.4Confident77.1Confident48 Ų4859.9 Ų59.950%0.49532%0.32SS..  trans66.39.2-179.800000114.5S195S195-G199 WeakPolarHBondContact O-CA 3.31Å; S195-G199 PolarHBondContact O-N 2.92Å
200K79.1Confident76.6Confident87 Ų8761.9 Ų61.938%0.37833%0.332SS..  trans-85.8153.2176.5-63.3-165.7-162.782.40111.4S195 D198 Y202S195-K200 PolarHBondContact N-O 3.21Å; D198-K200 PolarHBondContact O-N 2.91Å; D198-K200 VanDerWaalsContact OD1-CB 3.26Å; D198-K200 WeakPolarHBondContact OD1-CB 3.34Å; D198-K200 PolarHBondContact OD1-N 2.95Å; D198-K200 WeakPolarHBondContact OD2-CD 3.32Å; D198-K200 WeakPolarHBondContact OD2-CG 3.49Å; D198-K200 IonicContact OD2-NZ 2.71Å; D198-K200 PolarHBondContact OD2-NZ 3.06Å; K200-Y202 HydrophobicContact CB-CE2 3.73Å; K200-Y202 WeakPolarHBondContact O-CD2 3.38Å; K200-Y202 WeakPolarHBondContact O-CE2 3.39Å
201K84.8Confident76Confident94 Ų9462.6 Ų62.641%0.40934%0.336SS..EExtended strand (participates in β ladder)trans-94.1143.4176.3-75.8170.1-176.4177.80110.4W115 V192 S193 E194W115-K201 HydrophobicContact CB-CB 4.15Å; W115-K201 WeakPolarHBondContact CB-O 3.32Å; W115-K201 PolarHBondContact N-O 2.03Å; W115-K201 VanDerWaalsContact O-CB 3.32Å; W115-K201 WeakPolarHBondContact O-CB 3.42Å; V192-K201 HydrophobicContact CG1-CB 3.68Å; V192-K201 HydrophobicContact CG1-CD 4.33Å; V192-K201 HydrophobicContact CG1-CG 4.01Å; S193-K201 CarbonylContact O-C 3.5Å; S193-K201 WeakPolarHBondContact O-CA 3.37Å; E194-K201 HydrophobicContact CB-CG 4.24Å; E194-K201 HydrophobicContact CG-CG 4.12Å; E194-K201 WeakPolarHBondContact OE2-CE 3.19Å; E194-K201 IonicContact OE2-NZ 3.12Å; E194-K201 PolarHBondContact OE2-NZ 3.3Å; E194-K201 VanDerWaalsContact OE2-NZ 3.11Å
202Y82.4Confident75.3Confident39 Ų3964.9 Ų64.915%0.15335%0.345CS..EExtended strand (participates in β ladder)trans-132.7134.3-175.9-67-90.1000110.6F37 Y110 V192 S193 D198 K200 V204F37-Y202 HydrophobicContact CD1-CE1 4.44Å; F37-Y202 AromaticContact CE1-CD1 3.74Å; F37-Y202 HydrophobicContact CE1-CD1 3.74Å; F37-Y202 AromaticContact CE1-CD2 3.86Å; F37-Y202 HydrophobicContact CE1-CD2 3.86Å; F37-Y202 AromaticContact CE1-CE1 3.76Å; F37-Y202 HydrophobicContact CE1-CE1 3.76Å; F37-Y202 AromaticContact CE1-CE2 3.9Å; F37-Y202 HydrophobicContact CE1-CE2 3.9Å; F37-Y202 AromaticContact CE1-CG 3.78Å; F37-Y202 HydrophobicContact CE1-CG 3.78Å; F37-Y202 AromaticContact CE1-CZ 3.84Å; F37-Y202 HydrophobicContact CZ-CD1 4.32Å; F37-Y202 AromaticContact CZ-CD2 3.82Å; F37-Y202 HydrophobicContact CZ-CD2 3.82Å; F37-Y202 HydrophobicContact CZ-CE2 4.2Å; F37-Y202 AromaticContact CZ-CG 3.9Å; F37-Y202 HydrophobicContact CZ-CG 3.9Å; Y110-Y202 HydrophobicContact CE2-CD1 4.3Å; V192-Y202 WeakPolarHBondContact CA-O 3.03Å; S193-Y202 PolarHBondContact N-O 2.87Å; S193-Y202 PolarHBondContact O-N 2.92Å; D198-Y202 PolarHBondContact OD2-OH 3.44Å; K200-Y202 HydrophobicContact CB-CE2 3.73Å; K200-Y202 WeakPolarHBondContact O-CD2 3.38Å; K200-Y202 WeakPolarHBondContact O-CE2 3.39Å; Y202-V204 PolarHBondContact O-N 3.22Å
203C84.4Confident74.7Confident7 Ų769.5 Ų69.55%0.04737%0.366CS..EExtended strand (participates in β ladder)trans-86.388.6179174.40000109.9W115 C122 M125 R126 G191W115-C203 HydrophobicContact CB-CB 4.47Å; W115-C203 HydrophobicContact CD2-CB 3.7Å; W115-C203 HydrophobicContact CE3-CB 3.63Å; W115-C203 HydrophobicContact CG-CB 4.04Å; W115-C203 HydrophobicContact CZ3-CB 4.28Å; C122-C203 WeakPolarHBondContact CA-SG 3.44Å; C122-C203 HydrophobicContact CB-CB 3.9Å; C122-C203 WeakPolarHBondContact CB-SG 3.29Å; C122-C203 WeakPolarHBondContact SG-CA 3.19Å; C122-C203 WeakPolarHBondContact SG-CB 3.36Å; C122-C203 CovalentContact SG-SG 2.03Å; C122-C203 PolarHBondContact SG-SG 3.42Å; M125-C203 HydrophobicContact CE-CB 4.38Å; R126-C203 VanDerWaalsContact CD-SG 3.51Å; R126-C203 PolarHBondContact NH1-O 2.94Å; G191-C203 CarbonylContact O-C 3.58Å
204V80.4Confident74.4Confident25 Ų2571.5 Ų71.515%0.15238%0.377CS..EExtended strand (participates in β ladder)trans-116.3167-170.4-63.60000112.1G191 Y202 Q206G191-V204 PolarHBondContact N-O 2.95Å; G191-V204 PolarHBondContact O-N 3.43Å; Y202-V204 PolarHBondContact O-N 3.22Å; V204-Q206 HydrophobicContact CG2-CG 4.49Å
205M76.4Confident74Confident14 Ų1466.6 Ų66.67%0.06935%0.354CS..EExtended strand (participates in β ladder)trans-89.3112.3166.6-177.5148.170.500108.5Y189 K207 V211 K212Y189-M205 CarbonylContact O-C 3.59Å; Y189-M205 VanDerWaalsContact O-CA 3.31Å; Y189-M205 WeakPolarHBondContact O-CA 3.19Å; M205-K207 VanDerWaalsContact C-N 3.28Å; M205-K207 PolarHBondContact O-N 2.98Å; M205-V211 HydrophobicContact CE-CG1 4.19Å; M205-V211 HydrophobicContact SD-CG1 4.13Å; M205-K212 HydrophobicContact CE-CB 4.28Å; M205-K212 HydrophobicContact CE-CG 4.01Å; M205-K212 WeakPolarHBondContact O-CE 3.05Å
206Q71.9Confident74Confident129 Ų12966.8 Ų66.860%0.60336%0.355SS*.  trans-77.8-2.1-167.8-67.7-175.2-14.100114.7Y189 V192 V204Y189-Q206 PolarHBondContact O-N 3.22Å; V192-Q206 PolarHBondContact O-NE2 3.13Å; V204-Q206 HydrophobicContact CG2-CG 4.49Å
207K67.4Low74.4Confident92 Ų9258.9 Ų58.940%0.433%0.328SS..SBendtrans-108.1149.3-174-161163.4178.2171.50112.3Y189 M205 V211Y189-K207 HydrophobicContact CD1-CB 4.09Å; Y189-K207 HydrophobicContact CD1-CD 3.42Å; Y189-K207 VanDerWaalsContact CD1-CD 3.42Å; Y189-K207 HydrophobicContact CD1-CG 4.4Å; Y189-K207 HydrophobicContact CD2-CD 4.25Å; Y189-K207 HydrophobicContact CE1-CD 3.26Å; Y189-K207 HydrophobicContact CE2-CD 4.11Å; Y189-K207 HydrophobicContact CG-CB 4Å; Y189-K207 HydrophobicContact CG-CD 3.92Å; Y189-K207 PolarHBondContact OH-NZ 3.05Å; M205-K207 VanDerWaalsContact C-N 3.28Å; M205-K207 PolarHBondContact O-N 2.98Å; K207-V211 HydrophobicContact CB-CB 4.42Å; K207-V211 HydrophobicContact CB-CG2 4.31Å; K207-V211 HydrophobicContact CD-CG2 4.02Å; K207-V211 HydrophobicContact CG-CG2 3.88Å
208S67.7Low75.1Confident62 Ų6255.9 Ų55.943%0.43431%0.309SS..  trans-27.5148.7-179.2170.90000116.9H210 V211 K212S208-H210 PolarHBondContact O-N 2.89Å; S208-V211 WeakPolarHBondContact O-CB 3.29Å; S208-V211 PolarHBondContact O-N 3.24Å; S208-K212 PolarHBondContact O-N 3.32Å
209G66.1Low75.4Confident16 Ų1653.8 Ų53.817%0.16530%0.298CS..Hα-helixtrans-46-34.317700000115.1V211 K212 M213G209-V211 VanDerWaalsContact C-N 3.32Å; G209-V211 PolarHBondContact O-N 3.48Å; G209-K212 PolarHBondContact O-N 2.89Å; G209-M213 WeakPolarHBondContact O-CB 3.49Å; G209-M213 PolarHBondContact O-N 3.03Å
210H70.6Confident75.7Confident116 Ų11655 Ų5554%0.53729%0.292SS..Hα-helixtrans-59.9-37.3173.8-72.8-73.9000113.4S208 M213 T214S208-H210 PolarHBondContact O-N 2.89Å; H210-M213 PolarHBondContact O-N 2.96Å; H210-T214 WeakPolarHBondContact O-CB 3.09Å; H210-T214 WeakPolarHBondContact O-CG2 3.46Å; H210-T214 PolarHBondContact O-N 3.33Å; H210-T214 PolarHBondContact O-OG1 2.98Å
211V71.1Confident75.8Confident22 Ų2252.3 Ų52.313%0.13329%0.29CS..Hα-helixtrans-72.7-42.7177.1-1780000110.6P185 Y189 M205 K207 S208 G209 M213 T214 T215P185-V211 HydrophobicContact CB-CG1 4.39Å; Y189-V211 HydrophobicContact CD2-CG1 3.51Å; Y189-V211 HydrophobicContact CE2-CG1 3.91Å; Y189-V211 HydrophobicContact CG-CG1 4.37Å; M205-V211 HydrophobicContact CE-CG1 4.19Å; M205-V211 HydrophobicContact SD-CG1 4.13Å; K207-V211 HydrophobicContact CB-CB 4.42Å; K207-V211 HydrophobicContact CB-CG2 4.31Å; K207-V211 HydrophobicContact CD-CG2 4.02Å; K207-V211 HydrophobicContact CG-CG2 3.88Å; S208-V211 WeakPolarHBondContact O-CB 3.29Å; S208-V211 PolarHBondContact O-N 3.24Å; G209-V211 VanDerWaalsContact C-N 3.32Å; G209-V211 PolarHBondContact O-N 3.48Å; V211-M213 VanDerWaalsContact C-N 3.3Å; V211-M213 PolarHBondContact O-N 3.21Å; V211-T214 WeakPolarHBondContact CA-OG1 3.48Å; V211-T214 PolarHBondContact O-N 2.97Å; V211-T214 PolarHBondContact O-OG1 2.85Å; V211-T214 VanDerWaalsContact O-OG1 3.09Å; V211-T215 WeakPolarHBondContact O-CB 3.33Å; V211-T215 PolarHBondContact O-N 2.79Å; V211-T215 PolarHBondContact O-OG1 3.32Å
212K70.7Confident75.7Confident49 Ų4948.9 Ų48.921%0.21328%0.277CS..Hα-helixtrans-55.1-47171.5-61.2179.4179.5174.40110D35 M205 S208 G209 N216 I284D35-K212 IonicContact OD1-NZ 2.69Å; D35-K212 PolarHBondContact OD1-NZ 2.74Å; D35-K212 IonicContact OD2-NZ 2.65Å; M205-K212 HydrophobicContact CE-CB 4.28Å; M205-K212 HydrophobicContact CE-CG 4.01Å; M205-K212 WeakPolarHBondContact O-CE 3.05Å; S208-K212 PolarHBondContact O-N 3.32Å; G209-K212 PolarHBondContact O-N 2.89Å; K212-N216 PolarHBondContact O-N 3.38Å; K212-I284 HydrophobicContact CB-CD1 3.88Å; K212-I284 HydrophobicContact CB-CG1 4.04Å; K212-I284 HydrophobicContact CB-CG2 4.12Å
213M72.4Confident75.6Confident127 Ų12748.2 Ų48.263%0.62628%0.275SS*.Hα-helixtrans-67.9-45.3-179.9-168.7-178-169.900113.7G209 H210 V211 N216 G217 I284G209-M213 WeakPolarHBondContact O-CB 3.49Å; G209-M213 PolarHBondContact O-N 3.03Å; H210-M213 PolarHBondContact O-N 2.96Å; V211-M213 VanDerWaalsContact C-N 3.3Å; V211-M213 PolarHBondContact O-N 3.21Å; M213-N216 PolarHBondContact O-N 3.1Å; M213-G217 PolarHBondContact O-N 3.33Å; M213-I284 HydrophobicContact CB-CG2 4.21Å
214T76.4Confident75.5Confident91 Ų9151.2 Ų51.256%0.55830%0.295SS*.Hα-helixtrans-65.1-38.3178.745.90000112.5H210 V211 G217 A218H210-T214 WeakPolarHBondContact O-CB 3.09Å; H210-T214 WeakPolarHBondContact O-CG2 3.46Å; H210-T214 PolarHBondContact O-N 3.33Å; H210-T214 PolarHBondContact O-OG1 2.98Å; V211-T214 WeakPolarHBondContact CA-OG1 3.48Å; V211-T214 PolarHBondContact O-N 2.97Å; V211-T214 PolarHBondContact O-OG1 2.85Å; V211-T214 VanDerWaalsContact O-OG1 3.09Å; T214-G217 PolarHBondContact O-N 2.91Å; T214-A218 WeakPolarHBondContact O-CB 3.39Å; T214-A218 PolarHBondContact O-N 2.94Å
215T73.5Confident75.6Confident8 Ų854.4 Ų54.45%0.04931%0.314CS..Hα-helixtrans-63.8-47.1175.5-53.70000111.1V211 G217 A218 I219V211-T215 WeakPolarHBondContact O-CB 3.33Å; V211-T215 PolarHBondContact O-N 2.79Å; V211-T215 PolarHBondContact O-OG1 3.32Å; T215-G217 PolarHBondContact O-N 2.71Å; T215-A218 WeakPolarHBondContact O-CB 3.44Å; T215-A218 PolarHBondContact O-N 3.32Å; T215-I219 PolarHBondContact O-N 3.37Å
216N74.6Confident75.9Confident13 Ų1354 Ų547%0.0731%0.313CS..Hα-helixtrans-64.4-39.4174.6-90.421.7000112.8K212 M213 A218 I219 I220 L280 S281 I284K212-N216 PolarHBondContact O-N 3.38Å; M213-N216 PolarHBondContact O-N 3.1Å; N216-A218 VanDerWaalsContact C-N 3.29Å; N216-A218 PolarHBondContact O-N 3.39Å; N216-I219 PolarHBondContact O-N 3.26Å; N216-I220 VanDerWaalsContact O-CG1 3.32Å; N216-I220 WeakPolarHBondContact O-CG1 3.26Å; N216-I220 PolarHBondContact O-N 2.87Å; N216-L280 WeakPolarHBondContact ND2-CG 3.35Å; N216-L280 WeakPolarHBondContact OD1-CD2 3.49Å; N216-S281 PolarHBondContact ND2-N 2.81Å; N216-I284 HydrophobicContact CB-CD1 4.3Å; N216-I284 WeakPolarHBondContact ND2-CD1 3.33Å
217G78.1Confident76.3Confident39 Ų3952.2 Ų52.240%0.40230%0.303SS..Hα-helixtrans-58.9-39.1173.100000112.5M213 T214 T215 I220 G221M213-G217 PolarHBondContact O-N 3.33Å; T214-G217 PolarHBondContact O-N 2.91Å; T215-G217 PolarHBondContact O-N 2.71Å; G217-I220 PolarHBondContact O-N 3.16Å; G217-G221 PolarHBondContact O-N 3.47Å
