GIMA7_HUMAN Loading...

GTPase IMAP family member 7

The dimer has GTPase activity; the active site contains residues from both subunits.

AlphaFold DB , UniProt , Accession Q8NHV1, Species HUMAN (Homo sapiens, Human), Gene GIMAP7, Length 300 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
1M29.5Very low68.8Low242 Ų24299.9 Ų99.9100%1.19253%0.526SS*.  0117.60-74.7167.8157.200105.6E3M1-E3 PolarHBondContact O-N 2.92Å
2A29.1Very low71.3Confident100 Ų10091.9 Ų91.983%0.82648%0.484SS*.  trans-60.4121.7170.300000106.3S4A2-S4 PolarHBondContact O-N 3.42Å
3E37.2Very low73.4Confident188 Ų18884.8 Ų84.888%0.87945%0.447SS*.  trans-50.9116.5162.4-83177149.800105.4M1 E5M1-E3 PolarHBondContact O-N 2.92Å; E3-E5 PolarHBondContact O-N 3.14Å
4S47.7Very low75Confident109 Ų10979.4 Ų79.476%0.76242%0.419SS*.  trans-55.3114.8172.554.50000106.2A2 D6A2-S4 PolarHBondContact O-N 3.42Å; S4-D6 PolarHBondContact O-N 2.77Å
5E58Low76.3Confident161 Ų16174.1 Ų74.175%0.75239%0.391SS*.  trans-46.1119.8173.9-82.5178.8148.900107.7E3 R7E3-E5 PolarHBondContact O-N 3.14Å; E5-R7 WeakPolarHBondContact O-CG 3.44Å; E5-R7 PolarHBondContact O-N 3.31Å
6D76.8Confident77.3Confident85 Ų8571.6 Ų71.646%0.45538%0.376SS..  trans-61.599.5177.5177.914.4000107.8S4 S8 R10S4-D6 PolarHBondContact O-N 2.77Å; D6-S8 PolarHBondContact O-N 2.97Å; D6-S8 WeakPolarHBondContact OD1-CB 3.19Å; D6-S8 PolarHBondContact OD1-N 3.39Å; D6-S8 PolarHBondContact OD1-OG 3.09Å; D6-R10 IonicContact OD2-CZ 3.76Å; D6-R10 IonicContact OD2-NH1 3.33Å; D6-R10 PolarHBondContact OD2-NH1 3.36Å; D6-R10 IonicContact OD2-NH2 3.51Å
7R89.3Confident78.1Confident168 Ų16869.6 Ų69.663%0.63437%0.367SS*.  trans-80.76.8178.9-59.3-169.3-179.6169.4-2.5112.4E5 G56 R57 D58E5-R7 WeakPolarHBondContact O-CG 3.44Å; E5-R7 PolarHBondContact O-N 3.31Å; R7-G56 VanDerWaalsContact CD-O 3.31Å; R7-G56 WeakPolarHBondContact CD-O 3.44Å; R7-R57 WeakPolarHBondContact O-CA 2.91Å; R7-R57 WeakPolarHBondContact O-CB 3.35Å; R7-D58 PolarHBondContact O-N 3.41Å; R7-D58 VanDerWaalsContact O-N 3.15Å
8S94Very high78.9Confident35 Ų3569.2 Ų69.225%0.24538%0.383CS..EExtended strand (participates in β ladder)trans-80.1126.8-177.3-40.10000110.5D6 D58 H93D6-S8 PolarHBondContact O-N 2.97Å; D6-S8 WeakPolarHBondContact OD1-CB 3.19Å; D6-S8 PolarHBondContact OD1-N 3.39Å; D6-S8 PolarHBondContact OD1-OG 3.09Å; S8-D58 CarbonylContact C-O 3.53Å; S8-D58 VanDerWaalsContact CA-O 3.31Å; S8-D58 WeakPolarHBondContact CA-O 3.36Å; S8-H93 PolarHBondContact O-CE1 2.94Å
9L97.8Very high79.7Confident1 Ų165.6 Ų65.61%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-103.1104.6171-168.170.3000109.7I11 D58 L59 L60 H93 V186 I189L9-I11 HydrophobicContact CD2-CD1 4.15Å; L9-I11 HydrophobicContact CD2-CG1 4.44Å; L9-I11 HydrophobicContact CG-CD1 4.45Å; L9-I11 HydrophobicContact CG-CG1 4.24Å; L9-D58 PolarHBondContact N-O 2.99Å; L9-L59 HydrophobicContact CB-CD2 3.81Å; L9-L59 HydrophobicContact CD2-CD2 3.85Å; L9-L59 HydrophobicContact CG-CD2 4.41Å; L9-L60 PolarHBondContact O-N 2.66Å; L9-H93 HydrophobicContact CD1-CB 3.62Å; L9-H93 HydrophobicContact CG-CB 4.44Å; L9-V186 HydrophobicContact CD2-CG1 3.95Å; L9-V186 HydrophobicContact CD2-CG2 4.47Å; L9-I189 HydrophobicContact CD1-CG2 3.75Å; L9-I189 HydrophobicContact CD2-CB 4.48Å; L9-I189 HydrophobicContact CD2-CG2 4.06Å; L9-I189 HydrophobicContact CG-CG2 4.27Å
10R98.6Very high80.6Confident10 Ų1063.5 Ų63.54%0.03836%0.356CS..EExtended strand (participates in β ladder)trans-89.2114.2-178.5-65.7177.5-65.7-82-0.8111.4D6 L60 G91 H93 A94 Y200D6-R10 IonicContact OD2-CZ 3.76Å; D6-R10 IonicContact OD2-NH1 3.33Å; D6-R10 PolarHBondContact OD2-NH1 3.36Å; D6-R10 IonicContact OD2-NH2 3.51Å; R10-L60 WeakPolarHBondContact CA-O 3.3Å; R10-L60 HydrophobicContact CG-CB 4.17Å; R10-L60 HydrophobicContact CG-CD2 4.29Å; R10-G91 PolarHBondContact NE-O 3.18Å; R10-G91 PolarHBondContact NH2-O 3.49Å; R10-G91 VanDerWaalsContact NH2-O 3.17Å; R10-H93 VanDerWaalsContact CZ-CE1 3.49Å; R10-H93 PolarHBondContact N-ND1 3.47Å; R10-H93 VanDerWaalsContact N-ND1 3.12Å; R10-H93 PolarHBondContact NH2-CE1 3.39Å; R10-H93 PolarHBondContact O-N 3.11Å; R10-A94 PolarHBondContact O-N 3.44Å; R10-Y200 VanDerWaalsContact NH2-CG 3.26Å
11I98.8Very high81.4Confident0 Ų061 Ų610%034%0.342CS..EExtended strand (participates in β ladder)trans-118.7123.4-175.5-51.3176.4000108.7L9 L13 L60 V61 V62 A94 V96 I189L9-I11 HydrophobicContact CD2-CD1 4.15Å; L9-I11 HydrophobicContact CD2-CG1 4.44Å; L9-I11 HydrophobicContact CG-CD1 4.45Å; L9-I11 HydrophobicContact CG-CG1 4.24Å; I11-L13 HydrophobicContact CG2-CD2 4.07Å; I11-L60 PolarHBondContact N-O 3.28Å; I11-V61 WeakPolarHBondContact O-CA 3.47Å; I11-V62 PolarHBondContact O-N 3.01Å; I11-A94 HydrophobicContact CG2-CB 4.48Å; I11-V96 HydrophobicContact CG2-CB 4.49Å; I11-V96 HydrophobicContact CG2-CG2 3.52Å; I11-I189 HydrophobicContact CD1-CD1 3.75Å; I11-I189 HydrophobicContact CG1-CD1 4.03Å; I11-I189 HydrophobicContact CG2-CD1 4.42Å
12V98.5Very high84.7Confident4 Ų450.1 Ų50.12%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-108.3124.2175.4178.80000109.2V14 V62 T64 C84 P92 A94 V96V12-V14 HydrophobicContact CG1-CG1 3.93Å; V12-V62 HydrophobicContact CG1-CB 4.49Å; V12-V62 HydrophobicContact CG2-CB 4.09Å; V12-V62 HydrophobicContact CG2-CG2 4.23Å; V12-T64 HydrophobicContact CG1-CG2 4.11Å; V12-C84 WeakPolarHBondContact CG1-SG 3.34Å; V12-P92 HydrophobicContact CG2-CB 3.86Å; V12-A94 PolarHBondContact N-O 3.36Å; V12-V96 PolarHBondContact O-N 2.99Å
13L98.6Very high88Confident0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-93.1122.4176.4-53.3-174.6000109.8I11 K21 T24 A25 I28 V61 V62 T64 V96 V98I11-L13 HydrophobicContact CG2-CD2 4.07Å; L13-K21 HydrophobicContact CB-CB 4.39Å; L13-K21 VanDerWaalsContact CD1-O 3.28Å; L13-K21 WeakPolarHBondContact CD1-O 3.5Å; L13-T24 HydrophobicContact CD1-CG2 4.25Å; L13-A25 HydrophobicContact CD1-CB 3.68Å; L13-I28 HydrophobicContact CD2-CD1 4.4Å; L13-V61 HydrophobicContact CD1-CG1 4.09Å; L13-V61 HydrophobicContact CG-CG1 4.2Å; L13-V62 PolarHBondContact N-O 2.84Å; L13-T64 WeakPolarHBondContact O-CB 3.25Å; L13-T64 VanDerWaalsContact O-CG2 3.24Å; L13-T64 WeakPolarHBondContact O-CG2 3.5Å; L13-T64 PolarHBondContact O-OG1 2.78Å; L13-V96 HydrophobicContact CD2-CB 3.73Å; L13-V96 HydrophobicContact CD2-CG1 4.07Å; L13-V96 HydrophobicContact CD2-CG2 4.2Å; L13-V98 HydrophobicContact CB-CG2 4.2Å; L13-V98 HydrophobicContact CD2-CG2 4.35Å
14V96.8Very high90.9Very high8 Ų837.5 Ų37.55%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-126.9156.1179.1-63.50000111.3V12 T64 I95 V96 L97 V98 T111 I115V12-V14 HydrophobicContact CG1-CG1 3.93Å; V14-T64 HydrophobicContact CG1-CG2 4.49Å; V14-I95 HydrophobicContact CG1-CG2 4.47Å; V14-I95 HydrophobicContact CG2-CG2 3.78Å; V14-V96 WeakPolarHBondContact CG2-O 3.46Å; V14-V96 PolarHBondContact N-O 3.3Å; V14-L97 HydrophobicContact CG2-CD1 4.28Å; V14-V98 PolarHBondContact O-N 3.33Å; V14-T111 HydrophobicContact CB-CG2 4.43Å; V14-I115 HydrophobicContact CB-CD1 4.37Å; V14-I115 HydrophobicContact CG2-CD1 3.77Å
15G94.2Very high93.3Very high0 Ų032.3 Ų32.30%018%0.181CC..  trans145.5177.1-179.500000112.2K21G15-K21 PolarHBondContact O-NZ 2.99Å
16K92Very high95.3Very high35 Ų3525.2 Ų25.215%0.15215%0.148CC..  trans-66.9166-177.368.8176.8178.5-160.90113.5S19 K21 T105 E107 E108K16-S19 PolarHBondContact O-N 3.5Å; K16-S19 PolarHBondContact O-OG 3.03Å; K16-K21 PolarHBondContact O-NZ 2.93Å; K16-T105 VanDerWaalsContact NZ-CG2 3.32Å; K16-T105 PolarHBondContact NZ-OG1 3.39Å; K16-E107 HydrophobicContact CB-CB 3.95Å; K16-E107 HydrophobicContact CD-CB 4.33Å; K16-E108 HydrophobicContact CD-CG 4.35Å; K16-E108 WeakPolarHBondContact CE-OE1 3.39Å; K16-E108 HydrophobicContact CG-CG 4.35Å; K16-E108 IonicContact NZ-OE1 2.77Å; K16-E108 PolarHBondContact NZ-OE1 3.25Å
17T91.3Very high96.3Very high38 Ų3821.6 Ų21.623%0.23313%0.129CC..THydrogen-bonded Turntrans-58.4137.1169.3-57.50000110S19 A42 D69T17-S19 VanDerWaalsContact C-N 3.31Å; T17-S19 PolarHBondContact O-N 3.5Å; T17-A42 HydrophobicContact CG2-CB 4.04Å; T17-D69 WeakPolarHBondContact CB-OD2 3.27Å; T17-D69 PolarHBondContact OG1-OD2 3.28Å
18G92Very high96.7Very high62 Ų6213.7 Ų13.764%0.63910%0.099SC*.THydrogen-bonded Turntrans78.92.6175.600000116G20G18-G20 PolarHBondContact O-N 3.28Å
19S94.8Very high97Very high1 Ų112.3 Ų12.31%0.0079%0.089CC..SBendtrans-72.7-7.8175.868.10000114.5K16 T17 V98 T132K16-S19 PolarHBondContact O-N 3.5Å; K16-S19 PolarHBondContact O-OG 3.03Å; T17-S19 VanDerWaalsContact C-N 3.31Å; T17-S19 PolarHBondContact O-N 3.5Å; S19-V98 WeakPolarHBondContact CB-O 3.33Å; S19-V98 PolarHBondContact OG-O 3.42Å; S19-T132 VanDerWaalsContact O-CG2 3.26Å; S19-T132 WeakPolarHBondContact O-CG2 2.91Å; S19-T132 PolarHBondContact O-OG1 2.79Å
20G96.3Very high97Very high23 Ų2313.8 Ų13.824%0.23710%0.104CC..SBendtrans96.119.4178.300000115.1G18 A23 T24G18-G20 PolarHBondContact O-N 3.28Å; G20-A23 PolarHBondContact O-N 3.12Å; G20-T24 WeakPolarHBondContact O-CB 3.24Å; G20-T24 PolarHBondContact O-N 3.42Å; G20-T24 PolarHBondContact O-OG1 3.46Å; G20-T24 VanDerWaalsContact O-OG1 3.11Å
21K97.7Very high96.9Very high12 Ų1219.6 Ų19.65%0.05213%0.132CC..Hα-helixtrans-51.5-57.8179.4-60.3-169.6-62.4-770113.8L13 G15 K16 A23 T24 A25 D63 T64 V98L13-K21 HydrophobicContact CB-CB 4.39Å; L13-K21 VanDerWaalsContact CD1-O 3.28Å; L13-K21 WeakPolarHBondContact CD1-O 3.5Å; G15-K21 PolarHBondContact O-NZ 2.99Å; K16-K21 PolarHBondContact O-NZ 2.93Å; K21-A23 VanDerWaalsContact C-N 3.27Å; K21-A23 PolarHBondContact O-N 3.25Å; K21-T24 CarbonylContact O-C 3.21Å; K21-T24 WeakPolarHBondContact O-CA 3.43Å; K21-T24 WeakPolarHBondContact O-CB 3.45Å; K21-T24 PolarHBondContact O-N 3.1Å; K21-T24 VanDerWaalsContact O-N 3.09Å; K21-A25 PolarHBondContact O-N 3Å; K21-D63 VanDerWaalsContact CB-OD1 3.27Å; K21-D63 WeakPolarHBondContact CB-OD1 3.45Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; K21-V98 HydrophobicContact CG-CB 3.91Å; K21-V98 HydrophobicContact CG-CG1 4.25Å; K21-V98 HydrophobicContact CG-CG2 4.09Å
22S98.2Very high96.8Very high13 Ų1325.7 Ų25.79%0.09116%0.16CC..Hα-helixtrans-62.6-34.6179.9-41.50000112.5A25 N26 T44 D63S22-A25 PolarHBondContact O-N 2.65Å; S22-N26 PolarHBondContact O-N 2.86Å; S22-N26 PolarHBondContact O-ND2 3.02Å; S22-T44 PolarHBondContact OG-OG1 3.25Å; S22-D63 WeakPolarHBondContact CA-OD2 3.26Å; S22-D63 VanDerWaalsContact CB-OD2 3.26Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact OG-OD2 3.42Å
23A98.4Very high96.8Very high23 Ų2329.1 Ų29.119%0.1918%0.178CC..Hα-helixtrans-67.2-41174.900000111.6G20 K21 N26 T27 N169G20-A23 PolarHBondContact O-N 3.12Å; K21-A23 VanDerWaalsContact C-N 3.27Å; K21-A23 PolarHBondContact O-N 3.25Å; A23-N26 PolarHBondContact O-N 3.04Å; A23-T27 PolarHBondContact O-N 3.41Å; A23-T27 PolarHBondContact O-OG1 3.35Å; A23-T27 VanDerWaalsContact O-OG1 3.12Å; A23-N169 HydrophobicContact CB-CB 3.83Å; A23-N169 PolarHBondContact O-OD1 3.41Å
24T98.7Very high96.8Very high0 Ų029.6 Ų29.60%018%0.18CC..Hα-helixtrans-63.3-43.6172.8-64.30000111L13 G20 K21 N26 T27 I28 L130 T132 F167 N169L13-T24 HydrophobicContact CD1-CG2 4.25Å; G20-T24 WeakPolarHBondContact O-CB 3.24Å; G20-T24 PolarHBondContact O-N 3.42Å; G20-T24 PolarHBondContact O-OG1 3.46Å; G20-T24 VanDerWaalsContact O-OG1 3.11Å; K21-T24 CarbonylContact O-C 3.21Å; K21-T24 WeakPolarHBondContact O-CA 3.43Å; K21-T24 WeakPolarHBondContact O-CB 3.45Å; K21-T24 PolarHBondContact O-N 3.1Å; K21-T24 VanDerWaalsContact O-N 3.09Å; T24-N26 PolarHBondContact O-N 3.2Å; T24-T27 PolarHBondContact O-N 2.95Å; T24-I28 HydrophobicContact CG2-CD1 3.92Å; T24-I28 HydrophobicContact CG2-CG1 4.49Å; T24-I28 VanDerWaalsContact O-CG1 3.3Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 3.16Å; T24-L130 HydrophobicContact CG2-CD1 3.61Å; T24-L130 HydrophobicContact CG2-CD2 3.84Å; T24-L130 HydrophobicContact CG2-CG 4.42Å; T24-T132 WeakPolarHBondContact OG1-CG2 3.33Å; T24-F167 HydrophobicContact CG2-CD2 3.96Å; T24-F167 HydrophobicContact CG2-CE2 4.18Å; T24-N169 PolarHBondContact N-ND2 3.44Å; T24-N169 PolarHBondContact OG1-ND2 3.36Å
25A98.8Very high96.7Very high0 Ų032.7 Ų32.70%020%0.196CC..Hα-helixtrans-57.9-48.7174.800000111.6L13 K21 S22 T27 I28 L29 F34 V61 D63L13-A25 HydrophobicContact CD1-CB 3.68Å; K21-A25 PolarHBondContact O-N 3Å; S22-A25 PolarHBondContact O-N 2.65Å; A25-T27 VanDerWaalsContact C-N 3.32Å; A25-T27 PolarHBondContact O-N 3.46Å; A25-I28 PolarHBondContact O-N 3.38Å; A25-I28 VanDerWaalsContact O-N 3.12Å; A25-L29 HydrophobicContact CB-CD1 4.41Å; A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 WeakPolarHBondContact O-CD1 3.37Å; A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.9Å; A25-F34 HydrophobicContact CB-CD2 3.56Å; A25-F34 HydrophobicContact CB-CE2 3.76Å; A25-V61 HydrophobicContact CB-CG1 3.84Å; A25-D63 HydrophobicContact CB-CB 4.43Å
26N98.7Very high96.8Very high12 Ų1234.7 Ų34.76%0.06421%0.21CC..Hα-helixtrans-58.9-41.8176.4-70.3-19.8000112.3S22 A23 T24 L29 G30 E31 I33 F34 S36S22-N26 PolarHBondContact O-N 2.86Å; S22-N26 PolarHBondContact O-ND2 3.02Å; A23-N26 PolarHBondContact O-N 3.04Å; T24-N26 PolarHBondContact O-N 3.2Å; N26-L29 PolarHBondContact O-N 3.3Å; N26-G30 PolarHBondContact O-N 3.27Å; N26-E31 CarbonylContact C-O 3.59Å; N26-E31 WeakPolarHBondContact CA-O 3.43Å; N26-E31 WeakPolarHBondContact CB-O 3.45Å; N26-E31 PolarHBondContact O-N 3.23Å; N26-E31 VanDerWaalsContact O-O 3.08Å; N26-I33 PolarHBondContact OD1-N 2.89Å; N26-F34 PolarHBondContact ND2-O 2.89Å; N26-F34 PolarHBondContact OD1-N 3.42Å; N26-S36 PolarHBondContact ND2-OG 2.83Å
27T98.7Very high96.8Very high9 Ų940.2 Ų40.26%0.05523%0.23CC..Hα-helixtrans-62.1-42.6174.7-62.30000111.7A23 T24 A25 G30 F167 N169 K178 V182A23-T27 PolarHBondContact O-N 3.41Å; A23-T27 PolarHBondContact O-OG1 3.35Å; A23-T27 VanDerWaalsContact O-OG1 3.12Å; T24-T27 PolarHBondContact O-N 2.95Å; A25-T27 VanDerWaalsContact C-N 3.32Å; A25-T27 PolarHBondContact O-N 3.46Å; T27-G30 PolarHBondContact O-N 3.01Å; T27-F167 HydrophobicContact CG2-CD2 4.05Å; T27-F167 HydrophobicContact CG2-CE2 4.1Å; T27-N169 WeakPolarHBondContact CB-OD1 3.35Å; T27-N169 PolarHBondContact OG1-OD1 3.34Å; T27-K178 HydrophobicContact CG2-CB 3.93Å; T27-K178 HydrophobicContact CG2-CD 4.16Å; T27-K178 HydrophobicContact CG2-CG 3.99Å; T27-V182 HydrophobicContact CG2-CG2 4.26Å; T27-V182 WeakPolarHBondContact O-CG2 3.26Å
28I98.7Very high96.7Very high1 Ų146.3 Ų46.31%0.00526%0.26CS..Hα-helixtrans-63.9-43.3175.9-65.3165.6000111.1L13 T24 A25 G30 R52 L59 V61 F167 V182 L185L13-I28 HydrophobicContact CD2-CD1 4.4Å; T24-I28 HydrophobicContact CG2-CD1 3.92Å; T24-I28 HydrophobicContact CG2-CG1 4.49Å; T24-I28 VanDerWaalsContact O-CG1 3.3Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 3.16Å; A25-I28 PolarHBondContact O-N 3.38Å; A25-I28 VanDerWaalsContact O-N 3.12Å; I28-G30 PolarHBondContact O-N 2.9Å; I28-R52 WeakPolarHBondContact O-CD 3.28Å; I28-R52 PolarHBondContact O-NH1 3.25Å; I28-L59 HydrophobicContact CG2-CD1 4.16Å; I28-V61 HydrophobicContact CB-CG2 4.3Å; I28-V61 HydrophobicContact CG2-CG2 3.6Å; I28-F167 HydrophobicContact CG1-CE2 3.96Å; I28-F167 HydrophobicContact CG1-CZ 4.49Å; I28-V182 HydrophobicContact CG1-CG2 4.44Å; I28-L185 HydrophobicContact CD1-CD2 3.62Å; I28-L185 HydrophobicContact CG1-CD2 4.08Å
29L98.6Very high96.5Very high7 Ų745.7 Ų45.74%0.03725%0.249CC..Hα-helixtrans-72.9-15.5-179.3-65.7161.6000112.6A25 N26 E31 I33 F34 A50 R52 V61A25-L29 HydrophobicContact CB-CD1 4.41Å; A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 WeakPolarHBondContact O-CD1 3.37Å; A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.9Å; N26-L29 PolarHBondContact O-N 3.3Å; L29-E31 VanDerWaalsContact C-N 3.26Å; L29-E31 PolarHBondContact O-N 2.89Å; L29-I33 HydrophobicContact CB-CD1 3.98Å; L29-I33 HydrophobicContact CB-CG1 4.46Å; L29-I33 HydrophobicContact CD1-CB 4.23Å; L29-I33 HydrophobicContact CD1-CD1 4.05Å; L29-I33 HydrophobicContact CD1-CG1 4.39Å; L29-I33 HydrophobicContact CD2-CD1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.36Å; L29-F34 HydrophobicContact CD1-CD2 4.2Å; L29-F34 HydrophobicContact CD1-CE2 3.7Å; L29-F34 HydrophobicContact CD1-CZ 4.11Å; L29-A50 HydrophobicContact CD1-CB 3.83Å; L29-A50 HydrophobicContact CD2-CB 3.88Å; L29-R52 HydrophobicContact CD2-CB 4.07Å; L29-R52 WeakPolarHBondContact O-CD 3.42Å; L29-V61 HydrophobicContact CD2-CB 4.34Å; L29-V61 HydrophobicContact CD2-CG2 4.08Å; L29-V61 HydrophobicContact CG-CG2 4.32Å
30G97.9Very high96Very high31 Ų3151.1 Ų51.132%0.3229%0.293SS..THydrogen-bonded Turntrans83.3-3.7176.200000114.5N26 T27 I28N26-G30 PolarHBondContact O-N 3.27Å; T27-G30 PolarHBondContact O-N 3.01Å; I28-G30 PolarHBondContact O-N 2.9Å
31E97.1Very high95.4Very high132 Ų13255.8 Ų55.862%0.61731%0.309SS*.SBendtrans-150.9167.5178.169.9-174.7134.500112N26 L29 I33N26-E31 CarbonylContact C-O 3.59Å; N26-E31 WeakPolarHBondContact CA-O 3.43Å; N26-E31 WeakPolarHBondContact CB-O 3.45Å; N26-E31 PolarHBondContact O-N 3.23Å; N26-E31 VanDerWaalsContact O-O 3.08Å; L29-E31 VanDerWaalsContact C-N 3.26Å; L29-E31 PolarHBondContact O-N 2.89Å; E31-I33 HydrophobicContact CG-CD1 3.95Å; E31-I33 HydrophobicContact CG-CG1 3.61Å; E31-I33 PolarHBondContact O-N 2.93Å
32E97.6Very high94.9Very high128 Ų12856.3 Ų56.360%0.59832%0.316SS*.  trans-82.891.1-179.1-171.1167.9-175.500110.2
33I97.9Very high94.5Very high77 Ų7757.3 Ų57.340%0.39532%0.321SS..  trans-96.5-45.9179.8-58.7-168.6000111.2N26 L29 E31 A50N26-I33 PolarHBondContact OD1-N 2.89Å; L29-I33 HydrophobicContact CB-CD1 3.98Å; L29-I33 HydrophobicContact CB-CG1 4.46Å; L29-I33 HydrophobicContact CD1-CB 4.23Å; L29-I33 HydrophobicContact CD1-CD1 4.05Å; L29-I33 HydrophobicContact CD1-CG1 4.39Å; L29-I33 HydrophobicContact CD2-CD1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.36Å; E31-I33 HydrophobicContact CG-CD1 3.95Å; E31-I33 HydrophobicContact CG-CG1 3.61Å; E31-I33 PolarHBondContact O-N 2.93Å; I33-A50 HydrophobicContact CD1-CB 4.28Å; I33-A50 HydrophobicContact CG2-CB 4.15Å
34F97.6Very high94.1Very high10 Ų1056.8 Ų56.84%0.04432%0.316CS..SBendtrans-98.3149.2-179.3-54-39.7000111.3A25 N26 L29 S36 Q48 A50 D63A25-F34 HydrophobicContact CB-CD2 3.56Å; A25-F34 HydrophobicContact CB-CE2 3.76Å; N26-F34 PolarHBondContact ND2-O 2.89Å; N26-F34 PolarHBondContact OD1-N 3.42Å; L29-F34 HydrophobicContact CD1-CD2 4.2Å; L29-F34 HydrophobicContact CD1-CE2 3.7Å; L29-F34 HydrophobicContact CD1-CZ 4.11Å; F34-S36 PolarHBondContact O-N 3.37Å; F34-Q48 HydrophobicContact CD1-CB 3.95Å; F34-Q48 HydrophobicContact CE1-CB 3.68Å; F34-Q48 HydrophobicContact CZ-CB 4.08Å; F34-A50 HydrophobicContact CE1-CB 4Å; F34-A50 HydrophobicContact CE2-CB 4.44Å; F34-A50 HydrophobicContact CZ-CB 3.55Å; F34-D63 HydrophobicContact CD2-CB 3.85Å; F34-D63 HydrophobicContact CE2-CB 3.85Å
