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Pre-mRNA-splicing factor RBM22

Required for pre-mRNA splicing as component of the activated spliceosome. Involved in the first step of pre-mRNA splicing. Binds directly to the internal stem-loop (ISL) domain of the U6 snRNA and to the pre-mRNA intron near the 5' splice site during the activation and catalytic phases of the spliceosome cycle. Involved in both translocations of the nuclear SLU7 to the cytoplasm and the cytosolic calcium-binding protein PDCD6 to the nucleus upon cellular stress responses.

AlphaFold DB (Q8BHS3), UniProt , Accession A0A096N735, Species PAPAN (Papio anubis, Olive baboon), Gene RBM22, Length 420 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
1M37.2Very low45.3Very low240 Ų240135.1 Ų135.1100%1.18279%0.792SS**  099.30-68.7-164.2-177.500108T3M1-T3 PolarHBondContact O-N 3.45Å
2A38.8Very low46Very low108 Ų108136.8 Ų136.889%0.89378%0.775SS**  trans-81.2105.1178.400000108.4S4A2-S4 PolarHBondContact O-N 2.94Å
3T43.4Very low46.7Very low129 Ų129139.9 Ų139.979%0.79178%0.779SS**  trans-72.5109.3172.245.90000108.8M1M1-T3 PolarHBondContact O-N 3.45Å
4S43.3Very low47.7Very low107 Ų107136.1 Ų136.175%0.74876%0.757SS**  trans0.1118.1159.642.70000117A2 G6A2-S4 PolarHBondContact O-N 2.94Å; S4-G6 PolarHBondContact O-N 3.36Å
5L46.9Very low49.1Very low176 Ų176137.7 Ų137.792%0.92175%0.746SS**  trans-50.8104.6156-73.6151.1000108.7S7L5-S7 PolarHBondContact O-N 3.32Å
6G45.6Very low50.4Low69 Ų69130.7 Ų130.771%0.71171%0.707SS**  trans-54.9119.5176.700000111.1S4 N8S4-G6 PolarHBondContact O-N 3.36Å; G6-N8 PolarHBondContact O-N 3.46Å
7S46.6Very low52.1Low107 Ų107127.5 Ų127.575%0.74869%0.69SS**SBendtrans-6387.2170.748.50000110.9L5L5-S7 PolarHBondContact O-N 3.32Å
8N44.5Very low53.8Low106 Ų106120.7 Ų120.757%0.56765%0.654SS**  trans-154.983.1155.5-99.4-35.3000108.5G6G6-N8 PolarHBondContact O-N 3.46Å
9T51.2Low55.6Low109 Ų109121.8 Ų121.867%0.66966%0.659SS**  trans-100.610.7-175.544.80000113.5N11T9-N11 PolarHBondContact O-N 3.36Å
10Y47Very low57.4Low218 Ų218122.3 Ų122.386%0.85566%0.655SS**THydrogen-bonded Turntrans-84.2112.6179.7-88.7-95.7000110.4
11N53.6Low59.2Low117 Ų117116.5 Ų116.563%0.62662%0.624SS**THydrogen-bonded Turntrans81.838.1173.9-89.4-28.6000120.2T9 Q13T9-N11 PolarHBondContact O-N 3.36Å; N11-Q13 VanDerWaalsContact C-N 3.28Å; N11-Q13 PolarHBondContact O-N 2.91Å
12R54.2Low61.9Low156 Ų156106.8 Ų106.859%0.58958%0.577SS**THydrogen-bonded Turntrans-76.110.8173.3-93.5-175167.1179.7-3.6116.9W15R12-W15 PolarHBondContact O-NE1 2.9Å
13Q55Low64.6Low177 Ų177102.7 Ų102.783%0.82754%0.54SS*.THydrogen-bonded Turntrans-88.7-4.9-172.2-84.7174.7-2.700116.4N11 W15N11-Q13 VanDerWaalsContact C-N 3.28Å; N11-Q13 PolarHBondContact O-N 2.91Å; Q13-W15 PolarHBondContact O-N 3.45Å
14N61.3Low67Low87 Ų8797.4 Ų97.447%0.46551%0.508SS..  trans-88.395.4169.3-87.330.2000109.9R50N14-R50 PolarHBondContact O-NH2 3.3Å
15W67.6Low69.3Low159 Ų15998.7 Ų98.760%0.60250%0.502SS*.  trans-97.4118.3177.3-76.36000109.6R12 Q13 D17 Y41R12-W15 PolarHBondContact O-NE1 2.9Å; Q13-W15 PolarHBondContact O-N 3.45Å; W15-D17 PolarHBondContact O-N 3.46Å; W15-Y41 HydrophobicContact CB-CD1 4.37Å; W15-Y41 HydrophobicContact CB-CE1 3.44Å; W15-Y41 VanDerWaalsContact CB-CE1 3.44Å; W15-Y41 WeakPolarHBondContact CB-OH 3.17Å; W15-Y41 HydrophobicContact CD2-CE1 4.3Å; W15-Y41 HydrophobicContact CD2-CE2 4.29Å; W15-Y41 HydrophobicContact CE3-CD2 4.28Å; W15-Y41 HydrophobicContact CE3-CE1 4.45Å; W15-Y41 AromaticContact CE3-CE2 3.68Å; W15-Y41 HydrophobicContact CE3-CE2 3.68Å; W15-Y41 AromaticContact CE3-CZ 3.8Å; W15-Y41 HydrophobicContact CG-CD1 4.42Å; W15-Y41 AromaticContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CZ3-CE2 4.35Å
16E71.1Confident71.5Confident26 Ų2691.4 Ų91.412%0.12147%0.465CS..BIsolated β-bridgetrans-79.4108.4-178.3-166.1-168.7103.100110.4T53 Q72 T73E16-T53 PolarHBondContact O-OG1 3.48Å; E16-Q72 WeakPolarHBondContact OE1-CA 3.22Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.38Å; E16-Q72 PolarHBondContact OE1-N 3.4Å; E16-Q72 PolarHBondContact OE2-N 3.24Å; E16-T73 WeakPolarHBondContact OE2-CB 3.4Å; E16-T73 PolarHBondContact OE2-N 3.14Å; E16-T73 PolarHBondContact OE2-OG1 3.15Å
17D78.5Confident73.8Confident76 Ų7688.1 Ų88.141%0.40643%0.431SS..  trans-100106.8168.8-163.5-3.8000109.2W15 K38 K40W15-D17 PolarHBondContact O-N 3.46Å; D17-K38 VanDerWaalsContact OD1-CE 3.26Å; D17-K38 WeakPolarHBondContact OD1-CE 3.18Å; D17-K38 IonicContact OD1-NZ 3.16Å; D17-K38 PolarHBondContact OD1-NZ 2.87Å; D17-K40 IonicContact OD1-NZ 2.84Å; D17-K40 VanDerWaalsContact OD2-CE 3.28Å; D17-K40 WeakPolarHBondContact OD2-CE 3.3Å; D17-K40 IonicContact OD2-NZ 3.5Å; D17-K40 PolarHBondContact OD2-NZ 2.88Å
18A83.2Confident76Confident5 Ų585 Ų854%0.04141%0.406CS..  trans-108.3140.6179.500000109.7K38 F55A18-K38 WeakPolarHBondContact O-CE 3.44Å; A18-K38 PolarHBondContact O-NZ 3.49Å; A18-F55 HydrophobicContact CB-CE2 4.41Å; A18-F55 WeakPolarHBondContact O-CZ 3.5Å
19D88.3Confident78.2Confident142 Ų14280.4 Ų80.476%0.75938%0.384SS*.SBendtrans-85.1-35.8178.4-70.2-37.6000113.5K38 F55D19-K38 IonicContact OD1-NZ 3.45Å; D19-K38 PolarHBondContact OD1-NZ 3.39Å; D19-K38 VanDerWaalsContact OD1-NZ 3.16Å; D19-F55 WeakPolarHBondContact O-CE1 3.47Å
20F91.7Very high80.1Confident131 Ų13180.4 Ų80.458%0.57538%0.376SS*.SBendtrans-138.2138.4179.7-165.8-99.7000111.7
21P94.3Very high82.2Confident2 Ų273.5 Ų73.51%0.01335%0.354CS..  trans-75.3149.1-179.630.7-35.7000112.8L23 M36 F55 T68P21-L23 HydrophobicContact CB-CD1 4.07Å; P21-L23 HydrophobicContact CB-CD2 4.31Å; P21-L23 HydrophobicContact CB-CG 3.9Å; P21-L23 HydrophobicContact CG-CD1 3.57Å; P21-L23 HydrophobicContact CG-CG 3.93Å; P21-L23 PolarHBondContact O-N 2.77Å; P21-M36 HydrophobicContact CG-CE 3.8Å; P21-M36 HydrophobicContact CG-SD 3.64Å; P21-F55 HydrophobicContact CB-CB 4.24Å; P21-F55 HydrophobicContact CB-CD2 3.58Å; P21-F55 HydrophobicContact CB-CE2 4.03Å; P21-F55 HydrophobicContact CB-CG 3.96Å; P21-F55 HydrophobicContact CG-CB 3.97Å; P21-F55 HydrophobicContact CG-CD1 4.23Å; P21-F55 HydrophobicContact CG-CD2 3.93Å; P21-F55 HydrophobicContact CG-CE2 4.43Å; P21-F55 HydrophobicContact CG-CG 3.78Å; P21-T68 HydrophobicContact CB-CG2 3.71Å
22I94.5Very high84Confident35 Ų3573.1 Ų73.118%0.17936%0.358CS..  trans-83105.3172.9-61.4175.6000108.9Q72 S75 K76 Q82 L88I22-Q72 HydrophobicContact CD1-CG 3.42Å; I22-Q72 VanDerWaalsContact CD1-CG 3.42Å; I22-Q72 HydrophobicContact CG1-CG 3.9Å; I22-S75 WeakPolarHBondContact CB-OG 3.45Å; I22-S75 WeakPolarHBondContact CG2-OG 3.26Å; I22-K76 HydrophobicContact CD1-CD 4.44Å; I22-K76 HydrophobicContact CD1-CG 3.6Å; I22-Q82 HydrophobicContact CB-CG 4.26Å; I22-Q82 VanDerWaalsContact N-OE1 3.15Å; I22-Q82 WeakPolarHBondContact O-CB 3.4Å; I22-Q82 PolarHBondContact O-N 2.94Å; I22-L88 HydrophobicContact CG2-CD1 3.33Å; I22-L88 HydrophobicContact CG2-CD2 4.36Å; I22-L88 HydrophobicContact CG2-CG 4.41Å
23L94.8Very high85.8Confident22 Ų2275 Ų7512%0.11537%0.367CS..  trans-130.1157.5-173.9-60175.6000112.1P21 L28 M36 W57 T68 Q82P21-L23 HydrophobicContact CB-CD1 4.07Å; P21-L23 HydrophobicContact CB-CD2 4.31Å; P21-L23 HydrophobicContact CB-CG 3.9Å; P21-L23 HydrophobicContact CG-CD1 3.57Å; P21-L23 HydrophobicContact CG-CG 3.93Å; P21-L23 PolarHBondContact O-N 2.77Å; L23-L28 HydrophobicContact CD1-CD1 4.23Å; L23-M36 HydrophobicContact CD1-CE 4.1Å; L23-W57 HydrophobicContact CD1-CD2 4.43Å; L23-W57 HydrophobicContact CD1-CE3 4.37Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.42Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.42Å; L23-W57 HydrophobicContact CD1-CZ3 3.87Å; L23-W57 HydrophobicContact CD2-CH2 3.43Å; L23-W57 VanDerWaalsContact CD2-CH2 3.43Å; L23-W57 HydrophobicContact CD2-CZ2 3.92Å; L23-W57 HydrophobicContact CD2-CZ3 4.32Å; L23-W57 HydrophobicContact CG-CH2 4.04Å; L23-W57 HydrophobicContact CG-CZ2 4.29Å; L23-T68 HydrophobicContact CD2-CG2 4.45Å; L23-Q82 HydrophobicContact CD2-CB 4.36Å
24C93.5Very high87.6Confident19 Ų1968.9 Ų68.913%0.12834%0.339CS..  trans-98.4159.7171.466.30000111.3T26 C27 L28 C81 L88C24-T26 PolarHBondContact O-N 2.85Å; C24-T26 VanDerWaalsContact O-N 3.15Å; C24-T26 PolarHBondContact SG-OG1 3.45Å; C24-C27 PolarHBondContact O-N 2.92Å; C24-C27 PolarHBondContact SG-SG 3.27Å; C24-L28 PolarHBondContact O-N 2.75Å; C24-C81 HydrophobicContact CB-CB 4.11Å; C24-L88 HydrophobicContact CB-CD2 4.1Å
25Q92.5Very high89.1Confident133 Ų13373.8 Ų73.862%0.62135%0.351SS*.Hα-helixtrans-61.8-31.9-174.5-53.1-43.653.700112.8C27 L28 G29Q25-C27 VanDerWaalsContact C-N 3.33Å; Q25-C27 PolarHBondContact O-N 3.35Å; Q25-L28 PolarHBondContact O-N 3.26Å; Q25-G29 PolarHBondContact O-N 3.12Å; Q25-G29 VanDerWaalsContact O-N 3.12Å
26T93Very high90.4Very high24 Ų2468.8 Ų68.815%0.14734%0.335CS..Hα-helixtrans-64.1-36.3173.868.90000112.9C24 P155 N160C24-T26 PolarHBondContact O-N 2.85Å; C24-T26 VanDerWaalsContact O-N 3.15Å; C24-T26 PolarHBondContact SG-OG1 3.45Å; T26-P155 HydrophobicContact CG2-CB 3.83Å; T26-N160 PolarHBondContact O-ND2 3.24Å; T26-N160 PolarHBondContact O-OD1 3.21Å
27C93.1Very high91.6Very high0 Ų071.5 Ų71.50%035%0.354CS..Hα-helixtrans-82.8-32.3-179.2-68.40000112.3C24 Q25 G29 W57 K66 C84C24-C27 PolarHBondContact O-N 2.92Å; C24-C27 PolarHBondContact SG-SG 3.27Å; Q25-C27 VanDerWaalsContact C-N 3.33Å; Q25-C27 PolarHBondContact O-N 3.35Å; C27-G29 VanDerWaalsContact C-N 3.31Å; C27-W57 HydrophobicContact CB-CZ2 4.38Å; C27-W57 PolarHBondContact O-NE1 3.43Å; C27-K66 PolarHBondContact SG-NZ 3.24Å; C27-C84 VanDerWaalsContact SG-CB 3.52Å
28L93.2Very high92.3Very high40 Ų4071.7 Ų71.721%0.20935%0.351CS..Hα-helixtrans-63.1-43.1176.8-165.460.8000110.1L23 C24 Q25 I34 P59L23-L28 HydrophobicContact CD1-CD1 4.23Å; C24-L28 PolarHBondContact O-N 2.75Å; Q25-L28 PolarHBondContact O-N 3.26Å; L28-I34 HydrophobicContact CB-CD1 4.36Å; L28-I34 HydrophobicContact CD1-CD1 3.31Å; L28-I34 HydrophobicContact CD2-CD1 4.16Å; L28-I34 HydrophobicContact CG-CD1 3.28Å; L28-I34 WeakPolarHBondContact O-CD1 3.34Å; L28-P59 WeakPolarHBondContact O-CA 3.43Å
29G91.4Very high92.8Very high11 Ų1175.7 Ų75.711%0.11337%0.369CS..  trans113.8-176.8172.900000112.9Q25 C27 P59Q25-G29 PolarHBondContact O-N 3.12Å; Q25-G29 VanDerWaalsContact O-N 3.12Å; C27-G29 VanDerWaalsContact C-N 3.31Å; G29-P59 VanDerWaalsContact CA-O 3.3Å; G29-P59 WeakPolarHBondContact CA-O 3.25Å
30E90.6Very high93Very high108 Ų10874.5 Ų74.551%0.50536%0.357SS..SBendtrans-82.1-22-179.268.7-169.1168.100112.7P32 P59 Y157E30-P32 WeakPolarHBondContact O-CD 3.48Å; E30-P59 PolarHBondContact N-O 3.17Å; E30-Y157 HydrophobicContact CB-CD2 4.41Å; E30-Y157 HydrophobicContact CB-CE1 4.29Å; E30-Y157 HydrophobicContact CB-CE2 3.85Å
31N90.3Very high92.8Very high74 Ų7471.9 Ų71.940%0.39634%0.343SS..  trans-83.3122.7-177.6-171.5-9.5000110.5Y33 I34N31-Y33 VanDerWaalsContact CG-O 3.27Å; N31-Y33 PolarHBondContact ND2-O 3.21Å; N31-Y33 PolarHBondContact O-N 2.86Å; N31-Y33 PolarHBondContact OD1-N 3.29Å; N31-Y33 PolarHBondContact OD1-O 2.9Å; N31-I34 WeakPolarHBondContact O-CD1 3.44Å; N31-I34 WeakPolarHBondContact O-CG1 3.5Å
32P91.9Very high92.5Very high109 Ų10973.1 Ų73.171%0.70836%0.357SS*.SBendtrans-67.4-22.9175.126.9-34.5000113.3E30E30-P32 WeakPolarHBondContact O-CD 3.48Å
33Y93Very high92.3Very high195 Ų19574.9 Ų74.977%0.76536%0.363SS*.SBendtrans-104.4107.2-179.4-56.1-73.7000110.9N31N31-Y33 VanDerWaalsContact CG-O 3.27Å; N31-Y33 PolarHBondContact ND2-O 3.21Å; N31-Y33 PolarHBondContact O-N 2.86Å; N31-Y33 PolarHBondContact OD1-N 3.29Å; N31-Y33 PolarHBondContact OD1-O 2.9Å
34I92.4Very high92.2Very high49 Ų4978.9 Ų78.925%0.25138%0.381SS..  trans-117.4131.1-171.2-60.6169.8000110.3L28 N31 W57L28-I34 HydrophobicContact CB-CD1 4.36Å; L28-I34 HydrophobicContact CD1-CD1 3.31Å; L28-I34 HydrophobicContact CD2-CD1 4.16Å; L28-I34 HydrophobicContact CG-CD1 3.28Å; L28-I34 WeakPolarHBondContact O-CD1 3.34Å; N31-I34 WeakPolarHBondContact O-CD1 3.44Å; N31-I34 WeakPolarHBondContact O-CG1 3.5Å; I34-W57 HydrophobicContact CG2-CB 3.76Å; I34-W57 HydrophobicContact CG2-CG 4.12Å
35R93.2Very high92.1Very high190 Ų19078 Ų7872%0.71738%0.376SS*.  trans-93.7121.2168-66.1-172-67.3164.8-2.9109
36M94.2Very high92.1Very high54 Ų5476 Ų7627%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-126.6135.4-177-173.3176.3-71.400110.3P21 L23 F55 R56 W57P21-M36 HydrophobicContact CG-CE 3.8Å; P21-M36 HydrophobicContact CG-SD 3.64Å; L23-M36 HydrophobicContact CD1-CE 4.1Å; M36-F55 HydrophobicContact CG-CB 4.02Å; M36-F55 HydrophobicContact CG-CD1 4.04Å; M36-F55 HydrophobicContact SD-CB 3.64Å; M36-F55 HydrophobicContact SD-CD1 3.49Å; M36-F55 WeakPolarHBondContact SD-CD1 3.27Å; M36-F55 HydrophobicContact SD-CE1 4.41Å; M36-F55 HydrophobicContact SD-CG 3.87Å; M36-R56 CarbonylContact C-O 3.56Å; M36-R56 WeakPolarHBondContact CA-O 3.28Å; M36-W57 HydrophobicContact CB-CB 4.2Å; M36-W57 HydrophobicContact CE-CB 4.07Å; M36-W57 HydrophobicContact CE-CD2 3.8Å; M36-W57 HydrophobicContact CE-CE3 3.72Å; M36-W57 HydrophobicContact CE-CG 3.95Å; M36-W57 HydrophobicContact CE-CZ3 4.42Å; M36-W57 HydrophobicContact CG-CB 4.21Å
37T95.1Very high92Very high83 Ų8375 Ų7551%0.50936%0.358SS..EExtended strand (participates in β ladder)trans-98.3127.8172.859.50000109.5F55 R56T37-F55 WeakPolarHBondContact O-CA 3.49Å; T37-R56 PolarHBondContact N-O 2.93Å; T37-R56 PolarHBondContact O-N 3.11Å; T37-R56 WeakPolarHBondContact OG1-CB 3.36Å; T37-R56 PolarHBondContact OG1-O 2.75Å
38K95.1Very high91.7Very high79 Ų7975 Ų7534%0.34336%0.359SS..EExtended strand (participates in β ladder)trans-96.5120.8173.3178.7174.6169166.50109.1D17 A18 D19 T53 F55D17-K38 VanDerWaalsContact OD1-CE 3.26Å; D17-K38 WeakPolarHBondContact OD1-CE 3.18Å; D17-K38 IonicContact OD1-NZ 3.16Å; D17-K38 PolarHBondContact OD1-NZ 2.87Å; A18-K38 WeakPolarHBondContact O-CE 3.44Å; A18-K38 PolarHBondContact O-NZ 3.49Å; D19-K38 IonicContact OD1-NZ 3.45Å; D19-K38 PolarHBondContact OD1-NZ 3.39Å; D19-K38 VanDerWaalsContact OD1-NZ 3.16Å; K38-T53 HydrophobicContact CD-CG2 4.16Å; K38-T53 HydrophobicContact CG-CG2 3.63Å; K38-F55 HydrophobicContact CB-CD1 4.16Å; K38-F55 HydrophobicContact CB-CE1 3.95Å; K38-F55 HydrophobicContact CD-CE1 4.03Å; K38-F55 HydrophobicContact CD-CZ 4.34Å; K38-F55 HydrophobicContact CG-CD1 4.4Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.31Å
39E93.6Very high91.4Very high90 Ų9075.1 Ų75.142%0.42137%0.365SS..EExtended strand (participates in β ladder)trans-117.9105.3176-174.4-179.3-174.200108.3Y41 V54E39-Y41 PolarHBondContact O-N 2.83Å; E39-V54 HydrophobicContact CB-CB 4.48Å; E39-V54 PolarHBondContact N-O 3.42Å; E39-V54 PolarHBondContact O-N 3.19Å
40K91.5Very high91.1Very high116 Ų11677 Ų7750%0.50437%0.368SS..EExtended strand (participates in β ladder)trans-66.6126.8178.9-62.6-167.4-178.7-168.10109.1D17 G42D17-K40 IonicContact OD1-NZ 2.84Å; D17-K40 VanDerWaalsContact OD2-CE 3.28Å; D17-K40 WeakPolarHBondContact OD2-CE 3.3Å; D17-K40 IonicContact OD2-NZ 3.5Å; D17-K40 PolarHBondContact OD2-NZ 2.88Å; K40-G42 PolarHBondContact O-N 3.23Å
41Y87.7Confident91.2Very high76 Ų7673.9 Ų73.930%0.29836%0.358SS..EExtended strand (participates in β ladder)trans57.728.2178.6-42-60.3000115.6W15 E39 K43 P51 F52W15-Y41 HydrophobicContact CB-CD1 4.37Å; W15-Y41 HydrophobicContact CB-CE1 3.44Å; W15-Y41 VanDerWaalsContact CB-CE1 3.44Å; W15-Y41 WeakPolarHBondContact CB-OH 3.17Å; W15-Y41 HydrophobicContact CD2-CE1 4.3Å; W15-Y41 HydrophobicContact CD2-CE2 4.29Å; W15-Y41 HydrophobicContact CE3-CD2 4.28Å; W15-Y41 HydrophobicContact CE3-CE1 4.45Å; W15-Y41 AromaticContact CE3-CE2 3.68Å; W15-Y41 HydrophobicContact CE3-CE2 3.68Å; W15-Y41 AromaticContact CE3-CZ 3.8Å; W15-Y41 HydrophobicContact CG-CD1 4.42Å; W15-Y41 AromaticContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CZ3-CE2 4.35Å; E39-Y41 PolarHBondContact O-N 2.83Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.12Å; Y41-P51 HydrophobicContact CD1-CB 4.41Å; Y41-F52 VanDerWaalsContact CA-O 3.29Å; Y41-F52 WeakPolarHBondContact CA-O 3.28Å; Y41-F52 PolarHBondContact N-O 2.84Å
42G88Confident91.2Very high29 Ų2970.5 Ų70.530%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-68.2-27.4-175.100000114.9K40 F52K40-G42 PolarHBondContact O-N 3.23Å; G42-F52 PolarHBondContact N-O 3.09Å
43K91.3Very high91.3Very high72 Ų7265.4 Ų65.431%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-145.9156.2-179.2-65.7179.7175.91260111.9Y41 P51 F52 V54 K67Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.12Å; K43-P51 WeakPolarHBondContact O-CA 3.3Å; K43-F52 HydrophobicContact CB-CE1 4.32Å; K43-F52 WeakPolarHBondContact O-CD1 3.11Å; K43-F52 PolarHBondContact O-N 3.29Å; K43-V54 HydrophobicContact CB-CG2 3.59Å; K43-V54 HydrophobicContact CD-CG2 4.3Å; K43-V54 HydrophobicContact CG-CG2 3.87Å; K43-K67 HydrophobicContact CD-CD 4.36Å
44E91.5Very high91.4Very high106 Ų10656.1 Ų56.150%0.49527%0.27SS..EExtended strand (participates in β ladder)trans-76.9144.1164.763.3178.9-164.300111.5R50E44-R50 CarbonylContact C-O 3.5Å; E44-R50 WeakPolarHBondContact CA-O 3.28Å
45C91.9Very high91.6Very high1 Ų154 Ų541%0.00726%0.259CS..  trans-65.9132.8173.7175.50000110.2I47 C48 A49 R50 F52 C71C45-I47 PolarHBondContact O-N 2.92Å; C45-C48 WeakPolarHBondContact CB-SG 3.15Å; C45-A49 VanDerWaalsContact O-CA 3.24Å; C45-A49 WeakPolarHBondContact O-CA 3.08Å; C45-A49 PolarHBondContact O-N 3.28Å; C45-R50 WeakPolarHBondContact CB-O 3.39Å; C45-R50 PolarHBondContact N-O 3.11Å; C45-F52 HydrophobicContact CB-CD1 3.95Å; C45-F52 HydrophobicContact CB-CE1 4.21Å; C45-C71 HydrophobicContact CB-CB 4.12Å; C45-C71 PolarHBondContact SG-N 2.78Å; C45-C71 VanDerWaalsContact SG-N 3.37Å
46K91.5Very high91.7Very high91 Ų9150.1 Ų50.140%0.39625%0.245SC..THydrogen-bonded Turntrans-64.9-12.5-179.5-65.8-60.7178.6-1680115.3E69 I198 K199K46-E69 WeakPolarHBondContact CG-O 3.22Å; K46-E69 PolarHBondContact N-O 3.27Å; K46-I198 HydrophobicContact CB-CG2 4.02Å; K46-K199 WeakPolarHBondContact O-CE 3.31Å
47I90.6Very high91.8Very high2 Ų247.6 Ų47.61%0.0123%0.232CC..THydrogen-bonded Turntrans-100.7-65.4179.8-54.1-51.2000110.6C45 V70 K114 K199 Y202 Y203C45-I47 PolarHBondContact O-N 2.92Å; I47-V70 HydrophobicContact CG1-CG1 3.74Å; I47-K114 VanDerWaalsContact O-CD 3.28Å; I47-K114 WeakPolarHBondContact O-CD 3.44Å; I47-K114 WeakPolarHBondContact O-CE 3.39Å; I47-K114 PolarHBondContact O-NZ 3.24Å; I47-K199 HydrophobicContact CD1-CG 4.46Å; I47-Y202 HydrophobicContact CB-CD1 4.26Å; I47-Y202 HydrophobicContact CB-CE1 4.16Å; I47-Y202 VanDerWaalsContact CD1-CB 3.49Å; I47-Y202 HydrophobicContact CD1-CD1 3.54Å; I47-Y202 HydrophobicContact CD1-CD2 4.2Å; I47-Y202 HydrophobicContact CD1-CE1 4.29Å; I47-Y202 HydrophobicContact CD1-CG 3.47Å; I47-Y202 VanDerWaalsContact CD1-CG 3.47Å; I47-Y202 HydrophobicContact CG1-CD1 3.64Å; I47-Y202 HydrophobicContact CG1-CD2 4Å; I47-Y202 HydrophobicContact CG1-CE1 3.89Å; I47-Y202 HydrophobicContact CG1-CE2 4.25Å; I47-Y202 HydrophobicContact CG1-CG 3.68Å; I47-Y202 HydrophobicContact CG2-CD1 3.61Å; I47-Y202 HydrophobicContact CG2-CE1 3.29Å; I47-Y202 HydrophobicContact CG2-CG 4.5Å; I47-Y203 WeakPolarHBondContact CG2-OH 3.48Å
48C87.1Confident91.7Very high1 Ų145.8 Ų45.81%0.00722%0.222CC..THydrogen-bonded Turntrans-89.6-2.5-173.764.40000114.5C45 R50 C71 T118C45-C48 WeakPolarHBondContact CB-SG 3.15Å; C48-R50 HydrophobicContact CB-CG 4.41Å; C48-R50 PolarHBondContact O-N 2.77Å; C48-C71 VanDerWaalsContact SG-SG 3.68Å; C48-T118 HydrophobicContact CB-CG2 4.01Å
49A87.9Confident91.6Very high41 Ų4142 Ų4234%0.33921%0.206SC..  trans56.316.5-177.300000115C45C45-A49 VanDerWaalsContact O-CA 3.24Å; C45-A49 WeakPolarHBondContact O-CA 3.08Å; C45-A49 PolarHBondContact O-N 3.28Å
50R85.9Confident91.4Very high50 Ų5038.3 Ų38.319%0.18919%0.192CC..  trans-88138.4175.9-66.5176.558.9-173.4-5.8111.2N14 E44 C45 C48 E122N14-R50 PolarHBondContact O-NH2 3.3Å; E44-R50 CarbonylContact C-O 3.5Å; E44-R50 WeakPolarHBondContact CA-O 3.28Å; C45-R50 WeakPolarHBondContact CB-O 3.39Å; C45-R50 PolarHBondContact N-O 3.11Å; C48-R50 HydrophobicContact CB-CG 4.41Å; C48-R50 PolarHBondContact O-N 2.77Å; R50-E122 IonicContact CZ-OE1 3.96Å; R50-E122 IonicContact CZ-OE2 2.66Å; R50-E122 IonicContact NH1-OE1 3.9Å; R50-E122 IonicContact NH1-OE2 2.77Å; R50-E122 PolarHBondContact NH1-OE2 3.41Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.23Å; R50-E122 IonicContact NH2-OE2 3.77Å; R50-E122 PolarHBondContact NH2-OE2 3.16Å
51P90.7Very high91.2Very high44 Ų4438.3 Ų38.329%0.28620%0.201SC..EExtended strand (participates in β ladder)trans-59.6138.2172.1-22.133.3000111.5Y41 K43Y41-P51 HydrophobicContact CD1-CB 4.41Å; K43-P51 WeakPolarHBondContact O-CA 3.3Å
52F92.3Very high91.1Very high2 Ų245.7 Ų45.71%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-144.2167.117975.1-75.4000111.9Y41 G42 K43 C45 V54 T68 V70 C71Y41-F52 VanDerWaalsContact CA-O 3.29Å; Y41-F52 WeakPolarHBondContact CA-O 3.28Å; Y41-F52 PolarHBondContact N-O 2.84Å; G42-F52 PolarHBondContact N-O 3.09Å; K43-F52 HydrophobicContact CB-CE1 4.32Å; K43-F52 WeakPolarHBondContact O-CD1 3.11Å; K43-F52 PolarHBondContact O-N 3.29Å; C45-F52 HydrophobicContact CB-CD1 3.95Å; C45-F52 HydrophobicContact CB-CE1 4.21Å; F52-V54 HydrophobicContact CE1-CG2 4.41Å; F52-V54 HydrophobicContact CE2-CG2 4.34Å; F52-V54 HydrophobicContact CZ-CG2 4.15Å; F52-V54 PolarHBondContact O-N 2.96Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.38Å; F52-V70 WeakPolarHBondContact CE2-O 3.48Å; F52-C71 HydrophobicContact CB-CB 3.59Å; F52-C71 HydrophobicContact CD1-CB 4.37Å; F52-C71 HydrophobicContact CD2-CB 4.15Å; F52-C71 HydrophobicContact CG-CB 3.8Å
