A0A674A3N1_SALTR Loading...

SEC61 translocon subunit alpha 1

AlphaFold DB , UniProt , Accession A0A674A3N1, Species SALTR (Salmo trutta, Brown trout), Gene SEC61A1, Length 476 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
1M36.8Very low52.8Low245 Ų245101.9 Ų101.9100%1.20754%0.542SS*.  082.10-79.1-174.4-10300108
2G40.6Very low53.3Low72 Ų72104.2 Ų104.274%0.74254%0.544SS*.  trans-76.1122.117300000107.9K4G2-K4 PolarHBondContact O-N 3.11Å
3I40.3Very low53.7Low151 Ų15198.5 Ų98.577%0.77452%0.518SS*.  trans-50116.1167.7-62.8166.4000105.7F5 V8I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 3.31Å; I3-V8 HydrophobicContact CG2-CG2 4.43Å
4K55Low54Low126 Ų12697.8 Ų97.855%0.54853%0.533SS..  trans-62.697.2175.1-76.3-179179.3179.50106.1G2 L6 E7G2-K4 PolarHBondContact O-N 3.11Å; K4-L6 PolarHBondContact O-N 3.36Å; K4-E7 HydrophobicContact CB-CB 4.23Å; K4-E7 HydrophobicContact CB-CG 3.96Å; K4-E7 HydrophobicContact CD-CG 4.26Å; K4-E7 PolarHBondContact O-N 2.91Å
5F54.6Low54.7Low109 Ų10999.3 Ų99.348%0.47855%0.546SS..Hα-helixtrans-49.6-30.4173.6-170.5-105.1000110.9I3 E7 V8 I9 F119I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 3.31Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 3.41Å; F5-V8 PolarHBondContact O-N 3.44Å; F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.61Å; F5-I9 HydrophobicContact CZ-CD1 4.4Å; F5-I9 PolarHBondContact O-N 3.43Å; F5-F119 AromaticContact CE1-CE2 3.95Å; F5-F119 HydrophobicContact CE1-CE2 3.95Å; F5-F119 AromaticContact CE1-CZ 3.95Å; F5-F119 HydrophobicContact CE1-CZ 3.95Å; F5-F119 HydrophobicContact CZ-CE2 4.42Å; F5-F119 HydrophobicContact CZ-CZ 4.01Å
6L54.6Low55.6Low21 Ų2194.7 Ų94.711%0.1152%0.521CS..Hα-helixtrans-60.7-28.6172.1-65.9162.9000114.9K4 L111K4-L6 PolarHBondContact O-N 3.36Å; L6-L111 HydrophobicContact CB-CD1 4.39Å; L6-L111 HydrophobicContact CD2-CB 3.9Å
7E57.2Low56.6Low105 Ų10592.9 Ų92.949%0.49151%0.514SS..Hα-helixtrans-81.7-27.7177.5-74.4-177.8168.900113.1K4 F5 I9 K10K4-E7 HydrophobicContact CB-CB 4.23Å; K4-E7 HydrophobicContact CB-CG 3.96Å; K4-E7 HydrophobicContact CD-CG 4.26Å; K4-E7 PolarHBondContact O-N 2.91Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 3.41Å; E7-I9 VanDerWaalsContact C-N 3.26Å; E7-I9 PolarHBondContact O-N 3.37Å; E7-K10 PolarHBondContact O-N 3.45Å
8V59.7Low57.4Low90 Ų9094.8 Ų94.855%0.54552%0.519SS..Hα-helixtrans-69.9-27.5172.9179.30000111.3I3 F5 P11I3-V8 HydrophobicContact CG2-CG2 4.43Å; F5-V8 PolarHBondContact O-N 3.44Å; V8-P11 WeakPolarHBondContact O-CD 3.46Å
9I60Low58.5Low13 Ų1391.7 Ų91.77%0.06750%0.501CS..Hα-helixtrans-84.3-20.2-179.1-66.6170.8000112.7F5 E7 F12 C13 A115 L118 F119F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.61Å; F5-I9 HydrophobicContact CZ-CD1 4.4Å; F5-I9 PolarHBondContact O-N 3.43Å; E7-I9 VanDerWaalsContact C-N 3.26Å; E7-I9 PolarHBondContact O-N 3.37Å; I9-F12 PolarHBondContact O-N 3.39Å; I9-C13 PolarHBondContact O-N 2.82Å; I9-A115 HydrophobicContact CD1-CB 3.91Å; I9-A115 HydrophobicContact CG2-CB 4.32Å; I9-L118 HydrophobicContact CG2-CD1 4.04Å; I9-F119 HydrophobicContact CD1-CE2 4.4Å
10K61.3Low59.2Low106 Ų10695 Ų9546%0.46151%0.513SS..Hα-helixtrans-47.6-47.8178.7-89.9179.9177.1168.90115.5E7 F12 C13 L111E7-K10 PolarHBondContact O-N 3.45Å; K10-F12 VanDerWaalsContact C-N 3.26Å; K10-F12 PolarHBondContact O-N 3.37Å; K10-C13 PolarHBondContact O-N 3.37Å; K10-L111 HydrophobicContact CG-CD2 3.83Å
11P60.5Low60Low83 Ų8397.3 Ų97.354%0.53952%0.518SS..Hα-helixtrans-65-30.7179.323.5-33.4000112.7V8V8-P11 WeakPolarHBondContact O-CD 3.46Å
12F58.8Low61.7Low129 Ų12987.5 Ų87.557%0.56647%0.473SS*.Hα-helixtrans-79-31.2177.5-65.5-80.2000112.7I9 K10 A14 V15 L16 L118I9-F12 PolarHBondContact O-N 3.39Å; K10-F12 VanDerWaalsContact C-N 3.26Å; K10-F12 PolarHBondContact O-N 3.37Å; F12-A14 PolarHBondContact O-N 3.25Å; F12-V15 PolarHBondContact O-N 3.34Å; F12-L16 PolarHBondContact O-N 3.24Å; F12-L118 HydrophobicContact CB-CD1 3.36Å; F12-L118 HydrophobicContact CG-CD1 4.15Å
13C59Low63.2Low30 Ų3093 Ų9320%0.20348%0.479CS..Hα-helixtrans-61.1-27.2173-780000113.5I9 K10 V15I9-C13 PolarHBondContact O-N 2.82Å; K10-C13 PolarHBondContact O-N 3.37Å; C13-V15 VanDerWaalsContact C-N 3.31Å; C13-V15 PolarHBondContact O-N 3.03Å
14A58Low64.8Low89 Ų8996 Ų9674%0.73648%0.481SS*.THydrogen-bonded Turntrans-73.2-21.2178.500000113.8F12F12-A14 PolarHBondContact O-N 3.25Å
15V64.4Low65.6Low120 Ų12099.9 Ų99.973%0.72750%0.498SS*.THydrogen-bonded Turntrans-93.4-18.8-178.9-177.70000111.5F12 C13F12-V15 PolarHBondContact O-N 3.34Å; C13-V15 VanDerWaalsContact C-N 3.31Å; C13-V15 PolarHBondContact O-N 3.03Å
16L69.7Low66.8Low26 Ų2695.9 Ų95.914%0.13648%0.481CS..SBendtrans-72.4129.4-178.5-70.3169.5000110.4F12 E18 L118 M121F12-L16 PolarHBondContact O-N 3.24Å; L16-E18 PolarHBondContact O-N 2.85Å; L16-E18 VanDerWaalsContact O-N 3.15Å; L16-L118 HydrophobicContact CD1-CB 3.89Å; L16-L118 HydrophobicContact CD1-CD1 4.3Å; L16-L118 HydrophobicContact CD1-CG 4.33Å; L16-M121 HydrophobicContact CD2-CE 3.45Å; L16-M121 VanDerWaalsContact CD2-CE 3.45Å; L16-M121 HydrophobicContact CD2-SD 3.98Å
17P71.8Confident68.1Low64 Ų64100.6 Ų100.642%0.41650%0.503SS..  trans-64.2118.3173.725.6-31.7000108.2K117P17-K117 PolarHBondContact O-NZ 3.36Å
18E71.3Confident69.1Low128 Ų12896.8 Ų96.860%0.59849%0.485SS*.  trans-115.5135.1-178.3-170.3177.8176.400110.4L16 E167 K171L16-E18 PolarHBondContact O-N 2.85Å; L16-E18 VanDerWaalsContact O-N 3.15Å; E18-E167 VanDerWaalsContact CG-OE1 3.3Å; E18-E167 WeakPolarHBondContact CG-OE1 3.08Å; E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 IonicContact OE1-NZ 3.17Å; E18-K171 PolarHBondContact OE1-NZ 3.32Å
19I77.1Confident70.2Confident36 Ų36102.5 Ų102.519%0.18550%0.496CS..PPolyproline II helixtrans-76.4127176.8-65178.2000108.8K21 L164 E167 L168 K171 Y173I19-K21 PolarHBondContact O-N 2.99Å; I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.37Å; I19-L164 WeakPolarHBondContact CD1-O 3.37Å; I19-L164 HydrophobicContact CG1-CD2 4.24Å; I19-E167 HydrophobicContact CB-CG 4.4Å; I19-E167 HydrophobicContact CD1-CB 4.24Å; I19-E167 HydrophobicContact CD1-CG 4.5Å; I19-E167 PolarHBondContact N-OE1 3.3Å; I19-L168 HydrophobicContact CD1-CB 3.69Å; I19-L168 HydrophobicContact CD1-CG 4.49Å; I19-K171 HydrophobicContact CB-CD 4.12Å; I19-K171 HydrophobicContact CG2-CD 4.28Å; I19-K171 WeakPolarHBondContact O-CD 3.23Å; I19-K171 WeakPolarHBondContact O-CE 3.32Å; I19-K171 PolarHBondContact O-NZ 2.83Å; I19-Y173 HydrophobicContact CG2-CE2 3.98Å
20Q74.1Confident71.4Confident156 Ų156106.4 Ų106.473%0.72951%0.514SS*.PPolyproline II helixtrans-68.7134.7178.4-70.5-177.5-7.800111Y173Q20-Y173 WeakPolarHBondContact O-CE2 3.33Å; Q20-Y173 PolarHBondContact O-OH 3.48Å
21K74.8Confident72.5Confident144 Ų144103 Ų10363%0.62650%0.5SS*.PPolyproline II helixtrans-61.8139.7171.8-68.2-178.2-177.4178.20108.5I19 E23 K171I19-K21 PolarHBondContact O-N 2.99Å; K21-E23 PolarHBondContact O-N 2.82Å; K21-K171 HydrophobicContact CG-CD 4.12Å; K21-K171 HydrophobicContact CG-CG 4.27Å
22P73.3Confident73.7Confident40 Ų40101.9 Ų101.926%0.2649%0.491SS..PPolyproline II helixtrans-63.8131-177.426.8-33.7000110.5R24 I26 K171 Y173P22-R24 PolarHBondContact O-N 2.82Å; P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.85Å; P22-I26 HydrophobicContact CG-CD1 3.76Å; P22-I26 HydrophobicContact CG-CG1 4.17Å; P22-K171 WeakPolarHBondContact CD-O 3.39Å; P22-Y173 HydrophobicContact CB-CE1 4.19Å; P22-Y173 HydrophobicContact CB-CE2 4.46Å; P22-Y173 HydrophobicContact CG-CE2 4.35Å
23E71.6Confident75.1Confident187 Ų187100.4 Ų100.487%0.87449%0.488SS*.SBendtrans-67.7-21.3179.5-63.1-174.4163.200112.4K21K21-E23 PolarHBondContact O-N 2.82Å
24R74.2Confident76.5Confident213 Ų213103.6 Ų103.680%0.80450%0.496SS*.SBendtrans-123.6151178.7-63.8-177.3-179.7-176.3-0.2110.1P22 I26P22-R24 PolarHBondContact O-N 2.82Å; R24-I26 PolarHBondContact O-N 2.71Å; R24-I26 VanDerWaalsContact O-N 3.08Å
25K72.7Confident77.9Confident209 Ų209100 Ų10091%0.90947%0.465SS*.  trans-63.4113169-70.6-172.8177.7-176.10108.5
26I78.3Confident79Confident25 Ų2596.9 Ų96.913%0.12845%0.452CS..  trans-65.7137.8178.6-61.6171.3000108.8P22 R24 E30 K31 Y173P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.85Å; P22-I26 HydrophobicContact CG-CD1 3.76Å; P22-I26 HydrophobicContact CG-CG1 4.17Å; R24-I26 PolarHBondContact O-N 2.71Å; R24-I26 VanDerWaalsContact O-N 3.08Å; I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.49Å; I26-K31 HydrophobicContact CB-CG 4.21Å; I26-K31 HydrophobicContact CG2-CG 3.82Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.63Å; I26-Y173 HydrophobicContact CD1-CG 3.72Å
27Q81.8Confident80Confident120 Ų12099.2 Ų99.256%0.56146%0.464SS*.  trans-68.4150.4177.5-63.3-171.79.100110.6R29 E30 K31Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.38Å; Q27-E30 HydrophobicContact CB-CG 4.39Å; Q27-E30 PolarHBondContact N-OE2 3.42Å; Q27-E30 WeakPolarHBondContact O-CB 3.25Å; Q27-E30 PolarHBondContact O-N 3.18Å; Q27-K31 PolarHBondContact O-N 3.41Å
28F79.3Confident80.8Confident25 Ų2596.2 Ų96.211%0.1144%0.444CS..Hα-helixtrans-55.4-39.7-180179.6-104.1000114.1E30 K31 V32 L175 F461 E464 M468F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 2.93Å; F28-K31 WeakPolarHBondContact O-CB 3.48Å; F28-K31 PolarHBondContact O-N 3.36Å; F28-V32 HydrophobicContact CD1-CG2 4.33Å; F28-V32 HydrophobicContact CE1-CG2 4.16Å; F28-V32 HydrophobicContact CZ-CG2 4.39Å; F28-V32 WeakPolarHBondContact O-CG2 3.33Å; F28-V32 PolarHBondContact O-N 2.87Å; F28-L175 HydrophobicContact CD2-CD2 4.19Å; F28-L175 HydrophobicContact CE2-CD2 3.95Å; F28-F461 HydrophobicContact CE1-CD2 4.06Å; F28-F461 HydrophobicContact CE1-CE1 4.16Å; F28-F461 AromaticContact CE1-CE2 3.47Å; F28-F461 HydrophobicContact CE1-CE2 3.47Å; F28-F461 VanDerWaalsContact CE1-CE2 3.47Å; F28-F461 AromaticContact CE1-CZ 3.51Å; F28-F461 HydrophobicContact CE1-CZ 3.51Å; F28-F461 AromaticContact CE2-CD2 3.85Å; F28-F461 HydrophobicContact CE2-CD2 3.85Å; F28-F461 HydrophobicContact CE2-CE2 4.12Å; F28-F461 HydrophobicContact CE2-CG 4.19Å; F28-F461 HydrophobicContact CZ-CB 4.45Å; F28-F461 AromaticContact CZ-CD1 3.88Å; F28-F461 HydrophobicContact CZ-CD1 3.88Å; F28-F461 AromaticContact CZ-CD2 3.18Å; F28-F461 HydrophobicContact CZ-CD2 3.18Å; F28-F461 AromaticContact CZ-CE1 3.79Å; F28-F461 HydrophobicContact CZ-CE1 3.79Å; F28-F461 AromaticContact CZ-CE2 3.09Å; F28-F461 HydrophobicContact CZ-CE2 3.09Å; F28-F461 AromaticContact CZ-CG 3.57Å; F28-F461 HydrophobicContact CZ-CG 3.57Å; F28-F461 AromaticContact CZ-CZ 3.4Å; F28-F461 HydrophobicContact CZ-CZ 3.4Å; F28-E464 HydrophobicContact CD2-CB 4.01Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.44Å; F28-E464 HydrophobicContact CE2-CB 3.99Å; F28-M468 HydrophobicContact CB-CE 4.07Å; F28-M468 HydrophobicContact CB-SD 3.27Å; F28-M468 WeakPolarHBondContact CB-SD 3.36Å; F28-M468 HydrophobicContact CG-SD 4.09Å
29R82.7Confident81.5Confident210 Ų21091.8 Ų91.879%0.79243%0.425SS*.Hα-helixtrans-61-41176.3-69.5-174.7175.5-174.1-1.1112.2Q27 L33Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.38Å; R29-L33 WeakPolarHBondContact O-CB 3.33Å; R29-L33 PolarHBondContact O-N 2.97Å; R29-L33 VanDerWaalsContact O-N 3.09Å
30E84.1Confident82.1Confident95 Ų9596.8 Ų96.844%0.44445%0.445SS..Hα-helixtrans-67.4-41.2176.2-67.1171.7164.500110.6I26 Q27 F28 V32 L33 W34I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.49Å; Q27-E30 HydrophobicContact CB-CG 4.39Å; Q27-E30 PolarHBondContact N-OE2 3.42Å; Q27-E30 WeakPolarHBondContact O-CB 3.25Å; Q27-E30 PolarHBondContact O-N 3.18Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 2.93Å; E30-V32 PolarHBondContact O-N 2.94Å; E30-L33 PolarHBondContact O-N 2.93Å; E30-W34 PolarHBondContact O-N 3.38Å
31K84.3Confident82.8Confident35 Ų3592.4 Ų92.415%0.15243%0.426CS..Hα-helixtrans-59.2-44.5175.8-71.2-177.7177.6177.40112.9I26 Q27 F28 L33 W34 T35 Y173 L175 E464I26-K31 HydrophobicContact CB-CG 4.21Å; I26-K31 HydrophobicContact CG2-CG 3.82Å; Q27-K31 PolarHBondContact O-N 3.41Å; F28-K31 WeakPolarHBondContact O-CB 3.48Å; F28-K31 PolarHBondContact O-N 3.36Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 2.84Å; K31-W34 PolarHBondContact O-N 2.97Å; K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å; K31-Y173 VanDerWaalsContact CA-O 3.25Å; K31-Y173 WeakPolarHBondContact CA-O 3.45Å; K31-L175 HydrophobicContact CB-CD2 4.49Å; K31-L175 HydrophobicContact CB-CG 4.32Å; K31-L175 HydrophobicContact CD-CD2 4.35Å; K31-E464 VanDerWaalsContact NZ-CD 3.35Å; K31-E464 IonicContact NZ-OE1 3.12Å; K31-E464 PolarHBondContact NZ-OE1 2.98Å; K31-E464 IonicContact NZ-OE2 3.31Å; K31-E464 PolarHBondContact NZ-OE2 3.16Å; K31-E464 VanDerWaalsContact NZ-OE2 3.17Å
32V85.6Confident83.4Confident58 Ų5885.6 Ų85.635%0.35240%0.396SS..Hα-helixtrans-61.2-44.1176.3173.40000110.3F28 E30 T35 A36 L175 F461F28-V32 HydrophobicContact CD1-CG2 4.33Å; F28-V32 HydrophobicContact CE1-CG2 4.16Å; F28-V32 HydrophobicContact CZ-CG2 4.39Å; F28-V32 WeakPolarHBondContact O-CG2 3.33Å; F28-V32 PolarHBondContact O-N 2.87Å; E30-V32 PolarHBondContact O-N 2.94Å; V32-T35 PolarHBondContact O-N 2.9Å; V32-A36 PolarHBondContact O-N 3.22Å; V32-L175 HydrophobicContact CG2-CD1 3.65Å; V32-F461 HydrophobicContact CG2-CE2 4.16Å
33L88.4Confident83.9Confident98 Ų9886.6 Ų86.651%0.51340%0.399SS..Hα-helixtrans-63.4-45.2179.1-176.3146.6000112R29 E30 K31 T35 A36 I37R29-L33 WeakPolarHBondContact O-CB 3.33Å; R29-L33 PolarHBondContact O-N 2.97Å; R29-L33 VanDerWaalsContact O-N 3.09Å; E30-L33 PolarHBondContact O-N 2.93Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 2.84Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 3.5Å; L33-A36 PolarHBondContact O-N 3.11Å; L33-I37 HydrophobicContact CD2-CD1 3.47Å; L33-I37 VanDerWaalsContact CD2-CD1 3.47Å; L33-I37 HydrophobicContact CD2-CG1 4.36Å; L33-I37 HydrophobicContact CG-CD1 4.33Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 2.83Å
34W88.1Confident84.7Confident98 Ų9880.4 Ų80.437%0.37137%0.374SS..Hα-helixtrans-61.1-42174.3-80.4111.1000112.1E30 K31 A36 I37 T38 L168 Y173E30-W34 PolarHBondContact O-N 3.38Å; K31-W34 PolarHBondContact O-N 2.97Å; W34-A36 VanDerWaalsContact C-N 3.31Å; W34-A36 PolarHBondContact O-N 2.85Å; W34-I37 PolarHBondContact O-N 3.36Å; W34-T38 WeakPolarHBondContact O-CG2 3.28Å; W34-T38 PolarHBondContact O-N 3.34Å; W34-T38 PolarHBondContact O-OG1 2.88Å; W34-L168 HydrophobicContact CE3-CD1 4.3Å; W34-L168 HydrophobicContact CE3-CD2 4.26Å; W34-L168 HydrophobicContact CZ3-CD1 4.31Å; W34-Y173 WeakPolarHBondContact CB-O 3.45Å
35T87.4Confident85.1Confident12 Ų1271.1 Ų71.17%0.07434%0.342CS..Hα-helixtrans-62-38.8176.3-51.50000111.6K31 V32 L33 T38 L39 L169 G174 L175 L181K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å; V32-T35 PolarHBondContact O-N 2.9Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 3.5Å; T35-T38 PolarHBondContact O-OG1 3.38Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.24Å; T35-L39 PolarHBondContact O-N 3.46Å; T35-L39 VanDerWaalsContact O-N 3.16Å; T35-L169 HydrophobicContact CG2-CD2 4.44Å; T35-G174 WeakPolarHBondContact OG1-CA 3.38Å; T35-L175 PolarHBondContact OG1-N 3.37Å; T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å
36A88.4Confident85.3Confident55 Ų5561.2 Ų61.246%0.45530%0.299SS..Hα-helixtrans-69.3-40.3176.100000112.4V32 L33 W34 L39 F40V32-A36 PolarHBondContact O-N 3.22Å; L33-A36 PolarHBondContact O-N 3.11Å; W34-A36 VanDerWaalsContact C-N 3.31Å; W34-A36 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 3.46Å; A36-F40 WeakPolarHBondContact O-CB 3.35Å; A36-F40 PolarHBondContact O-N 2.89Å
37I90.3Very high85.4Confident75 Ų7565.6 Ų65.639%0.38532%0.319SS..Hα-helixtrans-63.9-46.3177.5-69.6172.6000110.8L33 W34 L39 F40 I41L33-I37 HydrophobicContact CD2-CD1 3.47Å; L33-I37 VanDerWaalsContact CD2-CD1 3.47Å; L33-I37 HydrophobicContact CD2-CG1 4.36Å; L33-I37 HydrophobicContact CG-CD1 4.33Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 2.83Å; W34-I37 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 2.96Å; I37-F40 PolarHBondContact O-N 2.96Å; I37-I41 HydrophobicContact CG2-CD1 3.93Å; I37-I41 WeakPolarHBondContact O-CG1 3.45Å; I37-I41 PolarHBondContact O-N 3.16Å
38T88.5Confident85.5Confident2 Ų263.4 Ų63.41%0.01231%0.31CS..Hα-helixtrans-63.8-39.617956.70000112.1W34 T35 I41 F42 L165 L168 L169W34-T38 WeakPolarHBondContact O-CG2 3.28Å; W34-T38 PolarHBondContact O-N 3.34Å; W34-T38 PolarHBondContact O-OG1 2.88Å; T35-T38 PolarHBondContact O-OG1 3.38Å; T38-I41 PolarHBondContact O-N 3.48Å; T38-F42 WeakPolarHBondContact O-CB 3.42Å; T38-F42 PolarHBondContact O-N 3.21Å; T38-L165 HydrophobicContact CG2-CD2 3.74Å; T38-L168 HydrophobicContact CG2-CD2 3.75Å; T38-L169 HydrophobicContact CG2-CD2 4.16Å; T38-L169 HydrophobicContact CG2-CG 4.34Å
39L87.6Confident85.6Confident35 Ų3566.6 Ų66.618%0.18333%0.333CS..Hα-helixtrans-61-43.7173.4-83.9176.4000112.7T35 A36 I37 F42 L43 L181 F182 T185T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.24Å; T35-L39 PolarHBondContact O-N 3.46Å; T35-L39 VanDerWaalsContact O-N 3.16Å; A36-L39 PolarHBondContact O-N 3.46Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 2.96Å; L39-F42 WeakPolarHBondContact O-CB 3.31Å; L39-F42 PolarHBondContact O-N 2.96Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.34Å; L39-L181 HydrophobicContact CD1-CD1 4.13Å; L39-L181 HydrophobicContact CD1-CD2 3.97Å; L39-L181 HydrophobicContact CD1-CG 4.15Å; L39-L181 HydrophobicContact CD2-CD1 4.36Å; L39-L181 HydrophobicContact CD2-CD2 3.82Å; L39-L181 HydrophobicContact CD2-CG 3.66Å; L39-L181 HydrophobicContact CG-CD2 3.68Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L39-F182 HydrophobicContact CD2-CD1 4.49Å; L39-T185 HydrophobicContact CD2-CG2 4.14Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.3Å
40F89.1Confident85.3Confident140 Ų14057.1 Ų57.161%0.61430%0.298SS*.Hα-helixtrans-63.5-44178.9-173.3-99.3000111.5A36 I37 F42 L43 V44A36-F40 WeakPolarHBondContact O-CB 3.35Å; A36-F40 PolarHBondContact O-N 2.89Å; I37-F40 PolarHBondContact O-N 2.96Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 3.13Å; F40-L43 PolarHBondContact O-N 3.17Å; F40-V44 HydrophobicContact CD1-CG2 4.14Å; F40-V44 HydrophobicContact CE1-CG2 3.77Å; F40-V44 HydrophobicContact CE2-CG2 4.46Å; F40-V44 HydrophobicContact CZ-CG2 3.95Å; F40-V44 VanDerWaalsContact O-CG2 3.32Å; F40-V44 WeakPolarHBondContact O-CG2 3.33Å; F40-V44 PolarHBondContact O-N 2.77Å
41I89.1Confident84.8Confident65 Ų6558.8 Ų58.833%0.33330%0.304SS..Hα-helixtrans-60-44.8174.8-64.7166.4000110.4I37 T38 V44 C45 L165I37-I41 HydrophobicContact CG2-CD1 3.93Å; I37-I41 WeakPolarHBondContact O-CG1 3.45Å; I37-I41 PolarHBondContact O-N 3.16Å; T38-I41 PolarHBondContact O-N 3.48Å; I41-V44 PolarHBondContact O-N 2.99Å; I41-C45 PolarHBondContact O-N 3.34Å; I41-C45 PolarHBondContact O-SG 3.23Å; I41-C45 VanDerWaalsContact O-SG 3.33Å; I41-L165 HydrophobicContact CB-CD1 4.34Å; I41-L165 HydrophobicContact CD1-CD2 4.32Å; I41-L165 HydrophobicContact CG2-CD1 3.88Å
42F85.8Confident83.9Confident0 Ų058.2 Ų58.20%031%0.308CS..Hα-helixtrans-59.3-48.4177.8179.4-99.6000112T38 L39 F40 V44 C45 C46 A70 M77 F182T38-F42 WeakPolarHBondContact O-CB 3.42Å; T38-F42 PolarHBondContact O-N 3.21Å; L39-F42 WeakPolarHBondContact O-CB 3.31Å; L39-F42 PolarHBondContact O-N 2.96Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 3.13Å; F42-V44 PolarHBondContact O-N 3.08Å; F42-C45 PolarHBondContact O-N 3.42Å; F42-C46 PolarHBondContact O-N 2.82Å; F42-C46 PolarHBondContact O-SG 3.35Å; F42-C46 VanDerWaalsContact O-SG 3.4Å; F42-A70 HydrophobicContact CZ-CB 4.05Å; F42-M77 HydrophobicContact CD2-CE 3.51Å; F42-M77 HydrophobicContact CD2-SD 4.21Å; F42-M77 HydrophobicContact CE2-CE 3.88Å; F42-M77 HydrophobicContact CE2-SD 3.95Å; F42-M77 HydrophobicContact CG-CE 4.35Å; F42-F182 HydrophobicContact CB-CD1 3.95Å; F42-F182 HydrophobicContact CB-CE1 3.78Å; F42-F182 HydrophobicContact CD1-CB 4.44Å; F42-F182 AromaticContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CG 4.38Å; F42-F182 HydrophobicContact CD2-CB 4.37Å; F42-F182 AromaticContact CD2-CD1 3.67Å; F42-F182 HydrophobicContact CD2-CD1 3.67Å; F42-F182 HydrophobicContact CD2-CD2 4.28Å; F42-F182 AromaticContact CD2-CE1 3.97Å; F42-F182 HydrophobicContact CD2-CE1 3.97Å; F42-F182 AromaticContact CD2-CG 3.85Å; F42-F182 HydrophobicContact CD2-CG 3.85Å; F42-F182 HydrophobicContact CD2-CZ 4.4Å; F42-F182 HydrophobicContact CE1-CB 4.02Å; F42-F182 HydrophobicContact CE1-CD1 4.28Å; F42-F182 HydrophobicContact CE1-CG 4.4Å; F42-F182 HydrophobicContact CE2-CB 3.96Å; F42-F182 HydrophobicContact CE2-CD1 4.14Å; F42-F182 HydrophobicContact CE2-CD2 4.31Å; F42-F182 AromaticContact CE2-CG 3.89Å; F42-F182 HydrophobicContact CE2-CG 3.89Å; F42-F182 AromaticContact CG-CD1 3.52Å; F42-F182 HydrophobicContact CG-CD1 3.52Å; F42-F182 AromaticContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CG 4.13Å; F42-F182 HydrophobicContact CZ-CB 3.78Å; F42-F182 HydrophobicContact CZ-CD1 4.43Å; F42-F182 HydrophobicContact CZ-CG 4.17Å
43L84.9Confident82.8Confident61 Ų6157.7 Ų57.732%0.31930%0.303SS..Hα-helixtrans-62.7-42178.6-75.9172.7000112.9L39 F40 C45 C46 Q47 T185L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.34Å; F40-L43 PolarHBondContact O-N 3.17Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 3.01Å; L43-C46 WeakPolarHBondContact O-CB 3.41Å; L43-C46 PolarHBondContact O-N 3.09Å; L43-Q47 WeakPolarHBondContact O-CG 3.47Å; L43-Q47 PolarHBondContact O-N 3.21Å; L43-T185 HydrophobicContact CD1-CG2 4.25Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4Å
44V87.8Confident81.1Confident58 Ų5860.7 Ų60.735%0.35232%0.316SS..Hα-helixtrans-61.7-43.4176.21700000110.5F40 I41 F42 C46 Q47 I48F40-V44 HydrophobicContact CD1-CG2 4.14Å; F40-V44 HydrophobicContact CE1-CG2 3.77Å; F40-V44 HydrophobicContact CE2-CG2 4.46Å; F40-V44 HydrophobicContact CZ-CG2 3.95Å; F40-V44 VanDerWaalsContact O-CG2 3.32Å; F40-V44 WeakPolarHBondContact O-CG2 3.33Å; F40-V44 PolarHBondContact O-N 2.77Å; I41-V44 PolarHBondContact O-N 2.99Å; F42-V44 PolarHBondContact O-N 3.08Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.79Å; V44-Q47 PolarHBondContact O-N 3.42Å; V44-Q47 VanDerWaalsContact O-N 3.09Å; V44-I48 HydrophobicContact CG1-CD1 3.77Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.38Å; V44-I48 PolarHBondContact O-N 3.31Å
45C83.1Confident79.3Confident17 Ų1758.8 Ų58.812%0.11532%0.318CS..Hα-helixtrans-65-32.4175.8-71.30000113.2I41 F42 L43 Q47 L76 M77I41-C45 PolarHBondContact O-N 3.34Å; I41-C45 PolarHBondContact O-SG 3.23Å; I41-C45 VanDerWaalsContact O-SG 3.33Å; F42-C45 PolarHBondContact O-N 3.42Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 3.01Å; C45-Q47 PolarHBondContact O-N 2.92Å; C45-L76 HydrophobicContact CB-CB 4.46Å; C45-M77 HydrophobicContact CB-CE 3.19Å; C45-M77 HydrophobicContact CB-CG 3.9Å; C45-M77 HydrophobicContact CB-SD 4.31Å
46C77.6Confident77.5Confident1 Ų162.8 Ų62.81%0.00735%0.347CS..THydrogen-bonded Turntrans-65.6-14.8172.9-75.10000113.9F42 L43 V44 N72 T75 M77F42-C46 PolarHBondContact O-N 2.82Å; F42-C46 PolarHBondContact O-SG 3.35Å; F42-C46 VanDerWaalsContact O-SG 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.41Å; L43-C46 PolarHBondContact O-N 3.09Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.79Å; C46-N72 PolarHBondContact O-ND2 3.32Å; C46-T75 VanDerWaalsContact O-CG2 3.28Å; C46-T75 WeakPolarHBondContact O-CG2 3.37Å; C46-M77 HydrophobicContact CB-CG 4.48Å
47Q80.4Confident75.6Confident118 Ų11868 Ų6855%0.55137%0.366SS*.THydrogen-bonded Turntrans-109.5-19.7-175.5-66.7-68.2-21.500113.2L43 V44 C45 P49 E189L43-Q47 WeakPolarHBondContact O-CG 3.47Å; L43-Q47 PolarHBondContact O-N 3.21Å; V44-Q47 PolarHBondContact O-N 3.42Å; V44-Q47 VanDerWaalsContact O-N 3.09Å; C45-Q47 PolarHBondContact O-N 2.92Å; Q47-P49 WeakPolarHBondContact O-CD 3.5Å; Q47-E189 PolarHBondContact NE2-OE1 3.49Å
48I83.9Confident73.8Confident74 Ų7467 Ų6738%0.37937%0.366SS..SBendtrans-77118.9178.6-65.8165.2000109.5V44 T75 L76V44-I48 HydrophobicContact CG1-CD1 3.77Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.38Å; V44-I48 PolarHBondContact O-N 3.31Å; I48-T75 VanDerWaalsContact O-CA 3.26Å; I48-T75 WeakPolarHBondContact O-CA 3.5Å; I48-T75 WeakPolarHBondContact O-CB 3.36Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.19Å; I48-L76 HydrophobicContact CD1-CD1 4.02Å; I48-L76 HydrophobicContact CG1-CD1 4.5Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.05Å; I48-L76 PolarHBondContact O-N 3.38Å
49P80.1Confident71.9Confident92 Ų9268.9 Ų68.960%0.59738%0.382SS*.BIsolated β-bridgetrans-70.3150.917729.5-34.3000111.6Q47 G74Q47-P49 WeakPolarHBondContact O-CD 3.5Å; P49-G74 CarbonylContact C-O 3.57Å; P49-G74 VanDerWaalsContact CA-O 3.31Å; P49-G74 WeakPolarHBondContact CA-O 3.49Å
50L77.3Confident70.3Confident10 Ų1068.9 Ų68.95%0.05238%0.383CS..PPolyproline II helixtrans-71.7147174.1-65.8155.8000110.7I53 G74 T75 L76 E78 Y137 Q154 L155L50-I53 HydrophobicContact CB-CD1 3.86Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.36Å; L50-G74 PolarHBondContact N-O 2.97Å; L50-T75 VanDerWaalsContact CD1-O 3.3Å; L50-T75 WeakPolarHBondContact CD1-O 3.35Å; L50-T75 WeakPolarHBondContact CG-O 3.31Å; L50-L76 HydrophobicContact CD2-CD2 4.19Å; L50-E78 HydrophobicContact CD1-CB 4.4Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.37Å; L50-Y137 HydrophobicContact CD1-CE1 4.16Å; L50-Q154 HydrophobicContact CD2-CG 3.99Å; L50-L155 HydrophobicContact CD1-CD2 3.91Å; L50-L155 HydrophobicContact CD2-CD2 3.59Å; L50-L155 HydrophobicContact CD2-CG 4.17Å; L50-L155 HydrophobicContact CG-CD2 4.39Å
51F73.1Confident68.6Low130 Ų13064.3 Ų64.357%0.5737%0.367SS*.THydrogen-bonded Turntrans-77.6127.4175.3-175.2-96.8000109.8L150 I151F51-L150 HydrophobicContact CB-CD2 4.3Å; F51-L150 HydrophobicContact CD1-CD1 4.41Å; F51-L150 HydrophobicContact CD1-CD2 3.94Å; F51-L150 HydrophobicContact CG-CD2 4.5Å; F51-I151 VanDerWaalsContact O-CG1 3.27Å; F51-I151 WeakPolarHBondContact O-CG1 3.42Å
52G65.3Low67.1Low23 Ų2362.4 Ų62.424%0.23736%0.356CS..THydrogen-bonded Turntrans100.110.6172.600000117M54G52-M54 PolarHBondContact O-N 3.07Å
53I62.4Low65.9Low47 Ų4766.2 Ų66.224%0.24137%0.371CS..  trans-74.1110.6172.8-56.6169.4000109.2L50 G74 Y137L50-I53 HydrophobicContact CB-CD1 3.86Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.36Å; I53-G74 VanDerWaalsContact CD1-O 3.28Å; I53-G74 WeakPolarHBondContact CD1-O 3.27Å; I53-Y137 HydrophobicContact CG1-CD1 4.26Å
54M52.1Low64.8Low162 Ų16267.5 Ų67.580%0.79837%0.372SS*.  trans-97-19.2173.5-72.1-168.274.100113.3G52G52-M54 PolarHBondContact O-N 3.07Å
55S50.6Low63.7Low57 Ų5766.4 Ų66.440%0.39936%0.363SS..  trans-12395.5-176.9-61.70000111.4D57S55-D57 VanDerWaalsContact C-N 3.34Å
56S50.3Low63Low97 Ų9766.5 Ų66.568%0.67836%0.361SS*.  trans-85.8-3.8175.6-60.90000113.8
57D49.4Very low62.4Low163 Ų16368.3 Ų68.387%0.87237%0.372SS*.  trans-107.67.6-167.6-97.2-5.9000115.7S55S55-D57 VanDerWaalsContact C-N 3.34Å
58S51Low61.7Low54 Ų5463.5 Ų63.538%0.37835%0.35SS..SBendtrans-74138.5174.856.50000111.1D60 R73S58-D60 PolarHBondContact O-N 2.96Å; S58-R73 VanDerWaalsContact O-CZ 3.26Å; S58-R73 PolarHBondContact O-NH1 3.22Å; S58-R73 PolarHBondContact O-NH2 3.47Å; S58-R73 VanDerWaalsContact O-NH2 3.11Å; S58-R73 PolarHBondContact OG-NH2 2.89Å
59A48.8Very low61Low42 Ų4260.9 Ų60.935%0.34734%0.337SS..  trans-56.4130.7177.700000110.7P61 A333A59-P61 WeakPolarHBondContact O-CD 3.41Å; A59-A333 HydrophobicContact CB-CB 4.07Å
60D55Low60.5Low36 Ų3656.5 Ų56.519%0.19331%0.308CS..  trans-83.5107.6-176.3-162.8-12.3000110.9S58 F62 R66S58-D60 PolarHBondContact O-N 2.96Å; D60-F62 PolarHBondContact O-N 2.91Å; D60-F62 PolarHBondContact OD1-N 3.16Å; D60-R66 IonicContact OD1-CZ 3.64Å; D60-R66 IonicContact OD1-NE 3.27Å; D60-R66 PolarHBondContact OD1-NE 3.3Å; D60-R66 IonicContact OD1-NH2 2.72Å; D60-R66 PolarHBondContact OD1-NH2 3.01Å; D60-R66 WeakPolarHBondContact OD2-CD 3.35Å; D60-R66 IonicContact OD2-CZ 4Å; D60-R66 IonicContact OD2-NE 2.65Å; D60-R66 PolarHBondContact OD2-NE 2.86Å; D60-R66 IonicContact OD2-NH2 3.72Å; D60-R66 PolarHBondContact OD2-NH2 2.57Å
61P52.4Low60.1Low44 Ų4456.4 Ų56.429%0.28631%0.308SS..THydrogen-bonded Turntrans-71.5-14.5-178.6-14.732.5000112.5A59 Q306A59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-Q306 PolarHBondContact O-OE1 3.41Å
62F58.2Low60Low25 Ų2552 Ų5211%0.1129%0.291CS..THydrogen-bonded Turntrans-109.215.5-171-65-65.3000114.3D60 W64 M65 R66 Y131 M136 V303 M307D60-F62 PolarHBondContact O-N 2.91Å; D60-F62 PolarHBondContact OD1-N 3.16Å; F62-W64 VanDerWaalsContact C-N 3.25Å; F62-W64 PolarHBondContact O-N 3.49Å; F62-W64 VanDerWaalsContact O-N 3.1Å; F62-M65 HydrophobicContact CB-CB 4.31Å; F62-M65 HydrophobicContact CD1-CB 4.43Å; F62-M65 HydrophobicContact CD1-SD 3.79Å; F62-M65 HydrophobicContact CE1-SD 4.2Å; F62-M65 WeakPolarHBondContact O-CA 3.39Å; F62-M65 WeakPolarHBondContact O-CB 3.5Å; F62-M65 PolarHBondContact O-N 3.44Å; F62-R66 HydrophobicContact CB-CG 4.48Å; F62-R66 WeakPolarHBondContact O-CG 3.34Å; F62-R66 PolarHBondContact O-N 2.92Å; F62-Y131 HydrophobicContact CE2-CE1 4.24Å; F62-M136 HydrophobicContact CD2-CE 4.09Å; F62-M136 HydrophobicContact CD2-SD 4.46Å; F62-M136 HydrophobicContact CE2-CE 4.29Å; F62-M136 HydrophobicContact CE2-SD 4.08Å; F62-V303 HydrophobicContact CD1-CG1 4.39Å; F62-V303 HydrophobicContact CD1-CG2 3.56Å; F62-V303 HydrophobicContact CE1-CB 4.23Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.57Å; F62-V303 HydrophobicContact CZ-CG1 4.21Å; F62-M307 HydrophobicContact CZ-CE 4.19Å
63Y60.4Low60.2Low80 Ų8054.2 Ų54.231%0.31429%0.292SS..Hα-helixtrans-47.7-46.2-175.8-176.5-102.8000113.6R66 R334Y63-R66 PolarHBondContact O-N 3.42Å; Y63-R334 PolarHBondContact OH-NH2 3.39Å
64W61.5Low60.6Low88 Ų8852.6 Ų52.633%0.33329%0.286SS..Hα-helixtrans-67.8-36.6178.7-60.4106.8000113.4F62 P347F62-W64 VanDerWaalsContact C-N 3.25Å; F62-W64 PolarHBondContact O-N 3.49Å; F62-W64 VanDerWaalsContact O-N 3.1Å; W64-P347 HydrophobicContact CH2-CG 4.34Å
65M64.9Low62Low34 Ų3445.6 Ų45.617%0.16725%0.253CS..Hα-helixtrans-72.9-33.2179.4-162176.4158.200111.2F62 V67 I68 L69F62-M65 HydrophobicContact CB-CB 4.31Å; F62-M65 HydrophobicContact CD1-CB 4.43Å; F62-M65 HydrophobicContact CD1-SD 3.79Å; F62-M65 HydrophobicContact CE1-SD 4.2Å; F62-M65 WeakPolarHBondContact O-CA 3.39Å; F62-M65 WeakPolarHBondContact O-CB 3.5Å; F62-M65 PolarHBondContact O-N 3.44Å; M65-V67 VanDerWaalsContact C-N 3.32Å; M65-V67 PolarHBondContact O-N 2.89Å; M65-I68 PolarHBondContact O-N 3.41Å; M65-L69 HydrophobicContact CE-CD1 3.47Å; M65-L69 VanDerWaalsContact CE-CD1 3.47Å; M65-L69 HydrophobicContact CG-CD1 3.54Å; M65-L69 HydrophobicContact CG-CG 4.06Å; M65-L69 WeakPolarHBondContact O-CB 3.36Å; M65-L69 VanDerWaalsContact O-CG 3.24Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 3.32Å; M65-L69 HydrophobicContact SD-CD1 4.16Å
66R68.6Low63.3Low19 Ų1944.3 Ų44.37%0.07224%0.241CC..Hα-helixtrans-60.5-37.3-179.1-76-170.5-167.6-88.47.1113.7D60 F62 Y63 I68 L69 A70 S71 E78D60-R66 IonicContact OD1-CZ 3.64Å; D60-R66 IonicContact OD1-NE 3.27Å; D60-R66 PolarHBondContact OD1-NE 3.3Å; D60-R66 IonicContact OD1-NH2 2.72Å; D60-R66 PolarHBondContact OD1-NH2 3.01Å; D60-R66 WeakPolarHBondContact OD2-CD 3.35Å; D60-R66 IonicContact OD2-CZ 4Å; D60-R66 IonicContact OD2-NE 2.65Å; D60-R66 PolarHBondContact OD2-NE 2.86Å; D60-R66 IonicContact OD2-NH2 3.72Å; D60-R66 PolarHBondContact OD2-NH2 2.57Å; F62-R66 HydrophobicContact CB-CG 4.48Å; F62-R66 WeakPolarHBondContact O-CG 3.34Å; F62-R66 PolarHBondContact O-N 2.92Å; Y63-R66 PolarHBondContact O-N 3.42Å; R66-I68 VanDerWaalsContact C-N 3.32Å; R66-I68 PolarHBondContact O-N 3.28Å; R66-L69 PolarHBondContact O-N 3.37Å; R66-A70 PolarHBondContact O-N 2.89Å; R66-S71 WeakPolarHBondContact CB-O 3.43Å; R66-S71 PolarHBondContact NH1-OG 3.24Å; R66-S71 PolarHBondContact O-N 2.78Å; R66-S71 VanDerWaalsContact O-N 3.14Å; R66-E78 IonicContact CZ-OE1 2.74Å; R66-E78 IonicContact NH1-OE1 2.78Å; R66-E78 PolarHBondContact NH1-OE1 2.84Å; R66-E78 IonicContact NH2-OE1 2.65Å; R66-E78 PolarHBondContact NH2-OE1 2.69Å
67V64.3Low64.8Low39 Ų3939.8 Ų39.824%0.23621%0.21CC..Hα-helixtrans-61.1-40.9178.5178.60000111.4M65M65-V67 VanDerWaalsContact C-N 3.32Å; M65-V67 PolarHBondContact O-N 2.89Å