35D96.5Very high93.7Very high72 Ų7263.1 Ų63.139%0.38534%0.343SS..  trans-70.4104.2179.9-177.57.3000111.2R37 V43D35-R37 IonicContact OD1-CZ 2.85Å; D35-R37 IonicContact OD1-NH1 2.56Å; D35-R37 PolarHBondContact OD1-NH1 3.46Å; D35-R37 IonicContact OD2-CZ 3.69Å; D35-R37 IonicContact OD2-NH1 2.72Å; D35-R37 PolarHBondContact OD2-NH1 3.35Å; D35-R37 IonicContact OD2-NH2 3.17Å; D35-V43 HydrophobicContact CB-CG1 3.99Å; D35-V43 WeakPolarHBondContact O-CG1 3.25Å; D35-V43 VanDerWaalsContact OD2-CG1 3.24Å; D35-V43 WeakPolarHBondContact OD2-CG1 3.4Å
36S95.3Very high93.4Very high42 Ų4267 Ų6729%0.29436%0.364SS..  trans-117.295.2-179.768.60000111.6N26 F34N26-S36 PolarHBondContact ND2-OG 2.83Å; F34-S36 PolarHBondContact O-N 3.37Å
37R92.7Very high93.2Very high151 Ų15167.3 Ų67.357%0.5737%0.367SS*.  trans-136.2159.2176.267.1171.4-179.8-84.5-7.2112.9D35 V43D35-R37 IonicContact OD1-CZ 2.85Å; D35-R37 IonicContact OD1-NH1 2.56Å; D35-R37 PolarHBondContact OD1-NH1 3.46Å; D35-R37 IonicContact OD2-CZ 3.69Å; D35-R37 IonicContact OD2-NH1 2.72Å; D35-R37 PolarHBondContact OD2-NH1 3.35Å; D35-R37 IonicContact OD2-NH2 3.17Å; R37-V43 HydrophobicContact CG-CG1 4.28Å; R37-V43 HydrophobicContact CG-CG2 3.78Å
38I87.9Confident93.2Very high167 Ų16770 Ų7086%0.85638%0.379SS*.  trans-70.6129.2168.7-62.9175000108.4
39A88.5Confident93.1Very high49 Ų4973.4 Ų73.441%0.40539%0.394SS..  trans-150.3152.2174.300000110.2Q41 V43A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.48Å; A39-Q41 PolarHBondContact O-N 2.96Å; A39-V43 HydrophobicContact CB-CG2 3.67Å
40A84.2Confident93.1Very high114 Ų11473.9 Ų73.994%0.94240%0.399SS*.SBendtrans-76.51.8171.500000113
41Q84.5Confident93Very high121 Ų12175.3 Ų75.357%0.56540%0.404SS*.SBendtrans-135.5158.3177.1-62.2-172.6-1.600109.2A39 V43A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.48Å; A39-Q41 PolarHBondContact O-N 2.96Å; Q41-V43 PolarHBondContact O-N 3.48Å; Q41-V43 VanDerWaalsContact O-N 3.17Å
42A86.4Confident93.1Very high24 Ų2471.3 Ų71.320%0.19838%0.383CS..  trans-56.5120.9172.300000111T17T17-A42 HydrophobicContact CG2-CB 4.04Å
43V89.2Confident93.1Very high34 Ų3472.7 Ų72.721%0.20639%0.389CS..SBendtrans-75.1-55.1172.9-179.70000108.8D35 R37 A39 Q41 K45D35-V43 HydrophobicContact CB-CG1 3.99Å; D35-V43 WeakPolarHBondContact O-CG1 3.25Å; D35-V43 VanDerWaalsContact OD2-CG1 3.24Å; D35-V43 WeakPolarHBondContact OD2-CG1 3.4Å; R37-V43 HydrophobicContact CG-CG1 4.28Å; R37-V43 HydrophobicContact CG-CG2 3.78Å; A39-V43 HydrophobicContact CB-CG2 3.67Å; Q41-V43 PolarHBondContact O-N 3.48Å; Q41-V43 VanDerWaalsContact O-N 3.17Å; V43-K45 PolarHBondContact O-N 2.99Å
44T90.1Very high93Very high12 Ų1269.7 Ų69.77%0.07437%0.373CS..  trans-78.9111.3172.6-520000109.8S22 N46 P65S22-T44 PolarHBondContact OG-OG1 3.25Å; T44-N46 VanDerWaalsContact CG2-O 3.27Å; T44-N46 WeakPolarHBondContact CG2-O 3.42Å; T44-P65 WeakPolarHBondContact O-CB 3.13Å
45K90.8Very high92.9Very high132 Ų13275.9 Ų75.957%0.57440%0.402SS*.  trans-106-15.7177.3-65.2-176.8-178.3177.10114.1V43 E80V43-K45 PolarHBondContact O-N 2.99Å; K45-E80 VanDerWaalsContact O-OE1 3.09Å
46N92.3Very high92.8Very high82 Ų8274.2 Ų74.244%0.43940%0.402SS..SBendtrans-133.4150.3177.8-59.7-80.4000108.4T44 Q48 E80 R83T44-N46 VanDerWaalsContact CG2-O 3.27Å; T44-N46 WeakPolarHBondContact CG2-O 3.42Å; N46-Q48 WeakPolarHBondContact O-CG 3.37Å; N46-E80 WeakPolarHBondContact CA-OE2 3.32Å; N46-R83 PolarHBondContact OD1-NH1 3.07Å; N46-R83 VanDerWaalsContact OD1-NH1 3.14Å
47C95.3Very high92.8Very high19 Ų1976.2 Ų76.213%0.12840%0.403CS..  trans-56.2140.7169.7-64.80000111.7D63 E80 R83C47-D63 VanDerWaalsContact CA-O 3.3Å; C47-D63 WeakPolarHBondContact CA-O 3.33Å; C47-E80 PolarHBondContact N-OE2 3.48Å; C47-E80 PolarHBondContact SG-O 2.95Å; C47-E80 PolarHBondContact SG-OE2 3.48Å; C47-R83 HydrophobicContact CB-CB 3.97Å
48Q97Very high93Very high64 Ų6471.7 Ų71.730%0.29939%0.391SS..EExtended strand (participates in β ladder)trans-131.9147.6179.4-51.1179.616.800108.3F34 N46 V62 D63F34-Q48 HydrophobicContact CD1-CB 3.95Å; F34-Q48 HydrophobicContact CE1-CB 3.68Å; F34-Q48 HydrophobicContact CZ-CB 4.08Å; N46-Q48 WeakPolarHBondContact O-CG 3.37Å; Q48-V62 CarbonylContact O-C 3.54Å; Q48-V62 WeakPolarHBondContact O-CA 3.43Å; Q48-D63 PolarHBondContact N-O 3.41Å; Q48-D63 PolarHBondContact O-N 3.31Å
49K97.4Very high93.5Very high74 Ų7463.8 Ų63.832%0.32235%0.35SS..EExtended strand (participates in β ladder)trans-136.8146.817674.9-176.6-172.5-175.60111.5V61 V62 E269K49-V61 VanDerWaalsContact CA-O 3.23Å; K49-V61 WeakPolarHBondContact CA-O 3.28Å; K49-V62 HydrophobicContact CB-CG2 4.21Å; K49-E269 IonicContact NZ-OE1 3.78Å; K49-E269 PolarHBondContact NZ-OE1 3.03Å; K49-E269 IonicContact NZ-OE2 2.98Å; K49-E269 PolarHBondContact NZ-OE2 2.97Å
50A97.9Very high94Very high17 Ų1762.8 Ų62.814%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-150.3161175.800000109.5L29 I33 F34 V61L29-A50 HydrophobicContact CD1-CB 3.83Å; L29-A50 HydrophobicContact CD2-CB 3.88Å; I33-A50 HydrophobicContact CD1-CB 4.28Å; I33-A50 HydrophobicContact CG2-CB 4.15Å; F34-A50 HydrophobicContact CE1-CB 4Å; F34-A50 HydrophobicContact CE2-CB 4.44Å; F34-A50 HydrophobicContact CZ-CB 3.55Å; A50-V61 PolarHBondContact N-O 2.94Å; A50-V61 VanDerWaalsContact N-O 3.09Å; A50-V61 PolarHBondContact O-N 2.95Å
51S97.6Very high94.7Very high61 Ų6157.4 Ų57.443%0.42729%0.293SS..EExtended strand (participates in β ladder)trans-121.9150.5-179.4-79.70000111.4D58 L59S51-D58 WeakPolarHBondContact CB-OD1 3.41Å; S51-D58 PolarHBondContact OG-OD2 2.86Å; S51-L59 CarbonylContact C-O 3.58Å; S51-L59 VanDerWaalsContact CA-O 3.23Å; S51-L59 WeakPolarHBondContact CA-O 3.44Å
52R98Very high95.4Very high47 Ų4751.6 Ų51.618%0.17727%0.266CS..EExtended strand (participates in β ladder)trans-140.1128.7172.3179-159.2176.4172.42.8109.8I28 L29 W54 L59 E179I28-R52 WeakPolarHBondContact O-CD 3.28Å; I28-R52 PolarHBondContact O-NH1 3.25Å; L29-R52 HydrophobicContact CD2-CB 4.07Å; L29-R52 WeakPolarHBondContact O-CD 3.42Å; R52-W54 PolarHBondContact O-N 3.14Å; R52-L59 PolarHBondContact N-O 3.3Å; R52-L59 WeakPolarHBondContact O-CB 3.28Å; R52-L59 PolarHBondContact O-N 3.26Å; R52-E179 IonicContact CZ-OE1 3.53Å; R52-E179 IonicContact CZ-OE2 3.77Å; R52-E179 IonicContact NH1-OE1 3.5Å; R52-E179 PolarHBondContact NH1-OE1 2.96Å; R52-E179 VanDerWaalsContact NH1-OE1 3.08Å; R52-E179 IonicContact NH1-OE2 2.79Å; R52-E179 PolarHBondContact NH1-OE2 3.12Å; R52-E179 IonicContact NH2-OE1 2.7Å; R52-E179 PolarHBondContact NH2-OE1 3.16Å; R52-E179 IonicContact NH2-OE2 3.86Å; R52-E179 PolarHBondContact NH2-OE2 2.95Å
53E97.8Very high95.9Very high158 Ų15850.5 Ų50.574%0.73826%0.257SS*.EExtended strand (participates in β ladder)trans-69.8127.3167.6-169.4179.4178.400110.6R57E53-R57 CarbonylContact C-O 3.56Å; E53-R57 WeakPolarHBondContact CA-O 3.44Å
54W97Very high96.2Very high13 Ų1349 Ų495%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-142.5110.5-176.2-170.185.7000110.6R52 G56 R57 L59 Q183 V186R52-W54 PolarHBondContact O-N 3.14Å; W54-G56 PolarHBondContact O-N 2.93Å; W54-G56 VanDerWaalsContact O-N 3.1Å; W54-R57 PolarHBondContact N-O 3.02Å; W54-R57 WeakPolarHBondContact O-CB 3.38Å; W54-R57 PolarHBondContact O-N 3.39Å; W54-L59 HydrophobicContact CB-CD1 3.52Å; W54-L59 HydrophobicContact CB-CD2 4.25Å; W54-L59 HydrophobicContact CB-CG 3.59Å; W54-L59 HydrophobicContact CD2-CD1 4.21Å; W54-L59 HydrophobicContact CG-CD1 3.7Å; W54-L59 HydrophobicContact CG-CG 4.26Å; W54-Q183 VanDerWaalsContact CH2-CD 3.45Å; W54-Q183 HydrophobicContact CH2-CG 4.45Å; W54-Q183 HydrophobicContact CZ2-CB 4Å; W54-Q183 HydrophobicContact CZ2-CG 4.34Å; W54-V186 HydrophobicContact CD2-CG2 4.38Å; W54-V186 HydrophobicContact CE3-CB 4.31Å; W54-V186 HydrophobicContact CE3-CG1 3.81Å; W54-V186 HydrophobicContact CE3-CG2 4.21Å; W54-V186 HydrophobicContact CH2-CB 3.64Å; W54-V186 HydrophobicContact CH2-CG1 3.69Å; W54-V186 HydrophobicContact CH2-CG2 4.13Å; W54-V186 HydrophobicContact CZ2-CB 4.23Å; W54-V186 HydrophobicContact CZ2-CG2 4.29Å; W54-V186 HydrophobicContact CZ3-CB 3.72Å; W54-V186 HydrophobicContact CZ3-CG1 3.23Å; W54-V186 HydrophobicContact CZ3-CG2 4.11Å
55Q95.3Very high96.3Very high140 Ų14048.5 Ų48.565%0.65425%0.245SC*.THydrogen-bonded Turntrans48.241.5176.8-58.2-176.42.400113.8
56G94.2Very high96.2Very high38 Ų3842.4 Ų42.439%0.39222%0.219SC..THydrogen-bonded Turntrans83.24.6-179.900000115.6R7 W54R7-G56 VanDerWaalsContact CD-O 3.31Å; R7-G56 WeakPolarHBondContact CD-O 3.44Å; W54-G56 PolarHBondContact O-N 2.93Å; W54-G56 VanDerWaalsContact O-N 3.1Å
57R95.1Very high95.4Very high84 Ų8439.1 Ų39.132%0.31720%0.201SC..EExtended strand (participates in β ladder)trans-107.5155.8169.9-63.6-173.3-179.9-1389.9111.2R7 E53 W54 L59 E190R7-R57 WeakPolarHBondContact O-CA 2.91Å; R7-R57 WeakPolarHBondContact O-CB 3.35Å; E53-R57 CarbonylContact C-O 3.56Å; E53-R57 WeakPolarHBondContact CA-O 3.44Å; W54-R57 PolarHBondContact N-O 3.02Å; W54-R57 WeakPolarHBondContact O-CB 3.38Å; W54-R57 PolarHBondContact O-N 3.39Å; R57-L59 HydrophobicContact CB-CD2 4.49Å; R57-E190 WeakPolarHBondContact CD-OE1 3.43Å; R57-E190 IonicContact CZ-OE1 3.79Å; R57-E190 IonicContact CZ-OE2 3.86Å; R57-E190 IonicContact NE-OE1 3.34Å; R57-E190 PolarHBondContact NE-OE1 3.01Å; R57-E190 IonicContact NH1-OE1 3.87Å; R57-E190 PolarHBondContact NH1-OE1 3.31Å; R57-E190 IonicContact NH2-OE1 2.74Å; R57-E190 PolarHBondContact NH2-OE1 2.77Å; R57-E190 IonicContact NH2-OE2 3.08Å; R57-E190 PolarHBondContact NH2-OE2 2.57Å; R57-E190 VanDerWaalsContact NH2-OE2 3.12Å
58D97.4Very high94.1Very high56 Ų5639.1 Ų39.130%0.29920%0.199SC..EExtended strand (participates in β ladder)trans-100.8109.4168.2-174.744.6000109.9R7 S8 L9 S51 L60R7-D58 PolarHBondContact O-N 3.41Å; R7-D58 VanDerWaalsContact O-N 3.15Å; S8-D58 CarbonylContact C-O 3.53Å; S8-D58 VanDerWaalsContact CA-O 3.31Å; S8-D58 WeakPolarHBondContact CA-O 3.36Å; L9-D58 PolarHBondContact N-O 2.99Å; S51-D58 WeakPolarHBondContact CB-OD1 3.41Å; S51-D58 PolarHBondContact OG-OD2 2.86Å; D58-L60 PolarHBondContact O-N 3.28Å
59L98.5Very high92.6Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-83104.1177.1-54.2-172.6000109.2L9 I28 S51 R52 W54 R57 V182 V186L9-L59 HydrophobicContact CB-CD2 3.81Å; L9-L59 HydrophobicContact CD2-CD2 3.85Å; L9-L59 HydrophobicContact CG-CD2 4.41Å; I28-L59 HydrophobicContact CG2-CD1 4.16Å; S51-L59 CarbonylContact C-O 3.58Å; S51-L59 VanDerWaalsContact CA-O 3.23Å; S51-L59 WeakPolarHBondContact CA-O 3.44Å; R52-L59 PolarHBondContact N-O 3.3Å; R52-L59 WeakPolarHBondContact O-CB 3.28Å; R52-L59 PolarHBondContact O-N 3.26Å; W54-L59 HydrophobicContact CB-CD1 3.52Å; W54-L59 HydrophobicContact CB-CD2 4.25Å; W54-L59 HydrophobicContact CB-CG 3.59Å; W54-L59 HydrophobicContact CD2-CD1 4.21Å; W54-L59 HydrophobicContact CG-CD1 3.7Å; W54-L59 HydrophobicContact CG-CG 4.26Å; R57-L59 HydrophobicContact CB-CD2 4.49Å; L59-V182 HydrophobicContact CD1-CG1 4.48Å; L59-V186 HydrophobicContact CD1-CG2 4.09Å; L59-V186 HydrophobicContact CD2-CG2 4.26Å
60L98.3Very high90.7Very high29 Ų2940.6 Ų40.615%0.15222%0.217CC..EExtended strand (participates in β ladder)trans-91.7114.9172.4-174.1155.3000109.1L9 R10 I11 D58 V62L9-L60 PolarHBondContact O-N 2.66Å; R10-L60 WeakPolarHBondContact CA-O 3.3Å; R10-L60 HydrophobicContact CG-CB 4.17Å; R10-L60 HydrophobicContact CG-CD2 4.29Å; I11-L60 PolarHBondContact N-O 3.28Å; D58-L60 PolarHBondContact O-N 3.28Å; L60-V62 HydrophobicContact CD2-CG2 3.61Å
61V98.7Very high89.2Confident0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-108.8122.4-178.2-174.40000109.7I11 L13 A25 I28 L29 K49 A50I11-V61 WeakPolarHBondContact O-CA 3.47Å; L13-V61 HydrophobicContact CD1-CG1 4.09Å; L13-V61 HydrophobicContact CG-CG1 4.2Å; A25-V61 HydrophobicContact CB-CG1 3.84Å; I28-V61 HydrophobicContact CB-CG2 4.3Å; I28-V61 HydrophobicContact CG2-CG2 3.6Å; L29-V61 HydrophobicContact CD2-CB 4.34Å; L29-V61 HydrophobicContact CD2-CG2 4.08Å; L29-V61 HydrophobicContact CG-CG2 4.32Å; K49-V61 VanDerWaalsContact CA-O 3.23Å; K49-V61 WeakPolarHBondContact CA-O 3.28Å; A50-V61 PolarHBondContact N-O 2.94Å; A50-V61 VanDerWaalsContact N-O 3.09Å; A50-V61 PolarHBondContact O-N 2.95Å
62V98.5Very high87.8Confident0 Ų047.2 Ų47.20%024%0.236CC..EExtended strand (participates in β ladder)trans-103.1111.2172.2-1740000108.9I11 V12 L13 Q48 K49 L60 T64I11-V62 PolarHBondContact O-N 3.01Å; V12-V62 HydrophobicContact CG1-CB 4.49Å; V12-V62 HydrophobicContact CG2-CB 4.09Å; V12-V62 HydrophobicContact CG2-CG2 4.23Å; L13-V62 PolarHBondContact N-O 2.84Å; Q48-V62 CarbonylContact O-C 3.54Å; Q48-V62 WeakPolarHBondContact O-CA 3.43Å; K49-V62 HydrophobicContact CB-CG2 4.21Å; L60-V62 HydrophobicContact CD2-CG2 3.61Å; V62-T64 HydrophobicContact CG1-CG2 4.48Å
63D98.1Very high87.2Confident0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-86.6138.7169.3-174.531.4000110.1K21 S22 A25 F34 C47 Q48K21-D63 VanDerWaalsContact CB-OD1 3.27Å; K21-D63 WeakPolarHBondContact CB-OD1 3.45Å; S22-D63 WeakPolarHBondContact CA-OD2 3.26Å; S22-D63 VanDerWaalsContact CB-OD2 3.26Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact OG-OD2 3.42Å; A25-D63 HydrophobicContact CB-CB 4.43Å; F34-D63 HydrophobicContact CD2-CB 3.85Å; F34-D63 HydrophobicContact CE2-CB 3.85Å; C47-D63 VanDerWaalsContact CA-O 3.3Å; C47-D63 WeakPolarHBondContact CA-O 3.33Å; Q48-D63 PolarHBondContact N-O 3.41Å; Q48-D63 PolarHBondContact O-N 3.31Å
64T95.1Very high86.8Confident2 Ų241.1 Ų41.11%0.01222%0.215CC..  trans-119.2153.9-176.1660000111.1V12 L13 V14 K21 V62 C84V12-T64 HydrophobicContact CG1-CG2 4.11Å; L13-T64 WeakPolarHBondContact O-CB 3.25Å; L13-T64 VanDerWaalsContact O-CG2 3.24Å; L13-T64 WeakPolarHBondContact O-CG2 3.5Å; L13-T64 PolarHBondContact O-OG1 2.78Å; V14-T64 HydrophobicContact CG1-CG2 4.49Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; V62-T64 HydrophobicContact CG1-CG2 4.48Å; T64-C84 HydrophobicContact CG2-CB 4.38Å
65P92.9Very high86.6Confident3 Ų343 Ų432%0.01923%0.227CC..  trans-66.2169.5165.526.6-30000111.2T44 L67 E80T44-P65 WeakPolarHBondContact O-CB 3.13Å; P65-L67 PolarHBondContact O-N 3.47Å; P65-E80 HydrophobicContact CG-CB 3.71Å; P65-E80 HydrophobicContact CG-CG 3.36Å
66G87.5Confident86.4Confident3 Ų338.7 Ų38.73%0.03121%0.209CC..  trans-65.9114.6172.300000111.1F68G66-F68 VanDerWaalsContact C-N 3.27Å; G66-F68 PolarHBondContact O-N 3.34Å
67L77Confident86.2Confident14 Ų1437 Ų377%0.07319%0.191CC..SBendtrans-65.7-28.3-174.9-66.9-177000113.9P65 I81 T111 L114P65-L67 PolarHBondContact O-N 3.47Å; L67-I81 HydrophobicContact CD2-CG1 4.43Å; L67-T111 HydrophobicContact CD1-CG2 3.97Å; L67-L114 HydrophobicContact CB-CD2 4.48Å; L67-L114 HydrophobicContact CD1-CD2 4.17Å
68F67Low86.2Confident18 Ų1833 Ų338%0.07918%0.176CC..SBendtrans-135.295179.9-67.9-76.5000109.7G66 K110 L114 W288 F291G66-F68 VanDerWaalsContact C-N 3.27Å; G66-F68 PolarHBondContact O-N 3.34Å; F68-K110 HydrophobicContact CB-CB 4.47Å; F68-K110 HydrophobicContact CD1-CB 4.15Å; F68-K110 HydrophobicContact CD1-CD 4.47Å; F68-K110 HydrophobicContact CD2-CB 3.78Å; F68-K110 HydrophobicContact CE1-CB 4.35Å; F68-K110 HydrophobicContact CE2-CB 3.99Å; F68-K110 VanDerWaalsContact CE2-O 3.22Å; F68-K110 WeakPolarHBondContact CE2-O 3.24Å; F68-K110 HydrophobicContact CG-CB 3.85Å; F68-K110 HydrophobicContact CZ-CB 4.26Å; F68-L114 HydrophobicContact CE2-CB 3.55Å; F68-L114 HydrophobicContact CE2-CD2 3.39Å; F68-L114 HydrophobicContact CE2-CG 4.03Å; F68-L114 HydrophobicContact CZ-CB 3.6Å; F68-L114 HydrophobicContact CZ-CD1 4.08Å; F68-L114 HydrophobicContact CZ-CD2 3.46Å; F68-L114 VanDerWaalsContact CZ-CD2 3.46Å; F68-L114 HydrophobicContact CZ-CG 3.89Å; F68-W288 HydrophobicContact CE1-CH2 4.07Å; F68-W288 HydrophobicContact CE1-CZ3 4.21Å; F68-F291 HydrophobicContact CE1-CB 3.84Å; F68-F291 HydrophobicContact CE1-CD1 4.2Å; F68-F291 HydrophobicContact CE1-CG 4.12Å; F68-F291 HydrophobicContact CZ-CB 4.4Å; F68-F291 AromaticContact CZ-CD1 3.93Å; F68-F291 HydrophobicContact CZ-CD1 3.93Å; F68-F291 HydrophobicContact CZ-CE1 4.47Å; F68-F291 HydrophobicContact CZ-CG 4.18Å
69D66.3Low86.1Confident59 Ų5933.5 Ų33.532%0.31618%0.176SC..  trans-121162.6167.9-159.1-24.9000108.7T17 K71 E72T17-D69 WeakPolarHBondContact CB-OD2 3.27Å; T17-D69 PolarHBondContact OG1-OD2 3.28Å; D69-K71 PolarHBondContact O-N 3.35Å; D69-E72 HydrophobicContact CB-CG 4.03Å; D69-E72 PolarHBondContact O-N 3.4Å
70T57Low85.9Confident111 Ų11134 Ų3468%0.68118%0.179SC*.THydrogen-bonded Turntrans-49.4-21-179.451.30000115.1
71K65.5Low85.7Confident164 Ų16433.2 Ų33.271%0.71317%0.174SC*.THydrogen-bonded Turntrans-109.4-3.2-178.3-62.9-176.9-179.3-179.60114.7D69 S73D69-K71 PolarHBondContact O-N 3.35Å; K71-S73 PolarHBondContact O-N 2.87Å
72E69.2Low85.6Confident53 Ų5333.2 Ų33.225%0.24817%0.174CC..  trans-69.8127.1-176.8-70.7-62.7152.800111.1D69 T76D69-E72 HydrophobicContact CB-CG 4.03Å; D69-E72 PolarHBondContact O-N 3.4Å; E72-T76 WeakPolarHBondContact OE2-CB 3.41Å; E72-T76 PolarHBondContact OE2-OG1 3.48Å
73S84.5Confident85.5Confident49 Ų4936.5 Ų36.534%0.34319%0.187SC..  trans-102158.9178.168.50000109.8K71 D75 T76 T77K71-S73 PolarHBondContact O-N 2.87Å; S73-D75 PolarHBondContact O-N 3.03Å; S73-D75 VanDerWaalsContact O-N 3.17Å; S73-T76 PolarHBondContact N-OG1 3.49Å; S73-T76 PolarHBondContact O-N 3.47Å; S73-T76 PolarHBondContact O-OG1 3.2Å; S73-T76 WeakPolarHBondContact OG-CG2 3.44Å; S73-T76 PolarHBondContact OG-N 2.92Å; S73-T76 PolarHBondContact OG-OG1 3.31Å; S73-T77 WeakPolarHBondContact O-CB 3.25Å; S73-T77 PolarHBondContact O-N 3.45Å; S73-T77 PolarHBondContact O-OG1 2.99Å
74L90.2Very high85.4Confident28 Ų2837.2 Ų37.215%0.14719%0.191CC..Hα-helixtrans-52.7-39.2172.5175.561000111.7C78 W281 L284 W288L74-C78 VanDerWaalsContact CD1-SG 3.58Å; L74-C78 WeakPolarHBondContact O-CB 3.41Å; L74-C78 PolarHBondContact O-N 3.14Å; L74-C78 PolarHBondContact O-SG 3.15Å; L74-W281 HydrophobicContact CD2-CH2 4.11Å; L74-W281 HydrophobicContact CD2-CZ2 4.06Å; L74-W281 HydrophobicContact CD2-CZ3 4.42Å; L74-W281 HydrophobicContact CG-CE3 4.33Å; L74-W281 HydrophobicContact CG-CH2 4.22Å; L74-W281 HydrophobicContact CG-CZ3 4.1Å; L74-L284 HydrophobicContact CD1-CB 3.58Å; L74-W288 HydrophobicContact CB-CD2 3.99Å; L74-W288 HydrophobicContact CB-CG 4.12Å; L74-W288 HydrophobicContact CB-CZ2 4.42Å; L74-W288 HydrophobicContact CD1-CB 4.15Å; L74-W288 HydrophobicContact CD1-CD2 3.7Å; L74-W288 HydrophobicContact CD1-CE3 3.64Å; L74-W288 HydrophobicContact CD1-CG 3.93Å; L74-W288 HydrophobicContact CD1-CZ3 4.32Å; L74-W288 HydrophobicContact CD2-CB 4.45Å; L74-W288 HydrophobicContact CD2-CG 4.43Å; L74-W288 HydrophobicContact CG-CD2 4.38Å; L74-W288 HydrophobicContact CG-CG 4.38Å