53T93Very high91.2Very high2 Ų246.2 Ų46.21%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-69.4117.8176.5-60.40000110.7E16 K38 F55E16-T53 PolarHBondContact O-OG1 3.48Å; K38-T53 HydrophobicContact CD-CG2 4.16Å; K38-T53 HydrophobicContact CG-CG2 3.63Å; T53-F55 HydrophobicContact CG2-CD2 4.33Å; T53-F55 HydrophobicContact CG2-CE1 4.39Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.76Å
54V95.1Very high91.2Very high0 Ų047.3 Ų47.30%023%0.226CC..EExtended strand (participates in β ladder)trans-95.4128.2-179.9-177.60000109.7E39 K43 F52 R56 K67 T68E39-V54 HydrophobicContact CB-CB 4.48Å; E39-V54 PolarHBondContact N-O 3.42Å; E39-V54 PolarHBondContact O-N 3.19Å; K43-V54 HydrophobicContact CB-CG2 3.59Å; K43-V54 HydrophobicContact CD-CG2 4.3Å; K43-V54 HydrophobicContact CG-CG2 3.87Å; F52-V54 HydrophobicContact CE1-CG2 4.41Å; F52-V54 HydrophobicContact CE2-CG2 4.34Å; F52-V54 HydrophobicContact CZ-CG2 4.15Å; F52-V54 PolarHBondContact O-N 2.96Å; V54-R56 HydrophobicContact CG1-CG 4.25Å; V54-K67 HydrophobicContact CG1-CB 4.36Å; V54-T68 WeakPolarHBondContact CA-OG1 3.27Å
55F96.6Very high91.3Very high4 Ų448.2 Ų48.22%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-106.1136172.6-63.5-89000109.3A18 D19 P21 M36 T37 K38 T53 W57 K67 T68A18-F55 HydrophobicContact CB-CE2 4.41Å; A18-F55 WeakPolarHBondContact O-CZ 3.5Å; D19-F55 WeakPolarHBondContact O-CE1 3.47Å; P21-F55 HydrophobicContact CB-CB 4.24Å; P21-F55 HydrophobicContact CB-CD2 3.58Å; P21-F55 HydrophobicContact CB-CE2 4.03Å; P21-F55 HydrophobicContact CB-CG 3.96Å; P21-F55 HydrophobicContact CG-CB 3.97Å; P21-F55 HydrophobicContact CG-CD1 4.23Å; P21-F55 HydrophobicContact CG-CD2 3.93Å; P21-F55 HydrophobicContact CG-CE2 4.43Å; P21-F55 HydrophobicContact CG-CG 3.78Å; M36-F55 HydrophobicContact CG-CB 4.02Å; M36-F55 HydrophobicContact CG-CD1 4.04Å; M36-F55 HydrophobicContact SD-CB 3.64Å; M36-F55 HydrophobicContact SD-CD1 3.49Å; M36-F55 WeakPolarHBondContact SD-CD1 3.27Å; M36-F55 HydrophobicContact SD-CE1 4.41Å; M36-F55 HydrophobicContact SD-CG 3.87Å; T37-F55 WeakPolarHBondContact O-CA 3.49Å; K38-F55 HydrophobicContact CB-CD1 4.16Å; K38-F55 HydrophobicContact CB-CE1 3.95Å; K38-F55 HydrophobicContact CD-CE1 4.03Å; K38-F55 HydrophobicContact CD-CZ 4.34Å; K38-F55 HydrophobicContact CG-CD1 4.4Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.31Å; T53-F55 HydrophobicContact CG2-CD2 4.33Å; T53-F55 HydrophobicContact CG2-CE1 4.39Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.76Å; F55-W57 HydrophobicContact CB-CE3 4.43Å; F55-W57 HydrophobicContact CB-CZ3 4.32Å; F55-K67 CarbonylContact O-C 3.6Å; F55-K67 WeakPolarHBondContact O-CA 3.42Å; F55-T68 HydrophobicContact CB-CG2 4.03Å; F55-T68 HydrophobicContact CD2-CG2 4.13Å; F55-T68 PolarHBondContact N-OG1 3.06Å; F55-T68 PolarHBondContact O-N 2.78Å; F55-T68 VanDerWaalsContact O-N 3.1Å
56R95.7Very high91.4Very high110 Ų11049.1 Ų49.142%0.41523%0.232SC..EExtended strand (participates in β ladder)trans-126.4134.6172.8-51.7175.860.6-148.9-3.5110.5M36 T37 V54 K66 K67M36-R56 CarbonylContact C-O 3.56Å; M36-R56 WeakPolarHBondContact CA-O 3.28Å; T37-R56 PolarHBondContact N-O 2.93Å; T37-R56 PolarHBondContact O-N 3.11Å; T37-R56 WeakPolarHBondContact OG1-CB 3.36Å; T37-R56 PolarHBondContact OG1-O 2.75Å; V54-R56 HydrophobicContact CG1-CG 4.25Å; R56-K66 VanDerWaalsContact CA-O 3.3Å; R56-K66 WeakPolarHBondContact CA-O 3.29Å; R56-K67 HydrophobicContact CG-CB 3.95Å
57W95.7Very high91.6Very high1 Ų147.2 Ų47.20%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-149.4163.5179.969.3103.3000111.3L23 C27 I34 M36 F55 F65 K66 T68 T83L23-W57 HydrophobicContact CD1-CD2 4.43Å; L23-W57 HydrophobicContact CD1-CE3 4.37Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.42Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.42Å; L23-W57 HydrophobicContact CD1-CZ3 3.87Å; L23-W57 HydrophobicContact CD2-CH2 3.43Å; L23-W57 VanDerWaalsContact CD2-CH2 3.43Å; L23-W57 HydrophobicContact CD2-CZ2 3.92Å; L23-W57 HydrophobicContact CD2-CZ3 4.32Å; L23-W57 HydrophobicContact CG-CH2 4.04Å; L23-W57 HydrophobicContact CG-CZ2 4.29Å; C27-W57 HydrophobicContact CB-CZ2 4.38Å; C27-W57 PolarHBondContact O-NE1 3.43Å; I34-W57 HydrophobicContact CG2-CB 3.76Å; I34-W57 HydrophobicContact CG2-CG 4.12Å; M36-W57 HydrophobicContact CB-CB 4.2Å; M36-W57 HydrophobicContact CE-CB 4.07Å; M36-W57 HydrophobicContact CE-CD2 3.8Å; M36-W57 HydrophobicContact CE-CE3 3.72Å; M36-W57 HydrophobicContact CE-CG 3.95Å; M36-W57 HydrophobicContact CE-CZ3 4.42Å; M36-W57 HydrophobicContact CG-CB 4.21Å; F55-W57 HydrophobicContact CB-CE3 4.43Å; F55-W57 HydrophobicContact CB-CZ3 4.32Å; W57-F65 CarbonylContact O-C 3.58Å; W57-F65 WeakPolarHBondContact O-CA 3.4Å; W57-K66 HydrophobicContact CD2-CB 4.33Å; W57-K66 HydrophobicContact CH2-CB 4.15Å; W57-K66 HydrophobicContact CZ2-CB 3.76Å; W57-K66 HydrophobicContact CZ2-CD 4.48Å; W57-K66 PolarHBondContact N-O 3.38Å; W57-K66 VanDerWaalsContact N-O 3.11Å; W57-K66 PolarHBondContact O-N 3.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.19Å; W57-T83 VanDerWaalsContact CH2-OG1 3.26Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.46Å
58C93.4Very high91.8Very high44 Ų4447.1 Ų47.130%0.29722%0.223SC..  trans-104.8115.7171.5-167.90000109.3G60 F65C58-G60 VanDerWaalsContact C-N 3.29Å; C58-G60 PolarHBondContact O-N 3.28Å; C58-G60 PolarHBondContact SG-O 2.85Å; C58-F65 HydrophobicContact CB-CD1 4.09Å; C58-F65 HydrophobicContact CB-CE1 3.82Å; C58-F65 HydrophobicContact CB-CZ 4.12Å
59P92.5Very high92.2Very high1 Ų148.5 Ų48.51%0.00623%0.23CC..  trans-68.7-21.4-176.5-21.131.8000115.3L28 G29 E30 M63 R64 K66 N160L28-P59 WeakPolarHBondContact O-CA 3.43Å; G29-P59 VanDerWaalsContact CA-O 3.3Å; G29-P59 WeakPolarHBondContact CA-O 3.25Å; E30-P59 PolarHBondContact N-O 3.17Å; P59-M63 HydrophobicContact CB-CB 4.49Å; P59-R64 WeakPolarHBondContact CD-O 3.25Å; P59-K66 HydrophobicContact CG-CB 4.37Å; P59-K66 HydrophobicContact CG-CD 3.54Å; P59-K66 HydrophobicContact CG-CG 3.68Å; P59-N160 HydrophobicContact CB-CB 4.28Å; P59-N160 HydrophobicContact CG-CB 4.22Å
60G89.6Confident92.4Very high12 Ų1246.5 Ų46.512%0.12421%0.213CC..SBendtrans178.9-177.1-173.200000112.9C58 M63C58-G60 VanDerWaalsContact C-N 3.29Å; C58-G60 PolarHBondContact O-N 3.28Å; C58-G60 PolarHBondContact SG-O 2.85Å; G60-M63 WeakPolarHBondContact O-CB 3.44Å; G60-M63 PolarHBondContact O-N 3.49Å
61V87.8Confident92.8Very high116 Ų11644.4 Ų44.470%0.70321%0.206SC*.THydrogen-bonded Turntrans-74.3135179.6-173.90000109M63V61-M63 PolarHBondContact O-N 3.09Å
62R85.3Confident92.8Very high231 Ų23144 Ų4487%0.87220%0.2SC*.THydrogen-bonded Turntrans59.723.8-174.6-58.6170.8-176.5-174.5-1.2114.5P162R62-P162 WeakPolarHBondContact O-CD 3.25Å
63M89.3Confident92.6Very high39 Ų3944.3 Ų44.319%0.19220%0.203CC..PPolyproline II helixtrans-99.2155.9174.8-60.4-63.5175.700111.1P59 G60 V61 N160P59-M63 HydrophobicContact CB-CB 4.49Å; G60-M63 WeakPolarHBondContact O-CB 3.44Å; G60-M63 PolarHBondContact O-N 3.49Å; V61-M63 PolarHBondContact O-N 3.09Å; M63-N160 HydrophobicContact CB-CB 4.34Å; M63-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact SD-CB 3.66Å
64R92.1Very high92.5Very high95 Ų9544.2 Ų44.236%0.35820%0.202SC..PPolyproline II helixtrans-76.6142.6172.5156176.8177.1-136-2.6110.2P59 K66 N160 P162 H163P59-R64 WeakPolarHBondContact CD-O 3.25Å; R64-K66 PolarHBondContact O-N 2.78Å; R64-K66 VanDerWaalsContact O-N 3.15Å; R64-N160 PolarHBondContact N-O 2.79Å; R64-P162 HydrophobicContact CB-CB 3.97Å; R64-H163 PolarHBondContact NH1-CE1 3.38Å; R64-H163 PolarHBondContact NH1-NE2 3.05Å
65F93.1Very high92.4Very high125 Ų12544.3 Ų44.355%0.54820%0.202SC..PPolyproline II helixtrans-56.7119165.9-78.4-89.9000110.7W57 C58W57-F65 CarbonylContact O-C 3.58Å; W57-F65 WeakPolarHBondContact O-CA 3.4Å; C58-F65 HydrophobicContact CB-CD1 4.09Å; C58-F65 HydrophobicContact CB-CE1 3.82Å; C58-F65 HydrophobicContact CB-CZ 4.12Å
66K94.2Very high92.1Very high20 Ų2046.1 Ų46.19%0.08721%0.21CC..EExtended strand (participates in β ladder)trans-92.5156.9174.9-62.2-168.984.9170.70109.6C27 R56 W57 P59 R64 T83 N160C27-K66 PolarHBondContact SG-NZ 3.24Å; R56-K66 VanDerWaalsContact CA-O 3.3Å; R56-K66 WeakPolarHBondContact CA-O 3.29Å; W57-K66 HydrophobicContact CD2-CB 4.33Å; W57-K66 HydrophobicContact CH2-CB 4.15Å; W57-K66 HydrophobicContact CZ2-CB 3.76Å; W57-K66 HydrophobicContact CZ2-CD 4.48Å; W57-K66 PolarHBondContact N-O 3.38Å; W57-K66 VanDerWaalsContact N-O 3.11Å; W57-K66 PolarHBondContact O-N 3.38Å; P59-K66 HydrophobicContact CG-CB 4.37Å; P59-K66 HydrophobicContact CG-CD 3.54Å; P59-K66 HydrophobicContact CG-CG 3.68Å; R64-K66 PolarHBondContact O-N 2.78Å; R64-K66 VanDerWaalsContact O-N 3.15Å; K66-T83 HydrophobicContact CB-CG2 4.39Å; K66-N160 WeakPolarHBondContact CD-OD1 3.42Å; K66-N160 PolarHBondContact NZ-OD1 3.28Å
67K94.8Very high91.8Very high51 Ų5141.5 Ų41.522%0.22219%0.194CC..EExtended strand (participates in β ladder)trans-139.8158.6175.864.4177.7-175.4173.70110K43 V54 F55 R56 E69 T83K43-K67 HydrophobicContact CD-CD 4.36Å; V54-K67 HydrophobicContact CG1-CB 4.36Å; F55-K67 CarbonylContact O-C 3.6Å; F55-K67 WeakPolarHBondContact O-CA 3.42Å; R56-K67 HydrophobicContact CG-CB 3.95Å; K67-E69 VanDerWaalsContact CE-CD 3.41Å; K67-E69 WeakPolarHBondContact CE-OE1 3.45Å; K67-E69 VanDerWaalsContact CE-OE2 3.27Å; K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 WeakPolarHBondContact CG-OE1 3.09Å; K67-E69 IonicContact NZ-OE1 3.67Å; K67-E69 IonicContact NZ-OE2 2.93Å; K67-T83 WeakPolarHBondContact O-CB 3.32Å; K67-T83 WeakPolarHBondContact O-CG2 3.28Å; K67-T83 PolarHBondContact O-OG1 3.37Å
68T96Very high91.5Very high0 Ų041.6 Ų41.60%019%0.194CC..  trans-71.6136.4167.749.90000109.9P21 L23 F52 V54 F55 W57 Q82P21-T68 HydrophobicContact CB-CG2 3.71Å; L23-T68 HydrophobicContact CD2-CG2 4.45Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.38Å; V54-T68 WeakPolarHBondContact CA-OG1 3.27Å; F55-T68 HydrophobicContact CB-CG2 4.03Å; F55-T68 HydrophobicContact CD2-CG2 4.13Å; F55-T68 PolarHBondContact N-OG1 3.06Å; F55-T68 PolarHBondContact O-N 2.78Å; F55-T68 VanDerWaalsContact O-N 3.1Å; W57-T68 HydrophobicContact CZ3-CG2 4.19Å; T68-Q82 HydrophobicContact CG2-CB 3.87Å; T68-Q82 VanDerWaalsContact CG2-OE1 3.25Å
69E94.2Very high91.4Very high30 Ų3040.8 Ų40.814%0.1419%0.187CC..  trans-110.2-22.3-177.9-57.3-67.8171.400112.2K46 K67 Q82K46-E69 WeakPolarHBondContact CG-O 3.22Å; K46-E69 PolarHBondContact N-O 3.27Å; K67-E69 VanDerWaalsContact CE-CD 3.41Å; K67-E69 WeakPolarHBondContact CE-OE1 3.45Å; K67-E69 VanDerWaalsContact CE-OE2 3.27Å; K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 WeakPolarHBondContact CG-OE1 3.09Å; K67-E69 IonicContact NZ-OE1 3.67Å; K67-E69 IonicContact NZ-OE2 2.93Å; E69-Q82 PolarHBondContact N-O 3.03Å
70V94.1Very high91.4Very high0 Ų040.8 Ų40.80%019%0.187CC..SBendtrans-127153176.9-59.40000111.4I47 F52 C74 Q82 L85I47-V70 HydrophobicContact CG1-CG1 3.74Å; F52-V70 WeakPolarHBondContact CE2-O 3.48Å; V70-C74 HydrophobicContact CB-CB 4.41Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.34Å; V70-Q82 PolarHBondContact N-O 2.92Å; V70-L85 HydrophobicContact CB-CD2 4.39Å; V70-L85 HydrophobicContact CG1-CD2 3.75Å; V70-L85 HydrophobicContact CG2-CD2 3.67Å
71C92.4Very high91.7Very high5 Ų540.2 Ų40.23%0.03418%0.181CC..  trans-66.8162.6176.665.10000112.4C45 C48 F52 T73 C74 S75C45-C71 HydrophobicContact CB-CB 4.12Å; C45-C71 PolarHBondContact SG-N 2.78Å; C45-C71 VanDerWaalsContact SG-N 3.37Å; C48-C71 VanDerWaalsContact SG-SG 3.68Å; F52-C71 HydrophobicContact CB-CB 3.59Å; F52-C71 HydrophobicContact CD1-CB 4.37Å; F52-C71 HydrophobicContact CD2-CB 4.15Å; F52-C71 HydrophobicContact CG-CB 3.8Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 3.38Å; C71-C74 PolarHBondContact O-N 2.93Å; C71-C74 PolarHBondContact SG-N 2.83Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.85Å; C71-S75 WeakPolarHBondContact O-CB 3.34Å; C71-S75 PolarHBondContact O-N 2.82Å
72Q90.8Very high92Very high36 Ų3634.7 Ų34.717%0.16815%0.148CC..Hα-helixtrans-64.9-34.2177.7-157.9-179.9300111.3E16 I22 S75 K76 Q82E16-Q72 WeakPolarHBondContact OE1-CA 3.22Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.38Å; E16-Q72 PolarHBondContact OE1-N 3.4Å; E16-Q72 PolarHBondContact OE2-N 3.24Å; I22-Q72 HydrophobicContact CD1-CG 3.42Å; I22-Q72 VanDerWaalsContact CD1-CG 3.42Å; I22-Q72 HydrophobicContact CG1-CG 3.9Å; Q72-S75 PolarHBondContact O-N 3.27Å; Q72-K76 HydrophobicContact CG-CD 4.29Å; Q72-K76 HydrophobicContact CG-CG 4.37Å; Q72-K76 WeakPolarHBondContact O-CB 3.4Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.35Å; Q72-Q82 VanDerWaalsContact N-NE2 3.17Å
73T89.8Confident92.5Very high9 Ų924.8 Ų24.86%0.05511%0.113CC..Hα-helixtrans-57.2-54.3174.2-57.70000112E16 C71 S75 K76 L77 E122 I125E16-T73 WeakPolarHBondContact OE2-CB 3.4Å; E16-T73 PolarHBondContact OE2-N 3.14Å; E16-T73 PolarHBondContact OE2-OG1 3.15Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 3.38Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.24Å; T73-K76 PolarHBondContact O-N 2.98Å; T73-L77 HydrophobicContact CG2-CD1 4.43Å; T73-L77 WeakPolarHBondContact O-CG 3.13Å; T73-L77 PolarHBondContact O-N 3.03Å; T73-E122 HydrophobicContact CG2-CB 3.91Å; T73-E122 HydrophobicContact CG2-CG 4.44Å; T73-I125 HydrophobicContact CG2-CD1 4.04Å
74C90.8Very high92.6Very high0 Ų023.3 Ų23.30%011%0.106CC..Hα-helixtrans-63.1-35.4177.3-71.10000112.4V70 C71 Y202V70-C74 HydrophobicContact CB-CB 4.41Å; C71-C74 PolarHBondContact O-N 2.93Å; C71-C74 PolarHBondContact SG-N 2.83Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.85Å; C74-Y202 HydrophobicContact CB-CE2 4.21Å; C74-Y202 WeakPolarHBondContact CB-OH 3.22Å; C74-Y202 PolarHBondContact O-OH 2.95Å; C74-Y202 VanDerWaalsContact O-OH 3.06Å
75S92.8Very high92.6Very high1 Ų119 Ų191%0.0079%0.09CC..Hα-helixtrans-65.9-42.6175.9165.20000112.4I22 C71 Q72 T73 N79 V80I22-S75 WeakPolarHBondContact CB-OG 3.45Å; I22-S75 WeakPolarHBondContact CG2-OG 3.26Å; C71-S75 WeakPolarHBondContact O-CB 3.34Å; C71-S75 PolarHBondContact O-N 2.82Å; Q72-S75 PolarHBondContact O-N 3.27Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.24Å; S75-N79 WeakPolarHBondContact O-CA 3.26Å; S75-N79 PolarHBondContact O-N 2.93Å; S75-V80 WeakPolarHBondContact CB-O 3.28Å; S75-V80 PolarHBondContact O-N 3.3Å; S75-V80 PolarHBondContact OG-O 3.22Å
76K90.4Very high92.7Very high42 Ų4213.5 Ų13.518%0.1837%0.066CC..Hα-helixtrans-67.5-42178-77.8178.4172.8178.80112.6I22 Q72 T73 K78 N79 I125 G130 P133I22-K76 HydrophobicContact CD1-CD 4.44Å; I22-K76 HydrophobicContact CD1-CG 3.6Å; Q72-K76 HydrophobicContact CG-CD 4.29Å; Q72-K76 HydrophobicContact CG-CG 4.37Å; Q72-K76 WeakPolarHBondContact O-CB 3.4Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.35Å; T73-K76 PolarHBondContact O-N 2.98Å; K76-K78 PolarHBondContact O-N 3.2Å; K76-N79 PolarHBondContact O-N 2.99Å; K76-I125 HydrophobicContact CB-CD1 4.13Å; K76-I125 HydrophobicContact CD-CG2 3.75Å; K76-G130 WeakPolarHBondContact CE-O 3.44Å; K76-P133 WeakPolarHBondContact O-CB 3.28Å
77L88.4Confident92.6Very high13 Ų1312.6 Ų12.67%0.0686%0.062CC..Hα-helixtrans-54.8-40.8178.4-78.1171.8000112.7T73 Y117 M121 I125T73-L77 HydrophobicContact CG2-CD1 4.43Å; T73-L77 WeakPolarHBondContact O-CG 3.13Å; T73-L77 PolarHBondContact O-N 3.03Å; L77-Y117 HydrophobicContact CD1-CE1 4.35Å; L77-M121 HydrophobicContact CD1-CB 4.02Å; L77-M121 HydrophobicContact CD1-CG 4.38Å; L77-M121 HydrophobicContact CD2-CB 3.53Å; L77-M121 HydrophobicContact CD2-CG 3.62Å; L77-M121 HydrophobicContact CD2-SD 3.74Å; L77-M121 HydrophobicContact CG-CB 4.25Å; L77-I125 HydrophobicContact CD2-CD1 4.24Å; L77-I125 HydrophobicContact CG-CD1 4.22Å
78K89.1Confident92.4Very high4 Ų413 Ų132%0.0177%0.067CC..THydrogen-bonded Turntrans-104.12.6-176.4-74.7-71.5-167.9164.90113.7K76 V80 I94 R97 D98 D105 M107 Y202K76-K78 PolarHBondContact O-N 3.2Å; K78-V80 VanDerWaalsContact C-N 3.31Å; K78-V80 HydrophobicContact CB-CG1 4.11Å; K78-V80 HydrophobicContact CB-CG2 3.96Å; K78-V80 WeakPolarHBondContact O-CG1 3.48Å; K78-V80 PolarHBondContact O-N 2.72Å; K78-I94 HydrophobicContact CB-CD1 4.39Å; K78-I94 HydrophobicContact CD-CG2 4.29Å; K78-R97 PolarHBondContact O-NH1 3.44Å; K78-R97 PolarHBondContact O-NH2 3.03Å; K78-D98 IonicContact NZ-OD2 3.58Å; K78-D98 PolarHBondContact NZ-OD2 3.43Å; K78-D105 WeakPolarHBondContact CE-OD2 3.36Å; K78-D105 IonicContact NZ-OD1 3.07Å; K78-D105 IonicContact NZ-OD2 3.19Å; K78-D105 PolarHBondContact NZ-OD2 3.23Å; K78-M107 HydrophobicContact CG-CE 4.43Å; K78-Y202 HydrophobicContact CB-CE2 4.2Å; K78-Y202 HydrophobicContact CG-CE2 3.91Å
79N91.5Very high92Very high27 Ų2718.2 Ų18.214%0.1449%0.091CC..THydrogen-bonded Turntrans48.246.6-172.3-161.221.4000114.2S75 K76 L88 E89 P133 L137S75-N79 WeakPolarHBondContact O-CA 3.26Å; S75-N79 PolarHBondContact O-N 2.93Å; K76-N79 PolarHBondContact O-N 2.99Å; N79-L88 PolarHBondContact O-N 3.18Å; N79-E89 PolarHBondContact ND2-OE1 2.72Å; N79-P133 HydrophobicContact CB-CB 4.04Å; N79-P133 HydrophobicContact CB-CG 4.3Å; N79-L137 HydrophobicContact CB-CD2 3.96Å
80V93.9Very high91.8Very high0 Ų017.5 Ų17.50%09%0.087CC..BIsolated β-bridgetrans-121.6153.8-175.5-65.70000113.6S75 K78 Q82 L85 L86 I94 Y202S75-V80 WeakPolarHBondContact CB-O 3.28Å; S75-V80 PolarHBondContact O-N 3.3Å; S75-V80 PolarHBondContact OG-O 3.22Å; K78-V80 VanDerWaalsContact C-N 3.31Å; K78-V80 HydrophobicContact CB-CG1 4.11Å; K78-V80 HydrophobicContact CB-CG2 3.96Å; K78-V80 WeakPolarHBondContact O-CG1 3.48Å; K78-V80 PolarHBondContact O-N 2.72Å; V80-Q82 PolarHBondContact O-N 3.23Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; V80-L86 CarbonylContact C-O 3.59Å; V80-L86 WeakPolarHBondContact CA-O 3.29Å; V80-L86 WeakPolarHBondContact CB-O 3.29Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.54Å; V80-I94 HydrophobicContact CG2-CD1 4.44Å; V80-Y202 HydrophobicContact CG2-CE2 4.42Å
81C95.2Very high91.7Very high0 Ų019.2 Ų19.20%011%0.105CC..  trans-64.3130.6173.1169.50000112.2C24 T83 C84 L85 L86 L88C24-C81 HydrophobicContact CB-CB 4.11Å; C81-T83 PolarHBondContact O-N 3.21Å; C81-C84 WeakPolarHBondContact CB-SG 3.36Å; C81-C84 PolarHBondContact SG-SG 3.12Å; C81-L85 WeakPolarHBondContact O-CA 3.16Å; C81-L85 PolarHBondContact O-N 2.99Å; C81-L86 PolarHBondContact N-O 3.4Å; C81-L88 HydrophobicContact CB-CD2 3.86Å
82Q94.9Very high91.7Very high1 Ų119.2 Ų19.21%0.00511%0.105CC..THydrogen-bonded Turntrans-60.1-17.2-177.8-75.3178.4-28.500115.3I22 L23 T68 E69 V70 Q72 V80I22-Q82 HydrophobicContact CB-CG 4.26Å; I22-Q82 VanDerWaalsContact N-OE1 3.15Å; I22-Q82 WeakPolarHBondContact O-CB 3.4Å; I22-Q82 PolarHBondContact O-N 2.94Å; L23-Q82 HydrophobicContact CD2-CB 4.36Å; T68-Q82 HydrophobicContact CG2-CB 3.87Å; T68-Q82 VanDerWaalsContact CG2-OE1 3.25Å; E69-Q82 PolarHBondContact N-O 3.03Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.34Å; V70-Q82 PolarHBondContact N-O 2.92Å; Q72-Q82 VanDerWaalsContact N-NE2 3.17Å; V80-Q82 PolarHBondContact O-N 3.23Å
83T94Very high91.8Very high23 Ų2317.8 Ų17.814%0.14110%0.098CC..THydrogen-bonded Turntrans-108.2-40.3-178-600000113.6W57 K66 K67 C81W57-T83 VanDerWaalsContact CH2-OG1 3.26Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.46Å; K66-T83 HydrophobicContact CB-CG2 4.39Å; K67-T83 WeakPolarHBondContact O-CB 3.32Å; K67-T83 WeakPolarHBondContact O-CG2 3.28Å; K67-T83 PolarHBondContact O-OG1 3.37Å; C81-T83 PolarHBondContact O-N 3.21Å
84C91.8Very high91.9Very high7 Ų717.3 Ų17.35%0.04710%0.096CC..THydrogen-bonded Turntrans-103.2-9.6-175.669.70000114.8C27 C81 L86 R159 R201C27-C84 VanDerWaalsContact SG-CB 3.52Å; C81-C84 WeakPolarHBondContact CB-SG 3.36Å; C81-C84 PolarHBondContact SG-SG 3.12Å; C84-L86 HydrophobicContact CB-CG 4.45Å; C84-L86 PolarHBondContact O-N 2.68Å; C84-L86 VanDerWaalsContact O-N 3.17Å; C84-R159 PolarHBondContact SG-NH1 3.17Å; C84-R201 PolarHBondContact O-NH2 2.86Å
85L93.4Very high92Very high5 Ų519.1 Ų19.13%0.02610%0.104CC..  trans5527.8-177.4-53.2-179.8000113.6V70 V80 C81 I198 Y202V70-L85 HydrophobicContact CB-CD2 4.39Å; V70-L85 HydrophobicContact CG1-CD2 3.75Å; V70-L85 HydrophobicContact CG2-CD2 3.67Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; C81-L85 WeakPolarHBondContact O-CA 3.16Å; C81-L85 PolarHBondContact O-N 2.99Å; L85-I198 HydrophobicContact CD1-CG2 3.49Å; L85-I198 VanDerWaalsContact CD1-CG2 3.49Å; L85-I198 WeakPolarHBondContact CD1-O 3.08Å; L85-Y202 HydrophobicContact CD2-CD2 4.26Å
86L93.7Very high92Very high9 Ų919 Ų195%0.04710%0.103CC..BIsolated β-bridgetrans-98.7150.5169.6-59.4-163.2000109.7V80 C81 C84 G91 L92 P93 R159 R201V80-L86 CarbonylContact C-O 3.59Å; V80-L86 WeakPolarHBondContact CA-O 3.29Å; V80-L86 WeakPolarHBondContact CB-O 3.29Å; C81-L86 PolarHBondContact N-O 3.4Å; C84-L86 HydrophobicContact CB-CG 4.45Å; C84-L86 PolarHBondContact O-N 2.68Å; C84-L86 VanDerWaalsContact O-N 3.17Å; L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.5Å; L86-L92 WeakPolarHBondContact CA-O 3.46Å; L86-P93 HydrophobicContact CD2-CB 4.31Å; L86-P93 HydrophobicContact CD2-CG 4.15Å; L86-R159 VanDerWaalsContact CD1-NH1 3.28Å; L86-R201 VanDerWaalsContact CD2-NH2 3.32Å