68I66.4Low66Low18 Ų1832.2 Ų32.29%0.09217%0.169CC..Hα-helixtrans-78.7-34.9-179.1-54.4169.7000110.8M65 R66 A70 I292 S295M65-I68 PolarHBondContact O-N 3.41Å; R66-I68 VanDerWaalsContact C-N 3.32Å; R66-I68 PolarHBondContact O-N 3.28Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 2.96Å; I68-I292 HydrophobicContact CG2-CG2 4.37Å; I68-S295 WeakPolarHBondContact CD1-OG 3.28Å
69L69.5Low67.2Low19 Ų1929.9 Ų29.910%0.09915%0.152CC..Hα-helixtrans-84.5-3.3-175.6-66.3-176.2000114.4M65 R66 S71 I81 S82M65-L69 HydrophobicContact CE-CD1 3.47Å; M65-L69 VanDerWaalsContact CE-CD1 3.47Å; M65-L69 HydrophobicContact CG-CD1 3.54Å; M65-L69 HydrophobicContact CG-CG 4.06Å; M65-L69 WeakPolarHBondContact O-CB 3.36Å; M65-L69 VanDerWaalsContact O-CG 3.24Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 3.32Å; M65-L69 HydrophobicContact SD-CD1 4.16Å; R66-L69 PolarHBondContact O-N 3.37Å; L69-S71 PolarHBondContact O-N 2.84Å; L69-I81 PolarHBondContact O-N 3.23Å; L69-S82 VanDerWaalsContact CD1-CB 3.41Å
70A68.9Low68.7Low0 Ų028.1 Ų28.10%014%0.138CC..THydrogen-bonded Turntrans49.348.2-171.700000111.5F42 R66 I68 I81 N186F42-A70 HydrophobicContact CZ-CB 4.05Å; R66-A70 PolarHBondContact O-N 2.89Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 2.96Å; A70-I81 HydrophobicContact CB-CD1 3.61Å; A70-I81 HydrophobicContact CB-CG1 4.17Å; A70-N186 HydrophobicContact CB-CB 3.66Å
71S69.7Low69.9Low7 Ų726.4 Ų26.45%0.04913%0.129CC..  trans-109.2126-176.9162.70000110.5R66 L69 M77 E78R66-S71 WeakPolarHBondContact CB-O 3.43Å; R66-S71 PolarHBondContact NH1-OG 3.24Å; R66-S71 PolarHBondContact O-N 2.78Å; R66-S71 VanDerWaalsContact O-N 3.14Å; L69-S71 PolarHBondContact O-N 2.84Å; S71-M77 WeakPolarHBondContact CA-O 3.16Å; S71-M77 PolarHBondContact OG-O 3.29Å; S71-E78 WeakPolarHBondContact CB-O 3.47Å; S71-E78 PolarHBondContact OG-O 3.5Å
72N70.6Confident71.3Confident38 Ų3824.4 Ų24.420%0.20312%0.116CC..  trans-104127.8172.3-69.9-9.9000108.9C46 T75 N186C46-N72 PolarHBondContact O-ND2 3.32Å; N72-T75 HydrophobicContact CB-CG2 3.94Å; N72-T75 WeakPolarHBondContact CB-OG1 3.49Å; N72-T75 PolarHBondContact O-OG1 3.23Å; N72-N186 PolarHBondContact OD1-ND2 3.35Å
73R68.9Low72.4Confident70 Ų7023.3 Ų23.326%0.26411%0.111SC..THydrogen-bonded Turntrans-62.9136.6-179.3-177.6174.2174.7161.8-4.2111.4S58 T75S58-R73 VanDerWaalsContact O-CZ 3.26Å; S58-R73 PolarHBondContact O-NH1 3.22Å; S58-R73 PolarHBondContact O-NH2 3.47Å; S58-R73 VanDerWaalsContact O-NH2 3.11Å; S58-R73 PolarHBondContact OG-NH2 2.89Å; R73-T75 PolarHBondContact O-N 3.25Å
74G70.2Confident73.4Confident12 Ų1219.8 Ų19.812%0.12410%0.098CC..THydrogen-bonded Turntrans73.813.5173.100000114.7P49 L50 I53 E78P49-G74 CarbonylContact C-O 3.57Å; P49-G74 VanDerWaalsContact CA-O 3.31Å; P49-G74 WeakPolarHBondContact CA-O 3.49Å; L50-G74 PolarHBondContact N-O 2.97Å; I53-G74 VanDerWaalsContact CD1-O 3.28Å; I53-G74 WeakPolarHBondContact CD1-O 3.27Å; G74-E78 PolarHBondContact N-OE2 3.06Å; G74-E78 VanDerWaalsContact N-OE2 3.12Å
75T82.4Confident74.3Confident16 Ų1617.6 Ų17.610%0.0989%0.094CC..BIsolated β-bridgetrans-114.8167.8179.171.10000110.4C46 I48 L50 N72 R73 M77 E78C46-T75 VanDerWaalsContact O-CG2 3.28Å; C46-T75 WeakPolarHBondContact O-CG2 3.37Å; I48-T75 VanDerWaalsContact O-CA 3.26Å; I48-T75 WeakPolarHBondContact O-CA 3.5Å; I48-T75 WeakPolarHBondContact O-CB 3.36Å; L50-T75 VanDerWaalsContact CD1-O 3.3Å; L50-T75 WeakPolarHBondContact CD1-O 3.35Å; L50-T75 WeakPolarHBondContact CG-O 3.31Å; N72-T75 HydrophobicContact CB-CG2 3.94Å; N72-T75 WeakPolarHBondContact CB-OG1 3.49Å; N72-T75 PolarHBondContact O-OG1 3.23Å; R73-T75 PolarHBondContact O-N 3.25Å; T75-M77 PolarHBondContact O-N 2.68Å; T75-M77 PolarHBondContact OG1-N 3.46Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 VanDerWaalsContact O-N 3.09Å
76L78.6Confident75.1Confident29 Ų2918 Ų1815%0.15210%0.099CC..THydrogen-bonded Turntrans-52.3-24.1172.6-69.9173.2000112.9C45 I48 L50 E78 Q154 A158C45-L76 HydrophobicContact CB-CB 4.46Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.19Å; I48-L76 HydrophobicContact CD1-CD1 4.02Å; I48-L76 HydrophobicContact CG1-CD1 4.5Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.05Å; I48-L76 PolarHBondContact O-N 3.38Å; L50-L76 HydrophobicContact CD2-CD2 4.19Å; L76-E78 PolarHBondContact O-N 2.88Å; L76-Q154 HydrophobicContact CD2-CG 3.44Å; L76-Q154 VanDerWaalsContact CD2-CG 3.44Å; L76-A158 HydrophobicContact CB-CB 4.09Å; L76-A158 HydrophobicContact CD2-CB 4.34Å; L76-A158 VanDerWaalsContact O-CB 3.24Å; L76-A158 WeakPolarHBondContact O-CB 3.31Å
77M81.1Confident75.7Confident3 Ų317.2 Ų17.22%0.01510%0.096CC..THydrogen-bonded Turntrans-94.528.2-178.8-66.7-66.8-17200113.8F42 C45 C46 S71 T75 L79 G80 V162F42-M77 HydrophobicContact CD2-CE 3.51Å; F42-M77 HydrophobicContact CD2-SD 4.21Å; F42-M77 HydrophobicContact CE2-CE 3.88Å; F42-M77 HydrophobicContact CE2-SD 3.95Å; F42-M77 HydrophobicContact CG-CE 4.35Å; C45-M77 HydrophobicContact CB-CE 3.19Å; C45-M77 HydrophobicContact CB-CG 3.9Å; C45-M77 HydrophobicContact CB-SD 4.31Å; C46-M77 HydrophobicContact CB-CG 4.48Å; S71-M77 WeakPolarHBondContact CA-O 3.16Å; S71-M77 PolarHBondContact OG-O 3.29Å; T75-M77 PolarHBondContact O-N 2.68Å; T75-M77 PolarHBondContact OG1-N 3.46Å; M77-L79 PolarHBondContact O-N 2.94Å; M77-G80 WeakPolarHBondContact O-CA 3.36Å; M77-G80 PolarHBondContact O-N 2.92Å; M77-V162 HydrophobicContact CE-CG2 3.45Å; M77-V162 VanDerWaalsContact CE-CG2 3.45Å; M77-V162 HydrophobicContact SD-CG2 3.43Å; M77-V162 WeakPolarHBondContact SD-CG2 3.4Å
78E75.6Confident76.4Confident3 Ų315.6 Ų15.61%0.0149%0.087CC..SBendtrans-66.6-36.4179.8-175.4137.3-153.700114L50 R66 S71 G74 T75 L76 G80 Y131 Y137 L155L50-E78 HydrophobicContact CD1-CB 4.4Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.37Å; R66-E78 IonicContact CZ-OE1 2.74Å; R66-E78 IonicContact NH1-OE1 2.78Å; R66-E78 PolarHBondContact NH1-OE1 2.84Å; R66-E78 IonicContact NH2-OE1 2.65Å; R66-E78 PolarHBondContact NH2-OE1 2.69Å; S71-E78 WeakPolarHBondContact CB-O 3.47Å; S71-E78 PolarHBondContact OG-O 3.5Å; G74-E78 PolarHBondContact N-OE2 3.06Å; G74-E78 VanDerWaalsContact N-OE2 3.12Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 VanDerWaalsContact O-N 3.09Å; L76-E78 PolarHBondContact O-N 2.88Å; E78-G80 PolarHBondContact O-N 3.43Å; E78-Y131 HydrophobicContact CG-CD2 4.46Å; E78-Y137 VanDerWaalsContact CG-OH 3.29Å; E78-Y137 WeakPolarHBondContact CG-OH 3.24Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.45Å; E78-Y137 PolarHBondContact OE2-OH 3.19Å; E78-L155 HydrophobicContact CB-CD2 4.19Å
79L75.4Confident76.8Confident6 Ų618.3 Ų18.33%0.03110%0.101CC..SBendtrans-74.5-18.4169.6-7292.9000112M77 I81 S82 P83 T124 Q127 A128 L155M77-L79 PolarHBondContact O-N 2.94Å; L79-I81 PolarHBondContact O-N 3.26Å; L79-S82 VanDerWaalsContact O-CB 3.29Å; L79-S82 WeakPolarHBondContact O-CB 3.45Å; L79-S82 PolarHBondContact O-N 2.91Å; L79-S82 VanDerWaalsContact O-N 3.14Å; L79-P83 HydrophobicContact CB-CG 4.24Å; L79-P83 HydrophobicContact CD2-CG 4.03Å; L79-T124 WeakPolarHBondContact CD2-O 3.42Å; L79-Q127 HydrophobicContact CD2-CB 3.54Å; L79-Q127 HydrophobicContact CG-CB 4.49Å; L79-A128 HydrophobicContact CD1-CB 4.49Å; L79-L155 HydrophobicContact CD1-CB 3.72Å; L79-L155 HydrophobicContact CD1-CD1 4Å; L79-L155 HydrophobicContact CD1-CD2 3.77Å; L79-L155 HydrophobicContact CD1-CG 4.03Å
80G80.4Confident77.3Confident5 Ų521 Ų215%0.05212%0.115CC..THydrogen-bonded Turntrans49.1-134.8-176.500000112.4M77 E78 S82M77-G80 WeakPolarHBondContact O-CA 3.36Å; M77-G80 PolarHBondContact O-N 2.92Å; E78-G80 PolarHBondContact O-N 3.43Å; G80-S82 VanDerWaalsContact C-N 3.34Å
81I80.3Confident77.8Confident0 Ų021.2 Ų21.20%012%0.116CC..THydrogen-bonded Turntrans-93.23179.1-40.6158.5000111L69 A70 L79 I84 V85 I179 F182 I183L69-I81 PolarHBondContact O-N 3.23Å; A70-I81 HydrophobicContact CB-CD1 3.61Å; A70-I81 HydrophobicContact CB-CG1 4.17Å; L79-I81 PolarHBondContact O-N 3.26Å; I81-I84 HydrophobicContact CG2-CB 3.89Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 4.21Å; I81-I84 WeakPolarHBondContact O-CB 3.4Å; I81-I84 PolarHBondContact O-N 3.14Å; I81-V85 HydrophobicContact CB-CG2 4.39Å; I81-V85 HydrophobicContact CG2-CG2 3.95Å; I81-V85 PolarHBondContact O-N 3.43Å; I81-I179 HydrophobicContact CG2-CB 4.31Å; I81-I179 HydrophobicContact CG2-CG1 3.95Å; I81-I179 HydrophobicContact CG2-CG2 4.1Å; I81-F182 HydrophobicContact CD1-CB 3.36Å; I81-F182 HydrophobicContact CD1-CD2 4.31Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.04Å; I81-F182 HydrophobicContact CG1-CD2 4.26Å; I81-I183 HydrophobicContact CD1-CG1 3.66Å
82S80.4Confident78Confident1 Ų125.3 Ų25.31%0.00714%0.135CC..Hα-helixtrans-54.4-47.2-173.3118.80000114.1L69 L79 G80 I84 V85 T86 Q127L69-S82 VanDerWaalsContact CD1-CB 3.41Å; L79-S82 VanDerWaalsContact O-CB 3.29Å; L79-S82 WeakPolarHBondContact O-CB 3.45Å; L79-S82 PolarHBondContact O-N 2.91Å; L79-S82 VanDerWaalsContact O-N 3.14Å; G80-S82 VanDerWaalsContact C-N 3.34Å; S82-I84 PolarHBondContact O-N 3.37Å; S82-V85 PolarHBondContact O-N 3.26Å; S82-T86 VanDerWaalsContact O-CB 3.32Å; S82-T86 WeakPolarHBondContact O-CB 3.39Å; S82-T86 VanDerWaalsContact O-CG2 3.24Å; S82-T86 WeakPolarHBondContact O-CG2 3.47Å; S82-T86 PolarHBondContact O-N 3.42Å; S82-T86 PolarHBondContact O-OG1 3.42Å; S82-Q127 VanDerWaalsContact OG-CD 3.31Å; S82-Q127 PolarHBondContact OG-NE2 3.49Å; S82-Q127 PolarHBondContact OG-OE1 3.11Å
83P81.5Confident78.1Confident2 Ų229.1 Ų29.11%0.01315%0.154CC..Hα-helixtrans-63.5-29.2179.4-23.936.2000112.7L79 T86 S87 I123 T124L79-P83 HydrophobicContact CB-CG 4.24Å; L79-P83 HydrophobicContact CD2-CG 4.03Å; P83-T86 WeakPolarHBondContact CA-OG1 3.25Å; P83-T86 PolarHBondContact O-OG1 3.08Å; P83-S87 WeakPolarHBondContact O-CB 3.36Å; P83-S87 PolarHBondContact O-N 3.22Å; P83-S87 VanDerWaalsContact O-N 3.11Å; P83-S87 PolarHBondContact O-OG 2.88Å; P83-I123 HydrophobicContact CB-CB 4.35Å; P83-I123 HydrophobicContact CB-CG2 4.01Å; P83-T124 HydrophobicContact CB-CG2 3.42Å; P83-T124 VanDerWaalsContact CB-CG2 3.42Å; P83-T124 HydrophobicContact CG-CG2 3.54Å
84I83.1Confident78.5Confident6 Ų628.1 Ų28.13%0.03115%0.154CC..Hα-helixtrans-78.2-47.5-178.4-43.4-167.1000109.9I81 S82 S87 G88 V162 L163 D166 I179I81-I84 HydrophobicContact CG2-CB 3.89Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 4.21Å; I81-I84 WeakPolarHBondContact O-CB 3.4Å; I81-I84 PolarHBondContact O-N 3.14Å; S82-I84 PolarHBondContact O-N 3.37Å; I84-S87 PolarHBondContact O-OG 3.22Å; I84-G88 PolarHBondContact O-N 3.47Å; I84-V162 HydrophobicContact CD1-CB 4.26Å; I84-V162 HydrophobicContact CD1-CG1 3.58Å; I84-L163 HydrophobicContact CB-CD2 4.34Å; I84-L163 HydrophobicContact CD1-CD2 3.8Å; I84-L163 HydrophobicContact CD1-CG 3.99Å; I84-L163 HydrophobicContact CG1-CD2 3.58Å; I84-L163 HydrophobicContact CG1-CG 4.05Å; I84-L163 HydrophobicContact CG2-CD2 4.3Å; I84-D166 HydrophobicContact CD1-CB 4.34Å; I84-I179 HydrophobicContact CG2-CD1 3.84Å; I84-I179 HydrophobicContact CG2-CG1 4Å
85V80.5Confident78.6Confident42 Ų4229.1 Ų29.126%0.25516%0.161SC..Hα-helixtrans-65-44177.4-179.80000110.9I81 S82 G88 L89 I179I81-V85 HydrophobicContact CB-CG2 4.39Å; I81-V85 HydrophobicContact CG2-CG2 3.95Å; I81-V85 PolarHBondContact O-N 3.43Å; S82-V85 PolarHBondContact O-N 3.26Å; V85-G88 PolarHBondContact O-N 3.26Å; V85-L89 VanDerWaalsContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 PolarHBondContact O-N 3.34Å; V85-I179 HydrophobicContact CG2-CG2 3.73Å
86T80.1Confident77.9Confident44 Ų4430 Ų3027%0.2717%0.173SC..Hα-helixtrans-65.4-46.2-179.651.80000111.9S82 P83 G88 L89 I90S82-T86 VanDerWaalsContact O-CB 3.32Å; S82-T86 WeakPolarHBondContact O-CB 3.39Å; S82-T86 VanDerWaalsContact O-CG2 3.24Å; S82-T86 WeakPolarHBondContact O-CG2 3.47Å; S82-T86 PolarHBondContact O-N 3.42Å; S82-T86 PolarHBondContact O-OG1 3.42Å; P83-T86 WeakPolarHBondContact CA-OG1 3.25Å; P83-T86 PolarHBondContact O-OG1 3.08Å; T86-G88 VanDerWaalsContact C-N 3.35Å; T86-G88 PolarHBondContact O-N 3Å; T86-L89 PolarHBondContact O-N 3.25Å; T86-I90 WeakPolarHBondContact O-CB 3.4Å; T86-I90 WeakPolarHBondContact O-CD1 3.44Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.36Å
87S81.9Confident77.6Confident1 Ų131.3 Ų31.31%0.00719%0.188CC..Hα-helixtrans-63-40.9175.959.30000112.2P83 I84 M91P83-S87 WeakPolarHBondContact O-CB 3.36Å; P83-S87 PolarHBondContact O-N 3.22Å; P83-S87 VanDerWaalsContact O-N 3.11Å; P83-S87 PolarHBondContact O-OG 2.88Å; I84-S87 PolarHBondContact O-OG 3.22Å; S87-M91 WeakPolarHBondContact O-CB 3.46Å; S87-M91 VanDerWaalsContact O-CG 3.31Å; S87-M91 WeakPolarHBondContact O-CG 3.32Å; S87-M91 PolarHBondContact O-N 3.25Å
88G78.5Confident77.1Confident5 Ų539.4 Ų39.45%0.05222%0.223CC..Hα-helixtrans-62.4-46.6174.400000112.9I84 V85 T86 M91 Q92 Q116I84-G88 PolarHBondContact O-N 3.47Å; V85-G88 PolarHBondContact O-N 3.26Å; T86-G88 VanDerWaalsContact C-N 3.35Å; T86-G88 PolarHBondContact O-N 3Å; G88-M91 PolarHBondContact O-N 2.97Å; G88-Q92 VanDerWaalsContact O-CB 3.31Å; G88-Q92 WeakPolarHBondContact O-CB 3.42Å; G88-Q92 WeakPolarHBondContact O-CG 3.37Å; G88-Q92 PolarHBondContact O-N 3.4Å; G88-Q116 VanDerWaalsContact CA-NE2 3.25Å
89L75.4Confident77Confident75 Ų7545.3 Ų45.339%0.39325%0.254SS..Hα-helixtrans-64.2-44.6179.2-167.781.8000111.7V85 T86 M91 Q92 L93 L293V85-L89 VanDerWaalsContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 PolarHBondContact O-N 3.34Å; T86-L89 PolarHBondContact O-N 3.25Å; L89-M91 VanDerWaalsContact C-N 3.34Å; L89-M91 PolarHBondContact O-N 3.3Å; L89-Q92 PolarHBondContact O-N 2.84Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 PolarHBondContact O-N 3.31Å; L89-L293 HydrophobicContact CD1-CD2 3.54Å; L89-L293 HydrophobicContact CD2-CD2 4.41Å
90I79.8Confident76.6Confident77 Ų7746.5 Ų46.540%0.39526%0.26SS..Hα-helixtrans-60.7-46.1177.7-69.4165000110.1T86 L93 L94 I123T86-I90 WeakPolarHBondContact O-CB 3.4Å; T86-I90 WeakPolarHBondContact O-CD1 3.44Å; T86-I90 WeakPolarHBondContact O-CG1 3.36Å; T86-I90 PolarHBondContact O-N 3.36Å; I90-L93 PolarHBondContact O-N 3.33Å; I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.18Å; I90-L94 WeakPolarHBondContact O-CD1 3.17Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.11Å; I90-I123 HydrophobicContact CD1-CD1 4.31Å
91M79.8Confident75.7Confident4 Ų454.8 Ų54.82%0.0230%0.297CS..Hα-helixtrans-65.9-41.7178.9-77.9-63.5175.600113S87 G88 L89 L94 A95 F112 A115 Q116 F119S87-M91 WeakPolarHBondContact O-CB 3.46Å; S87-M91 VanDerWaalsContact O-CG 3.31Å; S87-M91 WeakPolarHBondContact O-CG 3.32Å; S87-M91 PolarHBondContact O-N 3.25Å; G88-M91 PolarHBondContact O-N 2.97Å; L89-M91 VanDerWaalsContact C-N 3.34Å; L89-M91 PolarHBondContact O-N 3.3Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-L94 HydrophobicContact SD-CD1 4.37Å; M91-A95 WeakPolarHBondContact O-CB 3.45Å; M91-A95 PolarHBondContact O-N 2.88Å; M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.98Å; M91-F112 HydrophobicContact CB-CZ 3.62Å; M91-F112 HydrophobicContact SD-CE2 4.25Å; M91-A115 HydrophobicContact CE-CB 3.97Å; M91-Q116 HydrophobicContact CG-CB 4.09Å; M91-Q116 HydrophobicContact CG-CG 4.3Å; M91-F119 HydrophobicContact CE-CB 4.41Å; M91-F119 HydrophobicContact CE-CD2 2.99Å; M91-F119 HydrophobicContact CE-CE2 3.2Å; M91-F119 HydrophobicContact CE-CG 3.8Å; M91-F119 HydrophobicContact CE-CZ 4.14Å
92Q73.1Confident74.8Confident93 Ų9357.2 Ų57.244%0.43531%0.312SS..Hα-helixtrans-64-41174.8-75.5175.1-2.100111.8G88 L89 A95 G96G88-Q92 VanDerWaalsContact O-CB 3.31Å; G88-Q92 WeakPolarHBondContact O-CB 3.42Å; G88-Q92 WeakPolarHBondContact O-CG 3.37Å; G88-Q92 PolarHBondContact O-N 3.4Å; L89-Q92 PolarHBondContact O-N 2.84Å; Q92-A95 PolarHBondContact O-N 3.23Å; Q92-G96 PolarHBondContact O-N 3.14Å
93L74.1Confident73.9Confident117 Ų11758.4 Ų58.461%0.61333%0.325SS*.Hα-helixtrans-64.6-43.4176.5-176.369.1000111.4L89 I90 A95 G96 A97L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 PolarHBondContact O-N 3.31Å; I90-L93 PolarHBondContact O-N 3.33Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.44Å; L93-G96 PolarHBondContact O-N 2.88Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.33Å
94L77Confident73.1Confident49 Ų4964.7 Ų64.726%0.25736%0.358SS..Hα-helixtrans-63.2-40177.6-75.2163.5000112.5I90 M91 I99 I100I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.18Å; I90-L94 WeakPolarHBondContact O-CD1 3.17Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.11Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-L94 HydrophobicContact SD-CD1 4.37Å; L94-I99 HydrophobicContact CD2-CD1 4.45Å; L94-I99 HydrophobicContact CD2-CG2 4.39Å; L94-I99 PolarHBondContact O-N 3.4Å; L94-I100 HydrophobicContact CB-CD1 3.82Å; L94-I100 HydrophobicContact CB-CG1 4.18Å; L94-I100 HydrophobicContact CD1-CD1 4.07Å; L94-I100 HydrophobicContact CD2-CD1 4.46Å; L94-I100 HydrophobicContact CG-CD1 4.35Å; L94-I100 PolarHBondContact O-N 3.36Å
95A72.1Confident72.8Confident33 Ų3367.5 Ų67.527%0.27338%0.375SS..Hα-helixtrans-69.6-44.5174.400000111.7M91 Q92 L93 K98 V102 F112M91-A95 WeakPolarHBondContact O-CB 3.45Å; M91-A95 PolarHBondContact O-N 2.88Å; Q92-A95 PolarHBondContact O-N 3.23Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.44Å; A95-K98 WeakPolarHBondContact O-CA 3.2Å; A95-K98 PolarHBondContact O-N 2.83Å; A95-V102 HydrophobicContact CB-CG2 4.29Å; A95-F112 HydrophobicContact CB-CE2 4.22Å; A95-F112 HydrophobicContact CB-CZ 4.47Å
96G67.8Low72.3Confident34 Ų3470.8 Ų70.835%0.35140%0.398SS..Hα-helixtrans-66.7-38-179.700000113.5Q92 L93 K98Q92-G96 PolarHBondContact O-N 3.14Å; L93-G96 PolarHBondContact O-N 2.88Å; G96-K98 PolarHBondContact O-N 3.41Å; G96-K98 VanDerWaalsContact O-N 3.15Å
97A72.3Confident72Confident57 Ų5776.6 Ų76.647%0.47142%0.419SS..THydrogen-bonded Turntrans-70.2-2172.400000113.2L93 I99L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.33Å; A97-I99 HydrophobicContact CB-CD1 3.88Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.3Å
98K69.4Low71.7Confident173 Ų17378.5 Ų78.575%0.75243%0.429SS*.THydrogen-bonded Turntrans54.322.5-175.6-58.3-178.2-179.8178.60113.7A95 G96 I100A95-K98 WeakPolarHBondContact O-CA 3.2Å; A95-K98 PolarHBondContact O-N 2.83Å; G96-K98 PolarHBondContact O-N 3.41Å; G96-K98 VanDerWaalsContact O-N 3.15Å; K98-I100 VanDerWaalsContact C-N 3.27Å
99I73.3Confident71.4Confident127 Ų12784.9 Ų84.965%0.65145%0.452SS*.SBendtrans-70.3-35171.9-62.3171.8000108.8L94 A97L94-I99 HydrophobicContact CD2-CD1 4.45Å; L94-I99 HydrophobicContact CD2-CG2 4.39Å; L94-I99 PolarHBondContact O-N 3.4Å; A97-I99 HydrophobicContact CB-CD1 3.88Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.3Å
100I67.3Low71.3Confident31 Ų3183.5 Ų83.516%0.15945%0.451CS..SBendtrans-113.4113.5172.9-55.9-178.6000108.5L94 K98 V102L94-I100 HydrophobicContact CB-CD1 3.82Å; L94-I100 HydrophobicContact CB-CG1 4.18Å; L94-I100 HydrophobicContact CD1-CD1 4.07Å; L94-I100 HydrophobicContact CD2-CD1 4.46Å; L94-I100 HydrophobicContact CG-CD1 4.35Å; L94-I100 PolarHBondContact O-N 3.36Å; K98-I100 VanDerWaalsContact C-N 3.27Å; I100-V102 HydrophobicContact CG2-CG2 3.86Å; I100-V102 PolarHBondContact O-N 3.32Å; I100-V102 VanDerWaalsContact O-N 3.15Å
101E61.3Low71.1Confident180 Ų18081.3 Ų81.384%0.84144%0.44SS*.  trans-76.697.1169.1-68.6-177171.700109.1
102V62.7Low71Confident50 Ų5082.7 Ų82.730%0.30345%0.446SS..  trans-86.2112.9171.2-1740000107.7A95 I100 F112A95-V102 HydrophobicContact CB-CG2 4.29Å; I100-V102 HydrophobicContact CG2-CG2 3.86Å; I100-V102 PolarHBondContact O-N 3.32Å; I100-V102 VanDerWaalsContact O-N 3.15Å; V102-F112 HydrophobicContact CG1-CB 4.18Å; V102-F112 HydrophobicContact CG1-CD2 4.25Å; V102-F112 HydrophobicContact CG1-CG 4.34Å; V102-F112 HydrophobicContact CG2-CD2 3.55Å; V102-F112 HydrophobicContact CG2-CE2 3.88Å; V102-F112 HydrophobicContact CG2-CG 4.41Å
103G61.6Low71.2Confident27 Ų2782.2 Ų82.228%0.27845%0.446SS..  trans-68.4153.7173.300000111.9T105 D108G103-T105 PolarHBondContact O-N 2.9Å; G103-T105 VanDerWaalsContact O-N 3.14Å; G103-D108 WeakPolarHBondContact O-CB 3.46Å
104D65Low71.3Confident133 Ų13377.4 Ų77.471%0.71143%0.425SS*.SBendtrans-73.14173-83.3-47.2000113.7R109D104-R109 IonicContact OD1-CZ 3.73Å; D104-R109 IonicContact OD1-NE 3.42Å; D104-R109 IonicContact OD1-NH2 3.73Å; D104-R109 PolarHBondContact OD1-NH2 2.93Å
105T75.4Confident71.5Confident65 Ų6575.2 Ų75.240%0.39941%0.414SS..SBendtrans-67.9145179.980.60000110.5G103 K107 D108 R109G103-T105 PolarHBondContact O-N 2.9Å; G103-T105 VanDerWaalsContact O-N 3.14Å; T105-K107 PolarHBondContact O-N 3.5Å; T105-K107 VanDerWaalsContact O-N 3.13Å; T105-D108 PolarHBondContact O-N 3.16Å; T105-D108 VanDerWaalsContact O-N 3.12Å; T105-D108 WeakPolarHBondContact OG1-CB 3.44Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.19Å; T105-R109 PolarHBondContact O-N 3.44Å
106P71.2Confident71.9Confident111 Ų11175.1 Ų75.172%0.72141%0.408SS*.Hα-helixtrans-61.3-25.7179.823.7-33.9000112.6A110P106-A110 WeakPolarHBondContact O-CB 3.46Å; P106-A110 PolarHBondContact O-N 2.95Å; P106-A110 VanDerWaalsContact O-N 3.16Å
107K73.8Confident72.5Confident166 Ų16674.5 Ų74.572%0.72240%0.396SS*.Hα-helixtrans-72.4-44.6175.5-68.4-175.6178.3179.90111.7T105 A110 L111T105-K107 PolarHBondContact O-N 3.5Å; T105-K107 VanDerWaalsContact O-N 3.13Å; K107-A110 PolarHBondContact O-N 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.03Å
108D74.1Confident73.1Confident41 Ų4173 Ų7322%0.21938%0.38CS..Hα-helixtrans-68.6-37.4179.8-61.9-33.2000111.3G103 T105 L111 F112G103-D108 WeakPolarHBondContact O-CB 3.46Å; T105-D108 PolarHBondContact O-N 3.16Å; T105-D108 VanDerWaalsContact O-N 3.12Å; T105-D108 WeakPolarHBondContact OG1-CB 3.44Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.19Å; D108-L111 PolarHBondContact O-N 3.44Å; D108-F112 WeakPolarHBondContact O-CB 3.42Å; D108-F112 PolarHBondContact O-N 2.92Å
109R73Confident73.8Confident140 Ų14067.6 Ų67.653%0.52836%0.356SS..Hα-helixtrans-63.4-40.1172.2-70.4-173.8177.1-170.51.2112.8D104 T105 F112 N113D104-R109 IonicContact OD1-CZ 3.73Å; D104-R109 IonicContact OD1-NE 3.42Å; D104-R109 IonicContact OD1-NH2 3.73Å; D104-R109 PolarHBondContact OD1-NH2 2.93Å; T105-R109 PolarHBondContact O-N 3.44Å; R109-F112 PolarHBondContact O-N 2.94Å; R109-N113 VanDerWaalsContact O-CG 3.24Å; R109-N113 PolarHBondContact O-N 3.44Å; R109-N113 PolarHBondContact O-OD1 2.74Å
110A73.2Confident74.3Confident46 Ų4661.5 Ų61.538%0.3833%0.325SS..Hα-helixtrans-65.1-41.8175.200000111.7P106 K107 N113 G114P106-A110 WeakPolarHBondContact O-CB 3.46Å; P106-A110 PolarHBondContact O-N 2.95Å; P106-A110 VanDerWaalsContact O-N 3.16Å; K107-A110 PolarHBondContact O-N 3.31Å; A110-N113 PolarHBondContact O-N 3.16Å; A110-G114 PolarHBondContact O-N 2.98Å
111L75.7Confident75.2Confident31 Ų3161.6 Ų61.616%0.16233%0.325CS..Hα-helixtrans-65.6-38.9175.6-70.9170.9000112.4L6 K10 K107 D108 G114 A115L6-L111 HydrophobicContact CB-CD1 4.39Å; L6-L111 HydrophobicContact CD2-CB 3.9Å; K10-L111 HydrophobicContact CG-CD2 3.83Å; K107-L111 WeakPolarHBondContact O-CG 3.24Å; K107-L111 PolarHBondContact O-N 3.03Å; D108-L111 PolarHBondContact O-N 3.44Å; L111-G114 PolarHBondContact O-N 3.28Å; L111-A115 VanDerWaalsContact O-CB 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.45Å
112F77.8Confident76.4Confident32 Ų3257.8 Ų57.814%0.1431%0.309CS..Hα-helixtrans-61.8-45.9175.1-175.8-95.4000111.5M91 A95 V102 D108 R109 A115 Q116M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.98Å; M91-F112 HydrophobicContact CB-CZ 3.62Å; M91-F112 HydrophobicContact SD-CE2 4.25Å; A95-F112 HydrophobicContact CB-CE2 4.22Å; A95-F112 HydrophobicContact CB-CZ 4.47Å; V102-F112 HydrophobicContact CG1-CB 4.18Å; V102-F112 HydrophobicContact CG1-CD2 4.25Å; V102-F112 HydrophobicContact CG1-CG 4.34Å; V102-F112 HydrophobicContact CG2-CD2 3.55Å; V102-F112 HydrophobicContact CG2-CE2 3.88Å; V102-F112 HydrophobicContact CG2-CG 4.41Å; D108-F112 WeakPolarHBondContact O-CB 3.42Å; D108-F112 PolarHBondContact O-N 2.92Å; R109-F112 PolarHBondContact O-N 2.94Å; F112-A115 PolarHBondContact O-N 3.43Å; F112-Q116 WeakPolarHBondContact O-CB 3.44Å; F112-Q116 PolarHBondContact O-N 3.29Å
113N76.5Confident77.5Confident83 Ų8357.1 Ų57.144%0.44430%0.304SS..Hα-helixtrans-64.3-42.7176.2-68.1-6.5000111.9R109 A110 A115 Q116 K117R109-N113 VanDerWaalsContact O-CG 3.24Å; R109-N113 PolarHBondContact O-N 3.44Å; R109-N113 PolarHBondContact O-OD1 2.74Å; A110-N113 PolarHBondContact O-N 3.16Å; N113-A115 PolarHBondContact O-N 2.82Å; N113-Q116 PolarHBondContact O-N 3.16Å; N113-K117 PolarHBondContact O-N 3.25Å
114G77.9Confident78.7Confident16 Ų1656 Ų5617%0.16529%0.291CS..Hα-helixtrans-61.9-41.4175.300000112.5A110 L111 K117 L118A110-G114 PolarHBondContact O-N 2.98Å; L111-G114 PolarHBondContact O-N 3.28Å; G114-K117 PolarHBondContact O-N 3.19Å; G114-L118 WeakPolarHBondContact O-CB 3.43Å; G114-L118 PolarHBondContact O-N 2.95Å
115A80.8Confident79.8Confident3 Ų352.8 Ų52.83%0.02527%0.274CS..Hα-helixtrans-64.2-48.9174.400000111.4I9 M91 L111 F112 N113 K117 L118 F119I9-A115 HydrophobicContact CD1-CB 3.91Å; I9-A115 HydrophobicContact CG2-CB 4.32Å; M91-A115 HydrophobicContact CE-CB 3.97Å; L111-A115 VanDerWaalsContact O-CB 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.45Å; F112-A115 PolarHBondContact O-N 3.43Å; N113-A115 PolarHBondContact O-N 2.82Å; A115-K117 PolarHBondContact O-N 3.45Å; A115-L118 WeakPolarHBondContact O-CB 3.46Å; A115-L118 PolarHBondContact O-N 2.97Å; A115-F119 VanDerWaalsContact O-CD2 3.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.42Å; A115-F119 PolarHBondContact O-N 3.33Å
116Q80.4Confident80.3Confident31 Ų3151.4 Ų51.415%0.14527%0.272CS..Hα-helixtrans-53.7-42.8177.1-175.4-179.6-20.100111.3G88 M91 F112 N113 F119 G120G88-Q116 VanDerWaalsContact CA-NE2 3.25Å; M91-Q116 HydrophobicContact CG-CB 4.09Å; M91-Q116 HydrophobicContact CG-CG 4.3Å; F112-Q116 WeakPolarHBondContact O-CB 3.44Å; F112-Q116 PolarHBondContact O-N 3.29Å; N113-Q116 PolarHBondContact O-N 3.16Å; Q116-F119 PolarHBondContact O-N 3.14Å; Q116-G120 PolarHBondContact O-N 2.9Å
117K80.9Confident80.8Confident22 Ų2247.9 Ų47.910%0.09625%0.246CC..Hα-helixtrans-64.5-45175.8-176.8173.8-173.21630113.2P17 N113 G114 A115 F119 G120 M121 L164 E167P17-K117 PolarHBondContact O-NZ 3.36Å; N113-K117 PolarHBondContact O-N 3.25Å; G114-K117 PolarHBondContact O-N 3.19Å; A115-K117 PolarHBondContact O-N 3.45Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.02Å; K117-G120 PolarHBondContact O-N 3.13Å; K117-M121 PolarHBondContact O-N 3.12Å; K117-L164 VanDerWaalsContact NZ-CD2 3.27Å; K117-E167 IonicContact NZ-OE2 3.3Å; K117-E167 PolarHBondContact NZ-OE2 3.44Å
118L84.4Confident81.2Confident25 Ų2540 Ų4013%0.13121%0.212CC..Hα-helixtrans-59-46.5177.6-167.1158.1000110.5I9 F12 L16 G114 A115 M121 I122I9-L118 HydrophobicContact CG2-CD1 4.04Å; F12-L118 HydrophobicContact CB-CD1 3.36Å; F12-L118 HydrophobicContact CG-CD1 4.15Å; L16-L118 HydrophobicContact CD1-CB 3.89Å; L16-L118 HydrophobicContact CD1-CD1 4.3Å; L16-L118 HydrophobicContact CD1-CG 4.33Å; G114-L118 WeakPolarHBondContact O-CB 3.43Å; G114-L118 PolarHBondContact O-N 2.95Å; A115-L118 WeakPolarHBondContact O-CB 3.46Å; A115-L118 PolarHBondContact O-N 2.97Å; L118-M121 PolarHBondContact O-N 2.66Å; L118-I122 HydrophobicContact CD2-CD1 3.37Å; L118-I122 HydrophobicContact CD2-CG1 4.03Å; L118-I122 WeakPolarHBondContact O-CG1 3.22Å; L118-I122 PolarHBondContact O-N 2.92Å
119F83.2Confident81.6Confident59 Ų5941.1 Ų41.126%0.25922%0.217SC..Hα-helixtrans-62.5-41.8174.5-84.8-84.4000111.9F5 I9 M91 A115 Q116 K117 M121 I122 I123F5-F119 AromaticContact CE1-CE2 3.95Å; F5-F119 HydrophobicContact CE1-CE2 3.95Å; F5-F119 AromaticContact CE1-CZ 3.95Å; F5-F119 HydrophobicContact CE1-CZ 3.95Å; F5-F119 HydrophobicContact CZ-CE2 4.42Å; F5-F119 HydrophobicContact CZ-CZ 4.01Å; I9-F119 HydrophobicContact CD1-CE2 4.4Å; M91-F119 HydrophobicContact CE-CB 4.41Å; M91-F119 HydrophobicContact CE-CD2 2.99Å; M91-F119 HydrophobicContact CE-CE2 3.2Å; M91-F119 HydrophobicContact CE-CG 3.8Å; M91-F119 HydrophobicContact CE-CZ 4.14Å; A115-F119 VanDerWaalsContact O-CD2 3.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.42Å; A115-F119 PolarHBondContact O-N 3.33Å; Q116-F119 PolarHBondContact O-N 3.14Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.02Å; F119-M121 VanDerWaalsContact C-N 3.31Å; F119-M121 PolarHBondContact O-N 3.17Å; F119-I122 PolarHBondContact O-N 3.39Å; F119-I123 WeakPolarHBondContact O-CB 3.32Å; F119-I123 WeakPolarHBondContact O-CD1 3.45Å; F119-I123 WeakPolarHBondContact O-CG1 3.22Å; F119-I123 PolarHBondContact O-N 2.88Å
120G84.4Confident82Confident0 Ų038.3 Ų38.30%022%0.215CC..Hα-helixtrans-55-46.5172.800000111.9Q116 K117 I123 T124Q116-G120 PolarHBondContact O-N 2.9Å; K117-G120 PolarHBondContact O-N 3.13Å; G120-I123 PolarHBondContact O-N 3.16Å; G120-T124 WeakPolarHBondContact O-CG2 3.49Å; G120-T124 PolarHBondContact O-N 3.04Å
121M85.7Confident82.1Confident32 Ų3237.3 Ų37.316%0.15820%0.202CC..Hα-helixtrans-65.1-44.6177.9-168.7-178.8-67.800112.5L16 K117 L118 F119 I123 T124 I125 F156 L160L16-M121 HydrophobicContact CD2-CE 3.45Å; L16-M121 VanDerWaalsContact CD2-CE 3.45Å; L16-M121 HydrophobicContact CD2-SD 3.98Å; K117-M121 PolarHBondContact O-N 3.12Å; L118-M121 PolarHBondContact O-N 2.66Å; F119-M121 VanDerWaalsContact C-N 3.31Å; F119-M121 PolarHBondContact O-N 3.17Å; M121-I123 VanDerWaalsContact C-N 3.3Å; M121-I123 PolarHBondContact O-N 2.89Å; M121-T124 WeakPolarHBondContact CA-OG1 3.4Å; M121-T124 PolarHBondContact O-N 2.68Å; M121-T124 PolarHBondContact O-OG1 3.02Å; M121-I125 WeakPolarHBondContact O-CG1 3.47Å; M121-I125 PolarHBondContact O-N 3.41Å; M121-I125 VanDerWaalsContact O-N 3.12Å; M121-F156 HydrophobicContact CG-CE2 3.62Å; M121-F156 HydrophobicContact CG-CZ 3.94Å; M121-F156 HydrophobicContact SD-CE2 4.38Å; M121-F156 HydrophobicContact SD-CZ 4.08Å; M121-L160 HydrophobicContact CE-CD1 4.03Å
122I87.2Confident82.1Confident100 Ų10036.2 Ų36.251%0.51320%0.197SC..Hα-helixtrans-61.2-42.6175.8-68.7178.8000110.8L118 F119 I125 G126L118-I122 HydrophobicContact CD2-CD1 3.37Å; L118-I122 HydrophobicContact CD2-CG1 4.03Å; L118-I122 WeakPolarHBondContact O-CG1 3.22Å; L118-I122 PolarHBondContact O-N 2.92Å; F119-I122 PolarHBondContact O-N 3.39Å; I122-I125 PolarHBondContact O-N 3.4Å; I122-G126 PolarHBondContact O-N 2.63Å
123I85.6Confident81.9Confident37 Ų3741.3 Ų41.319%0.1922%0.223CC..Hα-helixtrans-65.5-39.8178.1-66.7165.7000110.7P83 I90 F119 G120 M121 I125 G126 Q127P83-I123 HydrophobicContact CB-CB 4.35Å; P83-I123 HydrophobicContact CB-CG2 4.01Å; I90-I123 HydrophobicContact CD1-CD1 4.31Å; F119-I123 WeakPolarHBondContact O-CB 3.32Å; F119-I123 WeakPolarHBondContact O-CD1 3.45Å; F119-I123 WeakPolarHBondContact O-CG1 3.22Å; F119-I123 PolarHBondContact O-N 2.88Å; G120-I123 PolarHBondContact O-N 3.16Å; M121-I123 VanDerWaalsContact C-N 3.3Å; M121-I123 PolarHBondContact O-N 2.89Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 2.72Å; I123-G126 PolarHBondContact O-N 2.65Å; I123-Q127 HydrophobicContact CG2-CG 4.09Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 WeakPolarHBondContact O-CG 3.36Å; I123-Q127 PolarHBondContact O-N 2.97Å
124T86.4Confident81.6Confident2 Ų241.4 Ų41.41%0.01223%0.226CC..Hα-helixtrans-57.9-46.1174.9590000111.6L79 P83 G120 M121 A128 L163L79-T124 WeakPolarHBondContact CD2-O 3.42Å; P83-T124 HydrophobicContact CB-CG2 3.42Å; P83-T124 VanDerWaalsContact CB-CG2 3.42Å; P83-T124 HydrophobicContact CG-CG2 3.54Å; G120-T124 WeakPolarHBondContact O-CG2 3.49Å; G120-T124 PolarHBondContact O-N 3.04Å; M121-T124 WeakPolarHBondContact CA-OG1 3.4Å; M121-T124 PolarHBondContact O-N 2.68Å; M121-T124 PolarHBondContact O-OG1 3.02Å; T124-A128 VanDerWaalsContact O-CB 3.25Å; T124-A128 WeakPolarHBondContact O-CB 3.35Å; T124-A128 PolarHBondContact O-N 3.23Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å
125I87.8Confident81Confident67 Ų6741.8 Ų41.834%0.34423%0.23SC..Hα-helixtrans-65.2-47.8179.5-65.7167.1000109.9M121 I122 I123 Q127 A128 I129 F156M121-I125 WeakPolarHBondContact O-CG1 3.47Å; M121-I125 PolarHBondContact O-N 3.41Å; M121-I125 VanDerWaalsContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.4Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 2.72Å; I125-Q127 PolarHBondContact O-N 3.01Å; I125-A128 PolarHBondContact O-N 3.44Å; I125-I129 HydrophobicContact CG2-CD1 3.73Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.73Å; I125-F156 HydrophobicContact CD1-CD2 4.02Å; I125-F156 HydrophobicContact CD1-CE2 3.5Å; I125-F156 HydrophobicContact CD1-CZ 4.08Å; I125-F156 HydrophobicContact CG1-CD2 3.31Å; I125-F156 HydrophobicContact CG1-CE2 3.31Å; I125-F156 HydrophobicContact CG1-CG 4.28Å; I125-F156 HydrophobicContact CG1-CZ 4.29Å