75D92.1Very high85.5Confident53 Ų5337.1 Ų37.128%0.28319%0.191SC..Hα-helixtrans-64.2-50.9178.417870.5000113.4S73 T77 C78 K79 F277 W281S73-D75 PolarHBondContact O-N 3.03Å; S73-D75 VanDerWaalsContact O-N 3.17Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.49Å; D75-C78 PolarHBondContact O-N 2.65Å; D75-K79 VanDerWaalsContact O-CG 3.31Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 3.08Å; D75-K79 VanDerWaalsContact OD1-CE 3.26Å; D75-K79 WeakPolarHBondContact OD1-CE 3.44Å; D75-K79 IonicContact OD1-NZ 2.86Å; D75-K79 PolarHBondContact OD1-NZ 3.29Å; D75-K79 WeakPolarHBondContact OD2-CE 3.39Å; D75-K79 IonicContact OD2-NZ 3.68Å; D75-K79 PolarHBondContact OD2-NZ 3.44Å; D75-F277 WeakPolarHBondContact OD1-CZ 3.07Å; D75-W281 HydrophobicContact CB-CH2 4.36Å; D75-W281 HydrophobicContact CB-CZ3 3.78Å
76T90.9Very high85.8Confident48 Ų4837.2 Ų37.229%0.29419%0.191SC..Hα-helixtrans-61.8-4617753.70000110.4E72 S73 C78 K79 E80E72-T76 WeakPolarHBondContact OE2-CB 3.41Å; E72-T76 PolarHBondContact OE2-OG1 3.48Å; S73-T76 PolarHBondContact N-OG1 3.49Å; S73-T76 PolarHBondContact O-N 3.47Å; S73-T76 PolarHBondContact O-OG1 3.2Å; S73-T76 WeakPolarHBondContact OG-CG2 3.44Å; S73-T76 PolarHBondContact OG-N 2.92Å; S73-T76 PolarHBondContact OG-OG1 3.31Å; T76-C78 PolarHBondContact O-N 2.93Å; T76-K79 PolarHBondContact O-N 3.22Å; T76-E80 WeakPolarHBondContact O-CG 3.33Å; T76-E80 PolarHBondContact O-N 3.5Å
77T91.1Very high86.2Confident2 Ų238 Ų381%0.01220%0.196CC..Hα-helixtrans-60.2-44.1177.8-560000112.5S73 D75 E80 I81 L114 L284 W288S73-T77 WeakPolarHBondContact O-CB 3.25Å; S73-T77 PolarHBondContact O-N 3.45Å; S73-T77 PolarHBondContact O-OG1 2.99Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.49Å; T77-E80 PolarHBondContact O-N 2.98Å; T77-I81 HydrophobicContact CG2-CD1 3.6Å; T77-I81 HydrophobicContact CG2-CG1 4.41Å; T77-I81 WeakPolarHBondContact O-CB 3.36Å; T77-I81 WeakPolarHBondContact O-CD1 3.43Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.89Å; T77-L114 HydrophobicContact CG2-CD2 4.14Å; T77-L284 HydrophobicContact CG2-CD1 4.32Å; T77-W288 HydrophobicContact CG2-CH2 3.87Å; T77-W288 HydrophobicContact CG2-CZ3 3.73Å; T77-W288 VanDerWaalsContact OG1-CH2 3.27Å; T77-W288 WeakPolarHBondContact OG1-CH2 3.44Å
78C94.1Very high87.2Confident0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-61.9-45.6175.9-70.80000111.6L74 D75 T76 E80 I81 S82 F277 I280 W281L74-C78 VanDerWaalsContact CD1-SG 3.58Å; L74-C78 WeakPolarHBondContact O-CB 3.41Å; L74-C78 PolarHBondContact O-N 3.14Å; L74-C78 PolarHBondContact O-SG 3.15Å; D75-C78 PolarHBondContact O-N 2.65Å; T76-C78 PolarHBondContact O-N 2.93Å; C78-E80 PolarHBondContact O-N 3.29Å; C78-I81 PolarHBondContact O-N 3.49Å; C78-S82 WeakPolarHBondContact O-CB 3.39Å; C78-S82 PolarHBondContact O-N 3.33Å; C78-S82 PolarHBondContact O-OG 2.9Å; C78-F277 HydrophobicContact CB-CD2 3.92Å; C78-F277 HydrophobicContact CB-CE2 3.54Å; C78-F277 HydrophobicContact CB-CZ 4.4Å; C78-I280 HydrophobicContact CB-CG2 4.18Å; C78-W281 HydrophobicContact CB-CE3 4.15Å
79K94.8Very high88.6Confident67 Ų6737 Ų3729%0.29119%0.193SC..Hα-helixtrans-58.3-48.4178.7-72.9174.2178.3159.80111.6D75 T76 S82 R83 F273 F277D75-K79 VanDerWaalsContact O-CG 3.31Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 3.08Å; D75-K79 VanDerWaalsContact OD1-CE 3.26Å; D75-K79 WeakPolarHBondContact OD1-CE 3.44Å; D75-K79 IonicContact OD1-NZ 2.86Å; D75-K79 PolarHBondContact OD1-NZ 3.29Å; D75-K79 WeakPolarHBondContact OD2-CE 3.39Å; D75-K79 IonicContact OD2-NZ 3.68Å; D75-K79 PolarHBondContact OD2-NZ 3.44Å; T76-K79 PolarHBondContact O-N 3.22Å; K79-S82 PolarHBondContact O-N 3.02Å; K79-R83 WeakPolarHBondContact O-CG 3.45Å; K79-R83 PolarHBondContact O-N 3.32Å; K79-F273 HydrophobicContact CB-CZ 4.03Å; K79-F273 HydrophobicContact CG-CZ 3.94Å; K79-F277 HydrophobicContact CG-CD2 3.75Å; K79-F277 HydrophobicContact CG-CE2 3.56Å
80E94.6Very high90.1Very high12 Ų1235.5 Ų35.56%0.05619%0.186CC..Hα-helixtrans-70.5-38.2-176.2-59.4-54.5148.800112.3K45 N46 C47 P65 T76 T77 C78 S82 R83 C84K45-E80 VanDerWaalsContact O-OE1 3.09Å; N46-E80 WeakPolarHBondContact CA-OE2 3.32Å; C47-E80 PolarHBondContact N-OE2 3.48Å; C47-E80 PolarHBondContact SG-O 2.95Å; C47-E80 PolarHBondContact SG-OE2 3.48Å; P65-E80 HydrophobicContact CG-CB 3.71Å; P65-E80 HydrophobicContact CG-CG 3.36Å; T76-E80 WeakPolarHBondContact O-CG 3.33Å; T76-E80 PolarHBondContact O-N 3.5Å; T77-E80 PolarHBondContact O-N 2.98Å; C78-E80 PolarHBondContact O-N 3.29Å; E80-S82 VanDerWaalsContact C-N 3.34Å; E80-S82 PolarHBondContact O-N 3.45Å; E80-R83 PolarHBondContact O-N 3.19Å; E80-R83 IonicContact OE1-CZ 2.95Å; E80-R83 IonicContact OE1-NH1 3.57Å; E80-R83 PolarHBondContact OE1-NH1 2.86Å; E80-R83 IonicContact OE2-NH1 2.77Å; E80-R83 PolarHBondContact OE2-NH1 3.23Å; E80-R83 VanDerWaalsContact OE2-NH1 3.17Å; E80-C84 VanDerWaalsContact O-CB 3.23Å; E80-C84 WeakPolarHBondContact O-CB 3.49Å; E80-C84 PolarHBondContact O-N 3.26Å
81I94.3Very high92Very high11 Ų1130.2 Ų30.26%0.05615%0.153CC..Hα-helixtrans-61.9-44.9172.9-68.4163.6000110.4L67 T77 C78 R83 C84 I85 L114 I280 L284L67-I81 HydrophobicContact CD2-CG1 4.43Å; T77-I81 HydrophobicContact CG2-CD1 3.6Å; T77-I81 HydrophobicContact CG2-CG1 4.41Å; T77-I81 WeakPolarHBondContact O-CB 3.36Å; T77-I81 WeakPolarHBondContact O-CD1 3.43Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.89Å; C78-I81 PolarHBondContact O-N 3.49Å; I81-R83 PolarHBondContact O-N 3.46Å; I81-C84 WeakPolarHBondContact O-CB 3.37Å; I81-C84 PolarHBondContact O-N 3.42Å; I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.37Å; I81-I85 VanDerWaalsContact O-CG1 3.28Å; I81-I85 WeakPolarHBondContact O-CG1 3.33Å; I81-I85 PolarHBondContact O-N 3.29Å; I81-L114 HydrophobicContact CD1-CD1 4.4Å; I81-L114 HydrophobicContact CD1-CD2 3.85Å; I81-L114 HydrophobicContact CD1-CG 4.39Å; I81-I280 HydrophobicContact CB-CG2 4.23Å; I81-I280 HydrophobicContact CG2-CD1 4.22Å; I81-I280 HydrophobicContact CG2-CG1 4.28Å; I81-I280 HydrophobicContact CG2-CG2 3.97Å; I81-L284 HydrophobicContact CD1-CD1 3.52Å
82S96.5Very high93.6Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-61.2-44.5177.7-61.50000112.1C78 K79 E80 C84 I85 I86 V276 F277C78-S82 WeakPolarHBondContact O-CB 3.39Å; C78-S82 PolarHBondContact O-N 3.33Å; C78-S82 PolarHBondContact O-OG 2.9Å; K79-S82 PolarHBondContact O-N 3.02Å; E80-S82 VanDerWaalsContact C-N 3.34Å; E80-S82 PolarHBondContact O-N 3.45Å; S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 3.35Å; S82-I85 PolarHBondContact O-N 3.32Å; S82-I86 WeakPolarHBondContact O-CB 3.5Å; S82-I86 WeakPolarHBondContact O-CD1 3.16Å; S82-I86 WeakPolarHBondContact O-CG1 3.31Å; S82-I86 PolarHBondContact O-N 2.99Å; S82-V276 PolarHBondContact OG-O 3.48Å; S82-F277 VanDerWaalsContact OG-CA 3.25Å; S82-F277 WeakPolarHBondContact OG-CA 3.07Å; S82-F277 PolarHBondContact OG-N 3.47Å
83R96.6Very high95Very high70 Ų7020.7 Ų20.726%0.26411%0.111SC..Hα-helixtrans-63.4-39.9175.5-68-166.1-163.2110-5.8112.2N46 C47 K79 E80 I81 I86 S87 F273N46-R83 PolarHBondContact OD1-NH1 3.07Å; N46-R83 VanDerWaalsContact OD1-NH1 3.14Å; C47-R83 HydrophobicContact CB-CB 3.97Å; K79-R83 WeakPolarHBondContact O-CG 3.45Å; K79-R83 PolarHBondContact O-N 3.32Å; E80-R83 PolarHBondContact O-N 3.19Å; E80-R83 IonicContact OE1-CZ 2.95Å; E80-R83 IonicContact OE1-NH1 3.57Å; E80-R83 PolarHBondContact OE1-NH1 2.86Å; E80-R83 IonicContact OE2-NH1 2.77Å; E80-R83 PolarHBondContact OE2-NH1 3.23Å; E80-R83 VanDerWaalsContact OE2-NH1 3.17Å; I81-R83 PolarHBondContact O-N 3.46Å; R83-I86 PolarHBondContact O-N 2.98Å; R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.4Å; R83-S87 PolarHBondContact O-N 3.35Å; R83-S87 PolarHBondContact O-OG 3.37Å; R83-F273 HydrophobicContact CG-CD2 4.01Å; R83-F273 HydrophobicContact CG-CE2 3.51Å; R83-F273 HydrophobicContact CG-CZ 4.36Å
84C96.7Very high95.7Very high15 Ų1518.3 Ų18.310%0.10110%0.095CC..Hα-helixtrans-62.1-45.7177.3-178.30000111.7V12 T64 E80 I81 S82 S87 S88V12-C84 WeakPolarHBondContact CG1-SG 3.34Å; T64-C84 HydrophobicContact CG2-CB 4.38Å; E80-C84 VanDerWaalsContact O-CB 3.23Å; E80-C84 WeakPolarHBondContact O-CB 3.49Å; E80-C84 PolarHBondContact O-N 3.26Å; I81-C84 WeakPolarHBondContact O-CB 3.37Å; I81-C84 PolarHBondContact O-N 3.42Å; S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 3.35Å; C84-S87 PolarHBondContact O-N 2.98Å; C84-S88 WeakPolarHBondContact O-CB 3.26Å; C84-S88 PolarHBondContact O-N 3.27Å; C84-S88 VanDerWaalsContact O-N 3.11Å; C84-S88 PolarHBondContact O-OG 3.12Å
85I97.3Very high96.1Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-60.6-52.5176.7-68.4164.7000109.7I81 S82 S87 S88 C89 F119 I205 Y206 T209 I280I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.37Å; I81-I85 VanDerWaalsContact O-CG1 3.28Å; I81-I85 WeakPolarHBondContact O-CG1 3.33Å; I81-I85 PolarHBondContact O-N 3.29Å; S82-I85 PolarHBondContact O-N 3.32Å; I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 PolarHBondContact O-N 3.38Å; I85-S88 CarbonylContact O-C 3.55Å; I85-S88 PolarHBondContact O-N 2.96Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.91Å; I85-C89 PolarHBondContact O-N 3.12Å; I85-C89 PolarHBondContact O-SG 2.96Å; I85-C89 VanDerWaalsContact O-SG 3.38Å; I85-F119 HydrophobicContact CD1-CE1 3.84Å; I85-F119 HydrophobicContact CD1-CZ 3.75Å; I85-F119 HydrophobicContact CG1-CE1 3.87Å; I85-F119 HydrophobicContact CG1-CZ 3.65Å; I85-I205 HydrophobicContact CD1-CG2 3.9Å; I85-I205 HydrophobicContact CG2-CG2 4.28Å; I85-Y206 HydrophobicContact CB-CE1 4.32Å; I85-Y206 HydrophobicContact CG2-CD1 4.03Å; I85-Y206 HydrophobicContact CG2-CE1 3.85Å; I85-T209 HydrophobicContact CG2-CG2 4.21Å; I85-I280 HydrophobicContact CD1-CD1 3.64Å; I85-I280 HydrophobicContact CD1-CG1 4.12Å
86I98Very high96.4Very high5 Ų514.9 Ų14.93%0.0268%0.076CC..Hα-helixtrans-57-43.7-179.9-68.9167.4000111.2S82 R83 S88 C89 T209 E269 I272 F273 V276S82-I86 WeakPolarHBondContact O-CB 3.5Å; S82-I86 WeakPolarHBondContact O-CD1 3.16Å; S82-I86 WeakPolarHBondContact O-CG1 3.31Å; S82-I86 PolarHBondContact O-N 2.99Å; R83-I86 PolarHBondContact O-N 2.98Å; I86-S88 VanDerWaalsContact C-N 3.26Å; I86-S88 PolarHBondContact O-N 2.93Å; I86-C89 PolarHBondContact O-N 2.72Å; I86-T209 HydrophobicContact CG1-CG2 4.05Å; I86-E269 HydrophobicContact CG2-CB 3.41Å; I86-E269 VanDerWaalsContact CG2-CB 3.41Å; I86-E269 HydrophobicContact CG2-CG 3.42Å; I86-E269 VanDerWaalsContact CG2-CG 3.42Å; I86-I272 HydrophobicContact CD1-CD1 4.29Å; I86-I272 HydrophobicContact CD1-CG1 4.31Å; I86-I272 HydrophobicContact CG1-CD1 4.04Å; I86-F273 HydrophobicContact CD1-CB 4.32Å; I86-F273 HydrophobicContact CD1-CD2 4.02Å; I86-V276 HydrophobicContact CD1-CB 4.1Å; I86-V276 HydrophobicContact CD1-CG1 4.43Å; I86-V276 HydrophobicContact CD1-CG2 3.96Å; I86-V276 HydrophobicContact CG1-CB 4.41Å; I86-V276 HydrophobicContact CG1-CG1 4.37Å; I86-V276 HydrophobicContact CG1-CG2 4.01Å
87S96.9Very high96.8Very high19 Ų1912.6 Ų12.613%0.1336%0.062CC..Hα-helixtrans-70.9-19.7-178.6-60.20000113.8R83 C84 I85R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.4Å; R83-S87 PolarHBondContact O-N 3.35Å; R83-S87 PolarHBondContact O-OG 3.37Å; C84-S87 PolarHBondContact O-N 2.98Å; I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 PolarHBondContact O-N 3.38Å
88S97.1Very high97.1Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-1090.3-17957.60000113.6C84 I85 I86 G91 Y206C84-S88 WeakPolarHBondContact O-CB 3.26Å; C84-S88 PolarHBondContact O-N 3.27Å; C84-S88 VanDerWaalsContact O-N 3.11Å; C84-S88 PolarHBondContact O-OG 3.12Å; I85-S88 CarbonylContact O-C 3.55Å; I85-S88 PolarHBondContact O-N 2.96Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.91Å; I86-S88 VanDerWaalsContact C-N 3.26Å; I86-S88 PolarHBondContact O-N 2.93Å; S88-G91 CarbonylContact O-C 3.1Å; S88-G91 VanDerWaalsContact O-CA 3.22Å; S88-G91 WeakPolarHBondContact O-CA 3.45Å; S88-G91 PolarHBondContact O-N 3.41Å; S88-Y206 WeakPolarHBondContact OG-CE1 3.33Å; S88-Y206 PolarHBondContact OG-OH 3.17Å
89C97.4Very high97.2Very high12 Ų1212.5 Ų12.58%0.0816%0.062CC..THydrogen-bonded Turntrans-55.9140.6171.9-86.10000111.6I85 I86 G91 T209 L213I85-C89 PolarHBondContact O-N 3.12Å; I85-C89 PolarHBondContact O-SG 2.96Å; I85-C89 VanDerWaalsContact O-SG 3.38Å; I86-C89 PolarHBondContact O-N 2.72Å; C89-G91 VanDerWaalsContact C-N 3.29Å; C89-T209 WeakPolarHBondContact SG-CG2 3.38Å; C89-L213 HydrophobicContact CB-CD1 3.66Å
90P97.4Very high97.3Very high26 Ų2611.6 Ų11.617%0.1696%0.06CC..THydrogen-bonded Turncis-78.7-1.59.332.5-39000115Y200 E210P90-Y200 HydrophobicContact CB-CE2 3.93Å; P90-Y200 HydrophobicContact CG-CE1 4.16Å; P90-Y200 HydrophobicContact CG-CE2 3.87Å; P90-E210 HydrophobicContact CB-CB 4.41Å; P90-E210 HydrophobicContact CB-CG 3.92Å
91G97.9Very high97.2Very high0 Ų012.2 Ų12.20%06%0.064CC..  trans158145.3177.300000112.2R10 S88 C89 Y200 F201R10-G91 PolarHBondContact NE-O 3.18Å; R10-G91 PolarHBondContact NH2-O 3.49Å; R10-G91 VanDerWaalsContact NH2-O 3.17Å; S88-G91 CarbonylContact O-C 3.1Å; S88-G91 VanDerWaalsContact O-CA 3.22Å; S88-G91 WeakPolarHBondContact O-CA 3.45Å; S88-G91 PolarHBondContact O-N 3.41Å; C89-G91 VanDerWaalsContact C-N 3.29Å; G91-Y200 WeakPolarHBondContact O-CB 3.33Å; G91-F201 WeakPolarHBondContact CA-O 3.4Å
92P98.3Very high96.9Very high0 Ų013.1 Ų13.10%08%0.076CC..  trans-71.9141.2179.229.1-34.6000111.6V12 I95 F201 Y206V12-P92 HydrophobicContact CG2-CB 3.86Å; P92-I95 HydrophobicContact CB-CG1 4.41Å; P92-I95 HydrophobicContact CG-CD1 4.44Å; P92-I95 HydrophobicContact CG-CG1 3.99Å; P92-F201 HydrophobicContact CG-CB 4.25Å; P92-F201 HydrophobicContact CG-CD1 4.37Å; P92-F201 WeakPolarHBondContact O-CB 3.41Å; P92-F201 PolarHBondContact O-N 2.89Å; P92-Y206 WeakPolarHBondContact CD-OH 3.31Å
93H98.6Very high96.5Very high17 Ų1723.3 Ų23.38%0.07911%0.114CC..SBendtrans-74.6-38.3167-68.484.9000110.7S8 L9 R10 H126 I189 M192 V193 Y200S8-H93 PolarHBondContact O-CE1 2.94Å; L9-H93 HydrophobicContact CD1-CB 3.62Å; L9-H93 HydrophobicContact CG-CB 4.44Å; R10-H93 VanDerWaalsContact CZ-CE1 3.49Å; R10-H93 PolarHBondContact N-ND1 3.47Å; R10-H93 VanDerWaalsContact N-ND1 3.12Å; R10-H93 PolarHBondContact NH2-CE1 3.39Å; R10-H93 PolarHBondContact O-N 3.11Å; H93-H126 PolarHBondContact O-ND1 3.39Å; H93-I189 HydrophobicContact CB-CG2 4.48Å; H93-M192 VanDerWaalsContact O-CE 3.24Å; H93-M192 WeakPolarHBondContact O-CE 3.31Å; H93-V193 HydrophobicContact CB-CG2 4.05Å; H93-Y200 AromaticContact NE2-CD1 3.91Å
94A98.8Very high96.4Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-134.8135.417700000112.4R10 I11 V12 V96 H126 I189 M192R10-A94 PolarHBondContact O-N 3.44Å; I11-A94 HydrophobicContact CG2-CB 4.48Å; V12-A94 PolarHBondContact N-O 3.36Å; A94-V96 HydrophobicContact CB-CG2 4.22Å; A94-H126 WeakPolarHBondContact CA-O 3.21Å; A94-I189 HydrophobicContact CB-CB 4.39Å; A94-I189 HydrophobicContact CB-CD1 3.62Å; A94-I189 HydrophobicContact CB-CG1 3.67Å; A94-I189 HydrophobicContact CB-CG2 3.83Å; A94-M192 HydrophobicContact CB-CE 3.93Å
95I98.7Very high96.2Very high8 Ų822.2 Ų22.24%0.04111%0.112CC..EExtended strand (participates in β ladder)trans-101.9105.4164.7-57.8168.9000106.1V14 P92 I115 A123 H126 M127 V128V14-I95 HydrophobicContact CG1-CG2 4.47Å; V14-I95 HydrophobicContact CG2-CG2 3.78Å; P92-I95 HydrophobicContact CB-CG1 4.41Å; P92-I95 HydrophobicContact CG-CD1 4.44Å; P92-I95 HydrophobicContact CG-CG1 3.99Å; I95-I115 HydrophobicContact CG2-CD1 4.3Å; I95-A123 HydrophobicContact CD1-CB 4.11Å; I95-H126 PolarHBondContact N-O 2.9Å; I95-M127 HydrophobicContact CG2-CE 3.93Å; I95-M127 VanDerWaalsContact O-CA 3.22Å; I95-M127 WeakPolarHBondContact O-CA 3.5Å; I95-M127 WeakPolarHBondContact O-CG 3.27Å; I95-V128 PolarHBondContact O-N 2.85Å
96V98.8Very high95.8Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-94.7109.1-177-177.60000109I11 V12 L13 V14 A94 V98 V128 L130 L185I11-V96 HydrophobicContact CG2-CB 4.49Å; I11-V96 HydrophobicContact CG2-CG2 3.52Å; V12-V96 PolarHBondContact O-N 2.99Å; L13-V96 HydrophobicContact CD2-CB 3.73Å; L13-V96 HydrophobicContact CD2-CG1 4.07Å; L13-V96 HydrophobicContact CD2-CG2 4.2Å; V14-V96 WeakPolarHBondContact CG2-O 3.46Å; V14-V96 PolarHBondContact N-O 3.3Å; A94-V96 HydrophobicContact CB-CG2 4.22Å; V96-V98 HydrophobicContact CG1-CG2 4.12Å; V96-V98 PolarHBondContact O-N 2.96Å; V96-V128 CarbonylContact C-O 3.51Å; V96-V128 WeakPolarHBondContact CA-O 3.46Å; V96-L130 HydrophobicContact CG1-CB 3.47Å; V96-L130 VanDerWaalsContact CG1-CB 3.47Å; V96-L130 HydrophobicContact CG1-CD1 4.1Å; V96-L130 HydrophobicContact CG1-CG 4.4Å; V96-L185 HydrophobicContact CG2-CD1 4.48Å
97L98.1Very high95.4Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-76.8114.6170-178.366.8000108.3V14 L99 Y104 T111 V112 M127 V128 L130 I156V14-L97 HydrophobicContact CG2-CD1 4.28Å; L97-L99 HydrophobicContact CB-CD1 4.3Å; L97-L99 HydrophobicContact CD2-CD1 3.92Å; L97-L99 HydrophobicContact CG-CD1 3.64Å; L97-L99 HydrophobicContact CG-CG 4.33Å; L97-L99 VanDerWaalsContact O-CD1 3.3Å; L97-L99 WeakPolarHBondContact O-CD1 3.44Å; L97-Y104 HydrophobicContact CD2-CE2 4.43Å; L97-T111 HydrophobicContact CD1-CG2 4.1Å; L97-V112 HydrophobicContact CD1-CG2 4.24Å; L97-V112 HydrophobicContact CD2-CG2 3.62Å; L97-M127 HydrophobicContact CB-CG 4.4Å; L97-M127 HydrophobicContact CB-SD 4.19Å; L97-M127 HydrophobicContact CD2-SD 4.48Å; L97-V128 PolarHBondContact N-O 2.83Å; L97-L130 PolarHBondContact O-N 3.25Å; L97-I156 HydrophobicContact CD2-CG1 4.36Å
98V97.9Very high95.2Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-99.2117.3-178-175.10000110.1L13 V14 S19 K21 V96 L130 T132L13-V98 HydrophobicContact CB-CG2 4.2Å; L13-V98 HydrophobicContact CD2-CG2 4.35Å; V14-V98 PolarHBondContact O-N 3.33Å; S19-V98 WeakPolarHBondContact CB-O 3.33Å; S19-V98 PolarHBondContact OG-O 3.42Å; K21-V98 HydrophobicContact CG-CB 3.91Å; K21-V98 HydrophobicContact CG-CG1 4.25Å; K21-V98 HydrophobicContact CG-CG2 4.09Å; V96-V98 HydrophobicContact CG1-CG2 4.12Å; V96-V98 PolarHBondContact O-N 2.96Å; V98-L130 WeakPolarHBondContact CA-O 3.43Å; V98-L130 HydrophobicContact CG1-CD2 4.07Å; V98-T132 HydrophobicContact CG1-CG2 3.63Å
99L96.9Very high95Very high1 Ų135.3 Ų35.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-119.1156.8179.5-54.383.9000110L97 Y104 I129 L130 F131 T132 L153L97-L99 HydrophobicContact CB-CD1 4.3Å; L97-L99 HydrophobicContact CD2-CD1 3.92Å; L97-L99 HydrophobicContact CG-CD1 3.64Å; L97-L99 HydrophobicContact CG-CG 4.33Å; L97-L99 VanDerWaalsContact O-CD1 3.3Å; L97-L99 WeakPolarHBondContact O-CD1 3.44Å; L99-Y104 HydrophobicContact CD2-CD2 3.69Å; L99-Y104 HydrophobicContact CD2-CE2 4.31Å; L99-I129 HydrophobicContact CD1-CG2 3.55Å; L99-L130 PolarHBondContact N-O 3.27Å; L99-F131 HydrophobicContact CB-CD1 4.21Å; L99-F131 HydrophobicContact CB-CE1 4.44Å; L99-F131 CarbonylContact O-C 3.57Å; L99-F131 WeakPolarHBondContact O-CA 3.32Å; L99-T132 PolarHBondContact O-N 3.3Å; L99-T132 PolarHBondContact O-OG1 3.16Å; L99-L153 HydrophobicContact CD2-CD1 4.47Å