87D92.6Very high92Very high1 Ų117.1 Ų17.11%0.00510%0.095CC..BIsolated β-bridgetrans-56.8143.2174.8179.977.3000112.1E89 Y90 G91 L92 R97D87-E89 WeakPolarHBondContact OD2-CA 3.28Å; D87-E89 WeakPolarHBondContact OD2-CB 3.45Å; D87-E89 PolarHBondContact OD2-N 3.15Å; D87-Y90 VanDerWaalsContact OD2-CD2 3.29Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.39Å; D87-Y90 PolarHBondContact OD2-N 3.1Å; D87-G91 WeakPolarHBondContact O-CA 3.42Å; D87-G91 PolarHBondContact O-N 2.94Å; D87-G91 VanDerWaalsContact O-N 3.08Å; D87-L92 PolarHBondContact N-O 3.45Å; D87-R97 WeakPolarHBondContact OD1-CD 3.43Å; D87-R97 IonicContact OD1-CZ 3.93Å; D87-R97 IonicContact OD1-NE 3.95Å; D87-R97 IonicContact OD1-NH1 2.67Å; D87-R97 PolarHBondContact OD1-NH1 3.17Å
88L91Very high92Very high60 Ų6017.2 Ų17.231%0.31410%0.096SC..THydrogen-bonded Turntrans-81.6-23.9-177-64172.7000113.4I22 C24 N79 C81I22-L88 HydrophobicContact CG2-CD1 3.33Å; I22-L88 HydrophobicContact CG2-CD2 4.36Å; I22-L88 HydrophobicContact CG2-CG 4.41Å; C24-L88 HydrophobicContact CB-CD2 4.1Å; N79-L88 PolarHBondContact O-N 3.18Å; C81-L88 HydrophobicContact CB-CD2 3.86Å
89E88.2Confident92Very high109 Ų10919.5 Ų19.551%0.50912%0.115SC..THydrogen-bonded Turntrans-82.9-49.4-178.2-62.3174.7-173.600111.2N79 D87N79-E89 PolarHBondContact ND2-OE1 2.72Å; D87-E89 WeakPolarHBondContact OD2-CA 3.28Å; D87-E89 WeakPolarHBondContact OD2-CB 3.45Å; D87-E89 PolarHBondContact OD2-N 3.15Å
90Y89.3Confident91.8Very high16 Ų1618.9 Ų18.96%0.06312%0.115CC..THydrogen-bonded Turntrans-104.5-18.6-173.8-53-74.6000113.5D87 L92 R97 L147 L148 A151D87-Y90 VanDerWaalsContact OD2-CD2 3.29Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.39Å; D87-Y90 PolarHBondContact OD2-N 3.1Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.41Å; Y90-R97 HydrophobicContact CD2-CG 4.38Å; Y90-L147 HydrophobicContact CD1-CB 3.78Å; Y90-L147 HydrophobicContact CD2-CB 4.27Å; Y90-L147 HydrophobicContact CD2-CD1 4.02Å; Y90-L147 HydrophobicContact CE1-CB 3.82Å; Y90-L147 HydrophobicContact CE2-CB 4.33Å; Y90-L147 HydrophobicContact CE2-CD1 3.77Å; Y90-L147 HydrophobicContact CG-CB 4.01Å; Y90-L148 HydrophobicContact CD1-CD2 4.34Å; Y90-L148 HydrophobicContact CE1-CD2 4Å; Y90-L148 HydrophobicContact CE1-CG 4.16Å; Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.2Å
91G91.8Very high91.5Very high36 Ų3620 Ų2037%0.37112%0.121SC..  trans68.428-172.900000113.3L86 D87L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.5Å; D87-G91 WeakPolarHBondContact O-CA 3.42Å; D87-G91 PolarHBondContact O-N 2.94Å; D87-G91 VanDerWaalsContact O-N 3.08Å
92L92.6Very high90.9Very high5 Ų525.4 Ų25.43%0.02616%0.158CC..  trans-107.1159.3-176.9-61.6177.3000112L86 D87 Y90 V96 L147 L150 L213L86-L92 WeakPolarHBondContact CA-O 3.46Å; D87-L92 PolarHBondContact N-O 3.45Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.41Å; L92-V96 HydrophobicContact CD1-CG1 4.25Å; L92-L147 HydrophobicContact CD1-CB 4.32Å; L92-L147 HydrophobicContact CD1-CD2 3.83Å; L92-L150 HydrophobicContact CD1-CB 3.87Å; L92-L150 HydrophobicContact CD2-CB 4.17Å; L92-L213 HydrophobicContact CD2-CD2 3.76Å
93P93.6Very high90.3Very high5 Ų526.5 Ų26.53%0.03216%0.163CC..BIsolated β-bridgetrans-60.6149.4170.2-21.433.1000112.2L86 Q95 V96 R97 V209 A210 L213L86-P93 HydrophobicContact CD2-CB 4.31Å; L86-P93 HydrophobicContact CD2-CG 4.15Å; P93-Q95 VanDerWaalsContact C-N 3.32Å; P93-Q95 PolarHBondContact O-N 2.94Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.19Å; P93-V96 PolarHBondContact O-N 3.08Å; P93-V96 VanDerWaalsContact O-N 3.09Å; P93-R97 PolarHBondContact O-N 3.43Å; P93-R97 VanDerWaalsContact O-N 3.14Å; P93-V209 HydrophobicContact CG-CB 4.4Å; P93-V209 HydrophobicContact CG-CG1 3.95Å; P93-A210 HydrophobicContact CB-CB 4.08Å; P93-A210 HydrophobicContact CG-CB 4.5Å; P93-L213 HydrophobicContact CG-CD2 4.29Å
94I92Very high89.7Confident0 Ų033.9 Ų33.90%019%0.193CC..Hα-helixtrans-57.3-45.1-176.6-64.6172.7000111.1K78 V80 V96 R97 D98 Y202K78-I94 HydrophobicContact CB-CD1 4.39Å; K78-I94 HydrophobicContact CD-CG2 4.29Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.54Å; V80-I94 HydrophobicContact CG2-CD1 4.44Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 2.93Å; I94-R97 PolarHBondContact O-N 2.68Å; I94-D98 VanDerWaalsContact CG2-OD2 3.26Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.18Å; I94-D98 WeakPolarHBondContact O-CB 3.46Å; I94-D98 VanDerWaalsContact O-CG 3.23Å; I94-D98 PolarHBondContact O-N 2.7Å; I94-Y202 HydrophobicContact CD1-CD2 4.23Å; I94-Y202 VanDerWaalsContact CD1-O 3.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.37Å
95Q91.7Very high89.1Confident37 Ų3735.9 Ų35.917%0.17320%0.204CC..Hα-helixtrans-58.1-39.3178.3-176.5-176.5-12.500112.6P93 A99 G204 A210 D211P93-Q95 VanDerWaalsContact C-N 3.32Å; P93-Q95 PolarHBondContact O-N 2.94Å; Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 3.36Å; Q95-G204 WeakPolarHBondContact CG-O 3.29Å; Q95-A210 HydrophobicContact CB-CB 3.69Å; Q95-A210 HydrophobicContact CG-CB 4.01Å; Q95-D211 PolarHBondContact NE2-OD1 3.09Å
96V92.7Very high88.3Confident0 Ų042.5 Ų42.50%024%0.239CC..Hα-helixtrans-68.5-44.3178.8-178.20000110.6L92 P93 I94 G100 L147 L150 A210 L213 L214L92-V96 HydrophobicContact CD1-CG1 4.25Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.19Å; P93-V96 PolarHBondContact O-N 3.08Å; P93-V96 VanDerWaalsContact O-N 3.09Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 2.93Å; V96-G100 PolarHBondContact O-N 3.3Å; V96-L147 HydrophobicContact CG1-CD2 4.14Å; V96-L147 WeakPolarHBondContact O-CD2 3.4Å; V96-L150 HydrophobicContact CG1-CD1 3.88Å; V96-A210 HydrophobicContact CG2-CB 3.64Å; V96-L213 HydrophobicContact CG1-CB 4.48Å; V96-L213 HydrophobicContact CG2-CB 3.76Å; V96-L213 HydrophobicContact CG2-CD2 4.11Å; V96-L214 HydrophobicContact CG1-CD2 4.42Å; V96-L214 HydrophobicContact CG2-CG 4.39Å
97R90Very high87.7Confident2 Ų242.7 Ų42.71%0.00824%0.24CC..Hα-helixtrans-62.5-50.9178.2-178.4-163.865.5-169.2-0.4111.2K78 D87 Y90 P93 I94 A99 G100 L101 L147K78-R97 PolarHBondContact O-NH1 3.44Å; K78-R97 PolarHBondContact O-NH2 3.03Å; D87-R97 WeakPolarHBondContact OD1-CD 3.43Å; D87-R97 IonicContact OD1-CZ 3.93Å; D87-R97 IonicContact OD1-NE 3.95Å; D87-R97 IonicContact OD1-NH1 2.67Å; D87-R97 PolarHBondContact OD1-NH1 3.17Å; Y90-R97 HydrophobicContact CD2-CG 4.38Å; P93-R97 PolarHBondContact O-N 3.43Å; P93-R97 VanDerWaalsContact O-N 3.14Å; I94-R97 PolarHBondContact O-N 2.68Å; R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 3.23Å; R97-G100 CarbonylContact O-C 3.5Å; R97-G100 PolarHBondContact O-N 2.92Å; R97-G100 VanDerWaalsContact O-N 3.1Å; R97-L101 HydrophobicContact CG-CD1 3.81Å; R97-L101 HydrophobicContact CG-CG 4.36Å; R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.25Å; R97-L147 HydrophobicContact CB-CD1 4.42Å; R97-L147 HydrophobicContact CG-CD1 3.93Å
98D89.7Confident87.3Confident15 Ų1544.2 Ų44.28%0.0825%0.25CC..Hα-helixtrans-64.2-39-176.2-66.93.7000109.8K78 I94 L101 S102 F103K78-D98 IonicContact NZ-OD2 3.58Å; K78-D98 PolarHBondContact NZ-OD2 3.43Å; I94-D98 VanDerWaalsContact CG2-OD2 3.26Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.18Å; I94-D98 WeakPolarHBondContact O-CB 3.46Å; I94-D98 VanDerWaalsContact O-CG 3.23Å; I94-D98 PolarHBondContact O-N 2.7Å; D98-L101 PolarHBondContact O-N 3.07Å; D98-S102 PolarHBondContact O-N 3.48Å; D98-S102 VanDerWaalsContact O-N 3.08Å; D98-F103 HydrophobicContact CB-CD1 4.49Å; D98-F103 PolarHBondContact O-N 3.15Å
99A89.4Confident86.9Confident52 Ų5247.1 Ų47.143%0.4326%0.26SS..Hα-helixtrans-62.8-43.5170.500000113.2Q95 R97 L101 S102 L214Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 3.36Å; R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 3.23Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.07Å; A99-S102 PolarHBondContact O-N 3.24Å; A99-L214 HydrophobicContact CB-CD2 3.99Å
100G87.1Confident86.9Confident13 Ų1345.4 Ų45.413%0.13426%0.26CS..Hα-helixtrans-72.5-21.8179.100000114.6V96 R97 S144V96-G100 PolarHBondContact O-N 3.3Å; R97-G100 CarbonylContact O-C 3.5Å; R97-G100 PolarHBondContact O-N 2.92Å; R97-G100 VanDerWaalsContact O-N 3.1Å; G100-S144 VanDerWaalsContact O-CB 3.26Å; G100-S144 WeakPolarHBondContact O-CB 3.36Å; G100-S144 PolarHBondContact O-OG 3.46Å; G100-S144 VanDerWaalsContact O-OG 3.1Å
101L87Confident86.5Confident25 Ų2549.7 Ų49.713%0.13128%0.284CS..THydrogen-bonded Turntrans-92.4-3.9172.7-68.9176.2000112.6R97 D98 A99 F103 L137 S142 L147R97-L101 HydrophobicContact CG-CD1 3.81Å; R97-L101 HydrophobicContact CG-CG 4.36Å; R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.25Å; D98-L101 PolarHBondContact O-N 3.07Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.07Å; L101-F103 HydrophobicContact CB-CB 4.08Å; L101-F103 PolarHBondContact O-N 2.67Å; L101-L137 HydrophobicContact CD1-CD1 4.35Å; L101-S142 WeakPolarHBondContact CD2-O 2.9Å; L101-L147 HydrophobicContact CD2-CD1 4.19Å; L101-L147 HydrophobicContact CG-CD1 3.93Å
102S82.8Confident86.3Confident112 Ų11252.3 Ų52.378%0.78329%0.292SS*.THydrogen-bonded Turntrans51.732.9-168.3-58.40000112.7D98 A99D98-S102 PolarHBondContact O-N 3.48Å; D98-S102 VanDerWaalsContact O-N 3.08Å; A99-S102 PolarHBondContact O-N 3.24Å
103F81.8Confident86Confident24 Ų2456.2 Ų56.211%0.10531%0.314CS..PPolyproline II helixtrans-95.2124.6179.6178.6-112.3000109.1D98 L101 D105 M136 L137 A140D98-F103 HydrophobicContact CB-CD1 4.49Å; D98-F103 PolarHBondContact O-N 3.15Å; L101-F103 HydrophobicContact CB-CB 4.08Å; L101-F103 PolarHBondContact O-N 2.67Å; F103-D105 HydrophobicContact CD1-CB 4.3Å; F103-D105 HydrophobicContact CE1-CB 3.64Å; F103-D105 HydrophobicContact CZ-CB 4.22Å; F103-M136 HydrophobicContact CE2-CB 3.67Å; F103-M136 HydrophobicContact CZ-CB 3.95Å; F103-L137 HydrophobicContact CD1-CD1 4.04Å; F103-L137 HydrophobicContact CE1-CB 4.32Å; F103-L137 HydrophobicContact CE1-CD1 4.15Å; F103-L137 HydrophobicContact CZ-CB 4.38Å; F103-A140 HydrophobicContact CD2-CB 4.42Å
104K81.4Confident85.6Confident178 Ų17856.5 Ų56.577%0.77431%0.314SS*.PPolyproline II helixtrans-103.6117.7171.1-68-179.9-177.4176.60107.9
105D79.1Confident85.2Confident49 Ų4959.9 Ų59.926%0.26233%0.33SS..PPolyproline II helixtrans-95118.6176.5-173.961.6000111K78 F103 M107K78-D105 WeakPolarHBondContact CE-OD2 3.36Å; K78-D105 IonicContact NZ-OD1 3.07Å; K78-D105 IonicContact NZ-OD2 3.19Å; K78-D105 PolarHBondContact NZ-OD2 3.23Å; F103-D105 HydrophobicContact CD1-CB 4.3Å; F103-D105 HydrophobicContact CE1-CB 3.64Å; F103-D105 HydrophobicContact CZ-CB 4.22Å; D105-M107 PolarHBondContact O-N 3.03Å; D105-M107 VanDerWaalsContact OD2-CB 3.32Å; D105-M107 WeakPolarHBondContact OD2-CB 3.17Å
106D77.6Confident85Confident144 Ų14465.2 Ų65.277%0.7735%0.349SS*.  trans-98.650.1-178.4-63-36.8000111.5
107M80.4Confident84.8Confident14 Ų1467.9 Ų67.97%0.06936%0.36CS..  trans-74.7128.1177.2-176.6163.940.300111.2K78 D105 Y117 Y202 Y203K78-M107 HydrophobicContact CG-CE 4.43Å; D105-M107 PolarHBondContact O-N 3.03Å; D105-M107 VanDerWaalsContact OD2-CB 3.32Å; D105-M107 WeakPolarHBondContact OD2-CB 3.17Å; M107-Y117 HydrophobicContact CG-CD1 4.1Å; M107-Y117 HydrophobicContact CG-CE1 3.99Å; M107-Y117 HydrophobicContact SD-CD1 4.42Å; M107-Y117 HydrophobicContact SD-CE1 4.14Å; M107-Y202 HydrophobicContact CE-CD1 3.88Å; M107-Y202 HydrophobicContact CE-CE1 3.12Å; M107-Y202 HydrophobicContact SD-CE1 3.91Å; M107-Y203 HydrophobicContact CE-CD1 3.67Å; M107-Y203 HydrophobicContact CE-CE1 3.65Å; M107-Y203 HydrophobicContact CG-CE1 4.14Å; M107-Y203 HydrophobicContact SD-CE1 4.19Å
108P85Confident84.6Confident33 Ų3367.9 Ų67.921%0.21436%0.36CS..  trans-67.2138.9-177.423.9-32.5000112.4N113 Y117P108-N113 HydrophobicContact CB-CB 3.63Å; P108-N113 HydrophobicContact CG-CB 4.2Å; P108-N113 WeakPolarHBondContact CG-O 3.42Å; P108-Y117 HydrophobicContact CG-CD2 4.25Å; P108-Y117 HydrophobicContact CG-CG 3.89Å
109K82.8Confident84.4Confident121 Ų12169.9 Ų69.953%0.52637%0.369SS..  trans-96.4-27.5-178.3-60.9177.2-173.9174.50113.8I205K109-I205 HydrophobicContact CD-CD1 4.49Å
110S86.3Confident84.4Confident72 Ų7269.1 Ų69.150%0.50336%0.358SS..SBendtrans-62.2140.9178.3-45.40000110.6V112 N113 K114S110-V112 PolarHBondContact O-N 2.66Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-K114 WeakPolarHBondContact O-CB 3.19Å; S110-K114 PolarHBondContact O-N 3.01Å
111D82.3Confident84.4Confident106 Ų10669.9 Ų69.957%0.56736%0.358SS*.Hα-helixtrans-57.5-49.3-170.2-69.3-43.7000113.5K114 E115D111-K114 PolarHBondContact O-N 3.28Å; D111-K114 IonicContact OD1-NZ 2.79Å; D111-K114 PolarHBondContact OD1-NZ 3.16Å; D111-E115 WeakPolarHBondContact O-CG 3.37Å; D111-E115 PolarHBondContact O-N 3.31Å
112V86.1Confident84.3Confident91 Ų9169.7 Ų69.755%0.55236%0.356SS*.Hα-helixtrans-65.1-45.4179-178.30000111.9S110 K114 E115 Y116S110-V112 PolarHBondContact O-N 2.66Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.23Å; V112-E115 PolarHBondContact O-N 3.29Å; V112-Y116 WeakPolarHBondContact O-CB 3.31Å; V112-Y116 PolarHBondContact O-N 3.07Å
113N87.5Confident84.5Confident88 Ų8870.4 Ų70.447%0.47134%0.342SS..Hα-helixtrans-66.2-36-177.9-65.4-12.9000111.6P108 S110 Y117P108-N113 HydrophobicContact CB-CB 3.63Å; P108-N113 HydrophobicContact CG-CB 4.2Å; P108-N113 WeakPolarHBondContact CG-O 3.42Å; S110-N113 PolarHBondContact O-N 3.27Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 2.82Å
114K85.1Confident84.6Confident10 Ų1073.8 Ų73.84%0.04336%0.358CS..Hα-helixtrans-65.7-46.2175.4176.1-173.570-158.90111.4I47 S110 D111 V112 Y117 T118 Y203I47-K114 VanDerWaalsContact O-CD 3.28Å; I47-K114 WeakPolarHBondContact O-CD 3.44Å; I47-K114 WeakPolarHBondContact O-CE 3.39Å; I47-K114 PolarHBondContact O-NZ 3.24Å; S110-K114 WeakPolarHBondContact O-CB 3.19Å; S110-K114 PolarHBondContact O-N 3.01Å; D111-K114 PolarHBondContact O-N 3.28Å; D111-K114 IonicContact OD1-NZ 2.79Å; D111-K114 PolarHBondContact OD1-NZ 3.16Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.23Å; K114-Y117 PolarHBondContact O-N 3.2Å; K114-T118 WeakPolarHBondContact O-CB 3.49Å; K114-T118 VanDerWaalsContact O-CG2 3.26Å; K114-T118 WeakPolarHBondContact O-CG2 3.33Å; K114-T118 PolarHBondContact O-N 2.83Å; K114-T118 PolarHBondContact O-OG1 2.88Å; K114-Y203 VanDerWaalsContact CD-OH 3.24Å; K114-Y203 WeakPolarHBondContact CD-OH 3.31Å
115E82.9Confident84.8Confident72 Ų7265.9 Ų65.934%0.33632%0.324SS..Hα-helixtrans-60.8-48.6175.7-73.5175.2-167.100111.1D111 V112 Y117 T118 Q119D111-E115 WeakPolarHBondContact O-CG 3.37Å; D111-E115 PolarHBondContact O-N 3.31Å; V112-E115 PolarHBondContact O-N 3.29Å; E115-Y117 PolarHBondContact O-N 3.19Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-T118 PolarHBondContact O-OG1 3.06Å; E115-Q119 WeakPolarHBondContact O-CB 3.38Å; E115-Q119 PolarHBondContact O-N 3.13Å
116Y87.2Confident85.1Confident148 Ų14867.6 Ų67.658%0.5834%0.34SS*.Hα-helixtrans-58.2-47176.4178.9-103.7000112.6V112 Q119 N120V112-Y116 WeakPolarHBondContact O-CB 3.31Å; V112-Y116 PolarHBondContact O-N 3.07Å; Y116-Q119 PolarHBondContact O-N 3.14Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.3Å; Y116-N120 PolarHBondContact O-N 3.47Å; Y116-N120 PolarHBondContact OH-ND2 3.5Å
117Y88.6Confident85.4Confident57 Ų5767 Ų6722%0.22434%0.337CS..Hα-helixtrans-60.8-48.5177.8-179.7-94.7000111.5L77 M107 P108 N113 K114 E115 Q119 N120 M121L77-Y117 HydrophobicContact CD1-CE1 4.35Å; M107-Y117 HydrophobicContact CG-CD1 4.1Å; M107-Y117 HydrophobicContact CG-CE1 3.99Å; M107-Y117 HydrophobicContact SD-CD1 4.42Å; M107-Y117 HydrophobicContact SD-CE1 4.14Å; P108-Y117 HydrophobicContact CG-CD2 4.25Å; P108-Y117 HydrophobicContact CG-CG 3.89Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 2.82Å; K114-Y117 PolarHBondContact O-N 3.2Å; E115-Y117 PolarHBondContact O-N 3.19Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Y117-N120 PolarHBondContact O-N 3.32Å; Y117-M121 HydrophobicContact CD1-CG 4.06Å; Y117-M121 HydrophobicContact CD2-CE 4.44Å; Y117-M121 HydrophobicContact CE1-CG 3.72Å; Y117-M121 HydrophobicContact CE2-CE 3.74Å; Y117-M121 HydrophobicContact CE2-CG 4.25Å; Y117-M121 HydrophobicContact CG-CG 4.45Å; Y117-M121 WeakPolarHBondContact O-CB 3.18Å; Y117-M121 WeakPolarHBondContact O-CG 3.38Å; Y117-M121 PolarHBondContact O-N 2.84Å
118T86.3Confident85.6Confident1 Ų168.3 Ų68.31%0.00635%0.348CS..Hα-helixtrans-66.2-33.9-179.856.70000112.9C48 K114 E115 E122C48-T118 HydrophobicContact CB-CG2 4.01Å; K114-T118 WeakPolarHBondContact O-CB 3.49Å; K114-T118 VanDerWaalsContact O-CG2 3.26Å; K114-T118 WeakPolarHBondContact O-CG2 3.33Å; K114-T118 PolarHBondContact O-N 2.83Å; K114-T118 PolarHBondContact O-OG1 2.88Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-T118 PolarHBondContact O-OG1 3.06Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.3Å; T118-E122 PolarHBondContact O-N 3.46Å
119Q86.6Confident85.4Confident58 Ų5872 Ų7227%0.27137%0.365SS..Hα-helixtrans-66.5-42.6174-173.1-177.812.400112E115 Y116 Y117 R123E115-Q119 WeakPolarHBondContact O-CB 3.38Å; E115-Q119 PolarHBondContact O-N 3.13Å; Y116-Q119 PolarHBondContact O-N 3.14Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Q119-R123 PolarHBondContact O-N 3.12Å
120N88.3Confident85.1Confident35 Ų3567.5 Ų67.519%0.18735%0.354CS..Hα-helixtrans-65.6-43.2176.3-76.6-16.7000112Y116 Y117 R123 E124Y116-N120 WeakPolarHBondContact CE1-ND2 3.3Å; Y116-N120 PolarHBondContact O-N 3.47Å; Y116-N120 PolarHBondContact OH-ND2 3.5Å; Y117-N120 PolarHBondContact O-N 3.32Å; N120-R123 WeakPolarHBondContact O-CB 3.21Å; N120-R123 PolarHBondContact O-N 3.23Å; N120-R123 PolarHBondContact OD1-NH1 3.06Å; N120-R123 PolarHBondContact OD1-NH2 3.49Å; N120-E124 PolarHBondContact O-N 2.91Å
121M86.6Confident84.8Confident29 Ų2969.9 Ų69.914%0.14337%0.365CS..Hα-helixtrans-67.4-36.9178.1-71.4-67.7147.700112.4L77 Y117 R123 E124 I125L77-M121 HydrophobicContact CD1-CB 4.02Å; L77-M121 HydrophobicContact CD1-CG 4.38Å; L77-M121 HydrophobicContact CD2-CB 3.53Å; L77-M121 HydrophobicContact CD2-CG 3.62Å; L77-M121 HydrophobicContact CD2-SD 3.74Å; L77-M121 HydrophobicContact CG-CB 4.25Å; Y117-M121 HydrophobicContact CD1-CG 4.06Å; Y117-M121 HydrophobicContact CD2-CE 4.44Å; Y117-M121 HydrophobicContact CE1-CG 3.72Å; Y117-M121 HydrophobicContact CE2-CE 3.74Å; Y117-M121 HydrophobicContact CE2-CG 4.25Å; Y117-M121 HydrophobicContact CG-CG 4.45Å; Y117-M121 WeakPolarHBondContact O-CB 3.18Å; Y117-M121 WeakPolarHBondContact O-CG 3.38Å; Y117-M121 PolarHBondContact O-N 2.84Å; M121-R123 VanDerWaalsContact C-N 3.33Å; M121-R123 PolarHBondContact O-N 3.46Å; M121-E124 PolarHBondContact O-N 3.37Å; M121-I125 WeakPolarHBondContact O-CB 3.43Å; M121-I125 WeakPolarHBondContact O-CD1 3.5Å; M121-I125 WeakPolarHBondContact O-CG1 2.88Å; M121-I125 PolarHBondContact O-N 3.27Å
122E86Confident84.7Confident21 Ų2172.1 Ų72.110%0.09837%0.366CS..Hα-helixtrans-61.2-42.4172.9-176.4-174.2-154.700111.7R50 T73 T118 E124 I125 S126R50-E122 IonicContact CZ-OE1 3.96Å; R50-E122 IonicContact CZ-OE2 2.66Å; R50-E122 IonicContact NH1-OE1 3.9Å; R50-E122 IonicContact NH1-OE2 2.77Å; R50-E122 PolarHBondContact NH1-OE2 3.41Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.23Å; R50-E122 IonicContact NH2-OE2 3.77Å; R50-E122 PolarHBondContact NH2-OE2 3.16Å; T73-E122 HydrophobicContact CG2-CB 3.91Å; T73-E122 HydrophobicContact CG2-CG 4.44Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.3Å; T118-E122 PolarHBondContact O-N 3.46Å; E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 PolarHBondContact O-N 3.26Å; E122-I125 PolarHBondContact O-N 2.85Å; E122-S126 PolarHBondContact O-N 3.39Å; E122-S126 PolarHBondContact O-OG 3.01Å
123R86.3Confident84.1Confident128 Ų12868.9 Ų68.948%0.48335%0.346SS..Hα-helixtrans-64.2-37175.1-176.5177.964.3-106.6-0.1111.9Q119 N120 M121 S126 N127Q119-R123 PolarHBondContact O-N 3.12Å; N120-R123 WeakPolarHBondContact O-CB 3.21Å; N120-R123 PolarHBondContact O-N 3.23Å; N120-R123 PolarHBondContact OD1-NH1 3.06Å; N120-R123 PolarHBondContact OD1-NH2 3.49Å; M121-R123 VanDerWaalsContact C-N 3.33Å; M121-R123 PolarHBondContact O-N 3.46Å; R123-S126 WeakPolarHBondContact CA-OG 3.38Å; R123-S126 PolarHBondContact O-OG 3.43Å; R123-N127 PolarHBondContact O-N 3.03Å; R123-N127 PolarHBondContact O-ND2 3.44Å; R123-N127 PolarHBondContact O-OD1 2.83Å
124E85.3Confident83.4Confident94 Ų9465.4 Ų65.444%0.43933%0.329SS..Hα-helixtrans-68.7-40.6174.1-164.2179.4160.200111.3N120 M121 E122 N127 S128 V134N120-E124 PolarHBondContact O-N 2.91Å; M121-E124 PolarHBondContact O-N 3.37Å; E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 PolarHBondContact O-N 3.26Å; E124-N127 PolarHBondContact O-N 3.24Å; E124-N127 VanDerWaalsContact O-N 3.16Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-V134 HydrophobicContact CB-CG1 4.12Å; E124-V134 HydrophobicContact CG-CG1 3.67Å
125I85.8Confident82.8Confident12 Ų1266.2 Ų66.26%0.06234%0.339CS..Hα-helixtrans-64.3-40.3176.2-71.4162000111.5T73 K76 L77 M121 E122 N127 S128 V134T73-I125 HydrophobicContact CG2-CD1 4.04Å; K76-I125 HydrophobicContact CB-CD1 4.13Å; K76-I125 HydrophobicContact CD-CG2 3.75Å; L77-I125 HydrophobicContact CD2-CD1 4.24Å; L77-I125 HydrophobicContact CG-CD1 4.22Å; M121-I125 WeakPolarHBondContact O-CB 3.43Å; M121-I125 WeakPolarHBondContact O-CD1 3.5Å; M121-I125 WeakPolarHBondContact O-CG1 2.88Å; M121-I125 PolarHBondContact O-N 3.27Å; E122-I125 PolarHBondContact O-N 2.85Å; I125-N127 PolarHBondContact O-N 3.49Å; I125-S128 WeakPolarHBondContact O-CB 3.37Å; I125-S128 PolarHBondContact O-N 2.8Å; I125-S128 PolarHBondContact O-OG 2.82Å; I125-V134 HydrophobicContact CB-CG2 4.37Å; I125-V134 HydrophobicContact CD1-CB 4.49Å; I125-V134 HydrophobicContact CG1-CB 3.56Å; I125-V134 HydrophobicContact CG1-CG1 3.99Å; I125-V134 HydrophobicContact CG1-CG2 3.67Å