218A81.1Confident77.1Confident32 Ų3254.5 Ų54.526%0.26431%0.313SS..Hα-helixtrans-67.1-41.9174.900000112.5T214 T215 N216 G221 V222T214-A218 WeakPolarHBondContact O-CB 3.39Å; T214-A218 PolarHBondContact O-N 2.94Å; T215-A218 WeakPolarHBondContact O-CB 3.44Å; T215-A218 PolarHBondContact O-N 3.32Å; N216-A218 VanDerWaalsContact C-N 3.29Å; N216-A218 PolarHBondContact O-N 3.39Å; A218-G221 PolarHBondContact O-N 3.45Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.35Å; A218-V222 PolarHBondContact O-N 2.75Å
219I78.6Confident77.8Confident19 Ų1953.3 Ų53.310%0.09730%0.303CS..Hα-helixtrans-59-48.8173.4-64.6172.9000110.4T133 Y134 T215 N216 F223 T277T133-I219 HydrophobicContact CG2-CG2 4.39Å; Y134-I219 HydrophobicContact CE1-CG1 3.91Å; Y134-I219 WeakPolarHBondContact OH-CG1 3.26Å; T215-I219 PolarHBondContact O-N 3.37Å; N216-I219 PolarHBondContact O-N 3.26Å; I219-F223 WeakPolarHBondContact O-CB 3.38Å; I219-F223 PolarHBondContact O-N 2.69Å; I219-T277 HydrophobicContact CG2-CG2 4.03Å
220I81.5Confident78.3Confident73 Ų7352.8 Ų52.837%0.37430%0.297SS..Hα-helixtrans-63.1-42.8178.5-65.8165.9000110.8N216 G217 F223 C224 T277N216-I220 VanDerWaalsContact O-CG1 3.32Å; N216-I220 WeakPolarHBondContact O-CG1 3.26Å; N216-I220 PolarHBondContact O-N 2.87Å; G217-I220 PolarHBondContact O-N 3.16Å; I220-F223 WeakPolarHBondContact O-CB 3.22Å; I220-F223 PolarHBondContact O-N 2.91Å; I220-C224 WeakPolarHBondContact O-CB 3.44Å; I220-C224 PolarHBondContact O-N 2.87Å; I220-C224 PolarHBondContact O-SG 3.41Å; I220-T277 HydrophobicContact CD1-CG2 4.2Å; I220-T277 HydrophobicContact CG1-CG2 3.62Å
221G82.4Confident78.9Confident32 Ų3250.3 Ų50.333%0.3329%0.289SS..Hα-helixtrans-61.2-50.3177.900000112.8G217 A218 F223 C224 V225G217-G221 PolarHBondContact O-N 3.47Å; A218-G221 PolarHBondContact O-N 3.45Å; G221-F223 VanDerWaalsContact C-N 3.3Å; G221-F223 PolarHBondContact O-N 2.92Å; G221-C224 PolarHBondContact O-N 2.91Å; G221-V225 WeakPolarHBondContact O-CG2 3.28Å; G221-V225 PolarHBondContact O-N 2.77Å
222V81.8Confident79.5Confident22 Ų2252.2 Ų52.213%0.13330%0.301CS..Hα-helixtrans-64.3-36.7177.6176.10000111.4Y134 L137 L138 L182 A218 S226Y134-V222 HydrophobicContact CD1-CB 4.22Å; Y134-V222 HydrophobicContact CD1-CG1 4.25Å; Y134-V222 HydrophobicContact CD1-CG2 4.04Å; Y134-V222 HydrophobicContact CE1-CB 4.45Å; Y134-V222 HydrophobicContact CE1-CG2 4.1Å; L137-V222 HydrophobicContact CB-CG1 4.02Å; L137-V222 HydrophobicContact CD1-CB 4.44Å; L137-V222 HydrophobicContact CD1-CG1 3.98Å; L138-V222 HydrophobicContact CD2-CG1 4.24Å; L138-V222 HydrophobicContact CG-CG1 4.31Å; L182-V222 HydrophobicContact CD1-CG2 3.85Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.35Å; A218-V222 PolarHBondContact O-N 2.75Å; V222-S226 VanDerWaalsContact O-CB 3.31Å; V222-S226 WeakPolarHBondContact O-CB 3.24Å; V222-S226 PolarHBondContact O-N 3.29Å; V222-S226 PolarHBondContact O-OG 3.22Å
223F79.7Confident80Confident25 Ų2550.4 Ų50.411%0.1130%0.295CS..Hα-helixtrans-60.7-50.9172.9178.8-82.8000111.3L137 I219 I220 G221 V225 S226 F227 F269 L270 L274L137-F223 HydrophobicContact CD1-CB 4.12Å; L137-F223 HydrophobicContact CD2-CB 4.47Å; L137-F223 HydrophobicContact CD2-CD2 3.97Å; I219-F223 WeakPolarHBondContact O-CB 3.38Å; I219-F223 PolarHBondContact O-N 2.69Å; I220-F223 WeakPolarHBondContact O-CB 3.22Å; I220-F223 PolarHBondContact O-N 2.91Å; G221-F223 VanDerWaalsContact C-N 3.3Å; G221-F223 PolarHBondContact O-N 2.92Å; F223-V225 PolarHBondContact O-N 3Å; F223-S226 PolarHBondContact O-N 2.92Å; F223-F227 HydrophobicContact CE1-CB 4.46Å; F223-F227 VanDerWaalsContact O-CB 3.3Å; F223-F227 WeakPolarHBondContact O-CB 3.33Å; F223-F227 PolarHBondContact O-N 3.29Å; F223-F269 HydrophobicContact CD2-CD1 4.23Å; F223-F269 AromaticContact CD2-CE1 3.98Å; F223-F269 HydrophobicContact CD2-CE1 3.98Å; F223-F269 HydrophobicContact CE2-CD1 4.01Å; F223-F269 HydrophobicContact CE2-CE1 4.18Å; F223-L270 HydrophobicContact CE1-CD2 4.33Å; F223-L270 HydrophobicContact CE2-CD2 3.71Å; F223-L270 HydrophobicContact CZ-CB 4.42Å; F223-L270 HydrophobicContact CZ-CD2 3.34Å; F223-L270 HydrophobicContact CZ-CG 4.37Å; F223-L274 HydrophobicContact CD1-CD2 4.09Å; F223-L274 HydrophobicContact CD2-CD2 4.2Å; F223-L274 HydrophobicContact CE1-CD1 4.16Å; F223-L274 HydrophobicContact CE1-CD2 3.59Å; F223-L274 HydrophobicContact CE1-CG 4.11Å; F223-L274 HydrophobicContact CE2-CD1 4.38Å; F223-L274 HydrophobicContact CE2-CD2 3.68Å; F223-L274 HydrophobicContact CE2-CG 3.73Å; F223-L274 HydrophobicContact CG-CD2 4.38Å; F223-L274 HydrophobicContact CZ-CD1 3.6Å; F223-L274 HydrophobicContact CZ-CD2 3.35Å; F223-L274 HydrophobicContact CZ-CG 3.4Å
224C83.3Confident80.3Confident69 Ų6946.1 Ų46.147%0.46627%0.272SS..Hα-helixtrans-60.9-43.3178.3-73.40000112.3I220 G221 F227 F228I220-C224 WeakPolarHBondContact O-CB 3.44Å; I220-C224 PolarHBondContact O-N 2.87Å; I220-C224 PolarHBondContact O-SG 3.41Å; G221-C224 PolarHBondContact O-N 2.91Å; C224-F227 PolarHBondContact O-N 2.97Å; C224-F228 VanDerWaalsContact O-CB 3.24Å; C224-F228 WeakPolarHBondContact O-CB 3.24Å; C224-F228 PolarHBondContact O-N 2.93Å
225V83.4Confident80.5Confident92 Ų9245.6 Ų45.656%0.55827%0.269SS*.Hα-helixtrans-62.2-45175.6169.70000111.2G221 F223 T229G221-V225 WeakPolarHBondContact O-CG2 3.28Å; G221-V225 PolarHBondContact O-N 2.77Å; F223-V225 PolarHBondContact O-N 3Å; V225-T229 VanDerWaalsContact O-CB 3.32Å; V225-T229 WeakPolarHBondContact O-CB 3.25Å; V225-T229 PolarHBondContact O-N 3.4Å; V225-T229 PolarHBondContact O-OG1 3.49Å
226S81.1Confident80.9Confident7 Ų747 Ų475%0.04928%0.279CS..Hα-helixtrans-66.1-44.2178.8-60.40000111.3L137 V222 F223 T229 M230L137-S226 PolarHBondContact O-OG 3.17Å; V222-S226 VanDerWaalsContact O-CB 3.31Å; V222-S226 WeakPolarHBondContact O-CB 3.24Å; V222-S226 PolarHBondContact O-N 3.29Å; V222-S226 PolarHBondContact O-OG 3.22Å; F223-S226 PolarHBondContact O-N 2.92Å; S226-T229 PolarHBondContact O-N 3.27Å; S226-M230 WeakPolarHBondContact O-CG 3.42Å; S226-M230 PolarHBondContact O-N 3.36Å
227F81.4Confident81Confident91 Ų9146.5 Ų46.540%0.39928%0.276SS..Hα-helixtrans-65.3-43.4177.3-179.1-101.2000112.6F223 C224 M230 V231 V266 L270F223-F227 HydrophobicContact CE1-CB 4.46Å; F223-F227 VanDerWaalsContact O-CB 3.3Å; F223-F227 WeakPolarHBondContact O-CB 3.33Å; F223-F227 PolarHBondContact O-N 3.29Å; C224-F227 PolarHBondContact O-N 2.97Å; F227-M230 VanDerWaalsContact O-CB 3.3Å; F227-M230 WeakPolarHBondContact O-CB 3.29Å; F227-M230 PolarHBondContact O-N 2.81Å; F227-V231 HydrophobicContact CD1-CG2 4.31Å; F227-V231 HydrophobicContact CE1-CG2 3.85Å; F227-V231 HydrophobicContact CE2-CG2 4.25Å; F227-V231 HydrophobicContact CZ-CG2 3.82Å; F227-V231 WeakPolarHBondContact O-CG2 3.46Å; F227-V231 PolarHBondContact O-N 3.25Å; F227-V266 HydrophobicContact CD2-CG1 4.44Å; F227-L270 HydrophobicContact CD2-CD1 4.19Å; F227-L270 HydrophobicContact CD2-CD2 3.92Å; F227-L270 HydrophobicContact CE2-CD1 3.84Å; F227-L270 HydrophobicContact CE2-CD2 4.41Å
228F83.3Confident80.8Confident140 Ų14046.4 Ų46.461%0.61428%0.275SS*.Hα-helixtrans-61.1-46.9174.8179.3-100.7000111.5C224 M230 V231 V232C224-F228 VanDerWaalsContact O-CB 3.24Å; C224-F228 WeakPolarHBondContact O-CB 3.24Å; C224-F228 PolarHBondContact O-N 2.93Å; F228-M230 VanDerWaalsContact C-N 3.27Å; F228-M230 PolarHBondContact O-N 3.28Å; F228-V231 PolarHBondContact O-N 3.02Å; F228-V232 HydrophobicContact CD1-CG2 4.26Å; F228-V232 HydrophobicContact CD2-CG2 4.43Å; F228-V232 HydrophobicContact CE1-CG2 3.82Å; F228-V232 HydrophobicContact CE2-CG2 4.01Å; F228-V232 HydrophobicContact CZ-CG2 3.69Å; F228-V232 WeakPolarHBondContact O-CG2 3.25Å; F228-V232 PolarHBondContact O-N 3.38Å
229T82.4Confident80.8Confident36 Ų3648.6 Ų48.622%0.22129%0.285CS..Hα-helixtrans-55.8-42.5174.7-58.20000111.5I145 V225 S226 C233I145-T229 HydrophobicContact CD1-CG2 3.99Å; I145-T229 HydrophobicContact CG1-CG2 3.93Å; V225-T229 VanDerWaalsContact O-CB 3.32Å; V225-T229 WeakPolarHBondContact O-CB 3.25Å; V225-T229 PolarHBondContact O-N 3.4Å; V225-T229 PolarHBondContact O-OG1 3.49Å; S226-T229 PolarHBondContact O-N 3.27Å; T229-C233 VanDerWaalsContact O-CB 3.3Å; T229-C233 WeakPolarHBondContact O-CB 3.16Å; T229-C233 PolarHBondContact O-N 3.44Å; T229-C233 PolarHBondContact O-SG 2.79Å
230M77.3Confident80.6Confident6 Ų649.8 Ų49.83%0.0329%0.293CS..Hα-helixtrans-59.8-52.7175.2-71.4-80.6175.500112.1L140 S144 S226 F227 F228 V232 C233 Y234 V266L140-M230 HydrophobicContact CB-CE 3.58Å; L140-M230 WeakPolarHBondContact O-CE 3.39Å; S144-M230 VanDerWaalsContact CB-SD 3.55Å; S144-M230 WeakPolarHBondContact OG-CE 3.42Å; S144-M230 PolarHBondContact OG-SD 3.42Å; S226-M230 WeakPolarHBondContact O-CG 3.42Å; S226-M230 PolarHBondContact O-N 3.36Å; F227-M230 VanDerWaalsContact O-CB 3.3Å; F227-M230 WeakPolarHBondContact O-CB 3.29Å; F227-M230 PolarHBondContact O-N 2.81Å; F228-M230 VanDerWaalsContact C-N 3.27Å; F228-M230 PolarHBondContact O-N 3.28Å; M230-V232 PolarHBondContact O-N 2.87Å; M230-C233 PolarHBondContact O-N 2.84Å; M230-Y234 HydrophobicContact CB-CD2 4.27Å; M230-Y234 HydrophobicContact CB-CE2 3.99Å; M230-Y234 HydrophobicContact CG-CE2 4.44Å; M230-Y234 WeakPolarHBondContact O-CD2 3.2Å; M230-Y234 PolarHBondContact O-N 2.81Å; M230-Y234 HydrophobicContact SD-CE2 3.57Å; M230-Y234 VanDerWaalsContact SD-CE2 3.57Å; M230-Y234 PolarHBondContact SD-OH 3.42Å; M230-V266 HydrophobicContact CE-CG2 3.61Å; M230-V266 HydrophobicContact CG-CG2 3.88Å; M230-V266 HydrophobicContact SD-CG2 3.27Å; M230-V266 WeakPolarHBondContact SD-CG2 3.23Å
231V82.4Confident80.2Confident63 Ų6347.1 Ų47.138%0.38228%0.28SS..Hα-helixtrans-58.1-51.2-178.61720000110F227 F228 C233 Y234 T235F227-V231 HydrophobicContact CD1-CG2 4.31Å; F227-V231 HydrophobicContact CE1-CG2 3.85Å; F227-V231 HydrophobicContact CE2-CG2 4.25Å; F227-V231 HydrophobicContact CZ-CG2 3.82Å; F227-V231 WeakPolarHBondContact O-CG2 3.46Å; F227-V231 PolarHBondContact O-N 3.25Å; F228-V231 PolarHBondContact O-N 3.02Å; V231-C233 PolarHBondContact O-N 3.48Å; V231-Y234 PolarHBondContact O-N 3.42Å; V231-T235 HydrophobicContact CG1-CG2 4.24Å; V231-T235 WeakPolarHBondContact O-CG2 3.45Å; V231-T235 PolarHBondContact O-N 3.38Å; V231-T235 PolarHBondContact O-OG1 2.85Å
232V84.2Confident79.7Confident62 Ų6255 Ų5538%0.37630%0.299SS..Hα-helixtrans-60.3-42.5178.4174.90000112.1F228 M230 T235 S236F228-V232 HydrophobicContact CD1-CG2 4.26Å; F228-V232 HydrophobicContact CD2-CG2 4.43Å; F228-V232 HydrophobicContact CE1-CG2 3.82Å; F228-V232 HydrophobicContact CE2-CG2 4.01Å; F228-V232 HydrophobicContact CZ-CG2 3.69Å; F228-V232 WeakPolarHBondContact O-CG2 3.25Å; F228-V232 PolarHBondContact O-N 3.38Å; M230-V232 PolarHBondContact O-N 2.87Å; V232-T235 PolarHBondContact O-OG1 2.99Å; V232-T235 VanDerWaalsContact O-OG1 3.14Å; V232-S236 VanDerWaalsContact O-CB 3.24Å; V232-S236 WeakPolarHBondContact O-CB 3.32Å; V232-S236 PolarHBondContact O-N 3.01Å; V232-S236 VanDerWaalsContact O-N 3.12Å; V232-S236 PolarHBondContact O-OG 2.8Å