100L95.7Very high94.7Very high47 Ų4737.3 Ų37.325%0.24618%0.178CC..EExtended strand (participates in β ladder)trans-72.9148.8161.6-66.7168.2000108.9G102 R133L100-G102 PolarHBondContact O-N 3.26Å; L100-R133 HydrophobicContact CD2-CG 4.08Å
101L93.4Very high94.5Very high26 Ų2636 Ų3614%0.13617%0.17CC..SBendtrans-54127.3164.8-161.976000109.4F131 T132 E136 L137 F145L101-F131 HydrophobicContact CD1-CB 4.18Å; L101-F131 HydrophobicContact CD1-CD1 4.44Å; L101-F131 HydrophobicContact CD1-CG 4.5Å; L101-T132 WeakPolarHBondContact CB-O 3.34Å; L101-T132 PolarHBondContact N-O 2.93Å; L101-E136 HydrophobicContact CD2-CB 4.22Å; L101-L137 HydrophobicContact CD1-CD1 4.46Å; L101-L137 HydrophobicContact CD1-CD2 4.27Å; L101-L137 HydrophobicContact CD1-CG 4.35Å; L101-L137 HydrophobicContact CD2-CD2 3.67Å; L101-L137 HydrophobicContact CD2-CG 3.63Å; L101-L137 HydrophobicContact CG-CD2 4.48Å; L101-F145 HydrophobicContact CD1-CD1 3.83Å; L101-F145 HydrophobicContact CD1-CE1 3.64Å; L101-F145 HydrophobicContact CD1-CE2 4.46Å; L101-F145 HydrophobicContact CD1-CG 4.36Å; L101-F145 HydrophobicContact CD1-CZ 4Å; L101-F145 HydrophobicContact CG-CE1 4.1Å; L101-F145 HydrophobicContact CG-CE2 4.21Å; L101-F145 HydrophobicContact CG-CZ 3.92Å
102G88.6Confident94.4Very high30 Ų3036.1 Ų36.131%0.30917%0.171SC..SBendtrans127.5-127.5-177.700000113.7L100L100-G102 PolarHBondContact O-N 3.26Å
103R88.4Confident94.2Very high213 Ų21338.2 Ų38.280%0.80419%0.188SC*.  trans-84.7145.4-167.4-62.8-179.6-178.8172.60.5112.9T105R103-T105 PolarHBondContact O-N 2.92Å
104Y92.8Very high93.9Very high27 Ų2737.5 Ų37.511%0.10618%0.184CC..  trans-87100.2168.5-175.7-132.9000111.1L97 L99 E108 Q109 V112 I156L97-Y104 HydrophobicContact CD2-CE2 4.43Å; L99-Y104 HydrophobicContact CD2-CD2 3.69Å; L99-Y104 HydrophobicContact CD2-CE2 4.31Å; Y104-E108 HydrophobicContact CD2-CB 3.7Å; Y104-E108 HydrophobicContact CE2-CB 3.51Å; Y104-Q109 HydrophobicContact CD1-CG 3.79Å; Y104-Q109 HydrophobicContact CE1-CB 4.43Å; Y104-Q109 HydrophobicContact CE1-CG 3.31Å; Y104-Q109 HydrophobicContact CE2-CG 4.35Å; Y104-Q109 HydrophobicContact CG-CG 4.48Å; Y104-Q109 PolarHBondContact O-NE2 3.4Å; Y104-Q109 WeakPolarHBondContact OH-CA 3.41Å; Y104-V112 WeakPolarHBondContact OH-CG2 3.31Å; Y104-I156 HydrophobicContact CD1-CG2 4.03Å; Y104-I156 HydrophobicContact CD2-CG2 4.34Å; Y104-I156 HydrophobicContact CE1-CB 3.99Å; Y104-I156 HydrophobicContact CE1-CG2 3.87Å; Y104-I156 HydrophobicContact CE2-CG1 4.45Å; Y104-I156 HydrophobicContact CE2-CG2 4.2Å; Y104-I156 HydrophobicContact CG-CG2 4.26Å
105T92.3Very high93.7Very high35 Ų3537.9 Ų37.922%0.21519%0.186CC..  trans-81.5164.5-170.358.70000113.8K16 R103 E107 E108 Q109K16-T105 VanDerWaalsContact NZ-CG2 3.32Å; K16-T105 PolarHBondContact NZ-OG1 3.39Å; R103-T105 PolarHBondContact O-N 2.92Å; T105-E107 VanDerWaalsContact C-N 3.31Å; T105-E107 PolarHBondContact O-N 2.87Å; T105-E108 WeakPolarHBondContact CB-OE2 3.43Å; T105-E108 PolarHBondContact N-OE2 3.24Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 PolarHBondContact OG1-OE1 3.05Å; T105-E108 PolarHBondContact OG1-OE2 3.48Å; T105-Q109 WeakPolarHBondContact O-CG 3.27Å; T105-Q109 PolarHBondContact O-N 3Å
106E90Very high93.5Very high128 Ų12839.9 Ų39.960%0.59820%0.195SC*.Hα-helixtrans-61.4-36.7179.3-68-170.8-177.100112.7E108 Q109 K110E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.03Å; E106-Q109 WeakPolarHBondContact O-CB 3.42Å; E106-Q109 PolarHBondContact O-N 3.17Å; E106-K110 WeakPolarHBondContact O-CG 3.47Å; E106-K110 PolarHBondContact O-N 3.09Å
107E89.4Confident93.3Very high79 Ų7942 Ų4237%0.36921%0.212SC..Hα-helixtrans-63-38.8176.6-64.887.6170.700111.7K16 T105 K110 T111K16-E107 HydrophobicContact CB-CB 3.95Å; K16-E107 HydrophobicContact CD-CB 4.33Å; T105-E107 VanDerWaalsContact C-N 3.31Å; T105-E107 PolarHBondContact O-N 2.87Å; E107-K110 PolarHBondContact O-N 3.03Å; E107-T111 WeakPolarHBondContact O-CB 3.47Å; E107-T111 PolarHBondContact O-N 3.03Å; E107-T111 PolarHBondContact O-OG1 3.47Å
108E92.8Very high93Very high1 Ų142.4 Ų42.41%0.00522%0.215CC..Hα-helixtrans-70.3-38.6176.7-68147.5179.400110.8K16 Y104 T105 E106 K110 T111 V112K16-E108 HydrophobicContact CD-CG 4.35Å; K16-E108 WeakPolarHBondContact CE-OE1 3.39Å; K16-E108 HydrophobicContact CG-CG 4.35Å; K16-E108 IonicContact NZ-OE1 2.77Å; K16-E108 PolarHBondContact NZ-OE1 3.25Å; Y104-E108 HydrophobicContact CD2-CB 3.7Å; Y104-E108 HydrophobicContact CE2-CB 3.51Å; T105-E108 WeakPolarHBondContact CB-OE2 3.43Å; T105-E108 PolarHBondContact N-OE2 3.24Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 PolarHBondContact OG1-OE1 3.05Å; T105-E108 PolarHBondContact OG1-OE2 3.48Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.03Å; E108-K110 PolarHBondContact O-N 3.35Å; E108-T111 VanDerWaalsContact O-CB 3.31Å; E108-T111 WeakPolarHBondContact O-CB 3.46Å; E108-T111 PolarHBondContact O-N 3.07Å; E108-V112 PolarHBondContact O-N 3.13Å
109Q93.4Very high92.8Very high92 Ų9243.6 Ų43.643%0.4322%0.22SC..Hα-helixtrans-60.2-44.1172-69.8175.139.900112.3Y104 T105 E106 T111 V112 A113Y104-Q109 HydrophobicContact CD1-CG 3.79Å; Y104-Q109 HydrophobicContact CE1-CB 4.43Å; Y104-Q109 HydrophobicContact CE1-CG 3.31Å; Y104-Q109 HydrophobicContact CE2-CG 4.35Å; Y104-Q109 HydrophobicContact CG-CG 4.48Å; Y104-Q109 PolarHBondContact O-NE2 3.4Å; Y104-Q109 WeakPolarHBondContact OH-CA 3.41Å; T105-Q109 WeakPolarHBondContact O-CG 3.27Å; T105-Q109 PolarHBondContact O-N 3Å; E106-Q109 WeakPolarHBondContact O-CB 3.42Å; E106-Q109 PolarHBondContact O-N 3.17Å; Q109-T111 VanDerWaalsContact C-N 3.35Å; Q109-V112 PolarHBondContact O-N 2.96Å; Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 2.96Å
110K91.5Very high92.7Very high53 Ų5344.9 Ų44.923%0.2323%0.234CC..Hα-helixtrans-63.9-40.6174.8-71.5175.9-173.2-178.10111.7F68 E106 E107 E108 V112 A113 L114 F291F68-K110 HydrophobicContact CB-CB 4.47Å; F68-K110 HydrophobicContact CD1-CB 4.15Å; F68-K110 HydrophobicContact CD1-CD 4.47Å; F68-K110 HydrophobicContact CD2-CB 3.78Å; F68-K110 HydrophobicContact CE1-CB 4.35Å; F68-K110 HydrophobicContact CE2-CB 3.99Å; F68-K110 VanDerWaalsContact CE2-O 3.22Å; F68-K110 WeakPolarHBondContact CE2-O 3.24Å; F68-K110 HydrophobicContact CG-CB 3.85Å; F68-K110 HydrophobicContact CZ-CB 4.26Å; E106-K110 WeakPolarHBondContact O-CG 3.47Å; E106-K110 PolarHBondContact O-N 3.09Å; E107-K110 PolarHBondContact O-N 3.03Å; E108-K110 PolarHBondContact O-N 3.35Å; K110-V112 PolarHBondContact O-N 2.77Å; K110-A113 PolarHBondContact O-N 2.77Å; K110-L114 WeakPolarHBondContact O-CB 3.42Å; K110-L114 PolarHBondContact O-N 3.46Å; K110-F291 HydrophobicContact CB-CD1 4.47Å; K110-F291 PolarHBondContact NZ-O 2.96Å
111T93.1Very high92.7Very high0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-54.9-52174.2-57.40000110.6V14 L67 L97 E107 E108 Q109 L114 I115V14-T111 HydrophobicContact CB-CG2 4.43Å; L67-T111 HydrophobicContact CD1-CG2 3.97Å; L97-T111 HydrophobicContact CD1-CG2 4.1Å; E107-T111 WeakPolarHBondContact O-CB 3.47Å; E107-T111 PolarHBondContact O-N 3.03Å; E107-T111 PolarHBondContact O-OG1 3.47Å; E108-T111 VanDerWaalsContact O-CB 3.31Å; E108-T111 WeakPolarHBondContact O-CB 3.46Å; E108-T111 PolarHBondContact O-N 3.07Å; Q109-T111 VanDerWaalsContact C-N 3.35Å; T111-L114 PolarHBondContact O-N 3.45Å; T111-I115 HydrophobicContact CG2-CD1 4.21Å; T111-I115 WeakPolarHBondContact O-CG1 3.45Å; T111-I115 PolarHBondContact O-N 3.47Å; T111-I115 VanDerWaalsContact O-N 3.08Å
112V94.9Very high92.9Very high2 Ų252.5 Ų52.51%0.01227%0.271CS..Hα-helixtrans-65.1-42178.6171.50000111.9L97 Y104 E108 Q109 K110 L114 I115 K116 M124 M127 I156L97-V112 HydrophobicContact CD1-CG2 4.24Å; L97-V112 HydrophobicContact CD2-CG2 3.62Å; Y104-V112 WeakPolarHBondContact OH-CG2 3.31Å; E108-V112 PolarHBondContact O-N 3.13Å; Q109-V112 PolarHBondContact O-N 2.96Å; K110-V112 PolarHBondContact O-N 2.77Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 2.97Å; V112-I115 PolarHBondContact O-N 3.49Å; V112-K116 HydrophobicContact CG1-CD 4.05Å; V112-K116 WeakPolarHBondContact O-CG 3.12Å; V112-K116 PolarHBondContact O-N 3.34Å; V112-M124 HydrophobicContact CG1-CE 3.9Å; V112-M124 HydrophobicContact CG1-SD 4.12Å; V112-M127 HydrophobicContact CG2-SD 4.44Å; V112-I156 HydrophobicContact CB-CD1 4.44Å; V112-I156 HydrophobicContact CG1-CD1 3.73Å; V112-I156 HydrophobicContact CG2-CD1 3.99Å; V112-I156 HydrophobicContact CG2-CG1 4.41Å
113A94.2Very high93.3Very high43 Ų4351 Ų5136%0.35526%0.257SS..Hα-helixtrans-62.9-38178.600000112.2Q109 K110 K116 A117 F291Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 2.96Å; K110-A113 PolarHBondContact O-N 2.77Å; A113-K116 PolarHBondContact O-N 3.11Å; A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 3.23Å; A113-F291 HydrophobicContact CB-CE1 3.84Å
114L92.6Very high93.7Very high2 Ų241.3 Ų41.31%0.0122%0.221CC..Hα-helixtrans-64.5-47.3174.8178.771.1000111.5L67 F68 T77 I81 K110 T111 V112 K116 A117 V118 L284 F291L67-L114 HydrophobicContact CB-CD2 4.48Å; L67-L114 HydrophobicContact CD1-CD2 4.17Å; F68-L114 HydrophobicContact CE2-CB 3.55Å; F68-L114 HydrophobicContact CE2-CD2 3.39Å; F68-L114 HydrophobicContact CE2-CG 4.03Å; F68-L114 HydrophobicContact CZ-CB 3.6Å; F68-L114 HydrophobicContact CZ-CD1 4.08Å; F68-L114 HydrophobicContact CZ-CD2 3.46Å; F68-L114 VanDerWaalsContact CZ-CD2 3.46Å; F68-L114 HydrophobicContact CZ-CG 3.89Å; T77-L114 HydrophobicContact CG2-CD2 4.14Å; I81-L114 HydrophobicContact CD1-CD1 4.4Å; I81-L114 HydrophobicContact CD1-CD2 3.85Å; I81-L114 HydrophobicContact CD1-CG 4.39Å; K110-L114 WeakPolarHBondContact O-CB 3.42Å; K110-L114 PolarHBondContact O-N 3.46Å; T111-L114 PolarHBondContact O-N 3.45Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 2.97Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 2.96Å; L114-A117 PolarHBondContact O-N 2.96Å; L114-V118 HydrophobicContact CD1-CG2 4.21Å; L114-V118 HydrophobicContact CG-CG2 4.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.36Å; L114-L284 HydrophobicContact CD1-CD1 4.21Å; L114-L284 HydrophobicContact CD1-CD2 3.54Å; L114-F291 HydrophobicContact CB-CE1 4.05Å; L114-F291 HydrophobicContact CB-CZ 4.24Å; L114-F291 HydrophobicContact CD1-CE2 4.28Å; L114-F291 HydrophobicContact CD1-CZ 4.21Å
115I94.1Very high94Very high8 Ų846.2 Ų46.24%0.04124%0.242CC..Hα-helixtrans-57.8-46.7177.3-69165.8000110.1V14 I95 T111 V112 A117 V118 F119 A123 M127V14-I115 HydrophobicContact CB-CD1 4.37Å; V14-I115 HydrophobicContact CG2-CD1 3.77Å; I95-I115 HydrophobicContact CG2-CD1 4.3Å; T111-I115 HydrophobicContact CG2-CD1 4.21Å; T111-I115 WeakPolarHBondContact O-CG1 3.45Å; T111-I115 PolarHBondContact O-N 3.47Å; T111-I115 VanDerWaalsContact O-N 3.08Å; V112-I115 PolarHBondContact O-N 3.49Å; I115-A117 VanDerWaalsContact C-N 3.28Å; I115-A117 PolarHBondContact O-N 3.33Å; I115-V118 PolarHBondContact O-N 3.32Å; I115-F119 HydrophobicContact CG2-CD2 4.14Å; I115-F119 WeakPolarHBondContact O-CB 3.2Å; I115-F119 PolarHBondContact O-N 3.36Å; I115-A123 HydrophobicContact CG2-CB 4.08Å; I115-M127 HydrophobicContact CB-CE 4.42Å; I115-M127 HydrophobicContact CD1-CE 3.72Å; I115-M127 HydrophobicContact CG2-CE 3.88Å
116K95.6Very high94.3Very high50 Ų5045.4 Ų45.422%0.21724%0.236CC..Hα-helixtrans-61.4-35.1175.8-72.7170.2175.3170.60112.8V112 A113 L114 G120 M124 E159V112-K116 HydrophobicContact CG1-CD 4.05Å; V112-K116 WeakPolarHBondContact O-CG 3.12Å; V112-K116 PolarHBondContact O-N 3.34Å; A113-K116 PolarHBondContact O-N 3.11Å; L114-K116 VanDerWaalsContact C-N 3.3Å; L114-K116 PolarHBondContact O-N 2.96Å; K116-G120 CarbonylContact O-C 3.49Å; K116-G120 WeakPolarHBondContact O-CA 3.28Å; K116-G120 PolarHBondContact O-N 3.48Å; K116-M124 HydrophobicContact CD-SD 4.31Å; K116-M124 VanDerWaalsContact CE-SD 3.56Å; K116-M124 HydrophobicContact CG-CG 4.09Å; K116-M124 HydrophobicContact CG-SD 3.83Å; K116-E159 VanDerWaalsContact CE-OE2 3.23Å; K116-E159 WeakPolarHBondContact CE-OE2 3.32Å; K116-E159 VanDerWaalsContact NZ-CD 3.25Å; K116-E159 IonicContact NZ-OE1 3.67Å; K116-E159 PolarHBondContact NZ-OE1 3.22Å; K116-E159 VanDerWaalsContact NZ-OE1 3.16Å; K116-E159 IonicContact NZ-OE2 2.72Å; K116-E159 PolarHBondContact NZ-OE2 3.34Å
117A93.1Very high94.7Very high45 Ų4539.3 Ų39.337%0.37221%0.207SC..Hα-helixtrans-75.8-34.8-17900000112.7A113 L114 I115 I287 F291A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 3.23Å; L114-A117 PolarHBondContact O-N 2.96Å; I115-A117 VanDerWaalsContact C-N 3.28Å; I115-A117 PolarHBondContact O-N 3.33Å; A117-I287 HydrophobicContact CB-CD1 3.49Å; A117-I287 VanDerWaalsContact CB-CD1 3.49Å; A117-F291 HydrophobicContact CB-CZ 4.26Å
118V91.7Very high95.1Very high9 Ų935.5 Ų35.56%0.05519%0.19CC..Hα-helixtrans-81.9-48.5179.3177.60000111.4L114 I115 I205 I280 M283 L284L114-V118 HydrophobicContact CD1-CG2 4.21Å; L114-V118 HydrophobicContact CG-CG2 4.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.36Å; I115-V118 PolarHBondContact O-N 3.32Å; V118-I205 HydrophobicContact CG1-CD1 3.8Å; V118-I205 WeakPolarHBondContact O-CD1 3.47Å; V118-I280 HydrophobicContact CG1-CD1 4.24Å; V118-M283 WeakPolarHBondContact O-CE 3.43Å; V118-L284 HydrophobicContact CG2-CD2 3.68Å; V118-L284 HydrophobicContact CG2-CG 4.42Å
119F94.1Very high95.4Very high24 Ų2435.5 Ų35.511%0.10519%0.19CC..Hα-helixtrans-108.7-0.7-168.8-58.4-68.1000113.6I85 I115 A123 F201 D203 I205 Y206I85-F119 HydrophobicContact CD1-CE1 3.84Å; I85-F119 HydrophobicContact CD1-CZ 3.75Å; I85-F119 HydrophobicContact CG1-CE1 3.87Å; I85-F119 HydrophobicContact CG1-CZ 3.65Å; I115-F119 HydrophobicContact CG2-CD2 4.14Å; I115-F119 WeakPolarHBondContact O-CB 3.2Å; I115-F119 PolarHBondContact O-N 3.36Å; F119-A123 HydrophobicContact CB-CB 3.74Å; F119-F201 HydrophobicContact CB-CE1 3.89Å; F119-F201 HydrophobicContact CB-CZ 3.71Å; F119-F201 AromaticContact CD1-CE1 3.87Å; F119-F201 HydrophobicContact CD1-CE1 3.87Å; F119-F201 HydrophobicContact CD1-CZ 4.42Å; F119-F201 HydrophobicContact CG-CE1 4.11Å; F119-F201 HydrophobicContact CG-CZ 4.42Å; F119-D203 WeakPolarHBondContact CD1-OD2 3.45Å; F119-I205 HydrophobicContact CD1-CD1 4.42Å; F119-I205 HydrophobicContact CE1-CD1 4.47Å; F119-Y206 HydrophobicContact CD1-CD2 4.39Å; F119-Y206 AromaticContact CD1-CE2 3.84Å; F119-Y206 HydrophobicContact CD1-CE2 3.84Å; F119-Y206 HydrophobicContact CE1-CD2 4.26Å; F119-Y206 AromaticContact CE1-CE2 3.52Å; F119-Y206 HydrophobicContact CE1-CE2 3.52Å; F119-Y206 HydrophobicContact CZ-CE2 4.29Å
120G94.7Very high95.6Very high28 Ų2831.1 Ų31.129%0.28917%0.169SC..  trans77.1176.3-177.300000114.1K116 S122 A123K116-G120 CarbonylContact O-C 3.49Å; K116-G120 WeakPolarHBondContact O-CA 3.28Å; K116-G120 PolarHBondContact O-N 3.48Å; G120-S122 PolarHBondContact O-N 3.34Å; G120-A123 WeakPolarHBondContact O-CB 3.42Å; G120-A123 PolarHBondContact O-N 3.15Å
121K96.4Very high95.9Very high171 Ų17128.6 Ų28.674%0.74316%0.158SC*.G310 helixtrans-68.6-22.2178.8-69.9-172.6178.7-1780113.3A123 M124K121-A123 PolarHBondContact O-N 3.28Å; K121-M124 WeakPolarHBondContact O-CB 3.31Å; K121-M124 WeakPolarHBondContact O-CG 3.49Å; K121-M124 PolarHBondContact O-N 3.45Å; K121-M124 VanDerWaalsContact O-N 3.13Å
122S96.4Very high96.2Very high62 Ų6228.8 Ų28.843%0.43416%0.16SC..G310 helixtrans-60.6-31.6176.944.70000112.2G120 M124 K125G120-S122 PolarHBondContact O-N 3.34Å; S122-M124 PolarHBondContact O-N 3.06Å; S122-M124 VanDerWaalsContact O-N 3.17Å; S122-K125 WeakPolarHBondContact O-CB 3.48Å; S122-K125 PolarHBondContact O-N 3.43Å
123A96.9Very high96.2Very high0 Ų033.7 Ų33.70%018%0.178CC..G310 helixtrans-57.4-29.6175.300000113.1I95 I115 F119 G120 K121 K125 H126 M127 F201I95-A123 HydrophobicContact CD1-CB 4.11Å; I115-A123 HydrophobicContact CG2-CB 4.08Å; F119-A123 HydrophobicContact CB-CB 3.74Å; G120-A123 WeakPolarHBondContact O-CB 3.42Å; G120-A123 PolarHBondContact O-N 3.15Å; K121-A123 PolarHBondContact O-N 3.28Å; A123-K125 PolarHBondContact O-N 3.09Å; A123-H126 PolarHBondContact O-N 3.1Å; A123-M127 PolarHBondContact O-N 3.05Å; A123-F201 HydrophobicContact CB-CD2 4.48Å; A123-F201 HydrophobicContact CB-CE2 3.99Å; A123-F201 HydrophobicContact CB-CZ 4.05Å
124M97.9Very high96.4Very high9 Ų934.6 Ų34.64%0.04417%0.174CC..G310 helixtrans-66-24.1178.3-56.6-56.8-61.600112.8V112 K116 K121 S122 H126 M127 I156 E159 R163V112-M124 HydrophobicContact CG1-CE 3.9Å; V112-M124 HydrophobicContact CG1-SD 4.12Å; K116-M124 HydrophobicContact CD-SD 4.31Å; K116-M124 VanDerWaalsContact CE-SD 3.56Å; K116-M124 HydrophobicContact CG-CG 4.09Å; K116-M124 HydrophobicContact CG-SD 3.83Å; K121-M124 WeakPolarHBondContact O-CB 3.31Å; K121-M124 WeakPolarHBondContact O-CG 3.49Å; K121-M124 PolarHBondContact O-N 3.45Å; K121-M124 VanDerWaalsContact O-N 3.13Å; S122-M124 PolarHBondContact O-N 3.06Å; S122-M124 VanDerWaalsContact O-N 3.17Å; M124-H126 PolarHBondContact O-N 3.34Å; M124-M127 HydrophobicContact CE-CE 4.16Å; M124-M127 HydrophobicContact CE-SD 3.45Å; M124-M127 WeakPolarHBondContact CE-SD 3.12Å; M124-M127 WeakPolarHBondContact O-CB 3.42Å; M124-M127 PolarHBondContact O-N 3.28Å; M124-M127 VanDerWaalsContact O-N 3.15Å; M124-M127 HydrophobicContact SD-CE 3.78Å; M124-M127 HydrophobicContact SD-SD 3.91Å; M124-I156 HydrophobicContact CE-CD1 3.6Å; M124-E159 HydrophobicContact CE-CB 4.32Å; M124-R163 PolarHBondContact O-NH2 3.07Å
125K98.1Very high96.5Very high130 Ų13038.5 Ų38.557%0.56519%0.192SC*.G310 helixtrans-67.6-25.4174.3-63-174.1176.1-174.90112.6S122 A123 R163 M192 N196S122-K125 WeakPolarHBondContact O-CB 3.48Å; S122-K125 PolarHBondContact O-N 3.43Å; A123-K125 PolarHBondContact O-N 3.09Å; K125-R163 PolarHBondContact O-NH2 2.86Å; K125-M192 WeakPolarHBondContact O-CG 2.88Å; K125-M192 VanDerWaalsContact O-SD 3.36Å; K125-N196 PolarHBondContact O-ND2 3.08Å
126H98.6Very high96.5Very high17 Ų1742.9 Ų42.98%0.07921%0.212CC..G310 helixtrans-99.36.9174.8-65.6-96.2000112.3H93 A94 I95 A123 M124 M192 A199 F201H93-H126 PolarHBondContact O-ND1 3.39Å; A94-H126 WeakPolarHBondContact CA-O 3.21Å; I95-H126 PolarHBondContact N-O 2.9Å; A123-H126 PolarHBondContact O-N 3.1Å; M124-H126 PolarHBondContact O-N 3.34Å; H126-M192 VanDerWaalsContact CA-SD 3.57Å; H126-M192 HydrophobicContact CB-CE 4.4Å; H126-M192 WeakPolarHBondContact O-CE 3.25Å; H126-A199 PolarHBondContact CE1-O 2.82Å; H126-F201 HydrophobicContact CB-CB 4.18Å; H126-F201 AromaticContact CD2-CD2 3.9Å; H126-F201 PolarHBondContact CE1-N 2.79Å