126S84.2Confident82.3Confident85 Ų8569.1 Ų69.159%0.59436%0.355SS*.Hα-helixtrans-64.2-25.4176.261.90000112.8E122 R123 S128E122-S126 PolarHBondContact O-N 3.39Å; E122-S126 PolarHBondContact O-OG 3.01Å; R123-S126 WeakPolarHBondContact CA-OG 3.38Å; R123-S126 PolarHBondContact O-OG 3.43Å; S126-S128 VanDerWaalsContact C-N 3.34Å
127N84.8Confident81.5Confident133 Ų13362.7 Ų62.771%0.71133%0.33SS*.THydrogen-bonded Turntrans-88.1-3.4175.9-61.9-14000112.8R123 E124 I125R123-N127 PolarHBondContact O-N 3.03Å; R123-N127 PolarHBondContact O-ND2 3.44Å; R123-N127 PolarHBondContact O-OD1 2.83Å; E124-N127 PolarHBondContact O-N 3.24Å; E124-N127 VanDerWaalsContact O-N 3.16Å; I125-N127 PolarHBondContact O-N 3.49Å
128S83.6Confident80.4Confident41 Ų4160.7 Ų60.729%0.28733%0.327SS..SBendtrans-98.7171.6-179.578.60000112.3E124 I125 S126 G130 V134E124-S128 PolarHBondContact O-N 3.25Å; I125-S128 WeakPolarHBondContact O-CB 3.37Å; I125-S128 PolarHBondContact O-N 2.8Å; I125-S128 PolarHBondContact O-OG 2.82Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S128-G130 PolarHBondContact O-N 3.49Å; S128-G130 VanDerWaalsContact O-N 3.15Å; S128-G130 PolarHBondContact OG-N 3.03Å; S128-V134 VanDerWaalsContact OG-CG2 3.26Å; S128-V134 WeakPolarHBondContact OG-CG2 3.26Å
129D81.2Confident79.5Confident109 Ų10969.5 Ų69.558%0.58337%0.365SS*.  trans-66.3-8.4173.967.45.2000114.2T131 R132D129-T131 PolarHBondContact O-N 3.24Å; D129-T131 PolarHBondContact O-OG1 3.26Å; D129-T131 PolarHBondContact OD1-N 2.88Å; D129-R132 PolarHBondContact OD1-N 3.25Å
130G76.6Confident78.5Confident28 Ų2867.8 Ų67.829%0.28936%0.361SS..SBendtrans65.84.7-178.500000115.2K76 S128K76-G130 WeakPolarHBondContact CE-O 3.44Å; S128-G130 PolarHBondContact O-N 3.49Å; S128-G130 VanDerWaalsContact O-N 3.15Å; S128-G130 PolarHBondContact OG-N 3.03Å
131T80.5Confident77.5Confident121 Ų12169.6 Ų69.674%0.74237%0.373SS*.SBendtrans-102.6-38.6-174.6-55.50000111.5D129D129-T131 PolarHBondContact O-N 3.24Å; D129-T131 PolarHBondContact O-OG1 3.26Å; D129-T131 PolarHBondContact OD1-N 2.88Å
132R79.1Confident76.8Confident154 Ų15472.2 Ų72.258%0.58139%0.394SS*.SBendtrans-94149.6177.9-62.1-177.473.5166.81.1110.7D129 V134D129-R132 PolarHBondContact OD1-N 3.25Å; R132-V134 PolarHBondContact O-N 3.08Å; R132-V134 VanDerWaalsContact O-N 3.13Å
133P73.3Confident76.3Confident22 Ų2276.4 Ų76.414%0.14342%0.422CS..PPolyproline II helixtrans-62.7119.2171.626.4-32.6000109.2K76 N79 L137K76-P133 WeakPolarHBondContact O-CB 3.28Å; N79-P133 HydrophobicContact CB-CB 4.04Å; N79-P133 HydrophobicContact CB-CG 4.3Å; P133-L137 HydrophobicContact CB-CD2 4.46Å
134V73.9Confident76Confident16 Ų1671.3 Ų71.310%0.09741%0.406CS..PPolyproline II helixtrans-79.4137.1177.8-178.70000108.8E124 I125 S128 R132E124-V134 HydrophobicContact CB-CG1 4.12Å; E124-V134 HydrophobicContact CG-CG1 3.67Å; I125-V134 HydrophobicContact CB-CG2 4.37Å; I125-V134 HydrophobicContact CD1-CB 4.49Å; I125-V134 HydrophobicContact CG1-CB 3.56Å; I125-V134 HydrophobicContact CG1-CG1 3.99Å; I125-V134 HydrophobicContact CG1-CG2 3.67Å; S128-V134 VanDerWaalsContact OG-CG2 3.26Å; S128-V134 WeakPolarHBondContact OG-CG2 3.26Å; R132-V134 PolarHBondContact O-N 3.08Å; R132-V134 VanDerWaalsContact O-N 3.13Å
135G71.6Confident75.9Confident26 Ų2669.8 Ų69.827%0.26840%0.4SS..SBendtrans110.9-168.7-176.700000113.6L137 G138G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 3.16Å; G135-G138 PolarHBondContact O-N 2.8Å
136M72.2Confident75.9Confident134 Ų13472.4 Ų72.466%0.6641%0.413SS*.G310 helixtrans-65.6-27.7-173.2-67.4178.764.100113.5F103 G138 K139F103-M136 HydrophobicContact CE2-CB 3.67Å; F103-M136 HydrophobicContact CZ-CB 3.95Å; M136-G138 VanDerWaalsContact C-N 3.25Å; M136-G138 PolarHBondContact O-N 3.35Å; M136-K139 WeakPolarHBondContact O-CB 3.32Å; M136-K139 PolarHBondContact O-N 2.98Å
137L71.7Confident76Confident13 Ų1368.4 Ų68.47%0.06839%0.385CS..G310 helixtrans-59.1-38177.7-176.663.9000111.8N79 L101 F103 P133 G135 K139 A140N79-L137 HydrophobicContact CB-CD2 3.96Å; L101-L137 HydrophobicContact CD1-CD1 4.35Å; F103-L137 HydrophobicContact CD1-CD1 4.04Å; F103-L137 HydrophobicContact CE1-CB 4.32Å; F103-L137 HydrophobicContact CE1-CD1 4.15Å; F103-L137 HydrophobicContact CZ-CB 4.38Å; P133-L137 HydrophobicContact CB-CD2 4.46Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 3.16Å; L137-K139 PolarHBondContact O-N 2.94Å; L137-K139 VanDerWaalsContact O-N 3.14Å; L137-A140 PolarHBondContact O-N 3.19Å
138G65.7Low76.2Confident15 Ų1566.8 Ų66.816%0.15538%0.376CS..G310 helixtrans-65.2-14.2177.200000114.4G135 M136 T141G135-G138 PolarHBondContact O-N 2.8Å; M136-G138 VanDerWaalsContact C-N 3.25Å; M136-G138 PolarHBondContact O-N 3.35Å; G138-T141 WeakPolarHBondContact O-CG2 3.17Å
139K66.6Low76.4Confident186 Ų18669.1 Ų69.181%0.80938%0.381SS*.G310 helixtrans-88.3-21.3174.5-57.1-166.1178-163.30112.9M136 L137M136-K139 WeakPolarHBondContact O-CB 3.32Å; M136-K139 PolarHBondContact O-N 2.98Å; L137-K139 PolarHBondContact O-N 2.94Å; L137-K139 VanDerWaalsContact O-N 3.14Å
140A66.4Low76.7Confident21 Ų2164.8 Ų64.817%0.17436%0.357CS..  trans-96.424.3-174.700000113.2F103 L137 S142F103-A140 HydrophobicContact CD2-CB 4.42Å; L137-A140 PolarHBondContact O-N 3.19Å; A140-S142 PolarHBondContact O-N 2.66Å
141T67.1Low77.4Confident74 Ų7464.8 Ų64.845%0.45436%0.355SS..  trans-7222-173.460.70000114.4G138 T143G138-T141 WeakPolarHBondContact O-CG2 3.17Å; T141-T143 PolarHBondContact O-N 2.85Å
142S70.4Confident77.8Confident84 Ų8466 Ų6659%0.58735%0.346SS*.  trans-69.2115.9171.854.30000109.3L101 A140 S144L101-S142 WeakPolarHBondContact CD2-O 2.9Å; A140-S142 PolarHBondContact O-N 2.66Å; S142-S144 PolarHBondContact O-N 2.69Å; S142-S144 VanDerWaalsContact O-N 3.17Å
143T76.7Confident78.2Confident109 Ų10965.5 Ų65.567%0.66936%0.36SS*.  trans-59.5117.3176.355.20000110T141T141-T143 PolarHBondContact O-N 2.85Å
144S79.8Confident79Confident21 Ų2168.5 Ų68.515%0.14738%0.379CS..  trans-95.6133.6175.462.20000111.6G100 S142 M146 L147 L148G100-S144 VanDerWaalsContact O-CB 3.26Å; G100-S144 WeakPolarHBondContact O-CB 3.36Å; G100-S144 PolarHBondContact O-OG 3.46Å; G100-S144 VanDerWaalsContact O-OG 3.1Å; S142-S144 PolarHBondContact O-N 2.69Å; S142-S144 VanDerWaalsContact O-N 3.17Å; S144-M146 PolarHBondContact O-N 2.85Å; S144-L147 PolarHBondContact O-N 3.1Å; S144-L147 VanDerWaalsContact O-N 3.12Å; S144-L147 WeakPolarHBondContact OG-CD1 3.4Å; S144-L147 WeakPolarHBondContact OG-CG 3.43Å; S144-L148 PolarHBondContact O-N 3.41Å
145D83.1Confident79.8Confident61 Ų6170.4 Ų70.433%0.32639%0.391SS..Hα-helixtrans-64-31.6-177.2-171.636.9000111.9L147 L148 K149D145-L147 PolarHBondContact O-N 3.48Å; D145-L148 PolarHBondContact O-N 3.21Å; D145-K149 WeakPolarHBondContact O-CB 3.25Å; D145-K149 VanDerWaalsContact O-CG 3.28Å; D145-K149 WeakPolarHBondContact O-CG 3.26Å; D145-K149 PolarHBondContact O-N 2.97Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 WeakPolarHBondContact OD2-CE 3.35Å; D145-K149 IonicContact OD2-NZ 3.09Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å
146M84.6Confident80.6Confident68 Ų6873.5 Ų73.534%0.33540%0.395SS..Hα-helixtrans-58.8-44.5172.6179.5-174165.100112S144 K149 L150 L214 A217S144-M146 PolarHBondContact O-N 2.85Å; M146-K149 PolarHBondContact O-N 3.14Å; M146-L150 HydrophobicContact CE-CD1 4.12Å; M146-L150 HydrophobicContact CG-CD1 4.07Å; M146-L150 WeakPolarHBondContact O-CG 3.44Å; M146-L150 PolarHBondContact O-N 2.98Å; M146-L150 VanDerWaalsContact O-N 3.16Å; M146-L214 HydrophobicContact CE-CD2 3.76Å; M146-A217 HydrophobicContact CE-CB 3.53Å; M146-A217 HydrophobicContact CG-CB 4.41Å
147L87.6Confident81.5Confident0 Ų070.4 Ų70.40%038%0.377CS..Hα-helixtrans-70.9-40.2-178.4-65.5-179.7000111.7Y90 L92 V96 R97 L101 S144 D145 K149 L150 A151Y90-L147 HydrophobicContact CD1-CB 3.78Å; Y90-L147 HydrophobicContact CD2-CB 4.27Å; Y90-L147 HydrophobicContact CD2-CD1 4.02Å; Y90-L147 HydrophobicContact CE1-CB 3.82Å; Y90-L147 HydrophobicContact CE2-CB 4.33Å; Y90-L147 HydrophobicContact CE2-CD1 3.77Å; Y90-L147 HydrophobicContact CG-CB 4.01Å; L92-L147 HydrophobicContact CD1-CB 4.32Å; L92-L147 HydrophobicContact CD1-CD2 3.83Å; V96-L147 HydrophobicContact CG1-CD2 4.14Å; V96-L147 WeakPolarHBondContact O-CD2 3.4Å; R97-L147 HydrophobicContact CB-CD1 4.42Å; R97-L147 HydrophobicContact CG-CD1 3.93Å; L101-L147 HydrophobicContact CD2-CD1 4.19Å; L101-L147 HydrophobicContact CG-CD1 3.93Å; S144-L147 PolarHBondContact O-N 3.1Å; S144-L147 VanDerWaalsContact O-N 3.12Å; S144-L147 WeakPolarHBondContact OG-CD1 3.4Å; S144-L147 WeakPolarHBondContact OG-CG 3.43Å; D145-L147 PolarHBondContact O-N 3.48Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 2.92Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.32Å
148L88.4Confident82.3Confident99 Ų9975.2 Ų75.252%0.51840%0.397SS..Hα-helixtrans-61.4-39174.9-72.5169.2000112.2Y90 S144 D145 L150 A151Y90-L148 HydrophobicContact CD1-CD2 4.34Å; Y90-L148 HydrophobicContact CE1-CD2 4Å; Y90-L148 HydrophobicContact CE1-CG 4.16Å; S144-L148 PolarHBondContact O-N 3.41Å; D145-L148 PolarHBondContact O-N 3.21Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 3.08Å
149K87Confident83.4Confident90 Ų9078.9 Ų78.939%0.39141%0.406SS..Hα-helixtrans-67.8-32.7177-75.5168.8175.9165.50113.2D145 M146 L147 M220D145-K149 WeakPolarHBondContact O-CB 3.25Å; D145-K149 VanDerWaalsContact O-CG 3.28Å; D145-K149 WeakPolarHBondContact O-CG 3.26Å; D145-K149 PolarHBondContact O-N 2.97Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 WeakPolarHBondContact OD2-CE 3.35Å; D145-K149 IonicContact OD2-NZ 3.09Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å; M146-K149 PolarHBondContact O-N 3.14Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.42Å; K149-M220 HydrophobicContact CB-CE 4.4Å; K149-M220 HydrophobicContact CB-SD 4.1Å
150L88.9Confident84.5Confident18 Ų1870.2 Ų70.29%0.09437%0.369CS..Hα-helixtrans-84.5-25177.8-70.1165.4000112.8L92 V96 M146 L147 L148 A217 M220L92-L150 HydrophobicContact CD1-CB 3.87Å; L92-L150 HydrophobicContact CD2-CB 4.17Å; V96-L150 HydrophobicContact CG1-CD1 3.88Å; M146-L150 HydrophobicContact CE-CD1 4.12Å; M146-L150 HydrophobicContact CG-CD1 4.07Å; M146-L150 WeakPolarHBondContact O-CG 3.44Å; M146-L150 PolarHBondContact O-N 2.98Å; M146-L150 VanDerWaalsContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 2.92Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L150-A217 HydrophobicContact CD1-CB 3.84Å; L150-A217 HydrophobicContact CD2-CB 4.23Å; L150-A217 HydrophobicContact CG-CB 4.45Å; L150-M220 HydrophobicContact CD2-CE 3.37Å; L150-M220 HydrophobicContact CG-CE 3.91Å
151A90.9Very high85.7Confident29 Ų2974.1 Ų74.124%0.2438%0.379CS..SBendtrans-60.4142-177.500000111.7Y90 L147 L148Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.2Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.32Å; L148-A151 PolarHBondContact O-N 3.08Å
152R88.6Confident86.9Confident145 Ų14571.4 Ų71.455%0.54736%0.363SS..  trans-93.6123.9176-66.1178.263.5118.78.9109.2
153T88.4Confident87.9Confident144 Ų14472.4 Ų72.488%0.88336%0.358SS*.SBendtrans-76.8-29.6172.655.20000112.5
154T90.1Very high88.7Confident86 Ų8669.7 Ų69.753%0.52834%0.339SS..SBendtrans-96.6137.1-178.858.10000112.2Y156T154-Y156 PolarHBondContact O-N 3.13Å
155P89.1Confident89.3Confident56 Ų5668.8 Ų68.836%0.36433%0.332SS..  trans-67.3136.1-179.827-33.9000111.7T26 Y157T26-P155 HydrophobicContact CG2-CB 3.83Å; P155-Y157 HydrophobicContact CB-CD1 4.36Å; P155-Y157 HydrophobicContact CB-CE1 3.77Å; P155-Y157 HydrophobicContact CB-CE2 4.1Å; P155-Y157 HydrophobicContact CG-CD2 4.46Å; P155-Y157 HydrophobicContact CG-CE1 4.16Å; P155-Y157 HydrophobicContact CG-CE2 3.66Å; P155-Y157 VanDerWaalsContact CG-CZ 3.48Å; P155-Y157 WeakPolarHBondContact CG-OH 3.49Å; P155-Y157 PolarHBondContact O-N 3.15Å
156Y89.6Confident89.8Confident90 Ų9069.3 Ų69.335%0.35334%0.341SS..  trans-9676.1-179.5-171.2-118.2000112.2T154 K158 R159T154-Y156 PolarHBondContact O-N 3.13Å; Y156-K158 HydrophobicContact CD1-CB 4.44Å; Y156-K158 HydrophobicContact CD2-CB 4.3Å; Y156-K158 HydrophobicContact CD2-CG 4.49Å; Y156-K158 HydrophobicContact CE1-CB 3.9Å; Y156-K158 HydrophobicContact CE2-CB 3.75Å; Y156-K158 HydrophobicContact CE2-CD 3.72Å; Y156-K158 HydrophobicContact CE2-CG 3.89Å; Y156-K158 PolarHBondContact O-N 2.9Å; Y156-K158 VanDerWaalsContact O-N 3.15Å; Y156-R159 HydrophobicContact CD1-CB 4.3Å; Y156-R159 PolarHBondContact O-N 3.39Å
157Y90.6Very high90.2Very high69 Ų6971 Ų7127%0.27135%0.347SS..G310 helixtrans-66.5-13.5-177.6-59.9-50.9000114.8E30 P155 R159 N160E30-Y157 HydrophobicContact CB-CD2 4.41Å; E30-Y157 HydrophobicContact CB-CE1 4.29Å; E30-Y157 HydrophobicContact CB-CE2 3.85Å; P155-Y157 HydrophobicContact CB-CD1 4.36Å; P155-Y157 HydrophobicContact CB-CE1 3.77Å; P155-Y157 HydrophobicContact CB-CE2 4.1Å; P155-Y157 HydrophobicContact CG-CD2 4.46Å; P155-Y157 HydrophobicContact CG-CE1 4.16Å; P155-Y157 HydrophobicContact CG-CE2 3.66Å; P155-Y157 VanDerWaalsContact CG-CZ 3.48Å; P155-Y157 WeakPolarHBondContact CG-OH 3.49Å; P155-Y157 PolarHBondContact O-N 3.15Å; Y157-R159 PolarHBondContact O-N 3.49Å; Y157-N160 WeakPolarHBondContact O-CB 3.5Å; Y157-N160 PolarHBondContact O-N 3.43Å
158K88.8Confident90.5Very high115 Ų11576 Ų7650%0.537%0.365SS..G310 helixtrans-56.7-24.7172.3-65.9-169.7-176.2177.70112.4Y156 N160 R161Y156-K158 HydrophobicContact CD1-CB 4.44Å; Y156-K158 HydrophobicContact CD2-CB 4.3Å; Y156-K158 HydrophobicContact CD2-CG 4.49Å; Y156-K158 HydrophobicContact CE1-CB 3.9Å; Y156-K158 HydrophobicContact CE2-CB 3.75Å; Y156-K158 HydrophobicContact CE2-CD 3.72Å; Y156-K158 HydrophobicContact CE2-CG 3.89Å; Y156-K158 PolarHBondContact O-N 2.9Å; Y156-K158 VanDerWaalsContact O-N 3.15Å; K158-N160 VanDerWaalsContact C-N 3.26Å; K158-N160 PolarHBondContact O-N 3.39Å; K158-R161 VanDerWaalsContact O-CB 3.32Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 WeakPolarHBondContact O-CG 3.35Å; K158-R161 PolarHBondContact O-N 3.2Å
159R87.8Confident90.7Very high92 Ų9274.9 Ų74.935%0.34736%0.363SS..G310 helixtrans-64.8-26.6173.6-174.8-178.2-62.8165.96.8113.7C84 L86 Y156 Y157 R161C84-R159 PolarHBondContact SG-NH1 3.17Å; L86-R159 VanDerWaalsContact CD1-NH1 3.28Å; Y156-R159 HydrophobicContact CD1-CB 4.3Å; Y156-R159 PolarHBondContact O-N 3.39Å; Y157-R159 PolarHBondContact O-N 3.49Å; R159-R161 VanDerWaalsContact C-N 3.3Å
160N90.7Very high91Very high4 Ų477.9 Ų77.92%0.02138%0.376CS..G310 helixtrans-87.9-4.3-176.9-60.6-17.4000112.8T26 P59 M63 R64 K66 Y157 K158T26-N160 PolarHBondContact O-ND2 3.24Å; T26-N160 PolarHBondContact O-OD1 3.21Å; P59-N160 HydrophobicContact CB-CB 4.28Å; P59-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact CB-CB 4.34Å; M63-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact SD-CB 3.66Å; R64-N160 PolarHBondContact N-O 2.79Å; K66-N160 WeakPolarHBondContact CD-OD1 3.42Å; K66-N160 PolarHBondContact NZ-OD1 3.28Å; Y157-N160 WeakPolarHBondContact O-CB 3.5Å; Y157-N160 PolarHBondContact O-N 3.43Å; K158-N160 VanDerWaalsContact C-N 3.26Å; K158-N160 PolarHBondContact O-N 3.39Å
161R91.6Very high91.2Very high103 Ų10380.3 Ų80.339%0.38941%0.405SS..SBendtrans-59146.5176.3-73.4-176.9178.5-169.5-5.5110.4K158 R159 R182K158-R161 VanDerWaalsContact O-CB 3.32Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 WeakPolarHBondContact O-CG 3.35Å; K158-R161 PolarHBondContact O-N 3.2Å; R159-R161 VanDerWaalsContact C-N 3.3Å; R161-R182 VanDerWaalsContact CD-CZ 3.41Å; R161-R182 VanDerWaalsContact NH1-NH2 3.14Å
162P92.6Very high91.3Very high16 Ų1684.9 Ų84.910%0.10442%0.421CS..PPolyproline II helixtrans-64.6161175.925.7-30.2000111.3R62 R64 P180 R182R62-P162 WeakPolarHBondContact O-CD 3.25Å; R64-P162 HydrophobicContact CB-CB 3.97Å; P162-P180 WeakPolarHBondContact CB-O 3.5Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.35Å; P162-R182 HydrophobicContact CG-CG 4.04Å; P162-R182 WeakPolarHBondContact O-CD 3.39Å
163H91.5Very high91.5Very high105 Ų10579.3 Ų79.349%0.48640%0.404SS..PPolyproline II helixtrans-63.7158.8175.3-67.8-40.7000110.7R64 Y181 R182R64-H163 PolarHBondContact NH1-CE1 3.38Å; R64-H163 PolarHBondContact NH1-NE2 3.05Å; H163-Y181 HydrophobicContact CB-CD1 4.2Å; H163-Y181 WeakPolarHBondContact O-CB 3.44Å; H163-R182 PolarHBondContact O-N 3.12Å
164I92.3Very high91.7Very high52 Ų5282.6 Ų82.627%0.26741%0.406SS..BIsolated β-bridgetrans-65.6138.7172-59.9114.3000109.2S166 V169 E184 P186I164-S166 PolarHBondContact O-N 3.49Å; I164-V169 HydrophobicContact CG2-CG2 3.59Å; I164-E184 HydrophobicContact CG1-CG 3.94Å; I164-E184 WeakPolarHBondContact CG2-O 3.49Å; I164-P186 HydrophobicContact CB-CG 4.5Å; I164-P186 HydrophobicContact CD1-CB 4.12Å; I164-P186 HydrophobicContact CG2-CG 3.99Å
165C93.9Very high91.8Very high2 Ų283.4 Ų83.41%0.01440%0.399CS..  trans-70.4110.3177.1-173.60000109.9F167 W168 V169 R182C165-F167 PolarHBondContact O-N 3.42Å; C165-W168 HydrophobicContact CB-CB 3.7Å; C165-W168 PolarHBondContact O-N 3.36Å; C165-V169 WeakPolarHBondContact O-CG2 3.34Å; C165-V169 PolarHBondContact O-N 3.24Å; C165-V169 VanDerWaalsContact O-N 3.1Å; C165-R182 WeakPolarHBondContact CB-O 3.34Å; C165-R182 PolarHBondContact N-O 3.35Å
166S92.1Very high91.7Very high72 Ų7282.6 Ų82.650%0.50340%0.401SS..Hα-helixtrans-58.2-35.5176.653.70000112.8I164 W168 V169 K170I164-S166 PolarHBondContact O-N 3.49Å; S166-W168 VanDerWaalsContact C-N 3.35Å; S166-V169 PolarHBondContact O-N 2.87Å; S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.32Å
167F93.7Very high91.7Very high105 Ų10588.1 Ų88.146%0.46143%0.43SS..Hα-helixtrans-68.3-33.6175.9-65.6-81.4000112.6C165 K170 G171 E172 C173C165-F167 PolarHBondContact O-N 3.42Å; F167-K170 PolarHBondContact O-N 3.32Å; F167-G171 PolarHBondContact O-N 3.18Å; F167-G171 VanDerWaalsContact O-N 3.09Å; F167-E172 PolarHBondContact O-N 3.39Å; F167-C173 HydrophobicContact CB-CB 4.12Å; F167-C173 PolarHBondContact O-N 3.49Å
168W94.3Very high91.7Very high104 Ų10493.1 Ų93.139%0.39446%0.456SS..Hα-helixtrans-71.6-39.5177-177.785.5000111.1C165 S166 K170 G171 C173 H183 E184C165-W168 HydrophobicContact CB-CB 3.7Å; C165-W168 PolarHBondContact O-N 3.36Å; S166-W168 VanDerWaalsContact C-N 3.35Å; W168-K170 PolarHBondContact O-N 2.95Å; W168-G171 PolarHBondContact O-N 2.89Å; W168-C173 HydrophobicContact CB-CB 3.88Å; W168-H183 WeakPolarHBondContact CB-CD2 3.26Å; W168-H183 AromaticContact CD1-CD2 3.51Å; W168-H183 AromaticContact CD1-CE1 3.96Å; W168-H183 AromaticContact CD1-CG 3.38Å; W168-H183 AromaticContact CD1-ND1 3.69Å; W168-H183 AromaticContact CD1-NE2 3.88Å; W168-H183 HydrophobicContact CD2-CB 3.83Å; W168-H183 HydrophobicContact CG-CB 3.85Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.61Å; W168-H183 AromaticContact CG-NE2 3.99Å; W168-H183 HydrophobicContact CZ2-CB 4.31Å; W168-H183 AromaticContact NE1-CG 3.78Å; W168-E184 VanDerWaalsContact CZ3-O 3.25Å; W168-E184 WeakPolarHBondContact CZ3-O 3.33Å
169V92.7Very high91.8Very high76 Ų7688.3 Ų88.346%0.46144%0.437SS..Hα-helixtrans-59.8-33.3173.9178.40000111.5I164 C165 S166 P186I164-V169 HydrophobicContact CG2-CG2 3.59Å; C165-V169 WeakPolarHBondContact O-CG2 3.34Å; C165-V169 PolarHBondContact O-N 3.24Å; C165-V169 VanDerWaalsContact O-N 3.1Å; S166-V169 PolarHBondContact O-N 2.87Å; V169-P186 HydrophobicContact CG1-CG 4.24Å; V169-P186 HydrophobicContact CG2-CG 3.55Å
170K93.3Very high91.8Very high153 Ų15388 Ų8867%0.66545%0.447SS*.THydrogen-bonded Turntrans-81.4-10.9173.4-66.6177.9-179.9-171.60114.4S166 F167 W168 E172S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.32Å; F167-K170 PolarHBondContact O-N 3.32Å; W168-K170 PolarHBondContact O-N 2.95Å; K170-E172 HydrophobicContact CB-CG 4.49Å
171G91.8Very high91.9Very high68 Ų6892.9 Ų92.970%0.70147%0.466SS*.THydrogen-bonded Turntrans83.27.1-174.900000115.8F167 W168F167-G171 PolarHBondContact O-N 3.18Å; F167-G171 VanDerWaalsContact O-N 3.09Å; W168-G171 PolarHBondContact O-N 2.89Å
172E93.5Very high91.9Very high126 Ų12690.9 Ų90.959%0.58946%0.458SS*.  trans-105.610.9-172.7-62.4179.1162.600114F167 K170 K174F167-E172 PolarHBondContact O-N 3.39Å; K170-E172 HydrophobicContact CB-CG 4.49Å; E172-K174 PolarHBondContact O-N 3.18Å
173C92.8Very high91.9Very high27 Ų2793.3 Ų93.318%0.18247%0.468CS..  trans-72.697.9-176.5-169.40000112.3F167 W168 R175 H183F167-C173 HydrophobicContact CB-CB 4.12Å; F167-C173 PolarHBondContact O-N 3.49Å; W168-C173 HydrophobicContact CB-CB 3.88Å; C173-R175 VanDerWaalsContact C-N 3.28Å; C173-R175 PolarHBondContact O-N 2.93Å; C173-H183 PolarHBondContact SG-NE2 3.44Å
174K93.3Very high91.9Very high213 Ų21391.3 Ų91.393%0.92646%0.459SS*.THydrogen-bonded Turntrans-76.1-8.2176.6-61.7-174.8-179.1-1780115.1E172E172-K174 PolarHBondContact O-N 3.18Å
175R91Very high91.7Very high104 Ų10495.8 Ų95.839%0.39248%0.476SS..THydrogen-bonded Turntrans-81.3-12.9-176.7-67.4-176.6-65.1-164.6-4.7114C173 E177 E178 C179 Y181C173-R175 VanDerWaalsContact C-N 3.28Å; C173-R175 PolarHBondContact O-N 2.93Å; R175-E177 PolarHBondContact O-N 3.29Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.28Å; R175-E178 VanDerWaalsContact O-N 3.07Å; R175-C179 HydrophobicContact CB-CB 3.85Å; R175-C179 PolarHBondContact NH2-SG 2.89Å; R175-Y181 VanDerWaalsContact NH2-CD2 3.28Å