233C81.6Confident79.3Confident12 Ų1260.2 Ų60.28%0.08132%0.322CS..Hα-helixtrans-63.4-44.7176.6-72.50000111.7T229 M230 V231 I237T229-C233 VanDerWaalsContact O-CB 3.3Å; T229-C233 WeakPolarHBondContact O-CB 3.16Å; T229-C233 PolarHBondContact O-N 3.44Å; T229-C233 PolarHBondContact O-SG 2.79Å; M230-C233 PolarHBondContact O-N 2.84Å; V231-C233 PolarHBondContact O-N 3.48Å; C233-I237 WeakPolarHBondContact O-CB 3.16Å; C233-I237 WeakPolarHBondContact O-CD1 3.35Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.9Å
234Y79.3Confident78.5Confident37 Ų3760.8 Ų60.815%0.14534%0.335CS..Hα-helixtrans-76.1-36.1-176.4-63.7-45.3000113.7S144 M230 V231 I237 G238 L259 M262 V263 V266S144-Y234 PolarHBondContact OG-OH 3.45Å; M230-Y234 HydrophobicContact CB-CD2 4.27Å; M230-Y234 HydrophobicContact CB-CE2 3.99Å; M230-Y234 HydrophobicContact CG-CE2 4.44Å; M230-Y234 WeakPolarHBondContact O-CD2 3.2Å; M230-Y234 PolarHBondContact O-N 2.81Å; M230-Y234 HydrophobicContact SD-CE2 3.57Å; M230-Y234 VanDerWaalsContact SD-CE2 3.57Å; M230-Y234 PolarHBondContact SD-OH 3.42Å; V231-Y234 PolarHBondContact O-N 3.42Å; Y234-I237 HydrophobicContact CD1-CD1 4.24Å; Y234-I237 PolarHBondContact O-N 2.84Å; Y234-G238 PolarHBondContact O-N 2.8Å; Y234-L259 HydrophobicContact CD1-CD2 3.65Å; Y234-L259 HydrophobicContact CE1-CD2 3.98Å; Y234-M262 HydrophobicContact CE1-CB 4.19Å; Y234-M262 VanDerWaalsContact OH-C 3.32Å; Y234-M262 WeakPolarHBondContact OH-CB 3.35Å; Y234-M262 PolarHBondContact OH-O 3.41Å; Y234-V263 HydrophobicContact CD2-CG2 4.03Å; Y234-V263 HydrophobicContact CE2-CG2 3.94Å; Y234-V263 HydrophobicContact CG-CG2 4.38Å; Y234-V266 HydrophobicContact CE2-CG2 4.4Å
235T80.7Confident77.1Confident80 Ų8061.1 Ų61.149%0.49133%0.33SS..Hα-helixtrans-62.4-46.3171.854.30000110.2V231 V232 I237 G238 V239V231-T235 HydrophobicContact CG1-CG2 4.24Å; V231-T235 WeakPolarHBondContact O-CG2 3.45Å; V231-T235 PolarHBondContact O-N 3.38Å; V231-T235 PolarHBondContact O-OG1 2.85Å; V232-T235 PolarHBondContact O-OG1 2.99Å; V232-T235 VanDerWaalsContact O-OG1 3.14Å; T235-I237 VanDerWaalsContact C-N 3.33Å; T235-I237 PolarHBondContact O-N 3.21Å; T235-G238 WeakPolarHBondContact O-CA 3.5Å; T235-G238 PolarHBondContact O-N 3.35Å; T235-V239 WeakPolarHBondContact O-CG2 3.36Å; T235-V239 PolarHBondContact O-N 3.3Å
236S80.3Confident75.6Confident38 Ų3862.8 Ų62.827%0.26634%0.34SS..Hα-helixtrans-60.3-40.1176.1-56.60000112.5V232 G238 V240V232-S236 VanDerWaalsContact O-CB 3.24Å; V232-S236 WeakPolarHBondContact O-CB 3.32Å; V232-S236 PolarHBondContact O-N 3.01Å; V232-S236 VanDerWaalsContact O-N 3.12Å; V232-S236 PolarHBondContact O-OG 2.8Å; S236-G238 VanDerWaalsContact C-N 3.34Å; S236-V240 WeakPolarHBondContact O-CG2 3.22Å; S236-V240 PolarHBondContact O-N 2.79Å; S236-V240 VanDerWaalsContact O-N 3.08Å
237I76.3Confident74.1Confident1 Ų170.6 Ų70.61%0.00538%0.375CS..Hα-helixtrans-66.3-37.7173-68.8162.9000111.3R147 Y148 V151 C233 Y234 T235 L241 L259R147-I237 HydrophobicContact CB-CD1 4.21Å; Y148-I237 HydrophobicContact CD2-CG1 4.12Å; V151-I237 HydrophobicContact CB-CG1 4.37Å; V151-I237 HydrophobicContact CB-CG2 4.42Å; V151-I237 HydrophobicContact CG1-CG2 4.06Å; V151-I237 HydrophobicContact CG2-CG2 4.34Å; C233-I237 WeakPolarHBondContact O-CB 3.16Å; C233-I237 WeakPolarHBondContact O-CD1 3.35Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.9Å; Y234-I237 HydrophobicContact CD1-CD1 4.24Å; Y234-I237 PolarHBondContact O-N 2.84Å; T235-I237 VanDerWaalsContact C-N 3.33Å; T235-I237 PolarHBondContact O-N 3.21Å; I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.22Å; I237-L241 VanDerWaalsContact O-CB 3.32Å; I237-L241 WeakPolarHBondContact O-CB 3.24Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.37Å; I237-L241 PolarHBondContact O-N 3.35Å; I237-L259 HydrophobicContact CB-CD2 4.31Å; I237-L259 HydrophobicContact CD1-CD2 3.84Å; I237-L259 HydrophobicContact CG2-CD1 3.53Å; I237-L259 HydrophobicContact CG2-CD2 3.72Å; I237-L259 HydrophobicContact CG2-CG 4.2Å
238G75.3Confident72.9Confident37 Ų3775 Ų7538%0.38139%0.389SS..Hα-helixtrans-58.5-48.8174.800000112.2Y234 T235 S236 L241 W242Y234-G238 PolarHBondContact O-N 2.8Å; T235-G238 WeakPolarHBondContact O-CA 3.5Å; T235-G238 PolarHBondContact O-N 3.35Å; S236-G238 VanDerWaalsContact C-N 3.34Å; G238-L241 PolarHBondContact O-N 3.15Å; G238-W242 WeakPolarHBondContact O-CB 3.46Å; G238-W242 PolarHBondContact O-N 3.17Å
239V80.1Confident71.5Confident78 Ų7879.4 Ų79.447%0.47340%0.402SS..Hα-helixtrans-59.2-52.9175.8174.30000111.2T235 L241 W242 E243T235-V239 WeakPolarHBondContact O-CG2 3.36Å; T235-V239 PolarHBondContact O-N 3.3Å; V239-L241 PolarHBondContact O-N 2.86Å; V239-W242 WeakPolarHBondContact O-CB 3.43Å; V239-W242 PolarHBondContact O-N 3.01Å; V239-E243 WeakPolarHBondContact CG1-OE1 3.32Å; V239-E243 WeakPolarHBondContact O-CG 3.34Å; V239-E243 PolarHBondContact O-N 2.84Å
240V74.9Confident70.3Confident45 Ų4581.2 Ų81.227%0.27343%0.427SS..Hα-helixtrans-61.4-30.4178.9171.10000112.6V151 A152 S236 G244V151-V240 HydrophobicContact CG1-CG1 4.04Å; A152-V240 HydrophobicContact CB-CG2 4.34Å; S236-V240 WeakPolarHBondContact O-CG2 3.22Å; S236-V240 PolarHBondContact O-N 2.79Å; S236-V240 VanDerWaalsContact O-N 3.08Å; V240-G244 PolarHBondContact O-N 3.14Å; V240-G244 VanDerWaalsContact O-N 3.07Å
241L73.2Confident69.4Low17 Ų1788.1 Ų88.19%0.08946%0.457CS..Hα-helixtrans-75-38.7173.2-77.6175.3000112.5I237 G238 V239 G244 H245 R255 L259I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.22Å; I237-L241 VanDerWaalsContact O-CB 3.32Å; I237-L241 WeakPolarHBondContact O-CB 3.24Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.37Å; I237-L241 PolarHBondContact O-N 3.35Å; G238-L241 PolarHBondContact O-N 3.15Å; V239-L241 PolarHBondContact O-N 2.86Å; L241-G244 CarbonylContact O-C 3.5Å; L241-G244 PolarHBondContact O-N 3.23Å; L241-H245 PolarHBondContact O-CD2 3.49Å; L241-H245 PolarHBondContact O-N 3.2Å; L241-R255 HydrophobicContact CD2-CB 4.43Å; L241-L259 HydrophobicContact CD1-CD1 3.49Å; L241-L259 VanDerWaalsContact CD1-CD1 3.49Å
242W72.6Confident68.4Low196 Ų19686.9 Ų86.974%0.74245%0.448SS*.Hα-helixtrans-64.1-48.6177.5-171.6-101000111.5G238 V239 G244 H245G238-W242 WeakPolarHBondContact O-CB 3.46Å; G238-W242 PolarHBondContact O-N 3.17Å; V239-W242 WeakPolarHBondContact O-CB 3.43Å; V239-W242 PolarHBondContact O-N 3.01Å; W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.83Å; W242-H245 WeakPolarHBondContact O-CB 3.46Å; W242-H245 PolarHBondContact O-N 3.02Å
243E71.8Confident67.2Low132 Ų13291.3 Ų91.362%0.61746%0.458SS*.Hα-helixtrans-60.8-40.4172.3-66.2168.5179.400111.3V239 H245V239-E243 WeakPolarHBondContact CG1-OE1 3.32Å; V239-E243 WeakPolarHBondContact O-CG 3.34Å; V239-E243 PolarHBondContact O-N 2.84Å; E243-H245 VanDerWaalsContact C-N 3.35Å; E243-H245 PolarHBondContact O-N 3.48Å
244G62.9Low66.3Low37 Ų3795.7 Ų95.738%0.38148%0.476SS..Hα-helixtrans-74.1-13.3179.200000116.1V240 L241 W242 V246 H247V240-G244 PolarHBondContact O-N 3.14Å; V240-G244 VanDerWaalsContact O-N 3.07Å; L241-G244 CarbonylContact O-C 3.5Å; L241-G244 PolarHBondContact O-N 3.23Å; W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.83Å; G244-V246 PolarHBondContact O-N 3.47Å; G244-H247 PolarHBondContact O-N 3.08Å
245H54Low65.7Low77 Ų7797.9 Ų97.936%0.35648%0.484SS..THydrogen-bonded Turntrans-58-31.2179-88.2-168.8000112.1L241 W242 E243 H247 Q252L241-H245 PolarHBondContact O-CD2 3.49Å; L241-H245 PolarHBondContact O-N 3.2Å; W242-H245 WeakPolarHBondContact O-CB 3.46Å; W242-H245 PolarHBondContact O-N 3.02Å; E243-H245 VanDerWaalsContact C-N 3.35Å; E243-H245 PolarHBondContact O-N 3.48Å; H245-H247 PolarHBondContact O-N 2.8Å; H245-H247 VanDerWaalsContact O-N 3.15Å; H245-Q252 PolarHBondContact CD2-NE2 3.46Å; H245-Q252 VanDerWaalsContact CD2-NE2 3.29Å; H245-Q252 PolarHBondContact CD2-OE1 3.39Å; H245-Q252 PolarHBondContact NE2-NE2 2.8Å
246V52.8Low65.2Low126 Ų12697.9 Ų97.976%0.76448%0.479SS*.THydrogen-bonded Turntrans-66.4-13.4-177.4-175.30000112.8G244G244-V246 PolarHBondContact O-N 3.47Å
247H49.7Very low64.8Low171 Ų17199 Ų9979%0.79248%0.478SS*.THydrogen-bonded Turntrans-132.1-19.8-169.5-111.344.6000118.3G244 H245G244-H247 PolarHBondContact O-N 3.08Å; H245-H247 PolarHBondContact O-N 2.8Å; H245-H247 VanDerWaalsContact O-N 3.15Å
248R55.7Low64.6Low183 Ų183101.4 Ų101.469%0.69149%0.492SS*.  trans-144.468.4-173.8-75.1-169.6168.4161.9-2.3116.7G250R248-G250 VanDerWaalsContact C-N 3.3Å; R248-G250 PolarHBondContact O-N 2.98Å; R248-G250 VanDerWaalsContact O-N 3.17Å
249R54.1Low64.3Low233 Ų233101 Ų10188%0.87948%0.481SS*.G310 helixtrans-54.9-33-179.5-150.4164.1-177.7136.1-4.6115.3
250G57Low64.1Low74 Ų74104.8 Ų104.876%0.76349%0.491SS*.G310 helixtrans-78.6-27.8-173.400000117.4R248R248-G250 VanDerWaalsContact C-N 3.3Å; R248-G250 PolarHBondContact O-N 2.98Å; R248-G250 VanDerWaalsContact O-N 3.17Å
251K57.8Low64.2Low152 Ų152103.4 Ų103.466%0.66148%0.482SS*.G310 helixtrans-90.3-4.2-179.4-103.5175.9-179.5170.90113.8
252Q62.8Low64.2Low37 Ų37103 Ų10317%0.17348%0.48CS..Hα-helixtrans-75.1-41.8-167.1-169.6168.5-52.300113.6H245 H254 R255 Q256H245-Q252 PolarHBondContact CD2-NE2 3.46Å; H245-Q252 VanDerWaalsContact CD2-NE2 3.29Å; H245-Q252 PolarHBondContact CD2-OE1 3.39Å; H245-Q252 PolarHBondContact NE2-NE2 2.8Å; Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 3.24Å; Q252-R255 WeakPolarHBondContact O-CB 3.25Å; Q252-R255 PolarHBondContact O-N 3.12Å; Q252-Q256 HydrophobicContact CG-CG 4.41Å; Q252-Q256 PolarHBondContact O-N 3.43Å
253W58Low64.4Low155 Ų15596.4 Ų96.459%0.58746%0.461SS*.Hα-helixtrans-59.4-42.6-178.6-17382.7000112.6R255 R257W253-R255 PolarHBondContact O-N 3.13Å; W253-R257 VanDerWaalsContact CH2-NH1 3.31Å; W253-R257 VanDerWaalsContact O-CB 3.24Å; W253-R257 WeakPolarHBondContact O-CB 3.24Å; W253-R257 PolarHBondContact O-N 2.71Å
254H62.6Low64.9Low103 Ų10391.4 Ų91.448%0.47744%0.442SS..Hα-helixtrans-63.8-38.1174.2-73.5-55.9000112.8Q252 T258Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 3.24Å; H254-T258 PolarHBondContact O-N 2.83Å; H254-T258 PolarHBondContact O-OG1 3.24Å
255R67.8Low65.7Low83 Ų8389.7 Ų89.731%0.31343%0.425SS..Hα-helixtrans-66.8-50.4177-73.9-180163.6-164-13.5111.5V151 L241 Q252 W253 R257 T258 L259V151-R255 PolarHBondContact O-NH2 3.42Å; L241-R255 HydrophobicContact CD2-CB 4.43Å; Q252-R255 WeakPolarHBondContact O-CB 3.25Å; Q252-R255 PolarHBondContact O-N 3.12Å; W253-R255 PolarHBondContact O-N 3.13Å; R255-R257 VanDerWaalsContact C-N 3.31Å; R255-R257 PolarHBondContact O-N 2.93Å; R255-T258 PolarHBondContact O-N 3.14Å; R255-L259 WeakPolarHBondContact O-CG 3.47Å; R255-L259 PolarHBondContact O-N 3.35Å
256Q69.7Low66.8Low81 Ų8186.7 Ų86.738%0.37941%0.411SS..Hα-helixtrans-59-40.9176.4-72.7-177.6-16.600112.1Q252 L259 K260Q252-Q256 HydrophobicContact CG-CG 4.41Å; Q252-Q256 PolarHBondContact O-N 3.43Å; Q256-L259 PolarHBondContact O-N 3.07Å; Q256-K260 WeakPolarHBondContact O-CG 3.5Å; Q256-K260 PolarHBondContact O-N 3.01Å
257R72.8Confident68.1Low62 Ų6284.7 Ų84.723%0.23440%0.396CS..Hα-helixtrans-63.5-41.2175.6-176.6173.8-179.4139.98.5112.6W253 R255 L261 V315W253-R257 VanDerWaalsContact CH2-NH1 3.31Å; W253-R257 VanDerWaalsContact O-CB 3.24Å; W253-R257 WeakPolarHBondContact O-CB 3.24Å; W253-R257 PolarHBondContact O-N 2.71Å; R255-R257 VanDerWaalsContact C-N 3.31Å; R255-R257 PolarHBondContact O-N 2.93Å; R257-L261 PolarHBondContact O-N 3.23Å; R257-L261 VanDerWaalsContact O-N 3.09Å; R257-V315 HydrophobicContact CG-CG1 4.47Å; R257-V315 VanDerWaalsContact CZ-O 3.27Å; R257-V315 PolarHBondContact NE-O 3.48Å; R257-V315 PolarHBondContact NH2-O 3.33Å