127M98.7Very high96.4Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-89.6133.4179.4-168.6171.7-72.500111.2I95 L97 V112 I115 A123 M124 R163I95-M127 HydrophobicContact CG2-CE 3.93Å; I95-M127 VanDerWaalsContact O-CA 3.22Å; I95-M127 WeakPolarHBondContact O-CA 3.5Å; I95-M127 WeakPolarHBondContact O-CG 3.27Å; L97-M127 HydrophobicContact CB-CG 4.4Å; L97-M127 HydrophobicContact CB-SD 4.19Å; L97-M127 HydrophobicContact CD2-SD 4.48Å; V112-M127 HydrophobicContact CG2-SD 4.44Å; I115-M127 HydrophobicContact CB-CE 4.42Å; I115-M127 HydrophobicContact CD1-CE 3.72Å; I115-M127 HydrophobicContact CG2-CE 3.88Å; A123-M127 PolarHBondContact O-N 3.05Å; M124-M127 HydrophobicContact CE-CE 4.16Å; M124-M127 HydrophobicContact CE-SD 3.45Å; M124-M127 WeakPolarHBondContact CE-SD 3.12Å; M124-M127 WeakPolarHBondContact O-CB 3.42Å; M124-M127 PolarHBondContact O-N 3.28Å; M124-M127 VanDerWaalsContact O-N 3.15Å; M124-M127 HydrophobicContact SD-CE 3.78Å; M124-M127 HydrophobicContact SD-SD 3.91Å; M127-R163 PolarHBondContact O-NE 3.01Å; M127-R163 PolarHBondContact O-NH2 3.37Å
128V98.6Very high96.3Very high0 Ų047.2 Ų47.20%023%0.226CC..EExtended strand (participates in β ladder)trans-120.5142.9171.6178.90000108.2I95 V96 L97 R163 L185 L188 I189 M192I95-V128 PolarHBondContact O-N 2.85Å; V96-V128 CarbonylContact C-O 3.51Å; V96-V128 WeakPolarHBondContact CA-O 3.46Å; L97-V128 PolarHBondContact N-O 2.83Å; V128-R163 HydrophobicContact CG1-CB 4.36Å; V128-R163 HydrophobicContact CG2-CB 4.25Å; V128-L185 HydrophobicContact CG1-CD1 4.27Å; V128-L188 HydrophobicContact CG1-CD2 3.59Å; V128-L188 HydrophobicContact CG1-CG 4.31Å; V128-I189 HydrophobicContact CG2-CG1 4.32Å; V128-M192 HydrophobicContact CG2-CE 3.95Å; V128-M192 HydrophobicContact CG2-SD 3.62Å
129I98.3Very high96.1Very high0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-98.8126.7176.5-61.5-175.4000108.8L99 F131 I156 V157 C160 R163 C164 C165L99-I129 HydrophobicContact CD1-CG2 3.55Å; I129-F131 HydrophobicContact CG2-CD2 3.94Å; I129-F131 HydrophobicContact CG2-CE2 3.41Å; I129-F131 VanDerWaalsContact CG2-CE2 3.41Å; I129-F131 HydrophobicContact CG2-CZ 3.9Å; I129-I156 HydrophobicContact CD1-CG1 4.12Å; I129-I156 HydrophobicContact CD1-CG2 4.2Å; I129-V157 HydrophobicContact CD1-CB 4.39Å; I129-V157 HydrophobicContact CD1-CG2 3.85Å; I129-C160 HydrophobicContact CD1-CB 3.98Å; I129-C160 HydrophobicContact CG1-CB 3.94Å; I129-R163 PolarHBondContact N-O 2.77Å; I129-C164 CarbonylContact O-C 3.56Å; I129-C164 VanDerWaalsContact O-CA 3.26Å; I129-C164 WeakPolarHBondContact O-CA 3.36Å; I129-C165 PolarHBondContact O-N 3.01Å
130L98.6Very high96Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-120.5122.1175.6-176.1152.4000109.7T24 V96 L97 V98 L99 T132 C165 F167 L185T24-L130 HydrophobicContact CG2-CD1 3.61Å; T24-L130 HydrophobicContact CG2-CD2 3.84Å; T24-L130 HydrophobicContact CG2-CG 4.42Å; V96-L130 HydrophobicContact CG1-CB 3.47Å; V96-L130 VanDerWaalsContact CG1-CB 3.47Å; V96-L130 HydrophobicContact CG1-CD1 4.1Å; V96-L130 HydrophobicContact CG1-CG 4.4Å; L97-L130 PolarHBondContact O-N 3.25Å; V98-L130 WeakPolarHBondContact CA-O 3.43Å; V98-L130 HydrophobicContact CG1-CD2 4.07Å; L99-L130 PolarHBondContact N-O 3.27Å; L130-T132 HydrophobicContact CD2-CG2 3.81Å; L130-C165 WeakPolarHBondContact CA-O 3.31Å; L130-F167 HydrophobicContact CD1-CD1 3.83Å; L130-F167 HydrophobicContact CD1-CD2 4.11Å; L130-F167 HydrophobicContact CD1-CE1 3.91Å; L130-F167 HydrophobicContact CD1-CE2 4.17Å; L130-F167 HydrophobicContact CD1-CG 3.96Å; L130-F167 HydrophobicContact CD1-CZ 4.09Å; L130-F167 HydrophobicContact CD2-CB 4.16Å; L130-F167 HydrophobicContact CD2-CG 4.28Å; L130-F167 HydrophobicContact CG-CD1 4.2Å; L130-F167 HydrophobicContact CG-CG 4.3Å; L130-L185 HydrophobicContact CD1-CD1 4.46Å; L130-L185 HydrophobicContact CD1-CD2 4.08Å
131F98.1Very high96Very high1 Ų156.9 Ų56.90%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-94.8133.8173.1-65.2-96.5000110.1L99 L101 I129 F142 F145 I146 L153 C165 A166 F167L99-F131 HydrophobicContact CB-CD1 4.21Å; L99-F131 HydrophobicContact CB-CE1 4.44Å; L99-F131 CarbonylContact O-C 3.57Å; L99-F131 WeakPolarHBondContact O-CA 3.32Å; L101-F131 HydrophobicContact CD1-CB 4.18Å; L101-F131 HydrophobicContact CD1-CD1 4.44Å; L101-F131 HydrophobicContact CD1-CG 4.5Å; I129-F131 HydrophobicContact CG2-CD2 3.94Å; I129-F131 HydrophobicContact CG2-CE2 3.41Å; I129-F131 VanDerWaalsContact CG2-CE2 3.41Å; I129-F131 HydrophobicContact CG2-CZ 3.9Å; F131-F142 HydrophobicContact CB-CE2 4.18Å; F131-F142 AromaticContact CD2-CE2 3.46Å; F131-F142 HydrophobicContact CD2-CE2 3.46Å; F131-F142 VanDerWaalsContact CD2-CE2 3.46Å; F131-F142 AromaticContact CD2-CZ 3.46Å; F131-F142 HydrophobicContact CD2-CZ 3.46Å; F131-F142 VanDerWaalsContact CD2-CZ 3.46Å; F131-F142 AromaticContact CE2-CE2 3.93Å; F131-F142 HydrophobicContact CE2-CE2 3.93Å; F131-F142 AromaticContact CE2-CZ 3.84Å; F131-F142 HydrophobicContact CE2-CZ 3.84Å; F131-F142 AromaticContact CG-CE2 3.96Å; F131-F142 HydrophobicContact CG-CE2 3.96Å; F131-F142 HydrophobicContact CG-CZ 4.35Å; F131-F145 HydrophobicContact CE1-CE1 4.43Å; F131-I146 HydrophobicContact CE2-CD1 4.13Å; F131-I146 HydrophobicContact CE2-CG1 4.38Å; F131-L153 HydrophobicContact CE1-CD1 4.23Å; F131-L153 HydrophobicContact CE1-CD2 4.06Å; F131-L153 HydrophobicContact CZ-CD1 3.87Å; F131-L153 HydrophobicContact CZ-CD2 4.01Å; F131-L153 HydrophobicContact CZ-CG 4.43Å; F131-C165 PolarHBondContact N-O 2.98Å; F131-A166 HydrophobicContact CB-CB 4.38Å; F131-A166 CarbonylContact O-C 3.32Å; F131-A166 VanDerWaalsContact O-CA 3.32Å; F131-A166 WeakPolarHBondContact O-CA 3.27Å; F131-F167 PolarHBondContact O-N 3.29Å
132T97.9Very high95.9Very high4 Ų449.7 Ų49.73%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-96.2167.1170.365.30000110.2S19 T24 V98 L99 L101 L130 F167S19-T132 VanDerWaalsContact O-CG2 3.26Å; S19-T132 WeakPolarHBondContact O-CG2 2.91Å; S19-T132 PolarHBondContact O-OG1 2.79Å; T24-T132 WeakPolarHBondContact OG1-CG2 3.33Å; V98-T132 HydrophobicContact CG1-CG2 3.63Å; L99-T132 PolarHBondContact O-N 3.3Å; L99-T132 PolarHBondContact O-OG1 3.16Å; L101-T132 WeakPolarHBondContact CB-O 3.34Å; L101-T132 PolarHBondContact N-O 2.93Å; L130-T132 HydrophobicContact CD2-CG2 3.81Å; T132-F167 CarbonylContact C-O 3.51Å; T132-F167 WeakPolarHBondContact CA-O 3.35Å
133R96.5Very high95.7Very high105 Ų10553.6 Ų53.640%0.39627%0.271SS..  trans68.935.8-176.8-45.9-161.3-179.7-161.70.3114.1L100 E135 E136 F167L100-R133 HydrophobicContact CD2-CG 4.08Å; R133-E135 WeakPolarHBondContact CA-OE2 3.44Å; R133-E135 PolarHBondContact O-N 3.45Å; R133-E135 VanDerWaalsContact O-N 3.1Å; R133-E136 HydrophobicContact CB-CG 4.03Å; R133-E136 WeakPolarHBondContact CD-OE1 3.34Å; R133-E136 IonicContact CZ-OE1 3.16Å; R133-E136 IonicContact NE-OE1 2.61Å; R133-E136 IonicContact NH1-OE1 2.88Å; R133-E136 PolarHBondContact NH1-OE1 2.74Å; R133-E136 WeakPolarHBondContact O-CB 3.33Å; R133-E136 PolarHBondContact O-N 2.93Å; R133-F167 PolarHBondContact N-O 3.4Å; R133-F167 VanDerWaalsContact N-O 3.11Å
134K97.1Very high95.5Very high61 Ų6158.4 Ų58.427%0.26530%0.297SS..G310 helixtrans-52.3-31.5176.4178.9176.1-179171.10112.9E136 L137 A166 F167K134-E136 PolarHBondContact O-N 2.9Å; K134-L137 HydrophobicContact CG-CD1 4.33Å; K134-L137 VanDerWaalsContact O-CB 3.32Å; K134-L137 WeakPolarHBondContact O-CB 3.21Å; K134-L137 PolarHBondContact O-N 3.35Å; K134-A166 HydrophobicContact CB-CB 4.03Å; K134-A166 HydrophobicContact CD-CB 3.88Å; K134-A166 WeakPolarHBondContact CD-O 3.33Å; K134-A166 HydrophobicContact CG-CB 3.99Å; K134-F167 VanDerWaalsContact CB-C 3.49Å; K134-F167 WeakPolarHBondContact CB-O 3.23Å; K134-F167 PolarHBondContact N-O 3.37Å
135E95Very high95.3Very high84 Ų8460.5 Ų60.539%0.39331%0.306SS..G310 helixtrans-60.2-24.2176.868.4-83.8-155.700113.6R133 L137 E138 S168R133-E135 WeakPolarHBondContact CA-OE2 3.44Å; R133-E135 PolarHBondContact O-N 3.45Å; R133-E135 VanDerWaalsContact O-N 3.1Å; E135-L137 PolarHBondContact O-N 2.88Å; E135-E138 PolarHBondContact O-N 2.9Å; E135-S168 WeakPolarHBondContact OE2-CA 3.23Å; E135-S168 VanDerWaalsContact OE2-CB 3.24Å; E135-S168 WeakPolarHBondContact OE2-CB 3.24Å; E135-S168 PolarHBondContact OE2-OG 3.33Å
136E95.1Very high95Very high101 Ų10155.4 Ų55.447%0.47228%0.284SS..G310 helixtrans-72.9-8.3175.9-64-175.2-175.800112.8L101 R133 K134 E138L101-E136 HydrophobicContact CD2-CB 4.22Å; R133-E136 HydrophobicContact CB-CG 4.03Å; R133-E136 WeakPolarHBondContact CD-OE1 3.34Å; R133-E136 IonicContact CZ-OE1 3.16Å; R133-E136 IonicContact NE-OE1 2.61Å; R133-E136 IonicContact NH1-OE1 2.88Å; R133-E136 PolarHBondContact NH1-OE1 2.74Å; R133-E136 WeakPolarHBondContact O-CB 3.33Å; R133-E136 PolarHBondContact O-N 2.93Å; K134-E136 PolarHBondContact O-N 2.9Å; E136-E138 VanDerWaalsContact C-N 3.26Å
137L92.8Very high94.7Very high8 Ų857.3 Ų57.34%0.04230%0.303CS..G310 helixtrans-72.5-18.9169.3-69.6171.1000112.5L101 K134 E135 G139 Q140 F142 F145L101-L137 HydrophobicContact CD1-CD1 4.46Å; L101-L137 HydrophobicContact CD1-CD2 4.27Å; L101-L137 HydrophobicContact CD1-CG 4.35Å; L101-L137 HydrophobicContact CD2-CD2 3.67Å; L101-L137 HydrophobicContact CD2-CG 3.63Å; L101-L137 HydrophobicContact CG-CD2 4.48Å; K134-L137 HydrophobicContact CG-CD1 4.33Å; K134-L137 VanDerWaalsContact O-CB 3.32Å; K134-L137 WeakPolarHBondContact O-CB 3.21Å; K134-L137 PolarHBondContact O-N 3.35Å; E135-L137 PolarHBondContact O-N 2.88Å; L137-G139 PolarHBondContact O-N 2.84Å; L137-Q140 HydrophobicContact CB-CB 4.2Å; L137-Q140 HydrophobicContact CD2-CB 4.35Å; L137-Q140 WeakPolarHBondContact O-CB 3.41Å; L137-Q140 WeakPolarHBondContact O-CG 3.32Å; L137-Q140 PolarHBondContact O-N 3.36Å; L137-F142 HydrophobicContact CD1-CB 4.03Å; L137-F142 HydrophobicContact CD1-CD2 4.39Å; L137-F145 HydrophobicContact CD2-CB 3.92Å; L137-F145 HydrophobicContact CD2-CD2 3.97Å; L137-F145 HydrophobicContact CD2-CG 3.97Å
138E91.4Very high94.3Very high177 Ų17764.2 Ų64.283%0.82734%0.34SS*.THydrogen-bonded Turntrans49.237.2178.5-59.9-173.9164.400114.1E135 E136E135-E138 PolarHBondContact O-N 2.9Å; E136-E138 VanDerWaalsContact C-N 3.26Å
139G87.6Confident94Very high85 Ų8564.9 Ų64.988%0.87635%0.346SS*.THydrogen-bonded Turntrans93.7-3.9-179.300000115.2L137L137-G139 PolarHBondContact O-N 2.84Å
140Q92.3Very high93.7Very high132 Ų13268.8 Ų68.862%0.61737%0.367SS*.  trans-63.9146.5169.8-64.7171.945.300111.1L137 F142L137-Q140 HydrophobicContact CB-CB 4.2Å; L137-Q140 HydrophobicContact CD2-CB 4.35Å; L137-Q140 WeakPolarHBondContact O-CB 3.41Å; L137-Q140 WeakPolarHBondContact O-CG 3.32Å; L137-Q140 PolarHBondContact O-N 3.36Å; Q140-F142 PolarHBondContact O-N 2.72Å
141S93.6Very high93.5Very high47 Ų4775 Ų7533%0.32940%0.404SS..  trans-66.9128.1176.1172.30000110.6H143 D144 F145S141-H143 PolarHBondContact O-N 2.85Å; S141-H143 PolarHBondContact OG-N 2.97Å; S141-D144 VanDerWaalsContact CB-OD2 3.3Å; S141-D144 WeakPolarHBondContact CB-OD2 3.28Å; S141-D144 PolarHBondContact O-N 3.24Å; S141-D144 PolarHBondContact OG-N 2.93Å; S141-F145 PolarHBondContact O-N 2.95Å
142F94.4Very high93.3Very high20 Ų2076.5 Ų76.59%0.08842%0.42CS..Hα-helixtrans-62-32.7172.3173.8-118.6000112.4F131 L137 Q140 F145 I146 C164 A166F131-F142 HydrophobicContact CB-CE2 4.18Å; F131-F142 AromaticContact CD2-CE2 3.46Å; F131-F142 HydrophobicContact CD2-CE2 3.46Å; F131-F142 VanDerWaalsContact CD2-CE2 3.46Å; F131-F142 AromaticContact CD2-CZ 3.46Å; F131-F142 HydrophobicContact CD2-CZ 3.46Å; F131-F142 VanDerWaalsContact CD2-CZ 3.46Å; F131-F142 AromaticContact CE2-CE2 3.93Å; F131-F142 HydrophobicContact CE2-CE2 3.93Å; F131-F142 AromaticContact CE2-CZ 3.84Å; F131-F142 HydrophobicContact CE2-CZ 3.84Å; F131-F142 AromaticContact CG-CE2 3.96Å; F131-F142 HydrophobicContact CG-CE2 3.96Å; F131-F142 HydrophobicContact CG-CZ 4.35Å; L137-F142 HydrophobicContact CD1-CB 4.03Å; L137-F142 HydrophobicContact CD1-CD2 4.39Å; Q140-F142 PolarHBondContact O-N 2.72Å; F142-F145 PolarHBondContact O-N 3.33Å; F142-I146 HydrophobicContact CD1-CD1 4.06Å; F142-I146 HydrophobicContact CD2-CD1 4.14Å; F142-I146 HydrophobicContact CD2-CG1 4.36Å; F142-I146 HydrophobicContact CE1-CD1 3.43Å; F142-I146 VanDerWaalsContact CE1-CD1 3.43Å; F142-I146 HydrophobicContact CE2-CD1 3.51Å; F142-I146 HydrophobicContact CE2-CG1 3.91Å; F142-I146 HydrophobicContact CG-CD1 4.41Å; F142-I146 HydrophobicContact CZ-CD1 3.14Å; F142-I146 HydrophobicContact CZ-CG1 4.07Å; F142-I146 PolarHBondContact O-N 2.94Å; F142-I146 VanDerWaalsContact O-N 3.09Å; F142-C164 HydrophobicContact CE1-CB 3.89Å; F142-C164 HydrophobicContact CZ-CB 3.88Å; F142-A166 HydrophobicContact CD1-CB 4.27Å; F142-A166 HydrophobicContact CD2-CB 3.68Å; F142-A166 HydrophobicContact CE1-CB 4.29Å; F142-A166 HydrophobicContact CE2-CB 3.71Å; F142-A166 HydrophobicContact CG-CB 3.94Å; F142-A166 HydrophobicContact CZ-CB 3.98Å
143H92.6Very high93.2Very high144 Ų14476.5 Ų76.567%0.66742%0.419SS*.Hα-helixtrans-65.8-40.7176.3-71-65.3000111.8S141 I146 A147S141-H143 PolarHBondContact O-N 2.85Å; S141-H143 PolarHBondContact OG-N 2.97Å; H143-I146 PolarHBondContact O-N 3.38Å; H143-A147 WeakPolarHBondContact O-CB 3.43Å; H143-A147 PolarHBondContact O-N 3.27Å
144D93.4Very high93.1Very high102 Ų10275.2 Ų75.255%0.54542%0.417SS..Hα-helixtrans-68.6-40.9178.5-60.5-10.7000110S141 I146 A147 D148S141-D144 VanDerWaalsContact CB-OD2 3.3Å; S141-D144 WeakPolarHBondContact CB-OD2 3.28Å; S141-D144 PolarHBondContact O-N 3.24Å; S141-D144 PolarHBondContact OG-N 2.93Å; D144-I146 VanDerWaalsContact C-N 3.34Å; D144-I146 PolarHBondContact O-N 3.35Å; D144-A147 WeakPolarHBondContact O-CB 3.43Å; D144-A147 PolarHBondContact O-N 2.96Å; D144-D148 PolarHBondContact O-N 2.66Å
145F92.9Very high93.1Very high53 Ų5375.1 Ų75.123%0.23242%0.424CS..Hα-helixtrans-55.3-45.9173.7175.7-93.2000112.7L101 F131 L137 S141 F142 A149L101-F145 HydrophobicContact CD1-CD1 3.83Å; L101-F145 HydrophobicContact CD1-CE1 3.64Å; L101-F145 HydrophobicContact CD1-CE2 4.46Å; L101-F145 HydrophobicContact CD1-CG 4.36Å; L101-F145 HydrophobicContact CD1-CZ 4Å; L101-F145 HydrophobicContact CG-CE1 4.1Å; L101-F145 HydrophobicContact CG-CE2 4.21Å; L101-F145 HydrophobicContact CG-CZ 3.92Å; F131-F145 HydrophobicContact CE1-CE1 4.43Å; L137-F145 HydrophobicContact CD2-CB 3.92Å; L137-F145 HydrophobicContact CD2-CD2 3.97Å; L137-F145 HydrophobicContact CD2-CG 3.97Å; S141-F145 PolarHBondContact O-N 2.95Å; F142-F145 PolarHBondContact O-N 3.33Å; F145-A149 PolarHBondContact O-N 3.39Å
146I91.9Very high93.1Very high22 Ų2271.2 Ų71.211%0.11341%0.406CS..Hα-helixtrans-71.1-34.8176.1-65.6169.5000111.4F131 F142 H143 D144 D148 A149 V157 C164F131-I146 HydrophobicContact CE2-CD1 4.13Å; F131-I146 HydrophobicContact CE2-CG1 4.38Å; F142-I146 HydrophobicContact CD1-CD1 4.06Å; F142-I146 HydrophobicContact CD2-CD1 4.14Å; F142-I146 HydrophobicContact CD2-CG1 4.36Å; F142-I146 HydrophobicContact CE1-CD1 3.43Å; F142-I146 VanDerWaalsContact CE1-CD1 3.43Å; F142-I146 HydrophobicContact CE2-CD1 3.51Å; F142-I146 HydrophobicContact CE2-CG1 3.91Å; F142-I146 HydrophobicContact CG-CD1 4.41Å; F142-I146 HydrophobicContact CZ-CD1 3.14Å; F142-I146 HydrophobicContact CZ-CG1 4.07Å; F142-I146 PolarHBondContact O-N 2.94Å; F142-I146 VanDerWaalsContact O-N 3.09Å; H143-I146 PolarHBondContact O-N 3.38Å; D144-I146 VanDerWaalsContact C-N 3.34Å; D144-I146 PolarHBondContact O-N 3.35Å; I146-D148 PolarHBondContact O-N 3.2Å; I146-A149 WeakPolarHBondContact O-CB 3.07Å; I146-A149 PolarHBondContact O-N 2.98Å; I146-A149 VanDerWaalsContact O-N 3.14Å; I146-V157 HydrophobicContact CG2-CG1 4.23Å; I146-V157 HydrophobicContact CG2-CG2 4.25Å; I146-C164 HydrophobicContact CD1-CB 3.56Å
147A91.1Very high93.2Very high58 Ų5866.6 Ų66.648%0.47939%0.385SS..Hα-helixtrans-63.2-33.8178.300000111.9H143 D144 A149 K154H143-A147 WeakPolarHBondContact O-CB 3.43Å; H143-A147 PolarHBondContact O-N 3.27Å; D144-A147 WeakPolarHBondContact O-CB 3.43Å; D144-A147 PolarHBondContact O-N 2.96Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-K154 WeakPolarHBondContact O-CE 3.49Å; A147-K154 PolarHBondContact O-NZ 3.47Å
148D92Very high93.4Very high144 Ų14473.5 Ų73.577%0.7741%0.414SS*.THydrogen-bonded Turntrans-88.12177.1-71.8-19.8000113.9D144 I146D144-D148 PolarHBondContact O-N 2.66Å; I146-D148 PolarHBondContact O-N 3.2Å
149A90.5Very high93.6Very high14 Ų1469.1 Ų69.112%0.11639%0.394CS..  trans-60.2158-178.800000114.1F145 I146 A147 L153 K154F145-A149 PolarHBondContact O-N 3.39Å; I146-A149 WeakPolarHBondContact O-CB 3.07Å; I146-A149 PolarHBondContact O-N 2.98Å; I146-A149 VanDerWaalsContact O-N 3.14Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A149-L153 HydrophobicContact CB-CB 4.06Å; A149-L153 HydrophobicContact CB-CD2 3.72Å; A149-L153 HydrophobicContact CB-CG 3.97Å; A149-K154 HydrophobicContact CB-CG 4.13Å; A149-K154 WeakPolarHBondContact O-CD 3.22Å; A149-K154 WeakPolarHBondContact O-CE 3.19Å; A149-K154 PolarHBondContact O-NZ 2.87Å
150D93.1Very high94.1Very high83 Ų8365 Ų6544%0.44435%0.352SS..  trans-67.2170.3174.876.219000112.8G152 L153 K154D150-G152 VanDerWaalsContact C-N 3.29Å; D150-G152 PolarHBondContact O-N 2.95Å; D150-G152 PolarHBondContact OD1-N 2.56Å; D150-G152 VanDerWaalsContact OD1-N 3.08Å; D150-L153 PolarHBondContact O-N 3.02Å; D150-L153 WeakPolarHBondContact OD1-CB 3.45Å; D150-L153 PolarHBondContact OD1-N 3.14Å; D150-K154 WeakPolarHBondContact O-CB 3.44Å; D150-K154 WeakPolarHBondContact O-CG 3.3Å; D150-K154 PolarHBondContact O-N 3.17Å
151V94.6Very high94.3Very high130 Ų13060.6 Ų60.679%0.78834%0.341SS*.Hα-helixtrans-61.5-38.2-177179.90000111.8S155V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 3.24Å
152G94.2Very high94.4Very high32 Ų3263.9 Ų63.933%0.3336%0.355SS..Hα-helixtrans-66.9-47.5-178.400000111.7D150 S155 I156D150-G152 VanDerWaalsContact C-N 3.29Å; D150-G152 PolarHBondContact O-N 2.95Å; D150-G152 PolarHBondContact OD1-N 2.56Å; D150-G152 VanDerWaalsContact OD1-N 3.08Å; G152-S155 WeakPolarHBondContact O-CB 3.27Å; G152-S155 PolarHBondContact O-N 3.47Å; G152-I156 PolarHBondContact O-N 3.42Å; G152-I156 VanDerWaalsContact O-N 3.15Å
153L94.9Very high94.6Very high4 Ų465 Ų652%0.02136%0.359CS..Hα-helixtrans-66.3-44.2178.2-17656.3000111.2L99 F131 A149 D150 S155 I156 V157L99-L153 HydrophobicContact CD2-CD1 4.47Å; F131-L153 HydrophobicContact CE1-CD1 4.23Å; F131-L153 HydrophobicContact CE1-CD2 4.06Å; F131-L153 HydrophobicContact CZ-CD1 3.87Å; F131-L153 HydrophobicContact CZ-CD2 4.01Å; F131-L153 HydrophobicContact CZ-CG 4.43Å; A149-L153 HydrophobicContact CB-CB 4.06Å; A149-L153 HydrophobicContact CB-CD2 3.72Å; A149-L153 HydrophobicContact CB-CG 3.97Å; D150-L153 PolarHBondContact O-N 3.02Å; D150-L153 WeakPolarHBondContact OD1-CB 3.45Å; D150-L153 PolarHBondContact OD1-N 3.14Å; L153-S155 PolarHBondContact O-N 3.28Å; L153-I156 HydrophobicContact CD1-CG2 3.92Å; L153-I156 WeakPolarHBondContact O-CG2 3.36Å; L153-I156 PolarHBondContact O-N 2.75Å; L153-V157 HydrophobicContact CD1-CG2 4.17Å; L153-V157 HydrophobicContact CG-CG2 4.34Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.48Å