176G88.5Confident91.4Very high39 Ų3998 Ų9840%0.40249%0.491SS..G310 helixtrans51-130.6179.800000112.8E178 C179 H183G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.69Å; G176-C179 VanDerWaalsContact O-CB 3.28Å; G176-C179 WeakPolarHBondContact O-CB 3.4Å; G176-C179 PolarHBondContact O-N 2.68Å; G176-H183 PolarHBondContact O-CE1 3.03Å
177E88.2Confident91.1Very high205 Ų20598.8 Ų98.896%0.95849%0.493SS*.G310 helixtrans-72.2-16.9-179.1-58.7-167.1159.800114.5R175 C179R175-E177 PolarHBondContact O-N 3.29Å; E177-C179 PolarHBondContact O-N 2.94Å
178E90.9Very high90.6Very high175 Ų17597.8 Ų97.882%0.81849%0.492SS*.G310 helixtrans-78.6-8.9175.9-161.4-175.9173.300112R175 G176 P180R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.28Å; R175-E178 VanDerWaalsContact O-N 3.07Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.69Å; E178-P180 VanDerWaalsContact O-CD 3.28Å; E178-P180 WeakPolarHBondContact O-CD 3.37Å
179C90.6Very high90Very high14 Ų1497.8 Ų97.810%0.09551%0.505CS..  trans-61.5119.6179.3-1690000110.9R175 G176 E177 Y181 H183R175-C179 HydrophobicContact CB-CB 3.85Å; R175-C179 PolarHBondContact NH2-SG 2.89Å; G176-C179 VanDerWaalsContact O-CB 3.28Å; G176-C179 WeakPolarHBondContact O-CB 3.4Å; G176-C179 PolarHBondContact O-N 2.68Å; E177-C179 PolarHBondContact O-N 2.94Å; C179-Y181 PolarHBondContact O-N 3.39Å; C179-Y181 VanDerWaalsContact O-N 3.09Å; C179-H183 WeakPolarHBondContact CB-NE2 3.5Å; C179-H183 PolarHBondContact SG-NE2 3.43Å; C179-H183 VanDerWaalsContact SG-NE2 3.36Å
180P89.1Confident89.5Confident85 Ų85101.3 Ų101.355%0.55252%0.521SS*.SBendtrans-72.7-2.7179.529.5-35.3000113.4P162 E178P162-P180 WeakPolarHBondContact CB-O 3.5Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.35Å; E178-P180 VanDerWaalsContact O-CD 3.28Å; E178-P180 WeakPolarHBondContact O-CD 3.37Å
181Y92.2Very high89Confident107 Ų10796.4 Ų96.442%0.4250%0.503SS..SBendtrans-103157.4179.5-62.4-86.8000110.3H163 R175 C179H163-Y181 HydrophobicContact CB-CD1 4.2Å; H163-Y181 WeakPolarHBondContact O-CB 3.44Å; R175-Y181 VanDerWaalsContact NH2-CD2 3.28Å; C179-Y181 PolarHBondContact O-N 3.39Å; C179-Y181 VanDerWaalsContact O-N 3.09Å
182R91.7Very high88.4Confident61 Ų6197.7 Ų97.723%0.2350%0.499CS..BIsolated β-bridgetrans-76.4139.1-178.9-78156.180.3-162.54.5112.3R161 P162 H163 C165 E184R161-R182 VanDerWaalsContact CD-CZ 3.41Å; R161-R182 VanDerWaalsContact NH1-NH2 3.14Å; P162-R182 HydrophobicContact CG-CG 4.04Å; P162-R182 WeakPolarHBondContact O-CD 3.39Å; H163-R182 PolarHBondContact O-N 3.12Å; C165-R182 WeakPolarHBondContact CB-O 3.34Å; C165-R182 PolarHBondContact N-O 3.35Å; R182-E184 HydrophobicContact CB-CG 3.97Å; R182-E184 IonicContact CZ-OE1 3.85Å; R182-E184 IonicContact CZ-OE2 2.67Å; R182-E184 IonicContact NE-OE1 2.69Å; R182-E184 PolarHBondContact NE-OE1 3.01Å; R182-E184 IonicContact NE-OE2 3.06Å; R182-E184 PolarHBondContact NE-OE2 3.43Å; R182-E184 IonicContact NH1-OE1 2.69Å; R182-E184 PolarHBondContact NH1-OE1 2.68Å; R182-E184 IonicContact NH2-OE1 3.12Å; R182-E184 PolarHBondContact NH2-OE1 2.95Å; R182-E184 IonicContact NH2-OE2 2.62Å; R182-E184 PolarHBondContact NH2-OE2 3.36Å
183H93.1Very high87.7Confident66 Ų6694.6 Ų94.631%0.30649%0.486SS..  trans-10176.2171.6-68.7172.1000108.9W168 C173 G176 C179W168-H183 WeakPolarHBondContact CB-CD2 3.26Å; W168-H183 AromaticContact CD1-CD2 3.51Å; W168-H183 AromaticContact CD1-CE1 3.96Å; W168-H183 AromaticContact CD1-CG 3.38Å; W168-H183 AromaticContact CD1-ND1 3.69Å; W168-H183 AromaticContact CD1-NE2 3.88Å; W168-H183 HydrophobicContact CD2-CB 3.83Å; W168-H183 HydrophobicContact CG-CB 3.85Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.61Å; W168-H183 AromaticContact CG-NE2 3.99Å; W168-H183 HydrophobicContact CZ2-CB 4.31Å; W168-H183 AromaticContact NE1-CG 3.78Å; C173-H183 PolarHBondContact SG-NE2 3.44Å; G176-H183 PolarHBondContact O-CE1 3.03Å; C179-H183 WeakPolarHBondContact CB-NE2 3.5Å; C179-H183 PolarHBondContact SG-NE2 3.43Å; C179-H183 VanDerWaalsContact SG-NE2 3.36Å
184E90.3Very high86.8Confident64 Ų6495.3 Ų95.330%0.29949%0.493SS..SBendtrans-147.3159.9179.165.4-179.5-157.100109.5I164 W168 R182I164-E184 HydrophobicContact CG1-CG 3.94Å; I164-E184 WeakPolarHBondContact CG2-O 3.49Å; W168-E184 VanDerWaalsContact CZ3-O 3.25Å; W168-E184 WeakPolarHBondContact CZ3-O 3.33Å; R182-E184 HydrophobicContact CB-CG 3.97Å; R182-E184 IonicContact CZ-OE1 3.85Å; R182-E184 IonicContact CZ-OE2 2.67Å; R182-E184 IonicContact NE-OE1 2.69Å; R182-E184 PolarHBondContact NE-OE1 3.01Å; R182-E184 IonicContact NE-OE2 3.06Å; R182-E184 PolarHBondContact NE-OE2 3.43Å; R182-E184 IonicContact NH1-OE1 2.69Å; R182-E184 PolarHBondContact NH1-OE1 2.68Å; R182-E184 IonicContact NH2-OE1 3.12Å; R182-E184 PolarHBondContact NH2-OE1 2.95Å; R182-E184 IonicContact NH2-OE2 2.62Å; R182-E184 PolarHBondContact NH2-OE2 3.36Å
185K89Confident85.7Confident146 Ų14691.8 Ų91.864%0.63549%0.485SS*.PPolyproline II helixtrans-62.6127.9177.5-166.2-173.3171.9-158.30109.7D188K185-D188 VanDerWaalsContact CE-OD1 3.31Å; K185-D188 WeakPolarHBondContact CE-OD1 3.39Å; K185-D188 IonicContact NZ-OD1 2.72Å; K185-D188 PolarHBondContact NZ-OD1 2.6Å; K185-D188 IonicContact NZ-OD2 3.64Å
186P88.1Confident85.1Confident49 Ų4989.7 Ų89.732%0.31848%0.479SS..PPolyproline II helixtrans-55.7157.6169.2-2231.7000111.7I164 V169 D188I164-P186 HydrophobicContact CB-CG 4.5Å; I164-P186 HydrophobicContact CD1-CB 4.12Å; I164-P186 HydrophobicContact CG2-CG 3.99Å; V169-P186 HydrophobicContact CG1-CG 4.24Å; V169-P186 HydrophobicContact CG2-CG 3.55Å; P186-D188 PolarHBondContact O-N 3.44Å
187T84.8Confident85Confident88 Ų8891.6 Ų91.654%0.5448%0.48SS..PPolyproline II helixtrans-56.5136.6165.7-57.10000109.1D191T187-D191 HydrophobicContact CG2-CB 3.81Å
188D83.3Confident85Confident83 Ų8384.7 Ų84.744%0.44445%0.449SS..PPolyproline II helixtrans-60.8136.9179.1-63.5-56.8000109.6K185 P186 D190 D191K185-D188 VanDerWaalsContact CE-OD1 3.31Å; K185-D188 WeakPolarHBondContact CE-OD1 3.39Å; K185-D188 IonicContact NZ-OD1 2.72Å; K185-D188 PolarHBondContact NZ-OD1 2.6Å; K185-D188 IonicContact NZ-OD2 3.64Å; P186-D188 PolarHBondContact O-N 3.44Å; D188-D190 PolarHBondContact O-N 3.36Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D188-D191 WeakPolarHBondContact O-CB 3.48Å; D188-D191 PolarHBondContact O-N 3.26Å
189P81.5Confident84.9Confident104 Ų10481.2 Ų81.268%0.67543%0.431SS*.THydrogen-bonded Turntrans-63-21.3-177.426.6-35.1000112.8D191P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 PolarHBondContact O-N 3.45Å
190D81.6Confident84.8Confident150 Ų15082.8 Ų82.880%0.80244%0.439SS*.THydrogen-bonded Turntrans-76-12.6176.3-55.7-45.9000113.1D188 P192D188-D190 PolarHBondContact O-N 3.36Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D190-P192 WeakPolarHBondContact O-CD 3.45Å
191D83.5Confident84.8Confident51 Ų5181.1 Ų81.127%0.27342%0.422SS..SBendtrans-71.5118.2172.1-171.6-5.2000107.9T187 D188 P189 L193 A194T187-D191 HydrophobicContact CG2-CB 3.81Å; D188-D191 WeakPolarHBondContact O-CB 3.48Å; D188-D191 PolarHBondContact O-N 3.26Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 PolarHBondContact O-N 3.45Å; D191-L193 PolarHBondContact O-N 2.77Å; D191-L193 WeakPolarHBondContact OD1-CB 3.21Å; D191-L193 PolarHBondContact OD1-N 2.75Å; D191-L193 VanDerWaalsContact OD1-N 3.15Å; D191-A194 VanDerWaalsContact O-CB 3.28Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.8Å
192P78.9Confident84.8Confident95 Ų9576 Ų7662%0.61740%0.402SS*.THydrogen-bonded Turntrans-56.8-17.4177.424.4-36.1000112.3D190 A194 P208D190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 2.66Å; P192-P208 HydrophobicContact CB-CB 4.22Å; P192-P208 WeakPolarHBondContact O-CG 3.15Å
193L80.2Confident84.7Confident61 Ų6174.7 Ų74.732%0.31940%0.397SS..THydrogen-bonded Turntrans-73.4-12.1175.3-151.964.8000114.7D191 Q196 V209D191-L193 PolarHBondContact O-N 2.77Å; D191-L193 WeakPolarHBondContact OD1-CB 3.21Å; D191-L193 PolarHBondContact OD1-N 2.75Å; D191-L193 VanDerWaalsContact OD1-N 3.15Å; L193-Q196 VanDerWaalsContact O-CG 3.26Å; L193-Q196 WeakPolarHBondContact O-CG 3.26Å; L193-V209 HydrophobicContact CD1-CB 4.07Å; L193-V209 HydrophobicContact CD1-CG2 3.33Å; L193-V209 HydrophobicContact CG-CG2 4.4Å
194A72.9Confident84.4Confident41 Ų4172.2 Ų72.234%0.33939%0.39SS..SBendtrans-72.6-40.5-177.200000112.1D191 P192 Q196D191-A194 VanDerWaalsContact O-CB 3.28Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.8Å; P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 2.66Å; A194-Q196 PolarHBondContact O-N 2.57Å
195D71Confident84.2Confident139 Ų13971.7 Ų71.774%0.74339%0.388SS*.  trans-86.198.7179.5-71.6-29.1000110.7
196Q78.1Confident84Confident61 Ų6171.1 Ų71.129%0.28539%0.392SS..  trans-118.984.9-176.9-68.2-72.4-56.300110.4L193 A194 I198L193-Q196 VanDerWaalsContact O-CG 3.26Å; L193-Q196 WeakPolarHBondContact O-CG 3.26Å; A194-Q196 PolarHBondContact O-N 2.57Å; Q196-I198 PolarHBondContact O-N 3.27Å
197N86.8Confident83.9Confident79 Ų7968.9 Ų68.942%0.42238%0.377SS..  trans-73127.5174.3-176-1.2000110.9K199 D200 R201N197-K199 VanDerWaalsContact C-N 3.27Å; N197-K199 PolarHBondContact O-N 3.07Å; N197-K199 PolarHBondContact OD1-N 3.35Å; N197-K199 VanDerWaalsContact OD1-N 3.13Å; N197-D200 HydrophobicContact CB-CB 4.08Å; N197-D200 WeakPolarHBondContact CB-OD2 3.32Å; N197-D200 PolarHBondContact ND2-OD2 3.02Å; N197-D200 PolarHBondContact O-N 3.19Å; N197-R201 WeakPolarHBondContact O-CG 3.33Å; N197-R201 PolarHBondContact O-N 3.02Å
198I87.2Confident84.1Confident59 Ų5966.1 Ų66.130%0.30336%0.361SS..Hα-helixtrans-60.4-37.7-178.8-63.6179.5000111.3K46 L85 Q196 Y202K46-I198 HydrophobicContact CB-CG2 4.02Å; L85-I198 HydrophobicContact CD1-CG2 3.49Å; L85-I198 VanDerWaalsContact CD1-CG2 3.49Å; L85-I198 WeakPolarHBondContact CD1-O 3.08Å; Q196-I198 PolarHBondContact O-N 3.27Å; I198-Y202 WeakPolarHBondContact O-CB 3.46Å; I198-Y202 PolarHBondContact O-N 3.49Å
199K88.2Confident84.3Confident102 Ų10264 Ų6444%0.44335%0.351SS..Hα-helixtrans-68-46.1-178.9-68.1-177.9179.2179.70111.1K46 I47 N197 R201 Y202 Y203K46-K199 WeakPolarHBondContact O-CE 3.31Å; I47-K199 HydrophobicContact CD1-CG 4.46Å; N197-K199 VanDerWaalsContact C-N 3.27Å; N197-K199 PolarHBondContact O-N 3.07Å; N197-K199 PolarHBondContact OD1-N 3.35Å; N197-K199 VanDerWaalsContact OD1-N 3.13Å; K199-R201 PolarHBondContact O-N 3.29Å; K199-Y202 WeakPolarHBondContact O-CB 3.43Å; K199-Y202 PolarHBondContact O-N 2.88Å; K199-Y203 HydrophobicContact CB-CD2 4.36Å; K199-Y203 HydrophobicContact CB-CE2 4.26Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 3.09Å
200D89.3Confident84.7Confident47 Ų4759.1 Ų59.125%0.25132%0.319SS..Hα-helixtrans-62.9-43.9-177.5-65.1-22.9000111.2N197 Y202 Y203 G204 I205N197-D200 HydrophobicContact CB-CB 4.08Å; N197-D200 WeakPolarHBondContact CB-OD2 3.32Å; N197-D200 PolarHBondContact ND2-OD2 3.02Å; N197-D200 PolarHBondContact O-N 3.19Å; D200-Y202 VanDerWaalsContact C-N 3.29Å; D200-Y202 PolarHBondContact O-N 2.87Å; D200-Y203 PolarHBondContact O-N 3.4Å; D200-G204 PolarHBondContact O-N 2.81Å; D200-I205 CarbonylContact C-O 3.39Å; D200-I205 HydrophobicContact CB-CG1 4.38Å; D200-I205 VanDerWaalsContact CB-O 3.3Å; D200-I205 WeakPolarHBondContact CB-O 3.44Å; D200-I205 PolarHBondContact O-N 3.05Å; D200-I205 VanDerWaalsContact O-N 3.1Å; D200-I205 VanDerWaalsContact O-O 3.13Å
201R90.2Very high85.2Confident50 Ų5055.7 Ų55.719%0.18930%0.301CS..Hα-helixtrans-61-33.6172.6-66-178.272.4-142.2-20.2113.9C84 L86 N197 K199 D207C84-R201 PolarHBondContact O-NH2 2.86Å; L86-R201 VanDerWaalsContact CD2-NH2 3.32Å; N197-R201 WeakPolarHBondContact O-CG 3.33Å; N197-R201 PolarHBondContact O-N 3.02Å; K199-R201 PolarHBondContact O-N 3.29Å; R201-D207 HydrophobicContact CG-CB 4.44Å; R201-D207 IonicContact NE-OD2 2.66Å
202Y91.5Very high85.5Confident0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-76.3-43.9179.6179.9-99.7000112.6I47 C74 K78 V80 L85 I94 M107 I198 K199 D200 G204I47-Y202 HydrophobicContact CB-CD1 4.26Å; I47-Y202 HydrophobicContact CB-CE1 4.16Å; I47-Y202 VanDerWaalsContact CD1-CB 3.49Å; I47-Y202 HydrophobicContact CD1-CD1 3.54Å; I47-Y202 HydrophobicContact CD1-CD2 4.2Å; I47-Y202 HydrophobicContact CD1-CE1 4.29Å; I47-Y202 HydrophobicContact CD1-CG 3.47Å; I47-Y202 VanDerWaalsContact CD1-CG 3.47Å; I47-Y202 HydrophobicContact CG1-CD1 3.64Å; I47-Y202 HydrophobicContact CG1-CD2 4Å; I47-Y202 HydrophobicContact CG1-CE1 3.89Å; I47-Y202 HydrophobicContact CG1-CE2 4.25Å; I47-Y202 HydrophobicContact CG1-CG 3.68Å; I47-Y202 HydrophobicContact CG2-CD1 3.61Å; I47-Y202 HydrophobicContact CG2-CE1 3.29Å; I47-Y202 HydrophobicContact CG2-CG 4.5Å; C74-Y202 HydrophobicContact CB-CE2 4.21Å; C74-Y202 WeakPolarHBondContact CB-OH 3.22Å; C74-Y202 PolarHBondContact O-OH 2.95Å; C74-Y202 VanDerWaalsContact O-OH 3.06Å; K78-Y202 HydrophobicContact CB-CE2 4.2Å; K78-Y202 HydrophobicContact CG-CE2 3.91Å; V80-Y202 HydrophobicContact CG2-CE2 4.42Å; L85-Y202 HydrophobicContact CD2-CD2 4.26Å; I94-Y202 HydrophobicContact CD1-CD2 4.23Å; I94-Y202 VanDerWaalsContact CD1-O 3.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.37Å; M107-Y202 HydrophobicContact CE-CD1 3.88Å; M107-Y202 HydrophobicContact CE-CE1 3.12Å; M107-Y202 HydrophobicContact SD-CE1 3.91Å; I198-Y202 WeakPolarHBondContact O-CB 3.46Å; I198-Y202 PolarHBondContact O-N 3.49Å; K199-Y202 WeakPolarHBondContact O-CB 3.43Å; K199-Y202 PolarHBondContact O-N 2.88Å; D200-Y202 VanDerWaalsContact C-N 3.29Å; D200-Y202 PolarHBondContact O-N 2.87Å; Y202-G204 PolarHBondContact O-N 3.17Å
203Y89.6Confident86.1Confident33 Ų3355.1 Ų55.113%0.12929%0.288CS..Hα-helixtrans-77.6-10.1177.4-65.5-64.9000112.9I47 M107 K114 K199 D200 I205I47-Y203 WeakPolarHBondContact CG2-OH 3.48Å; M107-Y203 HydrophobicContact CE-CD1 3.67Å; M107-Y203 HydrophobicContact CE-CE1 3.65Å; M107-Y203 HydrophobicContact CG-CE1 4.14Å; M107-Y203 HydrophobicContact SD-CE1 4.19Å; K114-Y203 VanDerWaalsContact CD-OH 3.24Å; K114-Y203 WeakPolarHBondContact CD-OH 3.31Å; K199-Y203 HydrophobicContact CB-CD2 4.36Å; K199-Y203 HydrophobicContact CB-CE2 4.26Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 3.09Å; D200-Y203 PolarHBondContact O-N 3.4Å; Y203-I205 VanDerWaalsContact C-N 3.33Å
204G85.8Confident86.7Confident15 Ų1554.4 Ų54.416%0.15528%0.284CS..THydrogen-bonded Turntrans70.531.1-179.900000113Q95 D200 Y202Q95-G204 WeakPolarHBondContact CG-O 3.29Å; D200-G204 PolarHBondContact O-N 2.81Å; Y202-G204 PolarHBondContact O-N 3.17Å
205I86.5Confident87.6Confident53 Ų5359.7 Ų59.727%0.27230%0.299SS..SBendtrans-113.7136.8176.361.5-177.4000108.4K109 D200 Y203 D207K109-I205 HydrophobicContact CD-CD1 4.49Å; D200-I205 CarbonylContact C-O 3.39Å; D200-I205 HydrophobicContact CB-CG1 4.38Å; D200-I205 VanDerWaalsContact CB-O 3.3Å; D200-I205 WeakPolarHBondContact CB-O 3.44Å; D200-I205 PolarHBondContact O-N 3.05Å; D200-I205 VanDerWaalsContact O-N 3.1Å; D200-I205 VanDerWaalsContact O-O 3.13Å; Y203-I205 VanDerWaalsContact C-N 3.33Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.88Å
206N84.3Confident88.6Confident134 Ų13460.2 Ų60.272%0.71729%0.291SS*.SBendtrans49.943.1174.8-56.9-21.3000114.2P208N206-P208 VanDerWaalsContact O-CD 3.28Å; N206-P208 WeakPolarHBondContact O-CD 3.48Å
207D85.9Confident89.1Confident1 Ų158.1 Ų58.11%0.00528%0.283CS..  trans-92.7106.8171.7-176.9-1.5000110R201 I205 V209 A210 D211R201-D207 HydrophobicContact CG-CB 4.44Å; R201-D207 IonicContact NE-OD2 2.66Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.88Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.22Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.44Å; D207-V209 PolarHBondContact OD1-N 3.22Å; D207-A210 HydrophobicContact CB-CB 3.8Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.29Å; D207-A210 WeakPolarHBondContact O-CB 3.4Å; D207-A210 PolarHBondContact O-N 3.04Å; D207-D211 PolarHBondContact O-N 3.1Å
208P89.1Confident89.3Confident30 Ų3058.3 Ų58.320%0.19529%0.291CS..Hα-helixtrans-68.8-20-177.926.9-32.2000112.3P192 N206 K212P192-P208 HydrophobicContact CB-CB 4.22Å; P192-P208 WeakPolarHBondContact O-CG 3.15Å; N206-P208 VanDerWaalsContact O-CD 3.28Å; N206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-K212 WeakPolarHBondContact O-CB 3.29Å; P208-K212 PolarHBondContact O-N 3.41Å; P208-K212 VanDerWaalsContact O-N 3.16Å
209V87.8Confident89.4Confident40 Ų4060.4 Ų60.424%0.24231%0.307CS..Hα-helixtrans-65.4-45.4168.7-174.40000109.1P93 L193 D207 K212 L213P93-V209 HydrophobicContact CG-CB 4.4Å; P93-V209 HydrophobicContact CG-CG1 3.95Å; L193-V209 HydrophobicContact CD1-CB 4.07Å; L193-V209 HydrophobicContact CD1-CG2 3.33Å; L193-V209 HydrophobicContact CG-CG2 4.4Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.22Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.44Å; D207-V209 PolarHBondContact OD1-N 3.22Å; V209-K212 PolarHBondContact O-N 3.05Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CD1 3.24Å; V209-L213 PolarHBondContact O-N 3.43Å; V209-L213 VanDerWaalsContact O-N 3.1Å
210A90.9Very high89.3Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-65.2-43.9-179.200000111.3P93 Q95 V96 D207 K212 L213 L214P93-A210 HydrophobicContact CB-CB 4.08Å; P93-A210 HydrophobicContact CG-CB 4.5Å; Q95-A210 HydrophobicContact CB-CB 3.69Å; Q95-A210 HydrophobicContact CG-CB 4.01Å; V96-A210 HydrophobicContact CG2-CB 3.64Å; D207-A210 HydrophobicContact CB-CB 3.8Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.29Å; D207-A210 WeakPolarHBondContact O-CB 3.4Å; D207-A210 PolarHBondContact O-N 3.04Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 3.36Å; A210-L213 CarbonylContact O-C 3.49Å; A210-L213 WeakPolarHBondContact O-CA 3.4Å; A210-L213 WeakPolarHBondContact O-CB 3.46Å; A210-L213 PolarHBondContact O-N 2.89Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.22Å
211D91.4Very high89.1Confident78 Ų7860.1 Ų60.142%0.41731%0.314SS..Hα-helixtrans-61.9-40.9178.3-63.9-25.2000111.8Q95 D207 L213 L214 K215Q95-D211 PolarHBondContact NE2-OD1 3.09Å; D207-D211 PolarHBondContact O-N 3.1Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.23Å; D211-L214 PolarHBondContact O-N 2.94Å; D211-K215 WeakPolarHBondContact O-CB 3.3Å; D211-K215 PolarHBondContact O-N 3.26Å
212K90.9Very high88.7Confident105 Ų10566.2 Ų66.246%0.45734%0.337SS..Hα-helixtrans-61.9-37.9173.6-179.7174-84.7171.50111.8P208 V209 A210 R216P208-K212 WeakPolarHBondContact O-CB 3.29Å; P208-K212 PolarHBondContact O-N 3.41Å; P208-K212 VanDerWaalsContact O-N 3.16Å; V209-K212 PolarHBondContact O-N 3.05Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 3.36Å; K212-R216 PolarHBondContact O-N 3.1Å
213L90.8Very high88.3Confident30 Ų3067.7 Ų67.716%0.15735%0.345CS..Hα-helixtrans-71.9-40.7177.1-97.764.8000112.3L92 P93 V96 V209 A210 D211 R216 A217L92-L213 HydrophobicContact CD2-CD2 3.76Å; P93-L213 HydrophobicContact CG-CD2 4.29Å; V96-L213 HydrophobicContact CG1-CB 4.48Å; V96-L213 HydrophobicContact CG2-CB 3.76Å; V96-L213 HydrophobicContact CG2-CD2 4.11Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CD1 3.24Å; V209-L213 PolarHBondContact O-N 3.43Å; V209-L213 VanDerWaalsContact O-N 3.1Å; A210-L213 CarbonylContact O-C 3.49Å; A210-L213 WeakPolarHBondContact O-CA 3.4Å; A210-L213 WeakPolarHBondContact O-CB 3.46Å; A210-L213 PolarHBondContact O-N 2.89Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.23Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.83Å; L213-A217 PolarHBondContact O-N 2.86Å
214L91.7Very high87.9Confident45 Ų4570.7 Ų70.724%0.23636%0.363CS..Hα-helixtrans-64.5-41.7175.1-71.1172.2000111.2V96 A99 M146 A210 D211 R216 A217 S218V96-L214 HydrophobicContact CG1-CD2 4.42Å; V96-L214 HydrophobicContact CG2-CG 4.39Å; A99-L214 HydrophobicContact CB-CD2 3.99Å; M146-L214 HydrophobicContact CE-CD2 3.76Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.22Å; D211-L214 PolarHBondContact O-N 2.94Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.36Å; L214-A217 WeakPolarHBondContact O-CA 3.48Å; L214-A217 VanDerWaalsContact O-CB 3.31Å; L214-A217 WeakPolarHBondContact O-CB 3.15Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.1Å; L214-S218 PolarHBondContact O-N 2.98Å
215K92.6Very high87.7Confident153 Ų15373.2 Ų73.267%0.66538%0.377SS*.Hα-helixtrans-61-39.8172.1-174.3173.6-177.9174.80111.9D211 A217 S218 T219D211-K215 WeakPolarHBondContact O-CB 3.3Å; D211-K215 PolarHBondContact O-N 3.26Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-S218 WeakPolarHBondContact CA-OG 3.46Å; K215-S218 PolarHBondContact O-N 3.25Å; K215-S218 PolarHBondContact O-OG 2.8Å; K215-T219 WeakPolarHBondContact O-CG2 3.37Å; K215-T219 PolarHBondContact O-N 3.23Å; K215-T219 PolarHBondContact O-OG1 2.71Å
216R91.8Very high87.5Confident150 Ų15071.7 Ų71.757%0.56637%0.37SS*.Hα-helixtrans-62.7-42.1173.2-178176.2-74.5163.3-3.5110.9K212 L213 L214 T219 M220K212-R216 PolarHBondContact O-N 3.1Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.83Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.36Å; R216-T219 WeakPolarHBondContact CA-OG1 3.18Å; R216-T219 PolarHBondContact O-N 3.15Å; R216-T219 PolarHBondContact O-OG1 2.91Å; R216-M220 HydrophobicContact CG-CE 4.34Å; R216-M220 WeakPolarHBondContact O-CG 3.34Å; R216-M220 PolarHBondContact O-N 3.07Å