258T70.3Confident69.8Low51 Ų5177.6 Ų77.631%0.31337%0.365SS..Hα-helixtrans-66.1-38.3174.8-56.20000111.6H254 R255 L261 M262H254-T258 PolarHBondContact O-N 2.83Å; H254-T258 PolarHBondContact O-OG1 3.24Å; R255-T258 PolarHBondContact O-N 3.14Å; T258-L261 WeakPolarHBondContact O-CB 3.35Å; T258-L261 PolarHBondContact O-N 3.49Å; T258-M262 HydrophobicContact CG2-CE 4.29Å; T258-M262 WeakPolarHBondContact O-CG 3.26Å; T258-M262 PolarHBondContact O-N 3.04Å; T258-M262 VanDerWaalsContact O-N 3.1Å
259L70.6Confident70.9Confident29 Ų2969.3 Ų69.315%0.15233%0.334CS..Hα-helixtrans-63.8-46.9174.6-72.4160.2000112.3Y234 I237 L241 R255 Q256 L261 M262 V263Y234-L259 HydrophobicContact CD1-CD2 3.65Å; Y234-L259 HydrophobicContact CE1-CD2 3.98Å; I237-L259 HydrophobicContact CB-CD2 4.31Å; I237-L259 HydrophobicContact CD1-CD2 3.84Å; I237-L259 HydrophobicContact CG2-CD1 3.53Å; I237-L259 HydrophobicContact CG2-CD2 3.72Å; I237-L259 HydrophobicContact CG2-CG 4.2Å; L241-L259 HydrophobicContact CD1-CD1 3.49Å; L241-L259 VanDerWaalsContact CD1-CD1 3.49Å; R255-L259 WeakPolarHBondContact O-CG 3.47Å; R255-L259 PolarHBondContact O-N 3.35Å; Q256-L259 PolarHBondContact O-N 3.07Å; L259-L261 PolarHBondContact O-N 3.13Å; L259-M262 PolarHBondContact O-N 2.98Å; L259-M262 VanDerWaalsContact O-N 3.1Å; L259-V263 WeakPolarHBondContact O-CG2 3.33Å; L259-V263 PolarHBondContact O-N 3.16Å
260K76.1Confident72.1Confident156 Ų15659.7 Ų59.768%0.67830%0.299SS*.Hα-helixtrans-56.4-38.6174.3-73.8-174.3176.7-169.60112.3Q256 A264Q256-K260 WeakPolarHBondContact O-CG 3.5Å; Q256-K260 PolarHBondContact O-N 3.01Å; K260-A264 VanDerWaalsContact O-CB 3.26Å; K260-A264 WeakPolarHBondContact O-CB 3.29Å; K260-A264 PolarHBondContact O-N 3.06Å
261L75.9Confident73.5Confident17 Ų1761.1 Ų61.19%0.08929%0.288CS..Hα-helixtrans-61.1-49.9174.2-166.7157.5000111.4R257 T258 L259 A264 L265 Y312 V315R257-L261 PolarHBondContact O-N 3.23Å; R257-L261 VanDerWaalsContact O-N 3.09Å; T258-L261 WeakPolarHBondContact O-CB 3.35Å; T258-L261 PolarHBondContact O-N 3.49Å; L259-L261 PolarHBondContact O-N 3.13Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.27Å; L261-L265 HydrophobicContact CD2-CD1 3.78Å; L261-L265 HydrophobicContact CD2-CG 4.1Å; L261-L265 PolarHBondContact O-N 3.33Å; L261-Y312 HydrophobicContact CD2-CD1 4.15Å; L261-Y312 HydrophobicContact CD2-CE1 4.19Å; L261-V315 HydrophobicContact CB-CB 4.12Å; L261-V315 HydrophobicContact CB-CG1 3.61Å; L261-V315 HydrophobicContact CD1-CB 3.74Å; L261-V315 HydrophobicContact CD1-CG1 3.97Å; L261-V315 HydrophobicContact CG-CB 3.84Å; L261-V315 HydrophobicContact CG-CG1 3.93Å
262M73.6Confident74.8Confident9 Ų955.8 Ų55.84%0.04427%0.265CS..Hα-helixtrans-73.5-33.8-174.8-55.3-58.517800112.5T86 I143 R147 Y234 T258 L259 A264 L265 V266T86-M262 HydrophobicContact CG2-CE 3.94Å; I143-M262 HydrophobicContact CG2-CE 3.87Å; I143-M262 HydrophobicContact CG2-CG 4.32Å; I143-M262 HydrophobicContact CG2-SD 3.51Å; I143-M262 VanDerWaalsContact CG2-SD 3.51Å; R147-M262 HydrophobicContact CG-CG 4.22Å; Y234-M262 HydrophobicContact CE1-CB 4.19Å; Y234-M262 VanDerWaalsContact OH-C 3.32Å; Y234-M262 WeakPolarHBondContact OH-CB 3.35Å; Y234-M262 PolarHBondContact OH-O 3.41Å; T258-M262 HydrophobicContact CG2-CE 4.29Å; T258-M262 WeakPolarHBondContact O-CG 3.26Å; T258-M262 PolarHBondContact O-N 3.04Å; T258-M262 VanDerWaalsContact O-N 3.1Å; L259-M262 PolarHBondContact O-N 2.98Å; L259-M262 VanDerWaalsContact O-N 3.1Å; M262-A264 VanDerWaalsContact C-N 3.34Å; M262-L265 PolarHBondContact O-N 2.94Å; M262-L265 HydrophobicContact SD-CD1 3.56Å; M262-L265 VanDerWaalsContact SD-CD1 3.56Å; M262-V266 WeakPolarHBondContact O-CG2 3.48Å; M262-V266 PolarHBondContact O-N 2.95Å; M262-V266 VanDerWaalsContact O-N 3.14Å
263V76.4Confident75.9Confident57 Ų5754.1 Ų54.135%0.34526%0.258SS..Hα-helixtrans-63-40.7168.21730000110.8Y234 L259 V266 L267Y234-V263 HydrophobicContact CD2-CG2 4.03Å; Y234-V263 HydrophobicContact CE2-CG2 3.94Å; Y234-V263 HydrophobicContact CG-CG2 4.38Å; L259-V263 WeakPolarHBondContact O-CG2 3.33Å; L259-V263 PolarHBondContact O-N 3.16Å; V263-V266 PolarHBondContact O-N 3.1Å; V263-L267 HydrophobicContact CG1-CD1 3.93Å; V263-L267 HydrophobicContact CG1-CG 4.24Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 2.9Å
264A81.8Confident77Confident26 Ų2649.8 Ų49.822%0.21525%0.246CC..Hα-helixtrans-64.5-39176.400000113K260 L261 M262 V266 L267 V268 L311K260-A264 VanDerWaalsContact O-CB 3.26Å; K260-A264 WeakPolarHBondContact O-CB 3.29Å; K260-A264 PolarHBondContact O-N 3.06Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.27Å; M262-A264 VanDerWaalsContact C-N 3.34Å; A264-V266 VanDerWaalsContact C-N 3.33Å; A264-V266 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.49Å; A264-V268 WeakPolarHBondContact O-CB 3.22Å; A264-V268 WeakPolarHBondContact O-CG2 3.17Å; A264-V268 PolarHBondContact O-N 3.09Å; A264-L311 HydrophobicContact CB-CD2 4.2Å
265L79.9Confident78.1Confident2 Ų246.9 Ų46.91%0.0124%0.236CC..Hα-helixtrans-59.4-44.4172.2-68.4170000111.5L140 L261 M262 F269 L311 Y312L140-L265 HydrophobicContact CD2-CB 3.95Å; L140-L265 HydrophobicContact CD2-CD1 4.12Å; L261-L265 HydrophobicContact CD2-CD1 3.78Å; L261-L265 HydrophobicContact CD2-CG 4.1Å; L261-L265 PolarHBondContact O-N 3.33Å; M262-L265 PolarHBondContact O-N 2.94Å; M262-L265 HydrophobicContact SD-CD1 3.56Å; M262-L265 VanDerWaalsContact SD-CD1 3.56Å; L265-F269 PolarHBondContact O-N 3.18Å; L265-L311 HydrophobicContact CD2-CB 4.2Å; L265-L311 HydrophobicContact CD2-CD1 3.75Å; L265-L311 HydrophobicContact CG-CD1 4.41Å; L265-Y312 HydrophobicContact CD1-CE1 3.91Å; L265-Y312 HydrophobicContact CD2-CE1 3.72Å; L265-Y312 HydrophobicContact CG-CE1 4.35Å
266V77Confident78.9Confident13 Ų1344.8 Ų44.88%0.07923%0.228CC..Hα-helixtrans-62.2-52.3176.6175.40000110.2F227 M230 Y234 M262 V263 A264 V268 F269 L270F227-V266 HydrophobicContact CD2-CG1 4.44Å; M230-V266 HydrophobicContact CE-CG2 3.61Å; M230-V266 HydrophobicContact CG-CG2 3.88Å; M230-V266 HydrophobicContact SD-CG2 3.27Å; M230-V266 WeakPolarHBondContact SD-CG2 3.23Å; Y234-V266 HydrophobicContact CE2-CG2 4.4Å; M262-V266 WeakPolarHBondContact O-CG2 3.48Å; M262-V266 PolarHBondContact O-N 2.95Å; M262-V266 VanDerWaalsContact O-N 3.14Å; V263-V266 PolarHBondContact O-N 3.1Å; A264-V266 VanDerWaalsContact C-N 3.33Å; A264-V266 PolarHBondContact O-N 2.93Å; V266-V268 VanDerWaalsContact C-N 3.3Å; V266-V268 PolarHBondContact O-N 3.41Å; V266-F269 CarbonylContact O-C 3.49Å; V266-F269 WeakPolarHBondContact O-CA 3.21Å; V266-F269 VanDerWaalsContact O-CB 3.29Å; V266-F269 WeakPolarHBondContact O-CB 3.34Å; V266-F269 PolarHBondContact O-N 3.29Å; V266-L270 HydrophobicContact CG1-CD1 4.39Å; V266-L270 HydrophobicContact CG1-CD2 3.83Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 3.23Å
267L81.1Confident79.4Confident85 Ų8541.4 Ų41.445%0.44521%0.214SC..Hα-helixtrans-57.9-41-179.7-71.2173.8000112.2V263 A264 L270 I271V263-L267 HydrophobicContact CG1-CD1 3.93Å; V263-L267 HydrophobicContact CG1-CG 4.24Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 2.9Å; A264-L267 PolarHBondContact O-N 3.49Å; L267-L270 HydrophobicContact CD2-CD1 4.26Å; L267-L270 PolarHBondContact O-N 3.32Å; L267-I271 WeakPolarHBondContact O-CB 3.45Å; L267-I271 WeakPolarHBondContact O-CD1 3.32Å; L267-I271 WeakPolarHBondContact O-CG1 3.42Å; L267-I271 PolarHBondContact O-N 2.91Å
268V84.8Confident79.9Confident22 Ų2241.7 Ų41.713%0.13322%0.222CC..Hα-helixtrans-63.6-41.1171.81640000111.3A264 V266 L270 F272 R304 L307 L311A264-V268 WeakPolarHBondContact O-CB 3.22Å; A264-V268 WeakPolarHBondContact O-CG2 3.17Å; A264-V268 PolarHBondContact O-N 3.09Å; V266-V268 VanDerWaalsContact C-N 3.3Å; V266-V268 PolarHBondContact O-N 3.41Å; V268-L270 PolarHBondContact O-N 3.33Å; V268-F272 HydrophobicContact CB-CD2 4.47Å; V268-F272 HydrophobicContact CG1-CD2 3.98Å; V268-F272 HydrophobicContact CG1-CE2 4.39Å; V268-F272 HydrophobicContact CG2-CE2 4.49Å; V268-F272 WeakPolarHBondContact O-CB 3.07Å; V268-F272 VanDerWaalsContact O-CD2 3.26Å; V268-F272 WeakPolarHBondContact O-CD2 3.13Å; V268-F272 PolarHBondContact O-N 3.33Å; V268-F272 VanDerWaalsContact O-N 3.09Å; V268-R304 HydrophobicContact CG1-CG 4.48Å; V268-L307 HydrophobicContact CG1-CB 3.87Å; V268-L307 HydrophobicContact CG1-CD1 3.58Å; V268-L307 HydrophobicContact CG1-CG 4.39Å; V268-L307 HydrophobicContact CG2-CD1 4.4Å; V268-L311 HydrophobicContact CB-CD1 4.25Å; V268-L311 HydrophobicContact CG2-CD1 3.95Å
269F79.7Confident80.4Confident8 Ų839.9 Ų39.94%0.03521%0.211CC..Hα-helixtrans-59.2-47.6171.9-162.7-70.6000111.6L137 L140 F223 L265 V266 Q273 R304L137-F269 HydrophobicContact CD1-CE1 4.2Å; L137-F269 HydrophobicContact CD1-CZ 4.06Å; L137-F269 HydrophobicContact CD2-CD1 3.77Å; L137-F269 HydrophobicContact CD2-CE1 3.32Å; L137-F269 HydrophobicContact CD2-CE2 4.15Å; L137-F269 HydrophobicContact CD2-CG 4.39Å; L137-F269 HydrophobicContact CD2-CZ 3.57Å; L137-F269 HydrophobicContact CG-CE1 3.7Å; L137-F269 HydrophobicContact CG-CE2 4.02Å; L137-F269 HydrophobicContact CG-CZ 3.42Å; L137-F269 VanDerWaalsContact CG-CZ 3.42Å; L140-F269 HydrophobicContact CD1-CB 4.09Å; L140-F269 HydrophobicContact CD1-CD2 3.64Å; L140-F269 HydrophobicContact CD1-CG 4.08Å; F223-F269 HydrophobicContact CD2-CD1 4.23Å; F223-F269 AromaticContact CD2-CE1 3.98Å; F223-F269 HydrophobicContact CD2-CE1 3.98Å; F223-F269 HydrophobicContact CE2-CD1 4.01Å; F223-F269 HydrophobicContact CE2-CE1 4.18Å; L265-F269 PolarHBondContact O-N 3.18Å; V266-F269 CarbonylContact O-C 3.49Å; V266-F269 WeakPolarHBondContact O-CA 3.21Å; V266-F269 VanDerWaalsContact O-CB 3.29Å; V266-F269 WeakPolarHBondContact O-CB 3.34Å; V266-F269 PolarHBondContact O-N 3.29Å; F269-Q273 HydrophobicContact CD1-CB 3.87Å; F269-Q273 HydrophobicContact CD1-CG 4.4Å; F269-Q273 HydrophobicContact CE1-CB 3.51Å; F269-Q273 HydrophobicContact CE1-CG 3.54Å; F269-Q273 HydrophobicContact CZ-CB 4.04Å; F269-Q273 HydrophobicContact CZ-CG 3.79Å; F269-Q273 WeakPolarHBondContact O-CB 3.32Å; F269-Q273 PolarHBondContact O-N 3.33Å; F269-R304 VanDerWaalsContact CD2-CD 3.43Å
270L79Confident80.5Confident31 Ų3140.3 Ų40.316%0.16221%0.213CC..Hα-helixtrans-61.3-55.1-180-41.8-174.2000110.7F223 F227 V266 L267 V268 F272 L274F223-L270 HydrophobicContact CE1-CD2 4.33Å; F223-L270 HydrophobicContact CE2-CD2 3.71Å; F223-L270 HydrophobicContact CZ-CB 4.42Å; F223-L270 HydrophobicContact CZ-CD2 3.34Å; F223-L270 HydrophobicContact CZ-CG 4.37Å; F227-L270 HydrophobicContact CD2-CD1 4.19Å; F227-L270 HydrophobicContact CD2-CD2 3.92Å; F227-L270 HydrophobicContact CE2-CD1 3.84Å; F227-L270 HydrophobicContact CE2-CD2 4.41Å; V266-L270 HydrophobicContact CG1-CD1 4.39Å; V266-L270 HydrophobicContact CG1-CD2 3.83Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 3.23Å; L267-L270 HydrophobicContact CD2-CD1 4.26Å; L267-L270 PolarHBondContact O-N 3.32Å; V268-L270 PolarHBondContact O-N 3.33Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 2.96Å; L270-L274 HydrophobicContact CB-CD1 4.12Å; L270-L274 WeakPolarHBondContact O-CB 3.48Å; L270-L274 WeakPolarHBondContact O-CG 3.29Å; L270-L274 PolarHBondContact O-N 3.17Å