154K95Very high94.8Very high78 Ų7859 Ų5934%0.33933%0.333SS..Hα-helixtrans-58.1-36.8173.4-78.4175.3173153.80112.6A147 A149 D150 K158A147-K154 WeakPolarHBondContact O-CE 3.49Å; A147-K154 PolarHBondContact O-NZ 3.47Å; A149-K154 HydrophobicContact CB-CG 4.13Å; A149-K154 WeakPolarHBondContact O-CD 3.22Å; A149-K154 WeakPolarHBondContact O-CE 3.19Å; A149-K154 PolarHBondContact O-NZ 2.87Å; D150-K154 WeakPolarHBondContact O-CB 3.44Å; D150-K154 WeakPolarHBondContact O-CG 3.3Å; D150-K154 PolarHBondContact O-N 3.17Å; K154-K158 WeakPolarHBondContact O-CB 3.22Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.3Å; K154-K158 PolarHBondContact O-N 3.32Å; K154-K158 VanDerWaalsContact O-N 3.09Å
155S96Very high95Very high60 Ų6054.2 Ų54.242%0.4231%0.307SS..Hα-helixtrans-64-52.3177.5-172.20000111.2V151 G152 L153 V157 K158 E159V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 3.24Å; G152-S155 WeakPolarHBondContact O-CB 3.27Å; G152-S155 PolarHBondContact O-N 3.47Å; L153-S155 PolarHBondContact O-N 3.28Å; S155-V157 VanDerWaalsContact C-N 3.34Å; S155-V157 PolarHBondContact O-N 3.08Å; S155-K158 WeakPolarHBondContact O-CB 3.24Å; S155-K158 PolarHBondContact O-N 2.91Å; S155-E159 WeakPolarHBondContact O-CG 3.39Å; S155-E159 PolarHBondContact O-N 2.9Å
156I96.7Very high95.2Very high2 Ų251.7 Ų51.71%0.0130%0.296CS..Hα-helixtrans-66.5-37-178.4-172.857.3000111.9L97 Y104 V112 M124 I129 G152 L153 K158 E159 C160L97-I156 HydrophobicContact CD2-CG1 4.36Å; Y104-I156 HydrophobicContact CD1-CG2 4.03Å; Y104-I156 HydrophobicContact CD2-CG2 4.34Å; Y104-I156 HydrophobicContact CE1-CB 3.99Å; Y104-I156 HydrophobicContact CE1-CG2 3.87Å; Y104-I156 HydrophobicContact CE2-CG1 4.45Å; Y104-I156 HydrophobicContact CE2-CG2 4.2Å; Y104-I156 HydrophobicContact CG-CG2 4.26Å; V112-I156 HydrophobicContact CB-CD1 4.44Å; V112-I156 HydrophobicContact CG1-CD1 3.73Å; V112-I156 HydrophobicContact CG2-CD1 3.99Å; V112-I156 HydrophobicContact CG2-CG1 4.41Å; M124-I156 HydrophobicContact CE-CD1 3.6Å; I129-I156 HydrophobicContact CD1-CG1 4.12Å; I129-I156 HydrophobicContact CD1-CG2 4.2Å; G152-I156 PolarHBondContact O-N 3.42Å; G152-I156 VanDerWaalsContact O-N 3.15Å; L153-I156 HydrophobicContact CD1-CG2 3.92Å; L153-I156 WeakPolarHBondContact O-CG2 3.36Å; L153-I156 PolarHBondContact O-N 2.75Å; I156-K158 VanDerWaalsContact C-N 3.31Å; I156-K158 PolarHBondContact O-N 2.88Å; I156-E159 HydrophobicContact CD1-CB 4.39Å; I156-E159 PolarHBondContact O-N 3.47Å; I156-C160 WeakPolarHBondContact O-CB 3.46Å; I156-C160 PolarHBondContact O-N 2.96Å; I156-C160 PolarHBondContact O-SG 3.31Å; I156-C160 VanDerWaalsContact O-SG 3.41Å
157V96.1Very high95.5Very high4 Ų450.6 Ų50.62%0.02429%0.291CS..Hα-helixtrans-58.3-43.6173.4170.40000111.2I129 I146 L153 S155 C160 G161 N162I129-V157 HydrophobicContact CD1-CB 4.39Å; I129-V157 HydrophobicContact CD1-CG2 3.85Å; I146-V157 HydrophobicContact CG2-CG1 4.23Å; I146-V157 HydrophobicContact CG2-CG2 4.25Å; L153-V157 HydrophobicContact CD1-CG2 4.17Å; L153-V157 HydrophobicContact CG-CG2 4.34Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.48Å; S155-V157 VanDerWaalsContact C-N 3.34Å; S155-V157 PolarHBondContact O-N 3.08Å; V157-C160 CarbonylContact O-C 3.51Å; V157-C160 VanDerWaalsContact O-C 3.32Å; V157-C160 PolarHBondContact O-N 3.11Å; V157-G161 PolarHBondContact O-N 3.47Å; V157-N162 HydrophobicContact CG1-CB 4.46Å; V157-N162 PolarHBondContact O-N 2.97Å
158K96.5Very high95.9Very high152 Ų15247.9 Ų47.966%0.66127%0.268SS*.Hα-helixtrans-65.2-42.8175.5-76.6174.3-178.9-179.60112.6K154 S155 I156 C160 G161K154-K158 WeakPolarHBondContact O-CB 3.22Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.3Å; K154-K158 PolarHBondContact O-N 3.32Å; K154-K158 VanDerWaalsContact O-N 3.09Å; S155-K158 WeakPolarHBondContact O-CB 3.24Å; S155-K158 PolarHBondContact O-N 2.91Å; I156-K158 VanDerWaalsContact C-N 3.31Å; I156-K158 PolarHBondContact O-N 2.88Å; K158-C160 PolarHBondContact O-N 3.05Å; K158-G161 WeakPolarHBondContact O-CA 3.39Å; K158-G161 PolarHBondContact O-N 3.39Å
159E96.7Very high96.2Very high85 Ų8542.4 Ų42.440%0.39724%0.239SC..Hα-helixtrans-61.8-33.8175.8-69.1-167.8-108.100112.1K116 M124 S155 I156 G161K116-E159 VanDerWaalsContact CE-OE2 3.23Å; K116-E159 WeakPolarHBondContact CE-OE2 3.32Å; K116-E159 VanDerWaalsContact NZ-CD 3.25Å; K116-E159 IonicContact NZ-OE1 3.67Å; K116-E159 PolarHBondContact NZ-OE1 3.22Å; K116-E159 VanDerWaalsContact NZ-OE1 3.16Å; K116-E159 IonicContact NZ-OE2 2.72Å; K116-E159 PolarHBondContact NZ-OE2 3.34Å; M124-E159 HydrophobicContact CE-CB 4.32Å; S155-E159 WeakPolarHBondContact O-CG 3.39Å; S155-E159 PolarHBondContact O-N 2.9Å; I156-E159 HydrophobicContact CD1-CB 4.39Å; I156-E159 PolarHBondContact O-N 3.47Å; E159-G161 PolarHBondContact O-N 2.69Å
160C97.3Very high96.4Very high0 Ų043.2 Ų43.20%024%0.244CC..THydrogen-bonded Turntrans-85.218.6171.3-62.90000113.1I129 I156 V157 K158 N162 R163I129-C160 HydrophobicContact CD1-CB 3.98Å; I129-C160 HydrophobicContact CG1-CB 3.94Å; I156-C160 WeakPolarHBondContact O-CB 3.46Å; I156-C160 PolarHBondContact O-N 2.96Å; I156-C160 PolarHBondContact O-SG 3.31Å; I156-C160 VanDerWaalsContact O-SG 3.41Å; V157-C160 CarbonylContact O-C 3.51Å; V157-C160 VanDerWaalsContact O-C 3.32Å; V157-C160 PolarHBondContact O-N 3.11Å; K158-C160 PolarHBondContact O-N 3.05Å; C160-N162 VanDerWaalsContact C-N 3.28Å; C160-N162 PolarHBondContact O-N 3.38Å; C160-R163 WeakPolarHBondContact O-CB 3.23Å; C160-R163 WeakPolarHBondContact O-CG 3.33Å; C160-R163 PolarHBondContact O-N 3.42Å; C160-R163 PolarHBondContact O-NE 3.34Å; C160-R163 PolarHBondContact O-NH1 3.08Å; C160-R163 PolarHBondContact O-NH2 3.35Å
161G96.6Very high96.5Very high38 Ų3848 Ų4839%0.39226%0.261SS..THydrogen-bonded Turntrans55.935.6174.400000115.1V157 K158 E159 R163V157-G161 PolarHBondContact O-N 3.47Å; K158-G161 WeakPolarHBondContact O-CA 3.39Å; K158-G161 PolarHBondContact O-N 3.39Å; E159-G161 PolarHBondContact O-N 2.69Å; G161-R163 PolarHBondContact O-N 2.72Å
162N96.7Very high96.6Very high116 Ų11651.3 Ų51.362%0.6226%0.264SS*.THydrogen-bonded Turntrans5823-176.3-55.2-69.8000114.5V157 C160 C164V157-N162 HydrophobicContact CG1-CB 4.46Å; V157-N162 PolarHBondContact O-N 2.97Å; C160-N162 VanDerWaalsContact C-N 3.28Å; C160-N162 PolarHBondContact O-N 3.38Å; N162-C164 PolarHBondContact O-N 3.24Å
163R98Very high96.7Very high44 Ų4450.7 Ų50.717%0.16625%0.254CS..  trans-82.594.1175.6-63.5176.3-67.9-841.9109.5M124 K125 M127 V128 I129 C160 G161 L188 M192M124-R163 PolarHBondContact O-NH2 3.07Å; K125-R163 PolarHBondContact O-NH2 2.86Å; M127-R163 PolarHBondContact O-NE 3.01Å; M127-R163 PolarHBondContact O-NH2 3.37Å; V128-R163 HydrophobicContact CG1-CB 4.36Å; V128-R163 HydrophobicContact CG2-CB 4.25Å; I129-R163 PolarHBondContact N-O 2.77Å; C160-R163 WeakPolarHBondContact O-CB 3.23Å; C160-R163 WeakPolarHBondContact O-CG 3.33Å; C160-R163 PolarHBondContact O-N 3.42Å; C160-R163 PolarHBondContact O-NE 3.34Å; C160-R163 PolarHBondContact O-NH1 3.08Å; C160-R163 PolarHBondContact O-NH2 3.35Å; G161-R163 PolarHBondContact O-N 2.72Å; R163-L188 HydrophobicContact CB-CD1 4.13Å; R163-L188 HydrophobicContact CB-CD2 4.28Å; R163-L188 HydrophobicContact CB-CG 4.35Å; R163-L188 HydrophobicContact CG-CD1 4.11Å; R163-M192 VanDerWaalsContact CD-SD 3.57Å; R163-M192 PolarHBondContact NE-SD 2.54Å; R163-M192 VanDerWaalsContact NE-SD 3.41Å
164C97.2Very high96.8Very high19 Ų1953.6 Ų53.613%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-130.7141.5-178.7-65.30000110.5I129 F142 I146 N162I129-C164 CarbonylContact O-C 3.56Å; I129-C164 VanDerWaalsContact O-CA 3.26Å; I129-C164 WeakPolarHBondContact O-CA 3.36Å; F142-C164 HydrophobicContact CE1-CB 3.89Å; F142-C164 HydrophobicContact CZ-CB 3.88Å; I146-C164 HydrophobicContact CD1-CB 3.56Å; N162-C164 PolarHBondContact O-N 3.24Å
165C97.4Very high97Very high0 Ų057.2 Ų57.20%029%0.29CS..EExtended strand (participates in β ladder)trans-140.2164.9167.664.30000110.2I129 L130 F131 E184 L188I129-C165 PolarHBondContact O-N 3.01Å; L130-C165 WeakPolarHBondContact CA-O 3.31Å; F131-C165 PolarHBondContact N-O 2.98Å; C165-E184 HydrophobicContact CB-CG 4.5Å; C165-L188 HydrophobicContact CB-CD2 4.29Å
166A97.6Very high97.1Very high0 Ų057.6 Ų57.60%030%0.297CS..EExtended strand (participates in β ladder)trans-130.1137179.200000111.5F131 K134 F142F131-A166 HydrophobicContact CB-CB 4.38Å; F131-A166 CarbonylContact O-C 3.32Å; F131-A166 VanDerWaalsContact O-CA 3.32Å; F131-A166 WeakPolarHBondContact O-CA 3.27Å; K134-A166 HydrophobicContact CB-CB 4.03Å; K134-A166 HydrophobicContact CD-CB 3.88Å; K134-A166 WeakPolarHBondContact CD-O 3.33Å; K134-A166 HydrophobicContact CG-CB 3.99Å; F142-A166 HydrophobicContact CD1-CB 4.27Å; F142-A166 HydrophobicContact CD2-CB 3.68Å; F142-A166 HydrophobicContact CE1-CB 4.29Å; F142-A166 HydrophobicContact CE2-CB 3.71Å; F142-A166 HydrophobicContact CG-CB 3.94Å; F142-A166 HydrophobicContact CZ-CB 3.98Å
167F98.4Very high97.1Very high0 Ų061.5 Ų61.50%032%0.316CS..EExtended strand (participates in β ladder)trans-120138.7-176.4-87.637.5000110.9T24 T27 I28 L130 F131 T132 R133 K134 Q181 V182 L185T24-F167 HydrophobicContact CG2-CD2 3.96Å; T24-F167 HydrophobicContact CG2-CE2 4.18Å; T27-F167 HydrophobicContact CG2-CD2 4.05Å; T27-F167 HydrophobicContact CG2-CE2 4.1Å; I28-F167 HydrophobicContact CG1-CE2 3.96Å; I28-F167 HydrophobicContact CG1-CZ 4.49Å; L130-F167 HydrophobicContact CD1-CD1 3.83Å; L130-F167 HydrophobicContact CD1-CD2 4.11Å; L130-F167 HydrophobicContact CD1-CE1 3.91Å; L130-F167 HydrophobicContact CD1-CE2 4.17Å; L130-F167 HydrophobicContact CD1-CG 3.96Å; L130-F167 HydrophobicContact CD1-CZ 4.09Å; L130-F167 HydrophobicContact CD2-CB 4.16Å; L130-F167 HydrophobicContact CD2-CG 4.28Å; L130-F167 HydrophobicContact CG-CD1 4.2Å; L130-F167 HydrophobicContact CG-CG 4.3Å; F131-F167 PolarHBondContact O-N 3.29Å; T132-F167 CarbonylContact C-O 3.51Å; T132-F167 WeakPolarHBondContact CA-O 3.35Å; R133-F167 PolarHBondContact N-O 3.4Å; R133-F167 VanDerWaalsContact N-O 3.11Å; K134-F167 VanDerWaalsContact CB-C 3.49Å; K134-F167 WeakPolarHBondContact CB-O 3.23Å; K134-F167 PolarHBondContact N-O 3.37Å; F167-Q181 VanDerWaalsContact CA-OE1 3.29Å; F167-Q181 HydrophobicContact CD1-CB 3.85Å; F167-Q181 HydrophobicContact CE1-CB 3.71Å; F167-Q181 WeakPolarHBondContact CE1-O 3.39Å; F167-Q181 HydrophobicContact CE2-CB 4.5Å; F167-Q181 HydrophobicContact CG-CB 4.3Å; F167-Q181 HydrophobicContact CZ-CB 4.05Å; F167-Q181 VanDerWaalsContact CZ-O 3.29Å; F167-Q181 WeakPolarHBondContact CZ-O 3.05Å; F167-V182 HydrophobicContact CE2-CG2 4.34Å; F167-V182 HydrophobicContact CZ-CG2 4.41Å; F167-L185 HydrophobicContact CE1-CB 3.93Å; F167-L185 HydrophobicContact CE1-CD2 4.45Å; F167-L185 HydrophobicContact CE2-CD2 4.46Å; F167-L185 HydrophobicContact CZ-CB 3.8Å; F167-L185 HydrophobicContact CZ-CD2 3.81Å; F167-L185 HydrophobicContact CZ-CG 4.44Å
168S98.1Very high97.2Very high0 Ų063.3 Ų63.30%032%0.323CS..  trans-106.9104.9161.2175.60000108.9E135 S170 T173E135-S168 WeakPolarHBondContact OE2-CA 3.23Å; E135-S168 VanDerWaalsContact OE2-CB 3.24Å; E135-S168 WeakPolarHBondContact OE2-CB 3.24Å; E135-S168 PolarHBondContact OE2-OG 3.33Å; S168-S170 PolarHBondContact O-N 3.21Å; S168-T173 WeakPolarHBondContact CB-OG1 3.49Å; S168-T173 PolarHBondContact OG-OG1 3.22Å
169N98Very high97.3Very high29 Ų2958.5 Ų58.516%0.15530%0.303CS..  trans-84.71.1177.6-60.3-46.7000112.3A23 T24 T27 K178A23-N169 HydrophobicContact CB-CB 3.83Å; A23-N169 PolarHBondContact O-OD1 3.41Å; T24-N169 PolarHBondContact N-ND2 3.44Å; T24-N169 PolarHBondContact OG1-ND2 3.36Å; T27-N169 WeakPolarHBondContact CB-OD1 3.35Å; T27-N169 PolarHBondContact OG1-OD1 3.34Å; N169-K178 PolarHBondContact O-NZ 2.86Å
170S96.1Very high97.4Very high32 Ų3258.2 Ų58.222%0.22431%0.31CS..  trans-58.1147.2-174.8-1780000112.9S168 K172 T173 K178S168-S170 PolarHBondContact O-N 3.21Å; S170-K172 PolarHBondContact O-N 2.88Å; S170-K172 PolarHBondContact OG-N 3.3Å; S170-K172 VanDerWaalsContact OG-N 3.15Å; S170-T173 PolarHBondContact O-N 3.39Å; S170-K178 WeakPolarHBondContact O-CE 3.32Å; S170-K178 PolarHBondContact O-NZ 3.39Å
171K94.7Very high97.4Very high183 Ų18358.3 Ų58.380%0.79631%0.311SS*.THydrogen-bonded Turntrans-66.1-19170-66-172.5177.2-171.30112.4
172K96.3Very high97.5Very high200 Ų20056.5 Ų56.587%0.8729%0.292SS*.THydrogen-bonded Turntrans-81.1-18176.5-59.7-178.9-178.11790112.9S170S170-K172 PolarHBondContact O-N 2.88Å; S170-K172 PolarHBondContact OG-N 3.3Å; S170-K172 VanDerWaalsContact OG-N 3.15Å
173T96.5Very high97.6Very high19 Ų1953.3 Ų53.312%0.11727%0.273CS..SBendtrans-80.1132.2177.6-68.60000110S168 S170 E177 K178S168-T173 WeakPolarHBondContact CB-OG1 3.49Å; S168-T173 PolarHBondContact OG-OG1 3.22Å; S170-T173 PolarHBondContact O-N 3.39Å; T173-E177 HydrophobicContact CG2-CB 3.99Å; T173-E177 HydrophobicContact CG2-CG 4.04Å; T173-K178 HydrophobicContact CG2-CG 3.91Å
174S97.5Very high97.7Very high64 Ų6454.6 Ų54.645%0.44828%0.281SS..  trans-65154.1-174.676.70000112.1A176 E177 K178S174-A176 VanDerWaalsContact C-N 3.3Å; S174-A176 PolarHBondContact O-N 3.3Å; S174-E177 PolarHBondContact O-N 2.9Å; S174-E177 VanDerWaalsContact OG-CB 3.28Å; S174-E177 WeakPolarHBondContact OG-CB 3.44Å; S174-E177 PolarHBondContact OG-N 2.72Å; S174-E177 VanDerWaalsContact OG-N 3.15Å; S174-K178 PolarHBondContact O-N 3.22Å
175K97.7Very high97.7Very high154 Ų15453.8 Ų53.867%0.6728%0.276SS*.Hα-helixtrans-60.2-41.1176.6-170.4175-176.2175.60111.9E177 K178 E179K175-E177 PolarHBondContact O-N 3.2Å; K175-K178 PolarHBondContact O-N 3.43Å; K175-E179 WeakPolarHBondContact O-CG 3.47Å; K175-E179 PolarHBondContact O-N 3.47Å
176A98.1Very high97.8Very high69 Ų6953.8 Ų53.857%0.5728%0.276SS*.Hα-helixtrans-62.1-43.9178.500000111.8S174 K178 E179 S180S174-A176 VanDerWaalsContact C-N 3.3Å; S174-A176 PolarHBondContact O-N 3.3Å; A176-K178 VanDerWaalsContact C-N 3.35Å; A176-K178 PolarHBondContact O-N 3.37Å; A176-E179 PolarHBondContact O-N 3.39Å; A176-S180 PolarHBondContact O-N 2.58Å; A176-S180 PolarHBondContact O-OG 2.93Å
177E97.7Very high97.8Very high84 Ų8457.5 Ų57.539%0.39329%0.293SS..Hα-helixtrans-64.4-39.7177.2-169.6-173.6157.300112T173 S174 K175 S180 Q181T173-E177 HydrophobicContact CG2-CB 3.99Å; T173-E177 HydrophobicContact CG2-CG 4.04Å; S174-E177 PolarHBondContact O-N 2.9Å; S174-E177 VanDerWaalsContact OG-CB 3.28Å; S174-E177 WeakPolarHBondContact OG-CB 3.44Å; S174-E177 PolarHBondContact OG-N 2.72Å; S174-E177 VanDerWaalsContact OG-N 3.15Å; K175-E177 PolarHBondContact O-N 3.2Å; E177-S180 PolarHBondContact O-N 2.82Å; E177-Q181 VanDerWaalsContact O-CG 3.31Å; E177-Q181 WeakPolarHBondContact O-CG 3.24Å; E177-Q181 PolarHBondContact O-N 2.85Å
178K98.5Very high97.8Very high41 Ų4159.1 Ų59.118%0.17830%0.302CS..Hα-helixtrans-60.7-47.2173.1-74.7-175.8-178.4-169.60112T27 N169 S170 T173 S174 K175 A176 S180 Q181 V182T27-K178 HydrophobicContact CG2-CB 3.93Å; T27-K178 HydrophobicContact CG2-CD 4.16Å; T27-K178 HydrophobicContact CG2-CG 3.99Å; N169-K178 PolarHBondContact O-NZ 2.86Å; S170-K178 WeakPolarHBondContact O-CE 3.32Å; S170-K178 PolarHBondContact O-NZ 3.39Å; T173-K178 HydrophobicContact CG2-CG 3.91Å; S174-K178 PolarHBondContact O-N 3.22Å; K175-K178 PolarHBondContact O-N 3.43Å; A176-K178 VanDerWaalsContact C-N 3.35Å; A176-K178 PolarHBondContact O-N 3.37Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.27Å; K178-Q181 WeakPolarHBondContact O-CB 3.43Å; K178-Q181 PolarHBondContact O-N 2.9Å; K178-Q181 VanDerWaalsContact O-N 3.15Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.48Å
179E98.3Very high97.8Very high52 Ų5259.1 Ų59.124%0.24330%0.302CS..Hα-helixtrans-62-36.6177-70.3-67.9138.300112.1R52 K175 A176 V182 Q183R52-E179 IonicContact CZ-OE1 3.53Å; R52-E179 IonicContact CZ-OE2 3.77Å; R52-E179 IonicContact NH1-OE1 3.5Å; R52-E179 PolarHBondContact NH1-OE1 2.96Å; R52-E179 VanDerWaalsContact NH1-OE1 3.08Å; R52-E179 IonicContact NH1-OE2 2.79Å; R52-E179 PolarHBondContact NH1-OE2 3.12Å; R52-E179 IonicContact NH2-OE1 2.7Å; R52-E179 PolarHBondContact NH2-OE1 3.16Å; R52-E179 IonicContact NH2-OE2 3.86Å; R52-E179 PolarHBondContact NH2-OE2 2.95Å; K175-E179 WeakPolarHBondContact O-CG 3.47Å; K175-E179 PolarHBondContact O-N 3.47Å; A176-E179 PolarHBondContact O-N 3.39Å; E179-V182 PolarHBondContact O-N 2.76Å; E179-Q183 PolarHBondContact O-N 3.17Å
180S98.4Very high97.8Very high78 Ų7859.7 Ų59.755%0.54530%0.303SS..Hα-helixtrans-65.1-38.1173-60.60000112.9A176 E177 K178 V182 Q183 E184A176-S180 PolarHBondContact O-N 2.58Å; A176-S180 PolarHBondContact O-OG 2.93Å; E177-S180 PolarHBondContact O-N 2.82Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.27Å; S180-V182 VanDerWaalsContact C-N 3.34Å; S180-Q183 WeakPolarHBondContact O-CB 3.45Å; S180-Q183 PolarHBondContact O-N 3.33Å; S180-E184 PolarHBondContact O-N 3.31Å
181Q98.4Very high97.9Very high3 Ų363.9 Ų63.91%0.01432%0.318CS..Hα-helixtrans-64.9-39.1173.8-67.9167.519.200111.3F167 E177 K178 E184 L185F167-Q181 VanDerWaalsContact CA-OE1 3.29Å; F167-Q181 HydrophobicContact CD1-CB 3.85Å; F167-Q181 HydrophobicContact CE1-CB 3.71Å; F167-Q181 WeakPolarHBondContact CE1-O 3.39Å; F167-Q181 HydrophobicContact CE2-CB 4.5Å; F167-Q181 HydrophobicContact CG-CB 4.3Å; F167-Q181 HydrophobicContact CZ-CB 4.05Å; F167-Q181 VanDerWaalsContact CZ-O 3.29Å; F167-Q181 WeakPolarHBondContact CZ-O 3.05Å; E177-Q181 VanDerWaalsContact O-CG 3.31Å; E177-Q181 WeakPolarHBondContact O-CG 3.24Å; E177-Q181 PolarHBondContact O-N 2.85Å; K178-Q181 WeakPolarHBondContact O-CB 3.43Å; K178-Q181 PolarHBondContact O-N 2.9Å; K178-Q181 VanDerWaalsContact O-N 3.15Å; Q181-E184 WeakPolarHBondContact O-CB 3.37Å; Q181-E184 PolarHBondContact O-N 2.61Å; Q181-L185 PolarHBondContact O-N 3.07Å
182V98.7Very high98.1Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-63.6-44.9174.1177.60000110.9T27 I28 L59 F167 K178 E179 S180 E184 L185 V186T27-V182 HydrophobicContact CG2-CG2 4.26Å; T27-V182 WeakPolarHBondContact O-CG2 3.26Å; I28-V182 HydrophobicContact CG1-CG2 4.44Å; L59-V182 HydrophobicContact CD1-CG1 4.48Å; F167-V182 HydrophobicContact CE2-CG2 4.34Å; F167-V182 HydrophobicContact CZ-CG2 4.41Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.48Å; E179-V182 PolarHBondContact O-N 2.76Å; S180-V182 VanDerWaalsContact C-N 3.34Å; V182-E184 VanDerWaalsContact C-N 3.34Å; V182-E184 PolarHBondContact O-N 3.13Å; V182-L185 PolarHBondContact O-N 3.27Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 2.86Å