217A90Very high87.4Confident16 Ų1674.2 Ų74.213%0.13238%0.378CS..Hα-helixtrans-62.8-41.317800000112.4M146 L150 L213 L214 K215 T219 M220M146-A217 HydrophobicContact CE-CB 3.53Å; M146-A217 HydrophobicContact CG-CB 4.41Å; L150-A217 HydrophobicContact CD1-CB 3.84Å; L150-A217 HydrophobicContact CD2-CB 4.23Å; L150-A217 HydrophobicContact CG-CB 4.45Å; L213-A217 PolarHBondContact O-N 2.86Å; L214-A217 WeakPolarHBondContact O-CA 3.48Å; L214-A217 VanDerWaalsContact O-CB 3.31Å; L214-A217 WeakPolarHBondContact O-CB 3.15Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.1Å; K215-A217 VanDerWaalsContact C-N 3.32Å; A217-T219 VanDerWaalsContact C-N 3.28Å; A217-T219 PolarHBondContact O-N 3.46Å; A217-M220 WeakPolarHBondContact O-CB 3.44Å; A217-M220 PolarHBondContact O-N 3.04Å; A217-M220 VanDerWaalsContact O-N 3.17Å
218S89.1Confident87.4Confident83 Ų8377.8 Ų77.858%0.5840%0.397SS*.Hα-helixtrans-66.9-28.9177.162.60000113.1L214 K215 M220L214-S218 PolarHBondContact O-N 2.98Å; K215-S218 WeakPolarHBondContact CA-OG 3.46Å; K215-S218 PolarHBondContact O-N 3.25Å; K215-S218 PolarHBondContact O-OG 2.8Å; S218-M220 VanDerWaalsContact C-N 3.34Å
219T90.4Very high87.1Confident103 Ų10384 Ų8463%0.63242%0.421SS*.THydrogen-bonded Turntrans-84.4-5.3175.5580000113.8K215 R216 A217K215-T219 WeakPolarHBondContact O-CG2 3.37Å; K215-T219 PolarHBondContact O-N 3.23Å; K215-T219 PolarHBondContact O-OG1 2.71Å; R216-T219 WeakPolarHBondContact CA-OG1 3.18Å; R216-T219 PolarHBondContact O-N 3.15Å; R216-T219 PolarHBondContact O-OG1 2.91Å; A217-T219 VanDerWaalsContact C-N 3.28Å; A217-T219 PolarHBondContact O-N 3.46Å
220M85.5Confident87Confident51 Ų5187.1 Ų87.125%0.25144%0.44SS..SBendtrans-65.2144.1177.7-73.3-176.3176.600110K149 L150 R216 A217 S218 R222K149-M220 HydrophobicContact CB-CE 4.4Å; K149-M220 HydrophobicContact CB-SD 4.1Å; L150-M220 HydrophobicContact CD2-CE 3.37Å; L150-M220 HydrophobicContact CG-CE 3.91Å; R216-M220 HydrophobicContact CG-CE 4.34Å; R216-M220 WeakPolarHBondContact O-CG 3.34Å; R216-M220 PolarHBondContact O-N 3.07Å; A217-M220 WeakPolarHBondContact O-CB 3.44Å; A217-M220 PolarHBondContact O-N 3.04Å; A217-M220 VanDerWaalsContact O-N 3.17Å; S218-M220 VanDerWaalsContact C-N 3.34Å; M220-R222 PolarHBondContact O-N 3.37Å
221P84.8Confident86.9Confident92 Ų9288.5 Ų88.560%0.59745%0.447SS*.  trans-58.7120.7174.125.6-33.1000108.1F288P221-F288 HydrophobicContact CB-CE1 4.21Å; P221-F288 HydrophobicContact CB-CZ 4.33Å; P221-F288 WeakPolarHBondContact O-CE1 3.48Å
222R83Confident86.8Confident179 Ų17985.6 Ų85.668%0.67543%0.433SS*.  trans-119156.3169.568.8-176.6-170.5-163.7-2.6108.1M220 D224M220-R222 PolarHBondContact O-N 3.37Å; R222-D224 IonicContact CZ-OD1 3.92Å; R222-D224 IonicContact NE-OD1 3.91Å; R222-D224 PolarHBondContact NE-OD1 3.44Å; R222-D224 IonicContact NH2-OD1 2.6Å; R222-D224 PolarHBondContact NH2-OD1 3.44Å; R222-D224 PolarHBondContact O-N 3.23Å
223L81.6Confident86.9Confident30 Ų3081.8 Ų81.816%0.15742%0.418CS..  trans-93.2100.8175.9-170.374.6000107.7A284 F288 W302L223-A284 HydrophobicContact CD2-CB 3.47Å; L223-A284 VanDerWaalsContact CD2-CB 3.47Å; L223-F288 HydrophobicContact CB-CD1 4.46Å; L223-F288 HydrophobicContact CB-CD2 3.97Å; L223-F288 HydrophobicContact CB-CE2 4.27Å; L223-F288 HydrophobicContact CB-CG 4.08Å; L223-F288 HydrophobicContact CD1-CD2 4.19Å; L223-F288 HydrophobicContact CD1-CE2 4.1Å; L223-F288 HydrophobicContact CD2-CD2 4.47Å; L223-F288 HydrophobicContact CG-CD2 4.44Å; L223-W302 HydrophobicContact CD2-CD2 4.42Å; L223-W302 HydrophobicContact CD2-CG 4.31Å; L223-W302 VanDerWaalsContact CD2-NE1 3.33Å; L223-W302 VanDerWaalsContact CG-CD1 3.48Å; L223-W302 HydrophobicContact CG-CG 4.48Å; L223-W302 VanDerWaalsContact CG-NE1 3.34Å
224D82.2Confident87Confident96 Ų9680.3 Ų80.351%0.51341%0.41SS..PPolyproline II helixtrans-67.1135.4175.2-59.6-53.6000109.2R222 W302R222-D224 IonicContact CZ-OD1 3.92Å; R222-D224 IonicContact NE-OD1 3.91Å; R222-D224 PolarHBondContact NE-OD1 3.44Å; R222-D224 IonicContact NH2-OD1 2.6Å; R222-D224 PolarHBondContact NH2-OD1 3.44Å; R222-D224 PolarHBondContact O-N 3.23Å; D224-W302 PolarHBondContact O-NE1 2.96Å
225P81.2Confident87.1Confident69 Ų6981.2 Ų81.245%0.44841%0.411SS..PPolyproline II helixtrans-64.3147.2179.327.1-34000110.5
226P82.5Confident87.1Confident21 Ų2174 Ų7414%0.13638%0.379CS..PPolyproline II helixtrans-66.2139179.227.5-33.5000110.1D228 I231 W302P226-D228 PolarHBondContact O-N 2.89Å; P226-I231 HydrophobicContact CB-CB 4.2Å; P226-I231 HydrophobicContact CB-CD1 4Å; P226-I231 HydrophobicContact CB-CG2 4.45Å; P226-I231 HydrophobicContact CG-CB 3.94Å; P226-I231 HydrophobicContact CG-CG2 4.14Å; P226-W302 VanDerWaalsContact CD-CD2 3.46Å; P226-W302 HydrophobicContact CG-CD2 3.95Å; P226-W302 HydrophobicContact CG-CE3 3.96Å; P226-W302 HydrophobicContact CG-CG 4.28Å; P226-W302 HydrophobicContact CG-CZ3 4.3Å
227E82.7Confident87.1Confident186 Ų18667 Ų6787%0.86935%0.354SS*.SBendtrans-55.9-42172.9-65.9-61.9158.700111K229E227-K229 PolarHBondContact O-N 3.39Å
228D85.8Confident87Confident77 Ų7768 Ų6841%0.41237%0.366SS..SBendtrans-76.1114.7176.9-171.8-11.1000111.1P226 T230 I231P226-D228 PolarHBondContact O-N 2.89Å; D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 WeakPolarHBondContact OD1-CB 3.5Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.38Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 3.31Å; D228-T230 PolarHBondContact OD2-OG1 3.26Å; D228-T230 VanDerWaalsContact OD2-OG1 3.12Å; D228-I231 HydrophobicContact CB-CD1 3.93Å; D228-I231 HydrophobicContact CB-CG1 4.07Å; D228-I231 PolarHBondContact O-N 2.78Å
229K83Confident86.9Confident159 Ų15964.1 Ų64.169%0.69134%0.339SS*.THydrogen-bonded Turntrans-69.9-13.8-177.6-45.8-146.2167.3171.30115E227 I231E227-K229 PolarHBondContact O-N 3.39Å; K229-I231 VanDerWaalsContact C-N 3.31Å
230T85.4Confident86.6Confident106 Ų10659.2 Ų59.265%0.6531%0.309SS*.THydrogen-bonded Turntrans-80.3-17.1179.567.50000112.4D228 T232D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 WeakPolarHBondContact OD1-CB 3.5Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.38Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 3.31Å; D228-T230 PolarHBondContact OD2-OG1 3.26Å; D228-T230 VanDerWaalsContact OD2-OG1 3.12Å; T230-T232 PolarHBondContact O-N 2.96Å
231I87.7Confident86.5Confident30 Ų3062.7 Ų62.715%0.15433%0.328CS..  trans-73.1104-179.3-60.3178.4000109.4P226 D228 K229 W302 G303P226-I231 HydrophobicContact CB-CB 4.2Å; P226-I231 HydrophobicContact CB-CD1 4Å; P226-I231 HydrophobicContact CB-CG2 4.45Å; P226-I231 HydrophobicContact CG-CB 3.94Å; P226-I231 HydrophobicContact CG-CG2 4.14Å; D228-I231 HydrophobicContact CB-CD1 3.93Å; D228-I231 HydrophobicContact CB-CG1 4.07Å; D228-I231 PolarHBondContact O-N 2.78Å; K229-I231 VanDerWaalsContact C-N 3.31Å; I231-W302 HydrophobicContact CG2-CE3 4.29Å; I231-G303 VanDerWaalsContact CG2-O 3.24Å; I231-G303 WeakPolarHBondContact CG2-O 3.32Å
232T91.2Very high86.6Confident17 Ų1762.5 Ų62.510%0.10433%0.326CS..  trans-113.510.1173.1500000111.6T230 F274 R277T230-T232 PolarHBondContact O-N 2.96Å; T232-F274 WeakPolarHBondContact CB-O 3.26Å; T232-F274 PolarHBondContact O-N 2.88Å; T232-F274 PolarHBondContact OG1-O 2.82Å; T232-R277 HydrophobicContact CG2-CB 4.38Å
233T92.3Very high86.8Confident24 Ų2454.1 Ų54.115%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-93.4125.8-177.9-49.40000110.2F271 I272 Q273 G303T233-F271 HydrophobicContact CG2-CB 4.15Å; T233-F271 HydrophobicContact CG2-CD1 4.21Å; T233-I272 CarbonylContact C-O 3.58Å; T233-I272 VanDerWaalsContact CA-O 3.3Å; T233-I272 WeakPolarHBondContact CA-O 3.28Å; T233-Q273 HydrophobicContact CG2-CG 4.03Å; T233-G303 WeakPolarHBondContact O-CA 3.37Å; T233-G303 PolarHBondContact O-N 2.95Å
234L93Very high87.2Confident0 Ų055.9 Ų55.90%031%0.306CS..EExtended strand (participates in β ladder)trans-100.3132.6168.8-56.3-171.3000110F252 F271 I272 F274 A283 A284 V300 W302L234-F252 HydrophobicContact CD1-CD1 4.45Å; L234-F252 HydrophobicContact CD1-CE1 3.97Å; L234-F271 CarbonylContact O-C 3.59Å; L234-F271 WeakPolarHBondContact O-CA 3.37Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 3.27Å; L234-F274 HydrophobicContact CD1-CD2 4.29Å; L234-F274 HydrophobicContact CD1-CE2 3.66Å; L234-F274 HydrophobicContact CG-CD2 4.27Å; L234-F274 HydrophobicContact CG-CE2 4.07Å; L234-A283 HydrophobicContact CD1-CB 3.85Å; L234-A284 HydrophobicContact CD1-CB 4.23Å; L234-A284 HydrophobicContact CD2-CB 3.72Å; L234-V300 HydrophobicContact CB-CG1 4.39Å; L234-V300 HydrophobicContact CD1-CG1 4.34Å; L234-W302 HydrophobicContact CD2-CD2 4.22Å; L234-W302 HydrophobicContact CD2-CE3 3.54Å; L234-W302 HydrophobicContact CD2-CH2 4.15Å; L234-W302 HydrophobicContact CD2-CZ3 3.51Å
235Y92.7Very high87.6Confident64 Ų6455 Ų5525%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-91.1130.4167.7166.5-90.6000109.1C269 A270 F271 V300 K301Y235-C269 HydrophobicContact CD2-CB 4.47Å; Y235-C269 HydrophobicContact CE2-CB 3.69Å; Y235-C269 WeakPolarHBondContact CE2-SG 3.49Å; Y235-C269 VanDerWaalsContact CZ-SG 3.55Å; Y235-C269 PolarHBondContact OH-SG 3.16Å; Y235-A270 WeakPolarHBondContact CA-O 3.44Å; Y235-F271 HydrophobicContact CD2-CD1 4.39Å; Y235-F271 AromaticContact CD2-CE1 3.73Å; Y235-F271 HydrophobicContact CD2-CE1 3.73Å; Y235-F271 AromaticContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CE2-CZ 4.45Å; Y235-V300 CarbonylContact O-C 3.55Å; Y235-V300 VanDerWaalsContact O-CA 3.29Å; Y235-V300 WeakPolarHBondContact O-CA 3.24Å; Y235-K301 HydrophobicContact CD1-CB 3.92Å; Y235-K301 HydrophobicContact CD1-CD 4.28Å; Y235-K301 HydrophobicContact CD1-CG 4.2Å; Y235-K301 HydrophobicContact CE1-CD 4.41Å; Y235-K301 PolarHBondContact N-O 2.91Å; Y235-K301 PolarHBondContact O-N 3.5Å
236V92.5Very high88.1Confident0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-120.8114.8175.4-174.90000108.2L239 F252 C269 A270 I272 L298 V300V236-L239 HydrophobicContact CG1-CD2 4.31Å; V236-L239 HydrophobicContact CG1-CG 4.44Å; V236-F252 HydrophobicContact CG2-CE2 4.14Å; V236-F252 HydrophobicContact CG2-CZ 4.04Å; V236-C269 CarbonylContact O-C 3.59Å; V236-C269 VanDerWaalsContact O-CA 3.27Å; V236-C269 WeakPolarHBondContact O-CA 3.45Å; V236-A270 HydrophobicContact CB-CB 4.42Å; V236-A270 PolarHBondContact N-O 3.31Å; V236-A270 PolarHBondContact O-N 3.43Å; V236-I272 HydrophobicContact CG2-CD1 3.88Å; V236-I272 HydrophobicContact CG2-CG1 4.49Å; V236-L298 HydrophobicContact CG1-CB 3.91Å; V236-L298 HydrophobicContact CG1-CD1 3.89Å; V236-L298 HydrophobicContact CG1-CG 4.33Å; V236-V300 HydrophobicContact CG2-CG2 4.39Å
237G91.6Very high88.5Confident3 Ų357 Ų573%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-104.9158.1176.100000112.6N299G237-N299 PolarHBondContact N-O 3.06Å; G237-N299 PolarHBondContact O-N 3.48Å
238G88.6Confident88.9Confident38 Ų3848.2 Ų48.239%0.39227%0.267SS..  trans85.822.1175.200000114.6G240 Q268 L298G238-G240 VanDerWaalsContact C-N 3.27Å; G238-G240 PolarHBondContact O-N 3.35Å; G238-Q268 PolarHBondContact N-O 3.4Å; G238-L298 VanDerWaalsContact C-CD2 3.46Å; G238-L298 VanDerWaalsContact O-CD2 3.25Å; G238-L298 WeakPolarHBondContact O-CD2 3.42Å
239L86.8Confident89.3Confident2 Ų249.3 Ų49.31%0.0127%0.266CS..  trans-61.6-35.1-177.7-72.2151.3000112.9V236 I243 L248 Q268 A270 L298V236-L239 HydrophobicContact CG1-CD2 4.31Å; V236-L239 HydrophobicContact CG1-CG 4.44Å; L239-I243 HydrophobicContact CB-CB 4.47Å; L239-I243 HydrophobicContact CD2-CB 4.09Å; L239-I243 HydrophobicContact CD2-CG2 3.66Å; L239-I243 WeakPolarHBondContact O-CD1 3.19Å; L239-I243 VanDerWaalsContact O-CG1 3.31Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-L248 HydrophobicContact CD2-CD1 3.65Å; L239-L248 HydrophobicContact CD2-CD2 3.71Å; L239-L248 HydrophobicContact CD2-CG 4.02Å; L239-Q268 PolarHBondContact N-O 3.38Å; L239-A270 HydrophobicContact CD1-CB 3.45Å; L239-A270 VanDerWaalsContact CD1-CB 3.45Å; L239-L298 HydrophobicContact CD2-CD1 4.12Å; L239-L298 HydrophobicContact CD2-CD2 4.24Å; L239-L298 HydrophobicContact CG-CD2 4.3Å
240G85Confident89.7Confident0 Ų046.9 Ų46.90%026%0.26CS..THydrogen-bonded Turntrans60.3-170.7-165.100000112.7G238 R296G238-G240 VanDerWaalsContact C-N 3.27Å; G238-G240 PolarHBondContact O-N 3.35Å; G240-R296 VanDerWaalsContact CA-NH1 3.34Å
241D84Confident89.9Confident123 Ų12344.2 Ų44.266%0.65824%0.24SC*.THydrogen-bonded Turntrans-92.4-9.6-173-47.4-27.5000112.6Q268D241-Q268 PolarHBondContact OD1-NE2 2.91Å
242T86.4Confident90.2Very high89 Ų8942.8 Ų42.855%0.54623%0.233SC..THydrogen-bonded Turntrans-87.9-25.3-176.5-42.30000112.8
243I87.7Confident90.2Very high3 Ų349.3 Ų49.32%0.01526%0.257CS..  trans-85.8124.4-174.7-63173.4000109.5L239 D247 L248 V293 N294 R296 L298L239-I243 HydrophobicContact CB-CB 4.47Å; L239-I243 HydrophobicContact CD2-CB 4.09Å; L239-I243 HydrophobicContact CD2-CG2 3.66Å; L239-I243 WeakPolarHBondContact O-CD1 3.19Å; L239-I243 VanDerWaalsContact O-CG1 3.31Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; I243-D247 HydrophobicContact CG2-CB 4.16Å; I243-L248 HydrophobicContact CG2-CD2 4.27Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; I243-V293 HydrophobicContact CD1-CB 4.1Å; I243-V293 HydrophobicContact CD1-CG1 4.31Å; I243-V293 HydrophobicContact CG1-CG1 4.35Å; I243-V293 HydrophobicContact CG2-CG1 4.36Å; I243-N294 HydrophobicContact CG1-CB 4.49Å; I243-R296 HydrophobicContact CD1-CB 4.44Å; I243-L298 HydrophobicContact CD1-CD1 4.19Å; I243-L298 HydrophobicContact CD1-CD2 3.84Å; I243-L298 HydrophobicContact CD1-CG 4.37Å
244T88.9Confident90.2Very high66 Ų6654.2 Ų54.241%0.40528%0.278SS..  trans-94.1164-178.968.20000111.9T246 D247 L248T244-T246 PolarHBondContact O-N 3.46Å; T244-D247 PolarHBondContact N-OD2 3.37Å; T244-D247 PolarHBondContact O-N 3.32Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 3.42Å; T244-L248 PolarHBondContact O-N 2.95Å
245E90.8Very high90.2Very high79 Ų7955.6 Ų55.637%0.36928%0.284SS..Hα-helixtrans-57.9-38.2173.3-168.3-167.2136.800111.8D247 L248 R249 I261 V263E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 3.44Å; E245-R249 WeakPolarHBondContact O-CB 3.24Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE1-CZ 3.77Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 2.77Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å; E245-I261 HydrophobicContact CG-CB 3.89Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG2 3.54Å; E245-V263 HydrophobicContact CB-CG2 4.01Å; E245-V263 HydrophobicContact CG-CG2 4.12Å
246T91.7Very high90.2Very high85 Ų8553.6 Ų53.652%0.52128%0.283SS..Hα-helixtrans-60.5-39.9179.7-50.60000111.7T244 L248 R249 N250T244-T246 PolarHBondContact O-N 3.46Å; T246-L248 PolarHBondContact O-N 3.31Å; T246-R249 PolarHBondContact O-N 3.19Å; T246-N250 WeakPolarHBondContact O-CB 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å; T246-N250 PolarHBondContact O-ND2 3.25Å
247D91.5Very high90.2Very high47 Ų4759.2 Ų59.225%0.25131%0.309SS..Hα-helixtrans-63.6-42.6178.3-58.1-44.6000111.6I243 T244 E245 H251 V293I243-D247 HydrophobicContact CG2-CB 4.16Å; T244-D247 PolarHBondContact N-OD2 3.37Å; T244-D247 PolarHBondContact O-N 3.32Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 3.42Å; E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 3.23Å; D247-H251 PolarHBondContact O-N 2.92Å; D247-V293 HydrophobicContact CB-CG1 4.19Å
248L91.4Very high90.3Very high1 Ų159.7 Ų59.71%0.00531%0.311CS..Hα-helixtrans-65.8-44.3175.5-63.1177.7000111.2L239 I243 T244 E245 T246 N250 H251 F252 A270 I272 L298L239-L248 HydrophobicContact CD2-CD1 3.65Å; L239-L248 HydrophobicContact CD2-CD2 3.71Å; L239-L248 HydrophobicContact CD2-CG 4.02Å; I243-L248 HydrophobicContact CG2-CD2 4.27Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; T244-L248 PolarHBondContact O-N 2.95Å; E245-L248 PolarHBondContact O-N 3.44Å; T246-L248 PolarHBondContact O-N 3.31Å; L248-N250 VanDerWaalsContact C-N 3.35Å; L248-N250 PolarHBondContact O-N 3.04Å; L248-H251 PolarHBondContact O-N 2.95Å; L248-F252 HydrophobicContact CB-CD2 4.44Å; L248-F252 HydrophobicContact CD2-CE2 4.32Å; L248-F252 WeakPolarHBondContact O-CB 3.16Å; L248-F252 VanDerWaalsContact O-CD2 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.46Å; L248-F252 PolarHBondContact O-N 3Å; L248-A270 HydrophobicContact CD1-CB 3.6Å; L248-I272 HydrophobicContact CB-CD1 4.38Å; L248-L298 HydrophobicContact CD2-CD1 3.99Å
249R92.8Very high90.5Very high99 Ų9965.6 Ų65.637%0.37432%0.321SS..Hα-helixtrans-57.5-49.1177.8-174178.2-64.5-85.4-1.2111.1E245 T246 H251 F252 Y253 I261E245-R249 WeakPolarHBondContact O-CB 3.24Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE1-CZ 3.77Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 2.77Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å; T246-R249 PolarHBondContact O-N 3.19Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.1Å; R249-F252 PolarHBondContact O-N 2.93Å; R249-Y253 WeakPolarHBondContact O-CB 3.45Å; R249-Y253 PolarHBondContact O-N 3.02Å; R249-I261 HydrophobicContact CB-CD1 3.71Å; R249-I261 HydrophobicContact CG-CD1 4.1Å
250N91.9Very high90.8Very high108 Ų10868.4 Ų68.458%0.57834%0.338SS*.Hα-helixtrans-58.8-39.8179.6-70.7-15.8000111.8T246 L248T246-N250 WeakPolarHBondContact O-CB 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å; T246-N250 PolarHBondContact O-ND2 3.25Å; L248-N250 VanDerWaalsContact C-N 3.35Å; L248-N250 PolarHBondContact O-N 3.04Å
251H89.9Confident91.2Very high51 Ų5169.2 Ų69.224%0.23634%0.343CS..Hα-helixtrans-74.9-43.8179-17244.3000113.5D247 L248 R249 Q254 L291D247-H251 PolarHBondContact O-N 2.92Å; L248-H251 PolarHBondContact O-N 2.95Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.1Å; H251-Q254 PolarHBondContact CE1-NE2 3.2Å; H251-Q254 VanDerWaalsContact O-CG 3.25Å; H251-Q254 WeakPolarHBondContact O-CG 3.47Å; H251-L291 WeakPolarHBondContact CD2-CD1 3.25Å; H251-L291 VanDerWaalsContact NE2-CD1 3.28Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.48Å
252F92.9Very high91.6Very high0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-81-19.9-174-78.8-76.7000113.8L234 V236 L248 R249 Q254 F255 I258 I272 F274 A283 L291 V300L234-F252 HydrophobicContact CD1-CD1 4.45Å; L234-F252 HydrophobicContact CD1-CE1 3.97Å; V236-F252 HydrophobicContact CG2-CE2 4.14Å; V236-F252 HydrophobicContact CG2-CZ 4.04Å; L248-F252 HydrophobicContact CB-CD2 4.44Å; L248-F252 HydrophobicContact CD2-CE2 4.32Å; L248-F252 WeakPolarHBondContact O-CB 3.16Å; L248-F252 VanDerWaalsContact O-CD2 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.46Å; L248-F252 PolarHBondContact O-N 3Å; R249-F252 PolarHBondContact O-N 2.93Å; F252-Q254 PolarHBondContact O-N 2.91Å; F252-F255 AromaticContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CE2 4.03Å; F252-F255 HydrophobicContact CE1-CE2 4.46Å; F252-F255 PolarHBondContact O-N 3.32Å; F252-F255 VanDerWaalsContact O-N 3.17Å; F252-I258 HydrophobicContact CB-CD1 3.86Å; F252-I272 HydrophobicContact CD1-CD1 4.41Å; F252-I272 HydrophobicContact CD2-CD1 3.21Å; F252-I272 HydrophobicContact CE1-CD1 4.48Å; F252-I272 HydrophobicContact CE2-CD1 3.31Å; F252-I272 HydrophobicContact CG-CD1 3.82Å; F252-I272 HydrophobicContact CZ-CD1 3.97Å; F252-F274 HydrophobicContact CB-CZ 4.01Å; F252-F274 HydrophobicContact CD1-CE2 4.25Å; F252-F274 AromaticContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F252-A283 HydrophobicContact CD1-CB 4.11Å; F252-A283 HydrophobicContact CE1-CB 4.34Å; F252-L291 HydrophobicContact CE2-CD2 3.94Å; F252-L291 HydrophobicContact CZ-CD2 3.88Å; F252-V300 HydrophobicContact CZ-CG2 4.43Å
253Y92.3Very high91.9Very high154 Ų15464.2 Ų64.260%0.60432%0.317SS*.G310 helixtrans-57.5-32.2177.5-179.1-102.2000112.9R249 F255 G256R249-Y253 WeakPolarHBondContact O-CB 3.45Å; R249-Y253 PolarHBondContact O-N 3.02Å; Y253-F255 PolarHBondContact O-N 3.01Å; Y253-F255 VanDerWaalsContact O-N 3.12Å; Y253-G256 PolarHBondContact O-N 3.1Å
254Q92.5Very high92Very high126 Ų12666.1 Ų66.159%0.58933%0.328SS*.G310 helixtrans-65-16.5-179.277.6-171.25.900114.4H251 F252H251-Q254 PolarHBondContact CE1-NE2 3.2Å; H251-Q254 VanDerWaalsContact O-CG 3.25Å; H251-Q254 WeakPolarHBondContact O-CG 3.47Å; F252-Q254 PolarHBondContact O-N 2.91Å
255F92.3Very high91.9Very high29 Ų2967.8 Ų67.813%0.12733%0.332CS..G310 helixtrans-95.5-22.6-179.2-53.4-64.9000112.6F252 Y253 F274 A279 V282 A283 K286F252-F255 AromaticContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CE2 4.03Å; F252-F255 HydrophobicContact CE1-CE2 4.46Å; F252-F255 PolarHBondContact O-N 3.32Å; F252-F255 VanDerWaalsContact O-N 3.17Å; Y253-F255 PolarHBondContact O-N 3.01Å; Y253-F255 VanDerWaalsContact O-N 3.12Å; F255-F274 HydrophobicContact CB-CE1 4.46Å; F255-A279 VanDerWaalsContact O-CB 3.28Å; F255-A279 WeakPolarHBondContact O-CB 3.24Å; F255-V282 HydrophobicContact CD1-CG1 4.16Å; F255-A283 HydrophobicContact CB-CB 3.73Å; F255-A283 HydrophobicContact CD1-CB 4.46Å; F255-A283 HydrophobicContact CD2-CB 3.49Å; F255-A283 VanDerWaalsContact CD2-CB 3.49Å; F255-A283 HydrophobicContact CE2-CB 4.15Å; F255-A283 HydrophobicContact CG-CB 3.65Å; F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 HydrophobicContact CE1-CB 3.73Å; F255-K286 HydrophobicContact CE1-CD 3.52Å; F255-K286 HydrophobicContact CE1-CG 4.25Å; F255-K286 HydrophobicContact CZ-CB 4Å
256G91.9Very high91.8Very high22 Ų2275.9 Ų75.923%0.22736%0.359CS..SBendtrans155.5-175.8178.100000113.6Y253Y253-G256 PolarHBondContact O-N 3.1Å
257E93.9Very high91.6Very high119 Ų11977.3 Ų77.356%0.55636%0.359SS*.  trans-70.9132.4-175.1-169.963.1-153.400112.4A275E257-A275 HydrophobicContact CB-CB 3.96Å; E257-A275 HydrophobicContact CG-CB 4.17Å; E257-A275 PolarHBondContact O-N 2.77Å