271I85.5Confident80.4Confident104 Ų10434.9 Ų34.953%0.53320%0.195SC..Hα-helixtrans-62.5-37.3-172.4-68.8164.9000111.8L267 P275L267-I271 WeakPolarHBondContact O-CB 3.45Å; L267-I271 WeakPolarHBondContact O-CD1 3.32Å; L267-I271 WeakPolarHBondContact O-CG1 3.42Å; L267-I271 PolarHBondContact O-N 2.91Å; I271-P275 WeakPolarHBondContact O-CD 3.47Å; I271-P275 VanDerWaalsContact O-CG 3.23Å; I271-P275 WeakPolarHBondContact O-CG 3.34Å
272F86.5Confident80.5Confident40 Ų4038.2 Ų38.218%0.17521%0.206CC..Hα-helixtrans-94.4-28.5-174.8-71.2-98.3000113.3V268 L270 L300 A301 T303 R304 L307V268-F272 HydrophobicContact CB-CD2 4.47Å; V268-F272 HydrophobicContact CG1-CD2 3.98Å; V268-F272 HydrophobicContact CG1-CE2 4.39Å; V268-F272 HydrophobicContact CG2-CE2 4.49Å; V268-F272 WeakPolarHBondContact O-CB 3.07Å; V268-F272 VanDerWaalsContact O-CD2 3.26Å; V268-F272 WeakPolarHBondContact O-CD2 3.13Å; V268-F272 PolarHBondContact O-N 3.33Å; V268-F272 VanDerWaalsContact O-N 3.09Å; L270-F272 VanDerWaalsContact C-N 3.31Å; L270-F272 PolarHBondContact O-N 2.96Å; F272-L300 WeakPolarHBondContact CB-O 3.31Å; F272-L300 HydrophobicContact CD1-CB 3.98Å; F272-L300 HydrophobicContact CD1-CD2 3.67Å; F272-L300 HydrophobicContact CD1-CG 4.45Å; F272-L300 WeakPolarHBondContact CD1-O 3.31Å; F272-L300 HydrophobicContact CE1-CD2 3.62Å; F272-L300 CarbonylContact O-C 3.59Å; F272-A301 VanDerWaalsContact O-CA 3.24Å; F272-A301 WeakPolarHBondContact O-CA 3.45Å; F272-A301 PolarHBondContact O-N 3.36Å; F272-A301 VanDerWaalsContact O-N 3.16Å; F272-T303 HydrophobicContact CD1-CG2 4.11Å; F272-T303 HydrophobicContact CE1-CG2 3.76Å; F272-R304 HydrophobicContact CB-CB 4.14Å; F272-L307 HydrophobicContact CD1-CD1 4.23Å; F272-L307 HydrophobicContact CD2-CD1 3.98Å; F272-L307 HydrophobicContact CE1-CD1 3.85Å; F272-L307 HydrophobicContact CE2-CD1 3.58Å; F272-L307 HydrophobicContact CG-CD1 4.29Å; F272-L307 HydrophobicContact CZ-CD1 3.51Å
273Q84.2Confident80.4Confident3 Ų342.2 Ų42.21%0.01422%0.223CC..Hα-helixtrans-93.3-41.7180-166.374.144.100113.5Y129 F269 Y276 T277Y129-Q273 PolarHBondContact OH-NE2 2.87Å; F269-Q273 HydrophobicContact CD1-CB 3.87Å; F269-Q273 HydrophobicContact CD1-CG 4.4Å; F269-Q273 HydrophobicContact CE1-CB 3.51Å; F269-Q273 HydrophobicContact CE1-CG 3.54Å; F269-Q273 HydrophobicContact CZ-CB 4.04Å; F269-Q273 HydrophobicContact CZ-CG 3.79Å; F269-Q273 WeakPolarHBondContact O-CB 3.32Å; F269-Q273 PolarHBondContact O-N 3.33Å; Q273-Y276 PolarHBondContact O-N 3.32Å; Q273-T277 PolarHBondContact O-N 3.36Å; Q273-T277 PolarHBondContact O-OG1 3.34Å
274L82.2Confident80Confident63 Ų6341.8 Ų41.833%0.3322%0.218SC..Hα-helixtrans-57.9-44.2-175-80.2178.2000114.1F223 L270 Y276 T277 V278F223-L274 HydrophobicContact CD1-CD2 4.09Å; F223-L274 HydrophobicContact CD2-CD2 4.2Å; F223-L274 HydrophobicContact CE1-CD1 4.16Å; F223-L274 HydrophobicContact CE1-CD2 3.59Å; F223-L274 HydrophobicContact CE1-CG 4.11Å; F223-L274 HydrophobicContact CE2-CD1 4.38Å; F223-L274 HydrophobicContact CE2-CD2 3.68Å; F223-L274 HydrophobicContact CE2-CG 3.73Å; F223-L274 HydrophobicContact CG-CD2 4.38Å; F223-L274 HydrophobicContact CZ-CD1 3.6Å; F223-L274 HydrophobicContact CZ-CD2 3.35Å; F223-L274 HydrophobicContact CZ-CG 3.4Å; L270-L274 HydrophobicContact CB-CD1 4.12Å; L270-L274 WeakPolarHBondContact O-CB 3.48Å; L270-L274 WeakPolarHBondContact O-CG 3.29Å; L270-L274 PolarHBondContact O-N 3.17Å; L274-Y276 PolarHBondContact O-N 2.94Å; L274-T277 PolarHBondContact O-N 3.01Å; L274-V278 WeakPolarHBondContact O-CG2 3.26Å; L274-V278 PolarHBondContact O-N 2.75Å
275P85.4Confident79.4Confident43 Ų4343.6 Ų43.628%0.27923%0.233SC..Hα-helixtrans-57-39.7-176.9-27.837.6000112.1I271 V278 V279 T297I271-P275 WeakPolarHBondContact O-CD 3.47Å; I271-P275 VanDerWaalsContact O-CG 3.23Å; I271-P275 WeakPolarHBondContact O-CG 3.34Å; P275-V278 PolarHBondContact O-N 3.43Å; P275-V279 VanDerWaalsContact O-CG2 3.31Å; P275-V279 WeakPolarHBondContact O-CG2 3.3Å; P275-V279 PolarHBondContact O-N 2.93Å; P275-T297 HydrophobicContact CB-CG2 3.42Å; P275-T297 VanDerWaalsContact CB-CG2 3.42Å
276Y83.6Confident78.7Confident38 Ų3847 Ų4715%0.14927%0.269CS..Hα-helixtrans-68.1-46178.5-176.6-110000112.1Y129 Q273 L274 V278 V279 L280 C298 A301Y129-Y276 HydrophobicContact CE1-CE1 4.08Å; Y129-Y276 AromaticContact CZ-CE1 3.76Å; Y129-Y276 WeakPolarHBondContact OH-CD1 3.44Å; Y129-Y276 WeakPolarHBondContact OH-CE1 3.45Å; Q273-Y276 PolarHBondContact O-N 3.32Å; L274-Y276 PolarHBondContact O-N 2.94Å; Y276-V278 VanDerWaalsContact C-N 3.26Å; Y276-V278 PolarHBondContact O-N 3.39Å; Y276-V279 PolarHBondContact O-N 2.93Å; Y276-L280 HydrophobicContact CE1-CD2 4.28Å; Y276-L280 VanDerWaalsContact O-CB 3.29Å; Y276-L280 WeakPolarHBondContact O-CB 3.35Å; Y276-L280 PolarHBondContact O-N 3.39Å; Y276-C298 HydrophobicContact CD2-CB 3.85Å; Y276-C298 HydrophobicContact CE2-CB 3.69Å; Y276-A301 HydrophobicContact CD1-CB 4.49Å; Y276-A301 HydrophobicContact CG-CB 4.37Å
277T82Confident77.9Confident11 Ų1153.7 Ų53.77%0.06730%0.299CS..Hα-helixtrans-59.2-38.9175.9-52.90000111.7I219 I220 Q273 L274 S281I219-T277 HydrophobicContact CG2-CG2 4.03Å; I220-T277 HydrophobicContact CD1-CG2 4.2Å; I220-T277 HydrophobicContact CG1-CG2 3.62Å; Q273-T277 PolarHBondContact O-N 3.36Å; Q273-T277 PolarHBondContact O-OG1 3.34Å; L274-T277 PolarHBondContact O-N 3.01Å; T277-S281 WeakPolarHBondContact O-CB 2.73Å; T277-S281 PolarHBondContact O-N 3Å; T277-S281 PolarHBondContact O-OG 3.15Å
278V82Confident76.9Confident68 Ų6851.5 Ų51.541%0.41229%0.291SS..Hα-helixtrans-68.2-49.5177.3171.80000111.3L274 P275 Y276 L280 S281 R282L274-V278 WeakPolarHBondContact O-CG2 3.26Å; L274-V278 PolarHBondContact O-N 2.75Å; P275-V278 PolarHBondContact O-N 3.43Å; Y276-V278 VanDerWaalsContact C-N 3.26Å; Y276-V278 PolarHBondContact O-N 3.39Å; V278-L280 VanDerWaalsContact C-N 3.33Å; V278-L280 PolarHBondContact O-N 3.47Å; V278-S281 PolarHBondContact O-N 2.71Å; V278-S281 VanDerWaalsContact O-N 3.15Å; V278-S281 PolarHBondContact O-OG 2.95Å; V278-R282 PolarHBondContact O-N 3.37Å
279V80.3Confident76.1Confident12 Ų1254.9 Ų54.97%0.07331%0.314CS..Hα-helixtrans-57.7-47.3177.3171.70000110.5P275 Y276 S281 R282 K283 E294 T297P275-V279 VanDerWaalsContact O-CG2 3.31Å; P275-V279 WeakPolarHBondContact O-CG2 3.3Å; P275-V279 PolarHBondContact O-N 2.93Å; Y276-V279 PolarHBondContact O-N 2.93Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 3.42Å; V279-R282 PolarHBondContact O-N 2.84Å; V279-K283 PolarHBondContact O-N 3.17Å; V279-E294 HydrophobicContact CG1-CB 4Å; V279-T297 HydrophobicContact CG2-CG2 4.07Å
280L73.4Confident75.7Confident38 Ų3857.6 Ų57.620%0.19933%0.33CS..Hα-helixtrans-63.1-35.6178.1-168.364.4000112.2N216 Y276 V278 I284N216-L280 WeakPolarHBondContact ND2-CG 3.35Å; N216-L280 WeakPolarHBondContact OD1-CD2 3.49Å; Y276-L280 HydrophobicContact CE1-CD2 4.28Å; Y276-L280 VanDerWaalsContact O-CB 3.29Å; Y276-L280 WeakPolarHBondContact O-CB 3.35Å; Y276-L280 PolarHBondContact O-N 3.39Å; V278-L280 VanDerWaalsContact C-N 3.33Å; V278-L280 PolarHBondContact O-N 3.47Å; L280-I284 HydrophobicContact CG-CD1 4.26Å; L280-I284 WeakPolarHBondContact O-CD1 3.36Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.17Å; L280-I284 VanDerWaalsContact O-N 3.1Å
281S75.1Confident75.4Confident42 Ų4257.5 Ų57.529%0.29433%0.329SS..Hα-helixtrans-67.5-38.2173.969.70000113.4N216 T277 V278 V279 I284 A285N216-S281 PolarHBondContact ND2-N 2.81Å; T277-S281 WeakPolarHBondContact O-CB 2.73Å; T277-S281 PolarHBondContact O-N 3Å; T277-S281 PolarHBondContact O-OG 3.15Å; V278-S281 PolarHBondContact O-N 2.71Å; V278-S281 VanDerWaalsContact O-N 3.15Å; V278-S281 PolarHBondContact O-OG 2.95Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 3.42Å; S281-I284 PolarHBondContact O-N 3.45Å; S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.11Å
282R77.1Confident74.8Confident88 Ų8855.4 Ų55.433%0.33232%0.318SS..Hα-helixtrans-68.6-36.2176.6-64.6-171.5-50.5-147.65.2111.8V278 V279 A285 G286 Q287 S288 D290V278-R282 PolarHBondContact O-N 3.37Å; V279-R282 PolarHBondContact O-N 2.84Å; R282-A285 PolarHBondContact O-N 2.91Å; R282-G286 PolarHBondContact O-N 3.4Å; R282-Q287 PolarHBondContact O-N 3.14Å; R282-S288 VanDerWaalsContact CB-OG 3.31Å; R282-S288 WeakPolarHBondContact CB-OG 3.45Å; R282-S288 PolarHBondContact NE-OG 3.1Å; R282-D290 IonicContact NH2-OD2 2.58Å
283K70.9Confident74.4Confident92 Ų9254 Ų5440%0.432%0.315SS..Hα-helixtrans-62-48.1174.4-174.4171.1-179.11710111.5V279 A285 G286 E294V279-K283 PolarHBondContact O-N 3.17Å; K283-A285 VanDerWaalsContact C-N 3.28Å; K283-A285 PolarHBondContact O-N 3.44Å; K283-G286 PolarHBondContact O-N 3.04Å; K283-G286 VanDerWaalsContact O-N 3.15Å; K283-E294 IonicContact NZ-OE1 3.55Å; K283-E294 PolarHBondContact NZ-OE1 3.19Å; K283-E294 IonicContact NZ-OE2 2.82Å; K283-E294 PolarHBondContact NZ-OE2 2.78Å
284I69.2Low74.2Confident48 Ų4855.7 Ų55.725%0.24632%0.323CS..Hα-helixtrans-66.5-29.9176.7-65.5164.6000112.1K212 M213 N216 L280 S281 G286K212-I284 HydrophobicContact CB-CD1 3.88Å; K212-I284 HydrophobicContact CB-CG1 4.04Å; K212-I284 HydrophobicContact CB-CG2 4.12Å; M213-I284 HydrophobicContact CB-CG2 4.21Å; N216-I284 HydrophobicContact CB-CD1 4.3Å; N216-I284 WeakPolarHBondContact ND2-CD1 3.33Å; L280-I284 HydrophobicContact CG-CD1 4.26Å; L280-I284 WeakPolarHBondContact O-CD1 3.36Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.17Å; L280-I284 VanDerWaalsContact O-N 3.1Å; S281-I284 PolarHBondContact O-N 3.45Å; I284-G286 PolarHBondContact O-N 3.11Å
285A68.5Low74.1Confident64 Ų6455.6 Ų55.653%0.52932%0.319SS..THydrogen-bonded Turntrans-79.66.1175.200000114.3S281 R282 K283 Q287S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.11Å; R282-A285 PolarHBondContact O-N 2.91Å; K283-A285 VanDerWaalsContact C-N 3.28Å; K283-A285 PolarHBondContact O-N 3.44Å; A285-Q287 HydrophobicContact CB-CG 4.47Å; A285-Q287 PolarHBondContact O-N 3.05Å; A285-Q287 VanDerWaalsContact O-N 3.14Å
286G65.3Low74Confident73 Ų7357.2 Ų57.275%0.75332%0.324SS*.THydrogen-bonded Turntrans64.314.4-178.600000114.7R282 K283 I284R282-G286 PolarHBondContact O-N 3.4Å; K283-G286 PolarHBondContact O-N 3.04Å; K283-G286 VanDerWaalsContact O-N 3.15Å; I284-G286 PolarHBondContact O-N 3.11Å
287Q60.8Low74.1Confident154 Ų15456 Ų5672%0.7232%0.321SS*.  trans-92.4-21.6-166.4-92.7-175.3-21.100115.3R282 A285R282-Q287 PolarHBondContact O-N 3.14Å; A285-Q287 HydrophobicContact CB-CG 4.47Å; A285-Q287 PolarHBondContact O-N 3.05Å; A285-Q287 VanDerWaalsContact O-N 3.14Å
288S59.8Low74.3Confident40 Ų4056 Ų5628%0.2832%0.32SS..  trans-159.9126.9-175.465.30000113.7R282R282-S288 VanDerWaalsContact CB-OG 3.31Å; R282-S288 WeakPolarHBondContact CB-OG 3.45Å; R282-S288 PolarHBondContact NE-OG 3.1Å