183Q98.6Very high98.1Very high48 Ų4846.8 Ų46.822%0.22425%0.245CC..Hα-helixtrans-55.9-47.7172.9-177.778.836.200111.8W54 E179 S180 L185 V186 E187W54-Q183 VanDerWaalsContact CH2-CD 3.45Å; W54-Q183 HydrophobicContact CH2-CG 4.45Å; W54-Q183 HydrophobicContact CZ2-CB 4Å; W54-Q183 HydrophobicContact CZ2-CG 4.34Å; E179-Q183 PolarHBondContact O-N 3.17Å; S180-Q183 WeakPolarHBondContact O-CB 3.45Å; S180-Q183 PolarHBondContact O-N 3.33Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.02Å; Q183-V186 PolarHBondContact O-N 3.48Å; Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.45Å; Q183-E187 PolarHBondContact NE2-OE1 3.17Å; Q183-E187 WeakPolarHBondContact O-CB 2.79Å; Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.24Å
184E98.5Very high98.1Very high72 Ų7252.3 Ų52.334%0.33627%0.269SS..Hα-helixtrans-56.8-46.1177.8-175-171.6165.600111.5C165 S180 Q181 V182 L188C165-E184 HydrophobicContact CB-CG 4.5Å; S180-E184 PolarHBondContact O-N 3.31Å; Q181-E184 WeakPolarHBondContact O-CB 3.37Å; Q181-E184 PolarHBondContact O-N 2.61Å; V182-E184 VanDerWaalsContact C-N 3.34Å; V182-E184 PolarHBondContact O-N 3.13Å; E184-L188 VanDerWaalsContact O-CB 3.27Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 PolarHBondContact O-N 2.79Å
185L98.7Very high98.1Very high1 Ų154.6 Ų54.61%0.00528%0.284CS..Hα-helixtrans-64.1-47.8177175.163.4000111.9I28 V96 V128 L130 F167 Q181 V182 Q183 L188 I189I28-L185 HydrophobicContact CD1-CD2 3.62Å; I28-L185 HydrophobicContact CG1-CD2 4.08Å; V96-L185 HydrophobicContact CG2-CD1 4.48Å; V128-L185 HydrophobicContact CG1-CD1 4.27Å; L130-L185 HydrophobicContact CD1-CD1 4.46Å; L130-L185 HydrophobicContact CD1-CD2 4.08Å; F167-L185 HydrophobicContact CE1-CB 3.93Å; F167-L185 HydrophobicContact CE1-CD2 4.45Å; F167-L185 HydrophobicContact CE2-CD2 4.46Å; F167-L185 HydrophobicContact CZ-CB 3.8Å; F167-L185 HydrophobicContact CZ-CD2 3.81Å; F167-L185 HydrophobicContact CZ-CG 4.44Å; Q181-L185 PolarHBondContact O-N 3.07Å; V182-L185 PolarHBondContact O-N 3.27Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.02Å; L185-L188 WeakPolarHBondContact O-CB 3.23Å; L185-L188 PolarHBondContact O-N 3.02Å; L185-I189 HydrophobicContact CD1-CD1 3.8Å; L185-I189 HydrophobicContact CD1-CG1 4.11Å; L185-I189 HydrophobicContact CG-CD1 3.84Å; L185-I189 HydrophobicContact CG-CG1 4.49Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.32Å
186V98.6Very high98.1Very high1 Ų148.9 Ų48.91%0.00626%0.261CS..Hα-helixtrans-64.1-45.2-177.61760000110.5L9 W54 L59 V182 Q183 L188 I189 E190L9-V186 HydrophobicContact CD2-CG1 3.95Å; L9-V186 HydrophobicContact CD2-CG2 4.47Å; W54-V186 HydrophobicContact CD2-CG2 4.38Å; W54-V186 HydrophobicContact CE3-CB 4.31Å; W54-V186 HydrophobicContact CE3-CG1 3.81Å; W54-V186 HydrophobicContact CE3-CG2 4.21Å; W54-V186 HydrophobicContact CH2-CB 3.64Å; W54-V186 HydrophobicContact CH2-CG1 3.69Å; W54-V186 HydrophobicContact CH2-CG2 4.13Å; W54-V186 HydrophobicContact CZ2-CB 4.23Å; W54-V186 HydrophobicContact CZ2-CG2 4.29Å; W54-V186 HydrophobicContact CZ3-CB 3.72Å; W54-V186 HydrophobicContact CZ3-CG1 3.23Å; W54-V186 HydrophobicContact CZ3-CG2 4.11Å; L59-V186 HydrophobicContact CD1-CG2 4.09Å; L59-V186 HydrophobicContact CD2-CG2 4.26Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 2.86Å; Q183-V186 PolarHBondContact O-N 3.48Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3.36Å; V186-I189 PolarHBondContact O-N 3.33Å; V186-E190 HydrophobicContact CG1-CG 4.23Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.49Å; V186-E190 WeakPolarHBondContact O-CG 3.37Å; V186-E190 PolarHBondContact O-N 3.02Å
187E98.4Very high98Very high77 Ų7754.6 Ų54.636%0.3628%0.275SS..Hα-helixtrans-60.6-39.4175.1-74.1-178.2-165.200112.5Q183 I189 E190 K191Q183-E187 HydrophobicContact CG-CG 4.43Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.45Å; Q183-E187 PolarHBondContact NE2-OE1 3.17Å; Q183-E187 WeakPolarHBondContact O-CB 2.79Å; Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.24Å; E187-I189 VanDerWaalsContact C-N 3.34Å; E187-E190 PolarHBondContact O-N 2.97Å; E187-K191 WeakPolarHBondContact O-CB 3.27Å; E187-K191 WeakPolarHBondContact O-CD 3.35Å; E187-K191 VanDerWaalsContact O-CG 3.23Å; E187-K191 WeakPolarHBondContact O-CG 3.49Å; E187-K191 PolarHBondContact O-N 2.93Å; E187-K191 IonicContact OE2-NZ 3.78Å
188L98.5Very high97.8Very high35 Ų3553.1 Ų53.118%0.18328%0.283CS..Hα-helixtrans-63.5-42176.4-17860.8000111.4V128 R163 C165 E184 L185 V186 M192V128-L188 HydrophobicContact CG1-CD2 3.59Å; V128-L188 HydrophobicContact CG1-CG 4.31Å; R163-L188 HydrophobicContact CB-CD1 4.13Å; R163-L188 HydrophobicContact CB-CD2 4.28Å; R163-L188 HydrophobicContact CB-CG 4.35Å; R163-L188 HydrophobicContact CG-CD1 4.11Å; C165-L188 HydrophobicContact CB-CD2 4.29Å; E184-L188 VanDerWaalsContact O-CB 3.27Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 PolarHBondContact O-N 2.79Å; L185-L188 WeakPolarHBondContact O-CB 3.23Å; L185-L188 PolarHBondContact O-N 3.02Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3.36Å; L188-M192 WeakPolarHBondContact O-CB 3.38Å; L188-M192 PolarHBondContact O-N 2.6Å
189I98.6Very high97.6Very high0 Ų053.4 Ų53.40%029%0.293CS..Hα-helixtrans-66-45176-67.7169.3000110.6L9 I11 H93 A94 V128 L185 V186 E187 K191 M192 V193L9-I189 HydrophobicContact CD1-CG2 3.75Å; L9-I189 HydrophobicContact CD2-CB 4.48Å; L9-I189 HydrophobicContact CD2-CG2 4.06Å; L9-I189 HydrophobicContact CG-CG2 4.27Å; I11-I189 HydrophobicContact CD1-CD1 3.75Å; I11-I189 HydrophobicContact CG1-CD1 4.03Å; I11-I189 HydrophobicContact CG2-CD1 4.42Å; H93-I189 HydrophobicContact CB-CG2 4.48Å; A94-I189 HydrophobicContact CB-CB 4.39Å; A94-I189 HydrophobicContact CB-CD1 3.62Å; A94-I189 HydrophobicContact CB-CG1 3.67Å; A94-I189 HydrophobicContact CB-CG2 3.83Å; V128-I189 HydrophobicContact CG2-CG1 4.32Å; L185-I189 HydrophobicContact CD1-CD1 3.8Å; L185-I189 HydrophobicContact CD1-CG1 4.11Å; L185-I189 HydrophobicContact CG-CD1 3.84Å; L185-I189 HydrophobicContact CG-CG1 4.49Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.32Å; V186-I189 PolarHBondContact O-N 3.33Å; E187-I189 VanDerWaalsContact C-N 3.34Å; I189-K191 PolarHBondContact O-N 3.2Å; I189-M192 HydrophobicContact CG2-CE 4.38Å; I189-M192 WeakPolarHBondContact O-CB 3.45Å; I189-M192 PolarHBondContact O-N 3.45Å; I189-V193 HydrophobicContact CG2-CG2 4.18Å; I189-V193 WeakPolarHBondContact O-CG2 3.4Å; I189-V193 PolarHBondContact O-N 3.39Å
190E97.1Very high97.5Very high41 Ų4154.9 Ų54.919%0.19230%0.297CS..Hα-helixtrans-62.2-44.3179.9-73.4-179.1-170.900112.1R57 V186 E187 M192 V193 Q194R57-E190 WeakPolarHBondContact CD-OE1 3.43Å; R57-E190 IonicContact CZ-OE1 3.79Å; R57-E190 IonicContact CZ-OE2 3.86Å; R57-E190 IonicContact NE-OE1 3.34Å; R57-E190 PolarHBondContact NE-OE1 3.01Å; R57-E190 IonicContact NH1-OE1 3.87Å; R57-E190 PolarHBondContact NH1-OE1 3.31Å; R57-E190 IonicContact NH2-OE1 2.74Å; R57-E190 PolarHBondContact NH2-OE1 2.77Å; R57-E190 IonicContact NH2-OE2 3.08Å; R57-E190 PolarHBondContact NH2-OE2 2.57Å; R57-E190 VanDerWaalsContact NH2-OE2 3.12Å; V186-E190 HydrophobicContact CG1-CG 4.23Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.49Å; V186-E190 WeakPolarHBondContact O-CG 3.37Å; V186-E190 PolarHBondContact O-N 3.02Å; E187-E190 PolarHBondContact O-N 2.97Å; E190-M192 VanDerWaalsContact C-N 3.31Å; E190-M192 PolarHBondContact O-N 3.49Å; E190-V193 PolarHBondContact O-N 3Å; E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.22Å; E190-Q194 PolarHBondContact O-N 3.29Å
191K98.3Very high97.5Very high120 Ų12051.5 Ų51.552%0.52227%0.272SS..Hα-helixtrans-58.1-45.1173.1-72.8166.1-172.1162.30110.9E187 I189 Q194 C195E187-K191 WeakPolarHBondContact O-CB 3.27Å; E187-K191 WeakPolarHBondContact O-CD 3.35Å; E187-K191 VanDerWaalsContact O-CG 3.23Å; E187-K191 WeakPolarHBondContact O-CG 3.49Å; E187-K191 PolarHBondContact O-N 2.93Å; E187-K191 IonicContact OE2-NZ 3.78Å; I189-K191 PolarHBondContact O-N 3.2Å; K191-Q194 PolarHBondContact O-N 2.9Å; K191-C195 PolarHBondContact O-N 3Å; K191-C195 PolarHBondContact O-SG 3.17Å
192M98.3Very high97.4Very high7 Ų753.5 Ų53.53%0.03429%0.287CS..Hα-helixtrans-61.6-45.1176.9179.1-173.871.400112.1H93 A94 K125 H126 V128 R163 L188 I189 E190 C195 N196H93-M192 VanDerWaalsContact O-CE 3.24Å; H93-M192 WeakPolarHBondContact O-CE 3.31Å; A94-M192 HydrophobicContact CB-CE 3.93Å; K125-M192 WeakPolarHBondContact O-CG 2.88Å; K125-M192 VanDerWaalsContact O-SD 3.36Å; H126-M192 VanDerWaalsContact CA-SD 3.57Å; H126-M192 HydrophobicContact CB-CE 4.4Å; H126-M192 WeakPolarHBondContact O-CE 3.25Å; V128-M192 HydrophobicContact CG2-CE 3.95Å; V128-M192 HydrophobicContact CG2-SD 3.62Å; R163-M192 VanDerWaalsContact CD-SD 3.57Å; R163-M192 PolarHBondContact NE-SD 2.54Å; R163-M192 VanDerWaalsContact NE-SD 3.41Å; L188-M192 WeakPolarHBondContact O-CB 3.38Å; L188-M192 PolarHBondContact O-N 2.6Å; I189-M192 HydrophobicContact CG2-CE 4.38Å; I189-M192 WeakPolarHBondContact O-CB 3.45Å; I189-M192 PolarHBondContact O-N 3.45Å; E190-M192 VanDerWaalsContact C-N 3.31Å; E190-M192 PolarHBondContact O-N 3.49Å; M192-C195 PolarHBondContact O-N 3.19Å; M192-N196 WeakPolarHBondContact O-CB 3.24Å; M192-N196 PolarHBondContact O-N 2.84Å; M192-N196 PolarHBondContact O-ND2 2.87Å
193V97.2Very high97.3Very high16 Ų1654.7 Ų54.710%0.09729%0.293CS..Hα-helixtrans-63.7-43.9178.8169.40000110.6H93 I189 E190 C195 N196 E197 G198H93-V193 HydrophobicContact CB-CG2 4.05Å; I189-V193 HydrophobicContact CG2-CG2 4.18Å; I189-V193 WeakPolarHBondContact O-CG2 3.4Å; I189-V193 PolarHBondContact O-N 3.39Å; E190-V193 PolarHBondContact O-N 3Å; V193-C195 VanDerWaalsContact C-N 3.35Å; V193-C195 PolarHBondContact O-N 3.45Å; V193-N196 CarbonylContact O-C 3.49Å; V193-N196 WeakPolarHBondContact O-CA 3.39Å; V193-N196 PolarHBondContact O-N 3.2Å; V193-E197 PolarHBondContact O-N 3.43Å; V193-G198 WeakPolarHBondContact O-CA 3.44Å; V193-G198 PolarHBondContact O-N 3.39Å
194Q96.9Very high97.2Very high136 Ų13658 Ų5864%0.63631%0.312SS*.Hα-helixtrans-59.8-43.6174.8-72.2172.5-0.600112.1E190 K191 N196 E197E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.22Å; E190-Q194 PolarHBondContact O-N 3.29Å; K191-Q194 PolarHBondContact O-N 2.9Å; Q194-N196 PolarHBondContact O-N 3.01Å; Q194-E197 PolarHBondContact O-N 2.87Å
195C97.1Very high97.1Very high111 Ų11154.8 Ų54.875%0.7530%0.298SS*.Hα-helixtrans-66.8-21.4174.3-68.10000113.6K191 M192 V193 E197K191-C195 PolarHBondContact O-N 3Å; K191-C195 PolarHBondContact O-SG 3.17Å; M192-C195 PolarHBondContact O-N 3.19Å; V193-C195 VanDerWaalsContact C-N 3.35Å; V193-C195 PolarHBondContact O-N 3.45Å; C195-E197 VanDerWaalsContact C-N 3.33Å
196N96.6Very high97.1Very high34 Ų3455 Ų5518%0.18230%0.298CS..THydrogen-bonded Turntrans-97.838172.7-68.8-33.2000111.6K125 M192 V193 Q194 G198 A199K125-N196 PolarHBondContact O-ND2 3.08Å; M192-N196 WeakPolarHBondContact O-CB 3.24Å; M192-N196 PolarHBondContact O-N 2.84Å; M192-N196 PolarHBondContact O-ND2 2.87Å; V193-N196 CarbonylContact O-C 3.49Å; V193-N196 WeakPolarHBondContact O-CA 3.39Å; V193-N196 PolarHBondContact O-N 3.2Å; Q194-N196 PolarHBondContact O-N 3.01Å; N196-G198 PolarHBondContact O-N 2.86Å; N196-A199 PolarHBondContact O-N 3.09Å
197E95.8Very high97.1Very high189 Ų18960.5 Ų60.588%0.88332%0.322SS*.THydrogen-bonded Turntrans63.323.2173.9-54176.5161.300114.5V193 Q194 C195 A199V193-E197 PolarHBondContact O-N 3.43Å; Q194-E197 PolarHBondContact O-N 2.87Å; C195-E197 VanDerWaalsContact C-N 3.33Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 3.4Å
198G93.9Very high97.1Very high53 Ų5358.5 Ų58.555%0.54631%0.314SS..THydrogen-bonded Turntrans77.38.717500000114.9V193 N196V193-G198 WeakPolarHBondContact O-CA 3.44Å; V193-G198 PolarHBondContact O-N 3.39Å; N196-G198 PolarHBondContact O-N 2.86Å
199A93.9Very high97Very high48 Ų4856.8 Ų56.840%0.39731%0.305SS..  trans-109.5157.6-175.300000113.3H126 N196 E197H126-A199 PolarHBondContact CE1-O 2.82Å; N196-A199 PolarHBondContact O-N 3.09Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 3.4Å
200Y97.4Very high97Very high82 Ų8258.1 Ų58.132%0.32231%0.311SS..  trans-76.5163.8166.948-95.7000111.6R10 P90 G91 H93 S202R10-Y200 VanDerWaalsContact NH2-CG 3.26Å; P90-Y200 HydrophobicContact CB-CE2 3.93Å; P90-Y200 HydrophobicContact CG-CE1 4.16Å; P90-Y200 HydrophobicContact CG-CE2 3.87Å; G91-Y200 WeakPolarHBondContact O-CB 3.33Å; H93-Y200 AromaticContact NE2-CD1 3.91Å; Y200-S202 PolarHBondContact O-N 2.96Å
201F98.1Very high97Very high7 Ų761.4 Ų61.43%0.03133%0.327CS..  trans-66.4123.3173.7176.8-104.2000110.5G91 P92 F119 A123 H126 D203 Y206G91-F201 WeakPolarHBondContact CA-O 3.4Å; P92-F201 HydrophobicContact CG-CB 4.25Å; P92-F201 HydrophobicContact CG-CD1 4.37Å; P92-F201 WeakPolarHBondContact O-CB 3.41Å; P92-F201 PolarHBondContact O-N 2.89Å; F119-F201 HydrophobicContact CB-CE1 3.89Å; F119-F201 HydrophobicContact CB-CZ 3.71Å; F119-F201 AromaticContact CD1-CE1 3.87Å; F119-F201 HydrophobicContact CD1-CE1 3.87Å; F119-F201 HydrophobicContact CD1-CZ 4.42Å; F119-F201 HydrophobicContact CG-CE1 4.11Å; F119-F201 HydrophobicContact CG-CZ 4.42Å; A123-F201 HydrophobicContact CB-CD2 4.48Å; A123-F201 HydrophobicContact CB-CE2 3.99Å; A123-F201 HydrophobicContact CB-CZ 4.05Å; H126-F201 HydrophobicContact CB-CB 4.18Å; H126-F201 AromaticContact CD2-CD2 3.9Å; H126-F201 PolarHBondContact CE1-N 2.79Å; F201-D203 HydrophobicContact CE1-CB 4.13Å; F201-D203 HydrophobicContact CE2-CB 4.47Å; F201-D203 HydrophobicContact CZ-CB 3.71Å; F201-Y206 AromaticContact CD1-CD2 3.73Å; F201-Y206 HydrophobicContact CD1-CD2 3.73Å; F201-Y206 AromaticContact CD1-CE2 3.57Å; F201-Y206 HydrophobicContact CD1-CE2 3.57Å; F201-Y206 AromaticContact CE1-CD2 3.64Å; F201-Y206 HydrophobicContact CE1-CD2 3.64Å; F201-Y206 AromaticContact CE1-CE2 3.57Å; F201-Y206 HydrophobicContact CE1-CE2 3.57Å
202S96.8Very high97Very high45 Ų4559.7 Ų59.732%0.31532%0.317SS..  trans-144.2105.6178.6-168.50000111.1Y200 K207Y200-S202 PolarHBondContact O-N 2.96Å; S202-K207 WeakPolarHBondContact OG-CG 3.4Å
203D96.4Very high97Very high26 Ų2659.3 Ų59.314%0.13932%0.315CS..  trans-105.1-172.4175.373.6-6.7000111.7F119 F201 I205 Y206 K207F119-D203 WeakPolarHBondContact CD1-OD2 3.45Å; F201-D203 HydrophobicContact CE1-CB 4.13Å; F201-D203 HydrophobicContact CE2-CB 4.47Å; F201-D203 HydrophobicContact CZ-CB 3.71Å; D203-I205 PolarHBondContact O-N 2.83Å; D203-I205 WeakPolarHBondContact OD1-CA 3.31Å; D203-I205 WeakPolarHBondContact OD1-CB 3.34Å; D203-I205 PolarHBondContact OD1-N 2.81Å; D203-Y206 PolarHBondContact O-N 2.85Å; D203-Y206 VanDerWaalsContact OD1-CD2 3.3Å; D203-Y206 WeakPolarHBondContact OD1-CD2 3.4Å; D203-Y206 PolarHBondContact OD1-N 2.97Å; D203-K207 WeakPolarHBondContact O-CB 3.1Å; D203-K207 VanDerWaalsContact O-CG 3.25Å; D203-K207 WeakPolarHBondContact O-CG 3.46Å; D203-K207 PolarHBondContact O-N 3.41Å
204D97Very high97Very high117 Ų11764.1 Ų64.163%0.62633%0.334SS*.Hα-helixtrans-65.3-20.9-179.9-61.9-25.8000113.5D208 R279D204-D208 WeakPolarHBondContact O-CB 3.22Å; D204-D208 PolarHBondContact O-N 2.99Å; D204-R279 VanDerWaalsContact C-NH2 3.34Å; D204-R279 PolarHBondContact O-NH1 3.37Å; D204-R279 PolarHBondContact O-NH2 3.07Å
205I96.7Very high97.1Very high5 Ų562.4 Ų62.43%0.02633%0.326CS..Hα-helixtrans-79.8-48.4177-56.5175.4000109.3I85 V118 F119 D203 T209 I280 M283I85-I205 HydrophobicContact CD1-CG2 3.9Å; I85-I205 HydrophobicContact CG2-CG2 4.28Å; V118-I205 HydrophobicContact CG1-CD1 3.8Å; V118-I205 WeakPolarHBondContact O-CD1 3.47Å; F119-I205 HydrophobicContact CD1-CD1 4.42Å; F119-I205 HydrophobicContact CE1-CD1 4.47Å; D203-I205 PolarHBondContact O-N 2.83Å; D203-I205 WeakPolarHBondContact OD1-CA 3.31Å; D203-I205 WeakPolarHBondContact OD1-CB 3.34Å; D203-I205 PolarHBondContact OD1-N 2.81Å; I205-T209 VanDerWaalsContact O-CB 3.31Å; I205-T209 WeakPolarHBondContact O-CB 3.47Å; I205-T209 PolarHBondContact O-N 3.24Å; I205-T209 PolarHBondContact O-OG1 2.91Å; I205-I280 HydrophobicContact CD1-CD1 4.27Å; I205-I280 HydrophobicContact CG2-CD1 4.26Å; I205-M283 HydrophobicContact CD1-CE 4Å; I205-M283 HydrophobicContact CD1-SD 3.77Å; I205-M283 HydrophobicContact CG1-SD 4.48Å
206Y98Very high97.1Very high5 Ų560.9 Ų60.92%0.0231%0.305CS..Hα-helixtrans-63.4-41.7177.5-81.9-73.5000112.1I85 S88 P92 F119 F201 D203 T209 E210I85-Y206 HydrophobicContact CB-CE1 4.32Å; I85-Y206 HydrophobicContact CG2-CD1 4.03Å; I85-Y206 HydrophobicContact CG2-CE1 3.85Å; S88-Y206 WeakPolarHBondContact OG-CE1 3.33Å; S88-Y206 PolarHBondContact OG-OH 3.17Å; P92-Y206 WeakPolarHBondContact CD-OH 3.31Å; F119-Y206 HydrophobicContact CD1-CD2 4.39Å; F119-Y206 AromaticContact CD1-CE2 3.84Å; F119-Y206 HydrophobicContact CD1-CE2 3.84Å; F119-Y206 HydrophobicContact CE1-CD2 4.26Å; F119-Y206 AromaticContact CE1-CE2 3.52Å; F119-Y206 HydrophobicContact CE1-CE2 3.52Å; F119-Y206 HydrophobicContact CZ-CE2 4.29Å; F201-Y206 AromaticContact CD1-CD2 3.73Å; F201-Y206 HydrophobicContact CD1-CD2 3.73Å; F201-Y206 AromaticContact CD1-CE2 3.57Å; F201-Y206 HydrophobicContact CD1-CE2 3.57Å; F201-Y206 AromaticContact CE1-CD2 3.64Å; F201-Y206 HydrophobicContact CE1-CD2 3.64Å; F201-Y206 AromaticContact CE1-CE2 3.57Å; F201-Y206 HydrophobicContact CE1-CE2 3.57Å; D203-Y206 PolarHBondContact O-N 2.85Å; D203-Y206 VanDerWaalsContact OD1-CD2 3.3Å; D203-Y206 WeakPolarHBondContact OD1-CD2 3.4Å; D203-Y206 PolarHBondContact OD1-N 2.97Å; Y206-T209 PolarHBondContact O-N 2.81Å; Y206-E210 VanDerWaalsContact O-CB 3.27Å; Y206-E210 WeakPolarHBondContact O-CB 3.48Å; Y206-E210 PolarHBondContact O-N 2.81Å
207K98Very high97.2Very high117 Ų11761 Ų6151%0.50930%0.304SS..Hα-helixtrans-62.3-49.8177.8-71170.9-172.8173.60112.5S202 D203 T209 E210 E211S202-K207 WeakPolarHBondContact OG-CG 3.4Å; D203-K207 WeakPolarHBondContact O-CB 3.1Å; D203-K207 VanDerWaalsContact O-CG 3.25Å; D203-K207 WeakPolarHBondContact O-CG 3.46Å; D203-K207 PolarHBondContact O-N 3.41Å; K207-T209 VanDerWaalsContact C-N 3.35Å; K207-T209 PolarHBondContact O-N 3.12Å; K207-E210 PolarHBondContact O-N 2.77Å; K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.15Å
208D97.7Very high97.3Very high34 Ų3458.3 Ų58.318%0.18229%0.292CS..Hα-helixtrans-63.6-40.6177171.671.6000111.7D204 E211 R212 R279D204-D208 WeakPolarHBondContact O-CB 3.22Å; D204-D208 PolarHBondContact O-N 2.99Å; D208-E211 PolarHBondContact O-N 2.86Å; D208-R212 VanDerWaalsContact CG-NE 3.31Å; D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.33Å; D208-R212 PolarHBondContact O-N 2.97Å; D208-R212 IonicContact OD1-CZ 3.99Å; D208-R212 IonicContact OD1-NE 3.63Å; D208-R212 PolarHBondContact OD1-NE 3.4Å; D208-R212 VanDerWaalsContact OD1-NE 3.12Å; D208-R212 IonicContact OD1-NH2 2.99Å; D208-R212 PolarHBondContact OD1-NH2 3.28Å; D208-R212 IonicContact OD2-CZ 3.69Å; D208-R212 IonicContact OD2-NE 3.42Å; D208-R212 PolarHBondContact OD2-NE 3.41Å; D208-R212 IonicContact OD2-NH2 2.65Å; D208-R279 IonicContact OD1-NH1 3.28Å; D208-R279 IonicContact OD2-CZ 3.5Å; D208-R279 IonicContact OD2-NH1 3.12Å; D208-R279 PolarHBondContact OD2-NH1 2.95Å