258I94Very high91.4Very high13 Ų1378.8 Ų78.87%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-104.6122.8-176.4-54172.4000109.3F252 I261 I272 Q273 F274F252-I258 HydrophobicContact CB-CD1 3.86Å; I258-I261 HydrophobicContact CD1-CD1 4.3Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.65Å; I258-I272 HydrophobicContact CG2-CG2 3.83Å; I258-Q273 CarbonylContact C-O 3.56Å; I258-Q273 WeakPolarHBondContact CG2-O 3.09Å; I258-F274 HydrophobicContact CG1-CD1 4.41Å; I258-F274 HydrophobicContact CG1-CE1 4.05Å
259R92.3Very high91.4Very high162 Ų16279 Ų7961%0.61137%0.367SS*.EExtended strand (participates in β ladder)trans-72.8-54.8176.5-72-177.6176.5174.99.8112.2Q273 A275R259-Q273 HydrophobicContact CB-CB 4.23Å; R259-Q273 PolarHBondContact N-O 3.45Å; R259-A275 HydrophobicContact CG-CB 4.04Å; R259-A275 PolarHBondContact NH2-O 3.01Å
260T92.8Very high91.4Very high60 Ų6074.3 Ų74.337%0.36835%0.349SS..EExtended strand (participates in β ladder)trans-148.3145.7-17655.10000110.5Q273T260-Q273 PolarHBondContact N-O 2.86Å; T260-Q273 PolarHBondContact O-N 3.06Å; T260-Q273 WeakPolarHBondContact OG1-CB 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CG 3.37Å; T260-Q273 PolarHBondContact OG1-NE2 3.44Å; T260-Q273 PolarHBondContact OG1-OE1 3.16Å
261I93.4Very high91.5Very high17 Ų1771.3 Ų71.39%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-121.3129.8169.7-53.4178.2000106.7E245 R249 I258 V263 F271 I272E245-I261 HydrophobicContact CG-CB 3.89Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG2 3.54Å; R249-I261 HydrophobicContact CB-CD1 3.71Å; R249-I261 HydrophobicContact CG-CD1 4.1Å; I258-I261 HydrophobicContact CD1-CD1 4.3Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.65Å; I261-V263 HydrophobicContact CG2-CG2 4.31Å; I261-F271 WeakPolarHBondContact CA-O 3.49Å; I261-I272 HydrophobicContact CG1-CG2 4.46Å; I261-I272 HydrophobicContact CG2-CG1 4.29Å
262T92.6Very high91.6Very high70 Ų7068.9 Ų68.943%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-128.3109.7178.5-550000108.9A270 F271T262-A270 CarbonylContact O-C 3.57Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.27Å; T262-F271 PolarHBondContact N-O 3.11Å; T262-F271 PolarHBondContact O-N 3.4Å
263V91.7Very high91.6Very high38 Ų3872.2 Ų72.223%0.2334%0.335CS..EExtended strand (participates in β ladder)trans-95.3124.5177.7-175.30000109.6E245 I261 A270E245-V263 HydrophobicContact CB-CG2 4.01Å; E245-V263 HydrophobicContact CG-CG2 4.12Å; I261-V263 HydrophobicContact CG2-CG2 4.31Å; V263-A270 HydrophobicContact CG2-CB 4.21Å
264V91.2Very high91.8Very high43 Ų4364.9 Ų64.926%0.26131%0.306SS..EExtended strand (participates in β ladder)trans-108.591.3178.3-175.60000108.6R266 Q267 Q268 C269 F271V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 2.91Å; V264-Q267 HydrophobicContact CG1-CB 4.13Å; V264-Q267 HydrophobicContact CG1-CG 4.15Å; V264-Q267 PolarHBondContact O-N 3.15Å; V264-Q267 VanDerWaalsContact O-N 3.11Å; V264-Q268 PolarHBondContact O-N 3.24Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; V264-C269 WeakPolarHBondContact CA-O 3.3Å; V264-C269 PolarHBondContact N-O 3.38Å; V264-C269 PolarHBondContact O-N 2.79Å; V264-F271 HydrophobicContact CG2-CD2 4.31Å; V264-F271 HydrophobicContact CG2-CE2 4.19Å
265Q86.3Confident91.8Very high101 Ų10160.4 Ų60.447%0.47229%0.291SS..G310 helixtrans-59.7-38-175.5-62.2-63.86.200112.8Q267 Q268Q265-Q267 PolarHBondContact O-N 3.38Å; Q265-Q267 VanDerWaalsContact O-N 3.11Å; Q265-Q268 PolarHBondContact O-N 2.95Å
266R87.9Confident91.8Very high249 Ų24962.4 Ų62.494%0.9431%0.305SS*.G310 helixtrans-58.1-28.7178.2-69.4-171.9179.9178.70.6114.1V264V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 2.91Å
267Q87.4Confident91.7Very high115 Ų11564.4 Ų64.454%0.53731%0.306SS..G310 helixtrans-107.4-2.3-179.4-65.7178.314.400111.9V264 Q265 C269V264-Q267 HydrophobicContact CG1-CB 4.13Å; V264-Q267 HydrophobicContact CG1-CG 4.15Å; V264-Q267 PolarHBondContact O-N 3.15Å; V264-Q267 VanDerWaalsContact O-N 3.11Å; Q265-Q267 PolarHBondContact O-N 3.38Å; Q265-Q267 VanDerWaalsContact O-N 3.11Å; Q267-C269 HydrophobicContact CB-CB 4.06Å; Q267-C269 PolarHBondContact O-N 3.24Å; Q267-C269 PolarHBondContact O-SG 2.89Å
268Q88.5Confident91.6Very high77 Ų7766 Ų6636%0.3631%0.314SS..THydrogen-bonded Turntrans49.642.1-170.6-62.2178.1-18.700111.7G238 L239 D241 V264 Q265G238-Q268 PolarHBondContact N-O 3.4Å; L239-Q268 PolarHBondContact N-O 3.38Å; D241-Q268 PolarHBondContact OD1-NE2 2.91Å; V264-Q268 PolarHBondContact O-N 3.24Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; Q265-Q268 PolarHBondContact O-N 2.95Å
269C91.4Very high91.5Very high7 Ų765.6 Ų65.65%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-126.7148.8-175.7-66.10000110.9Y235 V236 V264 Q267Y235-C269 HydrophobicContact CD2-CB 4.47Å; Y235-C269 HydrophobicContact CE2-CB 3.69Å; Y235-C269 WeakPolarHBondContact CE2-SG 3.49Å; Y235-C269 VanDerWaalsContact CZ-SG 3.55Å; Y235-C269 PolarHBondContact OH-SG 3.16Å; V236-C269 CarbonylContact O-C 3.59Å; V236-C269 VanDerWaalsContact O-CA 3.27Å; V236-C269 WeakPolarHBondContact O-CA 3.45Å; V264-C269 WeakPolarHBondContact CA-O 3.3Å; V264-C269 PolarHBondContact N-O 3.38Å; V264-C269 PolarHBondContact O-N 2.79Å; Q267-C269 HydrophobicContact CB-CB 4.06Å; Q267-C269 PolarHBondContact O-N 3.24Å; Q267-C269 PolarHBondContact O-SG 2.89Å
270A92.3Very high91.5Very high0 Ų057.9 Ų57.90%028%0.283CS..EExtended strand (participates in β ladder)trans-130148.7171.700000111.1Y235 V236 L239 L248 T262 V263Y235-A270 WeakPolarHBondContact CA-O 3.44Å; V236-A270 HydrophobicContact CB-CB 4.42Å; V236-A270 PolarHBondContact N-O 3.31Å; V236-A270 PolarHBondContact O-N 3.43Å; L239-A270 HydrophobicContact CD1-CB 3.45Å; L239-A270 VanDerWaalsContact CD1-CB 3.45Å; L248-A270 HydrophobicContact CD1-CB 3.6Å; T262-A270 CarbonylContact O-C 3.57Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.27Å; V263-A270 HydrophobicContact CG2-CB 4.21Å
271F93.6Very high91.4Very high44 Ų4457.5 Ų57.519%0.19328%0.277CS..EExtended strand (participates in β ladder)trans-116.1123.5173.2-62.5-85000108.8T233 L234 Y235 I261 T262 V264T233-F271 HydrophobicContact CG2-CB 4.15Å; T233-F271 HydrophobicContact CG2-CD1 4.21Å; L234-F271 CarbonylContact O-C 3.59Å; L234-F271 WeakPolarHBondContact O-CA 3.37Å; Y235-F271 HydrophobicContact CD2-CD1 4.39Å; Y235-F271 AromaticContact CD2-CE1 3.73Å; Y235-F271 HydrophobicContact CD2-CE1 3.73Å; Y235-F271 AromaticContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CE2-CZ 4.45Å; I261-F271 WeakPolarHBondContact CA-O 3.49Å; T262-F271 PolarHBondContact N-O 3.11Å; T262-F271 PolarHBondContact O-N 3.4Å; V264-F271 HydrophobicContact CG2-CD2 4.31Å; V264-F271 HydrophobicContact CG2-CE2 4.19Å
272I93.1Very high91.3Very high0 Ų059.4 Ų59.40%029%0.289CS..EExtended strand (participates in β ladder)trans-118.1114.8-177.8-55.4176.3000107.6T233 L234 V236 L248 F252 I258 I261 F274T233-I272 CarbonylContact C-O 3.58Å; T233-I272 VanDerWaalsContact CA-O 3.3Å; T233-I272 WeakPolarHBondContact CA-O 3.28Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 3.27Å; V236-I272 HydrophobicContact CG2-CD1 3.88Å; V236-I272 HydrophobicContact CG2-CG1 4.49Å; L248-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD1-CD1 4.41Å; F252-I272 HydrophobicContact CD2-CD1 3.21Å; F252-I272 HydrophobicContact CE1-CD1 4.48Å; F252-I272 HydrophobicContact CE2-CD1 3.31Å; F252-I272 HydrophobicContact CG-CD1 3.82Å; F252-I272 HydrophobicContact CZ-CD1 3.97Å; I258-I272 HydrophobicContact CG2-CG2 3.83Å; I261-I272 HydrophobicContact CG1-CG2 4.46Å; I261-I272 HydrophobicContact CG2-CG1 4.29Å; I272-F274 HydrophobicContact CG2-CD2 4.34Å; I272-F274 HydrophobicContact CG2-CE2 3.88Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å
273Q93.1Very high91.3Very high70 Ų7056 Ų5633%0.32727%0.269SS..EExtended strand (participates in β ladder)trans-98.2122.7177.9-56.7-173.319.300109.9T233 I258 R259 T260T233-Q273 HydrophobicContact CG2-CG 4.03Å; I258-Q273 CarbonylContact C-O 3.56Å; I258-Q273 WeakPolarHBondContact CG2-O 3.09Å; R259-Q273 HydrophobicContact CB-CB 4.23Å; R259-Q273 PolarHBondContact N-O 3.45Å; T260-Q273 PolarHBondContact N-O 2.86Å; T260-Q273 PolarHBondContact O-N 3.06Å; T260-Q273 WeakPolarHBondContact OG1-CB 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CG 3.37Å; T260-Q273 PolarHBondContact OG1-NE2 3.44Å; T260-Q273 PolarHBondContact OG1-OE1 3.16Å
274F94.7Very high91.3Very high0 Ų054.2 Ų54.20%026%0.258CS..EExtended strand (participates in β ladder)trans-87.8154.6175.3-80-88000112.4T232 L234 F252 F255 I258 I272 A279 A280 A283T232-F274 WeakPolarHBondContact CB-O 3.26Å; T232-F274 PolarHBondContact O-N 2.88Å; T232-F274 PolarHBondContact OG1-O 2.82Å; L234-F274 HydrophobicContact CD1-CD2 4.29Å; L234-F274 HydrophobicContact CD1-CE2 3.66Å; L234-F274 HydrophobicContact CG-CD2 4.27Å; L234-F274 HydrophobicContact CG-CE2 4.07Å; F252-F274 HydrophobicContact CB-CZ 4.01Å; F252-F274 HydrophobicContact CD1-CE2 4.25Å; F252-F274 AromaticContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F255-F274 HydrophobicContact CB-CE1 4.46Å; I258-F274 HydrophobicContact CG1-CD1 4.41Å; I258-F274 HydrophobicContact CG1-CE1 4.05Å; I272-F274 HydrophobicContact CG2-CD2 4.34Å; I272-F274 HydrophobicContact CG2-CE2 3.88Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å; F274-A279 HydrophobicContact CD1-CB 3.76Å; F274-A279 HydrophobicContact CE1-CB 4.28Å; F274-A279 HydrophobicContact CG-CB 4.41Å; F274-A280 HydrophobicContact CB-CB 4.01Å; F274-A280 HydrophobicContact CD2-CB 4.03Å; F274-A280 HydrophobicContact CG-CB 4.19Å; F274-A283 HydrophobicContact CE1-CB 4.47Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.71Å
275A92.8Very high91.2Very high32 Ų3258 Ų5826%0.26427%0.273SS..SBendtrans-73.7-32.1173.800000112.8E257 R259E257-A275 HydrophobicContact CB-CB 3.96Å; E257-A275 HydrophobicContact CG-CB 4.17Å; E257-A275 PolarHBondContact O-N 2.77Å; R259-A275 HydrophobicContact CG-CB 4.04Å; R259-A275 PolarHBondContact NH2-O 3.01Å
276T92.6Very high91.2Very high71 Ų7159 Ų5944%0.43628%0.276SS..SBendtrans-123.2145.6-176.464.80000111.3A279 A280T276-A279 WeakPolarHBondContact OG1-CB 3.06Å; T276-A279 PolarHBondContact OG1-N 2.92Å; T276-A280 PolarHBondContact O-N 3.19Å
277R89.9Confident91.2Very high64 Ų6447.2 Ų47.224%0.24223%0.231CC..Hα-helixtrans-64.6-42.5175.8177.2177.5172143.915.1112.2T232 A279 A280 E281T232-R277 HydrophobicContact CG2-CB 4.38Å; R277-A279 VanDerWaalsContact C-N 3.31Å; R277-A279 PolarHBondContact O-N 3.37Å; R277-A280 WeakPolarHBondContact O-CB 3.17Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.09Å; R277-E281 HydrophobicContact CG-CG 4.29Å; R277-E281 IonicContact CZ-OE1 2.68Å; R277-E281 IonicContact NE-OE1 2.72Å; R277-E281 PolarHBondContact NE-OE1 3.36Å; R277-E281 IonicContact NE-OE2 3.87Å; R277-E281 IonicContact NH2-OE1 3.82Å; R277-E281 PolarHBondContact NH2-OE1 3.2Å; R277-E281 PolarHBondContact O-N 3.36Å
278Q91.7Very high91.1Very high153 Ų15343.1 Ų43.172%0.71521%0.212SC*.Hα-helixtrans-59.3-43.3-179-65.7177.31.100111.5A280 E281 V282Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.33Å; Q278-E281 PolarHBondContact O-N 3.46Å; Q278-V282 WeakPolarHBondContact O-CB 3.25Å; Q278-V282 VanDerWaalsContact O-CG2 3.25Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.49Å
279A93.1Very high90.8Very high5 Ų542.3 Ų42.34%0.04121%0.21CC..Hα-helixtrans-63.5-41.2175.500000111.6F255 F274 T276 R277 A283F255-A279 VanDerWaalsContact O-CB 3.28Å; F255-A279 WeakPolarHBondContact O-CB 3.24Å; F274-A279 HydrophobicContact CD1-CB 3.76Å; F274-A279 HydrophobicContact CE1-CB 4.28Å; F274-A279 HydrophobicContact CG-CB 4.41Å; T276-A279 WeakPolarHBondContact OG1-CB 3.06Å; T276-A279 PolarHBondContact OG1-N 2.92Å; R277-A279 VanDerWaalsContact C-N 3.31Å; R277-A279 PolarHBondContact O-N 3.37Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 3.06Å
280A91.6Very high90.3Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-61.8-45.8177.700000112F274 T276 R277 Q278 A283 A284 W302F274-A280 HydrophobicContact CB-CB 4.01Å; F274-A280 HydrophobicContact CD2-CB 4.03Å; F274-A280 HydrophobicContact CG-CB 4.19Å; T276-A280 PolarHBondContact O-N 3.19Å; R277-A280 WeakPolarHBondContact O-CB 3.17Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.09Å; Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.33Å; A280-A283 PolarHBondContact O-N 3.18Å; A280-A284 WeakPolarHBondContact O-CB 3.28Å; A280-A284 PolarHBondContact O-N 3.15Å; A280-W302 HydrophobicContact CB-CH2 4.15Å; A280-W302 HydrophobicContact CB-CZ3 3.96Å
281E91.2Very high89.9Confident51 Ų5148.8 Ų48.824%0.23824%0.238CC..Hα-helixtrans-64.5-49179.3-71.9178.2159.100111.6R277 Q278 A283 A284 E285 W302R277-E281 HydrophobicContact CG-CG 4.29Å; R277-E281 IonicContact CZ-OE1 2.68Å; R277-E281 IonicContact NE-OE1 2.72Å; R277-E281 PolarHBondContact NE-OE1 3.36Å; R277-E281 IonicContact NE-OE2 3.87Å; R277-E281 IonicContact NH2-OE1 3.82Å; R277-E281 PolarHBondContact NH2-OE1 3.2Å; R277-E281 PolarHBondContact O-N 3.36Å; Q278-E281 PolarHBondContact O-N 3.46Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 2.91Å; E281-A284 PolarHBondContact O-N 3.19Å; E281-E285 WeakPolarHBondContact O-CG 3.15Å; E281-E285 PolarHBondContact O-N 3.11Å; E281-W302 HydrophobicContact CB-CH2 4.29Å; E281-W302 HydrophobicContact CG-CH2 3.7Å; E281-W302 HydrophobicContact CG-CZ2 4Å
282V90.9Very high89.6Confident57 Ų5751.3 Ų51.335%0.34525%0.252SS..Hα-helixtrans-61.6-41.9177.8173.20000111.1F255 Q278 K286F255-V282 HydrophobicContact CD1-CG1 4.16Å; Q278-V282 WeakPolarHBondContact O-CB 3.25Å; Q278-V282 VanDerWaalsContact O-CG2 3.25Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.49Å; V282-K286 HydrophobicContact CG1-CD 3.81Å; V282-K286 HydrophobicContact CG1-CG 4.46Å; V282-K286 VanDerWaalsContact O-CB 3.28Å; V282-K286 WeakPolarHBondContact O-CB 3.33Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.39Å
283A92.3Very high89.2Confident0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-64-43.9176.500000111.5L234 F252 F255 F274 A279 A280 E281 S287L234-A283 HydrophobicContact CD1-CB 3.85Å; F252-A283 HydrophobicContact CD1-CB 4.11Å; F252-A283 HydrophobicContact CE1-CB 4.34Å; F255-A283 HydrophobicContact CB-CB 3.73Å; F255-A283 HydrophobicContact CD1-CB 4.46Å; F255-A283 HydrophobicContact CD2-CB 3.49Å; F255-A283 VanDerWaalsContact CD2-CB 3.49Å; F255-A283 HydrophobicContact CE2-CB 4.15Å; F255-A283 HydrophobicContact CG-CB 3.65Å; F274-A283 HydrophobicContact CE1-CB 4.47Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.71Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 3.06Å; A280-A283 PolarHBondContact O-N 3.18Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 2.91Å; A283-S287 WeakPolarHBondContact O-CB 3.18Å; A283-S287 PolarHBondContact O-N 3.03Å; A283-S287 PolarHBondContact O-OG 2.88Å
284A91.7Very high88.8Confident0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-64.5-49.7-178.900000111L223 L234 A280 E281 S287 F288 W302L223-A284 HydrophobicContact CD2-CB 3.47Å; L223-A284 VanDerWaalsContact CD2-CB 3.47Å; L234-A284 HydrophobicContact CD1-CB 4.23Å; L234-A284 HydrophobicContact CD2-CB 3.72Å; A280-A284 WeakPolarHBondContact O-CB 3.28Å; A280-A284 PolarHBondContact O-N 3.15Å; E281-A284 PolarHBondContact O-N 3.19Å; A284-S287 PolarHBondContact O-N 2.66Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 3.18Å; A284-W302 HydrophobicContact CB-CH2 3.99Å; A284-W302 HydrophobicContact CB-CZ2 3.67Å
285E88Confident88.3Confident122 Ų12257.3 Ų57.357%0.5730%0.304SS*.Hα-helixtrans-61.7-46.5178.6-72.7-179.1-179.200112.5E281 S287E281-E285 WeakPolarHBondContact O-CG 3.15Å; E281-E285 PolarHBondContact O-N 3.11Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 3.17Å
286K86.9Confident88Confident122 Ų12261.2 Ų61.253%0.5331%0.312SS..Hα-helixtrans-71.9-26.7-178.2-72.4-179.4177.91750113.4F255 V282 K290F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 HydrophobicContact CE1-CB 3.73Å; F255-K286 HydrophobicContact CE1-CD 3.52Å; F255-K286 HydrophobicContact CE1-CG 4.25Å; F255-K286 HydrophobicContact CZ-CB 4Å; V282-K286 HydrophobicContact CG1-CD 3.81Å; V282-K286 HydrophobicContact CG1-CG 4.46Å; V282-K286 VanDerWaalsContact O-CB 3.28Å; V282-K286 WeakPolarHBondContact O-CB 3.33Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.39Å; K286-K290 WeakPolarHBondContact O-CD 3.18Å
287S87.5Confident87.8Confident1 Ų164.2 Ų64.21%0.00732%0.316CS..Hα-helixtrans-92.7-22.8-178-52.20000112.7A283 A284 E285 N289 K290 L291A283-S287 WeakPolarHBondContact O-CB 3.18Å; A283-S287 PolarHBondContact O-N 3.03Å; A283-S287 PolarHBondContact O-OG 2.88Å; A284-S287 PolarHBondContact O-N 2.66Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 3.17Å; S287-N289 PolarHBondContact O-N 2.93Å; S287-K290 PolarHBondContact O-N 2.62Å; S287-K290 VanDerWaalsContact O-N 3.1Å; S287-L291 PolarHBondContact O-N 3.06Å; S287-L291 VanDerWaalsContact O-N 3.15Å
288F86.7Confident87.8Confident30 Ų3061.2 Ų61.213%0.13230%0.304CS..THydrogen-bonded Turntrans-59.8118-177.9-171.9-105.1000111.9P221 L223 A284 K290 V300P221-F288 HydrophobicContact CB-CE1 4.21Å; P221-F288 HydrophobicContact CB-CZ 4.33Å; P221-F288 WeakPolarHBondContact O-CE1 3.48Å; L223-F288 HydrophobicContact CB-CD1 4.46Å; L223-F288 HydrophobicContact CB-CD2 3.97Å; L223-F288 HydrophobicContact CB-CE2 4.27Å; L223-F288 HydrophobicContact CB-CG 4.08Å; L223-F288 HydrophobicContact CD1-CD2 4.19Å; L223-F288 HydrophobicContact CD1-CE2 4.1Å; L223-F288 HydrophobicContact CD2-CD2 4.47Å; L223-F288 HydrophobicContact CG-CD2 4.44Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 3.18Å; F288-K290 PolarHBondContact O-N 3.36Å; F288-K290 VanDerWaalsContact O-N 3.07Å; F288-V300 VanDerWaalsContact CD2-O 3.28Å; F288-V300 WeakPolarHBondContact CD2-O 3.28Å
289N82.3Confident87.7Confident60 Ų6057.8 Ų57.832%0.32129%0.291SS..THydrogen-bonded Turntrans56.915.1-175.9-63.5-31.5000115.5S287 R297S287-N289 PolarHBondContact O-N 2.93Å; N289-R297 PolarHBondContact O-NH1 3.01Å
290K81Confident87.7Confident136 Ų13657.6 Ų57.659%0.59129%0.289SS*.THydrogen-bonded Turntrans-116.4-28.5177.7-170.3177.5178-178.60112.9K286 S287 F288 I292K286-K290 WeakPolarHBondContact O-CD 3.18Å; S287-K290 PolarHBondContact O-N 2.62Å; S287-K290 VanDerWaalsContact O-N 3.1Å; F288-K290 PolarHBondContact O-N 3.36Å; F288-K290 VanDerWaalsContact O-N 3.07Å; K290-I292 PolarHBondContact O-N 2.81Å; K290-I292 VanDerWaalsContact O-N 3.15Å
291L83.4Confident87.6Confident7 Ų763.4 Ų63.44%0.03731%0.314CS..  trans-68.2113.2-172.4-176.149.5000112.2H251 F252 S287 V293 L298 V300H251-L291 WeakPolarHBondContact CD2-CD1 3.25Å; H251-L291 VanDerWaalsContact NE2-CD1 3.28Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.48Å; F252-L291 HydrophobicContact CE2-CD2 3.94Å; F252-L291 HydrophobicContact CZ-CD2 3.88Å; S287-L291 PolarHBondContact O-N 3.06Å; S287-L291 VanDerWaalsContact O-N 3.15Å; L291-V293 HydrophobicContact CD1-CG2 3.45Å; L291-V293 VanDerWaalsContact CD1-CG2 3.45Å; L291-V293 HydrophobicContact CG-CG2 4.01Å; L291-L298 HydrophobicContact CB-CB 4.3Å; L291-L298 HydrophobicContact CD2-CB 4.01Å; L291-L298 HydrophobicContact CD2-CD1 3.78Å; L291-L298 HydrophobicContact CD2-CG 4.42Å; L291-L298 HydrophobicContact CG-CB 3.98Å; L291-L298 HydrophobicContact CG-CD1 3.96Å; L291-L298 HydrophobicContact CG-CG 4.28Å; L291-L298 PolarHBondContact O-N 2.79Å; L291-V300 HydrophobicContact CD2-CG2 4.33Å
292I86.9Confident87.7Confident97 Ų9762.9 Ų62.950%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-122.9115.3172-56.9171.2000107.3K290 R296K290-I292 PolarHBondContact O-N 2.81Å; K290-I292 VanDerWaalsContact O-N 3.15Å; I292-R296 CarbonylContact C-O 3.59Å; I292-R296 VanDerWaalsContact CA-O 3.27Å; I292-R296 WeakPolarHBondContact CA-O 3.28Å
293V85.6Confident87.4Confident20 Ų2060.3 Ų60.312%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-123.8131.7178.2-177.60000107.7I243 D247 L291 G295 R296 L298I243-V293 HydrophobicContact CD1-CB 4.1Å; I243-V293 HydrophobicContact CD1-CG1 4.31Å; I243-V293 HydrophobicContact CG1-CG1 4.35Å; I243-V293 HydrophobicContact CG2-CG1 4.36Å; D247-V293 HydrophobicContact CB-CG1 4.19Å; L291-V293 HydrophobicContact CD1-CG2 3.45Å; L291-V293 VanDerWaalsContact CD1-CG2 3.45Å; L291-V293 HydrophobicContact CG-CG2 4.01Å; V293-G295 PolarHBondContact O-N 3.16Å; V293-G295 VanDerWaalsContact O-N 3.12Å; V293-R296 PolarHBondContact N-O 3.27Å; V293-R296 PolarHBondContact O-N 3.44Å; V293-L298 HydrophobicContact CB-CD1 4.26Å; V293-L298 HydrophobicContact CG2-CD1 4Å
294N84.4Confident86.8Confident101 Ų10169.3 Ų69.354%0.5433%0.329SS..THydrogen-bonded Turntrans50.637.1-177.4-62.4-18.7000113.5I243 R296I243-N294 HydrophobicContact CG1-CB 4.49Å; N294-R296 PolarHBondContact O-N 2.87Å
295G83.4Confident85.5Confident74 Ų7472 Ų7276%0.76335%0.349SS*.THydrogen-bonded Turntrans75.10.9-178.800000115.4V293V293-G295 PolarHBondContact O-N 3.16Å; V293-G295 VanDerWaalsContact O-N 3.12Å
296R86.2Confident84.2Confident114 Ų11472.6 Ų72.643%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-103.9137.3177.4-67.6-172.3-175.6-1603.8111.5G240 I243 I292 V293 N294G240-R296 VanDerWaalsContact CA-NH1 3.34Å; I243-R296 HydrophobicContact CD1-CB 4.44Å; I292-R296 CarbonylContact C-O 3.59Å; I292-R296 VanDerWaalsContact CA-O 3.27Å; I292-R296 WeakPolarHBondContact CA-O 3.28Å; V293-R296 PolarHBondContact N-O 3.27Å; V293-R296 PolarHBondContact O-N 3.44Å; N294-R296 PolarHBondContact O-N 2.87Å
297R88.6Confident82.5Confident135 Ų13570.4 Ų70.451%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-82.2124.4175.3178.7175.3-68.8-80.6-1.2109.8N289N289-R297 PolarHBondContact O-NH1 3.01Å