126G85.5Confident80.3Confident35 Ų3543 Ų4336%0.36124%0.235SC..Hα-helixtrans-59.9-46.8179.800000112.5I122 I123 I129 V130I122-G126 PolarHBondContact O-N 2.63Å; I123-G126 PolarHBondContact O-N 2.65Å; G126-I129 PolarHBondContact O-N 3.39Å; G126-V130 VanDerWaalsContact O-CG2 3.25Å; G126-V130 WeakPolarHBondContact O-CG2 3.24Å; G126-V130 PolarHBondContact O-N 2.88Å
127Q81.7Confident79.4Confident37 Ų3741.9 Ų41.917%0.17323%0.23CC..Hα-helixtrans-66.1-42177.5-76.1-176.3-800112.3L79 S82 I123 I125 I129 V130 Y131L79-Q127 HydrophobicContact CD2-CB 3.54Å; L79-Q127 HydrophobicContact CG-CB 4.49Å; S82-Q127 VanDerWaalsContact OG-CD 3.31Å; S82-Q127 PolarHBondContact OG-NE2 3.49Å; S82-Q127 PolarHBondContact OG-OE1 3.11Å; I123-Q127 HydrophobicContact CG2-CG 4.09Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 WeakPolarHBondContact O-CG 3.36Å; I123-Q127 PolarHBondContact O-N 2.97Å; I125-Q127 PolarHBondContact O-N 3.01Å; Q127-I129 VanDerWaalsContact C-N 3.33Å; Q127-I129 PolarHBondContact O-N 3.5Å; Q127-V130 PolarHBondContact O-N 3.27Å; Q127-Y131 WeakPolarHBondContact O-CB 3.35Å; Q127-Y131 PolarHBondContact O-N 2.87Å
128A82.9Confident78.6Confident0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-60.8-43.2177.500000111.6L79 T124 I125 Y131 V132 I152 L155L79-A128 HydrophobicContact CD1-CB 4.49Å; T124-A128 VanDerWaalsContact O-CB 3.25Å; T124-A128 WeakPolarHBondContact O-CB 3.35Å; T124-A128 PolarHBondContact O-N 3.23Å; I125-A128 PolarHBondContact O-N 3.44Å; A128-Y131 PolarHBondContact O-N 2.88Å; A128-V132 WeakPolarHBondContact O-CG2 3.05Å; A128-V132 PolarHBondContact O-N 3.22Å; A128-V132 VanDerWaalsContact O-N 3.14Å; A128-I152 HydrophobicContact CB-CG2 4.44Å; A128-L155 HydrophobicContact CB-CB 4.09Å; A128-L155 HydrophobicContact CB-CD1 4.32Å
129I82.6Confident77.6Confident66 Ų6645.3 Ų45.334%0.33825%0.252SS..Hα-helixtrans-62.3-48175-67.7167.2000110.4I125 G126 Q127 Y131 V132 M133 I152I125-I129 HydrophobicContact CG2-CD1 3.73Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.73Å; G126-I129 PolarHBondContact O-N 3.39Å; Q127-I129 VanDerWaalsContact C-N 3.33Å; Q127-I129 PolarHBondContact O-N 3.5Å; I129-Y131 PolarHBondContact O-N 3.08Å; I129-V132 PolarHBondContact O-N 3.45Å; I129-M133 HydrophobicContact CG2-CG 4.12Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.43Å; I129-M133 VanDerWaalsContact O-CG 3.27Å; I129-M133 WeakPolarHBondContact O-CG 3.45Å; I129-M133 PolarHBondContact O-N 2.85Å; I129-I152 HydrophobicContact CG1-CD1 4.32Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å
130V81.5Confident76.5Confident80 Ų8045.1 Ų45.149%0.48526%0.257SS..Hα-helixtrans-61.8-43.1-179.5170.70000111.3G126 Q127 V132 M133 T134G126-V130 VanDerWaalsContact O-CG2 3.25Å; G126-V130 WeakPolarHBondContact O-CG2 3.24Å; G126-V130 PolarHBondContact O-N 2.88Å; Q127-V130 PolarHBondContact O-N 3.27Å; V130-V132 PolarHBondContact O-N 2.94Å; V130-M133 PolarHBondContact O-N 3.48Å; V130-T134 HydrophobicContact CG1-CG2 3.97Å; V130-T134 VanDerWaalsContact O-CB 3.28Å; V130-T134 WeakPolarHBondContact O-CB 3.35Å; V130-T134 WeakPolarHBondContact O-CG2 3.25Å; V130-T134 PolarHBondContact O-N 2.93Å; V130-T134 PolarHBondContact O-OG1 3.4Å
131Y74.8Confident75.4Confident25 Ų2550.1 Ų50.110%0.09829%0.292CS..Hα-helixtrans-65.2-38.6179.9-76.32.5000112.8F62 E78 Q127 A128 I129 T134 M136F62-Y131 HydrophobicContact CE2-CE1 4.24Å; E78-Y131 HydrophobicContact CG-CD2 4.46Å; Q127-Y131 WeakPolarHBondContact O-CB 3.35Å; Q127-Y131 PolarHBondContact O-N 2.87Å; A128-Y131 PolarHBondContact O-N 2.88Å; I129-Y131 PolarHBondContact O-N 3.08Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.32Å; Y131-T134 PolarHBondContact O-OG1 3.38Å; Y131-T134 VanDerWaalsContact O-OG1 3.13Å; Y131-M136 HydrophobicContact CD1-SD 4.19Å; Y131-M136 HydrophobicContact CG-SD 4.43Å
132V76.9Confident74.5Confident9 Ų955.4 Ų55.46%0.05532%0.321CS..Hα-helixtrans-72.3-41.5175.6176.20000111.5A128 I129 V130 G135 Y137 C148 I151 I152A128-V132 WeakPolarHBondContact O-CG2 3.05Å; A128-V132 PolarHBondContact O-N 3.22Å; A128-V132 VanDerWaalsContact O-N 3.14Å; I129-V132 PolarHBondContact O-N 3.45Å; V130-V132 PolarHBondContact O-N 2.94Å; V132-G135 PolarHBondContact O-N 3.44Å; V132-Y137 HydrophobicContact CG2-CD2 4.09Å; V132-Y137 HydrophobicContact CG2-CE2 4.11Å; V132-C148 HydrophobicContact CG1-CB 3.71Å; V132-I151 HydrophobicContact CG2-CB 4.34Å; V132-I151 HydrophobicContact CG2-CG2 3.75Å; V132-I152 HydrophobicContact CB-CD1 4.38Å; V132-I152 HydrophobicContact CB-CG1 4.13Å; V132-I152 HydrophobicContact CG1-CD1 4.38Å; V132-I152 HydrophobicContact CG1-CG1 4.39Å; V132-I152 HydrophobicContact CG2-CG1 3.82Å
133M72.9Confident73.3Confident139 Ų13951.2 Ų51.269%0.68530%0.299SS*.Hα-helixtrans-72.5-27.8-179.9-72.2-174.173.200114I129 V130 G135I129-M133 HydrophobicContact CG2-CG 4.12Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.43Å; I129-M133 VanDerWaalsContact O-CG 3.27Å; I129-M133 WeakPolarHBondContact O-CG 3.45Å; I129-M133 PolarHBondContact O-N 2.85Å; V130-M133 PolarHBondContact O-N 3.48Å; M133-G135 PolarHBondContact O-N 3.12Å
134T70.9Confident72.6Confident85 Ų8551 Ų5152%0.52131%0.306SS..THydrogen-bonded Turntrans-74.2-0.7176.647.60000113V130 Y131 M136V130-T134 HydrophobicContact CG1-CG2 3.97Å; V130-T134 VanDerWaalsContact O-CB 3.28Å; V130-T134 WeakPolarHBondContact O-CB 3.35Å; V130-T134 WeakPolarHBondContact O-CG2 3.25Å; V130-T134 PolarHBondContact O-N 2.93Å; V130-T134 PolarHBondContact O-OG1 3.4Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.32Å; Y131-T134 PolarHBondContact O-OG1 3.38Å; Y131-T134 VanDerWaalsContact O-OG1 3.13Å; T134-M136 VanDerWaalsContact C-N 3.28Å; T134-M136 PolarHBondContact O-N 3.35Å
135G65.2Low72Confident23 Ų2355 Ų5524%0.23734%0.339CS..THydrogen-bonded Turntrans74.215.9175.800000113.7V132 M133 Y137 G138V132-G135 PolarHBondContact O-N 3.44Å; M133-G135 PolarHBondContact O-N 3.12Å; G135-Y137 PolarHBondContact O-N 3.47Å; G135-Y137 VanDerWaalsContact O-N 3.09Å; G135-G138 WeakPolarHBondContact CA-O 3.48Å; G135-G138 PolarHBondContact O-N 3.16Å; G135-G138 VanDerWaalsContact O-N 3.11Å
136M64.9Low71.6Confident28 Ų2854.5 Ų54.514%0.13835%0.35CS..THydrogen-bonded Turntrans-60.3-22.5-178.7-72.4-169.664.800113.3F62 Y131 T134F62-M136 HydrophobicContact CD2-CE 4.09Å; F62-M136 HydrophobicContact CD2-SD 4.46Å; F62-M136 HydrophobicContact CE2-CE 4.29Å; F62-M136 HydrophobicContact CE2-SD 4.08Å; Y131-M136 HydrophobicContact CD1-SD 4.19Å; Y131-M136 HydrophobicContact CG-SD 4.43Å; T134-M136 VanDerWaalsContact C-N 3.28Å; T134-M136 PolarHBondContact O-N 3.35Å
137Y62.5Low71.3Confident8 Ų856 Ų563%0.03135%0.35CS..THydrogen-bonded Turntrans-103-6.8-179.7-58.2-67.5000114.4L50 I53 E78 V132 G135 I151L50-Y137 HydrophobicContact CD1-CE1 4.16Å; I53-Y137 HydrophobicContact CG1-CD1 4.26Å; E78-Y137 VanDerWaalsContact CG-OH 3.29Å; E78-Y137 WeakPolarHBondContact CG-OH 3.24Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.45Å; E78-Y137 PolarHBondContact OE2-OH 3.19Å; V132-Y137 HydrophobicContact CG2-CD2 4.09Å; V132-Y137 HydrophobicContact CG2-CE2 4.11Å; G135-Y137 PolarHBondContact O-N 3.47Å; G135-Y137 VanDerWaalsContact O-N 3.09Å; Y137-I151 HydrophobicContact CE2-CG2 4.48Å
138G62.7Low71Confident12 Ų1254.9 Ų54.912%0.12435%0.346CS..SBendtrans135.6157.4-168.800000111.1G135G135-G138 WeakPolarHBondContact CA-O 3.48Å; G135-G138 PolarHBondContact O-N 3.16Å; G135-G138 VanDerWaalsContact O-N 3.11Å
139D64.1Low71.1Confident107 Ų10760 Ų6057%0.57237%0.373SS*.  trans-63.5130.7176.3-92.2-53.1000110S141 D142 M143D139-S141 PolarHBondContact O-N 3.06Å; D139-D142 PolarHBondContact O-N 3.43Å; D139-M143 PolarHBondContact O-N 2.93Å
140P60.9Low71.2Confident56 Ų5660.5 Ų60.536%0.36438%0.375SS..Hα-helixtrans-55.9-22.9-178.6-26.433.6000114.1
141S61.6Low71.3Confident105 Ų10556.7 Ų56.773%0.73435%0.352SS*.Hα-helixtrans-70.1-34.6178.1-440000112.9D139D139-S141 PolarHBondContact O-N 3.06Å
142D65.7Low71.8Confident142 Ų14257.6 Ų57.676%0.75936%0.358SS*.Hα-helixtrans-95-27.9-174.8-68.6-20.2000112.4D139D139-D142 PolarHBondContact O-N 3.43Å
143M63.3Low72.4Confident13 Ų1361.5 Ų61.56%0.06438%0.378CS..Hα-helixtrans-76.9-21.9177.6-76.7172.869.100113.7D139 I147 I151D139-M143 PolarHBondContact O-N 2.93Å; M143-I147 HydrophobicContact CE-CG2 4.23Å; M143-I147 WeakPolarHBondContact O-CB 3.3Å; M143-I147 WeakPolarHBondContact O-CD1 3.46Å; M143-I147 WeakPolarHBondContact O-CG1 3.47Å; M143-I151 HydrophobicContact CE-CD1 3.29Å
144G69.3Low73.1Confident33 Ų3356.8 Ų56.834%0.3435%0.354SS..Hα-helixtrans73138.4-172.600000113G146 I147 C148G144-G146 PolarHBondContact O-N 3.37Å; G144-I147 PolarHBondContact O-N 2.95Å; G144-I147 VanDerWaalsContact O-N 3.11Å; G144-C148 PolarHBondContact O-N 3.2Å
145A75Confident73.8Confident85 Ų8552.8 Ų52.870%0.70233%0.33SS*.Hα-helixtrans-56.7-27.1-174.600000114.2L149A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 PolarHBondContact O-N 3.15Å
146G78.7Confident74.8Confident56 Ų5654.2 Ų54.258%0.57733%0.33SS*.Hα-helixtrans-68.3-41.7177.700000114G144 L149 L150G144-G146 PolarHBondContact O-N 3.37Å; G146-L149 PolarHBondContact O-N 3.48Å; G146-L150 PolarHBondContact O-N 3.36Å; G146-L150 VanDerWaalsContact O-N 3.08Å
147I78.9Confident76Confident68 Ų6856.4 Ų56.435%0.34934%0.344SS..Hα-helixtrans-72.6-41.4178.9-59.3-176.7000109.7M143 G144 L149 L150 I151M143-I147 HydrophobicContact CE-CG2 4.23Å; M143-I147 WeakPolarHBondContact O-CB 3.3Å; M143-I147 WeakPolarHBondContact O-CD1 3.46Å; M143-I147 WeakPolarHBondContact O-CG1 3.47Å; G144-I147 PolarHBondContact O-N 2.95Å; G144-I147 VanDerWaalsContact O-N 3.11Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.45Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.14Å; I147-I151 HydrophobicContact CG2-CD1 4.1Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.14Å
148C76.6Confident77.2Confident13 Ų1356.3 Ų56.39%0.08835%0.345CS..Hα-helixtrans-56.7-44.5173.8-67.40000112V132 G144 L150 I151 I152V132-C148 HydrophobicContact CG1-CB 3.71Å; G144-C148 PolarHBondContact O-N 3.2Å; C148-L150 VanDerWaalsContact C-N 3.35Å; C148-I151 PolarHBondContact O-N 3.43Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.28Å; C148-I152 VanDerWaalsContact O-N 3.1Å
149L83.2Confident78.3Confident108 Ų10856.1 Ų56.157%0.56534%0.343SS*.Hα-helixtrans-66.5-36.6177.4-172.9139.1000112.2A145 G146 I147 I152 I153A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 PolarHBondContact O-N 3.15Å; G146-L149 PolarHBondContact O-N 3.48Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 3.24Å; L149-I153 HydrophobicContact CD2-CD1 3.57Å; L149-I153 HydrophobicContact CD2-CG1 4.45Å; L149-I153 HydrophobicContact CG-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CG1 3.06Å; L149-I153 PolarHBondContact O-N 3.13Å
150L85.4Confident79.4Confident75 Ų7553 Ų5339%0.39333%0.326SS..Hα-helixtrans-64.9-42.8175.8-165155.1000111.6F51 G146 I147 C148 I152 I153 Q154F51-L150 HydrophobicContact CB-CD2 4.3Å; F51-L150 HydrophobicContact CD1-CD1 4.41Å; F51-L150 HydrophobicContact CD1-CD2 3.94Å; F51-L150 HydrophobicContact CG-CD2 4.5Å; G146-L150 PolarHBondContact O-N 3.36Å; G146-L150 VanDerWaalsContact O-N 3.08Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.14Å; C148-L150 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.18Å; L150-I153 PolarHBondContact O-N 3.36Å; L150-Q154 WeakPolarHBondContact O-CB 3.36Å; L150-Q154 PolarHBondContact O-N 3.03Å
151I83.2Confident80.7Confident1 Ų153.4 Ų53.41%0.00533%0.325CS..Hα-helixtrans-61.1-44.6175.5-67.5166.9000110.7F51 V132 Y137 M143 I147 C148 I153 Q154 L155F51-I151 VanDerWaalsContact O-CG1 3.27Å; F51-I151 WeakPolarHBondContact O-CG1 3.42Å; V132-I151 HydrophobicContact CG2-CB 4.34Å; V132-I151 HydrophobicContact CG2-CG2 3.75Å; Y137-I151 HydrophobicContact CE2-CG2 4.48Å; M143-I151 HydrophobicContact CE-CD1 3.29Å; I147-I151 HydrophobicContact CG2-CD1 4.1Å; I147-I151 WeakPolarHBondContact O-CG1 3.38Å; I147-I151 PolarHBondContact O-N 3.14Å; C148-I151 PolarHBondContact O-N 3.43Å; I151-I153 VanDerWaalsContact C-N 3.32Å; I151-I153 PolarHBondContact O-N 2.59Å; I151-Q154 PolarHBondContact O-N 3.3Å; I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.08Å; I151-L155 VanDerWaalsContact O-CG 3.3Å; I151-L155 WeakPolarHBondContact O-CG 3.37Å; I151-L155 PolarHBondContact O-N 3.37Å
152I85.6Confident82Confident43 Ų4348.5 Ų48.522%0.22129%0.29CS..Hα-helixtrans-58.9-45.8177.6-66.3167.5000110.6A128 I129 V132 C148 L149 L150 F156A128-I152 HydrophobicContact CB-CG2 4.44Å; I129-I152 HydrophobicContact CG1-CD1 4.32Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å; V132-I152 HydrophobicContact CB-CD1 4.38Å; V132-I152 HydrophobicContact CB-CG1 4.13Å; V132-I152 HydrophobicContact CG1-CD1 4.38Å; V132-I152 HydrophobicContact CG1-CG1 4.39Å; V132-I152 HydrophobicContact CG2-CG1 3.82Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.28Å; C148-I152 VanDerWaalsContact O-N 3.1Å; L149-I152 PolarHBondContact O-N 3.24Å; L150-I152 PolarHBondContact O-N 3.18Å; I152-F156 VanDerWaalsContact O-CB 3.27Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 3Å
153I88.9Confident83Confident91 Ų9142.3 Ų42.347%0.46726%0.257SS..Hα-helixtrans-64.3-43.5177.9-68.3172.7000110.8L149 L150 I151 F156 V157L149-I153 HydrophobicContact CD2-CD1 3.57Å; L149-I153 HydrophobicContact CD2-CG1 4.45Å; L149-I153 HydrophobicContact CG-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CG1 3.06Å; L149-I153 PolarHBondContact O-N 3.13Å; L150-I153 PolarHBondContact O-N 3.36Å; I151-I153 VanDerWaalsContact C-N 3.32Å; I151-I153 PolarHBondContact O-N 2.59Å; I153-F156 PolarHBondContact O-N 3.05Å; I153-V157 HydrophobicContact CG2-CG2 4.3Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.31Å; I153-V157 PolarHBondContact O-N 3.23Å
154Q87.9Confident84.1Confident41 Ų4143.8 Ų43.819%0.19227%0.265CS..Hα-helixtrans-62-45.7179.8-175.6173.9-0.800111.6L50 L76 L150 I151 V157 A158L50-Q154 HydrophobicContact CD2-CG 3.99Å; L76-Q154 HydrophobicContact CD2-CG 3.44Å; L76-Q154 VanDerWaalsContact CD2-CG 3.44Å; L150-Q154 WeakPolarHBondContact O-CB 3.36Å; L150-Q154 PolarHBondContact O-N 3.03Å; I151-Q154 PolarHBondContact O-N 3.3Å; Q154-V157 PolarHBondContact O-N 2.73Å; Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 2.95Å
155L86Confident85Confident1 Ų143 Ų431%0.00525%0.253CS..Hα-helixtrans-65.2-38.4175.8-70.2176.2000112.2L50 E78 L79 A128 I151 G159L50-L155 HydrophobicContact CD1-CD2 3.91Å; L50-L155 HydrophobicContact CD2-CD2 3.59Å; L50-L155 HydrophobicContact CD2-CG 4.17Å; L50-L155 HydrophobicContact CG-CD2 4.39Å; E78-L155 HydrophobicContact CB-CD2 4.19Å; L79-L155 HydrophobicContact CD1-CB 3.72Å; L79-L155 HydrophobicContact CD1-CD1 4Å; L79-L155 HydrophobicContact CD1-CD2 3.77Å; L79-L155 HydrophobicContact CD1-CG 4.03Å; A128-L155 HydrophobicContact CB-CB 4.09Å; A128-L155 HydrophobicContact CB-CD1 4.32Å; I151-L155 HydrophobicContact CG2-CD1 3.75Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.08Å; I151-L155 VanDerWaalsContact O-CG 3.3Å; I151-L155 WeakPolarHBondContact O-CG 3.37Å; I151-L155 PolarHBondContact O-N 3.37Å; L155-G159 PolarHBondContact O-N 3.4Å
156F87.2Confident85.5Confident53 Ų5339.3 Ų39.323%0.23222%0.221CC..Hα-helixtrans-64.7-46.2175.9177.8-111.4000112M121 I125 I152 I153 G159 L160M121-F156 HydrophobicContact CG-CE2 3.62Å; M121-F156 HydrophobicContact CG-CZ 3.94Å; M121-F156 HydrophobicContact SD-CE2 4.38Å; M121-F156 HydrophobicContact SD-CZ 4.08Å; I125-F156 HydrophobicContact CD1-CD2 4.02Å; I125-F156 HydrophobicContact CD1-CE2 3.5Å; I125-F156 HydrophobicContact CD1-CZ 4.08Å; I125-F156 HydrophobicContact CG1-CD2 3.31Å; I125-F156 HydrophobicContact CG1-CE2 3.31Å; I125-F156 HydrophobicContact CG1-CG 4.28Å; I125-F156 HydrophobicContact CG1-CZ 4.29Å; I152-F156 VanDerWaalsContact O-CB 3.27Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 3Å; I153-F156 PolarHBondContact O-N 3.05Å; F156-G159 PolarHBondContact O-N 2.7Å; F156-L160 HydrophobicContact CE1-CD1 4.27Å; F156-L160 HydrophobicContact CZ-CD1 4.16Å; F156-L160 WeakPolarHBondContact O-CB 2.93Å; F156-L160 PolarHBondContact O-N 3.32Å
157V89.3Confident85.8Confident74 Ų7437.7 Ų37.745%0.44820%0.199SC..Hα-helixtrans-63.2-43.8177.5171.70000110.6I153 Q154 L160 I161I153-V157 HydrophobicContact CG2-CG2 4.3Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.31Å; I153-V157 PolarHBondContact O-N 3.23Å; Q154-V157 PolarHBondContact O-N 2.73Å; V157-L160 PolarHBondContact O-N 3.48Å; V157-I161 HydrophobicContact CG1-CD1 4.06Å; V157-I161 WeakPolarHBondContact O-CG1 3.06Å; V157-I161 PolarHBondContact O-N 3.3Å
158A87.3Confident86.1Confident6 Ų635.7 Ų35.75%0.0519%0.189CC..Hα-helixtrans-60.7-47.7175.400000111.8L76 Q154 L160 I161 V162L76-A158 HydrophobicContact CB-CB 4.09Å; L76-A158 HydrophobicContact CD2-CB 4.34Å; L76-A158 VanDerWaalsContact O-CB 3.24Å; L76-A158 WeakPolarHBondContact O-CB 3.31Å; Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 2.95Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.11Å; A158-I161 WeakPolarHBondContact O-CB 3.23Å; A158-I161 PolarHBondContact O-N 3.25Å; A158-I161 VanDerWaalsContact O-N 3.15Å; A158-V162 WeakPolarHBondContact O-CG2 3.3Å; A158-V162 PolarHBondContact O-N 3.14Å
159G86.4Confident86.5Confident8 Ų835.1 Ų35.18%0.08219%0.185CC..Hα-helixtrans-60.2-37.8176.700000113.2L155 F156 V162 L163L155-G159 PolarHBondContact O-N 3.4Å; F156-G159 PolarHBondContact O-N 2.7Å; G159-V162 PolarHBondContact O-N 2.97Å; G159-L163 WeakPolarHBondContact O-CG 3.13Å; G159-L163 PolarHBondContact O-N 3.35Å
160L87.6Confident86.4Confident41 Ų4134.4 Ų34.422%0.21518%0.178CC..Hα-helixtrans-66.4-40.7175.4-168151.8000111.7M121 F156 V157 A158 L163 L164M121-L160 HydrophobicContact CE-CD1 4.03Å; F156-L160 HydrophobicContact CE1-CD1 4.27Å; F156-L160 HydrophobicContact CZ-CD1 4.16Å; F156-L160 WeakPolarHBondContact O-CB 2.93Å; F156-L160 PolarHBondContact O-N 3.32Å; V157-L160 PolarHBondContact O-N 3.48Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.11Å; L160-L163 PolarHBondContact O-N 3.45Å; L160-L164 HydrophobicContact CD2-CD1 3.51Å; L160-L164 HydrophobicContact CD2-CG 4.09Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 3.27Å
161I88.4Confident86.2Confident65 Ų6532.3 Ų32.333%0.33317%0.166SC..Hα-helixtrans-60.6-46.2174.5-68.1164.3000110.3V157 A158 L163 L164 L165V157-I161 HydrophobicContact CG1-CD1 4.06Å; V157-I161 WeakPolarHBondContact O-CG1 3.06Å; V157-I161 PolarHBondContact O-N 3.3Å; A158-I161 WeakPolarHBondContact O-CB 3.23Å; A158-I161 PolarHBondContact O-N 3.25Å; A158-I161 VanDerWaalsContact O-N 3.15Å; I161-L163 PolarHBondContact O-N 3.41Å; I161-L164 PolarHBondContact O-N 3.15Å; I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 3.24Å
162V87.3Confident85.9Confident1 Ų133.6 Ų33.61%0.00618%0.179CC..Hα-helixtrans-62.2-43.7178.5-175.50000111.5M77 I84 A158 G159 L164 L165 D166 F182M77-V162 HydrophobicContact CE-CG2 3.45Å; M77-V162 VanDerWaalsContact CE-CG2 3.45Å; M77-V162 HydrophobicContact SD-CG2 3.43Å; M77-V162 WeakPolarHBondContact SD-CG2 3.4Å; I84-V162 HydrophobicContact CD1-CB 4.26Å; I84-V162 HydrophobicContact CD1-CG1 3.58Å; A158-V162 WeakPolarHBondContact O-CG2 3.3Å; A158-V162 PolarHBondContact O-N 3.14Å; G159-V162 PolarHBondContact O-N 2.97Å; V162-L164 VanDerWaalsContact C-N 3.29Å; V162-L164 PolarHBondContact O-N 2.97Å; V162-L165 PolarHBondContact O-N 2.91Å; V162-D166 PolarHBondContact O-N 3.45Å; V162-F182 HydrophobicContact CG1-CD2 4.38Å; V162-F182 HydrophobicContact CG1-CE2 4.11Å
163L86.9Confident85.7Confident12 Ų1233.8 Ų33.86%0.06318%0.178CC..Hα-helixtrans-57.9-42.1175.5-80.7165.2000111.8I84 T124 G159 L160 I161 E167I84-L163 HydrophobicContact CB-CD2 4.34Å; I84-L163 HydrophobicContact CD1-CD2 3.8Å; I84-L163 HydrophobicContact CD1-CG 3.99Å; I84-L163 HydrophobicContact CG1-CD2 3.58Å; I84-L163 HydrophobicContact CG1-CG 4.05Å; I84-L163 HydrophobicContact CG2-CD2 4.3Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å; G159-L163 WeakPolarHBondContact O-CG 3.13Å; G159-L163 PolarHBondContact O-N 3.35Å; L160-L163 PolarHBondContact O-N 3.45Å; I161-L163 PolarHBondContact O-N 3.41Å; L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 3.44Å; L163-E167 VanDerWaalsContact O-N 3.14Å
164L86.9Confident85Confident44 Ų4429.7 Ų29.723%0.2316%0.158CC..Hα-helixtrans-69.7-39.7176.1-70.3176.3000112.4I19 K117 L160 I161 V162 E167 L168I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.37Å; I19-L164 WeakPolarHBondContact CD1-O 3.37Å; I19-L164 HydrophobicContact CG1-CD2 4.24Å; K117-L164 VanDerWaalsContact NZ-CD2 3.27Å; L160-L164 HydrophobicContact CD2-CD1 3.51Å; L160-L164 HydrophobicContact CD2-CG 4.09Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 3.27Å; I161-L164 PolarHBondContact O-N 3.15Å; V162-L164 VanDerWaalsContact C-N 3.29Å; V162-L164 PolarHBondContact O-N 2.97Å; L164-E167 PolarHBondContact O-N 2.77Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 PolarHBondContact O-N 3.29Å
165L87.8Confident84.4Confident16 Ų1628.5 Ų28.58%0.08415%0.153CC..Hα-helixtrans-64.3-40.6177.4-70.6173.3000111.9T38 I41 I161 V162 L168 L169 F182T38-L165 HydrophobicContact CG2-CD2 3.74Å; I41-L165 HydrophobicContact CB-CD1 4.34Å; I41-L165 HydrophobicContact CD1-CD2 4.32Å; I41-L165 HydrophobicContact CG2-CD1 3.88Å; I161-L165 HydrophobicContact CG2-CD1 3.93Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 3.24Å; V162-L165 PolarHBondContact O-N 2.91Å; L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 3.14Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.93Å; L165-F182 HydrophobicContact CB-CZ 3.94Å
166D86.4Confident83.9Confident8 Ų830.1 Ų30.14%0.04317%0.17CC..Hα-helixtrans-63.2-43.1174.1178.752.5000111.3I84 V162 L168 L169 Q170 G178 I179 F182I84-D166 HydrophobicContact CD1-CB 4.34Å; V162-D166 PolarHBondContact O-N 3.45Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.44Å; D166-L169 PolarHBondContact O-N 3.22Å; D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.4Å; D166-Q170 PolarHBondContact OD1-NE2 3.05Å; D166-Q170 PolarHBondContact OD2-NE2 2.85Å; D166-G178 WeakPolarHBondContact OD1-CA 3.49Å; D166-G178 PolarHBondContact OD1-N 3.04Å; D166-G178 VanDerWaalsContact OD1-N 3.14Å; D166-I179 PolarHBondContact OD1-N 3.11Å; D166-I179 VanDerWaalsContact OD1-N 3.15Å; D166-F182 HydrophobicContact CB-CE2 4.43Å
167E84.1Confident83.5Confident22 Ų2229.6 Ų29.610%0.10317%0.173CC..Hα-helixtrans-63.9-38.1176.8-170.9-174.8153.700112.7E18 I19 K117 L163 L164 L169 Q170 K171E18-E167 VanDerWaalsContact CG-OE1 3.3Å; E18-E167 WeakPolarHBondContact CG-OE1 3.08Å; I19-E167 HydrophobicContact CB-CG 4.4Å; I19-E167 HydrophobicContact CD1-CB 4.24Å; I19-E167 HydrophobicContact CD1-CG 4.5Å; I19-E167 PolarHBondContact N-OE1 3.3Å; K117-E167 IonicContact NZ-OE2 3.3Å; K117-E167 PolarHBondContact NZ-OE2 3.44Å; L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 3.44Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 2.77Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.86Å; E167-Q170 PolarHBondContact O-N 3.44Å; E167-K171 HydrophobicContact CG-CD 3.94Å; E167-K171 HydrophobicContact CG-CG 4.32Å; E167-K171 WeakPolarHBondContact O-CB 3.14Å; E167-K171 WeakPolarHBondContact O-CG 3.19Å; E167-K171 PolarHBondContact O-N 3.3Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.41Å; E167-K171 IonicContact OE1-NZ 2.77Å; E167-K171 PolarHBondContact OE1-NZ 2.65Å
168L86.1Confident83.1Confident27 Ų2726.1 Ų26.114%0.14115%0.152CC..Hα-helixtrans-57.8-47.8175.2-171.9148.4000110I19 W34 T38 L164 L165 D166 Y173I19-L168 HydrophobicContact CD1-CB 3.69Å; I19-L168 HydrophobicContact CD1-CG 4.49Å; W34-L168 HydrophobicContact CE3-CD1 4.3Å; W34-L168 HydrophobicContact CE3-CD2 4.26Å; W34-L168 HydrophobicContact CZ3-CD1 4.31Å; T38-L168 HydrophobicContact CG2-CD2 3.75Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 PolarHBondContact O-N 3.29Å; L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 3.14Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.44Å; L168-Y173 HydrophobicContact CD2-CG 4.22Å; L168-Y173 HydrophobicContact CG-CD2 4.22Å; L168-Y173 HydrophobicContact CG-CG 4.24Å; L168-Y173 WeakPolarHBondContact O-CB 3.5Å; L168-Y173 WeakPolarHBondContact O-CD2 3.2Å; L168-Y173 PolarHBondContact O-N 3.15Å
169L85.1Confident82.8Confident1 Ų127.4 Ų27.41%0.00516%0.158CC..Iπ-helixtrans-65.6-47179.1-65.2173.5000111.1T35 T38 L165 D166 E167 K171 G172 G178 L181 F182T35-L169 HydrophobicContact CG2-CD2 4.44Å; T38-L169 HydrophobicContact CG2-CD2 4.16Å; T38-L169 HydrophobicContact CG2-CG 4.34Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.93Å; D166-L169 PolarHBondContact O-N 3.22Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.86Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.03Å; L169-G172 PolarHBondContact O-N 2.58Å; L169-G172 VanDerWaalsContact O-N 3.14Å; L169-G178 VanDerWaalsContact CD1-CA 3.44Å; L169-L181 HydrophobicContact CD1-CD2 3.97Å; L169-F182 HydrophobicContact CD1-CZ 4.29Å
170Q81.3Confident82.6Confident92 Ų9228.2 Ų28.243%0.4316%0.162SC..Iπ-helixtrans-65-29.5-179.5-71.5-178.518.100114.2D166 E167 G172D166-Q170 WeakPolarHBondContact O-CG 3.44Å; D166-Q170 PolarHBondContact O-N 3.4Å; D166-Q170 PolarHBondContact OD1-NE2 3.05Å; D166-Q170 PolarHBondContact OD2-NE2 2.85Å; E167-Q170 PolarHBondContact O-N 3.44Å; Q170-G172 PolarHBondContact O-N 2.98Å
171K81.6Confident82.5Confident32 Ų3227.1 Ų27.114%0.13916%0.156CC..Iπ-helixtrans-76.61.2177.4-75-175.6173.9-179.50114E18 I19 K21 P22 E167 L169 Y173E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 IonicContact OE1-NZ 3.17Å; E18-K171 PolarHBondContact OE1-NZ 3.32Å; I19-K171 HydrophobicContact CB-CD 4.12Å; I19-K171 HydrophobicContact CG2-CD 4.28Å; I19-K171 WeakPolarHBondContact O-CD 3.23Å; I19-K171 WeakPolarHBondContact O-CE 3.32Å; I19-K171 PolarHBondContact O-NZ 2.83Å; K21-K171 HydrophobicContact CG-CD 4.12Å; K21-K171 HydrophobicContact CG-CG 4.27Å; P22-K171 WeakPolarHBondContact CD-O 3.39Å; E167-K171 HydrophobicContact CG-CD 3.94Å; E167-K171 HydrophobicContact CG-CG 4.32Å; E167-K171 WeakPolarHBondContact O-CB 3.14Å; E167-K171 WeakPolarHBondContact O-CG 3.19Å; E167-K171 PolarHBondContact O-N 3.3Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.41Å; E167-K171 IonicContact OE1-NZ 2.77Å; E167-K171 PolarHBondContact OE1-NZ 2.65Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.03Å; K171-Y173 HydrophobicContact CB-CD2 4.38Å
172G76.4Confident82.3Confident27 Ų2724 Ų2428%0.27814%0.14SC..Iπ-helixtrans97.27.6171.100000114.8L169 Q170 G174L169-G172 PolarHBondContact O-N 2.58Å; L169-G172 VanDerWaalsContact O-N 3.14Å; Q170-G172 PolarHBondContact O-N 2.98Å; G172-G174 VanDerWaalsContact C-N 3.28Å
173Y80.1Confident82.1Confident47 Ų4724.3 Ų24.318%0.18414%0.142CC..Iπ-helixtrans-72.4-28.9164.3-63.6-91.5000110.9I19 Q20 P22 I26 K31 W34 L168 K171I19-Y173 HydrophobicContact CG2-CE2 3.98Å; Q20-Y173 WeakPolarHBondContact O-CE2 3.33Å; Q20-Y173 PolarHBondContact O-OH 3.48Å; P22-Y173 HydrophobicContact CB-CE1 4.19Å; P22-Y173 HydrophobicContact CB-CE2 4.46Å; P22-Y173 HydrophobicContact CG-CE2 4.35Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.63Å; I26-Y173 HydrophobicContact CD1-CG 3.72Å; K31-Y173 VanDerWaalsContact CA-O 3.25Å; K31-Y173 WeakPolarHBondContact CA-O 3.45Å; W34-Y173 WeakPolarHBondContact CB-O 3.45Å; L168-Y173 HydrophobicContact CD2-CG 4.22Å; L168-Y173 HydrophobicContact CG-CD2 4.22Å; L168-Y173 HydrophobicContact CG-CG 4.24Å; L168-Y173 WeakPolarHBondContact O-CB 3.5Å; L168-Y173 WeakPolarHBondContact O-CD2 3.2Å; L168-Y173 PolarHBondContact O-N 3.15Å; K171-Y173 HydrophobicContact CB-CD2 4.38Å
174G74.6Confident82Confident5 Ų524 Ų245%0.05214%0.141CC..SBendtrans-92.9161.7175.600000113.5T35 G172T35-G174 WeakPolarHBondContact OG1-CA 3.38Å; G172-G174 VanDerWaalsContact C-N 3.28Å
175L75.3Confident82Confident16 Ų1623 Ų238%0.08414%0.137CC..SBendtrans-74.3133151.7-63.4162000106.2F28 K31 V32 T35 Y457 F461 E464F28-L175 HydrophobicContact CD2-CD2 4.19Å; F28-L175 HydrophobicContact CE2-CD2 3.95Å; K31-L175 HydrophobicContact CB-CD2 4.49Å; K31-L175 HydrophobicContact CB-CG 4.32Å; K31-L175 HydrophobicContact CD-CD2 4.35Å; V32-L175 HydrophobicContact CG2-CD1 3.65Å; T35-L175 PolarHBondContact OG1-N 3.37Å; L175-Y457 HydrophobicContact CB-CD1 4.22Å; L175-Y457 HydrophobicContact CB-CE1 4.1Å; L175-Y457 VanDerWaalsContact O-CE1 3.22Å; L175-Y457 WeakPolarHBondContact O-CE1 3.26Å; L175-Y457 PolarHBondContact O-OH 3.11Å; L175-F461 HydrophobicContact CD1-CD2 4.32Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.33Å
176G75.1Confident81.8Confident36 Ų3622.6 Ų22.637%0.37113%0.134SC..SBendtrans65.3-149.9169.200000117.6
177S80.7Confident81.6Confident42 Ų4222.3 Ų22.329%0.29413%0.133SC..  trans-110.3133.4-175.5168.20000111.2I179 S180 L181 Y457S177-I179 PolarHBondContact O-N 3.47Å; S177-S180 PolarHBondContact O-N 2.94Å; S177-S180 PolarHBondContact O-OG 3.23Å; S177-L181 PolarHBondContact O-N 3.01Å; S177-Y457 PolarHBondContact N-OH 3.02Å; S177-Y457 PolarHBondContact O-OH 2.75Å
178G79.4Confident81.6Confident0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-59.5-43.2-178.700000113.7D166 L169 S180 L181 F182D166-G178 WeakPolarHBondContact OD1-CA 3.49Å; D166-G178 PolarHBondContact OD1-N 3.04Å; D166-G178 VanDerWaalsContact OD1-N 3.14Å; L169-G178 VanDerWaalsContact CD1-CA 3.44Å; G178-S180 VanDerWaalsContact C-N 3.34Å; G178-S180 PolarHBondContact O-N 2.9Å; G178-L181 PolarHBondContact O-N 3.46Å; G178-L181 VanDerWaalsContact O-N 3.11Å; G178-F182 WeakPolarHBondContact O-CD2 3.05Å; G178-F182 VanDerWaalsContact O-CG 3.23Å; G178-F182 WeakPolarHBondContact O-CG 3.32Å; G178-F182 PolarHBondContact O-N 3.23Å
179I82Confident81.5Confident34 Ų3424.3 Ų24.317%0.17415%0.146CC..Hα-helixtrans-51.2-52.6176.6-59.7172000111.4I81 I84 V85 D166 S177 L181 F182 I183I81-I179 HydrophobicContact CG2-CB 4.31Å; I81-I179 HydrophobicContact CG2-CG1 3.95Å; I81-I179 HydrophobicContact CG2-CG2 4.1Å; I84-I179 HydrophobicContact CG2-CD1 3.84Å; I84-I179 HydrophobicContact CG2-CG1 4Å; V85-I179 HydrophobicContact CG2-CG2 3.73Å; D166-I179 PolarHBondContact OD1-N 3.11Å; D166-I179 VanDerWaalsContact OD1-N 3.15Å; S177-I179 PolarHBondContact O-N 3.47Å; I179-L181 VanDerWaalsContact C-N 3.31Å; I179-L181 PolarHBondContact O-N 3.47Å; I179-F182 PolarHBondContact O-N 2.91Å; I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.47Å; I179-I183 PolarHBondContact O-N 2.82Å; I179-I183 VanDerWaalsContact O-N 3.17Å
180S81.6Confident81.2Confident24 Ų2426.5 Ų26.517%0.16816%0.16CC..Hα-helixtrans-62.3-40.3-178.9630000112.2S177 G178 A184 Y457S177-S180 PolarHBondContact O-N 2.94Å; S177-S180 PolarHBondContact O-OG 3.23Å; G178-S180 VanDerWaalsContact C-N 3.34Å; G178-S180 PolarHBondContact O-N 2.9Å; S180-A184 WeakPolarHBondContact O-CB 3.4Å; S180-A184 PolarHBondContact O-N 3.31Å; S180-Y457 WeakPolarHBondContact OG-CE2 3.07Å; S180-Y457 PolarHBondContact OG-OH 3.46Å
181L84.9Confident81.3Confident19 Ų1924.1 Ų24.110%0.09915%0.15CC..Hα-helixtrans-67.8-42.9-177-170.966.4000111.9T35 L39 L169 S177 G178 I179 A184 T185 Y457T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å; L39-L181 HydrophobicContact CD1-CD1 4.13Å; L39-L181 HydrophobicContact CD1-CD2 3.97Å; L39-L181 HydrophobicContact CD1-CG 4.15Å; L39-L181 HydrophobicContact CD2-CD1 4.36Å; L39-L181 HydrophobicContact CD2-CD2 3.82Å; L39-L181 HydrophobicContact CD2-CG 3.66Å; L39-L181 HydrophobicContact CG-CD2 3.68Å; L39-L181 HydrophobicContact CG-CG 4.02Å; L169-L181 HydrophobicContact CD1-CD2 3.97Å; S177-L181 PolarHBondContact O-N 3.01Å; G178-L181 PolarHBondContact O-N 3.46Å; G178-L181 VanDerWaalsContact O-N 3.11Å; I179-L181 VanDerWaalsContact C-N 3.31Å; I179-L181 PolarHBondContact O-N 3.47Å; L181-A184 PolarHBondContact O-N 3.49Å; L181-T185 WeakPolarHBondContact O-CB 3.37Å; L181-T185 PolarHBondContact O-N 3.45Å; L181-T185 PolarHBondContact O-OG1 2.86Å; L181-Y457 HydrophobicContact CB-CE2 4.41Å; L181-Y457 HydrophobicContact CD1-CE2 4.2Å