289C66.9Low74.6Confident92 Ų9253.1 Ų53.162%0.62230%0.303SS*.  trans-94.981.8169.7174.10000109.6C38C38-C289 WeakPolarHBondContact CA-SG 3.32Å; C38-C289 HydrophobicContact CB-CB 4.48Å; C38-C289 WeakPolarHBondContact CB-SG 3.44Å; C38-C289 WeakPolarHBondContact SG-CA 3.26Å; C38-C289 WeakPolarHBondContact SG-CB 3.37Å; C38-C289 CovalentContact SG-SG 2.02Å; C38-C289 PolarHBondContact SG-SG 3.29Å
290D72.6Confident75Confident66 Ų6655.3 Ų55.335%0.35331%0.314SS..  trans-116.778.9-177.9176.914.8000110.2R282 G293 E294R282-D290 IonicContact NH2-OD2 2.58Å; D290-G293 PolarHBondContact O-N 3.21Å; D290-G293 WeakPolarHBondContact OD1-CA 3.48Å; D290-G293 PolarHBondContact OD1-N 2.92Å; D290-E294 PolarHBondContact O-N 3.44Å
291L72.1Confident75.7Confident29 Ų2953.5 Ų53.515%0.15231%0.305CS..Hα-helixtrans-65.3-42.8-174.1-167.976.3000112C38 P40 I48 E294 Y295C38-L291 HydrophobicContact CB-CB 4.36Å; C38-L291 HydrophobicContact CB-CD1 4.21Å; P40-L291 HydrophobicContact CB-CD2 3.61Å; P40-L291 HydrophobicContact CG-CD2 4.16Å; I48-L291 HydrophobicContact CD1-CD2 4.49Å; L291-E294 PolarHBondContact O-N 3.47Å; L291-Y295 HydrophobicContact CD1-CD2 4.35Å; L291-Y295 HydrophobicContact CD1-CE2 3.74Å; L291-Y295 HydrophobicContact CD2-CE2 4.09Å; L291-Y295 HydrophobicContact CG-CD2 3.94Å; L291-Y295 HydrophobicContact CG-CE2 3.62Å; L291-Y295 WeakPolarHBondContact O-CD2 3.32Å; L291-Y295 PolarHBondContact O-N 2.86Å; L291-Y295 VanDerWaalsContact O-N 3.14Å
292M73.8Confident76.4Confident59 Ų5951.9 Ų51.929%0.29129%0.292SS..Hα-helixtrans-59.4-46.6174.1-96.2-71-169.300111.5E44 I48 E294 Y295 I296E44-M292 HydrophobicContact CG-CE 3.97Å; E44-M292 HydrophobicContact CG-CG 4.33Å; E44-M292 WeakPolarHBondContact OE1-CG 3.18Å; I48-M292 HydrophobicContact CD1-CE 3.95Å; I48-M292 HydrophobicContact CD1-CG 3.94Å; I48-M292 HydrophobicContact CD1-SD 3.79Å; I48-M292 HydrophobicContact CG1-CE 3.5Å; I48-M292 HydrophobicContact CG1-CG 4.44Å; I48-M292 HydrophobicContact CG1-SD 3.64Å; M292-E294 PolarHBondContact O-N 3.42Å; M292-Y295 PolarHBondContact O-N 2.74Å; M292-I296 WeakPolarHBondContact O-CB 3.37Å; M292-I296 VanDerWaalsContact O-CG1 3.26Å; M292-I296 WeakPolarHBondContact O-CG1 3.28Å; M292-I296 PolarHBondContact O-N 3.17Å; M292-I296 HydrophobicContact SD-CD1 4.25Å
293G77.8Confident77Confident12 Ų1249.1 Ų49.112%0.12429%0.285CS..Hα-helixtrans-59.8-41.9175.300000112.9D290 T297D290-G293 PolarHBondContact O-N 3.21Å; D290-G293 WeakPolarHBondContact OD1-CA 3.48Å; D290-G293 PolarHBondContact OD1-N 2.92Å; G293-T297 VanDerWaalsContact O-CB 3.28Å; G293-T297 WeakPolarHBondContact O-CB 3.5Å; G293-T297 WeakPolarHBondContact O-CG2 3.44Å; G293-T297 PolarHBondContact O-N 3.16Å; G293-T297 PolarHBondContact O-OG1 3.49Å
294E79.7Confident78Confident37 Ų3744.8 Ų44.817%0.17327%0.266CS..Hα-helixtrans-60.2-49.4177.3-173.2172.3-174.700112V279 K283 D290 L291 M292 T297 C298V279-E294 HydrophobicContact CG1-CB 4Å; K283-E294 IonicContact NZ-OE1 3.55Å; K283-E294 PolarHBondContact NZ-OE1 3.19Å; K283-E294 IonicContact NZ-OE2 2.82Å; K283-E294 PolarHBondContact NZ-OE2 2.78Å; D290-E294 PolarHBondContact O-N 3.44Å; L291-E294 PolarHBondContact O-N 3.47Å; M292-E294 PolarHBondContact O-N 3.42Å; E294-T297 PolarHBondContact O-OG1 3.45Å; E294-C298 WeakPolarHBondContact O-CB 3.49Å; E294-C298 PolarHBondContact O-N 3.11Å
295Y80.5Confident78.9Confident62 Ų6242.5 Ų42.524%0.24326%0.255CS..Hα-helixtrans-69-41.5-179.6-73.1-63000113.5I48 Q52 T111 L291 M292 T299I48-Y295 HydrophobicContact CD1-CD2 4.09Å; I48-Y295 HydrophobicContact CG2-CD1 4.17Å; I48-Y295 HydrophobicContact CG2-CD2 3.33Å; I48-Y295 HydrophobicContact CG2-CE2 3.81Å; I48-Y295 HydrophobicContact CG2-CG 3.51Å; Q52-Y295 VanDerWaalsContact OE1-CD1 3.24Å; Q52-Y295 PolarHBondContact OE1-O 3.27Å; T111-Y295 HydrophobicContact CG2-CE1 4.43Å; L291-Y295 HydrophobicContact CD1-CD2 4.35Å; L291-Y295 HydrophobicContact CD1-CE2 3.74Å; L291-Y295 HydrophobicContact CD2-CE2 4.09Å; L291-Y295 HydrophobicContact CG-CD2 3.94Å; L291-Y295 HydrophobicContact CG-CE2 3.62Å; L291-Y295 WeakPolarHBondContact O-CD2 3.32Å; L291-Y295 PolarHBondContact O-N 2.86Å; L291-Y295 VanDerWaalsContact O-N 3.14Å; M292-Y295 PolarHBondContact O-N 2.74Å; Y295-T299 WeakPolarHBondContact O-CB 3.22Å; Y295-T299 PolarHBondContact O-N 2.76Å; Y295-T299 PolarHBondContact O-OG1 2.83Å
296I83.7Confident79.8Confident77 Ų7740 Ų4040%0.39523%0.233SC..Hα-helixtrans-63.3-47.6176.3-68.4167.4000110.4M292 T299 L300M292-I296 WeakPolarHBondContact O-CB 3.37Å; M292-I296 VanDerWaalsContact O-CG1 3.26Å; M292-I296 WeakPolarHBondContact O-CG1 3.28Å; M292-I296 PolarHBondContact O-N 3.17Å; M292-I296 HydrophobicContact SD-CD1 4.25Å; I296-T299 WeakPolarHBondContact O-CB 3.28Å; I296-T299 PolarHBondContact O-N 2.88Å; I296-L300 HydrophobicContact CG2-CD1 4.4Å; I296-L300 WeakPolarHBondContact O-CG 3.28Å; I296-L300 PolarHBondContact O-N 2.85Å
297T85.7Confident80.8Confident13 Ų1338.4 Ų38.48%0.0821%0.207CC..Hα-helixtrans-71-33.1-178.6600000112.7P275 V279 G293 E294 L300 A301P275-T297 HydrophobicContact CB-CG2 3.42Å; P275-T297 VanDerWaalsContact CB-CG2 3.42Å; V279-T297 HydrophobicContact CG2-CG2 4.07Å; G293-T297 VanDerWaalsContact O-CB 3.28Å; G293-T297 WeakPolarHBondContact O-CB 3.5Å; G293-T297 WeakPolarHBondContact O-CG2 3.44Å; G293-T297 PolarHBondContact O-N 3.16Å; G293-T297 PolarHBondContact O-OG1 3.49Å; E294-T297 PolarHBondContact O-OG1 3.45Å; T297-L300 WeakPolarHBondContact O-CB 3.11Å; T297-L300 PolarHBondContact O-N 3.31Å; T297-A301 PolarHBondContact O-N 2.89Å
298C85.9Confident81.8Confident9 Ų931.3 Ų31.36%0.06117%0.174CC..Hα-helixtrans-59-49169.1-175.20000111.1Y276 E294 L300 A301 Y302Y276-C298 HydrophobicContact CD2-CB 3.85Å; Y276-C298 HydrophobicContact CE2-CB 3.69Å; E294-C298 WeakPolarHBondContact O-CB 3.49Å; E294-C298 PolarHBondContact O-N 3.11Å; C298-L300 VanDerWaalsContact C-N 3.3Å; C298-L300 PolarHBondContact O-N 3.26Å; C298-A301 WeakPolarHBondContact O-CB 3.44Å; C298-A301 PolarHBondContact O-N 3.04Å; C298-A301 VanDerWaalsContact O-N 3.07Å; C298-Y302 WeakPolarHBondContact O-CD2 3.27Å; C298-Y302 PolarHBondContact O-N 3.28Å; C298-Y302 VanDerWaalsContact O-N 3.14Å
299T87.4Confident82.8Confident8 Ų829.8 Ų29.85%0.04916%0.163CC..Hα-helixtrans-59.2-39.7177-59.80000112F51 Q52 A55 I59 Y295 I296 Y302 T303F51-T299 HydrophobicContact CE1-CG2 4.36Å; Q52-T299 PolarHBondContact OE1-OG1 3.37Å; A55-T299 HydrophobicContact CB-CG2 3.49Å; A55-T299 VanDerWaalsContact CB-CG2 3.49Å; I59-T299 HydrophobicContact CD1-CG2 4.22Å; Y295-T299 WeakPolarHBondContact O-CB 3.22Å; Y295-T299 PolarHBondContact O-N 2.76Å; Y295-T299 PolarHBondContact O-OG1 2.83Å; I296-T299 WeakPolarHBondContact O-CB 3.28Å; I296-T299 PolarHBondContact O-N 2.88Å; T299-Y302 PolarHBondContact O-N 2.98Å; T299-T303 PolarHBondContact O-N 2.65Å; T299-T303 PolarHBondContact O-OG1 3.29Å
300L88.1Confident83.4Confident58 Ų5828.4 Ų28.430%0.30415%0.149SC..Hα-helixtrans-61.5-47.5172-70.1170.8000111.6F272 I296 T297 C298 Y302 T303 R304F272-L300 WeakPolarHBondContact CB-O 3.31Å; F272-L300 HydrophobicContact CD1-CB 3.98Å; F272-L300 HydrophobicContact CD1-CD2 3.67Å; F272-L300 HydrophobicContact CD1-CG 4.45Å; F272-L300 WeakPolarHBondContact CD1-O 3.31Å; F272-L300 HydrophobicContact CE1-CD2 3.62Å; F272-L300 CarbonylContact O-C 3.59Å; I296-L300 HydrophobicContact CG2-CD1 4.4Å; I296-L300 WeakPolarHBondContact O-CG 3.28Å; I296-L300 PolarHBondContact O-N 2.85Å; T297-L300 WeakPolarHBondContact O-CB 3.11Å; T297-L300 PolarHBondContact O-N 3.31Å; C298-L300 VanDerWaalsContact C-N 3.3Å; C298-L300 PolarHBondContact O-N 3.26Å; L300-Y302 VanDerWaalsContact C-N 3.26Å; L300-Y302 PolarHBondContact O-N 2.77Å; L300-T303 WeakPolarHBondContact O-CA 3.43Å; L300-T303 VanDerWaalsContact O-CB 3.32Å; L300-T303 WeakPolarHBondContact O-CB 3.38Å; L300-T303 PolarHBondContact O-N 2.82Å; L300-R304 PolarHBondContact O-N 2.89Å
301A88.8Confident83.4Confident0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-57.8-38-179.600000112.6F272 Y276 T297 C298 R304F272-A301 VanDerWaalsContact O-CA 3.24Å; F272-A301 WeakPolarHBondContact O-CA 3.45Å; F272-A301 PolarHBondContact O-N 3.36Å; F272-A301 VanDerWaalsContact O-N 3.16Å; Y276-A301 HydrophobicContact CD1-CB 4.49Å; Y276-A301 HydrophobicContact CG-CB 4.37Å; T297-A301 PolarHBondContact O-N 2.89Å; C298-A301 WeakPolarHBondContact O-CB 3.44Å; C298-A301 PolarHBondContact O-N 3.04Å; C298-A301 VanDerWaalsContact O-N 3.07Å; A301-R304 VanDerWaalsContact O-CB 3.25Å; A301-R304 WeakPolarHBondContact O-CB 3.4Å
302Y90.5Very high83.4Confident8 Ų825.8 Ų25.83%0.03113%0.134CC..Hα-helixtrans-71-38172.7-77.8-78.5000113.3F56 L100 L104 Y129 C298 T299 L300 R304 C305F56-Y302 AromaticContact CE1-CD2 3.69Å; F56-Y302 HydrophobicContact CE1-CD2 3.69Å; F56-Y302 HydrophobicContact CE1-CE2 4.36Å; F56-Y302 HydrophobicContact CE1-CG 4.09Å; F56-Y302 HydrophobicContact CZ-CD2 4.14Å; F56-Y302 HydrophobicContact CZ-CE2 4.4Å; L100-Y302 HydrophobicContact CD1-CD1 4.44Å; L100-Y302 HydrophobicContact CD1-CE1 3.61Å; L100-Y302 HydrophobicContact CD2-CD1 4.02Å; L100-Y302 HydrophobicContact CD2-CE1 3.91Å; L100-Y302 HydrophobicContact CG-CD1 4.05Å; L100-Y302 HydrophobicContact CG-CE1 3.71Å; L104-Y302 HydrophobicContact CD2-CD1 3.39Å; L104-Y302 HydrophobicContact CD2-CD2 4.34Å; L104-Y302 HydrophobicContact CD2-CE1 3.69Å; L104-Y302 HydrophobicContact CD2-CG 3.74Å; L104-Y302 HydrophobicContact CG-CD1 4.17Å; L104-Y302 HydrophobicContact CG-CE1 4.47Å; Y129-Y302 HydrophobicContact CD2-CE1 4.15Å; Y129-Y302 HydrophobicContact CD2-CE2 4.22Å; Y129-Y302 AromaticContact CD2-CZ 3.73Å; Y129-Y302 HydrophobicContact CE2-CE2 4.2Å; C298-Y302 WeakPolarHBondContact O-CD2 3.27Å; C298-Y302 PolarHBondContact O-N 3.28Å; C298-Y302 VanDerWaalsContact O-N 3.14Å; T299-Y302 PolarHBondContact O-N 2.98Å; L300-Y302 VanDerWaalsContact C-N 3.26Å; L300-Y302 PolarHBondContact O-N 2.77Å; Y302-R304 PolarHBondContact O-N 3.33Å; Y302-R304 VanDerWaalsContact O-N 3.13Å; Y302-C305 WeakPolarHBondContact O-CB 3.36Å; Y302-C305 PolarHBondContact O-N 2.88Å; Y302-C305 PolarHBondContact O-SG 3.42Å; Y302-C305 VanDerWaalsContact O-SG 3.39Å
303T90Very high83.1Confident30 Ų3024.7 Ų24.718%0.18414%0.135CC..Hα-helixtrans-56-30.6177.9-57.50000112.4I59 F272 T299 L300 C305 C306 L307I59-T303 VanDerWaalsContact CD1-OG1 3.28Å; I59-T303 WeakPolarHBondContact CD1-OG1 3.29Å; F272-T303 HydrophobicContact CD1-CG2 4.11Å; F272-T303 HydrophobicContact CE1-CG2 3.76Å; T299-T303 PolarHBondContact O-N 2.65Å; T299-T303 PolarHBondContact O-OG1 3.29Å; L300-T303 WeakPolarHBondContact O-CA 3.43Å; L300-T303 VanDerWaalsContact O-CB 3.32Å; L300-T303 WeakPolarHBondContact O-CB 3.38Å; L300-T303 PolarHBondContact O-N 2.82Å; T303-C305 PolarHBondContact O-N 2.87Å; T303-C306 PolarHBondContact O-N 2.94Å; T303-C306 VanDerWaalsContact O-N 3.13Å; T303-C306 PolarHBondContact O-SG 3.36Å; T303-L307 HydrophobicContact CG2-CD1 4.19Å; T303-L307 HydrophobicContact CG2-CG 4.34Å; T303-L307 PolarHBondContact O-N 3.38Å