298L90.7Very high80.9Confident0 Ų072.3 Ų72.30%037%0.372CS..PPolyproline II helixtrans-98.5141.9177.8-59.8-177.6000111.1V236 G238 L239 I243 L248 L291 V293V236-L298 HydrophobicContact CG1-CB 3.91Å; V236-L298 HydrophobicContact CG1-CD1 3.89Å; V236-L298 HydrophobicContact CG1-CG 4.33Å; G238-L298 VanDerWaalsContact C-CD2 3.46Å; G238-L298 VanDerWaalsContact O-CD2 3.25Å; G238-L298 WeakPolarHBondContact O-CD2 3.42Å; L239-L298 HydrophobicContact CD2-CD1 4.12Å; L239-L298 HydrophobicContact CD2-CD2 4.24Å; L239-L298 HydrophobicContact CG-CD2 4.3Å; I243-L298 HydrophobicContact CD1-CD1 4.19Å; I243-L298 HydrophobicContact CD1-CD2 3.84Å; I243-L298 HydrophobicContact CD1-CG 4.37Å; L248-L298 HydrophobicContact CD2-CD1 3.99Å; L291-L298 HydrophobicContact CB-CB 4.3Å; L291-L298 HydrophobicContact CD2-CB 4.01Å; L291-L298 HydrophobicContact CD2-CD1 3.78Å; L291-L298 HydrophobicContact CD2-CG 4.42Å; L291-L298 HydrophobicContact CG-CB 3.98Å; L291-L298 HydrophobicContact CG-CD1 3.96Å; L291-L298 HydrophobicContact CG-CG 4.28Å; L291-L298 PolarHBondContact O-N 2.79Å; V293-L298 HydrophobicContact CB-CD1 4.26Å; V293-L298 HydrophobicContact CG2-CD1 4Å
299N90Very high79.2Confident81 Ų8178.3 Ų78.343%0.43339%0.393SS..EExtended strand (participates in β ladder)trans-103.6108.2180-70.4-12.4000109.7G237G237-N299 PolarHBondContact N-O 3.06Å; G237-N299 PolarHBondContact O-N 3.48Å
300V92Very high77.4Confident1 Ų177.9 Ų77.91%0.00640%0.403CS..EExtended strand (participates in β ladder)trans-92.2134.4178.9-174.20000110.1L234 Y235 V236 F252 F288 L291L234-V300 HydrophobicContact CB-CG1 4.39Å; L234-V300 HydrophobicContact CD1-CG1 4.34Å; Y235-V300 CarbonylContact O-C 3.55Å; Y235-V300 VanDerWaalsContact O-CA 3.29Å; Y235-V300 WeakPolarHBondContact O-CA 3.24Å; V236-V300 HydrophobicContact CG2-CG2 4.39Å; F252-V300 HydrophobicContact CZ-CG2 4.43Å; F288-V300 VanDerWaalsContact CD2-O 3.28Å; F288-V300 WeakPolarHBondContact CD2-O 3.28Å; L291-V300 HydrophobicContact CD2-CG2 4.33Å
301K90.9Very high75.9Confident122 Ų12279.6 Ų79.653%0.5341%0.41SS..EExtended strand (participates in β ladder)trans-139.1164.2172.9-59.1-178.4179177.90109.7Y235Y235-K301 HydrophobicContact CD1-CB 3.92Å; Y235-K301 HydrophobicContact CD1-CD 4.28Å; Y235-K301 HydrophobicContact CD1-CG 4.2Å; Y235-K301 HydrophobicContact CE1-CD 4.41Å; Y235-K301 PolarHBondContact N-O 2.91Å; Y235-K301 PolarHBondContact O-N 3.5Å
302W91.6Very high74.2Confident40 Ų4084.6 Ų84.615%0.15243%0.434CS..EExtended strand (participates in β ladder)trans-68.1133.7168.6-68.9112.8000111L223 D224 P226 I231 L234 A280 E281 A284L223-W302 HydrophobicContact CD2-CD2 4.42Å; L223-W302 HydrophobicContact CD2-CG 4.31Å; L223-W302 VanDerWaalsContact CD2-NE1 3.33Å; L223-W302 VanDerWaalsContact CG-CD1 3.48Å; L223-W302 HydrophobicContact CG-CG 4.48Å; L223-W302 VanDerWaalsContact CG-NE1 3.34Å; D224-W302 PolarHBondContact O-NE1 2.96Å; P226-W302 VanDerWaalsContact CD-CD2 3.46Å; P226-W302 HydrophobicContact CG-CD2 3.95Å; P226-W302 HydrophobicContact CG-CE3 3.96Å; P226-W302 HydrophobicContact CG-CG 4.28Å; P226-W302 HydrophobicContact CG-CZ3 4.3Å; I231-W302 HydrophobicContact CG2-CE3 4.29Å; L234-W302 HydrophobicContact CD2-CD2 4.22Å; L234-W302 HydrophobicContact CD2-CE3 3.54Å; L234-W302 HydrophobicContact CD2-CH2 4.15Å; L234-W302 HydrophobicContact CD2-CZ3 3.51Å; A280-W302 HydrophobicContact CB-CH2 4.15Å; A280-W302 HydrophobicContact CB-CZ3 3.96Å; E281-W302 HydrophobicContact CB-CH2 4.29Å; E281-W302 HydrophobicContact CG-CH2 3.7Å; E281-W302 HydrophobicContact CG-CZ2 4Å; A284-W302 HydrophobicContact CB-CH2 3.99Å; A284-W302 HydrophobicContact CB-CZ2 3.67Å
303G85.3Confident72.3Confident3 Ų388.4 Ų88.43%0.03145%0.447CS..PPolyproline II helixtrans-72.3144.3175.600000111.1I231 T233I231-G303 VanDerWaalsContact CG2-O 3.24Å; I231-G303 WeakPolarHBondContact CG2-O 3.32Å; T233-G303 WeakPolarHBondContact O-CA 3.37Å; T233-G303 PolarHBondContact O-N 2.95Å
304R79.9Confident70.2Confident189 Ų18995.8 Ų95.871%0.71348%0.48SS*.PPolyproline II helixtrans-90.6135.3169.9-63.8179.7-178.9-109.1-5.2108.5Q306 E312R304-Q306 PolarHBondContact O-N 3.22Å; R304-E312 IonicContact NH1-OE1 2.7Å
305S64.4Low68.1Low58 Ų58100.3 Ų100.341%0.40650%0.495SS..PPolyproline II helixtrans-57.9134.4174.51800000109.9A307 A308S305-A307 PolarHBondContact O-N 3.3Å; S305-A307 VanDerWaalsContact O-N 3.14Å; S305-A307 PolarHBondContact OG-N 3.45Å; S305-A308 WeakPolarHBondContact O-CB 3.31Å; S305-A308 PolarHBondContact O-N 2.84Å
306Q61Low65.9Low134 Ų134104 Ų10463%0.62650%0.497SS*.Hα-helixtrans-57.9-26.6174.7-71.1-73.8-6.600111.5R304 A308 R309R304-Q306 PolarHBondContact O-N 3.22Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.09Å; Q306-R309 PolarHBondContact O-N 3.36Å
307A51.8Low63.4Low76 Ų76101.7 Ų101.763%0.62851%0.509SS*.Hα-helixtrans-65.3-28.1174.200000113.2S305S305-A307 PolarHBondContact O-N 3.3Å; S305-A307 VanDerWaalsContact O-N 3.14Å; S305-A307 PolarHBondContact OG-N 3.45Å
308A52.2Low60.9Low41 Ų41101.3 Ų101.334%0.33952%0.522SS..Hα-helixtrans-75.6-33.2175.800000111.8S305 Q306 G310 K311 E312S305-A308 WeakPolarHBondContact O-CB 3.31Å; S305-A308 PolarHBondContact O-N 2.84Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.09Å; A308-G310 PolarHBondContact O-N 3.42Å; A308-K311 PolarHBondContact O-N 3.31Å; A308-K311 VanDerWaalsContact O-N 3.08Å; A308-E312 PolarHBondContact O-N 3.4Å; A308-E312 VanDerWaalsContact O-N 3.09Å
309R51Low58.3Low155 Ų155106.9 Ų106.959%0.58556%0.556SS**Hα-helixtrans-65.9-24.6178.6-124.7-175.1170.6-161.2-2.8113.3Q306Q306-R309 PolarHBondContact O-N 3.36Å
310G45.3Very low55.6Low51 Ų51110.8 Ų110.853%0.52658%0.577SS.*Hα-helixtrans-74-32.817200000113.6A308A308-G310 PolarHBondContact O-N 3.42Å
311K48.7Very low53Low172 Ų172116 Ų11675%0.74861%0.614SS**Hα-helixtrans-86.5-25.9-179.4-77.8-172.8174.6-177.10114.2A308A308-K311 PolarHBondContact O-N 3.31Å; A308-K311 VanDerWaalsContact O-N 3.08Å
312E48.8Very low50.4Low113 Ų113113.6 Ų113.653%0.52862%0.623SS.*Hα-helixtrans-75.9-28.2176.8-73.6177.3164.900112.4R304 A308 E314R304-E312 IonicContact NH1-OE1 2.7Å; A308-E312 PolarHBondContact O-N 3.4Å; A308-E312 VanDerWaalsContact O-N 3.09Å; E312-E314 VanDerWaalsContact C-N 3.33Å; E312-E314 PolarHBondContact O-N 3.07Å
313K46.2Very low48.2Very low176 Ų176119.3 Ų119.377%0.76566%0.655SS**THydrogen-bonded Turntrans-75.3-14.2178.9-89.4-169.8170.3-167.90115.3
314E42.9Very low46Very low175 Ų175128.5 Ų128.582%0.81869%0.694SS**THydrogen-bonded Turntrans-96.8-5.3-179.3-138.5174.1-16800113E312E312-E314 VanDerWaalsContact C-N 3.33Å; E312-E314 PolarHBondContact O-N 3.07Å
315K39.7Very low44.8Very low196 Ų196126.5 Ų126.585%0.85270%0.697SS**SBendtrans-1063.9175.7-100.4-173.1175.5-174.60114.6
316D37.4Very low44.3Very low152 Ų152132.4 Ų132.481%0.81372%0.718SS**SBendtrans-124.640.6-173.5-147.524.4000111.8
317G33.3Very low43.8Very low66 Ų66131.3 Ų131.368%0.6872%0.722SS**  trans-132.342.8-176.200000112.8
318T36Very low43.9Very low126 Ų126133.7 Ų133.777%0.77373%0.729SS**SBendtrans-156.6117.3166-60.50000108.8
319T35.4Very low43.7Very low118 Ų118138 Ų13872%0.72475%0.753SS**  trans66.7101.7160.756.30000120S321T319-S321 PolarHBondContact O-N 3.06Å
320D34.2Very low43.9Very low163 Ų163134.4 Ų134.487%0.87276%0.764SS**  -4103.4122.8-175.543000114.5
321S37.8Very low44.3Very low111 Ų111139.4 Ų139.478%0.77678%0.779SS**  trans-172119.9160-820000109.6T319T319-S321 PolarHBondContact O-N 3.06Å
322G35.3Very low44.4Very low71 Ų71137 Ų13773%0.73278%0.78SS**  trans-55.3153.2-174.400000115K324G322-K324 PolarHBondContact O-N 3.25Å
323I46.7Very low44.8Very low159 Ų159135 Ų13582%0.81579%0.79SS**  trans-52.9101.5173.4-58.6169.3000108.9L325I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.5Å
324K38.4Very low45.2Very low196 Ų196131.7 Ų131.785%0.85280%0.796SS**  trans-76.985.8172-167.6178.7-177.3-173.40108.3G322G322-K324 PolarHBondContact O-N 3.25Å
325L53.4Low45.4Very low147 Ų147131.1 Ų131.177%0.7780%0.798SS**PPolyproline II helixtrans-63.3133.7162.6-75.4154.7000108.2I323I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.5Å
326E55.2Low46.4Very low183 Ų183127 Ų12786%0.85579%0.791SS**PPolyproline II helixtrans-59.9129.4175.9-66.9-150128.200110.4V328E326-V328 PolarHBondContact O-N 2.99Å
327P50.5Low47.4Very low111 Ų111125.5 Ų125.572%0.72179%0.789SS**PPolyproline II helixtrans-70.6125.7180-12.527.1000110.2P329P327-P329 VanDerWaalsContact O-CD 3.32Å; P327-P329 WeakPolarHBondContact O-CD 3.44Å
328V54.5Low48.3Very low126 Ų126128 Ų12876%0.76479%0.793SS**PPolyproline II helixtrans-58.8120.8170.1-175.60000108.5E326 G330E326-V328 PolarHBondContact O-N 2.99Å; V328-G330 PolarHBondContact O-N 3.19Å
329P47.1Very low49Very low130 Ų130127.8 Ų127.884%0.84479%0.794SS**THydrogen-bonded Turntrans-61.2118.6178.3-23.133.8000110.7P327P327-P329 VanDerWaalsContact O-CD 3.32Å; P327-P329 WeakPolarHBondContact O-CD 3.44Å
330G54.9Low49.1Very low80 Ų80127.5 Ų127.583%0.82580%0.804SS**THydrogen-bonded Turntrans128.7517000000117.7V328V328-G330 PolarHBondContact O-N 3.19Å
331L54.5Low49.3Very low157 Ų157123 Ų12382%0.82279%0.789SS**  trans-105.8126.3175.9-144.574.8000111.1G333L331-G333 PolarHBondContact O-N 2.99Å
332P50.6Low49.2Very low120 Ų120125.9 Ų125.978%0.77979%0.791SS**PPolyproline II helixtrans-62.8136-179.415.2-18.1000111.2
333G57.4Low49.2Very low72 Ų72130.6 Ų130.674%0.74279%0.793SS**PPolyproline II helixtrans-58.5152.2-164.700000116.2L331L331-G333 PolarHBondContact O-N 2.99Å
334A53.4Low48.6Very low107 Ų107131.5 Ų131.588%0.88479%0.794SS**PPolyproline II helixtrans-61.5130.4177.800000111.7
335L48.5Very low48.6Very low163 Ų163127 Ų12785%0.85379%0.793SS**PPolyproline II helixtrans-63145.9176.8-71.9163.1000111.5
336P60.1Low47.9Very low110 Ų110125.2 Ų125.271%0.71479%0.793SS**PPolyproline II helixtrans-68.4150.5179.329.1-34000111.7
337P57.9Low47.4Very low119 Ų119121.1 Ų121.177%0.77379%0.791SS**PPolyproline II helixtrans-70.5140.2177.230.4-32.7000110.1
338P53.4Low47.3Very low119 Ų119122.9 Ų122.977%0.77379%0.794SS**PPolyproline II helixtrans-74.9150.6179.230.1-32.2000111.5
339P49Very low47.2Very low122 Ų122127 Ų12779%0.79280%0.798SS**PPolyproline II helixtrans-74148.3-175.730.8-33.3000112.1A341P339-A341 PolarHBondContact O-N 3.37Å
340A37.9Very low47.1Very low111 Ų111128.7 Ų128.792%0.91779%0.792SS**  trans-77108.117300000109.6
341A38.8Very low46.6Very low69 Ų69132.9 Ų132.957%0.5780%0.795SS**  trans-164.1112.3171.200000111.1P339P339-A341 PolarHBondContact O-N 3.37Å
342E35.5Very low46.5Very low172 Ų172132.3 Ų132.380%0.80479%0.792SS**  trans48.3121.2131.235.6-166.6173.300120.4
343E36Very low46.6Very low169 Ų169132.6 Ų132.679%0.7979%0.794SS**  trans68.8122.9147.4-69.1-178.414200120.6
344E34Very low46Very low179 Ų179135.1 Ų135.184%0.83680%0.797SS**  trans46.8100.4138.2-56.1-166.2150.200118.6
345A39.1Very low45.7Very low101 Ų101136.2 Ų136.284%0.83580%0.799SS**  177.3133.3121.700000112.1
346S38.8Very low45.6Very low109 Ų109131.8 Ų131.876%0.76279%0.792SS**  trans-46.6129.6169.351.50000115.3
347A43.8Very low45.1Very low97 Ų97132.7 Ų132.780%0.80280%0.798SS**  trans-146.385154.100000110.6Y349A347-Y349 PolarHBondContact O-N 2.72Å; A347-Y349 VanDerWaalsContact O-N 3.16Å
348N48.1Very low44.3Very low149 Ų149133.2 Ų133.280%0.79780%0.801SS**  trans-67.4101170.6-67.1-52.1000109.8
349Y52.9Low43.7Very low213 Ų213132 Ų13284%0.83580%0.801SS**  trans-83.9-16.1176.2-170.4-100000113.3A347A347-Y349 PolarHBondContact O-N 2.72Å; A347-Y349 VanDerWaalsContact O-N 3.16Å
350F44.4Very low43.2Very low165 Ų165133 Ų13372%0.72481%0.805SS**SBendtrans-117.6108.2174.3-99.1-92.7000110.5L352F350-L352 PolarHBondContact O-N 3.05Å
351N44Very low43.6Very low168 Ų168133.5 Ų133.590%0.89880%0.796SS**  trans-64.874.5-168.3-143.1-26.8000113.6
352L53.3Low43.6Very low145 Ų145138.4 Ų138.476%0.75981%0.813SS**  trans-135.9129.9177-78.7139.8000111.5F350F350-L352 PolarHBondContact O-N 3.05Å
353P52.9Low44Very low125 Ų125136 Ų13681%0.81280%0.804SS**  trans-80.5149.1-165.431.3-35.3000114.3
354P45.2Very low44Very low125 Ų125132.9 Ų132.981%0.81281%0.808SS**  trans-106.8143.1-171.138.3-29.3000114.6
355S46Very low44.9Very low131 Ų131131.6 Ų131.692%0.91681%0.805SS**  trans-167.4137.3157.360.50000107.7
356G46.4Very low45.7Very low69 Ų69131.9 Ų131.971%0.71180%0.799SS**  cis-166.1172.6-1.500000107.1
357P49.3Very low46.5Very low130 Ų130132.3 Ų132.384%0.84480%0.799SS**  trans-93.8173.6-145.337.6-36.9000115.8
358P40.6Very low47.8Very low129 Ų129133.3 Ų133.384%0.83880%0.797SS**  trans-96.7148-156.336.8-30.5000113.3
359A42.3Very low48.1Very low93 Ų93132.1 Ų132.177%0.76980%0.798SS**  trans-119.2116.916700000110.2
360V38.2Very low47.6Very low143 Ų143125.8 Ų125.887%0.86780%0.798SS**  trans-40.7127.6160.9-99.70000112.8
361V45.4Very low48Very low122 Ų122125.9 Ų125.974%0.73980%0.804SS**  trans-155.2120.2145.9-112.60000110.7I363V361-I363 PolarHBondContact O-N 3.28Å
362N38.9Very low48.5Very low172 Ų172122.1 Ų122.192%0.9280%0.796SS**  trans-49.9126.9160-99-14.3000110
363I45.3Very low49Very low122 Ų122120.7 Ų120.763%0.62680%0.795SS**  trans-139.1102.1168-56.8-178.4000109V361 L365V361-I363 PolarHBondContact O-N 3.28Å; I363-L365 HydrophobicContact CG2-CB 4.05Å; I363-L365 HydrophobicContact CG2-CD1 3.21Å; I363-L365 HydrophobicContact CG2-CG 4.12Å
364A36.2Very low49.9Very low104 Ų104120.5 Ų120.586%0.8679%0.794SS**  trans-67.6124.6150.900000107.7
365L51.4Low51.2Low151 Ų151120.1 Ų120.179%0.79179%0.792SS**  trans-138.1147.3173.6-128.281.9000110.4I363I363-L365 HydrophobicContact CG2-CB 4.05Å; I363-L365 HydrophobicContact CG2-CD1 3.21Å; I363-L365 HydrophobicContact CG2-CG 4.12Å
366P56.2Low52.1Low108 Ų108119.4 Ų119.470%0.70178%0.784SS**  trans-95.7-179.4-154.243.7-39.3000112.8
367P55.9Low52.4Low117 Ų117122.6 Ų122.676%0.7679%0.792SS**PPolyproline II helixtrans-80.1161.4-165.833.6-30.9000113
368P70.2Confident52.6Low118 Ų118119.9 Ų119.977%0.76679%0.788SS**PPolyproline II helixtrans-75.3153.4-171.430.7-34.7000112.9
369P55.2Low52.9Low124 Ų124124.5 Ų124.581%0.80580%0.795SS**PPolyproline II helixtrans-72.7142.5178.9114.4000111.6
370G43.1Very low53Low81 Ų81123.4 Ų123.484%0.83579%0.793SS**PPolyproline II helixtrans-60.3133.8-174.200000115.2
371I52.9Low53.3Low167 Ų167121.4 Ų121.486%0.85678%0.783SS**  trans-119.1114.9155.1-63.3175.4000105.4
372A54.1Low53.3Low88 Ų88123.1 Ų123.173%0.72778%0.783SS**PPolyproline II helixtrans-64.8143.9-176.300000111.8
373P63.4Low53.9Low115 Ų115123.6 Ų123.675%0.74778%0.781SS**PPolyproline II helixtrans-76.1148173.331.8-32.6000110.9
374P71.5Confident53.9Low121 Ų121127.3 Ų127.379%0.78679%0.794SS**PPolyproline II helixtrans-69.5144.617429.7-33.1000110.8
375P72.5Confident54.8Low118 Ų118130.5 Ų130.577%0.76679%0.79SS**PPolyproline II helixtrans-73.9156.117930.2-33.6000112.3
376P64.8Low54.9Low116 Ų116129.3 Ų129.375%0.75379%0.791SS**PPolyproline II helixtrans-75.5161.1-175.831-34000113G378P376-G378 PolarHBondContact O-N 3.1Å
377P54Low54.7Low135 Ų135133.3 Ų133.388%0.87780%0.803SS**  trans-74.3113.8-169.8-5.321.6000111.5
378G51.9Low54.8Low74 Ų74130.7 Ų130.776%0.76380%0.798SS**  trans-87.2131.7170.600000111.9P376 G380P376-G378 PolarHBondContact O-N 3.1Å; G378-G380 PolarHBondContact O-N 3.46Å
379F47Very low54.5Low226 Ų226131.1 Ų131.199%0.99180%0.8SS**  trans-53.4125.2166-93.3-109000111.1
380G46.1Very low55.1Low70 Ų70130.9 Ų130.972%0.72280%0.799SS**  trans-165.8128.1171.800000109.8G378G378-G380 PolarHBondContact O-N 3.46Å
381P44.6Very low56Low101 Ų101132.5 Ų132.566%0.65679%0.794SS**  trans-106.4152.1-154.546-39.8000112.8
382H43.5Very low55.6Low158 Ų158129.4 Ų129.473%0.73179%0.785SS**  trans33.3106.3161.354.9-93000119.2
383M51.3Low55.3Low181 Ų181134.7 Ų134.789%0.89279%0.792SS**  trans-137.9122.4142.7-76.6-150.1-172.200111
384F46.8Very low54.6Low201 Ų201138.3 Ų138.388%0.88280%0.801SS**  trans-65.5127.3170.6-90.4-107000110.2
385H54.8Low53.3Low171 Ų171144.6 Ų144.679%0.79281%0.809SS**  trans-127.2135.5157.3-80.2-14.1000110.5
386P52.8Low52.1Low125 Ų125143 Ų14381%0.81281%0.806SS**PPolyproline II helixtrans-81.7143.5-169.634.4-35.3000111.9G388P386-G388 PolarHBondContact O-N 3.33Å
387M51.8Low51.7Low193 Ų193143.6 Ų143.695%0.95181%0.81SS**PPolyproline II helixtrans-65.3119.1178.3-70.3-75.5-169.100111.6
388G58.3Low52Low62 Ų62139.7 Ų139.764%0.63980%0.795SS**PPolyproline II helixtrans-79.8155.7161.700000111.6P386P386-G388 PolarHBondContact O-N 3.33Å
389P64.9Low52.6Low127 Ų127142.5 Ų142.583%0.82580%0.799SS**PPolyproline II helixtrans-77.9150.1-170.932.3-33.5000112.3
390P67.9Low53.2Low119 Ų119138 Ų13877%0.77378%0.784SS**PPolyproline II helixtrans-78.3152.817932.5-32.7000111.8
391P61.7Low53.8Low114 Ų114141.1 Ų141.174%0.7478%0.78SS**PPolyproline II helixtrans-71.2152.8-176.730.9-36000112.2
392P43.6Very low54.7Low103 Ų103142.2 Ų142.267%0.66977%0.771SS**SBendtrans-71.7161.3174.933.7-31.9000108.9
393F47.9Very low55.7Low199 Ų199139 Ų13987%0.87377%0.765SS**  trans90.757.3-178.7-54.3-79.5000116.9
394M48.2Very low56.5Low190 Ų190134.3 Ų134.394%0.93675%0.75SS**  trans-144.2121.6135.6-80.1-150.5160.200110.1A396M394-A396 PolarHBondContact O-N 3.39Å
395R44.4Very low57.2Low253 Ų253130.7 Ų130.796%0.95574%0.735SS**PPolyproline II helixtrans-59.9116.7-178.3-141.7173.3-174.8-172.10.9108.9
396A48.6Very low57.5Low85 Ų85125.8 Ų125.870%0.70272%0.715SS**PPolyproline II helixtrans-59.8137.5176.300000110.6M394 G398M394-A396 PolarHBondContact O-N 3.39Å; A396-G398 PolarHBondContact O-N 2.92Å
397P54.9Low57.8Low129 Ų129125.3 Ų125.384%0.83871%0.712SS**PPolyproline II helixtrans-65.4121.9166.626.5-28.4000107.7
398G61.2Low58.3Low53 Ų53124.7 Ų124.755%0.54671%0.707SS.*PPolyproline II helixtrans-56.5163.6179.200000112.8A396 I400A396-G398 PolarHBondContact O-N 2.92Å; G398-I400 PolarHBondContact O-N 3.23Å
399P64.5Low58.3Low133 Ų133131.3 Ų131.386%0.86471%0.713SS**PPolyproline II helixtrans-58.2126-176.723.6-31.7000110.5H401P399-H401 PolarHBondContact O-N 3.3Å
400I58.5Low57.6Low131 Ų131133.2 Ų133.267%0.67271%0.713SS**  trans-63.9103.3176.2-61.4171.4000108G398 Y402G398-I400 PolarHBondContact O-N 3.23Å; I400-Y402 HydrophobicContact CG2-CD2 3.97Å; I400-Y402 HydrophobicContact CG2-CE2 3.72Å; I400-Y402 PolarHBondContact O-N 3.21Å
401H58.8Low56.3Low135 Ų135131.4 Ų131.463%0.62572%0.716SS**  trans-70.9109.9175.6-177.669.4000109.6P399P399-H401 PolarHBondContact O-N 3.3Å
402Y65.1Low55.5Low124 Ų124130.7 Ų130.749%0.48672%0.719SS.*  trans-88.7133.4174.7-91.6-88.9000110.1I400 S404 Q405I400-Y402 HydrophobicContact CG2-CD2 3.97Å; I400-Y402 HydrophobicContact CG2-CE2 3.72Å; I400-Y402 PolarHBondContact O-N 3.21Å; Y402-S404 PolarHBondContact O-N 2.79Å; Y402-Q405 WeakPolarHBondContact O-CB 3.38Å; Y402-Q405 PolarHBondContact O-N 3.09Å
403P63.4Low55.5Low91 Ų91135.4 Ų135.459%0.59173%0.732SS**THydrogen-bonded Turntrans-58.91.2175.6-26.735000116.5
404S68.6Low55.5Low82 Ų82130.3 Ų130.357%0.57373%0.726SS**THydrogen-bonded Turntrans-95.9-2.8172.865.50000113.5Y402Y402-S404 PolarHBondContact O-N 2.79Å
405Q60.3Low55.2Low125 Ų125124.8 Ų124.858%0.58472%0.719SS**SBendtrans-95.20.8176.9-67.3-178.9-0.500112.8Y402 P407Y402-Q405 WeakPolarHBondContact O-CB 3.38Å; Y402-Q405 PolarHBondContact O-N 3.09Å; Q405-P407 VanDerWaalsContact O-CD 3.24Å; Q405-P407 WeakPolarHBondContact O-CD 3.4Å
406D61.2Low55.2Low68 Ų68122.4 Ų122.436%0.36472%0.715SS.*  trans-82.6109.7175.1-167-14.5000110.2Q408 R409D406-Q408 PolarHBondContact O-N 3.19Å; D406-Q408 VanDerWaalsContact O-N 3.17Å; D406-Q408 PolarHBondContact OD1-N 3.28Å; D406-Q408 VanDerWaalsContact OD1-N 3.11Å; D406-R409 PolarHBondContact O-N 3.38Å
407P59.5Low55Low115 Ų115127.3 Ų127.375%0.74772%0.723SS**G310 helixtrans-65.4-14.9-179.2-16.631.8000113.1Q405Q405-P407 VanDerWaalsContact O-CD 3.24Å; Q405-P407 WeakPolarHBondContact O-CD 3.4Å
408Q63.4Low54.6Low180 Ų180126.5 Ų126.584%0.84172%0.72SS**G310 helixtrans-83.4-7.5-177.6-68.1-178.3-33.600114D406D406-Q408 PolarHBondContact O-N 3.19Å; D406-Q408 VanDerWaalsContact O-N 3.17Å; D406-Q408 PolarHBondContact OD1-N 3.28Å; D406-Q408 VanDerWaalsContact OD1-N 3.11Å
409R57.7Low54.5Low202 Ų202129 Ų12976%0.76273%0.729SS**G310 helixtrans-99.7-4.4-177.3-150.8175.7-170.3-151.44.3114.6D406D406-R409 PolarHBondContact O-N 3.38Å
410M49.2Very low54.1Low167 Ų167132.1 Ų132.182%0.82375%0.75SS**SBendtrans-100.8102.9176.6-71.6-122.1-106.300110.7
411G40.6Very low53.9Low81 Ų81132.2 Ų132.284%0.83575%0.754SS**  trans94.181.6159.500000116.3
412A44.9Very low53.6Low99 Ų99132.1 Ų132.182%0.81876%0.761SS**  trans-134.361.2159.900000110.6
413H43.7Very low53Low201 Ų201132.5 Ų132.593%0.93178%0.776SS**  trans-103.767.8151.7-83-67.1000107.6G415H413-G415 PolarHBondContact O-N 2.97Å
414A48.9Very low52.3Low92 Ų92134.9 Ų134.976%0.7679%0.787SS**  trans-78.1106161.500000107K416A414-K416 PolarHBondContact O-N 3.4Å
415G41Very low51.3Low75 Ų75138.3 Ų138.377%0.77380%0.8SS**  trans-59.3117172.300000110.2H413H413-G415 PolarHBondContact O-N 2.97Å
416K46Very low50.7Low202 Ų202139.1 Ų139.188%0.87881%0.814SS**  trans-88.997.2159.2-76.3-173175.7-176.80107.4A414A414-K416 PolarHBondContact O-N 3.4Å
417H43.6Very low50Low189 Ų189144.2 Ų144.288%0.87585%0.847SS**  trans-71.8119.7154.6-97.7-79.3000107.9
418S46.9Very low49.2Very low111 Ų111146.5 Ų146.578%0.77685%0.854SS**  trans-140.6114.9156.255.60000107.2
419S58Low48.1Very low105 Ų105143.7 Ų143.773%0.73486%0.855SS**  trans-129.9158.5165.1-67.90000106.2
420P56.1Low47.2Very low200 Ų200138.4 Ų138.4100%1.29986%0.864SS**  cis-87.602.932.1-27.3000114.9

Retrieved 420 of 420 residues in 834.2 ms (Link to these results)