182F85.8Confident81.4Confident0 Ų026.6 Ų26.60%017%0.167CC..Hα-helixtrans-66.7-40.8178.6-62-31.6000112.1L39 F42 I81 V162 L165 D166 L169 G178 I179 T185 N186L39-F182 HydrophobicContact CD2-CD1 4.49Å; F42-F182 HydrophobicContact CB-CD1 3.95Å; F42-F182 HydrophobicContact CB-CE1 3.78Å; F42-F182 HydrophobicContact CD1-CB 4.44Å; F42-F182 AromaticContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CD1 3.84Å; F42-F182 HydrophobicContact CD1-CG 4.38Å; F42-F182 HydrophobicContact CD2-CB 4.37Å; F42-F182 AromaticContact CD2-CD1 3.67Å; F42-F182 HydrophobicContact CD2-CD1 3.67Å; F42-F182 HydrophobicContact CD2-CD2 4.28Å; F42-F182 AromaticContact CD2-CE1 3.97Å; F42-F182 HydrophobicContact CD2-CE1 3.97Å; F42-F182 AromaticContact CD2-CG 3.85Å; F42-F182 HydrophobicContact CD2-CG 3.85Å; F42-F182 HydrophobicContact CD2-CZ 4.4Å; F42-F182 HydrophobicContact CE1-CB 4.02Å; F42-F182 HydrophobicContact CE1-CD1 4.28Å; F42-F182 HydrophobicContact CE1-CG 4.4Å; F42-F182 HydrophobicContact CE2-CB 3.96Å; F42-F182 HydrophobicContact CE2-CD1 4.14Å; F42-F182 HydrophobicContact CE2-CD2 4.31Å; F42-F182 AromaticContact CE2-CG 3.89Å; F42-F182 HydrophobicContact CE2-CG 3.89Å; F42-F182 AromaticContact CG-CD1 3.52Å; F42-F182 HydrophobicContact CG-CD1 3.52Å; F42-F182 AromaticContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CG 4.13Å; F42-F182 HydrophobicContact CZ-CB 3.78Å; F42-F182 HydrophobicContact CZ-CD1 4.43Å; F42-F182 HydrophobicContact CZ-CG 4.17Å; I81-F182 HydrophobicContact CD1-CB 3.36Å; I81-F182 HydrophobicContact CD1-CD2 4.31Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.04Å; I81-F182 HydrophobicContact CG1-CD2 4.26Å; V162-F182 HydrophobicContact CG1-CD2 4.38Å; V162-F182 HydrophobicContact CG1-CE2 4.11Å; L165-F182 HydrophobicContact CB-CZ 3.94Å; D166-F182 HydrophobicContact CB-CE2 4.43Å; L169-F182 HydrophobicContact CD1-CZ 4.29Å; G178-F182 WeakPolarHBondContact O-CD2 3.05Å; G178-F182 VanDerWaalsContact O-CG 3.23Å; G178-F182 WeakPolarHBondContact O-CG 3.32Å; G178-F182 PolarHBondContact O-N 3.23Å; I179-F182 PolarHBondContact O-N 2.91Å; F182-T185 PolarHBondContact O-N 2.87Å; F182-N186 PolarHBondContact O-N 2.97Å; F182-N186 VanDerWaalsContact O-N 3.09Å
183I82.3Confident81.8Confident7 Ų731.8 Ų31.84%0.03618%0.179CC..Hα-helixtrans-60.5-51174-65.6170.3000110.5I81 I179 T185 N186 I187 I453I81-I183 HydrophobicContact CD1-CG1 3.66Å; I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.47Å; I179-I183 PolarHBondContact O-N 2.82Å; I179-I183 VanDerWaalsContact O-N 3.17Å; I183-T185 VanDerWaalsContact C-N 3.25Å; I183-T185 PolarHBondContact O-N 3.29Å; I183-N186 PolarHBondContact O-N 3.35Å; I183-I187 HydrophobicContact CG2-CD1 3.64Å; I183-I187 WeakPolarHBondContact O-CD1 3.4Å; I183-I187 VanDerWaalsContact O-CG1 3.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 2.93Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å
184A84.9Confident81.6Confident6 Ų631.9 Ų31.95%0.0518%0.18CC..Hα-helixtrans-60.4-37.9-179.400000112.1S180 L181 C188 I453S180-A184 WeakPolarHBondContact O-CB 3.4Å; S180-A184 PolarHBondContact O-N 3.31Å; L181-A184 PolarHBondContact O-N 3.49Å; A184-C188 WeakPolarHBondContact O-CB 3.16Å; A184-C188 PolarHBondContact O-N 3.12Å; A184-C188 PolarHBondContact O-SG 2.8Å; A184-I453 HydrophobicContact CB-CB 4.17Å; A184-I453 HydrophobicContact CB-CD1 4.34Å; A184-I453 HydrophobicContact CB-CG2 3.81Å
185T86.4Confident81.9Confident23 Ų2332 Ų3214%0.14118%0.18CC..Hα-helixtrans-66.7-47.3-179.9-58.40000112.1L39 L43 L181 F182 I183 I187 C188 E189L39-T185 HydrophobicContact CD2-CG2 4.14Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.3Å; L43-T185 HydrophobicContact CD1-CG2 4.25Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4Å; L181-T185 WeakPolarHBondContact O-CB 3.37Å; L181-T185 PolarHBondContact O-N 3.45Å; L181-T185 PolarHBondContact O-OG1 2.86Å; F182-T185 PolarHBondContact O-N 2.87Å; I183-T185 VanDerWaalsContact C-N 3.25Å; I183-T185 PolarHBondContact O-N 3.29Å; T185-I187 VanDerWaalsContact C-N 3.3Å; T185-I187 PolarHBondContact O-N 3.41Å; T185-C188 PolarHBondContact O-N 3.39Å; T185-E189 WeakPolarHBondContact O-CB 3.13Å; T185-E189 PolarHBondContact O-N 3.44Å
186N83.3Confident82.2Confident6 Ų636.5 Ų36.53%0.03220%0.199CC..Hα-helixtrans-64.4-35.5179.9-176.7-92.3000112.5A70 N72 F182 I183 E189 T190A70-N186 HydrophobicContact CB-CB 3.66Å; N72-N186 PolarHBondContact OD1-ND2 3.35Å; F182-N186 PolarHBondContact O-N 2.97Å; F182-N186 VanDerWaalsContact O-N 3.09Å; I183-N186 PolarHBondContact O-N 3.35Å; N186-E189 PolarHBondContact O-N 3.23Å; N186-T190 WeakPolarHBondContact O-CB 3.4Å; N186-T190 PolarHBondContact O-N 2.92Å; N186-T190 PolarHBondContact O-OG1 3.44Å
187I82.6Confident82.2Confident3 Ų334.8 Ų34.82%0.01518%0.182CC..Hα-helixtrans-67.5-44.3175.1-63.9164.7000110.2I183 T185 E189 T190 I191 G446 L449 A450I183-I187 HydrophobicContact CG2-CD1 3.64Å; I183-I187 WeakPolarHBondContact O-CD1 3.4Å; I183-I187 VanDerWaalsContact O-CG1 3.3Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 2.93Å; T185-I187 VanDerWaalsContact C-N 3.3Å; T185-I187 PolarHBondContact O-N 3.41Å; I187-E189 PolarHBondContact O-N 3.03Å; I187-T190 PolarHBondContact O-N 2.68Å; I187-I191 HydrophobicContact CG2-CD1 3.89Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.43Å; I187-I191 PolarHBondContact O-N 3.43Å; I187-G446 WeakPolarHBondContact CD1-O 3.48Å; I187-L449 HydrophobicContact CD1-CB 4.45Å; I187-A450 HydrophobicContact CB-CB 4.1Å; I187-A450 HydrophobicContact CD1-CB 4.34Å; I187-A450 HydrophobicContact CG2-CB 3.79Å
188C84.9Confident81.8Confident47 Ų4736.8 Ų36.832%0.31819%0.194SC..Hα-helixtrans-62.4-42.2175.3-67.80000112A184 T185 T190 I191 V192A184-C188 WeakPolarHBondContact O-CB 3.16Å; A184-C188 PolarHBondContact O-N 3.12Å; A184-C188 PolarHBondContact O-SG 2.8Å; T185-C188 PolarHBondContact O-N 3.39Å; C188-T190 PolarHBondContact O-N 3Å; C188-I191 PolarHBondContact O-N 2.89Å; C188-V192 WeakPolarHBondContact O-CB 3.43Å; C188-V192 VanDerWaalsContact O-CG2 3.29Å; C188-V192 WeakPolarHBondContact O-CG2 3.28Å; C188-V192 PolarHBondContact O-N 3.24Å
189E83.6Confident81.6Confident43 Ų4339.4 Ų39.420%0.20121%0.21CC..Hα-helixtrans-57.2-48.6174.3-179.5-177-173.200110.8Q47 T185 N186 I187 I191 V192 W193Q47-E189 PolarHBondContact NE2-OE1 3.49Å; T185-E189 WeakPolarHBondContact O-CB 3.13Å; T185-E189 PolarHBondContact O-N 3.44Å; N186-E189 PolarHBondContact O-N 3.23Å; I187-E189 PolarHBondContact O-N 3.03Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.34Å; E189-V192 PolarHBondContact O-N 3.5Å; E189-W193 VanDerWaalsContact O-CB 3.27Å; E189-W193 WeakPolarHBondContact O-CB 3.47Å; E189-W193 PolarHBondContact O-N 3.17Å
190T79.3Confident81Confident48 Ų4841.5 Ų41.529%0.29422%0.224SC..Hα-helixtrans-62-40178.5-59.10000112.3N186 I187 C188 K194N186-T190 WeakPolarHBondContact O-CB 3.4Å; N186-T190 PolarHBondContact O-N 2.92Å; N186-T190 PolarHBondContact O-OG1 3.44Å; I187-T190 PolarHBondContact O-N 2.68Å; C188-T190 PolarHBondContact O-N 3Å; T190-K194 HydrophobicContact CG2-CD 4.25Å; T190-K194 WeakPolarHBondContact O-CB 3.48Å; T190-K194 WeakPolarHBondContact O-CG 3.25Å; T190-K194 PolarHBondContact O-N 3.08Å
191I82.4Confident80.2Confident41 Ų4142.9 Ų42.921%0.2123%0.232CC..Hα-helixtrans-65.7-47.2177.6-68165.2000110.5I187 C188 E189 K194 A195 I447I187-I191 HydrophobicContact CG2-CD1 3.89Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.43Å; I187-I191 PolarHBondContact O-N 3.43Å; C188-I191 PolarHBondContact O-N 2.89Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.34Å; I191-K194 PolarHBondContact O-N 3.09Å; I191-A195 WeakPolarHBondContact O-CB 3.26Å; I191-A195 PolarHBondContact O-N 2.9Å; I191-I447 HydrophobicContact CD1-CG1 4.28Å
192V85.2Confident79.2Confident85 Ų8547.3 Ų47.352%0.51526%0.255SS..Hα-helixtrans-64.7-42.5178.7173.50000110.5C188 E189 A195 F196C188-V192 WeakPolarHBondContact O-CB 3.43Å; C188-V192 VanDerWaalsContact O-CG2 3.29Å; C188-V192 WeakPolarHBondContact O-CG2 3.28Å; C188-V192 PolarHBondContact O-N 3.24Å; E189-V192 PolarHBondContact O-N 3.5Å; V192-A195 PolarHBondContact O-N 3.19Å; V192-F196 HydrophobicContact CG1-CD2 4.18Å; V192-F196 PolarHBondContact O-N 3.37Å
193W83Confident77.9Confident136 Ų13650.2 Ų50.252%0.51527%0.273SS..Hα-helixtrans-60.8-49.4176.7-169.6-100000111.2E189 A195 F196 S197E189-W193 VanDerWaalsContact O-CB 3.27Å; E189-W193 WeakPolarHBondContact O-CB 3.47Å; E189-W193 PolarHBondContact O-N 3.17Å; W193-A195 PolarHBondContact O-N 3.44Å; W193-F196 PolarHBondContact O-N 3.03Å; W193-S197 VanDerWaalsContact O-CA 3.31Å; W193-S197 WeakPolarHBondContact O-CA 3.49Å; W193-S197 WeakPolarHBondContact O-CB 3.44Å; W193-S197 PolarHBondContact O-N 3.48Å; W193-S197 PolarHBondContact O-OG 3.37Å
194K76.3Confident76.4Confident49 Ų4953.3 Ų53.321%0.21331%0.307CS..Hα-helixtrans-66.3-23.9177.4-72.7-175.9177.6-177.30113.7T190 I191 A212 P240 I441T190-K194 HydrophobicContact CG2-CD 4.25Å; T190-K194 WeakPolarHBondContact O-CB 3.48Å; T190-K194 WeakPolarHBondContact O-CG 3.25Å; T190-K194 PolarHBondContact O-N 3.08Å; I191-K194 PolarHBondContact O-N 3.09Å; K194-A212 PolarHBondContact O-N 3.4Å; K194-P240 HydrophobicContact CB-CG 4.37Å; K194-I441 HydrophobicContact CB-CG2 3.51Å; K194-I441 HydrophobicContact CD-CG2 3.45Å; K194-I441 VanDerWaalsContact CD-CG2 3.45Å; K194-I441 HydrophobicContact CG-CG2 4.1Å
195A80.8Confident75Confident6 Ų663.1 Ų63.15%0.0534%0.343CS..Hα-helixtrans-79.9-39.7175.700000112.8I191 V192 W193 G211 A212 I213 L245I191-A195 WeakPolarHBondContact O-CB 3.26Å; I191-A195 PolarHBondContact O-N 2.9Å; V192-A195 PolarHBondContact O-N 3.19Å; W193-A195 PolarHBondContact O-N 3.44Å; A195-G211 CarbonylContact O-C 3.54Å; A195-A212 PolarHBondContact O-N 3.28Å; A195-I213 HydrophobicContact CB-CD1 4.31Å; A195-I213 PolarHBondContact O-N 3.16Å; A195-I213 VanDerWaalsContact O-N 3.08Å; A195-L245 HydrophobicContact CB-CD1 3.65Å
196F81.4Confident73.7Confident112 Ų11263.6 Ų63.649%0.49135%0.352SS..Hα-helixtrans-123.416-168.6-66.1-80.8000114.6V192 W193 P198 I213 I214V192-F196 HydrophobicContact CG1-CD2 4.18Å; V192-F196 PolarHBondContact O-N 3.37Å; W193-F196 PolarHBondContact O-N 3.03Å; F196-P198 WeakPolarHBondContact O-CD 3.42Å; F196-I213 HydrophobicContact CD1-CB 4.41Å; F196-I213 HydrophobicContact CD1-CD1 4.21Å; F196-I213 HydrophobicContact CD2-CD1 4.47Å; F196-I213 HydrophobicContact CE1-CB 4.28Å; F196-I213 HydrophobicContact CE1-CD1 3.58Å; F196-I213 HydrophobicContact CE1-CG2 4.11Å; F196-I213 HydrophobicContact CE2-CD1 3.88Å; F196-I213 HydrophobicContact CZ-CD1 3.39Å; F196-I214 WeakPolarHBondContact O-CD1 3.45Å
197S76.4Confident72.7Confident0 Ų067.1 Ų67.10%037%0.374CS..  trans-63.8126.1-178.3500000111.4W193 T199 E210 G211W193-S197 VanDerWaalsContact O-CA 3.31Å; W193-S197 WeakPolarHBondContact O-CA 3.49Å; W193-S197 WeakPolarHBondContact O-CB 3.44Å; W193-S197 PolarHBondContact O-N 3.48Å; W193-S197 PolarHBondContact O-OG 3.37Å; S197-T199 PolarHBondContact O-N 2.81Å; S197-E210 VanDerWaalsContact OG-C 3.31Å; S197-E210 WeakPolarHBondContact OG-CB 3.24Å; S197-G211 WeakPolarHBondContact O-CA 3.29Å; S197-G211 PolarHBondContact O-N 2.91Å; S197-G211 VanDerWaalsContact O-N 3.13Å; S197-G211 VanDerWaalsContact OG-CA 3.31Å; S197-G211 WeakPolarHBondContact OG-CA 3.32Å; S197-G211 PolarHBondContact OG-N 3.44Å
198P72.4Confident71.8Confident84 Ų8468.4 Ų68.455%0.54538%0.38SS..  trans-841.1179.934.2-35.4000112.9F196 I214F196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-I214 HydrophobicContact CB-CD1 4.43Å
199T73.9Confident70.9Confident54 Ų5468.3 Ų68.333%0.33137%0.374SS..  trans-67.6137179.941.50000110.6S197 F209 E210S197-T199 PolarHBondContact O-N 2.81Å; T199-F209 WeakPolarHBondContact O-CA 3.41Å; T199-E210 WeakPolarHBondContact O-CB 3.21Å; T199-E210 PolarHBondContact O-N 3.32Å; T199-E210 WeakPolarHBondContact OG1-CB 3.19Å; T199-E210 PolarHBondContact OG1-OE2 3.41Å
200T70.4Confident70.1Confident78 Ų7869 Ų6948%0.47938%0.377SS..EExtended strand (participates in β ladder)trans-105.1127175.755.90000110E208 F209T200-E208 CarbonylContact C-O 3.57Å; T200-E208 WeakPolarHBondContact CA-O 3.31Å; T200-F209 HydrophobicContact CG2-CD1 3.58Å; T200-F209 HydrophobicContact CG2-CE1 3.4Å; T200-F209 VanDerWaalsContact CG2-CE1 3.4Å; T200-F209 HydrophobicContact CG2-CE2 4.34Å; T200-F209 HydrophobicContact CG2-CG 4.16Å; T200-F209 HydrophobicContact CG2-CZ 3.82Å
201V65.4Low69.6Low54 Ų5466.7 Ų66.733%0.32736%0.363SS..EExtended strand (participates in β ladder)trans-105.1130.1171.2-177.40000107.8E208V201-E208 PolarHBondContact N-O 3.22Å; V201-E208 PolarHBondContact O-N 2.89Å
202N62Low69Low112 Ų11265 Ų6560%0.59936%0.356SS*.EExtended strand (participates in β ladder)trans-100.495.5178.9-166.2-7.5000109.6G204 G206N202-G204 PolarHBondContact O-N 3.37Å; N202-G204 PolarHBondContact OD1-N 3.18Å; N202-G206 PolarHBondContact OD1-O 3.26Å
203T58.7Low68.5Low60 Ų6062.8 Ų62.837%0.36834%0.341SS..  trans-88.427.7-179.4-42.70000112R205T203-R205 PolarHBondContact O-N 3.44Å
204G51.8Low68Low73 Ų7358.8 Ų58.875%0.75333%0.328SS*.SBendtrans76-3.517600000115.8N202N202-G204 PolarHBondContact O-N 3.37Å; N202-G204 PolarHBondContact OD1-N 3.18Å
205R56.2Low67.5Low212 Ų21256.8 Ų56.880%0.832%0.321SS*.SBendtrans-108.43.7171.9-74.8-175.1171.91681.4114T203T203-R205 PolarHBondContact O-N 3.44Å
206G58.4Low66.9Low33 Ų3358.1 Ų58.134%0.3433%0.327SS..SBendtrans135.4170.7-177.600000112N202 E208N202-G206 PolarHBondContact OD1-O 3.26Å; G206-E208 PolarHBondContact O-N 3.33Å
207T61Low66.5Low80 Ų8059.4 Ų59.449%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-73.5111.9171.350.80000109.1
208E64.4Low66.1Low30 Ų3062.4 Ų62.414%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-112.6133.1177-59.4-179.2110.300109.1T200 V201 G206 R236T200-E208 CarbonylContact C-O 3.57Å; T200-E208 WeakPolarHBondContact CA-O 3.31Å; V201-E208 PolarHBondContact N-O 3.22Å; V201-E208 PolarHBondContact O-N 2.89Å; G206-E208 PolarHBondContact O-N 3.33Å; E208-R236 IonicContact OE1-CZ 3.05Å; E208-R236 VanDerWaalsContact OE1-CZ 3.27Å; E208-R236 IonicContact OE1-NE 3.27Å; E208-R236 PolarHBondContact OE1-NE 3.26Å; E208-R236 VanDerWaalsContact OE1-NE 3.12Å; E208-R236 IonicContact OE1-NH2 2.68Å; E208-R236 PolarHBondContact OE1-NH2 2.99Å; E208-R236 IonicContact OE2-CZ 3.71Å; E208-R236 IonicContact OE2-NE 2.69Å; E208-R236 IonicContact OE2-NH2 2.57Å; E208-R236 PolarHBondContact OE2-NH2 3.41Å
209F66Low65.8Low45 Ų4559.4 Ų59.420%0.19733%0.326CS..EExtended strand (participates in β ladder)trans-70.4144.4176.4-69.5-86.1000110.4T199 T200 I214 A215 H218T199-F209 WeakPolarHBondContact O-CA 3.41Å; T200-F209 HydrophobicContact CG2-CD1 3.58Å; T200-F209 HydrophobicContact CG2-CE1 3.4Å; T200-F209 VanDerWaalsContact CG2-CE1 3.4Å; T200-F209 HydrophobicContact CG2-CE2 4.34Å; T200-F209 HydrophobicContact CG2-CG 4.16Å; T200-F209 HydrophobicContact CG2-CZ 3.82Å; F209-I214 HydrophobicContact CB-CB 4.46Å; F209-I214 HydrophobicContact CB-CG2 4.1Å; F209-I214 HydrophobicContact CD1-CG2 3.75Å; F209-I214 HydrophobicContact CD2-CG2 4.26Å; F209-I214 HydrophobicContact CE1-CG2 4.23Å; F209-I214 HydrophobicContact CG-CG2 3.76Å; F209-A215 HydrophobicContact CB-CB 4.01Å; F209-H218 HydrophobicContact CD2-CB 3.64Å; F209-H218 AromaticContact CD2-CD2 3.84Å; F209-H218 AromaticContact CD2-CG 3.66Å; F209-H218 HydrophobicContact CE2-CB 3.72Å; F209-H218 AromaticContact CE2-CD2 3.63Å; F209-H218 AromaticContact CE2-CE1 3.89Å; F209-H218 AromaticContact CE2-CG 3.34Å; F209-H218 AromaticContact CE2-ND1 3.53Å; F209-H218 AromaticContact CE2-NE2 3.98Å
210E66.6Low65.5Low56 Ų5660.2 Ų60.226%0.26233%0.328SS..SBendtrans-74.8-34.3176.5-171.8-177.5168.300111.6S197 T199 A212 L239S197-E210 VanDerWaalsContact OG-C 3.31Å; S197-E210 WeakPolarHBondContact OG-CB 3.24Å; T199-E210 WeakPolarHBondContact O-CB 3.21Å; T199-E210 PolarHBondContact O-N 3.32Å; T199-E210 WeakPolarHBondContact OG1-CB 3.19Å; T199-E210 PolarHBondContact OG1-OE2 3.41Å; E210-A212 PolarHBondContact O-N 2.98Å; E210-L239 HydrophobicContact CB-CD2 4.23Å; E210-L239 HydrophobicContact CG-CD2 3.99Å
211G69.3Low65.4Low0 Ų060.6 Ų60.60%034%0.339CS..SBendtrans-72.4124.4-17900000112.2A195 S197 I213 I214 A215A195-G211 CarbonylContact O-C 3.54Å; S197-G211 WeakPolarHBondContact O-CA 3.29Å; S197-G211 PolarHBondContact O-N 2.91Å; S197-G211 VanDerWaalsContact O-N 3.13Å; S197-G211 VanDerWaalsContact OG-CA 3.31Å; S197-G211 WeakPolarHBondContact OG-CA 3.32Å; S197-G211 PolarHBondContact OG-N 3.44Å; G211-I213 PolarHBondContact O-N 2.96Å; G211-I214 PolarHBondContact O-N 3.05Å; G211-A215 WeakPolarHBondContact O-CB 3.47Å; G211-A215 PolarHBondContact O-N 3.2Å
212A69.1Low65.6Low6 Ų662.2 Ų62.25%0.0535%0.349CS..Hα-helixtrans-53.6-39.5-177.700000113.4K194 A195 E210 L216 P240 L245K194-A212 PolarHBondContact O-N 3.4Å; A195-A212 PolarHBondContact O-N 3.28Å; E210-A212 PolarHBondContact O-N 2.98Å; A212-L216 PolarHBondContact O-N 3.2Å; A212-P240 HydrophobicContact CB-CB 4.46Å; A212-P240 WeakPolarHBondContact CB-O 3.28Å; A212-L245 HydrophobicContact CB-CD1 4.47Å
213I75.1Confident65.6Low39 Ų3963.4 Ų63.420%0.235%0.345CS..Hα-helixtrans-81-43.6-177.4-63.4169.4000110.9A195 F196 G211 A215 L216 F217 L245A195-I213 HydrophobicContact CB-CD1 4.31Å; A195-I213 PolarHBondContact O-N 3.16Å; A195-I213 VanDerWaalsContact O-N 3.08Å; F196-I213 HydrophobicContact CD1-CB 4.41Å; F196-I213 HydrophobicContact CD1-CD1 4.21Å; F196-I213 HydrophobicContact CD2-CD1 4.47Å; F196-I213 HydrophobicContact CE1-CB 4.28Å; F196-I213 HydrophobicContact CE1-CD1 3.58Å; F196-I213 HydrophobicContact CE1-CG2 4.11Å; F196-I213 HydrophobicContact CE2-CD1 3.88Å; F196-I213 HydrophobicContact CZ-CD1 3.39Å; G211-I213 PolarHBondContact O-N 2.96Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.37Å; I213-L216 WeakPolarHBondContact O-CB 3.46Å; I213-L216 PolarHBondContact O-N 3.22Å; I213-F217 HydrophobicContact CG2-CD2 3.87Å; I213-F217 HydrophobicContact CG2-CE2 3.77Å; I213-F217 VanDerWaalsContact O-CD2 3.29Å; I213-F217 WeakPolarHBondContact O-CD2 3.21Å; I213-F217 PolarHBondContact O-N 3.28Å; I213-F217 VanDerWaalsContact O-N 3.09Å; I213-L245 HydrophobicContact CD1-CD1 3.92Å; I213-L245 HydrophobicContact CG1-CD1 4.05Å
214I71.8Confident65.4Low51 Ų5167 Ų6726%0.26237%0.367SS..Hα-helixtrans-65.9-40.8180-60.5-178.3000110.2F196 P198 F209 G211 L216 F217 H218F196-I214 WeakPolarHBondContact O-CD1 3.45Å; P198-I214 HydrophobicContact CB-CD1 4.43Å; F209-I214 HydrophobicContact CB-CB 4.46Å; F209-I214 HydrophobicContact CB-CG2 4.1Å; F209-I214 HydrophobicContact CD1-CG2 3.75Å; F209-I214 HydrophobicContact CD2-CG2 4.26Å; F209-I214 HydrophobicContact CE1-CG2 4.23Å; F209-I214 HydrophobicContact CG-CG2 3.76Å; G211-I214 PolarHBondContact O-N 3.05Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.41Å; I214-F217 PolarHBondContact O-N 2.93Å; I214-H218 WeakPolarHBondContact O-CB 3.4Å; I214-H218 PolarHBondContact O-N 3.24Å
215A67.4Low65.8Low8 Ų868.1 Ų68.17%0.06636%0.356CS..Hα-helixtrans-60.9-40.8174.400000111.9F209 G211 I213 H218 L219F209-A215 HydrophobicContact CB-CB 4.01Å; G211-A215 WeakPolarHBondContact O-CB 3.47Å; G211-A215 PolarHBondContact O-N 3.2Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.37Å; A215-H218 PolarHBondContact O-N 3.25Å; A215-L219 HydrophobicContact CB-CD1 4.49Å; A215-L219 WeakPolarHBondContact O-CB 3.1Å; A215-L219 WeakPolarHBondContact O-CD1 3.25Å; A215-L219 VanDerWaalsContact O-CG 3.28Å; A215-L219 WeakPolarHBondContact O-CG 3.32Å; A215-L219 PolarHBondContact O-N 2.8Å
216L68.1Low66Low33 Ų3365 Ų6517%0.17335%0.348CS..Hα-helixtrans-60.8-50.4175.7-177.2153000111.4A212 I213 I214 H218 L220 L242A212-L216 PolarHBondContact O-N 3.2Å; I213-L216 WeakPolarHBondContact O-CB 3.46Å; I213-L216 PolarHBondContact O-N 3.22Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.41Å; L216-H218 VanDerWaalsContact C-N 3.34Å; L216-H218 PolarHBondContact O-N 2.8Å; L216-L220 HydrophobicContact CD2-CD2 4.43Å; L216-L220 WeakPolarHBondContact O-CB 3.34Å; L216-L220 PolarHBondContact O-N 3.21Å; L216-L242 HydrophobicContact CD1-CD1 3.75Å; L216-L242 HydrophobicContact CD1-CD2 3.55Å; L216-L242 HydrophobicContact CD1-CG 4.14Å
217F72.3Confident66.2Low140 Ų14069.4 Ų69.461%0.61437%0.369SS*.Hα-helixtrans-64.4-39.2179.7-81-72.4000112.1I213 I214 A221I213-F217 HydrophobicContact CG2-CD2 3.87Å; I213-F217 HydrophobicContact CG2-CE2 3.77Å; I213-F217 VanDerWaalsContact O-CD2 3.29Å; I213-F217 WeakPolarHBondContact O-CD2 3.21Å; I213-F217 PolarHBondContact O-N 3.28Å; I213-F217 VanDerWaalsContact O-N 3.09Å; I214-F217 PolarHBondContact O-N 2.93Å; F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 3.3Å; F217-A221 VanDerWaalsContact O-N 3.11Å
218H68.7Low66.2Low63 Ų6374.6 Ų74.629%0.29238%0.379SS..Hα-helixtrans-66.2-54.1176.6-172.872.8000111.6F209 I214 A215 L216 L220 A221 T222F209-H218 HydrophobicContact CD2-CB 3.64Å; F209-H218 AromaticContact CD2-CD2 3.84Å; F209-H218 AromaticContact CD2-CG 3.66Å; F209-H218 HydrophobicContact CE2-CB 3.72Å; F209-H218 AromaticContact CE2-CD2 3.63Å; F209-H218 AromaticContact CE2-CE1 3.89Å; F209-H218 AromaticContact CE2-CG 3.34Å; F209-H218 AromaticContact CE2-ND1 3.53Å; F209-H218 AromaticContact CE2-NE2 3.98Å; I214-H218 WeakPolarHBondContact O-CB 3.4Å; I214-H218 PolarHBondContact O-N 3.24Å; A215-H218 PolarHBondContact O-N 3.25Å; L216-H218 VanDerWaalsContact C-N 3.34Å; L216-H218 PolarHBondContact O-N 2.8Å; H218-L220 VanDerWaalsContact C-N 3.28Å; H218-L220 PolarHBondContact O-N 3.49Å; H218-A221 PolarHBondContact O-N 2.95Å; H218-T222 PolarHBondContact O-N 3.5Å; H218-T222 PolarHBondContact O-OG1 3.45Å
219L64.8Low66Low20 Ų2073.5 Ų73.511%0.10538%0.375CS..Hα-helixtrans-60.6-35.9-179.2-75.1162.5000112.4A215 R223 A233A215-L219 HydrophobicContact CB-CD1 4.49Å; A215-L219 WeakPolarHBondContact O-CB 3.1Å; A215-L219 WeakPolarHBondContact O-CD1 3.25Å; A215-L219 VanDerWaalsContact O-CG 3.28Å; A215-L219 WeakPolarHBondContact O-CG 3.32Å; A215-L219 PolarHBondContact O-N 2.8Å; L219-R223 WeakPolarHBondContact O-CB 3.25Å; L219-R223 PolarHBondContact O-N 2.83Å; L219-A233 HydrophobicContact CD1-CB 3.97Å
220L67.4Low65.8Low72 Ų7275.4 Ų75.438%0.37739%0.387SS..Hα-helixtrans-73.3-27.2176.9-16964.7000112.7L216 H218L216-L220 HydrophobicContact CD2-CD2 4.43Å; L216-L220 WeakPolarHBondContact O-CB 3.34Å; L216-L220 PolarHBondContact O-N 3.21Å; H218-L220 VanDerWaalsContact C-N 3.28Å; H218-L220 PolarHBondContact O-N 3.49Å
221A70.1Confident65.5Low85 Ų8581.6 Ų81.670%0.70241%0.408SS*.Hα-helixtrans-87.7-36.6179.500000113.6F217 H218F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 3.3Å; F217-A221 VanDerWaalsContact O-N 3.11Å; H218-A221 PolarHBondContact O-N 2.95Å
222T68.6Low65.3Low89 Ų8985.2 Ų85.255%0.54642%0.424SS..Hα-helixtrans-91-21.7-176.6380000114.9H218H218-T222 PolarHBondContact O-N 3.5Å; H218-T222 PolarHBondContact O-OG1 3.45Å
223R61.1Low64.8Low137 Ų13785.6 Ų85.652%0.51743%0.428SS..  trans-98.1135.4179.6-73-87.4-170.9168.90.5112.3L219 A229L219-R223 WeakPolarHBondContact O-CB 3.25Å; L219-R223 PolarHBondContact O-N 2.83Å; R223-A229 HydrophobicContact CB-CB 3.97Å; R223-A229 HydrophobicContact CG-CB 4.42Å
224T55Low64.1Low134 Ų13486.4 Ų86.482%0.82243%0.43SS*.SBendtrans-72.5-30.3175.346.40000113.2K226T224-K226 PolarHBondContact O-N 3.21Å
225D60.6Low63.5Low98 Ų9891.2 Ų91.252%0.52445%0.446SS..  trans-8882.4178.8-71.3-34.7000112.5V227 R228 A229D225-V227 VanDerWaalsContact C-N 3.3Å; D225-V227 PolarHBondContact O-N 2.94Å; D225-R228 HydrophobicContact CB-CB 4.19Å; D225-R228 PolarHBondContact O-N 3.37Å; D225-A229 WeakPolarHBondContact O-CB 3.41Å; D225-A229 PolarHBondContact O-N 3.39Å
226K60.5Low63.2Low145 Ų14592.1 Ų92.163%0.6345%0.448SS*.Hα-helixtrans-55.3-37.6-175.4-64-178.9-179-179.60114.3T224 L230T224-K226 PolarHBondContact O-N 3.21Å; K226-L230 VanDerWaalsContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CB 3.26Å; K226-L230 PolarHBondContact O-N 3.18Å
227V63.3Low62.5Low127 Ų12799.6 Ų99.677%0.7748%0.482SS*.Hα-helixtrans-75.7-36.6-175.9-175.90000112.1D225 R231D225-V227 VanDerWaalsContact C-N 3.3Å; D225-V227 PolarHBondContact O-N 2.94Å; V227-R231 PolarHBondContact O-N 3.46Å; V227-R231 VanDerWaalsContact O-N 3.1Å
228R61.1Low61.6Low189 Ų18998.9 Ų98.971%0.71348%0.484SS*.Hα-helixtrans-76.3-40.9179.7-149.7172.1-173.1172.31.3110.6D225 L230 R231 E232D225-R228 HydrophobicContact CB-CB 4.19Å; D225-R228 PolarHBondContact O-N 3.37Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.09Å; R228-R231 PolarHBondContact O-N 3.05Å; R228-E232 VanDerWaalsContact O-CB 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.15Å; R228-E232 PolarHBondContact O-N 3.49Å
229A58.3Low61.2Low6 Ų697.1 Ų97.15%0.0548%0.477CS..Hα-helixtrans-61.9-39172.700000112.4R223 D225 A233R223-A229 HydrophobicContact CB-CB 3.97Å; R223-A229 HydrophobicContact CG-CB 4.42Å; D225-A229 WeakPolarHBondContact O-CB 3.41Å; D225-A229 PolarHBondContact O-N 3.39Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 2.79Å
230L62Low60.8Low85 Ų8597.6 Ų97.645%0.44548%0.481SS..Hα-helixtrans-67.4-45175.8-156.1119000111.2K226 R228 E232 A233 F234K226-L230 VanDerWaalsContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CB 3.26Å; K226-L230 PolarHBondContact O-N 3.18Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.09Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 3.17Å; L230-A233 PolarHBondContact O-N 3.36Å; L230-F234 HydrophobicContact CD1-CE2 4.48Å; L230-F234 HydrophobicContact CD2-CD2 3.91Å; L230-F234 HydrophobicContact CD2-CE2 3.74Å; L230-F234 HydrophobicContact CG-CD2 3.91Å; L230-F234 HydrophobicContact CG-CE2 3.83Å; L230-F234 WeakPolarHBondContact O-CB 3.5Å; L230-F234 VanDerWaalsContact O-CD2 3.23Å; L230-F234 WeakPolarHBondContact O-CD2 3.27Å; L230-F234 PolarHBondContact O-N 2.81Å
231R61.6Low60.8Low186 Ų18695 Ų9570%0.70247%0.467SS*.Hα-helixtrans-62.7-39.1176.6-167.7177.4-177.2-176-0112.4V227 R228 F234 Y235V227-R231 PolarHBondContact O-N 3.46Å; V227-R231 VanDerWaalsContact O-N 3.1Å; R228-R231 PolarHBondContact O-N 3.05Å; R231-F234 PolarHBondContact O-N 3.42Å; R231-Y235 HydrophobicContact CG-CD2 3.94Å; R231-Y235 HydrophobicContact CG-CE2 4.45Å; R231-Y235 WeakPolarHBondContact O-CB 3.44Å; R231-Y235 WeakPolarHBondContact O-CD2 3.5Å; R231-Y235 PolarHBondContact O-N 3.38Å
232E63.8Low60.8Low76 Ų7692.6 Ų92.636%0.35544%0.443SS..Hα-helixtrans-72.2-34.5179.1-164.2163.8-158.300112.3R228 L230R228-E232 VanDerWaalsContact O-CB 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.15Å; R228-E232 PolarHBondContact O-N 3.49Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 3.17Å
233A59.5Low61Low14 Ų1492.4 Ų92.412%0.11644%0.436CS..Hα-helixtrans-73.2-25.4172.500000113.8L219 A229 L230L219-A233 HydrophobicContact CD1-CB 3.97Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 2.79Å; L230-A233 PolarHBondContact O-N 3.36Å
234F60.1Low61.7Low56 Ų5687.8 Ų87.825%0.24642%0.422CS..Hα-helixtrans-87.1-31178.1-92.7-95.4000113.9L230 R231 L242L230-F234 HydrophobicContact CD1-CE2 4.48Å; L230-F234 HydrophobicContact CD2-CD2 3.91Å; L230-F234 HydrophobicContact CD2-CE2 3.74Å; L230-F234 HydrophobicContact CG-CD2 3.91Å; L230-F234 HydrophobicContact CG-CE2 3.83Å; L230-F234 WeakPolarHBondContact O-CB 3.5Å; L230-F234 VanDerWaalsContact O-CD2 3.23Å; L230-F234 WeakPolarHBondContact O-CD2 3.27Å; L230-F234 PolarHBondContact O-N 2.81Å; R231-F234 PolarHBondContact O-N 3.42Å; F234-L242 HydrophobicContact CD1-CB 4.38Å; F234-L242 HydrophobicContact CD1-CD2 4.42Å; F234-L242 HydrophobicContact CD2-CD2 4.47Å; F234-L242 HydrophobicContact CE1-CB 4.36Å; F234-L242 HydrophobicContact CE1-CD2 3.65Å; F234-L242 HydrophobicContact CE2-CD2 3.74Å; F234-L242 HydrophobicContact CZ-CD2 3.28Å; F234-L242 HydrophobicContact CZ-CG 4.49Å
235Y59.6Low62.9Low152 Ų15283.4 Ų83.460%0.59639%0.393SS*.SBendtrans-119.430.8-170.6-69.8-79000114.5R231 Q237R231-Y235 HydrophobicContact CG-CD2 3.94Å; R231-Y235 HydrophobicContact CG-CE2 4.45Å; R231-Y235 WeakPolarHBondContact O-CB 3.44Å; R231-Y235 WeakPolarHBondContact O-CD2 3.5Å; R231-Y235 PolarHBondContact O-N 3.38Å; Y235-Q237 PolarHBondContact O-N 3.46Å
236R61.3Low63.9Low28 Ų2883.5 Ų83.511%0.10639%0.394CS..  trans-74.5118-177.5-147.8156.2163.4-129.7-20.3111.1E208 N238 N241E208-R236 IonicContact OE1-CZ 3.05Å; E208-R236 VanDerWaalsContact OE1-CZ 3.27Å; E208-R236 IonicContact OE1-NE 3.27Å; E208-R236 PolarHBondContact OE1-NE 3.26Å; E208-R236 VanDerWaalsContact OE1-NE 3.12Å; E208-R236 IonicContact OE1-NH2 2.68Å; E208-R236 PolarHBondContact OE1-NH2 2.99Å; E208-R236 IonicContact OE2-CZ 3.71Å; E208-R236 IonicContact OE2-NE 2.69Å; E208-R236 IonicContact OE2-NH2 2.57Å; E208-R236 PolarHBondContact OE2-NH2 3.41Å; R236-N238 VanDerWaalsContact C-N 3.34Å; R236-N238 PolarHBondContact O-N 2.96Å; R236-N241 VanDerWaalsContact CA-OD1 3.29Å; R236-N241 WeakPolarHBondContact CA-OD1 3.43Å; R236-N241 WeakPolarHBondContact CB-OD1 3.3Å; R236-N241 PolarHBondContact N-ND2 3.19Å; R236-N241 PolarHBondContact N-OD1 3.4Å; R236-N241 VanDerWaalsContact O-CG 3.23Å; R236-N241 PolarHBondContact O-ND2 3.19Å; R236-N241 PolarHBondContact O-OD1 3.33Å; R236-N241 VanDerWaalsContact O-OD1 3.08Å
237Q53Low64.9Low190 Ų19077 Ų7789%0.88837%0.367SS*.SBendtrans-72.6-25.5-175.4-73.8180-25.200113.9Y235Y235-Q237 PolarHBondContact O-N 3.46Å
238N54.2Low65.8Low125 Ų12571.6 Ų71.667%0.66833%0.334SS*.SBendtrans-99.2-13-169.6-68.6-2.3000114.8R236R236-N238 VanDerWaalsContact C-N 3.34Å; R236-N238 PolarHBondContact O-N 2.96Å
239L58.5Low67Low25 Ų2567 Ų6713%0.13133%0.327CS..SBendtrans-135.8158.9-173.8-80.7125.4000112.4E210 N241E210-L239 HydrophobicContact CB-CD2 4.23Å; E210-L239 HydrophobicContact CG-CD2 3.99Å; L239-N241 PolarHBondContact O-N 3.25Å; L239-N241 VanDerWaalsContact O-N 3.08Å; L239-N241 PolarHBondContact O-OD1 3.04Å
240P58.3Low68.4Low30 Ų3072.3 Ų72.320%0.19535%0.349CS..  trans-53.7116.1179.1-23.933.4000111.6K194 A212 I441K194-P240 HydrophobicContact CB-CG 4.37Å; A212-P240 HydrophobicContact CB-CB 4.46Å; A212-P240 WeakPolarHBondContact CB-O 3.28Å; P240-I441 HydrophobicContact CB-CD1 4.35Å
241N66.4Low69.4Low17 Ų1768.3 Ų68.39%0.09133%0.328CS..  trans-87.9157.5179.9-72.9-34.5000112.6R236 L239 M243 N244 L245R236-N241 VanDerWaalsContact CA-OD1 3.29Å; R236-N241 WeakPolarHBondContact CA-OD1 3.43Å; R236-N241 WeakPolarHBondContact CB-OD1 3.3Å; R236-N241 PolarHBondContact N-ND2 3.19Å; R236-N241 PolarHBondContact N-OD1 3.4Å; R236-N241 VanDerWaalsContact O-CG 3.23Å; R236-N241 PolarHBondContact O-ND2 3.19Å; R236-N241 PolarHBondContact O-OD1 3.33Å; R236-N241 VanDerWaalsContact O-OD1 3.08Å; L239-N241 PolarHBondContact O-N 3.25Å; L239-N241 VanDerWaalsContact O-N 3.08Å; L239-N241 PolarHBondContact O-OD1 3.04Å; N241-M243 HydrophobicContact CB-CB 4.24Å; N241-M243 PolarHBondContact O-N 3.21Å; N241-N244 HydrophobicContact CB-CB 4.46Å; N241-N244 WeakPolarHBondContact O-CB 3.21Å; N241-N244 PolarHBondContact O-N 3.15Å; N241-N244 VanDerWaalsContact O-N 3.1Å; N241-L245 PolarHBondContact O-N 3.39Å; N241-L245 VanDerWaalsContact O-N 3.12Å
242L70.4Confident70.6Confident36 Ų3663.5 Ų63.519%0.18831%0.312CS..Hα-helixtrans-60-32165.7-155.483.5000111.9L216 F234 N244 L245 L246L216-L242 HydrophobicContact CD1-CD1 3.75Å; L216-L242 HydrophobicContact CD1-CD2 3.55Å; L216-L242 HydrophobicContact CD1-CG 4.14Å; F234-L242 HydrophobicContact CD1-CB 4.38Å; F234-L242 HydrophobicContact CD1-CD2 4.42Å; F234-L242 HydrophobicContact CD2-CD2 4.47Å; F234-L242 HydrophobicContact CE1-CB 4.36Å; F234-L242 HydrophobicContact CE1-CD2 3.65Å; F234-L242 HydrophobicContact CE2-CD2 3.74Å; F234-L242 HydrophobicContact CZ-CD2 3.28Å; F234-L242 HydrophobicContact CZ-CG 4.49Å; L242-N244 VanDerWaalsContact C-N 3.33Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 PolarHBondContact O-N 3.4Å
243M73.4Confident71.7Confident84 Ų8461.8 Ų61.841%0.41432%0.315SS..Hα-helixtrans-62-41.6174.3-171.360.7132.300111.7N241 L245 L246 A247N241-M243 HydrophobicContact CB-CB 4.24Å; N241-M243 PolarHBondContact O-N 3.21Å; M243-L245 VanDerWaalsContact C-N 3.33Å; M243-L245 PolarHBondContact O-N 3Å; M243-L246 PolarHBondContact O-N 3Å; M243-A247 VanDerWaalsContact O-CB 3.28Å; M243-A247 WeakPolarHBondContact O-CB 3.44Å; M243-A247 PolarHBondContact O-N 3.38Å
244N75.3Confident73Confident41 Ų4162.6 Ų62.622%0.21932%0.319CS..Hα-helixtrans-68-36.6178.5-62.716.3000110.8N241 L242 T248 G439 I441N241-N244 HydrophobicContact CB-CB 4.46Å; N241-N244 WeakPolarHBondContact O-CB 3.21Å; N241-N244 PolarHBondContact O-N 3.15Å; N241-N244 VanDerWaalsContact O-N 3.1Å; L242-N244 VanDerWaalsContact C-N 3.33Å; N244-T248 PolarHBondContact O-N 3.03Å; N244-T248 PolarHBondContact O-OG1 3.46Å; N244-T248 VanDerWaalsContact O-OG1 3.04Å; N244-G439 WeakPolarHBondContact CB-O 3.46Å; N244-G439 PolarHBondContact ND2-O 3.15Å; N244-I441 HydrophobicContact CB-CD1 4.13Å; N244-I441 HydrophobicContact CB-CG1 3.64Å