304R90.1Very high82.4Confident2 Ų229.2 Ų29.21%0.00816%0.155CC..Hα-helixtrans-46.2-38.4172-172.7176.857.363-7.3113.5D97 N132 V268 F269 F272 L300 A301 Y302 C306 L307D97-R304 IonicContact OD1-NH1 2.74Å; D97-R304 PolarHBondContact OD1-NH1 2.93Å; N132-R304 PolarHBondContact ND2-NH2 2.86Å; V268-R304 HydrophobicContact CG1-CG 4.48Å; F269-R304 VanDerWaalsContact CD2-CD 3.43Å; F272-R304 HydrophobicContact CB-CB 4.14Å; L300-R304 PolarHBondContact O-N 2.89Å; A301-R304 VanDerWaalsContact O-CB 3.25Å; A301-R304 WeakPolarHBondContact O-CB 3.4Å; Y302-R304 PolarHBondContact O-N 3.33Å; Y302-R304 VanDerWaalsContact O-N 3.13Å; R304-C306 VanDerWaalsContact C-N 3.35Å; R304-C306 PolarHBondContact O-N 3.15Å; R304-L307 PolarHBondContact O-N 2.99Å
305C89.9Confident81.3Confident0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-71.8-24.6-173.3-510000113.4N67 D97 L101 Y302 T303N67-C305 PolarHBondContact ND2-O 2.81Å; D97-C305 HydrophobicContact CB-CB 4.03Å; D97-C305 PolarHBondContact OD1-SG 2.67Å; L101-C305 HydrophobicContact CD1-CB 4.27Å; L101-C305 HydrophobicContact CD2-CB 4.1Å; L101-C305 HydrophobicContact CG-CB 4.1Å; Y302-C305 WeakPolarHBondContact O-CB 3.36Å; Y302-C305 PolarHBondContact O-N 2.88Å; Y302-C305 PolarHBondContact O-SG 3.42Å; Y302-C305 VanDerWaalsContact O-SG 3.39Å; T303-C305 PolarHBondContact O-N 2.87Å
306C87.5Confident80.3Confident12 Ų1227 Ų278%0.08115%0.154CC..Hα-helixtrans-91.2-22.8175.873.30000112.9V62 T303 R304 I310V62-C306 HydrophobicContact CB-CB 4.44Å; V62-C306 HydrophobicContact CG1-CB 4.15Å; T303-C306 PolarHBondContact O-N 2.94Å; T303-C306 VanDerWaalsContact O-N 3.13Å; T303-C306 PolarHBondContact O-SG 3.36Å; R304-C306 VanDerWaalsContact C-N 3.35Å; R304-C306 PolarHBondContact O-N 3.15Å; C306-I310 WeakPolarHBondContact O-CD1 3.44Å; C306-I310 WeakPolarHBondContact O-CG1 3.26Å
307L84.6Confident78.9Confident38 Ų3826.2 Ų26.220%0.19915%0.153CC..Hα-helixtrans-72-28.1178.9-66.8174.2000113.4V268 F272 T303 R304 I310 L311V268-L307 HydrophobicContact CG1-CB 3.87Å; V268-L307 HydrophobicContact CG1-CD1 3.58Å; V268-L307 HydrophobicContact CG1-CG 4.39Å; V268-L307 HydrophobicContact CG2-CD1 4.4Å; F272-L307 HydrophobicContact CD1-CD1 4.23Å; F272-L307 HydrophobicContact CD2-CD1 3.98Å; F272-L307 HydrophobicContact CE1-CD1 3.85Å; F272-L307 HydrophobicContact CE2-CD1 3.58Å; F272-L307 HydrophobicContact CG-CD1 4.29Å; F272-L307 HydrophobicContact CZ-CD1 3.51Å; T303-L307 HydrophobicContact CG2-CD1 4.19Å; T303-L307 HydrophobicContact CG2-CG 4.34Å; T303-L307 PolarHBondContact O-N 3.38Å; R304-L307 PolarHBondContact O-N 2.99Å; L307-I310 PolarHBondContact O-N 3.11Å; L307-L311 WeakPolarHBondContact O-CG 3.18Å; L307-L311 PolarHBondContact O-N 3.44Å
308N82.4Confident77.5Confident5 Ų534.7 Ų34.73%0.02718%0.183CC..Hα-helixtrans-56-58.4179-77.9-22.1000112.4D97 I310 L311 Y312D97-N308 PolarHBondContact OD2-ND2 3Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.31Å; N308-L311 PolarHBondContact O-N 3.38Å; N308-Y312 VanDerWaalsContact C-CE2 3.49Å; N308-Y312 HydrophobicContact CB-CE2 4.12Å; N308-Y312 WeakPolarHBondContact O-CD2 3.26Å; N308-Y312 VanDerWaalsContact O-CE2 3.23Å; N308-Y312 WeakPolarHBondContact O-CE2 3.42Å; N308-Y312 PolarHBondContact O-N 3Å; N308-Y312 VanDerWaalsContact O-N 3.16Å
309P81.9Confident76Confident8 Ų835.6 Ų35.65%0.05219%0.186CC..Hα-helixtrans-53.9-41.6171.8-28.334.2000114.8G66 N67 V70 L311 Y312 A313G66-P309 VanDerWaalsContact C-CG 3.47Å; N67-P309 WeakPolarHBondContact OD1-CG 3.4Å; V70-P309 HydrophobicContact CG2-CB 4.17Å; V70-P309 HydrophobicContact CG2-CG 4.24Å; P309-L311 PolarHBondContact O-N 3.15Å; P309-Y312 PolarHBondContact O-N 2.82Å; P309-A313 PolarHBondContact O-N 3.38Å
310I78Confident74.8Confident64 Ų6440.5 Ų40.533%0.32820%0.204SC..Hα-helixtrans-64-41.7-178.8-64.9171.4000110.4V62 C306 L307 N308 A313 L314V62-I310 HydrophobicContact CG1-CD1 4.12Å; C306-I310 WeakPolarHBondContact O-CD1 3.44Å; C306-I310 WeakPolarHBondContact O-CG1 3.26Å; L307-I310 PolarHBondContact O-N 3.11Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.31Å; I310-A313 PolarHBondContact O-N 3.17Å; I310-L314 HydrophobicContact CG2-CD1 3.63Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 WeakPolarHBondContact O-CB 3.42Å; I310-L314 WeakPolarHBondContact O-CG 3.27Å; I310-L314 PolarHBondContact O-N 3.11Å
311L73.6Confident73.6Confident26 Ų2644.7 Ų44.714%0.13622%0.22CC..Hα-helixtrans-65-37.2174.7-73.3172.1000112.4A264 L265 V268 L307 N308 P309 V315A264-L311 HydrophobicContact CB-CD2 4.2Å; L265-L311 HydrophobicContact CD2-CB 4.2Å; L265-L311 HydrophobicContact CD2-CD1 3.75Å; L265-L311 HydrophobicContact CG-CD1 4.41Å; V268-L311 HydrophobicContact CB-CD1 4.25Å; V268-L311 HydrophobicContact CG2-CD1 3.95Å; L307-L311 WeakPolarHBondContact O-CG 3.18Å; L307-L311 PolarHBondContact O-N 3.44Å; N308-L311 PolarHBondContact O-N 3.38Å; P309-L311 PolarHBondContact O-N 3.15Å; L311-V315 HydrophobicContact CD2-CG2 4.45Å; L311-V315 WeakPolarHBondContact O-CB 3.49Å; L311-V315 WeakPolarHBondContact O-CG2 3.04Å; L311-V315 PolarHBondContact O-N 2.91Å
312Y71.1Confident72.3Confident14 Ų1445.9 Ų45.96%0.05523%0.226CC..Hα-helixtrans-65.2-41.2174.1-53.7-39.1000112V70 L90 L93 L261 L265 N308 P309 G316V70-Y312 HydrophobicContact CG2-CD2 4.32Å; L90-Y312 HydrophobicContact CD2-CD1 4.38Å; L90-Y312 HydrophobicContact CD2-CE1 3.52Å; L90-Y312 HydrophobicContact CD2-CE2 3.99Å; L90-Y312 VanDerWaalsContact CD2-OH 3.27Å; L90-Y312 WeakPolarHBondContact CD2-OH 2.92Å; L93-Y312 WeakPolarHBondContact CD2-OH 3.45Å; L261-Y312 HydrophobicContact CD2-CD1 4.15Å; L261-Y312 HydrophobicContact CD2-CE1 4.19Å; L265-Y312 HydrophobicContact CD1-CE1 3.91Å; L265-Y312 HydrophobicContact CD2-CE1 3.72Å; L265-Y312 HydrophobicContact CG-CE1 4.35Å; N308-Y312 VanDerWaalsContact C-CE2 3.49Å; N308-Y312 HydrophobicContact CB-CE2 4.12Å; N308-Y312 WeakPolarHBondContact O-CD2 3.26Å; N308-Y312 VanDerWaalsContact O-CE2 3.23Å; N308-Y312 WeakPolarHBondContact O-CE2 3.42Å; N308-Y312 PolarHBondContact O-N 3Å; N308-Y312 VanDerWaalsContact O-N 3.16Å; P309-Y312 PolarHBondContact O-N 2.82Å; Y312-G316 WeakPolarHBondContact O-CA 3.16Å; Y312-G316 PolarHBondContact O-N 2.94Å
313A67.5Low71Confident36 Ų3646.3 Ų46.330%0.29823%0.229SC..Hα-helixtrans-65-59.1173.400000111.1P309 I310 V315 F319 R320P309-A313 PolarHBondContact O-N 3.38Å; I310-A313 PolarHBondContact O-N 3.17Å; A313-V315 PolarHBondContact O-N 2.89Å; A313-F319 HydrophobicContact CB-CD1 4.45Å; A313-R320 WeakPolarHBondContact O-CD 3.44Å; A313-R320 WeakPolarHBondContact O-CG 3.49Å; A313-R320 PolarHBondContact O-NE 3.24Å
314L62.8Low69.8Low106 Ų10650.4 Ų50.456%0.55525%0.249SC*.Hα-helixtrans-64.6-34.6-174.3-66.1-178.8000113.1I310 R320I310-L314 HydrophobicContact CG2-CD1 3.63Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 WeakPolarHBondContact O-CB 3.42Å; I310-L314 WeakPolarHBondContact O-CG 3.27Å; I310-L314 PolarHBondContact O-N 3.11Å; L314-R320 PolarHBondContact O-NH2 3.49Å
315V57.9Low68.8Low37 Ų3754.3 Ų54.322%0.22427%0.268CS..Hα-helixtrans-103.1-23.7-176.1-164.90000112.8R257 L261 L311 A313R257-V315 HydrophobicContact CG-CG1 4.47Å; R257-V315 VanDerWaalsContact CZ-O 3.27Å; R257-V315 PolarHBondContact NE-O 3.48Å; R257-V315 PolarHBondContact NH2-O 3.33Å; L261-V315 HydrophobicContact CB-CB 4.12Å; L261-V315 HydrophobicContact CB-CG1 3.61Å; L261-V315 HydrophobicContact CD1-CB 3.74Å; L261-V315 HydrophobicContact CD1-CG1 3.97Å; L261-V315 HydrophobicContact CG-CB 3.84Å; L261-V315 HydrophobicContact CG-CG1 3.93Å; L311-V315 HydrophobicContact CD2-CG2 4.45Å; L311-V315 WeakPolarHBondContact O-CB 3.49Å; L311-V315 WeakPolarHBondContact O-CG2 3.04Å; L311-V315 PolarHBondContact O-N 2.91Å; A313-V315 PolarHBondContact O-N 2.89Å
316G58Low67.6Low16 Ų1655.9 Ų55.917%0.16528%0.276CS..  trans-10199.6-175.900000116.3Y312 R318 F319 R320Y312-G316 WeakPolarHBondContact O-CA 3.16Å; Y312-G316 PolarHBondContact O-N 2.94Å; G316-R318 VanDerWaalsContact C-N 3.25Å; G316-R318 PolarHBondContact O-N 2.9Å; G316-R318 VanDerWaalsContact O-N 3.17Å; G316-F319 PolarHBondContact O-N 3.33Å; G316-F319 VanDerWaalsContact O-N 3.12Å; G316-R320 PolarHBondContact O-N 2.97Å
317V55.5Low66.6Low61 Ų6161.5 Ų61.537%0.3730%0.302SS..Hα-helixtrans-55.8-36.2176.9-173.20000113.3K321V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 3.27Å
318R56.2Low65.7Low190 Ų19065.7 Ų65.772%0.71732%0.321SS*.Hα-helixtrans-68.9-41.9179.5-63.4-175.3-164.2171.16.3111.8G316 K321 D322G316-R318 VanDerWaalsContact C-N 3.25Å; G316-R318 PolarHBondContact O-N 2.9Å; G316-R318 VanDerWaalsContact O-N 3.17Å; R318-K321 PolarHBondContact O-N 2.91Å; R318-D322 VanDerWaalsContact O-CG 3.31Å; R318-D322 PolarHBondContact O-N 2.96Å
319F54.4Low64.9Low28 Ų2868.8 Ų68.812%0.12334%0.337CS..Hα-helixtrans-65.7-42.1176.4-172.2-105.2000111V70 T73 A313 G316 K321 D322 V323V70-F319 HydrophobicContact CB-CZ 4.38Å; V70-F319 HydrophobicContact CG2-CE1 4.39Å; V70-F319 HydrophobicContact CG2-CE2 4.07Å; V70-F319 HydrophobicContact CG2-CZ 3.56Å; T73-F319 HydrophobicContact CG2-CE2 4.3Å; A313-F319 HydrophobicContact CB-CD1 4.45Å; G316-F319 PolarHBondContact O-N 3.33Å; G316-F319 VanDerWaalsContact O-N 3.12Å; F319-K321 VanDerWaalsContact C-N 3.31Å; F319-K321 PolarHBondContact O-N 3.14Å; F319-D322 PolarHBondContact O-N 3.5Å; F319-V323 HydrophobicContact CD1-CG2 4.02Å; F319-V323 HydrophobicContact CD2-CG2 4.4Å; F319-V323 HydrophobicContact CE1-CG2 3.61Å; F319-V323 HydrophobicContact CE2-CG2 4.02Å; F319-V323 HydrophobicContact CG-CG2 4.39Å; F319-V323 HydrophobicContact CZ-CG2 3.6Å; F319-V323 WeakPolarHBondContact O-CB 3.42Å; F319-V323 WeakPolarHBondContact O-CG2 3.44Å; F319-V323 PolarHBondContact O-N 3.46Å
320R62.8Low63.8Low112 Ų11272.9 Ų72.942%0.42337%0.366SS..Hα-helixtrans-55.7-43.8170.8-62.1-164.5-156.8-170.95.2112.7A313 L314 G316 V323 L324A313-R320 WeakPolarHBondContact O-CD 3.44Å; A313-R320 WeakPolarHBondContact O-CG 3.49Å; A313-R320 PolarHBondContact O-NE 3.24Å; L314-R320 PolarHBondContact O-NH2 3.49Å; G316-R320 PolarHBondContact O-N 2.97Å; R320-V323 PolarHBondContact O-N 2.99Å; R320-L324 HydrophobicContact CB-CD1 4.38Å; R320-L324 WeakPolarHBondContact O-CB 3.35Å; R320-L324 WeakPolarHBondContact O-CD1 3.35Å; R320-L324 PolarHBondContact O-N 2.88Å
321K61.3Low62.8Low146 Ų14672.6 Ų72.664%0.63538%0.379SS*.Hα-helixtrans-65.7-45.8178.7-75.3-172.9175.9-163.40111.9V317 R318 F319 V323 Q325V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 3.27Å; R318-K321 PolarHBondContact O-N 2.91Å; F319-K321 VanDerWaalsContact C-N 3.31Å; F319-K321 PolarHBondContact O-N 3.14Å; K321-V323 VanDerWaalsContact C-N 3.31Å; K321-V323 PolarHBondContact O-N 3.3Å; K321-Q325 VanDerWaalsContact O-CB 3.24Å; K321-Q325 WeakPolarHBondContact O-CB 3.26Å; K321-Q325 PolarHBondContact O-N 2.99Å
322D62Low61.6Low25 Ų2574.2 Ų74.213%0.13439%0.392CS..Hα-helixtrans-60.6-40.7176.4-65.4-8.3000111.1T73 Y77 R78 R318 F319 L326T73-D322 HydrophobicContact CG2-CB 3.76Å; Y77-D322 HydrophobicContact CD1-CB 4.07Å; Y77-D322 HydrophobicContact CE1-CB 4.28Å; Y77-D322 WeakPolarHBondContact CE1-OD1 3.31Å; R78-D322 IonicContact CZ-OD2 3.9Å; R78-D322 IonicContact NE-OD2 2.69Å; R78-D322 PolarHBondContact NE-OD2 3.42Å; R78-D322 IonicContact NH2-OD2 2.9Å; R78-D322 PolarHBondContact NH2-OD2 3.14Å; R318-D322 VanDerWaalsContact O-CG 3.31Å; R318-D322 PolarHBondContact O-N 2.96Å; F319-D322 PolarHBondContact O-N 3.5Å; D322-L326 PolarHBondContact O-N 3.29Å; D322-L326 VanDerWaalsContact O-N 3.08Å