245L80.1Confident74.2Confident41 Ų4160 Ų6022%0.21531%0.307CS..Hα-helixtrans-66.8-43.9174.8-169.2149.7000111.5A195 A212 I213 N241 L242 M243 T248 V249 I441A195-L245 HydrophobicContact CB-CD1 3.65Å; A212-L245 HydrophobicContact CB-CD1 4.47Å; I213-L245 HydrophobicContact CD1-CD1 3.92Å; I213-L245 HydrophobicContact CG1-CD1 4.05Å; N241-L245 PolarHBondContact O-N 3.39Å; N241-L245 VanDerWaalsContact O-N 3.12Å; L242-L245 PolarHBondContact O-N 3.04Å; M243-L245 VanDerWaalsContact C-N 3.33Å; M243-L245 PolarHBondContact O-N 3Å; L245-T248 WeakPolarHBondContact O-CB 3.48Å; L245-T248 PolarHBondContact O-N 3.23Å; L245-V249 HydrophobicContact CD2-CG2 4.36Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.87Å; L245-I441 HydrophobicContact CB-CD1 3.86Å
246L81.9Confident75.4Confident101 Ų10156 Ų5653%0.52930%0.295SS..Hα-helixtrans-65-41.2176.4-161.5157.6000111L242 M243 T248 V249 F250L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 PolarHBondContact O-N 3.4Å; M243-L246 PolarHBondContact O-N 3Å; L246-T248 VanDerWaalsContact C-N 3.34Å; L246-T248 PolarHBondContact O-N 3.42Å; L246-V249 PolarHBondContact O-N 2.9Å; L246-F250 WeakPolarHBondContact O-CB 3.4Å; L246-F250 PolarHBondContact O-N 3.5Å
247A80.8Confident76.6Confident9 Ų962.1 Ų62.17%0.07432%0.32CS..Hα-helixtrans-57.8-44.4171.200000111.9M243 V249 F250 V251 L438M243-A247 VanDerWaalsContact O-CB 3.28Å; M243-A247 WeakPolarHBondContact O-CB 3.44Å; M243-A247 PolarHBondContact O-N 3.38Å; A247-V249 PolarHBondContact O-N 3.39Å; A247-F250 PolarHBondContact O-N 3.33Å; A247-V251 WeakPolarHBondContact O-CB 3.41Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.41Å; A247-V251 PolarHBondContact O-N 2.98Å; A247-L438 HydrophobicContact CB-CB 3.93Å
248T83.3Confident78Confident12 Ų1256.1 Ų56.17%0.07429%0.291CS..Hα-helixtrans-59-45.3174.5-64.40000111.8N244 L245 L246 F250 V251 F252 I441 I447N244-T248 PolarHBondContact O-N 3.03Å; N244-T248 PolarHBondContact O-OG1 3.46Å; N244-T248 VanDerWaalsContact O-OG1 3.04Å; L245-T248 WeakPolarHBondContact O-CB 3.48Å; L245-T248 PolarHBondContact O-N 3.23Å; L246-T248 VanDerWaalsContact C-N 3.34Å; L246-T248 PolarHBondContact O-N 3.42Å; T248-F250 PolarHBondContact O-N 2.83Å; T248-V251 PolarHBondContact O-N 3.38Å; T248-F252 VanDerWaalsContact O-CB 3.25Å; T248-F252 WeakPolarHBondContact O-CB 3.4Å; T248-F252 PolarHBondContact O-N 2.77Å; T248-I441 PolarHBondContact OG1-N 3.38Å; T248-I447 HydrophobicContact CG2-CD1 3.99Å; T248-I447 HydrophobicContact CG2-CG1 4.45Å
249V85.7Confident79.3Confident92 Ų9250.6 Ų50.656%0.55826%0.261SS*.Hα-helixtrans-64.3-40.4177.41740000111.5L245 L246 A247 F252 G253L245-V249 HydrophobicContact CD2-CG2 4.36Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.87Å; L246-V249 PolarHBondContact O-N 2.9Å; A247-V249 PolarHBondContact O-N 3.39Å; V249-F252 WeakPolarHBondContact O-CB 3.4Å; V249-F252 PolarHBondContact O-N 3.45Å; V249-G253 PolarHBondContact O-N 3.27Å
250F86.3Confident80.3Confident118 Ų11851.3 Ų51.352%0.51827%0.274SS..Hα-helixtrans-62.7-50176.4177.2-101.4000111.6L246 A247 T248 F252 G253 V254 L438L246-F250 WeakPolarHBondContact O-CB 3.4Å; L246-F250 PolarHBondContact O-N 3.5Å; A247-F250 PolarHBondContact O-N 3.33Å; T248-F250 PolarHBondContact O-N 2.83Å; F250-F252 VanDerWaalsContact C-N 3.3Å; F250-F252 PolarHBondContact O-N 3.19Å; F250-G253 PolarHBondContact O-N 3.34Å; F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CE1-CG2 4Å; F250-V254 HydrophobicContact CE2-CG2 4.22Å; F250-V254 HydrophobicContact CZ-CG2 3.91Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 2.99Å; F250-L438 HydrophobicContact CD1-CD1 4.32Å
251V85Confident81.5Confident1 Ų154.3 Ų54.31%0.00628%0.284CS..Hα-helixtrans-58.2-44.2175.6170.60000110.5A247 T248 G253 V254 V255 A435 L438 I447A247-V251 WeakPolarHBondContact O-CB 3.41Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.41Å; A247-V251 PolarHBondContact O-N 2.98Å; T248-V251 PolarHBondContact O-N 3.38Å; V251-G253 PolarHBondContact O-N 2.98Å; V251-V254 PolarHBondContact O-N 2.99Å; V251-V255 HydrophobicContact CG1-CG2 4.14Å; V251-V255 VanDerWaalsContact O-CG2 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.49Å; V251-V255 PolarHBondContact O-N 3.5Å; V251-A435 HydrophobicContact CB-CB 4.49Å; V251-A435 HydrophobicContact CG1-CB 3.79Å; V251-A435 HydrophobicContact CG2-CB 3.95Å; V251-L438 HydrophobicContact CG2-CD1 4.01Å; V251-I447 HydrophobicContact CG1-CG2 4.48Å
252F85.5Confident82.3Confident85 Ų8561 Ų6137%0.37331%0.308SS..Hα-helixtrans-56.5-47.2177.5-173.4-86.8000112T248 V249 F250 V255 I256 V451T248-F252 VanDerWaalsContact O-CB 3.25Å; T248-F252 WeakPolarHBondContact O-CB 3.4Å; T248-F252 PolarHBondContact O-N 2.77Å; V249-F252 WeakPolarHBondContact O-CB 3.4Å; V249-F252 PolarHBondContact O-N 3.45Å; F250-F252 VanDerWaalsContact C-N 3.3Å; F250-F252 PolarHBondContact O-N 3.19Å; F252-V255 PolarHBondContact O-N 3.48Å; F252-I256 HydrophobicContact CD1-CD1 3.6Å; F252-I256 HydrophobicContact CD1-CG1 4.5Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.34Å; F252-I256 HydrophobicContact CZ-CD1 3.86Å; F252-I256 WeakPolarHBondContact O-CG1 3.46Å; F252-I256 PolarHBondContact O-N 3.1Å; F252-I256 VanDerWaalsContact O-N 3.11Å; F252-V451 HydrophobicContact CD2-CB 4.44Å; F252-V451 HydrophobicContact CD2-CG2 3.17Å; F252-V451 HydrophobicContact CE2-CB 4.42Å; F252-V451 HydrophobicContact CE2-CG1 4.46Å; F252-V451 HydrophobicContact CE2-CG2 3.45Å; F252-V451 VanDerWaalsContact CE2-CG2 3.45Å; F252-V451 HydrophobicContact CG-CG2 4.02Å; F252-V451 HydrophobicContact CZ-CG2 4.47Å
253G86.1Confident82.9Confident40 Ų4062.6 Ų62.641%0.41232%0.32SS..Hα-helixtrans-63.2-42.5176.700000113.1V249 F250 V251 I256 Y257V249-G253 PolarHBondContact O-N 3.27Å; F250-G253 PolarHBondContact O-N 3.34Å; V251-G253 PolarHBondContact O-N 2.98Å; G253-I256 PolarHBondContact O-N 3.38Å; G253-Y257 PolarHBondContact O-N 3.27Å; G253-Y257 VanDerWaalsContact O-N 3.08Å
254V87.3Confident83.4Confident32 Ų3261.8 Ų61.819%0.19432%0.317CS..Hα-helixtrans-63.8-44.5177.7173.90000111.2F250 V251 I256 Y257 F258 L431 M434F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CE1-CG2 4Å; F250-V254 HydrophobicContact CE2-CG2 4.22Å; F250-V254 HydrophobicContact CZ-CG2 3.91Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 2.99Å; V251-V254 PolarHBondContact O-N 2.99Å; V254-I256 PolarHBondContact O-N 3.25Å; V254-Y257 WeakPolarHBondContact O-CB 3.25Å; V254-Y257 PolarHBondContact O-N 3.21Å; V254-F258 HydrophobicContact CG1-CD2 3.61Å; V254-F258 HydrophobicContact CG1-CE2 3.53Å; V254-F258 VanDerWaalsContact O-CD2 3.25Å; V254-F258 WeakPolarHBondContact O-CD2 3.38Å; V254-F258 PolarHBondContact O-N 3.02Å; V254-L431 HydrophobicContact CG1-CD2 3.7Å; V254-M434 HydrophobicContact CG1-CE 4.33Å
255V84.8Confident83.7Confident0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-62.3-44.6179174.70000111V251 F252 Y257 F258 Q259 L431 L448 V451V251-V255 HydrophobicContact CG1-CG2 4.14Å; V251-V255 VanDerWaalsContact O-CG2 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.49Å; V251-V255 PolarHBondContact O-N 3.5Å; F252-V255 PolarHBondContact O-N 3.48Å; V255-Y257 VanDerWaalsContact C-N 3.29Å; V255-Y257 PolarHBondContact O-N 3.03Å; V255-F258 PolarHBondContact O-N 3.33Å; V255-Q259 WeakPolarHBondContact O-CB 3.32Å; V255-Q259 PolarHBondContact O-N 3.48Å; V255-L431 HydrophobicContact CG2-CD1 4.28Å; V255-L448 HydrophobicContact CG1-CG 4.36Å; V255-L448 HydrophobicContact CG2-CG 4.26Å; V255-V451 HydrophobicContact CB-CG1 4.06Å; V255-V451 HydrophobicContact CG1-CB 3.91Å; V255-V451 HydrophobicContact CG1-CG1 3.56Å
256I85.4Confident83.7Confident68 Ų6861.5 Ų61.535%0.34932%0.319SS..Hα-helixtrans-59-42.4175.9-70.1173.5000111.3F252 G253 V254 Q259 G260 V451F252-I256 HydrophobicContact CD1-CD1 3.6Å; F252-I256 HydrophobicContact CD1-CG1 4.5Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.34Å; F252-I256 HydrophobicContact CZ-CD1 3.86Å; F252-I256 WeakPolarHBondContact O-CG1 3.46Å; F252-I256 PolarHBondContact O-N 3.1Å; F252-I256 VanDerWaalsContact O-N 3.11Å; G253-I256 PolarHBondContact O-N 3.38Å; V254-I256 PolarHBondContact O-N 3.25Å; I256-Q259 WeakPolarHBondContact O-CB 3.37Å; I256-Q259 PolarHBondContact O-N 3.35Å; I256-G260 PolarHBondContact O-N 3.41Å; I256-V451 HydrophobicContact CG1-CG1 3.73Å
257Y86.2Confident83.7Confident158 Ų15857.2 Ų57.262%0.6230%0.297SS*.Hα-helixtrans-61.1-46.3177.5-179.8-104.1000111.7G253 V254 V255 Q259 G260 F261G253-Y257 PolarHBondContact O-N 3.27Å; G253-Y257 VanDerWaalsContact O-N 3.08Å; V254-Y257 WeakPolarHBondContact O-CB 3.25Å; V254-Y257 PolarHBondContact O-N 3.21Å; V255-Y257 VanDerWaalsContact C-N 3.29Å; V255-Y257 PolarHBondContact O-N 3.03Å; Y257-Q259 VanDerWaalsContact C-N 3.3Å; Y257-Q259 PolarHBondContact O-N 2.97Å; Y257-G260 PolarHBondContact O-N 3.42Å; Y257-F261 AromaticContact CD1-CE2 3.85Å; Y257-F261 HydrophobicContact CD1-CE2 3.85Å; Y257-F261 HydrophobicContact CD1-CZ 4.48Å; Y257-F261 AromaticContact CE1-CE2 3.53Å; Y257-F261 HydrophobicContact CE1-CE2 3.53Å; Y257-F261 AromaticContact CE1-CZ 3.72Å; Y257-F261 HydrophobicContact CE1-CZ 3.72Å; Y257-F261 AromaticContact CZ-CE2 3.98Å; Y257-F261 AromaticContact CZ-CZ 3.93Å; Y257-F261 VanDerWaalsContact O-CD2 3.32Å; Y257-F261 WeakPolarHBondContact O-CD2 3.23Å; Y257-F261 WeakPolarHBondContact O-CE2 3.24Å
258F83.9Confident83.6Confident64 Ų6461.6 Ų61.628%0.28131%0.314SS..Hα-helixtrans-65.7-32176.2-81.3-71.7000113.3V254 V255 G260 F261 L283 F284 L431V254-F258 HydrophobicContact CG1-CD2 3.61Å; V254-F258 HydrophobicContact CG1-CE2 3.53Å; V254-F258 VanDerWaalsContact O-CD2 3.25Å; V254-F258 WeakPolarHBondContact O-CD2 3.38Å; V254-F258 PolarHBondContact O-N 3.02Å; V255-F258 PolarHBondContact O-N 3.33Å; F258-G260 PolarHBondContact O-N 3.06Å; F258-F261 HydrophobicContact CD1-CD2 4.33Å; F258-F261 HydrophobicContact CD1-CE2 4.22Å; F258-F261 WeakPolarHBondContact O-CD2 3.41Å; F258-F261 PolarHBondContact O-N 3.49Å; F258-L283 HydrophobicContact CD1-CD2 4.43Å; F258-F284 HydrophobicContact CB-CE2 4.05Å; F258-F284 HydrophobicContact CB-CZ 3.85Å; F258-L431 HydrophobicContact CB-CD1 4.38Å; F258-L431 HydrophobicContact CD2-CD1 4.06Å; F258-L431 HydrophobicContact CD2-CD2 4.16Å; F258-L431 HydrophobicContact CE2-CD2 4.25Å; F258-L431 HydrophobicContact CG-CD1 4.36Å
259Q79.7Confident83.2Confident9 Ų961.9 Ų61.94%0.04232%0.317CS..Hα-helixtrans-65.6-26.9177.5-160.773.525.400112.6V255 I256 Y257 F261 F284 T452 Y455V255-Q259 WeakPolarHBondContact O-CB 3.32Å; V255-Q259 PolarHBondContact O-N 3.48Å; I256-Q259 WeakPolarHBondContact O-CB 3.37Å; I256-Q259 PolarHBondContact O-N 3.35Å; Y257-Q259 VanDerWaalsContact C-N 3.3Å; Y257-Q259 PolarHBondContact O-N 2.97Å; Q259-F261 VanDerWaalsContact C-N 3.27Å; Q259-F261 PolarHBondContact O-N 3.49Å; Q259-F284 HydrophobicContact CB-CD2 4.46Å; Q259-F284 HydrophobicContact CB-CE2 4.27Å; Q259-F284 VanDerWaalsContact CD-CD2 3.46Å; Q259-F284 HydrophobicContact CG-CD2 4.44Å; Q259-T452 PolarHBondContact OE1-OG1 3.37Å; Q259-Y455 HydrophobicContact CB-CD1 4.31Å; Q259-Y455 HydrophobicContact CB-CD2 4.38Å; Q259-Y455 HydrophobicContact CB-CE1 4.36Å; Q259-Y455 HydrophobicContact CB-CE2 4.42Å; Q259-Y455 HydrophobicContact CB-CG 4.31Å; Q259-Y455 HydrophobicContact CG-CD1 3.21Å; Q259-Y455 HydrophobicContact CG-CD2 4.01Å; Q259-Y455 HydrophobicContact CG-CE1 3.51Å; Q259-Y455 HydrophobicContact CG-CE2 4.26Å; Q259-Y455 HydrophobicContact CG-CG 3.47Å; Q259-Y455 VanDerWaalsContact CG-CG 3.47Å
260G79.8Confident82.5Confident40 Ų4060.2 Ų60.241%0.41231%0.313SS..THydrogen-bonded Turntrans-71.5-14.517700000114.8I256 Y257 F258 R262I256-G260 PolarHBondContact O-N 3.41Å; Y257-G260 PolarHBondContact O-N 3.42Å; F258-G260 PolarHBondContact O-N 3.06Å; G260-R262 PolarHBondContact O-N 3.31Å
261F84.6Confident81.8Confident92 Ų9264 Ų6440%0.40432%0.324SS..  trans-72.2115.7-179.4-75.5-96.2000111.3Y257 F258 Q259 L283Y257-F261 AromaticContact CD1-CE2 3.85Å; Y257-F261 HydrophobicContact CD1-CE2 3.85Å; Y257-F261 HydrophobicContact CD1-CZ 4.48Å; Y257-F261 AromaticContact CE1-CE2 3.53Å; Y257-F261 HydrophobicContact CE1-CE2 3.53Å; Y257-F261 AromaticContact CE1-CZ 3.72Å; Y257-F261 HydrophobicContact CE1-CZ 3.72Å; Y257-F261 AromaticContact CZ-CE2 3.98Å; Y257-F261 AromaticContact CZ-CZ 3.93Å; Y257-F261 VanDerWaalsContact O-CD2 3.32Å; Y257-F261 WeakPolarHBondContact O-CD2 3.23Å; Y257-F261 WeakPolarHBondContact O-CE2 3.24Å; F258-F261 HydrophobicContact CD1-CD2 4.33Å; F258-F261 HydrophobicContact CD1-CE2 4.22Å; F258-F261 WeakPolarHBondContact O-CD2 3.41Å; F258-F261 PolarHBondContact O-N 3.49Å; Q259-F261 VanDerWaalsContact C-N 3.27Å; Q259-F261 PolarHBondContact O-N 3.49Å; F261-L283 HydrophobicContact CB-CB 3.97Å; F261-L283 HydrophobicContact CB-CD2 4.11Å; F261-L283 PolarHBondContact O-N 2.93Å
262R83Confident81.2Confident157 Ų15770.6 Ų70.659%0.59235%0.349SS*.EExtended strand (participates in β ladder)trans-135.3146.3174.267.9-177.4-169.4-151-5.6111.3G260 D264 P280 I281 K282G260-R262 PolarHBondContact O-N 3.31Å; R262-D264 IonicContact CZ-OD2 3.89Å; R262-D264 IonicContact NE-OD1 3.52Å; R262-D264 IonicContact NE-OD2 3.11Å; R262-D264 PolarHBondContact NE-OD2 3.3Å; R262-D264 VanDerWaalsContact NE-OD2 3.11Å; R262-D264 IonicContact NH2-OD2 3.9Å; R262-P280 HydrophobicContact CB-CB 4.47Å; R262-I281 WeakPolarHBondContact CA-O 3.45Å; R262-K282 HydrophobicContact CB-CG 4.45Å
263V83.1Confident80.4Confident71 Ų7178.9 Ų78.943%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-105.4108172.4179.50000107.3I281 Y416V263-I281 PolarHBondContact N-O 2.91Å; V263-I281 PolarHBondContact O-N 3.31Å; V263-Y416 HydrophobicContact CG1-CD1 4.39Å; V263-Y416 HydrophobicContact CG1-CE1 4.4Å
264D83Confident79.6Confident66 Ų6679.7 Ų79.735%0.35339%0.386SS..EExtended strand (participates in β ladder)trans-86.3113.9-178.5-71.2-39.1000110.3R262 T278 P280R262-D264 IonicContact CZ-OD2 3.89Å; R262-D264 IonicContact NE-OD1 3.52Å; R262-D264 IonicContact NE-OD2 3.11Å; R262-D264 PolarHBondContact NE-OD2 3.3Å; R262-D264 VanDerWaalsContact NE-OD2 3.11Å; R262-D264 IonicContact NH2-OD2 3.9Å; D264-T278 HydrophobicContact CB-CG2 4.43Å; D264-P280 WeakPolarHBondContact OD1-CA 3.33Å; D264-P280 VanDerWaalsContact OD1-CB 3.24Å; D264-P280 WeakPolarHBondContact OD1-CB 3.21Å
265L82.4Confident79Confident10 Ų1082.8 Ų82.85%0.05240%0.399CS..EExtended strand (participates in β ladder)trans-96.2124.1175.8-66.7172.6000110.2I267 Y279 I281 M401 L413 Y416L265-I267 PolarHBondContact O-N 3.17Å; L265-Y279 PolarHBondContact N-O 3.1Å; L265-Y279 PolarHBondContact O-N 3.04Å; L265-I281 HydrophobicContact CD1-CD1 3.37Å; L265-I281 HydrophobicContact CD1-CG1 4.01Å; L265-I281 HydrophobicContact CG-CD1 4.4Å; L265-M401 HydrophobicContact CB-CE 3.69Å; L265-M401 HydrophobicContact CD1-CE 3.6Å; L265-M401 HydrophobicContact CD2-CE 3.74Å; L265-M401 HydrophobicContact CG-CE 3.87Å; L265-L413 HydrophobicContact CD1-CD2 4.02Å; L265-Y416 HydrophobicContact CD1-CD2 4.33Å; L265-Y416 HydrophobicContact CD2-CD2 4.09Å; L265-Y416 HydrophobicContact CD2-CE2 3.91Å
266P79.8Confident78.3Confident67 Ų6791.4 Ų91.444%0.43543%0.432SS..EExtended strand (participates in β ladder)trans-75.4122.2-178.829.1-33.5000111.3
267I81.6Confident77.8Confident11 Ų1191.6 Ų91.66%0.05643%0.434CS..EExtended strand (participates in β ladder)trans-119.3140.4177.2-48-167000109.5L265 N277 Y279 L394 M399 V400L265-I267 PolarHBondContact O-N 3.17Å; I267-N277 CarbonylContact C-O 3.51Å; I267-N277 WeakPolarHBondContact CA-O 3.23Å; I267-N277 PolarHBondContact N-O 3.35Å; I267-N277 PolarHBondContact O-N 2.97Å; I267-Y279 HydrophobicContact CD1-CD2 4.4Å; I267-Y279 HydrophobicContact CD1-CG 3.93Å; I267-L394 HydrophobicContact CD1-CD1 3.94Å; I267-L394 HydrophobicContact CD1-CD2 3.89Å; I267-M399 HydrophobicContact CB-CE 4.31Å; I267-M399 HydrophobicContact CG2-CB 3.74Å; I267-M399 HydrophobicContact CG2-CE 3.86Å; I267-V400 WeakPolarHBondContact CG2-O 3.4Å
268K79.5Confident77.5Confident100 Ų10088.5 Ų88.544%0.43543%0.432SS..EExtended strand (participates in β ladder)trans-109.3144.8172.383.3-175.6-176.3179.80109.8V400K268-V400 HydrophobicContact CG-CB 4.46Å; K268-V400 WeakPolarHBondContact CG-O 3.34Å; K268-V400 PolarHBondContact N-O 3.06Å; K268-V400 PolarHBondContact O-N 3.39Å
269S74.6Confident77.4Confident18 Ų1888.9 Ų88.913%0.12643%0.432CS..EExtended strand (participates in β ladder)trans-70.8133.4163.6-173.50000109.4R271 Y272 Q275S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact OG-N 3.04Å; S269-Y272 PolarHBondContact OG-N 3.31Å; S269-Q275 PolarHBondContact N-O 3.45Å
270A70.5Confident77.4Confident58 Ų5891 Ų9148%0.47945%0.446SS..SBendtrans-73.9-25.5169.100000111.7Q398 V400A270-Q398 WeakPolarHBondContact CB-O 3.48Å; A270-Q398 PolarHBondContact N-O 3.27Å; A270-V400 HydrophobicContact CB-CG2 4.01Å
271R72.4Confident77.3Confident197 Ų19789.2 Ų89.274%0.74343%0.427SS*.SBendtrans-82.1-39.5-175.7-166.9174.4-174.9176.71113S269S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact OG-N 3.04Å
272Y72.3Confident77Confident140 Ų14087.6 Ų87.655%0.54942%0.42SS..SBendtrans-113.5112.2179.9-66.7-82.4000110.7S269 G274S269-Y272 PolarHBondContact OG-N 3.31Å; Y272-G274 PolarHBondContact O-N 2.88Å
273R67.4Low76.6Confident259 Ų25981.7 Ų81.798%0.97740%0.4SS*.THydrogen-bonded Turntrans-71.1123-179.3-162.4172.1-177.8168.4-0.6109.4
274G70.6Confident76.1Confident56 Ų5678.7 Ų78.758%0.57738%0.381SS*.THydrogen-bonded Turntrans98.3-4.3177.300000115.6Y272 Y276Y272-G274 PolarHBondContact O-N 2.88Å; G274-Y276 VanDerWaalsContact O-CD2 3.25Å; G274-Y276 WeakPolarHBondContact O-CD2 3.39Å; G274-Y276 WeakPolarHBondContact O-CE2 3.38Å; G274-Y276 PolarHBondContact O-N 3.08Å
275Q73.5Confident75Confident98 Ų9877.4 Ų77.446%0.45837%0.372SS..  trans-84.3108.3173.6-168.4161.1-0.800110.6S269S269-Q275 PolarHBondContact N-O 3.45Å
276Y70.6Confident74.1Confident181 Ų18177.4 Ų77.471%0.7137%0.372SS*.EExtended strand (participates in β ladder)trans-98.4119.3175.7-61-79.2000109.3G274G274-Y276 VanDerWaalsContact O-CD2 3.25Å; G274-Y276 WeakPolarHBondContact O-CD2 3.39Å; G274-Y276 WeakPolarHBondContact O-CE2 3.38Å; G274-Y276 PolarHBondContact O-N 3.08Å
277N75.9Confident73.5Confident71 Ų7176.1 Ų76.138%0.3837%0.365SS..EExtended strand (participates in β ladder)trans-120.4139.3171.7-69.3-15.7000108.4I267 M399I267-N277 CarbonylContact C-O 3.51Å; I267-N277 WeakPolarHBondContact CA-O 3.23Å; I267-N277 PolarHBondContact N-O 3.35Å; I267-N277 PolarHBondContact O-N 2.97Å; N277-M399 HydrophobicContact CB-CE 4.15Å
278T80Confident73Confident93 Ų9375.9 Ų75.957%0.57136%0.364SS*.EExtended strand (participates in β ladder)trans-92.1135.8170.348.20000109.1D264 P280D264-T278 HydrophobicContact CB-CG2 4.43Å; T278-P280 WeakPolarHBondContact O-CD 3.43Å
279Y80.1Confident72.5Confident73 Ų7374 Ų7429%0.28636%0.358SS..EExtended strand (participates in β ladder)trans-100.9104.3170.4-173.1-94.9000108.6L265 I267 I281 V390L265-Y279 PolarHBondContact N-O 3.1Å; L265-Y279 PolarHBondContact O-N 3.04Å; I267-Y279 HydrophobicContact CD1-CD2 4.4Å; I267-Y279 HydrophobicContact CD1-CG 3.93Å; Y279-I281 HydrophobicContact CD1-CG1 4Å; Y279-I281 HydrophobicContact CE1-CG1 4.04Å; Y279-I281 PolarHBondContact O-N 3.47Å; Y279-V390 HydrophobicContact CE1-CG1 4.45Å
280P79.9Confident72.2Confident53 Ų5373.3 Ų73.334%0.34435%0.352SS..EExtended strand (participates in β ladder)trans-75.3116.6-179.928.2-32.8000110.7R262 D264 T278R262-P280 HydrophobicContact CB-CB 4.47Å; D264-P280 WeakPolarHBondContact OD1-CA 3.33Å; D264-P280 VanDerWaalsContact OD1-CB 3.24Å; D264-P280 WeakPolarHBondContact OD1-CB 3.21Å; T278-P280 WeakPolarHBondContact O-CD 3.43Å
281I78.6Confident72.4Confident3 Ų370.7 Ų70.72%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-91.3107.2163.7-59.5-173.8000107.6R262 V263 L265 Y279 Y285 L413 I417 A420R262-I281 WeakPolarHBondContact CA-O 3.45Å; V263-I281 PolarHBondContact N-O 2.91Å; V263-I281 PolarHBondContact O-N 3.31Å; L265-I281 HydrophobicContact CD1-CD1 3.37Å; L265-I281 HydrophobicContact CD1-CG1 4.01Å; L265-I281 HydrophobicContact CG-CD1 4.4Å; Y279-I281 HydrophobicContact CD1-CG1 4Å; Y279-I281 HydrophobicContact CE1-CG1 4.04Å; Y279-I281 PolarHBondContact O-N 3.47Å; I281-Y285 HydrophobicContact CG2-CD2 3.77Å; I281-Y285 HydrophobicContact CG2-CE2 4.23Å; I281-L413 HydrophobicContact CD1-CD2 4.22Å; I281-I417 HydrophobicContact CD1-CG1 4Å; I281-A420 HydrophobicContact CG2-CB 4.18Å
282K78.6Confident72.6Confident58 Ų5863.1 Ų63.125%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-72.8149.9177-61.9177.4-169.3169.40110.8R262 F284 Y285 E459R262-K282 HydrophobicContact CB-CG 4.45Å; K282-F284 PolarHBondContact O-N 2.92Å; K282-Y285 PolarHBondContact O-N 3.03Å; K282-E459 WeakPolarHBondContact CE-OE1 3.22Å; K282-E459 WeakPolarHBondContact CE-OE2 3.48Å; K282-E459 IonicContact NZ-OE1 3.51Å; K282-E459 PolarHBondContact NZ-OE1 3.17Å; K282-E459 IonicContact NZ-OE2 2.58Å; K282-E459 PolarHBondContact NZ-OE2 3.2Å
283L75.2Confident72.7Confident32 Ų3258.2 Ų58.217%0.16829%0.287CS..SBendtrans-55.5-42.9172.8-167.470.9000111.1F258 F261 Y285 A420 F423 G424F258-L283 HydrophobicContact CD1-CD2 4.43Å; F261-L283 HydrophobicContact CB-CB 3.97Å; F261-L283 HydrophobicContact CB-CD2 4.11Å; F261-L283 PolarHBondContact O-N 2.93Å; L283-Y285 PolarHBondContact O-N 3.33Å; L283-Y285 VanDerWaalsContact O-N 3.08Å; L283-A420 VanDerWaalsContact O-O 3.1Å; L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.16Å; L283-F423 HydrophobicContact CG-CD1 4.49Å; L283-G424 WeakPolarHBondContact O-CA 3.21Å
284F71.9Confident73.3Confident8 Ų846.2 Ų46.24%0.03524%0.242CC..SBendtrans-86.663.1173.3-55.9-50.3000111.6F258 Q259 K282 T286 S287 C427 I428 L431F258-F284 HydrophobicContact CB-CE2 4.05Å; F258-F284 HydrophobicContact CB-CZ 3.85Å; Q259-F284 HydrophobicContact CB-CD2 4.46Å; Q259-F284 HydrophobicContact CB-CE2 4.27Å; Q259-F284 VanDerWaalsContact CD-CD2 3.46Å; Q259-F284 HydrophobicContact CG-CD2 4.44Å; K282-F284 PolarHBondContact O-N 2.92Å; F284-T286 PolarHBondContact O-N 2.98Å; F284-S287 PolarHBondContact O-N 2.86Å; F284-S287 VanDerWaalsContact O-N 3.16Å; F284-C427 HydrophobicContact CE1-CB 4.23Å; F284-I428 HydrophobicContact CB-CD1 4.48Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.45Å; F284-I428 VanDerWaalsContact CD1-CG1 3.45Å; F284-I428 HydrophobicContact CE1-CD1 3.97Å; F284-I428 HydrophobicContact CE1-CG1 3.35Å; F284-I428 HydrophobicContact CG-CD1 4.16Å; F284-I428 HydrophobicContact CG-CG1 4.41Å; F284-I428 HydrophobicContact CZ-CG1 4.18Å; F284-L431 HydrophobicContact CZ-CD1 4.34Å
285Y59.1Low73.5Confident40 Ų4044.2 Ų44.216%0.15722%0.22CC..THydrogen-bonded Turntrans-61.1-44.3-173.9-174.3-102.3000113.4I281 K282 L283 S287 I380 S385 V390 I417 A421I281-Y285 HydrophobicContact CG2-CD2 3.77Å; I281-Y285 HydrophobicContact CG2-CE2 4.23Å; K282-Y285 PolarHBondContact O-N 3.03Å; L283-Y285 PolarHBondContact O-N 3.33Å; L283-Y285 VanDerWaalsContact O-N 3.08Å; Y285-S287 PolarHBondContact O-N 2.94Å; Y285-I380 HydrophobicContact CD1-CG1 4.42Å; Y285-S385 WeakPolarHBondContact CE1-O 3.28Å; Y285-S385 PolarHBondContact OH-O 3.2Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.29Å; Y285-I417 HydrophobicContact CD1-CG2 4.07Å; Y285-I417 HydrophobicContact CE1-CG2 3.52Å; Y285-I417 HydrophobicContact CE2-CG1 4.24Å; Y285-A421 HydrophobicContact CD1-CB 4.4Å
286T63.7Low73.6Confident10 Ų1041.1 Ų41.16%0.06121%0.211CC..THydrogen-bonded Turntrans-83.55.9178.645.90000113.5F284 S376 I380 A421F284-T286 PolarHBondContact O-N 2.98Å; T286-S376 PolarHBondContact OG1-OG 2.89Å; T286-I380 HydrophobicContact CG2-CD1 4.26Å; T286-I380 HydrophobicContact CG2-CG1 3.39Å; T286-A421 HydrophobicContact CG2-CB 4.07Å
287S68.5Low73.8Confident40 Ų4036.1 Ų36.128%0.2820%0.196SC..THydrogen-bonded Turntrans56.6-149-177.5-59.20000112.4F284 Y285 Q456F284-S287 PolarHBondContact O-N 2.86Å; F284-S287 VanDerWaalsContact O-N 3.16Å; Y285-S287 PolarHBondContact O-N 2.94Å; S287-Q456 PolarHBondContact OG-NE2 3.45Å; S287-Q456 VanDerWaalsContact OG-NE2 3.15Å
288N69.4Low73.8Confident6 Ų633.5 Ų33.53%0.03218%0.182CC..THydrogen-bonded Turntrans-83.6-9.5-175.7-78.6-6.4000115.3I291 I292 L449 T452N288-I291 PolarHBondContact O-N 3.31Å; N288-I292 HydrophobicContact CB-CD1 4.27Å; N288-I292 WeakPolarHBondContact O-CG1 3.43Å; N288-I292 PolarHBondContact O-N 2.99Å; N288-L449 HydrophobicContact CB-CD2 3.61Å; N288-L449 PolarHBondContact ND2-O 2.91Å; N288-T452 VanDerWaalsContact CG-CG2 3.48Å; N288-T452 VanDerWaalsContact ND2-CB 3.3Å; N288-T452 WeakPolarHBondContact ND2-CB 3.24Å; N288-T452 WeakPolarHBondContact OD1-CB 3.47Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.15Å; N288-T452 PolarHBondContact OD1-OG1 2.68Å
289I70.6Confident73.4Confident60 Ų6029.3 Ų29.331%0.30816%0.157SC..Hα-helixtrans-61.7-39.7-168.8-58.5170.4000112.6I291 I292 L293 W379I289-I291 VanDerWaalsContact C-N 3.31Å; I289-I291 PolarHBondContact O-N 3.46Å; I289-I292 PolarHBondContact O-N 2.89Å; I289-I292 VanDerWaalsContact O-N 3.14Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 HydrophobicContact CG2-CG 4.07Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 3.45Å; I289-W379 HydrophobicContact CB-CD2 4.5Å; I289-W379 HydrophobicContact CB-CZ2 4.36Å; I289-W379 HydrophobicContact CD1-CZ2 3.66Å; I289-W379 HydrophobicContact CG2-CD2 3.84Å; I289-W379 HydrophobicContact CG2-CE3 4.11Å; I289-W379 HydrophobicContact CG2-CH2 3.86Å; I289-W379 HydrophobicContact CG2-CZ2 3.59Å; I289-W379 HydrophobicContact CG2-CZ3 4.11Å
290P68.2Low73.1Confident3 Ų329.6 Ų29.62%0.01916%0.164CC..Hα-helixtrans-59.4-37.5177.5-26.436.5000114Q294 F375P290-Q294 VanDerWaalsContact O-CB 3.31Å; P290-Q294 WeakPolarHBondContact O-CB 3.31Å; P290-Q294 PolarHBondContact O-N 3.47Å; P290-F375 HydrophobicContact CB-CB 4.15Å
291I73.5Confident72.7Confident3 Ų329.3 Ų29.32%0.01516%0.159CC..Hα-helixtrans-66.8-45.4175.6-51.5170.7000110N288 I289 L293 Q294 S295 I428 T445 L448 L449N288-I291 PolarHBondContact O-N 3.31Å; I289-I291 VanDerWaalsContact C-N 3.31Å; I289-I291 PolarHBondContact O-N 3.46Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.31Å; I291-Q294 PolarHBondContact O-N 3.16Å; I291-S295 WeakPolarHBondContact O-CB 3.25Å; I291-S295 PolarHBondContact O-N 2.77Å; I291-I428 HydrophobicContact CD1-CB 4.36Å; I291-I428 HydrophobicContact CD1-CD1 4.42Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.09Å; I291-T445 HydrophobicContact CG2-CG2 4.24Å; I291-L448 HydrophobicContact CD1-CD2 3.56Å; I291-L448 HydrophobicContact CD1-CG 4.49Å; I291-L449 HydrophobicContact CB-CD2 4.26Å; I291-L449 HydrophobicContact CD1-CD2 4.25Å; I291-L449 HydrophobicContact CG2-CD2 4.42Å
292I76.4Confident72.4Confident39 Ų3929.8 Ų29.820%0.216%0.161CC..Hα-helixtrans-59.3-45.4-179.3-62.9170.8000109.2I68 N288 I289 A296 L449I68-I292 HydrophobicContact CG2-CG2 4.37Å; N288-I292 HydrophobicContact CB-CD1 4.27Å; N288-I292 WeakPolarHBondContact O-CG1 3.43Å; N288-I292 PolarHBondContact O-N 2.99Å; I289-I292 PolarHBondContact O-N 2.89Å; I289-I292 VanDerWaalsContact O-N 3.14Å; I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 2.83Å; I292-L449 HydrophobicContact CD1-CD2 4.03Å; I292-L449 HydrophobicContact CG1-CD1 4.05Å; I292-L449 HydrophobicContact CG1-CD2 3.54Å; I292-L449 HydrophobicContact CG1-CG 4.47Å
293L75.6Confident71.8Confident36 Ų3627.9 Ų27.919%0.18815%0.154CC..Hα-helixtrans-64-46177.8-70.2175.3000112.6L89 I289 I291 A296 L297 W379L89-L293 HydrophobicContact CD1-CD2 3.54Å; L89-L293 HydrophobicContact CD2-CD2 4.41Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 HydrophobicContact CG2-CG 4.07Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 3.45Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.31Å; L293-A296 PolarHBondContact O-N 3.35Å; L293-L297 WeakPolarHBondContact O-CB 3.16Å; L293-L297 PolarHBondContact O-N 3.29Å; L293-W379 HydrophobicContact CD1-CD2 4.39Å; L293-W379 HydrophobicContact CD1-CE3 3.6Å; L293-W379 HydrophobicContact CD1-CZ3 3.84Å
294Q80.2Confident71.7Confident7 Ų730.8 Ų30.83%0.03317%0.168CC..Hα-helixtrans-63.1-46.5179.1-173.9-78-2200111P290 I291 A296 L297 V298 M368 S371 F375P290-Q294 VanDerWaalsContact O-CB 3.31Å; P290-Q294 WeakPolarHBondContact O-CB 3.31Å; P290-Q294 PolarHBondContact O-N 3.47Å; I291-Q294 PolarHBondContact O-N 3.16Å; Q294-A296 VanDerWaalsContact C-N 3.34Å; Q294-A296 PolarHBondContact O-N 3.08Å; Q294-L297 WeakPolarHBondContact O-CB 3.41Å; Q294-L297 PolarHBondContact O-N 3.28Å; Q294-V298 PolarHBondContact O-N 2.82Å; Q294-M368 HydrophobicContact CB-CE 4.37Å; Q294-M368 VanDerWaalsContact CD-SD 3.53Å; Q294-M368 HydrophobicContact CG-CE 3.45Å; Q294-M368 VanDerWaalsContact CG-CE 3.45Å; Q294-M368 VanDerWaalsContact NE2-CE 3.26Å; Q294-M368 PolarHBondContact NE2-SD 2.83Å; Q294-S371 WeakPolarHBondContact CG-OG 3.4Å; Q294-F375 HydrophobicContact CB-CD2 4.03Å; Q294-F375 HydrophobicContact CB-CE2 4.32Å; Q294-F375 HydrophobicContact CG-CD2 4.43Å; Q294-F375 HydrophobicContact CG-CE2 4.5Å
295S74.9Confident71.5Confident15 Ų1530.4 Ų30.411%0.10517%0.167CC..Hα-helixtrans-68.8-36-177.5-168.70000111.2I68 I291 S299I68-S295 WeakPolarHBondContact CD1-OG 3.28Å; I291-S295 WeakPolarHBondContact O-CB 3.25Å; I291-S295 PolarHBondContact O-N 2.77Å; S295-S299 VanDerWaalsContact O-CB 3.29Å; S295-S299 WeakPolarHBondContact O-CB 3.38Å; S295-S299 PolarHBondContact O-N 3.45Å; S295-S299 PolarHBondContact O-OG 3.28Å
296A73.8Confident71.9Confident33 Ų3329.8 Ų29.827%0.27317%0.166SC..Hα-helixtrans-64.5-42.2170.400000112.1I292 L293 Q294 S299 N300I292-A296 WeakPolarHBondContact O-CB 3.34Å; I292-A296 PolarHBondContact O-N 2.83Å; L293-A296 PolarHBondContact O-N 3.35Å; Q294-A296 VanDerWaalsContact C-N 3.34Å; Q294-A296 PolarHBondContact O-N 3.08Å; A296-S299 PolarHBondContact O-N 3.38Å; A296-N300 WeakPolarHBondContact O-CB 3.25Å; A296-N300 PolarHBondContact O-N 3.26Å; A296-N300 PolarHBondContact O-ND2 2.98Å; A296-N300 VanDerWaalsContact O-ND2 3.16Å
297L75.8Confident72.1Confident76 Ų7633.4 Ų33.440%0.39818%0.183SC..Hα-helixtrans-61.4-47.4176.5-177.8153000111.2L293 Q294 N300 L301 F375L293-L297 WeakPolarHBondContact O-CB 3.16Å; L293-L297 PolarHBondContact O-N 3.29Å; Q294-L297 WeakPolarHBondContact O-CB 3.41Å; Q294-L297 PolarHBondContact O-N 3.28Å; L297-N300 PolarHBondContact O-N 3.36Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 PolarHBondContact O-N 2.77Å; L297-F375 HydrophobicContact CD1-CE2 4.28Å; L297-F375 HydrophobicContact CD1-CZ 3.73Å
298V75.6Confident72.1Confident15 Ų1534.5 Ų34.59%0.09119%0.185CC..Hα-helixtrans-63.9-43.2178168.30000111.1Q294 N300 L301 Y302 F367Q294-V298 PolarHBondContact O-N 2.82Å; V298-N300 PolarHBondContact O-N 3.05Å; V298-L301 PolarHBondContact O-N 3.05Å; V298-Y302 HydrophobicContact CG1-CD2 3.82Å; V298-Y302 HydrophobicContact CG1-CE2 3.19Å; V298-Y302 VanDerWaalsContact O-CD2 3.31Å; V298-Y302 WeakPolarHBondContact O-CD2 3.31Å; V298-Y302 PolarHBondContact O-N 2.93Å; V298-F367 HydrophobicContact CG2-CE1 3.99Å
299S72.4Confident71.8Confident5 Ų535.2 Ų35.24%0.03519%0.191CC..Hα-helixtrans-61-44.4176.7-60.80000112.1S295 A296 L301 Y302 V303S295-S299 VanDerWaalsContact O-CB 3.29Å; S295-S299 WeakPolarHBondContact O-CB 3.38Å; S295-S299 PolarHBondContact O-N 3.45Å; S295-S299 PolarHBondContact O-OG 3.28Å; A296-S299 PolarHBondContact O-N 3.38Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 2.85Å; S299-Y302 PolarHBondContact O-N 3.45Å; S299-V303 WeakPolarHBondContact O-CG2 3.16Å; S299-V303 PolarHBondContact O-N 3.04Å
300N72.8Confident71.6Confident80 Ų8037.2 Ų37.243%0.42821%0.206SC..Hα-helixtrans-63.8-40176.7-72.1-28.2000111.6A296 L297 V298 Y302 V303 I304A296-N300 WeakPolarHBondContact O-CB 3.25Å; A296-N300 PolarHBondContact O-N 3.26Å; A296-N300 PolarHBondContact O-ND2 2.98Å; A296-N300 VanDerWaalsContact O-ND2 3.16Å; L297-N300 PolarHBondContact O-N 3.36Å; V298-N300 PolarHBondContact O-N 3.05Å; N300-Y302 VanDerWaalsContact C-N 3.33Å; N300-V303 PolarHBondContact O-N 2.85Å; N300-I304 WeakPolarHBondContact O-CB 3.4Å; N300-I304 VanDerWaalsContact O-CG1 3.24Å; N300-I304 WeakPolarHBondContact O-CG1 3.19Å; N300-I304 PolarHBondContact O-N 3.14Å
301L72.9Confident71.6Confident47 Ų4746.2 Ų46.225%0.24624%0.239CC..Hα-helixtrans-62.5-41.8176.2-165.4158.9000110.9L297 V298 S299 I304 S305 C342 F345L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 PolarHBondContact O-N 2.77Å; V298-L301 PolarHBondContact O-N 3.05Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 2.85Å; L301-I304 PolarHBondContact O-N 3.13Å; L301-S305 WeakPolarHBondContact O-CB 3.42Å; L301-S305 PolarHBondContact O-N 3.2Å; L301-C342 WeakPolarHBondContact CD2-SG 3.24Å; L301-F345 HydrophobicContact CD1-CD2 4.05Å; L301-F345 HydrophobicContact CD1-CE2 3.83Å; L301-F345 HydrophobicContact CD2-CD2 4.18Å; L301-F345 HydrophobicContact CD2-CE2 4.48Å
302Y70.5Confident71.1Confident12 Ų1251.9 Ų51.95%0.04726%0.264CS..Hα-helixtrans-61.2-48.2174.6-73.8-42.9000113.2V298 S299 N300 I304 S305 Q306 W324 C342 F345 S346V298-Y302 HydrophobicContact CG1-CD2 3.82Å; V298-Y302 HydrophobicContact CG1-CE2 3.19Å; V298-Y302 VanDerWaalsContact O-CD2 3.31Å; V298-Y302 WeakPolarHBondContact O-CD2 3.31Å; V298-Y302 PolarHBondContact O-N 2.93Å; S299-Y302 PolarHBondContact O-N 3.45Å; N300-Y302 VanDerWaalsContact C-N 3.33Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 2.81Å; Y302-S305 PolarHBondContact O-N 2.77Å; Y302-Q306 WeakPolarHBondContact O-CB 3.45Å; Y302-Q306 PolarHBondContact O-N 2.95Å; Y302-W324 AromaticContact CD1-CH2 3.73Å; Y302-W324 HydrophobicContact CD1-CH2 3.73Å; Y302-W324 AromaticContact CD1-CZ2 3.77Å; Y302-W324 HydrophobicContact CD1-CZ2 3.77Å; Y302-W324 HydrophobicContact CG-CH2 4.03Å; Y302-W324 HydrophobicContact CG-CZ2 4.31Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.28Å; Y302-C342 HydrophobicContact CD1-CB 3.98Å; Y302-C342 HydrophobicContact CE1-CB 3.83Å; Y302-C342 WeakPolarHBondContact CE1-O 3.44Å; Y302-F345 PolarHBondContact OH-O 3.07Å; Y302-S346 WeakPolarHBondContact OH-CA 3.18Å; Y302-S346 WeakPolarHBondContact OH-CB 3.44Å; Y302-S346 PolarHBondContact OH-N 2.96Å
303V67.9Low70.1Confident18 Ų1855 Ų5511%0.10929%0.29CS..Hα-helixtrans-59.1-46.8178.8170.80000110.6F62 S299 N300 S305 Q306 M307F62-V303 HydrophobicContact CD1-CG1 4.39Å; F62-V303 HydrophobicContact CD1-CG2 3.56Å; F62-V303 HydrophobicContact CE1-CB 4.23Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.57Å; F62-V303 HydrophobicContact CZ-CG1 4.21Å; S299-V303 WeakPolarHBondContact O-CG2 3.16Å; S299-V303 PolarHBondContact O-N 3.04Å; N300-V303 PolarHBondContact O-N 2.85Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 3.4Å; V303-Q306 PolarHBondContact O-N 2.91Å; V303-M307 HydrophobicContact CG1-CE 3.87Å; V303-M307 HydrophobicContact CG1-CG 4.48Å; V303-M307 HydrophobicContact CG1-SD 4.27Å; V303-M307 WeakPolarHBondContact O-CB 3.39Å; V303-M307 WeakPolarHBondContact O-CG 3.37Å; V303-M307 PolarHBondContact O-N 2.89Å
304I71.2Confident69.4Low93 Ų9356.2 Ų56.248%0.47731%0.31SS..Hα-helixtrans-59.9-48.3177.7-69.7168.9000109.6N300 L301 Y302 Q306 M307 L308N300-I304 WeakPolarHBondContact O-CB 3.4Å; N300-I304 VanDerWaalsContact O-CG1 3.24Å; N300-I304 WeakPolarHBondContact O-CG1 3.19Å; N300-I304 PolarHBondContact O-N 3.14Å; L301-I304 PolarHBondContact O-N 3.13Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 2.81Å; I304-Q306 PolarHBondContact O-N 3.31Å; I304-M307 PolarHBondContact O-N 3.49Å; I304-L308 HydrophobicContact CG2-CD1 3.75Å; I304-L308 WeakPolarHBondContact O-CB 3.16Å; I304-L308 WeakPolarHBondContact O-CD1 3.35Å; I304-L308 PolarHBondContact O-N 3.15Å
305S68.7Low68.9Low1 Ų160.3 Ų60.31%0.00733%0.332CS..Hα-helixtrans-60.4-44.3178.4175.60000112.3L301 Y302 V303 L308 S309 W324 C342L301-S305 WeakPolarHBondContact O-CB 3.42Å; L301-S305 PolarHBondContact O-N 3.2Å; Y302-S305 PolarHBondContact O-N 2.77Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 3.4Å; S305-L308 PolarHBondContact O-N 3.29Å; S305-S309 WeakPolarHBondContact O-CB 3.36Å; S305-S309 PolarHBondContact O-N 3.29Å; S305-S309 PolarHBondContact O-OG 3.14Å; S305-W324 PolarHBondContact OG-NE1 3.25Å; S305-C342 WeakPolarHBondContact CB-SG 3.43Å; S305-C342 PolarHBondContact OG-SG 3.39Å
306Q66.4Low68.4Low27 Ų2767.6 Ų67.613%0.12636%0.363CS..Hα-helixtrans-62.4-49.6178.6-169.3-1796.300110.3P61 Y302 V303 I304 L308 S309 T310 W324P61-Q306 PolarHBondContact O-OE1 3.41Å; Y302-Q306 WeakPolarHBondContact O-CB 3.45Å; Y302-Q306 PolarHBondContact O-N 2.95Å; V303-Q306 PolarHBondContact O-N 2.91Å; I304-Q306 PolarHBondContact O-N 3.31Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 3.2Å; Q306-S309 PolarHBondContact O-N 2.96Å; Q306-S309 VanDerWaalsContact O-N 3.16Å; Q306-S309 PolarHBondContact O-OG 3.04Å; Q306-T310 WeakPolarHBondContact O-CG2 3.5Å; Q306-T310 PolarHBondContact O-N 3.14Å; Q306-T310 PolarHBondContact O-OG1 3.22Å; Q306-W324 HydrophobicContact CB-CD2 4.23Å; Q306-W324 HydrophobicContact CB-CZ2 4.12Å; Q306-W324 HydrophobicContact CG-CD2 4.26Å
307M68.1Low67.8Low85 Ų8571.9 Ų71.942%0.41938%0.38SS..Hα-helixtrans-62.4-37.9178-71.8-170.2179.900113.2F62 V303 I304 T310 R311F62-M307 HydrophobicContact CZ-CE 4.19Å; V303-M307 HydrophobicContact CG1-CE 3.87Å; V303-M307 HydrophobicContact CG1-CG 4.48Å; V303-M307 HydrophobicContact CG1-SD 4.27Å; V303-M307 WeakPolarHBondContact O-CB 3.39Å; V303-M307 WeakPolarHBondContact O-CG 3.37Å; V303-M307 PolarHBondContact O-N 2.89Å; I304-M307 PolarHBondContact O-N 3.49Å; M307-T310 WeakPolarHBondContact CA-OG1 3.05Å; M307-T310 PolarHBondContact O-OG1 3.32Å; M307-R311 WeakPolarHBondContact O-CG 3.31Å; M307-R311 PolarHBondContact O-N 3.41Å
308L68.7Low67.3Low63 Ų6368.8 Ų68.833%0.3336%0.364SS..Hα-helixtrans-68-40175.1-94.474.7000111.1I304 S305 Q306 T310 R311 F312 V318I304-L308 HydrophobicContact CG2-CD1 3.75Å; I304-L308 WeakPolarHBondContact O-CB 3.16Å; I304-L308 WeakPolarHBondContact O-CD1 3.35Å; I304-L308 PolarHBondContact O-N 3.15Å; S305-L308 PolarHBondContact O-N 3.29Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-L308 PolarHBondContact O-N 3.2Å; L308-T310 VanDerWaalsContact C-N 3.35Å; L308-T310 PolarHBondContact O-N 2.92Å; L308-R311 PolarHBondContact O-N 3.37Å; L308-F312 WeakPolarHBondContact O-CA 3.31Å; L308-F312 PolarHBondContact O-N 2.84Å; L308-V318 HydrophobicContact CB-CG1 4.48Å
309S63.9Low66.8Low21 Ų2172 Ų7215%0.14738%0.381CS..Hα-helixtrans-65.6-36.7178.576.80000112.4S305 Q306S305-S309 WeakPolarHBondContact O-CB 3.36Å; S305-S309 PolarHBondContact O-N 3.29Å; S305-S309 PolarHBondContact O-OG 3.14Å; Q306-S309 PolarHBondContact O-N 2.96Å; Q306-S309 VanDerWaalsContact O-N 3.16Å; Q306-S309 PolarHBondContact O-OG 3.04Å
310T66.6Low66.4Low103 Ų10376 Ų7663%0.63240%0.402SS*.Hα-helixtrans-75.2-29.5177.9550000113.2Q306 M307 L308Q306-T310 WeakPolarHBondContact O-CG2 3.5Å; Q306-T310 PolarHBondContact O-N 3.14Å; Q306-T310 PolarHBondContact O-OG1 3.22Å; M307-T310 WeakPolarHBondContact CA-OG1 3.05Å; M307-T310 PolarHBondContact O-OG1 3.32Å; L308-T310 VanDerWaalsContact C-N 3.35Å; L308-T310 PolarHBondContact O-N 2.92Å
311R66.9Low66Low191 Ų19174.7 Ų74.772%0.72140%0.395SS*.Hα-helixtrans-94.5-29.1-178.8-68.4-171-162.3-130.74.8114.2M307 L308M307-R311 WeakPolarHBondContact O-CG 3.31Å; M307-R311 PolarHBondContact O-N 3.41Å; L308-R311 PolarHBondContact O-N 3.37Å
312F63.6Low65.4Low122 Ų12272.5 Ų72.554%0.53538%0.383SS..  trans-132.651.5-172.9-65.7-76.7000112.1L308 G314 V318L308-F312 WeakPolarHBondContact O-CA 3.31Å; L308-F312 PolarHBondContact O-N 2.84Å; F312-G314 PolarHBondContact O-N 2.94Å; F312-G314 VanDerWaalsContact O-N 3.07Å; F312-V318 HydrophobicContact CB-CG2 4.11Å
313S55.5Low65Low106 Ų10674.4 Ų74.474%0.74140%0.396SS*.THydrogen-bonded Turntrans-63.6107.6172.159.20000110.2
314G60.7Low64.9Low60 Ų6075.4 Ų75.462%0.61940%0.398SS*.THydrogen-bonded Turntrans137.6-13.8175.600000116.5F312F312-G314 PolarHBondContact O-N 2.94Å; F312-G314 VanDerWaalsContact O-N 3.07Å
315N69.4Low64.2Low93 Ų9373 Ų7350%0.49739%0.389SS..  trans-80.5135.3176.6-77-5.4000111.4L317 V318 N319N315-L317 PolarHBondContact O-N 3.38Å; N315-V318 HydrophobicContact CB-CB 4.16Å; N315-V318 HydrophobicContact CB-CG2 3.81Å; N315-V318 PolarHBondContact O-N 2.85Å; N315-N319 PolarHBondContact O-N 2.84Å
316F64.4Low63.4Low168 Ų16878.6 Ų78.674%0.73742%0.419SS*.Hα-helixtrans-52.4-40.2175.8179.3-98.3000112.6V318 L320F316-V318 PolarHBondContact O-N 3.36Å; F316-L320 WeakPolarHBondContact O-CB 3.26Å; F316-L320 PolarHBondContact O-N 3.37Å
317L62.8Low62.3Low124 Ų12481 Ų8165%0.64944%0.436SS*.Hα-helixtrans-66-34.4176.4-72.9163.4000113.1N315 L321N315-L317 PolarHBondContact O-N 3.38Å; L317-L321 WeakPolarHBondContact O-CB 3.2Å; L317-L321 WeakPolarHBondContact O-CD1 3.47Å; L317-L321 PolarHBondContact O-N 3.39Å
318V64.7Low60.9Low10 Ų1082.8 Ų82.86%0.06146%0.457CS..Hα-helixtrans-75.9-40.4179.7177.70000110.2L308 F312 N315 F316 L320 L321 G322L308-V318 HydrophobicContact CB-CG1 4.48Å; F312-V318 HydrophobicContact CB-CG2 4.11Å; N315-V318 HydrophobicContact CB-CB 4.16Å; N315-V318 HydrophobicContact CB-CG2 3.81Å; N315-V318 PolarHBondContact O-N 2.85Å; F316-V318 PolarHBondContact O-N 3.36Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 3.44Å; V318-L321 PolarHBondContact O-N 3.48Å; V318-G322 PolarHBondContact O-N 3.01Å
319N63.8Low59.2Low83 Ų8384.2 Ų84.244%0.44447%0.472SS..Hα-helixtrans-65.7-32.9172.3-77.91.6000112.5N315 T323N315-N319 PolarHBondContact O-N 2.84Å; N319-T323 HydrophobicContact CB-CG2 4.24Å; N319-T323 WeakPolarHBondContact OD1-CG2 3.34Å
320L64.9Low57.8Low90 Ų9086.7 Ų86.747%0.47150%0.501SS..Hα-helixtrans-69.7-36.4172.9-171.470000111.9F316 V318 G340 L341F316-L320 WeakPolarHBondContact O-CB 3.26Å; F316-L320 PolarHBondContact O-N 3.37Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 3.44Å; L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.2Å; L320-L341 PolarHBondContact O-N 3Å
321L63.6Low56.5Low52 Ų5284.3 Ų84.327%0.27250%0.496SS..Hα-helixtrans-68.9-49.6177.3-110.2122.5000111.9L317 V318 L341 C342L317-L321 WeakPolarHBondContact O-CB 3.2Å; L317-L321 WeakPolarHBondContact O-CD1 3.47Å; L317-L321 PolarHBondContact O-N 3.39Å; V318-L321 PolarHBondContact O-N 3.48Å; L321-L341 PolarHBondContact O-N 2.83Å; L321-C342 WeakPolarHBondContact O-CB 3.42Å; L321-C342 PolarHBondContact O-N 2.73Å; L321-C342 PolarHBondContact O-SG 3.49Å
322G60.8Low55Low0 Ų080.2 Ų80.20%049%0.494CS..  trans174.7124.817900000113.4V318 G339V318-G322 PolarHBondContact O-N 3.01Å; G322-G339 CarbonylContact C-O 3.54Å; G322-G339 WeakPolarHBondContact CA-O 3.43Å
323T61.9Low53.8Low52 Ų5277.5 Ų77.532%0.31949%0.494SS..EExtended strand (participates in β ladder)trans-95.6114165.7520000108.9N319 V338 G339N319-T323 HydrophobicContact CB-CG2 4.24Å; N319-T323 WeakPolarHBondContact OD1-CG2 3.34Å; T323-V338 PolarHBondContact O-N 3.46Å; T323-G339 PolarHBondContact N-O 3.46Å; T323-G339 PolarHBondContact O-N 2.95Å; T323-G339 WeakPolarHBondContact OG1-CA 3.34Å; T323-G339 PolarHBondContact OG1-N 3Å
324W66.1Low53.6Low40 Ų4076.9 Ų76.915%0.15248%0.476CS..EExtended strand (participates in β ladder)trans-91.1135.4177.4-63.578000109.1Y302 S305 Q306 A335 Y336 P337Y302-W324 AromaticContact CD1-CH2 3.73Å; Y302-W324 HydrophobicContact CD1-CH2 3.73Å; Y302-W324 AromaticContact CD1-CZ2 3.77Å; Y302-W324 HydrophobicContact CD1-CZ2 3.77Å; Y302-W324 HydrophobicContact CG-CH2 4.03Å; Y302-W324 HydrophobicContact CG-CZ2 4.31Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.28Å; S305-W324 PolarHBondContact OG-NE1 3.25Å; Q306-W324 HydrophobicContact CB-CD2 4.23Å; Q306-W324 HydrophobicContact CB-CZ2 4.12Å; Q306-W324 HydrophobicContact CG-CD2 4.26Å; W324-A335 HydrophobicContact CE3-CB 3.88Å; W324-A335 HydrophobicContact CZ3-CB 4.46Å; W324-A335 WeakPolarHBondContact CZ3-O 3.43Å; W324-Y336 WeakPolarHBondContact CA-O 3.22Å; W324-P337 HydrophobicContact CD2-CB 4.34Å; W324-P337 HydrophobicContact CE3-CB 4.35Å; W324-P337 HydrophobicContact CH2-CB 4.47Å; W324-P337 HydrophobicContact CH2-CG 4.39Å; W324-P337 HydrophobicContact CZ2-CB 4.45Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.31Å
325S55.9Low53.2Low43 Ų4374.9 Ų74.930%0.30145%0.454SS..EExtended strand (participates in β ladder)trans-124.8136.1169.194.70000110.3T327 Y336 V338S325-T327 PolarHBondContact O-N 3.42Å; S325-T327 PolarHBondContact OG-OG1 2.94Å; S325-Y336 PolarHBondContact N-O 3.23Å; S325-Y336 PolarHBondContact O-N 3.48Å; S325-Y336 VanDerWaalsContact O-N 3.16Å; S325-V338 WeakPolarHBondContact OG-CG2 3.31Å
326D53Low52.6Low117 Ų11773.5 Ų73.563%0.62644%0.442SS*.EExtended strand (participates in β ladder)trans-83.588.1172.5-67.3-35.2000108.1S328 A335D326-S328 PolarHBondContact O-N 3.07Å; D326-S328 VanDerWaalsContact O-N 3.17Å; D326-A335 WeakPolarHBondContact OD1-CB 3.39Å
327T42.9Very low52.4Low79 Ų7966.1 Ų66.149%0.48541%0.411SS..  trans-79101.4170.3-64.50000108.7S325 S329S325-T327 PolarHBondContact O-N 3.42Å; S325-T327 PolarHBondContact OG-OG1 2.94Å; T327-S329 PolarHBondContact O-N 3.09Å
328S38.2Very low52.2Low122 Ų12264.4 Ų64.485%0.85341%0.405SS*.  trans-76.858.3174.939.30000111.7D326D326-S328 PolarHBondContact O-N 3.07Å; D326-S328 VanDerWaalsContact O-N 3.17Å
329S32.7Very low51.9Low93 Ų9364.7 Ų64.765%0.6541%0.41SS*.SBendtrans-109.784.1171.864.80000111.4T327 G331T327-S329 PolarHBondContact O-N 3.09Å; S329-G331 PolarHBondContact O-N 3.25Å
330G36.5Very low52.1Low73 Ų7361.8 Ų61.875%0.75340%0.4SS*.SBendtrans76.215.2150.500000119.1
331G37.4Very low52.2Low52 Ų5261.3 Ų61.354%0.53640%0.397SS..SBendtrans-142.5171.2170.400000111.2S329 A333S329-G331 PolarHBondContact O-N 3.25Å; G331-A333 PolarHBondContact O-N 2.83Å
332P36.8Very low52.3Low105 Ų10558.9 Ų58.968%0.68238%0.384SS*.SBendtrans-51.3135.8179.220.9-31.4000109.8R334P332-R334 WeakPolarHBondContact O-CG 3.47Å; P332-R334 PolarHBondContact O-N 3.27Å
333A37.2Very low52.7Low65 Ų6562 Ų6254%0.53740%0.396SS..  trans-47.9101.5-17200000111.8A59 G331A59-A333 HydrophobicContact CB-CB 4.07Å; G331-A333 PolarHBondContact O-N 2.83Å
334R51.6Low53.2Low94 Ų9463.8 Ų63.836%0.35540%0.398SS..  trans-108.3117.1176.3-77.5177.3-173.3177.25.6107.9Y63 P332 Y336Y63-R334 PolarHBondContact OH-NH2 3.39Å; P332-R334 WeakPolarHBondContact O-CG 3.47Å; P332-R334 PolarHBondContact O-N 3.27Å; R334-Y336 HydrophobicContact CB-CD2 4.01Å; R334-Y336 HydrophobicContact CB-CE2 3.46Å; R334-Y336 VanDerWaalsContact CB-CE2 3.46Å; R334-Y336 WeakPolarHBondContact CD-OH 3.32Å; R334-Y336 HydrophobicContact CG-CE2 4.43Å; R334-Y336 PolarHBondContact NH1-OH 3.48Å; R334-Y336 WeakPolarHBondContact O-CD2 3.36Å; R334-Y336 PolarHBondContact O-N 2.97Å
335A52.4Low53.4Low18 Ų1863.6 Ų63.615%0.14940%0.399CS..EExtended strand (participates in β ladder)trans-72.7119.8167.500000107.8W324 D326W324-A335 HydrophobicContact CE3-CB 3.88Å; W324-A335 HydrophobicContact CZ3-CB 4.46Å; W324-A335 WeakPolarHBondContact CZ3-O 3.43Å; D326-A335 WeakPolarHBondContact OD1-CB 3.39Å
336Y57.1Low54Low64 Ų6462.4 Ų62.425%0.25139%0.39SS..EExtended strand (participates in β ladder)trans-104.8136.4175.6-78.2-81.2000109.8W324 S325 R334 V338 E349W324-Y336 WeakPolarHBondContact CA-O 3.22Å; S325-Y336 PolarHBondContact N-O 3.23Å; S325-Y336 PolarHBondContact O-N 3.48Å; S325-Y336 VanDerWaalsContact O-N 3.16Å; R334-Y336 HydrophobicContact CB-CD2 4.01Å; R334-Y336 HydrophobicContact CB-CE2 3.46Å; R334-Y336 VanDerWaalsContact CB-CE2 3.46Å; R334-Y336 WeakPolarHBondContact CD-OH 3.32Å; R334-Y336 HydrophobicContact CG-CE2 4.43Å; R334-Y336 PolarHBondContact NH1-OH 3.48Å; R334-Y336 WeakPolarHBondContact O-CD2 3.36Å; R334-Y336 PolarHBondContact O-N 2.97Å; Y336-V338 PolarHBondContact O-N 3.14Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.46Å; Y336-E349 PolarHBondContact OH-OE1 2.87Å
337P59.1Low54.7Low13 Ų1358.3 Ų58.38%0.08437%0.37CS..EExtended strand (participates in β ladder)trans-70.6113.2168.329.3-30000107.8W324 C342 Y343W324-P337 HydrophobicContact CD2-CB 4.34Å; W324-P337 HydrophobicContact CE3-CB 4.35Å; W324-P337 HydrophobicContact CH2-CB 4.47Å; W324-P337 HydrophobicContact CH2-CG 4.39Å; W324-P337 HydrophobicContact CZ2-CB 4.45Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.31Å; P337-C342 HydrophobicContact CB-CB 4.14Å; P337-Y343 WeakPolarHBondContact O-CD2 3.48Å
338V59.7Low55.7Low88 Ų8855 Ų5553%0.53335%0.349SS..EExtended strand (participates in β ladder)trans-94-9178.7-178.20000111.7T323 S325 Y336T323-V338 PolarHBondContact O-N 3.46Å; S325-V338 WeakPolarHBondContact OG-CG2 3.31Å; Y336-V338 PolarHBondContact O-N 3.14Å
339G57.7Low56.7Low16 Ų1654.5 Ų54.517%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-163.3166.6174.800000113.1G322 T323G322-G339 CarbonylContact C-O 3.54Å; G322-G339 WeakPolarHBondContact CA-O 3.43Å; T323-G339 PolarHBondContact N-O 3.46Å; T323-G339 PolarHBondContact O-N 2.95Å; T323-G339 WeakPolarHBondContact OG1-CA 3.34Å; T323-G339 PolarHBondContact OG1-N 3Å
340G68.8Low58Low21 Ų2152.4 Ų52.422%0.21632%0.319CS..SBendtrans96.7-175.4175.800000115.4L320 C342 Y343 Y344L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.2Å; G340-C342 PolarHBondContact O-N 2.87Å; G340-Y343 VanDerWaalsContact O-CB 3.26Å; G340-Y343 WeakPolarHBondContact O-CB 3.26Å; G340-Y343 PolarHBondContact O-N 2.98Å; G340-Y344 WeakPolarHBondContact O-CD2 3.41Å
341L66.7Low59.1Low81 Ų8155.7 Ų55.742%0.42431%0.313SS..Hα-helixtrans-58.9-32.3176.5-72.8168.7000112.4L320 L321 Y343 Y344 F345L320-L341 PolarHBondContact O-N 3Å; L321-L341 PolarHBondContact O-N 2.83Å; L341-Y343 VanDerWaalsContact C-N 3.3Å; L341-Y343 PolarHBondContact O-N 3.23Å; L341-Y344 PolarHBondContact O-N 3.47Å; L341-F345 HydrophobicContact CB-CE2 4.46Å; L341-F345 WeakPolarHBondContact O-CD2 3.47Å; L341-F345 WeakPolarHBondContact O-CG 3.32Å; L341-F345 PolarHBondContact O-N 3.02Å; L341-F345 VanDerWaalsContact O-N 3.15Å
342C65.5Low60.2Low0 Ų055 Ų550%031%0.305CS..Hα-helixtrans-66.4-29.8173.8-69.10000113L301 Y302 S305 L321 P337 G340 S346L301-C342 WeakPolarHBondContact CD2-SG 3.24Å; Y302-C342 HydrophobicContact CD1-CB 3.98Å; Y302-C342 HydrophobicContact CE1-CB 3.83Å; Y302-C342 WeakPolarHBondContact CE1-O 3.44Å; S305-C342 WeakPolarHBondContact CB-SG 3.43Å; S305-C342 PolarHBondContact OG-SG 3.39Å; L321-C342 WeakPolarHBondContact O-CB 3.42Å; L321-C342 PolarHBondContact O-N 2.73Å; L321-C342 PolarHBondContact O-SG 3.49Å; P337-C342 HydrophobicContact CB-CB 4.14Å; G340-C342 PolarHBondContact O-N 2.87Å; C342-S346 WeakPolarHBondContact O-CB 3.39Å; C342-S346 PolarHBondContact O-N 2.89Å
343Y69.8Low61.5Low65 Ų6552.2 Ų52.226%0.25529%0.289SS..Hα-helixtrans-60.7-50.9170.7-177.8-112000109.2P337 G340 L341 F345 S346 D357 H360P337-Y343 WeakPolarHBondContact O-CD2 3.48Å; G340-Y343 VanDerWaalsContact O-CB 3.26Å; G340-Y343 WeakPolarHBondContact O-CB 3.26Å; G340-Y343 PolarHBondContact O-N 2.98Å; L341-Y343 VanDerWaalsContact C-N 3.3Å; L341-Y343 PolarHBondContact O-N 3.23Å; Y343-F345 VanDerWaalsContact C-N 3.3Å; Y343-F345 PolarHBondContact O-N 3.23Å; Y343-S346 WeakPolarHBondContact O-CB 3.24Å; Y343-S346 PolarHBondContact O-N 3.11Å; Y343-S346 PolarHBondContact O-OG 2.7Å; Y343-D357 PolarHBondContact OH-OD2 2.97Å; Y343-H360 AromaticContact CD1-ND1 3.94Å; Y343-H360 HydrophobicContact CE1-CB 4.05Å; Y343-H360 AromaticContact CE1-CG 3.69Å; Y343-H360 AromaticContact CE1-ND1 3.96Å; Y343-H360 PolarHBondContact O-CE1 2.91Å
344Y71.4Confident62.9Low90 Ų9050.6 Ų50.635%0.35327%0.272SS..Hα-helixtrans-62.9-26.9-178.9-69.7-65.5000115.9G340 L341 S346 H360 I363G340-Y344 WeakPolarHBondContact O-CD2 3.41Å; L341-Y344 PolarHBondContact O-N 3.47Å; Y344-S346 VanDerWaalsContact C-N 3.35Å; Y344-H360 VanDerWaalsContact CA-CE1 3.45Å; Y344-H360 WeakPolarHBondContact CA-CE1 3.45Å; Y344-H360 WeakPolarHBondContact CA-ND1 3.3Å; Y344-H360 AromaticContact CD1-ND1 3.58Å; Y344-H360 HydrophobicContact CE1-CB 4.5Å; Y344-I363 HydrophobicContact CD1-CB 4.2Å; Y344-I363 HydrophobicContact CD1-CD1 3.7Å; Y344-I363 HydrophobicContact CD1-CG2 4.16Å; Y344-I363 HydrophobicContact CE1-CD1 3.64Å; Y344-I363 HydrophobicContact CG-CD1 4.49Å; Y344-I363 HydrophobicContact CG-CG2 4.34Å
345F70.9Confident63.7Low37 Ų3751.9 Ų51.916%0.16229%0.285CS..Hα-helixtrans-85.1-11.6174.6-60.9-29.1000113.1L301 Y302 L341 Y343 Y364 F367L301-F345 HydrophobicContact CD1-CD2 4.05Å; L301-F345 HydrophobicContact CD1-CE2 3.83Å; L301-F345 HydrophobicContact CD2-CD2 4.18Å; L301-F345 HydrophobicContact CD2-CE2 4.48Å; Y302-F345 PolarHBondContact OH-O 3.07Å; L341-F345 HydrophobicContact CB-CE2 4.46Å; L341-F345 WeakPolarHBondContact O-CD2 3.47Å; L341-F345 WeakPolarHBondContact O-CG 3.32Å; L341-F345 PolarHBondContact O-N 3.02Å; L341-F345 VanDerWaalsContact O-N 3.15Å; Y343-F345 VanDerWaalsContact C-N 3.3Å; Y343-F345 PolarHBondContact O-N 3.23Å; F345-Y364 WeakPolarHBondContact O-CE2 3.23Å; F345-F367 AromaticContact CD1-CD1 3.65Å; F345-F367 HydrophobicContact CD1-CD1 3.65Å; F345-F367 HydrophobicContact CD1-CD2 4.08Å; F345-F367 AromaticContact CD1-CE1 3.65Å; F345-F367 HydrophobicContact CD1-CE1 3.65Å; F345-F367 HydrophobicContact CD1-CE2 4.08Å; F345-F367 AromaticContact CD1-CG 3.87Å; F345-F367 HydrophobicContact CD1-CG 3.87Å; F345-F367 AromaticContact CD1-CZ 3.87Å; F345-F367 HydrophobicContact CD1-CZ 3.87Å; F345-F367 HydrophobicContact CE1-CD1 4.06Å; F345-F367 AromaticContact CE1-CD2 3.6Å; F345-F367 HydrophobicContact CE1-CD2 3.6Å; F345-F367 HydrophobicContact CE1-CE1 4.01Å; F345-F367 AromaticContact CE1-CE2 3.56Å; F345-F367 HydrophobicContact CE1-CE2 3.56Å; F345-F367 AromaticContact CE1-CG 3.85Å; F345-F367 HydrophobicContact CE1-CG 3.85Å; F345-F367 AromaticContact CE1-CZ 3.77Å; F345-F367 HydrophobicContact CE1-CZ 3.77Å; F345-F367 HydrophobicContact CG-CD1 4.45Å; F345-F367 HydrophobicContact CG-CE1 4.1Å; F345-F367 HydrophobicContact CG-CZ 4.35Å; F345-F367 HydrophobicContact CZ-CD2 4.4Å; F345-F367 AromaticContact CZ-CE2 3.97Å; F345-F367 HydrophobicContact CZ-CE2 3.97Å; F345-F367 HydrophobicContact CZ-CZ 4.15Å
346S68.3Low64.7Low17 Ų1757.2 Ų57.212%0.11931%0.311CS..SBendtrans-83134.7-175.272.10000111.3Y302 C342 Y343 Y344 H360Y302-S346 WeakPolarHBondContact OH-CA 3.18Å; Y302-S346 WeakPolarHBondContact OH-CB 3.44Å; Y302-S346 PolarHBondContact OH-N 2.96Å; C342-S346 WeakPolarHBondContact O-CB 3.39Å; C342-S346 PolarHBondContact O-N 2.89Å; Y343-S346 WeakPolarHBondContact O-CB 3.24Å; Y343-S346 PolarHBondContact O-N 3.11Å; Y343-S346 PolarHBondContact O-OG 2.7Å; Y344-S346 VanDerWaalsContact C-N 3.35Å; S346-H360 PolarHBondContact O-CE1 3.35Å; S346-H360 PolarHBondContact O-NE2 3.15Å; S346-H360 VanDerWaalsContact O-NE2 3.13Å
347P67.4Low65.6Low31 Ų3157.6 Ų57.620%0.20132%0.318CS..PPolyproline II helixtrans-64132.2176.925.9-31.5000108.9W64 E349 Y364 D436W64-P347 HydrophobicContact CH2-CG 4.34Å; P347-E349 PolarHBondContact O-N 3.36Å; P347-Y364 HydrophobicContact CB-CE1 4.4Å; P347-Y364 HydrophobicContact CB-CE2 4.17Å; P347-D436 HydrophobicContact CB-CB 4.33Å
348P65.3Low66.5Low9 Ų960.9 Ų60.96%0.05834%0.339CS..PPolyproline II helixtrans-66.2131.3171.527-31.6000109.5S350 V354 F437P348-S350 VanDerWaalsContact C-N 3.28Å; P348-S350 PolarHBondContact O-N 3.23Å; P348-V354 HydrophobicContact CB-CG2 3.88Å; P348-V354 HydrophobicContact CG-CG2 3.67Å; P348-F437 HydrophobicContact CG-CD1 3.88Å; P348-F437 HydrophobicContact CG-CE1 3.42Å; P348-F437 VanDerWaalsContact CG-CE1 3.42Å; P348-F437 HydrophobicContact CG-CZ 4.49Å
349E57.9Low67.7Low113 Ų11362.4 Ų62.453%0.52834%0.343SS..SBendtrans-72.8-18.2-170.4-65.1-159.2136.600114.2Y336 P347Y336-E349 WeakPolarHBondContact CE1-OE1 3.46Å; Y336-E349 PolarHBondContact OH-OE1 2.87Å; P347-E349 PolarHBondContact O-N 3.36Å
350S60.3Low68.6Low48 Ų4862 Ų6234%0.33634%0.337SS..SBendtrans-154.3157-175.573.90000113.3P348 G352 S353 V354P348-S350 VanDerWaalsContact C-N 3.28Å; P348-S350 PolarHBondContact O-N 3.23Å; S350-G352 PolarHBondContact O-N 2.87Å; S350-G352 VanDerWaalsContact O-N 3.17Å; S350-G352 PolarHBondContact OG-N 3.4Å; S350-S353 WeakPolarHBondContact O-CB 3.29Å; S350-S353 PolarHBondContact O-N 3.17Å; S350-S353 PolarHBondContact OG-N 2.88Å; S350-S353 PolarHBondContact OG-OG 3.34Å; S350-V354 PolarHBondContact O-N 2.88Å
351F59Low69Low143 Ų14361.2 Ų61.263%0.62733%0.328SS*.Hα-helixtrans-56.2-28171.1-165.4-97.5000112.8L355F351-L355 HydrophobicContact CD1-CD1 3.87Å; F351-L355 HydrophobicContact CE1-CD1 3.74Å; F351-L355 HydrophobicContact CE1-CG 4.44Å; F351-L355 PolarHBondContact O-N 3.46Å
352G61Low69.9Low36 Ų3659.8 Ų59.837%0.37133%0.328SS..Hα-helixtrans-66.8-47.3173.600000112.1S350 V354 L355 D356S350-G352 PolarHBondContact O-N 2.87Å; S350-G352 VanDerWaalsContact O-N 3.17Å; S350-G352 PolarHBondContact OG-N 3.4Å; G352-V354 PolarHBondContact O-N 3.31Å; G352-L355 WeakPolarHBondContact O-CB 3.38Å; G352-L355 PolarHBondContact O-N 2.91Å; G352-D356 PolarHBondContact O-N 3.47Å; G352-D356 VanDerWaalsContact O-N 3.09Å
353S63.9Low70.8Confident48 Ų4863.1 Ų63.134%0.33635%0.345SS..Hα-helixtrans-63.5-28.6177.7-45.50000113.1S350 D357S350-S353 WeakPolarHBondContact O-CB 3.29Å; S350-S353 PolarHBondContact O-N 3.17Å; S350-S353 PolarHBondContact OG-N 2.88Å; S350-S353 PolarHBondContact OG-OG 3.34Å; S353-D357 PolarHBondContact O-N 3.07Å; S353-D357 VanDerWaalsContact O-N 3.13Å
354V66.9Low71.4Confident31 Ų3160.5 Ų60.519%0.18834%0.335CS..Hα-helixtrans-70.8-34.2174.4173.80000112.1P348 S350 G352 A361 F437P348-V354 HydrophobicContact CB-CG2 3.88Å; P348-V354 HydrophobicContact CG-CG2 3.67Å; S350-V354 PolarHBondContact O-N 2.88Å; G352-V354 PolarHBondContact O-N 3.31Å; V354-A361 HydrophobicContact CB-CB 4.46Å; V354-A361 HydrophobicContact CG1-CB 3.84Å; V354-A361 HydrophobicContact CG2-CB 4.32Å; V354-F437 HydrophobicContact CG2-CD1 4.06Å; V354-F437 HydrophobicContact CG2-CE1 4.1Å
355L68.6Low72.1Confident121 Ų12158.8 Ų58.863%0.63433%0.331SS*.Hα-helixtrans-73.9-35.1176.6-80.6159.4000111.9F351 G352F351-L355 HydrophobicContact CD1-CD1 3.87Å; F351-L355 HydrophobicContact CE1-CD1 3.74Å; F351-L355 HydrophobicContact CE1-CG 4.44Å; F351-L355 PolarHBondContact O-N 3.46Å; G352-L355 WeakPolarHBondContact O-CB 3.38Å; G352-L355 PolarHBondContact O-N 2.91Å
356D73.8Confident72.9Confident130 Ų13061.4 Ų61.470%0.69535%0.353SS*.Hα-helixtrans-72.6-42.9179.6-65.2-27.9000111.5G352 P358G352-D356 PolarHBondContact O-N 3.47Å; G352-D356 VanDerWaalsContact O-N 3.09Å; D356-P358 WeakPolarHBondContact O-CD 3.46Å
357D75.4Confident73.8Confident72 Ų7263.5 Ų63.539%0.38536%0.36SS..  trans-12377.6179.1-77.2-27.7000112.9Y343 S353 I359 H360 A361Y343-D357 PolarHBondContact OH-OD2 2.97Å; S353-D357 PolarHBondContact O-N 3.07Å; S353-D357 VanDerWaalsContact O-N 3.13Å; D357-I359 VanDerWaalsContact C-N 3.27Å; D357-I359 PolarHBondContact O-N 3.44Å; D357-H360 HydrophobicContact CB-CB 3.91Å; D357-H360 PolarHBondContact O-N 3Å; D357-A361 PolarHBondContact O-N 2.93Å
358P79.3Confident74.6Confident82 Ų8262.2 Ų62.253%0.53235%0.351SS..Hα-helixtrans-67.1-27.2-177.525.7-34.5000113.3D356 A362D356-P358 WeakPolarHBondContact O-CD 3.46Å; P358-A362 WeakPolarHBondContact O-CB 3.47Å; P358-A362 PolarHBondContact O-N 3.32Å
359I82.9Confident75.6Confident120 Ų12063.7 Ų63.762%0.61536%0.359SS*.Hα-helixtrans-69-41.8178.5-62.9171.3000110.4D357 A362 I363D357-I359 VanDerWaalsContact C-N 3.27Å; D357-I359 PolarHBondContact O-N 3.44Å; I359-A362 PolarHBondContact O-N 3.46Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.44Å; I359-I363 PolarHBondContact O-N 2.77Å
360H77.3Confident77.1Confident8 Ų860.3 Ų60.34%0.03735%0.354CS..Hα-helixtrans-60.2-50.5176.5175.943.3000110.7Y343 Y344 S346 D357 A362 I363 Y364Y343-H360 AromaticContact CD1-ND1 3.94Å; Y343-H360 HydrophobicContact CE1-CB 4.05Å; Y343-H360 AromaticContact CE1-CG 3.69Å; Y343-H360 AromaticContact CE1-ND1 3.96Å; Y343-H360 PolarHBondContact O-CE1 2.91Å; Y344-H360 VanDerWaalsContact CA-CE1 3.45Å; Y344-H360 WeakPolarHBondContact CA-CE1 3.45Å; Y344-H360 WeakPolarHBondContact CA-ND1 3.3Å; Y344-H360 AromaticContact CD1-ND1 3.58Å; Y344-H360 HydrophobicContact CE1-CB 4.5Å; S346-H360 PolarHBondContact O-CE1 3.35Å; S346-H360 PolarHBondContact O-NE2 3.15Å; S346-H360 VanDerWaalsContact O-NE2 3.13Å; D357-H360 HydrophobicContact CB-CB 3.91Å; D357-H360 PolarHBondContact O-N 3Å; H360-A362 VanDerWaalsContact C-N 3.34Å; H360-A362 PolarHBondContact O-N 3.33Å; H360-I363 PolarHBondContact O-N 2.89Å; H360-Y364 WeakPolarHBondContact O-CB 3.29Å; H360-Y364 PolarHBondContact O-N 2.92Å
361A78Confident78.3Confident4 Ų458.8 Ų58.83%0.03334%0.343CS..Hα-helixtrans-59-43.1177.400000112.4V354 D357 I363 Y364 I365V354-A361 HydrophobicContact CB-CB 4.46Å; V354-A361 HydrophobicContact CG1-CB 3.84Å; V354-A361 HydrophobicContact CG2-CB 4.32Å; D357-A361 PolarHBondContact O-N 2.93Å; A361-I363 PolarHBondContact O-N 3.01Å; A361-Y364 PolarHBondContact O-N 3.06Å; A361-I365 WeakPolarHBondContact O-CB 3.4Å; A361-I365 WeakPolarHBondContact O-CD1 3.48Å; A361-I365 WeakPolarHBondContact O-CG1 3.12Å; A361-I365 PolarHBondContact O-N 3.37Å
362A84.3Confident79.4Confident51 Ų5152 Ų5242%0.42131%0.314SS..Hα-helixtrans-63.3-41.9178.800000112.8P358 I359 H360 C366P358-A362 WeakPolarHBondContact O-CB 3.47Å; P358-A362 PolarHBondContact O-N 3.32Å; I359-A362 PolarHBondContact O-N 3.46Å; H360-A362 VanDerWaalsContact C-N 3.34Å; H360-A362 PolarHBondContact O-N 3.33Å; A362-C366 WeakPolarHBondContact O-CB 2.96Å; A362-C366 PolarHBondContact O-N 3.48Å; A362-C366 PolarHBondContact O-SG 3.25Å; A362-C366 VanDerWaalsContact O-SG 3.41Å
363I85.3Confident80.6Confident70 Ų7051.2 Ų51.236%0.35930%0.304SS..Hα-helixtrans-65.8-44.9177.1-68.2167.5000110.3Y344 I359 H360 A361 I365 C366 F367Y344-I363 HydrophobicContact CD1-CB 4.2Å; Y344-I363 HydrophobicContact CD1-CD1 3.7Å; Y344-I363 HydrophobicContact CD1-CG2 4.16Å; Y344-I363 HydrophobicContact CE1-CD1 3.64Å; Y344-I363 HydrophobicContact CG-CD1 4.49Å; Y344-I363 HydrophobicContact CG-CG2 4.34Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.44Å; I359-I363 PolarHBondContact O-N 2.77Å; H360-I363 PolarHBondContact O-N 2.89Å; A361-I363 PolarHBondContact O-N 3.01Å; I363-I365 PolarHBondContact O-N 3.37Å; I363-C366 PolarHBondContact O-N 2.94Å; I363-F367 VanDerWaalsContact O-CB 3.26Å; I363-F367 WeakPolarHBondContact O-CB 3.34Å; I363-F367 PolarHBondContact O-N 3.08Å
364Y82.9Confident81.7Confident10 Ų1055 Ų554%0.03932%0.315CS..Hα-helixtrans-57.6-49.9176175.7-102.2000111.4F345 P347 H360 A361 C366 F367 M368 V433 D436 F437F345-Y364 WeakPolarHBondContact O-CE2 3.23Å; P347-Y364 HydrophobicContact CB-CE1 4.4Å; P347-Y364 HydrophobicContact CB-CE2 4.17Å; H360-Y364 WeakPolarHBondContact O-CB 3.29Å; H360-Y364 PolarHBondContact O-N 2.92Å; A361-Y364 PolarHBondContact O-N 3.06Å; Y364-C366 PolarHBondContact O-N 3.32Å; Y364-F367 PolarHBondContact O-N 3.47Å; Y364-M368 HydrophobicContact CE1-CG 4.5Å; Y364-M368 WeakPolarHBondContact O-CB 3.21Å; Y364-M368 PolarHBondContact O-N 3.29Å; Y364-V433 HydrophobicContact CD1-CG2 4.45Å; Y364-V433 HydrophobicContact CE1-CG2 3.86Å; Y364-D436 PolarHBondContact OH-OD2 3.43Å; Y364-F437 HydrophobicContact CD1-CE1 4.33Å
365I85.4Confident82.5Confident53 Ų5355.7 Ų55.727%0.27232%0.315SS..Hα-helixtrans-56.9-51.1178.2-67.3164.6000111.1A361 I363 F367 M368 L369 V433 F437A361-I365 WeakPolarHBondContact O-CB 3.4Å; A361-I365 WeakPolarHBondContact O-CD1 3.48Å; A361-I365 WeakPolarHBondContact O-CG1 3.12Å; A361-I365 PolarHBondContact O-N 3.37Å; I363-I365 PolarHBondContact O-N 3.37Å; I365-F367 PolarHBondContact O-N 3.04Å; I365-M368 PolarHBondContact O-N 3.44Å; I365-L369 HydrophobicContact CG2-CD1 3.43Å; I365-L369 VanDerWaalsContact CG2-CD1 3.43Å; I365-L369 HydrophobicContact CG2-CG 4.43Å; I365-L369 WeakPolarHBondContact O-CB 3.29Å; I365-L369 WeakPolarHBondContact O-CD1 3.31Å; I365-L369 WeakPolarHBondContact O-CG 3.35Å; I365-L369 PolarHBondContact O-N 3.38Å; I365-V433 HydrophobicContact CG1-CG1 3.77Å; I365-F437 HydrophobicContact CD1-CE2 3.76Å; I365-F437 HydrophobicContact CD1-CZ 3.72Å; I365-F437 HydrophobicContact CG1-CE2 4Å; I365-F437 HydrophobicContact CG1-CZ 3.66Å
366C87.9Confident83.2Confident93 Ų9349.9 Ų49.963%0.62829%0.285SS*.Hα-helixtrans-61.9-43.7-179.4-77.50000112.1A362 I363 Y364 G370A362-C366 WeakPolarHBondContact O-CB 2.96Å; A362-C366 PolarHBondContact O-N 3.48Å; A362-C366 PolarHBondContact O-SG 3.25Å; A362-C366 VanDerWaalsContact O-SG 3.41Å; I363-C366 PolarHBondContact O-N 2.94Å; Y364-C366 PolarHBondContact O-N 3.32Å; C366-G370 WeakPolarHBondContact O-CA 3.29Å; C366-G370 PolarHBondContact O-N 2.91Å