323V63Low60.7Low16 Ų1678.8 Ų78.810%0.09742%0.423CS..Hα-helixtrans-72.6-46.9178.4166.70000113.3L69 F319 R320 K321 Q325 L326 M327L69-V323 HydrophobicContact CD1-CG1 4.43Å; L69-V323 HydrophobicContact CD1-CG2 4.48Å; L69-V323 HydrophobicContact CD2-CG1 3.89Å; L69-V323 HydrophobicContact CD2-CG2 4.09Å; L69-V323 HydrophobicContact CG-CG2 4.18Å; F319-V323 HydrophobicContact CD1-CG2 4.02Å; F319-V323 HydrophobicContact CD2-CG2 4.4Å; F319-V323 HydrophobicContact CE1-CG2 3.61Å; F319-V323 HydrophobicContact CE2-CG2 4.02Å; F319-V323 HydrophobicContact CG-CG2 4.39Å; F319-V323 HydrophobicContact CZ-CG2 3.6Å; F319-V323 WeakPolarHBondContact O-CB 3.42Å; F319-V323 WeakPolarHBondContact O-CG2 3.44Å; F319-V323 PolarHBondContact O-N 3.46Å; R320-V323 PolarHBondContact O-N 2.99Å; K321-V323 VanDerWaalsContact C-N 3.31Å; K321-V323 PolarHBondContact O-N 3.3Å; V323-Q325 PolarHBondContact O-N 2.02Å; V323-L326 WeakPolarHBondContact O-CB 3.39Å; V323-L326 PolarHBondContact O-N 2.58Å; V323-L326 VanDerWaalsContact O-N 3.16Å; V323-M327 HydrophobicContact CG1-SD 4.28Å; V323-M327 WeakPolarHBondContact O-CG 3.25Å; V323-M327 PolarHBondContact O-N 3.39Å
324L65.8Low59.8Low117 Ų11782.9 Ų82.961%0.61345%0.448SS*.Hα-helixtrans-61.5-36.3176.2-96.292.5000110.9R320 M327 H328R320-L324 HydrophobicContact CB-CD1 4.38Å; R320-L324 WeakPolarHBondContact O-CB 3.35Å; R320-L324 WeakPolarHBondContact O-CD1 3.35Å; R320-L324 PolarHBondContact O-N 2.88Å; L324-M327 PolarHBondContact O-N 3.01Å; L324-H328 VanDerWaalsContact O-CB 3.27Å; L324-H328 WeakPolarHBondContact O-CB 3.47Å; L324-H328 PolarHBondContact O-N 3.41Å
325Q67.9Low59Low84 Ų8487.2 Ų87.239%0.39346%0.457SS..Hα-helixtrans-67.4-39.3176-172.8148.4600111.7Y77 K321 V323 H328 D329Y77-Q325 HydrophobicContact CE2-CG 4.1Å; Y77-Q325 PolarHBondContact OH-OE1 2.74Å; K321-Q325 VanDerWaalsContact O-CB 3.24Å; K321-Q325 WeakPolarHBondContact O-CB 3.26Å; K321-Q325 PolarHBondContact O-N 2.99Å; V323-Q325 PolarHBondContact O-N 2.02Å; Q325-H328 PolarHBondContact O-N 2.86Å; Q325-D329 VanDerWaalsContact O-CB 3.3Å; Q325-D329 WeakPolarHBondContact O-CB 3.2Å; Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 3.36Å
326L65.3Low58.2Low32 Ų3292.9 Ų92.917%0.16849%0.485CS..Hα-helixtrans-60.6-46.4171.1-177.563.9000112L69 L76 D322 V323 H328 S330L69-L326 HydrophobicContact CD1-CD2 3.85Å; L76-L326 HydrophobicContact CD1-CD1 4.24Å; D322-L326 PolarHBondContact O-N 3.29Å; D322-L326 VanDerWaalsContact O-N 3.08Å; V323-L326 WeakPolarHBondContact O-CB 3.39Å; V323-L326 PolarHBondContact O-N 2.58Å; V323-L326 VanDerWaalsContact O-N 3.16Å; L326-H328 PolarHBondContact O-N 3.47Å; L326-S330 VanDerWaalsContact O-CB 3.3Å; L326-S330 WeakPolarHBondContact O-CB 3.17Å; L326-S330 PolarHBondContact O-N 3.07Å; L326-S330 PolarHBondContact O-OG 2.6Å
327M66.6Low57.4Low130 Ų130100.3 Ų100.364%0.6452%0.516SS*.Hα-helixtrans-62.3-41.6177-68.4178.769.700112.6V323 L324 G331V323-M327 HydrophobicContact CG1-SD 4.28Å; V323-M327 WeakPolarHBondContact O-CG 3.25Å; V323-M327 PolarHBondContact O-N 3.39Å; L324-M327 PolarHBondContact O-N 3.01Å; M327-G331 PolarHBondContact O-N 2.9Å
328H66.6Low56.7Low127 Ų127104.7 Ų104.759%0.58854%0.536SS*.Hα-helixtrans-68.1-45.3178.2-178.2-80.4000112.4L324 Q325 L326 S330 G331 C332L324-H328 VanDerWaalsContact O-CB 3.27Å; L324-H328 WeakPolarHBondContact O-CB 3.47Å; L324-H328 PolarHBondContact O-N 3.41Å; Q325-H328 PolarHBondContact O-N 2.86Å; L326-H328 PolarHBondContact O-N 3.47Å; H328-S330 VanDerWaalsContact C-N 3.26Å; H328-S330 PolarHBondContact O-N 3.15Å; H328-G331 PolarHBondContact O-N 3.22Å; H328-G331 VanDerWaalsContact O-N 3.12Å; H328-C332 PolarHBondContact O-N 3.03Å
329D64.2Low55.9Low70 Ų70104.5 Ų104.537%0.37454%0.541SS..Hα-helixtrans-69.7-25.9178.9-69.9-15.5000111.6Q325 G331Q325-D329 VanDerWaalsContact O-CB 3.3Å; Q325-D329 WeakPolarHBondContact O-CB 3.2Å; Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 3.36Å; D329-G331 VanDerWaalsContact C-N 3.33Å
330S60.2Low55Low93 Ų93110.5 Ų110.565%0.6557%0.573SS**Hα-helixtrans-73.8-22171.8-54.90000113.2L326 H328L326-S330 VanDerWaalsContact O-CB 3.3Å; L326-S330 WeakPolarHBondContact O-CB 3.17Å; L326-S330 PolarHBondContact O-N 3.07Å; L326-S330 PolarHBondContact O-OG 2.6Å; H328-S330 VanDerWaalsContact C-N 3.26Å; H328-S330 PolarHBondContact O-N 3.15Å
331G55.4Low53.7Low58 Ų58113.8 Ų113.860%0.59859%0.593SS**THydrogen-bonded Turntrans-87.9-8.5175.700000114.9M327 H328 D329 P333M327-G331 PolarHBondContact O-N 2.9Å; H328-G331 PolarHBondContact O-N 3.22Å; H328-G331 VanDerWaalsContact O-N 3.12Å; D329-G331 VanDerWaalsContact C-N 3.33Å; G331-P333 WeakPolarHBondContact O-CD 3.41Å
332C49Very low52.4Low61 Ų61111.8 Ų111.841%0.41260%0.597SS.*  trans-120.581.9-176-76.90000112.3H328 C334 R335H328-C332 PolarHBondContact O-N 3.03Å; C332-C334 PolarHBondContact O-N 3.39Å; C332-R335 PolarHBondContact O-N 3.13Å
333P52.7Low51.2Low110 Ų110116.3 Ų116.371%0.71463%0.626SS**G310 helixtrans-60.2-23.2-175.222-32.7000114.5G331 R335G331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-R335 PolarHBondContact O-N 3.06Å; P333-R335 VanDerWaalsContact O-N 3.15Å
334C47.4Very low49.7Very low121 Ų121124.3 Ų124.382%0.81866%0.662SS**G310 helixtrans-67.8-11.9-175.9-57.90000115.5C332C332-C334 PolarHBondContact O-N 3.39Å
335R46.4Very low48.2Very low198 Ų198124.3 Ų124.375%0.74767%0.672SS**G310 helixtrans-98.6-11.4-172.6-133177.3-170.2-126.8-0.7115.7C332 P333C332-R335 PolarHBondContact O-N 3.13Å; P333-R335 PolarHBondContact O-N 3.06Å; P333-R335 VanDerWaalsContact O-N 3.15Å
336L41.5Very low46.4Very low156 Ų156127.5 Ų127.582%0.81770%0.697SS**SBendtrans-77.9-32.7-175.8-161.466.9000112.9
337Q41.1Very low44.9Very low171 Ų171131.8 Ų131.880%0.79973%0.73SS**SBendtrans-79.4-34.6-178.4-71.6-168.9-21.100114.1K339 L340Q337-K339 PolarHBondContact O-N 3.06Å; Q337-L340 PolarHBondContact O-N 3.44Å
338L40.3Very low43.4Very low154 Ų154133.7 Ų133.781%0.80674%0.741SS**THydrogen-bonded Turntrans-65.6-14.6-172.8-148.990000114.3
339K39.1Very low41.6Very low185 Ų185133.4 Ų133.480%0.80475%0.753SS**THydrogen-bonded Turntrans-100.7-5.7-176.9-145170.9-171.4172.50114.5Q337Q337-K339 PolarHBondContact O-N 3.06Å
340L36.8Very low40.3Very low155 Ų155134.5 Ų134.581%0.81277%0.772SS**THydrogen-bonded Turntrans-86-25.1179.4-164.163.2000112.5Q337Q337-L340 PolarHBondContact O-N 3.44Å
341H34.1Very low38.9Very low180 Ų180135.8 Ų135.883%0.83378%0.781SS**SBendtrans-94.8-7.2-169.1-132.9-51.3000116.1
342S34.2Very low37.8Very low104 Ų104138.6 Ų138.673%0.72779%0.791SS**SBendtrans-91.88.3-172.6-173.60000114.9
343V36.9Very low37.6Very low120 Ų120142 Ų14273%0.72781%0.813SS**SBendtrans-127.557.2-176-164.90000111.2
344H33.3Very low36.7Very low184 Ų184141.1 Ų141.185%0.85282%0.815SS**SBendtrans-157.377.8159.6-110-75.9000110.1
345S32.7Very low35.9Very low118 Ų118143.2 Ų143.283%0.82582%0.817SS**  trans-175.485.1160.2-83.20000110.1
346T31.6Very low35.1Very low150 Ų150139.4 Ų139.492%0.9282%0.816SS**  trans-144.187.6163.419.30000108.8
347S32Very low34.7Very low123 Ų123137.8 Ų137.886%0.8681%0.812SS**  trans-114.8133.9160.1510000108.6
348I36.8Very low34.1Very low170 Ų170137.6 Ų137.687%0.87282%0.816SS**  trans-90.4140.2-172.2-63.7159.2000109.3
349S27.9Very low33.6Very low120 Ų120134.8 Ų134.884%0.83981%0.809SS**  trans-158.9156.8137.3-154.10000111.3
350A37Very low33.1Very low93 Ų93132.2 Ų132.277%0.76981%0.808SS**  trans-134.4124.9-175.800000111.5
351S31.2Very low32.7Very low121 Ų121131.1 Ų131.185%0.84681%0.808SS**  trans-164.9125.7163.753.70000110.8
352S31.3Very low32.4Very low117 Ų117127.8 Ų127.882%0.81881%0.805SS**  trans-65175.1174.2-56.60000112.7
353P44.3Very low32.6Very low132 Ų132128.2 Ų128.286%0.85781%0.805SS**  cis-138-164.21841.1-19.2000116.8
354A35.2Very low32.2Very low92 Ų92128.8 Ų128.876%0.7681%0.809SS**  trans-83.9160-16100000116.7
355L29.3Very low32Very low165 Ų165124.7 Ų124.786%0.86480%0.801SS**  trans-153.7115.7156.3-125.6136.2000114.5
356T30.2Very low32.4Very low117 Ų117124.3 Ų124.372%0.71880%0.796SS**  trans12.1123.8142-400000121.5
357V34.1Very low32.2Very low123 Ų123123.8 Ų123.875%0.74579%0.787SS**  trans36.6123.6139.3-174.80000120.2
358L27.8Very low32Very low167 Ų167130 Ų13087%0.87479%0.792SS**  -160.9141.2127.2-112.5153.5000113.5
359S30Very low31.5Very low95 Ų95127.2 Ų127.266%0.66479%0.788SS**  trans-106.2129.8-178.653.20000112
360V27.8Very low31.4Very low131 Ų131127.7 Ų127.779%0.79479%0.789SS**  trans-14799.1163.8-1740000106.3
361V28.8Very low31Very low131 Ų131128.1 Ų128.179%0.79479%0.787SS**  64.4108.288.21780000113.5
362S27.9Very low30.9Very low110 Ų110126.3 Ų126.377%0.76977%0.774SS**  trans-71157.1164.9-39.80000111.1
363P39Very low30.9Very low114 Ų114131 Ų13174%0.7477%0.774SS**  -141.3-178.685.740.7-25.4000111.7
364T28Very low30.2Very low132 Ų132131.5 Ų131.581%0.8177%0.769SS**  cis-155.6151.318.5-8.70000107.9
365S28.8Very low29.8Very low97 Ų97130.4 Ų130.468%0.67877%0.767SS**  trans-85.9174.7160.262.40000110.4
366P42.2Very low29.8Very low111 Ų111130.9 Ų130.972%0.72177%0.77SS**  -139.514977.829.8-9.9000116.7
367D26.6Very low29.7Very low139 Ų139131.6 Ų131.674%0.74377%0.774SS**  trans48.8117.7140.1-52.6-26.9000122.4
368R28.6Very low29.4Very low254 Ų254130.8 Ų130.896%0.95877%0.774SS**  -145.4118.3105.9-110.3176-169.1-167.72.9112.4
369S26.2Very low29.4Very low111 Ų111130.1 Ų130.178%0.77677%0.771SS**  trans-75.4143.9175.753.60000112.8
370C25.7Very low29.4Very low130 Ų130135 Ų13588%0.87878%0.78SS**  trans-150.2113.9132.2-144.70000111.2
371S27.4Very low29.4Very low101 Ų101138.2 Ų138.271%0.70678%0.783SS**  trans-71.6170.3165.3-142.40000109
372S29.7Very low29.6Very low84 Ų84140.5 Ų140.559%0.58779%0.786SS**  cis-166.3151.725.3-125.40000110.9
373R31Very low29.7Very low214 Ų214144.2 Ų144.281%0.80879%0.788SS**  43.4146127.6-63.5-172.9165.3160.7-2.6120.9
374D30.1Very low30.1Very low143 Ų143144.2 Ų144.277%0.76579%0.788SS**  cis-165.4169.8-9-94.3-27.9000106.2
375G27.7Very low30.5Very low70 Ų70147.5 Ų147.572%0.72281%0.808SS**  cis142.1107.3-1.200000111.5
376L27.6Very low30.6Very low175 Ų175150 Ų15092%0.91682%0.815SS**  trans-140.9126.8174.6-166.868.2000113
377T28.6Very low30Very low131 Ų131152.1 Ų152.180%0.80482%0.819SS**  trans-84.2137.5174.946.60000112.7
378S27.1Very low30.1Very low106 Ų106152.8 Ų152.874%0.74182%0.824SS**  trans-178.4115.2135.8-170.90000112.2
379L29.7Very low30.2Very low154 Ų154146.8 Ų146.881%0.80682%0.816SS**  166.4113.7113.2-103.3128.6000111.1
380K28.6Very low30.5Very low197 Ų197149.1 Ų149.186%0.85782%0.818SS**  trans-71.9142.8162.1-94.5176.7169.3177.60109.5
381F29.2Very low30.8Very low198 Ų198150.3 Ų150.387%0.86881%0.814SS**  trans-159.5132.1135-104.1-70.4000109.8
382Q31.1Very low31.1Very low180 Ų180153.9 Ų153.984%0.84182%0.822SS**  trans-151.6131.6-175.9-179.5177.4-0.800110.2
383F30.3Very low31.2Very low188 Ų188159.2 Ų159.283%0.82584%0.84SS**  trans-167.2163.9164.5-88.1-65.6000106.1
384P47.1Very low31.2Very low114 Ų114154.7 Ų154.774%0.7484%0.843SS**  cis-106.2-174.78.340.3-27.4000111.9
385T37.1Very low31.3Very low200 Ų200155.7 Ų155.7100%1.22785%0.85SS**  cis-145.6016.9-26.80000109.7

Retrieved 385 of 385 residues in 181.5 ms (Link to these results)