367F86.4Confident83.6Confident60 Ų6049.1 Ų49.126%0.26328%0.275SS..Hα-helixtrans-64.1-44177.2177.5-103.5000111.4V298 F345 I363 Y364 I365 S371V298-F367 HydrophobicContact CG2-CE1 3.99Å; F345-F367 AromaticContact CD1-CD1 3.65Å; F345-F367 HydrophobicContact CD1-CD1 3.65Å; F345-F367 HydrophobicContact CD1-CD2 4.08Å; F345-F367 AromaticContact CD1-CE1 3.65Å; F345-F367 HydrophobicContact CD1-CE1 3.65Å; F345-F367 HydrophobicContact CD1-CE2 4.08Å; F345-F367 AromaticContact CD1-CG 3.87Å; F345-F367 HydrophobicContact CD1-CG 3.87Å; F345-F367 AromaticContact CD1-CZ 3.87Å; F345-F367 HydrophobicContact CD1-CZ 3.87Å; F345-F367 HydrophobicContact CE1-CD1 4.06Å; F345-F367 AromaticContact CE1-CD2 3.6Å; F345-F367 HydrophobicContact CE1-CD2 3.6Å; F345-F367 HydrophobicContact CE1-CE1 4.01Å; F345-F367 AromaticContact CE1-CE2 3.56Å; F345-F367 HydrophobicContact CE1-CE2 3.56Å; F345-F367 AromaticContact CE1-CG 3.85Å; F345-F367 HydrophobicContact CE1-CG 3.85Å; F345-F367 AromaticContact CE1-CZ 3.77Å; F345-F367 HydrophobicContact CE1-CZ 3.77Å; F345-F367 HydrophobicContact CG-CD1 4.45Å; F345-F367 HydrophobicContact CG-CE1 4.1Å; F345-F367 HydrophobicContact CG-CZ 4.35Å; F345-F367 HydrophobicContact CZ-CD2 4.4Å; F345-F367 AromaticContact CZ-CE2 3.97Å; F345-F367 HydrophobicContact CZ-CE2 3.97Å; F345-F367 HydrophobicContact CZ-CZ 4.15Å; I363-F367 VanDerWaalsContact O-CB 3.26Å; I363-F367 WeakPolarHBondContact O-CB 3.34Å; I363-F367 PolarHBondContact O-N 3.08Å; Y364-F367 PolarHBondContact O-N 3.47Å; I365-F367 PolarHBondContact O-N 3.04Å; F367-S371 WeakPolarHBondContact O-CB 3.15Å; F367-S371 PolarHBondContact O-N 2.7Å; F367-S371 PolarHBondContact O-OG 3.43Å
368M84.1Confident84Confident4 Ų447.9 Ų47.92%0.0227%0.27CS..Hα-helixtrans-68.3-46.3-175.9-15751-92.700111.3Q294 Y364 I365 S371 C372 V433Q294-M368 HydrophobicContact CB-CE 4.37Å; Q294-M368 VanDerWaalsContact CD-SD 3.53Å; Q294-M368 HydrophobicContact CG-CE 3.45Å; Q294-M368 VanDerWaalsContact CG-CE 3.45Å; Q294-M368 VanDerWaalsContact NE2-CE 3.26Å; Q294-M368 PolarHBondContact NE2-SD 2.83Å; Y364-M368 HydrophobicContact CE1-CG 4.5Å; Y364-M368 WeakPolarHBondContact O-CB 3.21Å; Y364-M368 PolarHBondContact O-N 3.29Å; I365-M368 PolarHBondContact O-N 3.44Å; M368-S371 PolarHBondContact O-OG 3.22Å; M368-C372 WeakPolarHBondContact CE-SG 3.4Å; M368-C372 WeakPolarHBondContact O-CB 3.49Å; M368-C372 PolarHBondContact O-N 3.49Å; M368-C372 VanDerWaalsContact O-N 3.11Å; M368-C372 PolarHBondContact O-SG 3.11Å; M368-V433 HydrophobicContact CB-CG2 3.87Å; M368-V433 HydrophobicContact CG-CG2 3.68Å
369L87.8Confident84Confident41 Ų4145.7 Ų45.722%0.21525%0.251CS..Hα-helixtrans-65.4-45.2174.4-70.3159.8000112.1I365 A373 L426I365-L369 HydrophobicContact CG2-CD1 3.43Å; I365-L369 VanDerWaalsContact CG2-CD1 3.43Å; I365-L369 HydrophobicContact CG2-CG 4.43Å; I365-L369 WeakPolarHBondContact O-CB 3.29Å; I365-L369 WeakPolarHBondContact O-CD1 3.31Å; I365-L369 WeakPolarHBondContact O-CG 3.35Å; I365-L369 PolarHBondContact O-N 3.38Å; L369-A373 VanDerWaalsContact O-CB 3.31Å; L369-A373 WeakPolarHBondContact O-CB 3.47Å; L369-A373 PolarHBondContact O-N 2.68Å; L369-L426 HydrophobicContact CD2-CD2 3.76Å; L369-L426 HydrophobicContact CD2-CG 3.78Å; L369-L426 WeakPolarHBondContact CD2-O 3.16Å
370G88.2Confident84Confident41 Ų4140.5 Ų40.542%0.42323%0.225SC..Hα-helixtrans-64.5-46.5-178.200000112.5C366 A373 F374C366-G370 WeakPolarHBondContact O-CA 3.29Å; C366-G370 PolarHBondContact O-N 2.91Å; G370-A373 PolarHBondContact O-N 2.86Å; G370-F374 VanDerWaalsContact O-CB 3.29Å; G370-F374 WeakPolarHBondContact O-CB 3.48Å; G370-F374 PolarHBondContact O-N 3.12Å
371S86Confident84Confident16 Ų1647.3 Ų47.311%0.11226%0.257CS..Hα-helixtrans-66-44.617858.50000112Q294 F367 M368 A373 F374 F375Q294-S371 WeakPolarHBondContact CG-OG 3.4Å; F367-S371 WeakPolarHBondContact O-CB 3.15Å; F367-S371 PolarHBondContact O-N 2.7Å; F367-S371 PolarHBondContact O-OG 3.43Å; M368-S371 PolarHBondContact O-OG 3.22Å; S371-A373 PolarHBondContact O-N 2.91Å; S371-F374 PolarHBondContact O-N 2.58Å; S371-F375 WeakPolarHBondContact O-CB 3.29Å; S371-F375 WeakPolarHBondContact O-CD2 3.46Å; S371-F375 PolarHBondContact O-N 2.83Å
372C83.1Confident83.8Confident1 Ų150.4 Ų50.41%0.00728%0.275CS..Hα-helixtrans-61.8-42.1175.7-80.40000112.8M368 S376 G425M368-C372 WeakPolarHBondContact CE-SG 3.4Å; M368-C372 WeakPolarHBondContact O-CB 3.49Å; M368-C372 PolarHBondContact O-N 3.49Å; M368-C372 VanDerWaalsContact O-N 3.11Å; M368-C372 PolarHBondContact O-SG 3.11Å; C372-S376 WeakPolarHBondContact O-CB 3.38Å; C372-S376 PolarHBondContact O-N 3.32Å; C372-G425 WeakPolarHBondContact CB-O 3.25Å
373A84.9Confident83.1Confident20 Ų2050.1 Ų50.117%0.16527%0.27CS..Hα-helixtrans-66.7-39.9176.900000112.1L369 G370 S371 K377L369-A373 VanDerWaalsContact O-CB 3.31Å; L369-A373 WeakPolarHBondContact O-CB 3.47Å; L369-A373 PolarHBondContact O-N 2.68Å; G370-A373 PolarHBondContact O-N 2.86Å; S371-A373 PolarHBondContact O-N 2.91Å; A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.16Å
374F87.2Confident82.4Confident128 Ų12848 Ų4856%0.56127%0.266SS*.Hα-helixtrans-64.9-51.8176.5179.7-99.3000111.7G370 S371 S376 K377 T378G370-F374 VanDerWaalsContact O-CB 3.29Å; G370-F374 WeakPolarHBondContact O-CB 3.48Å; G370-F374 PolarHBondContact O-N 3.12Å; S371-F374 PolarHBondContact O-N 2.58Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.04Å; F374-K377 PolarHBondContact O-N 2.75Å; F374-T378 HydrophobicContact CD1-CG2 4.4Å; F374-T378 HydrophobicContact CE1-CG2 3.97Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.85Å; F374-T378 PolarHBondContact O-N 3.48Å; F374-T378 PolarHBondContact O-OG1 3.21Å
375F83.9Confident82.1Confident44 Ų4449.5 Ų49.519%0.19328%0.277CS..Hα-helixtrans-62.5-36.5178.1-77.7-56.1000112.5P290 Q294 L297 S371 T378 W379P290-F375 HydrophobicContact CB-CB 4.15Å; Q294-F375 HydrophobicContact CB-CD2 4.03Å; Q294-F375 HydrophobicContact CB-CE2 4.32Å; Q294-F375 HydrophobicContact CG-CD2 4.43Å; Q294-F375 HydrophobicContact CG-CE2 4.5Å; L297-F375 HydrophobicContact CD1-CE2 4.28Å; L297-F375 HydrophobicContact CD1-CZ 3.73Å; S371-F375 WeakPolarHBondContact O-CB 3.29Å; S371-F375 WeakPolarHBondContact O-CD2 3.46Å; S371-F375 PolarHBondContact O-N 2.83Å; F375-T378 WeakPolarHBondContact CA-OG1 3.17Å; F375-T378 PolarHBondContact O-OG1 3.49Å; F375-T378 VanDerWaalsContact O-OG1 3.14Å; F375-W379 WeakPolarHBondContact O-CB 3.41Å; F375-W379 PolarHBondContact O-N 2.92Å
376S83.4Confident81.9Confident0 Ų048 Ų480%027%0.272CS..Hα-helixtrans-61.9-44.7174.9-173.10000111.5T286 C372 F374 W379 I380 A421T286-S376 PolarHBondContact OG1-OG 2.89Å; C372-S376 WeakPolarHBondContact O-CB 3.38Å; C372-S376 PolarHBondContact O-N 3.32Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.04Å; S376-W379 PolarHBondContact O-N 2.84Å; S376-I380 WeakPolarHBondContact O-CG1 3.43Å; S376-I380 PolarHBondContact O-N 3.49Å; S376-A421 WeakPolarHBondContact CB-O 3.38Å; S376-A421 PolarHBondContact OG-O 3.42Å
377K82.3Confident81.6Confident114 Ų11443.9 Ų43.950%0.49624%0.244SC..Hα-helixtrans-64.8-47.6178.6-77-175.6179-179.20112.6A373 F374 W379 I380 A422A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.16Å; F374-K377 PolarHBondContact O-N 2.75Å; K377-W379 VanDerWaalsContact C-N 3.26Å; K377-W379 PolarHBondContact O-N 3.18Å; K377-I380 PolarHBondContact O-N 2.9Å; K377-A422 HydrophobicContact CD-CB 4.45Å; K377-A422 VanDerWaalsContact CE-CB 3.41Å; K377-A422 HydrophobicContact CG-CB 4.25Å
378T83Confident81.5Confident46 Ų4648.4 Ų48.428%0.28226%0.264SS..Hα-helixtrans-65.4-34.5-179.655.50000111.4F374 F375 I380 E381 V382F374-T378 HydrophobicContact CD1-CG2 4.4Å; F374-T378 HydrophobicContact CE1-CG2 3.97Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.85Å; F374-T378 PolarHBondContact O-N 3.48Å; F374-T378 PolarHBondContact O-OG1 3.21Å; F375-T378 WeakPolarHBondContact CA-OG1 3.17Å; F375-T378 PolarHBondContact O-OG1 3.49Å; F375-T378 VanDerWaalsContact O-OG1 3.14Å; T378-I380 VanDerWaalsContact C-N 3.35Å; T378-I380 PolarHBondContact O-N 2.9Å; T378-E381 PolarHBondContact O-N 3.04Å; T378-V382 WeakPolarHBondContact O-CG2 3.24Å; T378-V382 PolarHBondContact O-N 2.9Å
379W80.8Confident81.4Confident35 Ų3551.1 Ų51.113%0.13328%0.278CS..Hα-helixtrans-63.2-37.2178.6-169.3-103.1000113.3I289 L293 F375 S376 K377 E381 V382 S383I289-W379 HydrophobicContact CB-CD2 4.5Å; I289-W379 HydrophobicContact CB-CZ2 4.36Å; I289-W379 HydrophobicContact CD1-CZ2 3.66Å; I289-W379 HydrophobicContact CG2-CD2 3.84Å; I289-W379 HydrophobicContact CG2-CE3 4.11Å; I289-W379 HydrophobicContact CG2-CH2 3.86Å; I289-W379 HydrophobicContact CG2-CZ2 3.59Å; I289-W379 HydrophobicContact CG2-CZ3 4.11Å; L293-W379 HydrophobicContact CD1-CD2 4.39Å; L293-W379 HydrophobicContact CD1-CE3 3.6Å; L293-W379 HydrophobicContact CD1-CZ3 3.84Å; F375-W379 WeakPolarHBondContact O-CB 3.41Å; F375-W379 PolarHBondContact O-N 2.92Å; S376-W379 PolarHBondContact O-N 2.84Å; K377-W379 VanDerWaalsContact C-N 3.26Å; K377-W379 PolarHBondContact O-N 3.18Å; W379-E381 PolarHBondContact O-N 2.59Å; W379-V382 PolarHBondContact O-N 3.34Å; W379-S383 VanDerWaalsContact O-CB 3.26Å; W379-S383 WeakPolarHBondContact O-CB 3.48Å; W379-S383 PolarHBondContact O-N 3.45Å; W379-S383 PolarHBondContact O-OG 3.35Å
380I81.3Confident81.1Confident11 Ų1149.3 Ų49.36%0.05627%0.269CS..Hα-helixtrans-58.4-37.9177.6-62.3161.9000111.9Y285 T286 S376 K377 T378 S385 S386 I417 A421Y285-I380 HydrophobicContact CD1-CG1 4.42Å; T286-I380 HydrophobicContact CG2-CD1 4.26Å; T286-I380 HydrophobicContact CG2-CG1 3.39Å; S376-I380 WeakPolarHBondContact O-CG1 3.43Å; S376-I380 PolarHBondContact O-N 3.49Å; K377-I380 PolarHBondContact O-N 2.9Å; T378-I380 VanDerWaalsContact C-N 3.35Å; T378-I380 PolarHBondContact O-N 2.9Å; I380-S385 PolarHBondContact O-N 3.12Å; I380-S386 PolarHBondContact O-N 2.8Å; I380-I417 HydrophobicContact CG2-CG2 4.14Å; I380-A421 HydrophobicContact CD1-CB 3.03Å; I380-A421 HydrophobicContact CG1-CB 3.83Å
381E78.4Confident80.8Confident152 Ų15247.9 Ų47.971%0.7125%0.253SS*.Hα-helixtrans-73.1-39.3-179.5-62.1-175.9170.400111.1T378 W379T378-E381 PolarHBondContact O-N 3.04Å; W379-E381 PolarHBondContact O-N 2.59Å
382V73.9Confident80.7Confident68 Ų6853.3 Ų53.341%0.41227%0.274SS..Hα-helixtrans-74.5-36.9179.2176.70000112T378 W379 G384T378-V382 WeakPolarHBondContact O-CG2 3.24Å; T378-V382 PolarHBondContact O-N 2.9Å; W379-V382 PolarHBondContact O-N 3.34Å; V382-G384 PolarHBondContact O-N 3.49Å
383S68.1Low80.7Confident46 Ų4658 Ų5832%0.32230%0.296SS..THydrogen-bonded Turntrans-76.8-1.7-17775.20000113.7W379 S385W379-S383 VanDerWaalsContact O-CB 3.26Å; W379-S383 WeakPolarHBondContact O-CB 3.48Å; W379-S383 PolarHBondContact O-N 3.45Å; W379-S383 PolarHBondContact O-OG 3.35Å; S383-S385 PolarHBondContact O-N 3.46Å; S383-S385 PolarHBondContact O-OG 2.94Å; S383-S385 VanDerWaalsContact OG-CB 3.22Å; S383-S385 WeakPolarHBondContact OG-CB 3.43Å; S383-S385 PolarHBondContact OG-N 3.09Å; S383-S385 PolarHBondContact OG-OG 2.58Å
384G71.9Confident80.5Confident26 Ų2657.5 Ų57.527%0.26829%0.291SS..THydrogen-bonded Turntrans60.125.1-173.800000112.5V382 S386 D389V382-G384 PolarHBondContact O-N 3.49Å; G384-S386 VanDerWaalsContact C-N 3.35Å; G384-D389 WeakPolarHBondContact CA-OD2 3.29Å; G384-D389 WeakPolarHBondContact O-CB 3.41Å
385S76.4Confident80.3Confident40 Ų4056.5 Ų56.528%0.2829%0.286SS..  trans-10217.7177.7-48.20000111.4Y285 I380 S383Y285-S385 WeakPolarHBondContact CE1-O 3.28Å; Y285-S385 PolarHBondContact OH-O 3.2Å; I380-S385 PolarHBondContact O-N 3.12Å; S383-S385 PolarHBondContact O-N 3.46Å; S383-S385 PolarHBondContact O-OG 2.94Å; S383-S385 VanDerWaalsContact OG-CB 3.22Å; S383-S385 WeakPolarHBondContact OG-CB 3.43Å; S383-S385 PolarHBondContact OG-N 3.09Å; S383-S385 PolarHBondContact OG-OG 2.58Å
386S81.7Confident80.3Confident23 Ų2360.7 Ų60.716%0.16131%0.306CS..SBendtrans-64.3156176.9830000111I380 G384 K388 D389 V390I380-S386 PolarHBondContact O-N 2.8Å; G384-S386 VanDerWaalsContact C-N 3.35Å; S386-K388 PolarHBondContact O-N 2.9Å; S386-D389 WeakPolarHBondContact CB-OD2 3.29Å; S386-D389 PolarHBondContact O-N 2.95Å; S386-D389 PolarHBondContact OG-N 3.25Å; S386-D389 PolarHBondContact OG-OD2 3.35Å; S386-V390 WeakPolarHBondContact O-CG2 3.31Å; S386-V390 PolarHBondContact O-N 2.84Å
387A81.3Confident80.1Confident5 Ų567 Ų674%0.04134%0.336CS..Hα-helixtrans-55.8-29.7179.200000113.1A391 L413 N414 I417A387-A391 WeakPolarHBondContact O-CB 3.28Å; A387-A391 PolarHBondContact O-N 2.96Å; A387-A391 VanDerWaalsContact O-N 3.14Å; A387-L413 HydrophobicContact CB-CB 4.04Å; A387-N414 HydrophobicContact CB-CB 3.9Å; A387-I417 HydrophobicContact CB-CD1 4Å
388K83.1Confident79.9Confident156 Ų15666.9 Ų66.968%0.67834%0.337SS*.Hα-helixtrans-73.7-43.7176.4-66.2-179.9-177.7174.20111.8S386 A391 K392 V410S386-K388 PolarHBondContact O-N 2.9Å; K388-A391 PolarHBondContact O-N 2.92Å; K388-K392 WeakPolarHBondContact O-CB 3.3Å; K388-K392 PolarHBondContact O-N 2.87Å; K388-V410 HydrophobicContact CG-CG1 4.26Å
389D82.4Confident79.7Confident60 Ų6065.9 Ų65.932%0.32133%0.329SS..Hα-helixtrans-69.5-42.5-178.5-58.5-41000111.2G384 S386 A391 K392 Q393G384-D389 WeakPolarHBondContact CA-OD2 3.29Å; G384-D389 WeakPolarHBondContact O-CB 3.41Å; S386-D389 WeakPolarHBondContact CB-OD2 3.29Å; S386-D389 PolarHBondContact O-N 2.95Å; S386-D389 PolarHBondContact OG-N 3.25Å; S386-D389 PolarHBondContact OG-OD2 3.35Å; D389-A391 PolarHBondContact O-N 3.29Å; D389-K392 WeakPolarHBondContact O-CB 3.38Å; D389-K392 PolarHBondContact O-N 3.22Å; D389-Q393 WeakPolarHBondContact O-CG 3.24Å; D389-Q393 PolarHBondContact O-N 2.86Å
390V81.6Confident79.4Confident4 Ų466 Ų662%0.02433%0.334CS..Hα-helixtrans-63.1-43174.7176.20000111Y279 Y285 S386 K392 Q393 L394 L413 I417Y279-V390 HydrophobicContact CE1-CG1 4.45Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.29Å; S386-V390 WeakPolarHBondContact O-CG2 3.31Å; S386-V390 PolarHBondContact O-N 2.84Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.43Å; V390-Q393 PolarHBondContact O-N 3.41Å; V390-L394 HydrophobicContact CG1-CD1 4.08Å; V390-L394 HydrophobicContact CG1-CG 4.42Å; V390-L394 WeakPolarHBondContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CG 3.45Å; V390-L394 PolarHBondContact O-N 3.4Å; V390-L413 HydrophobicContact CG1-CD1 4.42Å; V390-I417 HydrophobicContact CB-CD1 4.47Å; V390-I417 HydrophobicContact CG2-CD1 4.43Å
391A82.3Confident79Confident10 Ų1065.9 Ų65.98%0.08333%0.333CS..Hα-helixtrans-62.4-38.1175.200000112.1A387 K388 D389 K395 M409 V410 L413A387-A391 WeakPolarHBondContact O-CB 3.28Å; A387-A391 PolarHBondContact O-N 2.96Å; A387-A391 VanDerWaalsContact O-N 3.14Å; K388-A391 PolarHBondContact O-N 2.92Å; D389-A391 PolarHBondContact O-N 3.29Å; A391-K395 VanDerWaalsContact O-CB 3.31Å; A391-K395 WeakPolarHBondContact O-CB 3.25Å; A391-K395 PolarHBondContact O-N 2.6Å; A391-M409 HydrophobicContact CB-SD 4.48Å; A391-V410 HydrophobicContact CB-CG2 3.61Å; A391-L413 HydrophobicContact CB-CD1 3.94Å
392K84Confident78.5Confident130 Ų13067.5 Ų67.557%0.56533%0.333SS*.Hα-helixtrans-64.9-44175.1-169-173.7179.4-161.40111.4K388 D389 V390 K395 E396K388-K392 WeakPolarHBondContact O-CB 3.3Å; K388-K392 PolarHBondContact O-N 2.87Å; D389-K392 WeakPolarHBondContact O-CB 3.38Å; D389-K392 PolarHBondContact O-N 3.22Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.43Å; K392-K395 WeakPolarHBondContact O-CB 3.34Å; K392-K395 PolarHBondContact O-N 2.92Å; K392-E396 WeakPolarHBondContact CE-OE1 3.4Å; K392-E396 IonicContact NZ-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.36Å; K392-E396 PolarHBondContact O-N 3.33Å
393Q81.9Confident78.2Confident100 Ų10068 Ų6847%0.46735%0.352SS..Hα-helixtrans-62-45.7175.6-72.7177.65.700112.1D389 V390 K395 E396 Q397D389-Q393 WeakPolarHBondContact O-CG 3.24Å; D389-Q393 PolarHBondContact O-N 2.86Å; V390-Q393 PolarHBondContact O-N 3.41Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.28Å; Q393-E396 PolarHBondContact O-N 3.06Å; Q393-Q397 WeakPolarHBondContact O-CG 3.27Å; Q393-Q397 PolarHBondContact O-N 3.02Å
394L82.1Confident78.3Confident10 Ų1069.5 Ų69.55%0.05235%0.354CS..Hα-helixtrans-61-37.8175.8-72.5172.1000111.5I267 V390 Q397 Q398 M399 M409 L413I267-L394 HydrophobicContact CD1-CD1 3.94Å; I267-L394 HydrophobicContact CD1-CD2 3.89Å; V390-L394 HydrophobicContact CG1-CD1 4.08Å; V390-L394 HydrophobicContact CG1-CG 4.42Å; V390-L394 WeakPolarHBondContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CG 3.45Å; V390-L394 PolarHBondContact O-N 3.4Å; L394-Q397 CarbonylContact O-C 3.5Å; L394-Q397 PolarHBondContact O-N 3.34Å; L394-Q398 PolarHBondContact O-N 3.12Å; L394-Q398 VanDerWaalsContact O-N 3.16Å; L394-M399 HydrophobicContact CB-CB 4.44Å; L394-M399 HydrophobicContact CD2-CB 4.11Å; L394-M399 PolarHBondContact O-N 3.17Å; L394-M409 HydrophobicContact CB-SD 4.28Å; L394-M409 HydrophobicContact CD1-SD 4.07Å; L394-L413 HydrophobicContact CD1-CD1 4.22Å
395K82.1Confident78.1Confident107 Ų10778.3 Ų78.347%0.46538%0.379SS..Hα-helixtrans-65.4-45.7174.9178.7172.4179.6154.70112.5A391 K392 Q393 Q397 Q398 E406A391-K395 VanDerWaalsContact O-CB 3.31Å; A391-K395 WeakPolarHBondContact O-CB 3.25Å; A391-K395 PolarHBondContact O-N 2.6Å; K392-K395 WeakPolarHBondContact O-CB 3.34Å; K392-K395 PolarHBondContact O-N 2.92Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.28Å; K395-Q397 PolarHBondContact O-N 2.92Å; K395-Q398 PolarHBondContact O-N 3.23Å; K395-Q398 PolarHBondContact O-NE2 3.07Å; K395-Q398 VanDerWaalsContact O-NE2 3.13Å; K395-E406 IonicContact NZ-OE2 3.46Å; K395-E406 PolarHBondContact NZ-OE2 3.37Å
396E84.4Confident77.4Confident132 Ų13281.7 Ų81.762%0.61739%0.39SS*.Hα-helixtrans-60.2-34.8175.2-74.5173.3-168.800111.3K392 Q393 Q398K392-E396 WeakPolarHBondContact CE-OE1 3.4Å; K392-E396 IonicContact NZ-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.36Å; K392-E396 PolarHBondContact O-N 3.33Å; Q393-E396 PolarHBondContact O-N 3.06Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 3.44Å
397Q79.4Confident76.9Confident133 Ų13386.1 Ų86.162%0.62142%0.417SS*.THydrogen-bonded Turntrans-79.41.2173.7-67179.3-2.500114.5Q393 L394 K395 M399Q393-Q397 WeakPolarHBondContact O-CG 3.27Å; Q393-Q397 PolarHBondContact O-N 3.02Å; L394-Q397 CarbonylContact O-C 3.5Å; L394-Q397 PolarHBondContact O-N 3.34Å; K395-Q397 PolarHBondContact O-N 2.92Å; Q397-M399 VanDerWaalsContact C-N 3.26Å; Q397-M399 HydrophobicContact CB-CG 4Å; Q397-M399 PolarHBondContact O-N 3.06Å
398Q77.9Confident76.7Confident110 Ų11088.1 Ų88.151%0.51443%0.43SS..THydrogen-bonded Turntrans57.237.3-177.7-61.8-69.5-62.700113.4A270 L394 K395 E396A270-Q398 WeakPolarHBondContact CB-O 3.48Å; A270-Q398 PolarHBondContact N-O 3.27Å; L394-Q398 PolarHBondContact O-N 3.12Å; L394-Q398 VanDerWaalsContact O-N 3.16Å; K395-Q398 PolarHBondContact O-N 3.23Å; K395-Q398 PolarHBondContact O-NE2 3.07Å; K395-Q398 VanDerWaalsContact O-NE2 3.13Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 3.44Å
399M78.8Confident76.4Confident26 Ų2681.3 Ų81.313%0.12840%0.401CS..EExtended strand (participates in β ladder)trans-103.3130.6178.4-66.3-66.5-8100109.6I267 N277 L394 Q397I267-M399 HydrophobicContact CB-CE 4.31Å; I267-M399 HydrophobicContact CG2-CB 3.74Å; I267-M399 HydrophobicContact CG2-CE 3.86Å; N277-M399 HydrophobicContact CB-CE 4.15Å; L394-M399 HydrophobicContact CB-CB 4.44Å; L394-M399 HydrophobicContact CD2-CB 4.11Å; L394-M399 PolarHBondContact O-N 3.17Å; Q397-M399 VanDerWaalsContact C-N 3.26Å; Q397-M399 HydrophobicContact CB-CG 4Å; Q397-M399 PolarHBondContact O-N 3.06Å
400V75.3Confident76.3Confident36 Ų3680.8 Ų80.822%0.21840%0.4CS..EExtended strand (participates in β ladder)trans-127139.8-175.1-173.30000110.4I267 K268 A270I267-V400 WeakPolarHBondContact CG2-O 3.4Å; K268-V400 HydrophobicContact CG-CB 4.46Å; K268-V400 WeakPolarHBondContact CG-O 3.34Å; K268-V400 PolarHBondContact N-O 3.06Å; K268-V400 PolarHBondContact O-N 3.39Å; A270-V400 HydrophobicContact CB-CG2 4.01Å
401M71.6Confident76.5Confident9 Ų987.3 Ų87.34%0.04443%0.43CS..EExtended strand (participates in β ladder)trans-74.5145.5178.6-144.3172.2-157.700110.9L265 G403 H404 M409 E412L265-M401 HydrophobicContact CB-CE 3.69Å; L265-M401 HydrophobicContact CD1-CE 3.6Å; L265-M401 HydrophobicContact CD2-CE 3.74Å; L265-M401 HydrophobicContact CG-CE 3.87Å; M401-G403 PolarHBondContact O-N 3.17Å; M401-H404 HydrophobicContact CB-CB 4.43Å; M401-M409 HydrophobicContact CB-CE 4.33Å; M401-M409 HydrophobicContact CB-CG 4.25Å; M401-M409 HydrophobicContact SD-CG 4.15Å; M401-E412 HydrophobicContact CE-CG 4.28Å; M401-E412 HydrophobicContact SD-CB 4.28Å; M401-E412 HydrophobicContact SD-CG 4.34Å; M401-E412 VanDerWaalsContact SD-OE2 3.37Å
402R67.2Low76.5Confident186 Ų18689.1 Ų89.170%0.70244%0.436SS*.THydrogen-bonded Turntrans-65.3125.2-179.1-174.5-179.3176.8-178.9-1.2110.5H404R402-H404 VanDerWaalsContact C-N 3.27Å; R402-H404 PolarHBondContact O-N 2.92Å; R402-H404 PolarHBondContact O-ND1 3.5Å
403G67.9Low76.4Confident80 Ų8083 Ų8383%0.82541%0.41SS*.THydrogen-bonded Turntrans81.9-8172.200000115.9M401M401-G403 PolarHBondContact O-N 3.17Å
404H70.3Confident76.6Confident77 Ų7782.7 Ų82.736%0.35641%0.411SS..  trans-111.1141.2-175.5-72.8108.4000112.4M401 R402 E412M401-H404 HydrophobicContact CB-CB 4.43Å; R402-H404 VanDerWaalsContact C-N 3.27Å; R402-H404 PolarHBondContact O-N 2.92Å; R402-H404 PolarHBondContact O-ND1 3.5Å; H404-E412 IonicContact CE1-OE1 3.71Å; H404-E412 IonicContact CE1-OE2 2.93Å; H404-E412 PolarHBondContact CE1-OE2 2.95Å; H404-E412 IonicContact CG-OE2 3.58Å; H404-E412 IonicContact ND1-OE2 2.84Å; H404-E412 PolarHBondContact ND1-OE2 3.38Å; H404-E412 IonicContact NE2-OE2 3.34Å
405R67.5Low76.7Confident210 Ų21090.5 Ų90.579%0.79244%0.44SS*.  trans-73.9162.7167.9-69.3-176.4179.6177.70.4109.7T407 S408 M409R405-T407 VanDerWaalsContact C-N 3.25Å; R405-T407 PolarHBondContact O-N 3.37Å; R405-T407 VanDerWaalsContact O-N 3.16Å; R405-S408 WeakPolarHBondContact O-CA 3.39Å; R405-S408 WeakPolarHBondContact O-CB 3.46Å; R405-S408 PolarHBondContact O-N 3.49Å; R405-M409 PolarHBondContact O-N 3.06Å
406E63.3Low76.9Confident112 Ų11289 Ų8952%0.52343%0.432SS..Hα-helixtrans-51.9-40.9-176.2-62.5-171.8-179.600113.5K395 S408 M409K395-E406 IonicContact NZ-OE2 3.46Å; K395-E406 PolarHBondContact NZ-OE2 3.37Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-M409 WeakPolarHBondContact O-CB 3.4Å; E406-M409 PolarHBondContact O-N 3.32Å
407T70.6Confident77Confident116 Ų11682.7 Ų82.771%0.71240%0.403SS*.Hα-helixtrans-68.9-33.117850.40000112.7R405 H411R405-T407 VanDerWaalsContact C-N 3.25Å; R405-T407 PolarHBondContact O-N 3.37Å; R405-T407 VanDerWaalsContact O-N 3.16Å; T407-H411 PolarHBondContact O-N 3.31Å
408S76.1Confident77.2Confident46 Ų4678.4 Ų78.432%0.32239%0.386SS..Hα-helixtrans-73-29.8176.9-54.50000112.3R405 E406 V410 H411 E412R405-S408 WeakPolarHBondContact O-CA 3.39Å; R405-S408 WeakPolarHBondContact O-CB 3.46Å; R405-S408 PolarHBondContact O-N 3.49Å; E406-S408 VanDerWaalsContact C-N 3.34Å; S408-V410 VanDerWaalsContact C-N 3.35Å; S408-V410 PolarHBondContact O-N 3.3Å; S408-H411 PolarHBondContact O-N 3.27Å; S408-E412 PolarHBondContact O-N 3.41Å
409M76.6Confident77.6Confident13 Ų1377.2 Ų77.26%0.06439%0.387CS..Hα-helixtrans-59.7-45.1173.8-175.4-164.4-58.200111.4A391 L394 M401 R405 E406 H411 E412 L413A391-M409 HydrophobicContact CB-SD 4.48Å; L394-M409 HydrophobicContact CB-SD 4.28Å; L394-M409 HydrophobicContact CD1-SD 4.07Å; M401-M409 HydrophobicContact CB-CE 4.33Å; M401-M409 HydrophobicContact CB-CG 4.25Å; M401-M409 HydrophobicContact SD-CG 4.15Å; R405-M409 PolarHBondContact O-N 3.06Å; E406-M409 WeakPolarHBondContact O-CB 3.4Å; E406-M409 PolarHBondContact O-N 3.32Å; M409-H411 VanDerWaalsContact C-N 3.29Å; M409-H411 PolarHBondContact O-N 3.43Å; M409-E412 PolarHBondContact O-N 3.13Å; M409-L413 HydrophobicContact CG-CD1 3.89Å; M409-L413 HydrophobicContact CG-CG 4.41Å; M409-L413 WeakPolarHBondContact O-CB 3.5Å; M409-L413 WeakPolarHBondContact O-CG 3.49Å; M409-L413 PolarHBondContact O-N 3.33Å; M409-L413 HydrophobicContact SD-CD1 4.29Å
410V81.6Confident77.8Confident49 Ų4976.7 Ų76.730%0.29739%0.387SS..Hα-helixtrans-61.4-41.7177.3-179.60000110.5K388 A391 S408 N414K388-V410 HydrophobicContact CG-CG1 4.26Å; A391-V410 HydrophobicContact CB-CG2 3.61Å; S408-V410 VanDerWaalsContact C-N 3.35Å; S408-V410 PolarHBondContact O-N 3.3Å; V410-N414 WeakPolarHBondContact O-CB 3.42Å; V410-N414 PolarHBondContact O-N 2.87Å
411H84.7Confident78.2Confident142 Ų14275 Ų7566%0.65738%0.376SS*.Hα-helixtrans-64.6-42.9179.6-170.874.8000112.1T407 S408 M409 N414 R415T407-H411 PolarHBondContact O-N 3.31Å; S408-H411 PolarHBondContact O-N 3.27Å; M409-H411 VanDerWaalsContact C-N 3.29Å; M409-H411 PolarHBondContact O-N 3.43Å; H411-N414 PolarHBondContact O-N 2.61Å; H411-R415 PolarHBondContact O-N 2.89Å; H411-R415 VanDerWaalsContact O-N 3.11Å
412E82.3Confident78.8Confident47 Ų4775.5 Ų75.522%0.2238%0.382CS..Hα-helixtrans-69.6-43179.3-163.6157.8-153.800111.7M401 H404 S408 M409 N414 R415 Y416M401-E412 HydrophobicContact CE-CG 4.28Å; M401-E412 HydrophobicContact SD-CB 4.28Å; M401-E412 HydrophobicContact SD-CG 4.34Å; M401-E412 VanDerWaalsContact SD-OE2 3.37Å; H404-E412 IonicContact CE1-OE1 3.71Å; H404-E412 IonicContact CE1-OE2 2.93Å; H404-E412 PolarHBondContact CE1-OE2 2.95Å; H404-E412 IonicContact CG-OE2 3.58Å; H404-E412 IonicContact ND1-OE2 2.84Å; H404-E412 PolarHBondContact ND1-OE2 3.38Å; H404-E412 IonicContact NE2-OE2 3.34Å; S408-E412 PolarHBondContact O-N 3.41Å; M409-E412 PolarHBondContact O-N 3.13Å; E412-N414 VanDerWaalsContact C-N 3.3Å; E412-N414 PolarHBondContact O-N 3.41Å; E412-R415 WeakPolarHBondContact O-CB 3.04Å; E412-R415 PolarHBondContact O-N 3.26Å; E412-R415 VanDerWaalsContact O-N 3.11Å; E412-Y416 HydrophobicContact CG-CD2 4.24Å; E412-Y416 HydrophobicContact CG-CE2 3.83Å; E412-Y416 WeakPolarHBondContact O-CD2 3.36Å; E412-Y416 PolarHBondContact O-N 3.14Å
413L82.8Confident79.7Confident2 Ų272 Ų721%0.0137%0.372CS..Hα-helixtrans-60.5-39.3171.9-73.5171.2000112L265 I281 A387 V390 A391 L394 M409 R415 Y416 I417L265-L413 HydrophobicContact CD1-CD2 4.02Å; I281-L413 HydrophobicContact CD1-CD2 4.22Å; A387-L413 HydrophobicContact CB-CB 4.04Å; V390-L413 HydrophobicContact CG1-CD1 4.42Å; A391-L413 HydrophobicContact CB-CD1 3.94Å; L394-L413 HydrophobicContact CD1-CD1 4.22Å; M409-L413 HydrophobicContact CG-CD1 3.89Å; M409-L413 HydrophobicContact CG-CG 4.41Å; M409-L413 WeakPolarHBondContact O-CB 3.5Å; M409-L413 WeakPolarHBondContact O-CG 3.49Å; M409-L413 PolarHBondContact O-N 3.33Å; M409-L413 HydrophobicContact SD-CD1 4.29Å; L413-R415 PolarHBondContact O-N 2.86Å; L413-Y416 PolarHBondContact O-N 3.39Å; L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.12Å; L413-I417 WeakPolarHBondContact O-CB 3.42Å; L413-I417 WeakPolarHBondContact O-CG1 3.26Å; L413-I417 PolarHBondContact O-N 3.41Å
414N86.1Confident80.4Confident93 Ų9368.2 Ų68.250%0.49733%0.333SS..Hα-helixtrans-70.6-17.9177.9-163.141.4000113.1A387 V410 H411 E412 P418A387-N414 HydrophobicContact CB-CB 3.9Å; V410-N414 WeakPolarHBondContact O-CB 3.42Å; V410-N414 PolarHBondContact O-N 2.87Å; H411-N414 PolarHBondContact O-N 2.61Å; E412-N414 VanDerWaalsContact C-N 3.3Å; E412-N414 PolarHBondContact O-N 3.41Å; N414-P418 WeakPolarHBondContact O-CD 3.31Å; N414-P418 WeakPolarHBondContact O-CG 3.4Å
415R85.2Confident81.1Confident175 Ų17564.6 Ų64.666%0.6632%0.317SS*.Hα-helixtrans-77.1-37.7171.5-173.2178.4178.1-178.7-0.8111.7H411 E412 L413 T419H411-R415 PolarHBondContact O-N 2.89Å; H411-R415 VanDerWaalsContact O-N 3.11Å; E412-R415 WeakPolarHBondContact O-CB 3.04Å; E412-R415 PolarHBondContact O-N 3.26Å; E412-R415 VanDerWaalsContact O-N 3.11Å; L413-R415 PolarHBondContact O-N 2.86Å; R415-T419 VanDerWaalsContact O-CG2 3.3Å; R415-T419 WeakPolarHBondContact O-CG2 3.41Å; R415-T419 PolarHBondContact O-OG1 2.97Å
416Y85.6Confident82Confident74 Ų7458.4 Ų58.429%0.2930%0.299SS..Hα-helixtrans-92.3-40.8-175.2-67.9-68.7000114.1V263 L265 E412 L413 T419 A420V263-Y416 HydrophobicContact CG1-CD1 4.39Å; V263-Y416 HydrophobicContact CG1-CE1 4.4Å; L265-Y416 HydrophobicContact CD1-CD2 4.33Å; L265-Y416 HydrophobicContact CD2-CD2 4.09Å; L265-Y416 HydrophobicContact CD2-CE2 3.91Å; E412-Y416 HydrophobicContact CG-CD2 4.24Å; E412-Y416 HydrophobicContact CG-CE2 3.83Å; E412-Y416 WeakPolarHBondContact O-CD2 3.36Å; E412-Y416 PolarHBondContact O-N 3.14Å; L413-Y416 PolarHBondContact O-N 3.39Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.44Å; Y416-T419 PolarHBondContact O-OG1 3.4Å; Y416-A420 WeakPolarHBondContact O-CB 3.47Å; Y416-A420 PolarHBondContact O-N 3.1Å
417I85.2Confident83.1Confident0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-66.9-53.2-171.8-70.5170.1000112.4I281 Y285 I380 A387 V390 L413 T419 A420 A421I281-I417 HydrophobicContact CD1-CG1 4Å; Y285-I417 HydrophobicContact CD1-CG2 4.07Å; Y285-I417 HydrophobicContact CE1-CG2 3.52Å; Y285-I417 HydrophobicContact CE2-CG1 4.24Å; I380-I417 HydrophobicContact CG2-CG2 4.14Å; A387-I417 HydrophobicContact CB-CD1 4Å; V390-I417 HydrophobicContact CB-CD1 4.47Å; V390-I417 HydrophobicContact CG2-CD1 4.43Å; L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.12Å; L413-I417 WeakPolarHBondContact O-CB 3.42Å; L413-I417 WeakPolarHBondContact O-CG1 3.26Å; L413-I417 PolarHBondContact O-N 3.41Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 2.93Å; I417-A420 PolarHBondContact O-N 3.04Å; I417-A421 WeakPolarHBondContact O-CB 2.98Å; I417-A421 PolarHBondContact O-N 3.16Å
418P85.1Confident83.7Confident43 Ų4348.8 Ų48.828%0.27925%0.248SC..Hα-helixtrans-67.6-33-178.5-19.734000112.6N414 A422N414-P418 WeakPolarHBondContact O-CD 3.31Å; N414-P418 WeakPolarHBondContact O-CG 3.4Å; P418-A422 WeakPolarHBondContact O-CB 3.01Å; P418-A422 PolarHBondContact O-N 3.3Å
419T85.8Confident84.1Confident86 Ų8646.7 Ų46.753%0.52823%0.233SC..Hα-helixtrans-71.4-46.3177.352.90000110.9R415 Y416 I417 A421 A422 F423R415-T419 VanDerWaalsContact O-CG2 3.3Å; R415-T419 WeakPolarHBondContact O-CG2 3.41Å; R415-T419 PolarHBondContact O-OG1 2.97Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.44Å; Y416-T419 PolarHBondContact O-OG1 3.4Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 2.93Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 2.9Å; T419-A422 PolarHBondContact O-N 3.23Å; T419-F423 WeakPolarHBondContact O-CB 3.48Å; T419-F423 PolarHBondContact O-N 3.46Å
420A83.8Confident84.6Confident15 Ų1547.4 Ų47.412%0.12424%0.244CC..Hα-helixtrans-59.6-43.5174.700000111.5I281 L283 Y416 I417 G424I281-A420 HydrophobicContact CG2-CB 4.18Å; L283-A420 VanDerWaalsContact O-O 3.1Å; Y416-A420 WeakPolarHBondContact O-CB 3.47Å; Y416-A420 PolarHBondContact O-N 3.1Å; I417-A420 PolarHBondContact O-N 3.04Å; A420-G424 WeakPolarHBondContact O-CA 3.38Å; A420-G424 PolarHBondContact O-N 3.47Å
421A82.4Confident84.8Confident0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-72.8-39.3-179.300000113.9Y285 T286 S376 I380 I417 T419 G425Y285-A421 HydrophobicContact CD1-CB 4.4Å; T286-A421 HydrophobicContact CG2-CB 4.07Å; S376-A421 WeakPolarHBondContact CB-O 3.38Å; S376-A421 PolarHBondContact OG-O 3.42Å; I380-A421 HydrophobicContact CD1-CB 3.03Å; I380-A421 HydrophobicContact CG1-CB 3.83Å; I417-A421 WeakPolarHBondContact O-CB 2.98Å; I417-A421 PolarHBondContact O-N 3.16Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 2.9Å; A421-G425 PolarHBondContact O-N 2.68Å
422A84.9Confident84.7Confident19 Ų1939 Ų3916%0.15720%0.203CC..Hα-helixtrans-65.6-46.6175.900000110.9K377 P418 T419 G425 L426K377-A422 HydrophobicContact CD-CB 4.45Å; K377-A422 VanDerWaalsContact CE-CB 3.41Å; K377-A422 HydrophobicContact CG-CB 4.25Å; P418-A422 WeakPolarHBondContact O-CB 3.01Å; P418-A422 PolarHBondContact O-N 3.3Å; T419-A422 PolarHBondContact O-N 3.23Å; A422-G425 PolarHBondContact O-N 3.27Å; A422-L426 WeakPolarHBondContact O-CB 3.27Å; A422-L426 PolarHBondContact O-N 3.23Å
423F86.6Confident84.8Confident113 Ų11337.2 Ų37.250%0.49620%0.195SC..Hα-helixtrans-69.2-39.9178.8-170.6-98.4000111.5L283 T419 L426 C427L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.16Å; L283-F423 HydrophobicContact CG-CD1 4.49Å; T419-F423 WeakPolarHBondContact O-CB 3.48Å; T419-F423 PolarHBondContact O-N 3.46Å; F423-L426 PolarHBondContact O-N 2.58Å; F423-C427 WeakPolarHBondContact CE1-SG 3.4Å; F423-C427 WeakPolarHBondContact O-CB 3.42Å; F423-C427 PolarHBondContact O-N 3.14Å; F423-C427 PolarHBondContact O-SG 2.85Å; F423-C427 VanDerWaalsContact O-SG 3.37Å
424G83.1Confident84.8Confident1 Ų140.1 Ų40.11%0.0121%0.209CC..Hα-helixtrans-59.4-46.9173.700000112.2L283 A420 L426 C427 I428L283-G424 WeakPolarHBondContact O-CA 3.21Å; A420-G424 WeakPolarHBondContact O-CA 3.38Å; A420-G424 PolarHBondContact O-N 3.47Å; G424-L426 VanDerWaalsContact C-N 3.33Å; G424-L426 PolarHBondContact O-N 3.05Å; G424-C427 PolarHBondContact O-N 3.49Å; G424-I428 VanDerWaalsContact O-CB 3.31Å; G424-I428 WeakPolarHBondContact O-CB 3.46Å; G424-I428 VanDerWaalsContact O-CG1 3.24Å; G424-I428 WeakPolarHBondContact O-CG1 3.38Å; G424-I428 PolarHBondContact O-N 3.24Å
425G83.9Confident84.6Confident1 Ų135.7 Ų35.71%0.0119%0.186CC..Hα-helixtrans-62-38.6174.800000112.9C372 A421 A422 G429C372-G425 WeakPolarHBondContact CB-O 3.25Å; A421-G425 PolarHBondContact O-N 2.68Å; A422-G425 PolarHBondContact O-N 3.27Å; G425-G429 PolarHBondContact O-N 3.47Å
426L87.4Confident84.3Confident80 Ų8028.3 Ų28.342%0.41916%0.159SC..Hα-helixtrans-66.9-47.9175.7-167.3158.1000111.6L369 A422 F423 G424 I428 G429 G430L369-L426 HydrophobicContact CD2-CD2 3.76Å; L369-L426 HydrophobicContact CD2-CG 3.78Å; L369-L426 WeakPolarHBondContact CD2-O 3.16Å; A422-L426 WeakPolarHBondContact O-CB 3.27Å; A422-L426 PolarHBondContact O-N 3.23Å; F423-L426 PolarHBondContact O-N 2.58Å; G424-L426 VanDerWaalsContact C-N 3.33Å; G424-L426 PolarHBondContact O-N 3.05Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.44Å; L426-G429 PolarHBondContact O-N 3.4Å; L426-G430 PolarHBondContact O-N 3.1Å
427C85.9Confident83.8Confident22 Ų2226.8 Ų26.815%0.14915%0.154CC..Hα-helixtrans-58.8-43.8176.3-750000111.7F284 F423 G424 G430 L431F284-C427 HydrophobicContact CE1-CB 4.23Å; F423-C427 WeakPolarHBondContact CE1-SG 3.4Å; F423-C427 WeakPolarHBondContact O-CB 3.42Å; F423-C427 PolarHBondContact O-N 3.14Å; F423-C427 PolarHBondContact O-SG 2.85Å; F423-C427 VanDerWaalsContact O-SG 3.37Å; G424-C427 PolarHBondContact O-N 3.49Å; C427-G430 PolarHBondContact O-N 3.36Å; C427-L431 WeakPolarHBondContact O-CB 3.49Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.35Å; C427-L431 PolarHBondContact O-N 2.94Å
428I83.7Confident83.3Confident4 Ų430.4 Ų30.42%0.02117%0.173CC..Hα-helixtrans-58.4-49.7174.5-79.4177.2000111.4F284 I291 G424 L426 G430 L431 S432 L448F284-I428 HydrophobicContact CB-CD1 4.48Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.45Å; F284-I428 VanDerWaalsContact CD1-CG1 3.45Å; F284-I428 HydrophobicContact CE1-CD1 3.97Å; F284-I428 HydrophobicContact CE1-CG1 3.35Å; F284-I428 HydrophobicContact CG-CD1 4.16Å; F284-I428 HydrophobicContact CG-CG1 4.41Å; F284-I428 HydrophobicContact CZ-CG1 4.18Å; I291-I428 HydrophobicContact CD1-CB 4.36Å; I291-I428 HydrophobicContact CD1-CD1 4.42Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.09Å; G424-I428 VanDerWaalsContact O-CB 3.31Å; G424-I428 WeakPolarHBondContact O-CB 3.46Å; G424-I428 VanDerWaalsContact O-CG1 3.24Å; G424-I428 WeakPolarHBondContact O-CG1 3.38Å; G424-I428 PolarHBondContact O-N 3.24Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.44Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 3.48Å; I428-L431 PolarHBondContact O-N 3.4Å; I428-S432 PolarHBondContact O-N 3Å; I428-L448 HydrophobicContact CG2-CD1 4.33Å; I428-L448 HydrophobicContact CG2-CD2 4.44Å; I428-L448 WeakPolarHBondContact O-CD1 3.33Å
429G83.9Confident82.6Confident1 Ų129.2 Ų29.21%0.0117%0.168CC..Hα-helixtrans-60.5-42.8178.300000111.7G425 L426 S432 V433G425-G429 PolarHBondContact O-N 3.47Å; L426-G429 PolarHBondContact O-N 3.4Å; G429-S432 PolarHBondContact O-N 3.14Å; G429-V433 VanDerWaalsContact O-CG2 3.25Å; G429-V433 WeakPolarHBondContact O-CG2 3.27Å; G429-V433 PolarHBondContact O-N 3.08Å
430G86.9Confident81.9Confident28 Ų2825.7 Ų25.729%0.28915%0.148SC..Hα-helixtrans-63.5-41.2176.300000113.2L426 C427 I428 V433 M434L426-G430 PolarHBondContact O-N 3.1Å; C427-G430 PolarHBondContact O-N 3.36Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 3.48Å; G430-V433 PolarHBondContact O-N 3.48Å; G430-M434 WeakPolarHBondContact O-CB 3.42Å; G430-M434 PolarHBondContact O-N 2.99Å
431L86Confident81.1Confident12 Ų1225.4 Ų25.46%0.06314%0.144CC..Hα-helixtrans-66.1-38.2175.9-73.5170.2000112V254 V255 F258 F284 C427 I428 M434 A435 L448V254-L431 HydrophobicContact CG1-CD2 3.7Å; V255-L431 HydrophobicContact CG2-CD1 4.28Å; F258-L431 HydrophobicContact CB-CD1 4.38Å; F258-L431 HydrophobicContact CD2-CD1 4.06Å; F258-L431 HydrophobicContact CD2-CD2 4.16Å; F258-L431 HydrophobicContact CE2-CD2 4.25Å; F258-L431 HydrophobicContact CG-CD1 4.36Å; F284-L431 HydrophobicContact CZ-CD1 4.34Å; C427-L431 WeakPolarHBondContact O-CB 3.49Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.35Å; C427-L431 PolarHBondContact O-N 2.94Å; I428-L431 PolarHBondContact O-N 3.4Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 3.5Å; L431-A435 WeakPolarHBondContact O-CB 3.36Å; L431-A435 PolarHBondContact O-N 3.13Å; L431-L448 HydrophobicContact CB-CD1 3.69Å
432S82.8Confident80.1Confident3 Ų325.9 Ų25.92%0.02115%0.149CC..Hα-helixtrans-62.6-51.3174.7-170.90000111.3I428 G429 M434 A435 D436 T445I428-S432 PolarHBondContact O-N 3Å; G429-S432 PolarHBondContact O-N 3.14Å; S432-M434 VanDerWaalsContact C-N 3.29Å; S432-M434 PolarHBondContact O-N 3.05Å; S432-A435 WeakPolarHBondContact O-CB 3.38Å; S432-A435 PolarHBondContact O-N 3.28Å; S432-A435 VanDerWaalsContact O-N 3.08Å; S432-D436 VanDerWaalsContact O-CG 3.31Å; S432-D436 PolarHBondContact O-N 2.8Å; S432-D436 VanDerWaalsContact O-OD2 3.12Å; S432-T445 WeakPolarHBondContact OG-CG2 3.44Å; S432-T445 PolarHBondContact OG-N 3.35Å
433V84.1Confident79.5Confident9 Ų926.4 Ų26.46%0.05515%0.152CC..Hα-helixtrans-56.9-44.5177.5166.90000111.1Y364 I365 M368 G429 G430 A435 D436 F437Y364-V433 HydrophobicContact CD1-CG2 4.45Å; Y364-V433 HydrophobicContact CE1-CG2 3.86Å; I365-V433 HydrophobicContact CG1-CG1 3.77Å; M368-V433 HydrophobicContact CB-CG2 3.87Å; M368-V433 HydrophobicContact CG-CG2 3.68Å; G429-V433 VanDerWaalsContact O-CG2 3.25Å; G429-V433 WeakPolarHBondContact O-CG2 3.27Å; G429-V433 PolarHBondContact O-N 3.08Å; G430-V433 PolarHBondContact O-N 3.48Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.27Å; V433-D436 PolarHBondContact O-N 3.23Å; V433-F437 HydrophobicContact CG1-CD2 3.87Å; V433-F437 HydrophobicContact CG1-CE1 4.05Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CG 4.46Å; V433-F437 HydrophobicContact CG1-CZ 3.44Å; V433-F437 VanDerWaalsContact CG1-CZ 3.44Å; V433-F437 VanDerWaalsContact O-CG 3.23Å; V433-F437 WeakPolarHBondContact O-CG 3.45Å; V433-F437 PolarHBondContact O-N 3.38Å
434M83Confident78.8Confident63 Ų6321.1 Ų21.131%0.3113%0.129SC..Hα-helixtrans-62.4-40.6177.4-174.2-177.973.700111.5V254 G430 L431 S432 F437 L438V254-M434 HydrophobicContact CG1-CE 4.33Å; G430-M434 WeakPolarHBondContact O-CB 3.42Å; G430-M434 PolarHBondContact O-N 2.99Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 3.5Å; S432-M434 VanDerWaalsContact C-N 3.29Å; S432-M434 PolarHBondContact O-N 3.05Å; M434-F437 PolarHBondContact O-N 3.09Å; M434-L438 HydrophobicContact CG-CD1 4.08Å; M434-L438 WeakPolarHBondContact O-CB 3.44Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.42Å; M434-L438 PolarHBondContact O-N 2.94Å
435A81.5Confident78.5Confident1 Ų121.8 Ų21.81%0.00813%0.133CC..Hα-helixtrans-67.4-38.7177.200000112.3V251 L431 S432 V433 G439 A440 G444V251-A435 HydrophobicContact CB-CB 4.49Å; V251-A435 HydrophobicContact CG1-CB 3.79Å; V251-A435 HydrophobicContact CG2-CB 3.95Å; L431-A435 WeakPolarHBondContact O-CB 3.36Å; L431-A435 PolarHBondContact O-N 3.13Å; S432-A435 WeakPolarHBondContact O-CB 3.38Å; S432-A435 PolarHBondContact O-N 3.28Å; S432-A435 VanDerWaalsContact O-N 3.08Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.27Å; A435-G439 PolarHBondContact O-N 3.17Å; A435-A440 HydrophobicContact CB-CB 4.32Å; A435-A440 VanDerWaalsContact O-CB 3.29Å; A435-A440 WeakPolarHBondContact O-CB 3.4Å; A435-A440 PolarHBondContact O-N 3Å; A435-G444 VanDerWaalsContact CB-CA 3.48Å
436D77.9Confident78.1Confident19 Ų1921.8 Ų21.810%0.10213%0.133CC..Hα-helixtrans-65.3-44175.3-65.9-37000110.9P347 Y364 S432 V433 L438 G439 G444P347-D436 HydrophobicContact CB-CB 4.33Å; Y364-D436 PolarHBondContact OH-OD2 3.43Å; S432-D436 VanDerWaalsContact O-CG 3.31Å; S432-D436 PolarHBondContact O-N 2.8Å; S432-D436 VanDerWaalsContact O-OD2 3.12Å; V433-D436 PolarHBondContact O-N 3.23Å; D436-L438 PolarHBondContact O-N 2.66Å; D436-G439 PolarHBondContact O-N 3.33Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.43Å; D436-G444 PolarHBondContact OD1-N 3.27Å
437F76.1Confident77.7Confident42 Ų4218 Ų1818%0.18411%0.113CC..Hα-helixtrans-66.5-33.1177.9-67.2-12.2000114.2P348 V354 Y364 I365 V433 M434 G439P348-F437 HydrophobicContact CG-CD1 3.88Å; P348-F437 HydrophobicContact CG-CE1 3.42Å; P348-F437 VanDerWaalsContact CG-CE1 3.42Å; P348-F437 HydrophobicContact CG-CZ 4.49Å; V354-F437 HydrophobicContact CG2-CD1 4.06Å; V354-F437 HydrophobicContact CG2-CE1 4.1Å; Y364-F437 HydrophobicContact CD1-CE1 4.33Å; I365-F437 HydrophobicContact CD1-CE2 3.76Å; I365-F437 HydrophobicContact CD1-CZ 3.72Å; I365-F437 HydrophobicContact CG1-CE2 4Å; I365-F437 HydrophobicContact CG1-CZ 3.66Å; V433-F437 HydrophobicContact CG1-CD2 3.87Å; V433-F437 HydrophobicContact CG1-CE1 4.05Å; V433-F437 HydrophobicContact CG1-CE2 3.32Å; V433-F437 HydrophobicContact CG1-CG 4.46Å; V433-F437 HydrophobicContact CG1-CZ 3.44Å; V433-F437 VanDerWaalsContact CG1-CZ 3.44Å; V433-F437 VanDerWaalsContact O-CG 3.23Å; V433-F437 WeakPolarHBondContact O-CG 3.45Å; V433-F437 PolarHBondContact O-N 3.38Å; M434-F437 PolarHBondContact O-N 3.09Å; F437-G439 PolarHBondContact O-N 3.23Å
438L74.9Confident77.5Confident76 Ų7617.1 Ų17.140%0.39811%0.107SC..THydrogen-bonded Turntrans-75.8-4.5174.9-69.7171000112.5A247 F250 V251 M434 D436A247-L438 HydrophobicContact CB-CB 3.93Å; F250-L438 HydrophobicContact CD1-CD1 4.32Å; V251-L438 HydrophobicContact CG2-CD1 4.01Å; M434-L438 HydrophobicContact CG-CD1 4.08Å; M434-L438 WeakPolarHBondContact O-CB 3.44Å; M434-L438 VanDerWaalsContact O-CG 3.24Å; M434-L438 WeakPolarHBondContact O-CG 3.42Å; M434-L438 PolarHBondContact O-N 2.94Å; D436-L438 PolarHBondContact O-N 2.66Å
439G70.9Confident77.4Confident18 Ų1817 Ų1719%0.18611%0.107CC..THydrogen-bonded Turntrans69.432.5-179.500000113N244 A435 D436 F437N244-G439 WeakPolarHBondContact CB-O 3.46Å; N244-G439 PolarHBondContact ND2-O 3.15Å; A435-G439 PolarHBondContact O-N 3.17Å; D436-G439 PolarHBondContact O-N 3.33Å; F437-G439 PolarHBondContact O-N 3.23Å
440A71.1Confident77.3Confident12 Ų1217.2 Ų17.210%0.09911%0.108CC..  trans-60.2139.3-17600000112.1A435 G442 I447A435-A440 HydrophobicContact CB-CB 4.32Å; A435-A440 VanDerWaalsContact O-CB 3.29Å; A435-A440 WeakPolarHBondContact O-CB 3.4Å; A435-A440 PolarHBondContact O-N 3Å; A440-G442 PolarHBondContact O-N 3.47Å; A440-I447 HydrophobicContact CB-CD1 3.43Å; A440-I447 VanDerWaalsContact CB-CD1 3.43Å
441I66.7Low77.2Confident9 Ų916.1 Ų16.15%0.04610%0.096CC..THydrogen-bonded Turntrans-70.1117.9-177.4-56.1179.6000109.9K194 P240 N244 L245 T248 I447K194-I441 HydrophobicContact CB-CG2 3.51Å; K194-I441 HydrophobicContact CD-CG2 3.45Å; K194-I441 VanDerWaalsContact CD-CG2 3.45Å; K194-I441 HydrophobicContact CG-CG2 4.1Å; P240-I441 HydrophobicContact CB-CD1 4.35Å; N244-I441 HydrophobicContact CB-CD1 4.13Å; N244-I441 HydrophobicContact CB-CG1 3.64Å; L245-I441 HydrophobicContact CB-CD1 3.86Å; T248-I441 PolarHBondContact OG1-N 3.38Å; I441-I447 VanDerWaalsContact O-CD1 3.32Å; I441-I447 WeakPolarHBondContact O-CD1 3.4Å
442G60.1Low77Confident10 Ų1015.5 Ų15.510%0.1039%0.093CC..THydrogen-bonded Turntrans108.917.3173.200000116.2A440A440-G442 PolarHBondContact O-N 3.47Å
443S72.7Confident77.1Confident31 Ų3115.7 Ų15.722%0.2179%0.093CC..  trans67.9132.6-170.9-170.60000111.8T445 G446 I447S443-T445 PolarHBondContact O-N 3.42Å; S443-T445 PolarHBondContact OG-OG1 3.24Å; S443-G446 PolarHBondContact O-N 3.29Å; S443-I447 WeakPolarHBondContact O-CG1 3.41Å; S443-I447 PolarHBondContact O-N 2.93Å
444G71.3Confident77.2Confident1 Ų118.8 Ų18.81%0.0111%0.109CC..Hα-helixtrans-57.7-38.5179.300000112.4A435 D436 L448A435-G444 VanDerWaalsContact CB-CA 3.48Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.43Å; D436-G444 PolarHBondContact OD1-N 3.27Å; G444-L448 WeakPolarHBondContact O-CB 3.29Å; G444-L448 PolarHBondContact O-N 3.43Å
445T76.8Confident77.2Confident15 Ų1518.7 Ų18.79%0.09211%0.105CC..Hα-helixtrans-60-47.5172.552.90000112.4I291 S432 S443 L448 L449I291-T445 HydrophobicContact CG2-CG2 4.24Å; S432-T445 WeakPolarHBondContact OG-CG2 3.44Å; S432-T445 PolarHBondContact OG-N 3.35Å; S443-T445 PolarHBondContact O-N 3.42Å; S443-T445 PolarHBondContact OG-OG1 3.24Å; T445-L448 PolarHBondContact O-N 2.86Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.45Å; T445-L449 PolarHBondContact O-N 3Å
446G75.8Confident77.1Confident1 Ų121.2 Ų21.21%0.0112%0.117CC..Hα-helixtrans-63.5-48.3-178.100000112I187 S443 L448 L449 A450I187-G446 WeakPolarHBondContact CD1-O 3.48Å; S443-G446 PolarHBondContact O-N 3.29Å; G446-L448 VanDerWaalsContact C-N 3.33Å; G446-L448 PolarHBondContact O-N 3.24Å; G446-L449 WeakPolarHBondContact O-CB 3.4Å; G446-L449 PolarHBondContact O-N 3.27Å; G446-A450 PolarHBondContact O-N 3.33Å
447I79.9Confident77.2Confident2 Ų221.8 Ų21.81%0.0112%0.118CC..Hα-helixtrans-57-49.4178.4-61.1162.9000110I191 T248 V251 A440 I441 S443 L449 A450 V451I191-I447 HydrophobicContact CD1-CG1 4.28Å; T248-I447 HydrophobicContact CG2-CD1 3.99Å; T248-I447 HydrophobicContact CG2-CG1 4.45Å; V251-I447 HydrophobicContact CG1-CG2 4.48Å; A440-I447 HydrophobicContact CB-CD1 3.43Å; A440-I447 VanDerWaalsContact CB-CD1 3.43Å; I441-I447 VanDerWaalsContact O-CD1 3.32Å; I441-I447 WeakPolarHBondContact O-CD1 3.4Å; S443-I447 WeakPolarHBondContact O-CG1 3.41Å; S443-I447 PolarHBondContact O-N 2.93Å; I447-L449 VanDerWaalsContact C-N 3.31Å; I447-L449 PolarHBondContact O-N 2.86Å; I447-A450 PolarHBondContact O-N 3.48Å; I447-A450 VanDerWaalsContact O-N 3.16Å; I447-V451 HydrophobicContact CG2-CG2 4.23Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.36Å; I447-V451 PolarHBondContact O-N 3.2Å
448L81Confident77.5Confident2 Ų225.7 Ų25.71%0.0114%0.135CC..Hα-helixtrans-61.1-41.7-178.2-158.6163.2000111.4V255 I291 I428 L431 G444 T445 G446 V451 T452V255-L448 HydrophobicContact CG1-CG 4.36Å; V255-L448 HydrophobicContact CG2-CG 4.26Å; I291-L448 HydrophobicContact CD1-CD2 3.56Å; I291-L448 HydrophobicContact CD1-CG 4.49Å; I428-L448 HydrophobicContact CG2-CD1 4.33Å; I428-L448 HydrophobicContact CG2-CD2 4.44Å; I428-L448 WeakPolarHBondContact O-CD1 3.33Å; L431-L448 HydrophobicContact CB-CD1 3.69Å; G444-L448 WeakPolarHBondContact O-CB 3.29Å; G444-L448 PolarHBondContact O-N 3.43Å; T445-L448 PolarHBondContact O-N 2.86Å; G446-L448 VanDerWaalsContact C-N 3.33Å; G446-L448 PolarHBondContact O-N 3.24Å; L448-V451 PolarHBondContact O-N 3.32Å; L448-T452 WeakPolarHBondContact O-CB 3.36Å; L448-T452 PolarHBondContact O-N 3.42Å; L448-T452 PolarHBondContact O-OG1 3.26Å; L448-T452 VanDerWaalsContact O-OG1 3.12Å
449L81.2Confident77.7Confident3 Ų325.1 Ų25.12%0.01613%0.13CC..Hα-helixtrans-58.6-49.8173.9-69.5175.7000111.8I187 N288 I291 I292 T445 G446 I447 T452 I453I187-L449 HydrophobicContact CD1-CB 4.45Å; N288-L449 HydrophobicContact CB-CD2 3.61Å; N288-L449 PolarHBondContact ND2-O 2.91Å; I291-L449 HydrophobicContact CB-CD2 4.26Å; I291-L449 HydrophobicContact CD1-CD2 4.25Å; I291-L449 HydrophobicContact CG2-CD2 4.42Å; I292-L449 HydrophobicContact CD1-CD2 4.03Å; I292-L449 HydrophobicContact CG1-CD1 4.05Å; I292-L449 HydrophobicContact CG1-CD2 3.54Å; I292-L449 HydrophobicContact CG1-CG 4.47Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.45Å; T445-L449 PolarHBondContact O-N 3Å; G446-L449 WeakPolarHBondContact O-CB 3.4Å; G446-L449 PolarHBondContact O-N 3.27Å; I447-L449 VanDerWaalsContact C-N 3.31Å; I447-L449 PolarHBondContact O-N 2.86Å; L449-T452 PolarHBondContact O-N 2.67Å; L449-I453 WeakPolarHBondContact O-CB 3.47Å; L449-I453 VanDerWaalsContact O-CD1 3.31Å; L449-I453 WeakPolarHBondContact O-CD1 3.36Å; L449-I453 WeakPolarHBondContact O-CG1 3.33Å; L449-I453 PolarHBondContact O-N 3.11Å
450A83.6Confident78Confident5 Ų527.5 Ų27.54%0.04114%0.138CC..Hα-helixtrans-61.1-46.7-179.600000112I187 G446 I447 T452 I453 I454I187-A450 HydrophobicContact CB-CB 4.1Å; I187-A450 HydrophobicContact CD1-CB 4.34Å; I187-A450 HydrophobicContact CG2-CB 3.79Å; G446-A450 PolarHBondContact O-N 3.33Å; I447-A450 PolarHBondContact O-N 3.48Å; I447-A450 VanDerWaalsContact O-N 3.16Å; A450-T452 PolarHBondContact O-N 3.4Å; A450-I453 PolarHBondContact O-N 2.78Å; A450-I454 WeakPolarHBondContact O-CB 3.17Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.28Å; A450-I454 PolarHBondContact O-N 3.09Å
451V84.7Confident78.4Confident4 Ų430.3 Ų30.32%0.02415%0.148CC..Hα-helixtrans-59.8-50.1178.9179.20000111.2F252 V255 I256 I447 L448 I453 I454 Y455F252-V451 HydrophobicContact CD2-CB 4.44Å; F252-V451 HydrophobicContact CD2-CG2 3.17Å; F252-V451 HydrophobicContact CE2-CB 4.42Å; F252-V451 HydrophobicContact CE2-CG1 4.46Å; F252-V451 HydrophobicContact CE2-CG2 3.45Å; F252-V451 VanDerWaalsContact CE2-CG2 3.45Å; F252-V451 HydrophobicContact CG-CG2 4.02Å; F252-V451 HydrophobicContact CZ-CG2 4.47Å; V255-V451 HydrophobicContact CB-CG1 4.06Å; V255-V451 HydrophobicContact CG1-CB 3.91Å; V255-V451 HydrophobicContact CG1-CG1 3.56Å; I256-V451 HydrophobicContact CG1-CG1 3.73Å; I447-V451 HydrophobicContact CG2-CG2 4.23Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.36Å; I447-V451 PolarHBondContact O-N 3.2Å; L448-V451 PolarHBondContact O-N 3.32Å; V451-I453 VanDerWaalsContact C-N 3.33Å; V451-I453 PolarHBondContact O-N 3.11Å; V451-I454 PolarHBondContact O-N 3.42Å; V451-Y455 WeakPolarHBondContact O-CB 3.27Å; V451-Y455 PolarHBondContact O-N 2.69Å
452T81.7Confident79Confident0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-67.1-36.9-176.9-59.10000111.6Q259 N288 L448 L449 A450 Y455 Q456Q259-T452 PolarHBondContact OE1-OG1 3.37Å; N288-T452 VanDerWaalsContact CG-CG2 3.48Å; N288-T452 VanDerWaalsContact ND2-CB 3.3Å; N288-T452 WeakPolarHBondContact ND2-CB 3.24Å; N288-T452 WeakPolarHBondContact OD1-CB 3.47Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.15Å; N288-T452 PolarHBondContact OD1-OG1 2.68Å; L448-T452 WeakPolarHBondContact O-CB 3.36Å; L448-T452 PolarHBondContact O-N 3.42Å; L448-T452 PolarHBondContact O-OG1 3.26Å; L448-T452 VanDerWaalsContact O-OG1 3.12Å; L449-T452 PolarHBondContact O-N 2.67Å; A450-T452 PolarHBondContact O-N 3.4Å; T452-Y455 PolarHBondContact O-N 2.86Å; T452-Q456 HydrophobicContact CG2-CG 4.42Å; T452-Q456 WeakPolarHBondContact O-CB 3.31Å; T452-Q456 VanDerWaalsContact O-CG 3.24Å; T452-Q456 WeakPolarHBondContact O-CG 3.43Å; T452-Q456 PolarHBondContact O-N 3.35Å
453I83.7Confident79.8Confident6 Ų638.7 Ų38.73%0.03119%0.187CC..Hα-helixtrans-62.2-50.7174.6-70162.9000109.9I183 A184 L449 A450 V451 Y455 Q456 Y457I183-I453 HydrophobicContact CG2-CD1 4.42Å; A184-I453 HydrophobicContact CB-CB 4.17Å; A184-I453 HydrophobicContact CB-CD1 4.34Å; A184-I453 HydrophobicContact CB-CG2 3.81Å; L449-I453 WeakPolarHBondContact O-CB 3.47Å; L449-I453 VanDerWaalsContact O-CD1 3.31Å; L449-I453 WeakPolarHBondContact O-CD1 3.36Å; L449-I453 WeakPolarHBondContact O-CG1 3.33Å; L449-I453 PolarHBondContact O-N 3.11Å; A450-I453 PolarHBondContact O-N 2.78Å; V451-I453 VanDerWaalsContact C-N 3.33Å; V451-I453 PolarHBondContact O-N 3.11Å; I453-Y455 VanDerWaalsContact C-N 3.28Å; I453-Y455 PolarHBondContact O-N 2.87Å; I453-Q456 WeakPolarHBondContact O-CB 3.37Å; I453-Q456 PolarHBondContact O-N 3.37Å; I453-Q456 VanDerWaalsContact O-N 3.16Å; I453-Y457 HydrophobicContact CG2-CD2 3.59Å; I453-Y457 HydrophobicContact CG2-CE2 3.59Å; I453-Y457 WeakPolarHBondContact O-CD2 3.49Å; I453-Y457 PolarHBondContact O-N 3.33Å
454I85.8Confident80Confident75 Ų7539.4 Ų39.439%0.38519%0.186SC..Hα-helixtrans-58.9-41.7179-68.4166.7000110.8A450 V451 Y457 F458A450-I454 WeakPolarHBondContact O-CB 3.17Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.28Å; A450-I454 PolarHBondContact O-N 3.09Å; V451-I454 PolarHBondContact O-N 3.42Å; I454-Y457 WeakPolarHBondContact O-CB 3.45Å; I454-Y457 PolarHBondContact O-N 3.13Å; I454-F458 WeakPolarHBondContact O-CB 3.36Å; I454-F458 PolarHBondContact O-N 3.32Å
455Y83.3Confident80Confident61 Ų6144.5 Ų44.524%0.23921%0.21CC..Hα-helixtrans-65.4-42.2177.3-171.2-85.5000112.4Q259 V451 T452 I453 Y457 F458 E459Q259-Y455 HydrophobicContact CB-CD1 4.31Å; Q259-Y455 HydrophobicContact CB-CD2 4.38Å; Q259-Y455 HydrophobicContact CB-CE1 4.36Å; Q259-Y455 HydrophobicContact CB-CE2 4.42Å; Q259-Y455 HydrophobicContact CB-CG 4.31Å; Q259-Y455 HydrophobicContact CG-CD1 3.21Å; Q259-Y455 HydrophobicContact CG-CD2 4.01Å; Q259-Y455 HydrophobicContact CG-CE1 3.51Å; Q259-Y455 HydrophobicContact CG-CE2 4.26Å; Q259-Y455 HydrophobicContact CG-CG 3.47Å; Q259-Y455 VanDerWaalsContact CG-CG 3.47Å; V451-Y455 WeakPolarHBondContact O-CB 3.27Å; V451-Y455 PolarHBondContact O-N 2.69Å; T452-Y455 PolarHBondContact O-N 2.86Å; I453-Y455 VanDerWaalsContact C-N 3.28Å; I453-Y455 PolarHBondContact O-N 2.87Å; Y455-Y457 VanDerWaalsContact C-N 3.29Å; Y455-Y457 PolarHBondContact O-N 3.39Å; Y455-F458 WeakPolarHBondContact O-CB 3.34Å; Y455-F458 PolarHBondContact O-N 3.21Å; Y455-E459 PolarHBondContact O-N 2.92Å
456Q79.3Confident79.8Confident53 Ų5347 Ų4725%0.24823%0.229CC..Hα-helixtrans-59.4-43.1174-75.5177.8-14.500111.3S287 T452 I453 E459 I460S287-Q456 PolarHBondContact OG-NE2 3.45Å; S287-Q456 VanDerWaalsContact OG-NE2 3.15Å; T452-Q456 HydrophobicContact CG2-CG 4.42Å; T452-Q456 WeakPolarHBondContact O-CB 3.31Å; T452-Q456 VanDerWaalsContact O-CG 3.24Å; T452-Q456 WeakPolarHBondContact O-CG 3.43Å; T452-Q456 PolarHBondContact O-N 3.35Å; I453-Q456 WeakPolarHBondContact O-CB 3.37Å; I453-Q456 PolarHBondContact O-N 3.37Å; I453-Q456 VanDerWaalsContact O-N 3.16Å; Q456-E459 PolarHBondContact O-N 3.12Å; Q456-I460 VanDerWaalsContact O-CG1 3.31Å; Q456-I460 WeakPolarHBondContact O-CG1 3.47Å; Q456-I460 PolarHBondContact O-N 3.48Å
457Y80.3Confident79.3Confident32 Ų3252.4 Ų52.413%0.12525%0.253CS..Hα-helixtrans-61.7-44.9174.2-90-72.6000112.7L175 S177 S180 L181 I453 I454 Y455 E459 I460 F461L175-Y457 HydrophobicContact CB-CD1 4.22Å; L175-Y457 HydrophobicContact CB-CE1 4.1Å; L175-Y457 VanDerWaalsContact O-CE1 3.22Å; L175-Y457 WeakPolarHBondContact O-CE1 3.26Å; L175-Y457 PolarHBondContact O-OH 3.11Å; S177-Y457 PolarHBondContact N-OH 3.02Å; S177-Y457 PolarHBondContact O-OH 2.75Å; S180-Y457 WeakPolarHBondContact OG-CE2 3.07Å; S180-Y457 PolarHBondContact OG-OH 3.46Å; L181-Y457 HydrophobicContact CB-CE2 4.41Å; L181-Y457 HydrophobicContact CD1-CE2 4.2Å; I453-Y457 HydrophobicContact CG2-CD2 3.59Å; I453-Y457 HydrophobicContact CG2-CE2 3.59Å; I453-Y457 WeakPolarHBondContact O-CD2 3.49Å; I453-Y457 PolarHBondContact O-N 3.33Å; I454-Y457 WeakPolarHBondContact O-CB 3.45Å; I454-Y457 PolarHBondContact O-N 3.13Å; Y455-Y457 VanDerWaalsContact C-N 3.29Å; Y455-Y457 PolarHBondContact O-N 3.39Å; Y457-E459 VanDerWaalsContact C-N 3.29Å; Y457-E459 PolarHBondContact O-N 3.27Å; Y457-I460 PolarHBondContact O-N 3.16Å; Y457-F461 VanDerWaalsContact O-CB 3.24Å; Y457-F461 WeakPolarHBondContact O-CB 3.45Å; Y457-F461 PolarHBondContact O-N 2.92Å
458F82.9Confident78.4Confident123 Ų12356.9 Ų56.954%0.53928%0.275SS..Hα-helixtrans-59.7-40.7175.9175.3-101000111.7I454 Y455 F461 V462I454-F458 WeakPolarHBondContact O-CB 3.36Å; I454-F458 PolarHBondContact O-N 3.32Å; Y455-F458 WeakPolarHBondContact O-CB 3.34Å; Y455-F458 PolarHBondContact O-N 3.21Å; F458-F461 WeakPolarHBondContact O-CB 3.21Å; F458-F461 PolarHBondContact O-N 2.81Å; F458-V462 HydrophobicContact CD1-CG2 4.27Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.81Å; F458-V462 HydrophobicContact CE2-CG2 3.89Å; F458-V462 HydrophobicContact CZ-CG2 3.6Å; F458-V462 VanDerWaalsContact O-CG2 3.31Å; F458-V462 WeakPolarHBondContact O-CG2 3.47Å; F458-V462 PolarHBondContact O-N 3.21Å
459E78.5Confident77.2Confident64 Ų6459.1 Ų59.130%0.29930%0.299SS..Hα-helixtrans-69.7-39.9178.6-165.3179.7154.300112.5K282 Y455 Q456 Y457 F461 V462 K463K282-E459 WeakPolarHBondContact CE-OE1 3.22Å; K282-E459 WeakPolarHBondContact CE-OE2 3.48Å; K282-E459 IonicContact NZ-OE1 3.51Å; K282-E459 PolarHBondContact NZ-OE1 3.17Å; K282-E459 IonicContact NZ-OE2 2.58Å; K282-E459 PolarHBondContact NZ-OE2 3.2Å; Y455-E459 PolarHBondContact O-N 2.92Å; Q456-E459 PolarHBondContact O-N 3.12Å; Y457-E459 VanDerWaalsContact C-N 3.29Å; Y457-E459 PolarHBondContact O-N 3.27Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 2.83Å; E459-V462 PolarHBondContact O-N 2.99Å; E459-K463 VanDerWaalsContact O-CB 3.27Å; E459-K463 WeakPolarHBondContact O-CB 3.41Å; E459-K463 PolarHBondContact O-N 2.72Å
460I77.8Confident75.6Confident68 Ų6862.3 Ų62.335%0.34932%0.321SS..Hα-helixtrans-60.3-44.2171.6-67.7165.2000109.7Q456 Y457 K463 E464Q456-I460 VanDerWaalsContact O-CG1 3.31Å; Q456-I460 WeakPolarHBondContact O-CG1 3.47Å; Q456-I460 PolarHBondContact O-N 3.48Å; Y457-I460 PolarHBondContact O-N 3.16Å; I460-K463 PolarHBondContact O-N 3.44Å; I460-E464 HydrophobicContact CG2-CG 4.46Å; I460-E464 PolarHBondContact O-N 3.38Å
461F78.6Confident73.5Confident72 Ų7268.1 Ų68.132%0.31635%0.349SS..Hα-helixtrans-59.5-50178.2-175.3-78000111.5F28 V32 L175 Y457 F458 E459 K463 E464 Q465F28-F461 HydrophobicContact CE1-CD2 4.06Å; F28-F461 HydrophobicContact CE1-CE1 4.16Å; F28-F461 AromaticContact CE1-CE2 3.47Å; F28-F461 HydrophobicContact CE1-CE2 3.47Å; F28-F461 VanDerWaalsContact CE1-CE2 3.47Å; F28-F461 AromaticContact CE1-CZ 3.51Å; F28-F461 HydrophobicContact CE1-CZ 3.51Å; F28-F461 AromaticContact CE2-CD2 3.85Å; F28-F461 HydrophobicContact CE2-CD2 3.85Å; F28-F461 HydrophobicContact CE2-CE2 4.12Å; F28-F461 HydrophobicContact CE2-CG 4.19Å; F28-F461 HydrophobicContact CZ-CB 4.45Å; F28-F461 AromaticContact CZ-CD1 3.88Å; F28-F461 HydrophobicContact CZ-CD1 3.88Å; F28-F461 AromaticContact CZ-CD2 3.18Å; F28-F461 HydrophobicContact CZ-CD2 3.18Å; F28-F461 AromaticContact CZ-CE1 3.79Å; F28-F461 HydrophobicContact CZ-CE1 3.79Å; F28-F461 AromaticContact CZ-CE2 3.09Å; F28-F461 HydrophobicContact CZ-CE2 3.09Å; F28-F461 AromaticContact CZ-CG 3.57Å; F28-F461 HydrophobicContact CZ-CG 3.57Å; F28-F461 AromaticContact CZ-CZ 3.4Å; F28-F461 HydrophobicContact CZ-CZ 3.4Å; V32-F461 HydrophobicContact CG2-CE2 4.16Å; L175-F461 HydrophobicContact CD1-CD2 4.32Å; Y457-F461 VanDerWaalsContact O-CB 3.24Å; Y457-F461 WeakPolarHBondContact O-CB 3.45Å; Y457-F461 PolarHBondContact O-N 2.92Å; F458-F461 WeakPolarHBondContact O-CB 3.21Å; F458-F461 PolarHBondContact O-N 2.81Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 2.83Å; F461-K463 VanDerWaalsContact C-N 3.33Å; F461-K463 PolarHBondContact O-N 3.39Å; F461-E464 PolarHBondContact O-N 2.89Å; F461-Q465 VanDerWaalsContact O-CB 3.28Å; F461-Q465 WeakPolarHBondContact O-CB 3.11Å; F461-Q465 PolarHBondContact O-N 3.27Å
462V80.1Confident71.2Confident65 Ų6569.5 Ų69.539%0.39436%0.364SS..Hα-helixtrans-63.5-40.3177.9170.60000111.1F458 E459 Q465 S466F458-V462 HydrophobicContact CD1-CG2 4.27Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.81Å; F458-V462 HydrophobicContact CE2-CG2 3.89Å; F458-V462 HydrophobicContact CZ-CG2 3.6Å; F458-V462 VanDerWaalsContact O-CG2 3.31Å; F458-V462 WeakPolarHBondContact O-CG2 3.47Å; F458-V462 PolarHBondContact O-N 3.21Å; E459-V462 PolarHBondContact O-N 2.99Å; V462-Q465 PolarHBondContact O-N 2.96Å; V462-S466 WeakPolarHBondContact O-CB 3.4Å; V462-S466 PolarHBondContact O-N 2.95Å; V462-S466 PolarHBondContact O-OG 3.25Å
463K77.9Confident69.1Low129 Ų12973.3 Ų73.356%0.56140%0.396SS*.Hα-helixtrans-65.4-49.8178.6-170.2179.9176.7-174.40111.6E459 I460 F461 Q465 S466 E467E459-K463 VanDerWaalsContact O-CB 3.27Å; E459-K463 WeakPolarHBondContact O-CB 3.41Å; E459-K463 PolarHBondContact O-N 2.72Å; I460-K463 PolarHBondContact O-N 3.44Å; F461-K463 VanDerWaalsContact C-N 3.33Å; F461-K463 PolarHBondContact O-N 3.39Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.46Å; K463-S466 PolarHBondContact O-N 2.86Å; K463-S466 PolarHBondContact O-OG 3.29Å; K463-E467 WeakPolarHBondContact CE-OE1 3.48Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 2.97Å
464E75Confident67Low46 Ų4679.6 Ų79.622%0.21543%0.429CS..Hα-helixtrans-61.5-39.7176.5-73-162.4168.200111.5F28 K31 L175 I460 F461 E467 M468F28-E464 HydrophobicContact CD2-CB 4.01Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.44Å; F28-E464 HydrophobicContact CE2-CB 3.99Å; K31-E464 VanDerWaalsContact NZ-CD 3.35Å; K31-E464 IonicContact NZ-OE1 3.12Å; K31-E464 PolarHBondContact NZ-OE1 2.98Å; K31-E464 IonicContact NZ-OE2 3.31Å; K31-E464 PolarHBondContact NZ-OE2 3.16Å; K31-E464 VanDerWaalsContact NZ-OE2 3.17Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.33Å; I460-E464 HydrophobicContact CG2-CG 4.46Å; I460-E464 PolarHBondContact O-N 3.38Å; F461-E464 PolarHBondContact O-N 2.89Å; E464-E467 PolarHBondContact O-N 3.39Å; E464-M468 WeakPolarHBondContact O-CG 3.44Å; E464-M468 PolarHBondContact O-N 2.97Å
465Q72.8Confident64.7Low108 Ų10882.6 Ų82.651%0.50545%0.445SS..Hα-helixtrans-65.5-38.5175.6-170.4178.2-2.900112.2F461 V462 K463 M468 G469F461-Q465 VanDerWaalsContact O-CB 3.28Å; F461-Q465 WeakPolarHBondContact O-CB 3.11Å; F461-Q465 PolarHBondContact O-N 3.27Å; V462-Q465 PolarHBondContact O-N 2.96Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.46Å; Q465-M468 PolarHBondContact O-N 3.01Å; Q465-G469 PolarHBondContact O-N 3.21Å
466S71.7Confident62.4Low69 Ų6991.8 Ų91.848%0.48349%0.486SS..Hα-helixtrans-67.2-37.9175.974.90000112.3V462 K463 G469 S470V462-S466 WeakPolarHBondContact O-CB 3.4Å; V462-S466 PolarHBondContact O-N 2.95Å; V462-S466 PolarHBondContact O-OG 3.25Å; K463-S466 PolarHBondContact O-N 2.86Å; K463-S466 PolarHBondContact O-OG 3.29Å; S466-G469 PolarHBondContact O-N 2.95Å; S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.49Å
467E66.6Low61.5Low114 Ų11493.7 Ų93.753%0.53350%0.498SS..Hα-helixtrans-65.4-40.8174.6-73.2177.1-171.800110.7K463 E464 M471K463-E467 WeakPolarHBondContact CE-OE1 3.48Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 2.97Å; E464-E467 PolarHBondContact O-N 3.39Å; E467-M471 WeakPolarHBondContact O-CB 3.47Å; E467-M471 PolarHBondContact O-N 2.99Å
468M60.5Low60.5Low96 Ų9696.9 Ų96.947%0.47352%0.518SS..Hα-helixtrans-67.8-40.2173.3-70.7-177.182.400113.1F28 E464 Q465 M471 G472F28-M468 HydrophobicContact CB-CE 4.07Å; F28-M468 HydrophobicContact CB-SD 3.27Å; F28-M468 WeakPolarHBondContact CB-SD 3.36Å; F28-M468 HydrophobicContact CG-SD 4.09Å; E464-M468 WeakPolarHBondContact O-CG 3.44Å; E464-M468 PolarHBondContact O-N 2.97Å; Q465-M468 PolarHBondContact O-N 3.01Å; M468-M471 PolarHBondContact O-N 2.92Å; M468-G472 PolarHBondContact O-N 2.85Å
469G55.5Low59.3Low48 Ų4895.5 Ų95.550%0.49552%0.517SS..Hα-helixtrans-65.8-38.4176.400000112.6Q465 S466 M471 G472 A473Q465-G469 PolarHBondContact O-N 3.21Å; S466-G469 PolarHBondContact O-N 2.95Å; G469-M471 VanDerWaalsContact C-N 3.34Å; G469-G472 PolarHBondContact O-N 3.46Å; G469-A473 PolarHBondContact O-N 3.41Å; G469-A473 VanDerWaalsContact O-N 3.11Å
470S46.9Very low58.2Low70 Ų7097.4 Ų97.449%0.4953%0.529SS..Hα-helixtrans-67.3-33.3172.2-175.90000112.3S466 L474S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.49Å; S470-L474 PolarHBondContact O-N 2.96Å
471M40Very low56.9Low127 Ų12799.2 Ų99.263%0.62654%0.541SS*.Hα-helixtrans-73.7-30.6174.8-125.3162.591.800112.2E467 M468 G469 L474 L475E467-M471 WeakPolarHBondContact O-CB 3.47Å; E467-M471 PolarHBondContact O-N 2.99Å; M468-M471 PolarHBondContact O-N 2.92Å; G469-M471 VanDerWaalsContact C-N 3.34Å; M471-L474 PolarHBondContact O-N 3.18Å; M471-L475 PolarHBondContact O-N 3.19Å
472G37.4Very low55.5Low34 Ų34101 Ų10135%0.35156%0.556SS.*Hα-helixtrans-66-39.5170.800000112.9M468 G469 L474 L475 F476M468-G472 PolarHBondContact O-N 2.85Å; G469-G472 PolarHBondContact O-N 3.46Å; G472-L474 VanDerWaalsContact C-N 3.29Å; G472-L474 PolarHBondContact O-N 3.07Å; G472-L475 PolarHBondContact O-N 3.5Å; G472-F476 WeakPolarHBondContact O-CD2 3.45Å
473A37.4Very low53.7Low79 Ų79103.6 Ų103.665%0.65357%0.567SS**Hα-helixtrans-73.7-16.5176.500000114.3G469G469-A473 PolarHBondContact O-N 3.41Å; G469-A473 VanDerWaalsContact O-N 3.11Å
474L38.8Very low51.9Low139 Ų139101.6 Ų101.673%0.72857%0.568SS**THydrogen-bonded Turntrans-89.4-11.2174.5-86.5160.5000113.3S470 M471 G472S470-L474 PolarHBondContact O-N 2.96Å; M471-L474 PolarHBondContact O-N 3.18Å; G472-L474 VanDerWaalsContact C-N 3.29Å; G472-L474 PolarHBondContact O-N 3.07Å
475L36.9Very low49.9Very low138 Ų138106.3 Ų106.372%0.72360%0.597SS**  trans-110.510.9-177.5-78.7171.3000113.8M471 G472M471-L475 PolarHBondContact O-N 3.19Å; G472-L475 PolarHBondContact O-N 3.5Å
476F34.9Very low47.9Very low253 Ų253106.1 Ų106.1100%1.1161%0.606SS**  trans-123.60171.8-82.7-74.4000112.2G472G472-F476 WeakPolarHBondContact O-CD2 3.45Å

Retrieved 476 of 476 residues in 141.8 ms (Link to these results)

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