209T97.9Very high97.5Very high0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-65.4-42.2177.9-54.80000111.2I85 I86 C89 I205 Y206 K207 R212 L213 I272 V276I85-T209 HydrophobicContact CG2-CG2 4.21Å; I86-T209 HydrophobicContact CG1-CG2 4.05Å; C89-T209 WeakPolarHBondContact SG-CG2 3.38Å; I205-T209 VanDerWaalsContact O-CB 3.31Å; I205-T209 WeakPolarHBondContact O-CB 3.47Å; I205-T209 PolarHBondContact O-N 3.24Å; I205-T209 PolarHBondContact O-OG1 2.91Å; Y206-T209 PolarHBondContact O-N 2.81Å; K207-T209 VanDerWaalsContact C-N 3.35Å; K207-T209 PolarHBondContact O-N 3.12Å; T209-R212 PolarHBondContact O-N 3.15Å; T209-L213 HydrophobicContact CG2-CD1 4.27Å; T209-L213 WeakPolarHBondContact O-CG 3.26Å; T209-L213 PolarHBondContact O-N 3.34Å; T209-I272 HydrophobicContact CG2-CD1 3.71Å; T209-V276 HydrophobicContact CG2-CG2 3.76Å
210E98Very high97.7Very high27 Ų2757.3 Ų57.313%0.12627%0.27CS..Hα-helixtrans-64.2-41.2176-178.757.7-152.200111.9P90 Y206 K207 L213 K214 R265P90-E210 HydrophobicContact CB-CB 4.41Å; P90-E210 HydrophobicContact CB-CG 3.92Å; Y206-E210 VanDerWaalsContact O-CB 3.27Å; Y206-E210 WeakPolarHBondContact O-CB 3.48Å; Y206-E210 PolarHBondContact O-N 2.81Å; K207-E210 PolarHBondContact O-N 2.77Å; E210-L213 PolarHBondContact O-N 3.44Å; E210-K214 WeakPolarHBondContact O-CG 3.49Å; E210-K214 PolarHBondContact O-N 2.89Å; E210-K214 WeakPolarHBondContact OE1-CE 3.37Å; E210-R265 IonicContact OE1-NH1 3.83Å; E210-R265 PolarHBondContact OE1-NH1 2.97Å; E210-R265 IonicContact OE1-NH2 2.65Å; E210-R265 IonicContact OE2-CZ 2.66Å; E210-R265 IonicContact OE2-NH1 3.08Å; E210-R265 IonicContact OE2-NH2 3.26Å; E210-R265 PolarHBondContact OE2-NH2 3.26Å
211E98.1Very high97.7Very high111 Ų11158.8 Ų58.852%0.51928%0.275SS..Hα-helixtrans-62.5-44.7175.7-170.1179.8171.600111.3K207 D208 L213 K214 Q215K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.15Å; D208-E211 PolarHBondContact O-N 2.86Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.03Å; E211-K214 PolarHBondContact O-N 2.85Å; E211-Q215 WeakPolarHBondContact O-CB 3.3Å; E211-Q215 VanDerWaalsContact O-CG 3.3Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 3.29Å; E211-Q215 PolarHBondContact OE1-NE2 3.41Å
212R97.8Very high97.7Very high83 Ų8365.2 Ų65.231%0.31330%0.303SS..Hα-helixtrans-60.7-39.8174.5-71.1173.4-167.6-72.8-20.8112.3D208 T209 R216 I272 D275D208-R212 VanDerWaalsContact CG-NE 3.31Å; D208-R212 VanDerWaalsContact O-CG 3.26Å; D208-R212 WeakPolarHBondContact O-CG 3.33Å; D208-R212 PolarHBondContact O-N 2.97Å; D208-R212 IonicContact OD1-CZ 3.99Å; D208-R212 IonicContact OD1-NE 3.63Å; D208-R212 PolarHBondContact OD1-NE 3.4Å; D208-R212 VanDerWaalsContact OD1-NE 3.12Å; D208-R212 IonicContact OD1-NH2 2.99Å; D208-R212 PolarHBondContact OD1-NH2 3.28Å; D208-R212 IonicContact OD2-CZ 3.69Å; D208-R212 IonicContact OD2-NE 3.42Å; D208-R212 PolarHBondContact OD2-NE 3.41Å; D208-R212 IonicContact OD2-NH2 2.65Å; T209-R212 PolarHBondContact O-N 3.15Å; R212-R216 VanDerWaalsContact O-CB 3.31Å; R212-R216 WeakPolarHBondContact O-CB 3.3Å; R212-R216 PolarHBondContact O-N 3.44Å; R212-I272 HydrophobicContact CB-CG2 4.26Å; R212-D275 IonicContact NH1-OD2 2.57Å
213L97.9Very high97.8Very high0 Ų066.4 Ų66.40%031%0.305CS..Hα-helixtrans-62.4-50.4176-74.7165.3000110.6C89 T209 E210 E211 Q215 R216 E217 R265 A268 E269 I272C89-L213 HydrophobicContact CB-CD1 3.66Å; T209-L213 HydrophobicContact CG2-CD1 4.27Å; T209-L213 WeakPolarHBondContact O-CG 3.26Å; T209-L213 PolarHBondContact O-N 3.34Å; E210-L213 PolarHBondContact O-N 3.44Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 3.03Å; L213-Q215 PolarHBondContact O-N 3.43Å; L213-R216 PolarHBondContact O-N 3.44Å; L213-R216 VanDerWaalsContact O-N 3.14Å; L213-E217 WeakPolarHBondContact O-CG 3.38Å; L213-E217 PolarHBondContact O-N 3Å; L213-R265 VanDerWaalsContact CB-NH1 3.25Å; L213-R265 VanDerWaalsContact CD1-CZ 3.41Å; L213-A268 HydrophobicContact CD2-CB 3.98Å; L213-E269 HydrophobicContact CD2-CB 4.4Å; L213-E269 HydrophobicContact CD2-CG 3.88Å; L213-I272 HydrophobicContact CD1-CD1 4.19Å; L213-I272 HydrophobicContact CD2-CD1 3.46Å; L213-I272 VanDerWaalsContact CD2-CD1 3.46Å; L213-I272 HydrophobicContact CD2-CG1 3.71Å; L213-I272 HydrophobicContact CG-CD1 3.5Å; L213-I272 VanDerWaalsContact CG-CD1 3.5Å; L213-I272 HydrophobicContact CG-CG1 4.28Å
214K97.8Very high97.8Very high116 Ų11666.8 Ų66.850%0.50430%0.304SS..Hα-helixtrans-59-46.3177.7-71.4-179.5-179.8-179.20112.4E210 E211 R216 E217 E218E210-K214 WeakPolarHBondContact O-CG 3.49Å; E210-K214 PolarHBondContact O-N 2.89Å; E210-K214 WeakPolarHBondContact OE1-CE 3.37Å; E211-K214 PolarHBondContact O-N 2.85Å; K214-R216 VanDerWaalsContact C-N 3.31Å; K214-R216 PolarHBondContact O-N 3.02Å; K214-E217 PolarHBondContact O-N 3.31Å; K214-E218 WeakPolarHBondContact O-CG 3.18Å; K214-E218 PolarHBondContact O-N 2.97Å
215Q97.8Very high97.9Very high100 Ų10063.3 Ų63.347%0.46729%0.288SS..Hα-helixtrans-58.8-43.3175.6-72.7174.44.300111.5E211 L213 E218 V219E211-Q215 WeakPolarHBondContact O-CB 3.3Å; E211-Q215 VanDerWaalsContact O-CG 3.3Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 3.29Å; E211-Q215 PolarHBondContact OE1-NE2 3.41Å; L213-Q215 PolarHBondContact O-N 3.43Å; Q215-E218 PolarHBondContact O-N 2.89Å; Q215-V219 WeakPolarHBondContact O-CG2 3.41Å; Q215-V219 PolarHBondContact O-N 3.22Å
216R97.7Very high98Very high80 Ų8066.9 Ų66.930%0.30231%0.307SS..Hα-helixtrans-68.9-38.2179-175.456.8178.81721.4112.1R212 L213 K214 V219 L220 A268 N271 I272R212-R216 VanDerWaalsContact O-CB 3.31Å; R212-R216 WeakPolarHBondContact O-CB 3.3Å; R212-R216 PolarHBondContact O-N 3.44Å; L213-R216 PolarHBondContact O-N 3.44Å; L213-R216 VanDerWaalsContact O-N 3.14Å; K214-R216 VanDerWaalsContact C-N 3.31Å; K214-R216 PolarHBondContact O-N 3.02Å; R216-V219 PolarHBondContact O-N 2.83Å; R216-L220 HydrophobicContact CG-CD1 4.05Å; R216-L220 HydrophobicContact CG-CG 4.42Å; R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.14Å; R216-L220 PolarHBondContact O-N 3.07Å; R216-A268 HydrophobicContact CB-CB 4.07Å; R216-A268 HydrophobicContact CG-CB 3.9Å; R216-N271 HydrophobicContact CG-CB 4.11Å; R216-N271 PolarHBondContact NE-ND2 3.31Å; R216-N271 PolarHBondContact NH2-ND2 3.26Å; R216-N271 VanDerWaalsContact NH2-ND2 3.16Å; R216-I272 HydrophobicContact CB-CG2 3.98Å; R216-I272 HydrophobicContact CG-CG2 4.26Å
217E97.9Very high98Very high35 Ų3570.2 Ų70.216%0.16432%0.323CS..Hα-helixtrans-61.7-43.3173.3-72.9174.8-14100111.7L213 K214 L220 R221 I264 R265 A268L213-E217 WeakPolarHBondContact O-CG 3.38Å; L213-E217 PolarHBondContact O-N 3Å; K214-E217 PolarHBondContact O-N 3.31Å; E217-L220 PolarHBondContact O-N 3Å; E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.36Å; E217-I264 HydrophobicContact CB-CD1 4.39Å; E217-I264 HydrophobicContact CB-CG1 4.46Å; E217-I264 HydrophobicContact CG-CG1 4.42Å; E217-I264 HydrophobicContact CG-CG2 4.2Å; E217-I264 WeakPolarHBondContact O-CD1 3.13Å; E217-R265 WeakPolarHBondContact OE1-CD 3.24Å; E217-R265 IonicContact OE1-CZ 3.28Å; E217-R265 IonicContact OE1-NE 3.81Å; E217-R265 IonicContact OE1-NH1 2.72Å; E217-R265 PolarHBondContact OE1-NH1 3.4Å; E217-A268 HydrophobicContact CG-CB 3.79Å
218E98.1Very high98Very high134 Ų13465.5 Ų65.563%0.62630%0.303SS*.Hα-helixtrans-62.8-44.3175.6-74.5176.8-176.700112K214 Q215 R221 K222K214-E218 WeakPolarHBondContact O-CG 3.18Å; K214-E218 PolarHBondContact O-N 2.97Å; Q215-E218 PolarHBondContact O-N 2.89Å; E218-R221 PolarHBondContact O-N 3.27Å; E218-K222 PolarHBondContact O-N 3.2Å
219V98.2Very high98Very high72 Ų7268.2 Ų68.244%0.43632%0.317SS..Hα-helixtrans-61.4-47.5175.7169.30000111.2Q215 R216 R221 K222 I223Q215-V219 WeakPolarHBondContact O-CG2 3.41Å; Q215-V219 PolarHBondContact O-N 3.22Å; R216-V219 PolarHBondContact O-N 2.83Å; V219-R221 VanDerWaalsContact C-N 3.35Å; V219-K222 PolarHBondContact O-N 3.33Å; V219-I223 HydrophobicContact CG1-CD1 3.95Å; V219-I223 WeakPolarHBondContact O-CG1 3.46Å; V219-I223 PolarHBondContact O-N 3.04Å
220L98Very high98Very high7 Ų774.6 Ų74.64%0.03735%0.347CS..Hα-helixtrans-63.6-40.8178.1-75170.1000111.7R216 E217 K222 I223 Y224 I264 E267 A268R216-L220 HydrophobicContact CG-CD1 4.05Å; R216-L220 HydrophobicContact CG-CG 4.42Å; R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.14Å; R216-L220 PolarHBondContact O-N 3.07Å; E217-L220 PolarHBondContact O-N 3Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 3.28Å; L220-I223 PolarHBondContact O-N 3.35Å; L220-Y224 HydrophobicContact CB-CE2 4.33Å; L220-Y224 WeakPolarHBondContact O-CD2 3.21Å; L220-Y224 PolarHBondContact O-N 2.94Å; L220-I264 HydrophobicContact CB-CD1 3.87Å; L220-I264 HydrophobicContact CB-CG1 3.88Å; L220-I264 HydrophobicContact CD1-CG1 4.2Å; L220-E267 HydrophobicContact CD1-CB 4.1Å; L220-E267 HydrophobicContact CD1-CG 3.79Å; L220-E267 HydrophobicContact CD2-CG 4.3Å; L220-A268 HydrophobicContact CD1-CB 4.33Å
221R98.1Very high98Very high114 Ų11476.6 Ų76.643%0.4336%0.357SS..Hα-helixtrans-59-47.8177.2-177-178.1-58-111.80.7109.9E217 E218 V219 Y224 T225 I261 I264E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.36Å; E218-R221 PolarHBondContact O-N 3.27Å; V219-R221 VanDerWaalsContact C-N 3.35Å; R221-Y224 PolarHBondContact O-N 3.38Å; R221-T225 PolarHBondContact O-N 3.31Å; R221-T225 PolarHBondContact O-OG1 3.22Å; R221-I261 HydrophobicContact CB-CD1 4.32Å; R221-I261 HydrophobicContact CG-CD1 3.92Å; R221-I264 HydrophobicContact CB-CD1 3.86Å
222K98.3Very high98Very high142 Ų14272.4 Ų72.462%0.61734%0.337SS*.Hα-helixtrans-59.5-48176.6-170.9175.3-179.5179.90111.9E218 V219 L220 Y224 T225 D226E218-K222 PolarHBondContact O-N 3.2Å; V219-K222 PolarHBondContact O-N 3.33Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 3.28Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 3.18Å; K222-T225 PolarHBondContact O-N 2.77Å; K222-D226 WeakPolarHBondContact O-CB 3.42Å; K222-D226 VanDerWaalsContact O-CG 3.27Å; K222-D226 PolarHBondContact O-N 2.84Å
223I98.1Very high98Very high69 Ų6974.1 Ų74.135%0.35435%0.347SS..Hα-helixtrans-56.3-45.4176.3-69.6168.1000111V219 L220 D226 Q227V219-I223 HydrophobicContact CG1-CD1 3.95Å; V219-I223 WeakPolarHBondContact O-CG1 3.46Å; V219-I223 PolarHBondContact O-N 3.04Å; L220-I223 PolarHBondContact O-N 3.35Å; I223-D226 PolarHBondContact O-N 2.89Å; I223-Q227 HydrophobicContact CG2-CG 4.5Å; I223-Q227 WeakPolarHBondContact O-CB 3.34Å; I223-Q227 VanDerWaalsContact O-CG 3.25Å; I223-Q227 WeakPolarHBondContact O-CG 3.48Å; I223-Q227 PolarHBondContact O-N 2.84Å
224Y97.8Very high98Very high34 Ų3479.9 Ų79.913%0.13338%0.377CS..Hα-helixtrans-69.8-36.1-179.3-63.1-19.8000112.8L220 R221 K222 L228 K260 I261 I264L220-Y224 HydrophobicContact CB-CE2 4.33Å; L220-Y224 WeakPolarHBondContact O-CD2 3.21Å; L220-Y224 PolarHBondContact O-N 2.94Å; R221-Y224 PolarHBondContact O-N 3.38Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 3.18Å; Y224-L228 WeakPolarHBondContact O-CB 3.19Å; Y224-L228 PolarHBondContact O-N 3.43Å; Y224-K260 HydrophobicContact CD1-CD 4.01Å; Y224-K260 HydrophobicContact CD2-CB 3.78Å; Y224-K260 HydrophobicContact CD2-CD 4.22Å; Y224-K260 HydrophobicContact CE1-CD 4.13Å; Y224-K260 HydrophobicContact CE2-CB 3.79Å; Y224-K260 HydrophobicContact CE2-CD 4.34Å; Y224-K260 HydrophobicContact CE2-CG 4.43Å; Y224-K260 HydrophobicContact CG-CB 4.39Å; Y224-K260 HydrophobicContact CG-CD 4.06Å; Y224-I261 HydrophobicContact CD2-CD1 4.25Å; Y224-I264 HydrophobicContact CE2-CG1 4.43Å
225T98.2Very high97.9Very high45 Ų4574.8 Ų74.828%0.27636%0.356SS..Hα-helixtrans-66.7-43.7174.9-54.50000111.1R221 K222 L228 N229 Y257R221-T225 PolarHBondContact O-N 3.31Å; R221-T225 PolarHBondContact O-OG1 3.22Å; K222-T225 PolarHBondContact O-N 2.77Å; T225-L228 PolarHBondContact O-N 2.65Å; T225-N229 VanDerWaalsContact O-CG 3.25Å; T225-N229 PolarHBondContact O-N 2.71Å; T225-N229 PolarHBondContact O-ND2 3.38Å; T225-Y257 PolarHBondContact OG1-OH 3.44Å
226D98.4Very high97.8Very high80 Ų8075.6 Ų75.643%0.42836%0.359SS..Hα-helixtrans-63-45.2177.2-67.2-19.1000110.7K222 I223 L228 N229 E230K222-D226 WeakPolarHBondContact O-CB 3.42Å; K222-D226 VanDerWaalsContact O-CG 3.27Å; K222-D226 PolarHBondContact O-N 2.84Å; I223-D226 PolarHBondContact O-N 2.89Å; D226-L228 PolarHBondContact O-N 3.02Å; D226-N229 PolarHBondContact O-N 2.8Å; D226-E230 WeakPolarHBondContact O-CG 3.49Å; D226-E230 PolarHBondContact O-N 3.09Å
227Q97.9Very high97.7Very high75 Ų7577.4 Ų77.435%0.3537%0.372SS..Hα-helixtrans-57.9-45.9173.4-76.9176.1-5.400112.6I223 N229 E230 E231I223-Q227 HydrophobicContact CG2-CG 4.5Å; I223-Q227 WeakPolarHBondContact O-CB 3.34Å; I223-Q227 VanDerWaalsContact O-CG 3.25Å; I223-Q227 WeakPolarHBondContact O-CG 3.48Å; I223-Q227 PolarHBondContact O-N 2.84Å; Q227-N229 VanDerWaalsContact C-N 3.33Å; Q227-N229 PolarHBondContact O-N 3.45Å; Q227-E230 PolarHBondContact O-N 2.83Å; Q227-E231 WeakPolarHBondContact O-CG 3.48Å; Q227-E231 PolarHBondContact O-N 3.44Å
228L98.2Very high97.6Very high18 Ų1878 Ų789%0.09438%0.375CS..Hα-helixtrans-61.2-43.9178.717766.1000111.1Y224 T225 D226 E231 I232 L253 K254 Y257Y224-L228 WeakPolarHBondContact O-CB 3.19Å; Y224-L228 PolarHBondContact O-N 3.43Å; T225-L228 PolarHBondContact O-N 2.65Å; D226-L228 PolarHBondContact O-N 3.02Å; L228-E231 PolarHBondContact O-N 3.38Å; L228-I232 HydrophobicContact CD1-CD1 3.91Å; L228-I232 HydrophobicContact CD1-CG1 4.16Å; L228-I232 HydrophobicContact CD2-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 WeakPolarHBondContact O-CB 3.41Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.45Å; L228-I232 PolarHBondContact O-N 3.12Å; L228-L253 HydrophobicContact CD1-CB 3.78Å; L228-K254 HydrophobicContact CD2-CG 4.49Å; L228-Y257 HydrophobicContact CB-CD2 4.21Å; L228-Y257 HydrophobicContact CD2-CD1 4.08Å; L228-Y257 HydrophobicContact CD2-CD2 3.97Å; L228-Y257 HydrophobicContact CD2-CG 3.73Å
229N98.1Very high97.3Very high91 Ų9181 Ų8149%0.48739%0.387SS..Hα-helixtrans-65.7-40-179.8-69.8-26.7000112T225 D226 Q227 K233T225-N229 VanDerWaalsContact O-CG 3.25Å; T225-N229 PolarHBondContact O-N 2.71Å; T225-N229 PolarHBondContact O-ND2 3.38Å; D226-N229 PolarHBondContact O-N 2.8Å; Q227-N229 VanDerWaalsContact C-N 3.33Å; Q227-N229 PolarHBondContact O-N 3.45Å; N229-K233 WeakPolarHBondContact O-CB 3.29Å; N229-K233 PolarHBondContact O-N 3.24Å
230E98.2Very high97.1Very high134 Ų13486.2 Ų86.263%0.62641%0.406SS*.Hα-helixtrans-62.9-46.9173.9-74.4-179.8173.700111.7D226 Q227 K233 L234D226-E230 WeakPolarHBondContact O-CG 3.49Å; D226-E230 PolarHBondContact O-N 3.09Å; Q227-E230 PolarHBondContact O-N 2.83Å; E230-K233 PolarHBondContact O-N 3.11Å; E230-L234 WeakPolarHBondContact O-CG 3.49Å; E230-L234 PolarHBondContact O-N 3.48Å; E230-L234 VanDerWaalsContact O-N 3.09Å
231E97.8Very high96.8Very high69 Ų6988.8 Ų88.832%0.32242%0.417SS..Hα-helixtrans-63.4-42.2178.6-71.6176.6170.400111.8Q227 L228 K233 L234 V235 L253Q227-E231 WeakPolarHBondContact O-CG 3.48Å; Q227-E231 PolarHBondContact O-N 3.44Å; L228-E231 PolarHBondContact O-N 3.38Å; E231-K233 PolarHBondContact O-N 2.91Å; E231-L234 PolarHBondContact O-N 2.82Å; E231-V235 WeakPolarHBondContact O-CG2 3.4Å; E231-V235 PolarHBondContact O-N 2.99Å; E231-L253 HydrophobicContact CB-CD1 3.79Å; E231-L253 HydrophobicContact CB-CD2 4.41Å; E231-L253 WeakPolarHBondContact OE2-CD2 3.45Å
232I97.9Very high96.6Very high22 Ų2286 Ų8611%0.11342%0.415CS..Hα-helixtrans-61.3-45.6175.5-72.9175.3000110.8L228 L234 V235 E236 I250 L253L228-I232 HydrophobicContact CD1-CD1 3.91Å; L228-I232 HydrophobicContact CD1-CG1 4.16Å; L228-I232 HydrophobicContact CD2-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 WeakPolarHBondContact O-CB 3.41Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.45Å; L228-I232 PolarHBondContact O-N 3.12Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 3.26Å; I232-V235 PolarHBondContact O-N 3.27Å; I232-V235 VanDerWaalsContact O-N 3.11Å; I232-E236 HydrophobicContact CG2-CG 4.25Å; I232-E236 WeakPolarHBondContact O-CG 3.35Å; I232-E236 PolarHBondContact O-N 2.83Å; I232-I250 HydrophobicContact CD1-CG2 4.09Å; I232-I250 HydrophobicContact CG1-CG1 4.3Å; I232-I250 HydrophobicContact CG1-CG2 4.16Å; I232-I250 HydrophobicContact CG2-CD1 4.12Å; I232-I250 HydrophobicContact CG2-CG1 4.3Å; I232-L253 HydrophobicContact CG1-CD1 4.23Å
233K97.6Very high96.4Very high119 Ų11987.6 Ų87.652%0.51742%0.424SS..Hα-helixtrans-59.9-40.8179.8-174.9177.7175-176.10111.9N229 E230 E231 V235 E236 E237N229-K233 WeakPolarHBondContact O-CB 3.29Å; N229-K233 PolarHBondContact O-N 3.24Å; E230-K233 PolarHBondContact O-N 3.11Å; E231-K233 PolarHBondContact O-N 2.91Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 3.45Å; K233-E236 PolarHBondContact O-N 3.44Å; K233-E237 WeakPolarHBondContact CE-OE1 3.44Å; K233-E237 HydrophobicContact CG-CG 4.46Å; K233-E237 IonicContact NZ-OE1 3.82Å; K233-E237 WeakPolarHBondContact O-CB 3.33Å; K233-E237 WeakPolarHBondContact O-CG 3.36Å; K233-E237 PolarHBondContact O-N 2.85Å
234L97.4Very high96.3Very high122 Ų12290.1 Ų90.164%0.63943%0.434SS*.Hα-helixtrans-62.6-39.2175.8-69.6173.8000112.4E230 E231 I232 D238E230-L234 WeakPolarHBondContact O-CG 3.49Å; E230-L234 PolarHBondContact O-N 3.48Å; E230-L234 VanDerWaalsContact O-N 3.09Å; E231-L234 PolarHBondContact O-N 2.82Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 3.26Å; L234-D238 PolarHBondContact O-N 2.96Å
235V97Very high96.3Very high8 Ų893.3 Ų93.35%0.04845%0.451CS..Hα-helixtrans-67.8-41.6176.4174.80000111.2E231 I232 K233 E237 D238 K246 E249 I250 L253E231-V235 WeakPolarHBondContact O-CG2 3.4Å; E231-V235 PolarHBondContact O-N 2.99Å; I232-V235 PolarHBondContact O-N 3.27Å; I232-V235 VanDerWaalsContact O-N 3.11Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 3.45Å; V235-E237 PolarHBondContact O-N 3.36Å; V235-D238 PolarHBondContact O-N 3.45Å; V235-K246 HydrophobicContact CG1-CB 3.89Å; V235-K246 HydrophobicContact CG1-CG 3.91Å; V235-K246 WeakPolarHBondContact O-CD 3.28Å; V235-K246 VanDerWaalsContact O-CE 3.24Å; V235-K246 WeakPolarHBondContact O-CE 3.39Å; V235-E249 HydrophobicContact CG1-CB 4.28Å; V235-E249 HydrophobicContact CG2-CG 4.06Å; V235-I250 HydrophobicContact CB-CG1 4.37Å; V235-I250 HydrophobicContact CG1-CD1 4.37Å; V235-I250 HydrophobicContact CG1-CG1 4.03Å; V235-L253 HydrophobicContact CG2-CD1 4.17Å
236E95.3Very high96.2Very high117 Ų11793.1 Ų93.155%0.54745%0.446SS..Hα-helixtrans-64.7-39178.6-72.2177.9163.700112.3I232 K233 D238 K246 I250I232-E236 HydrophobicContact CG2-CG 4.25Å; I232-E236 WeakPolarHBondContact O-CG 3.35Å; I232-E236 PolarHBondContact O-N 2.83Å; K233-E236 PolarHBondContact O-N 3.44Å; E236-D238 VanDerWaalsContact C-N 3.34Å; E236-K246 PolarHBondContact O-NZ 3.15Å; E236-I250 HydrophobicContact CG-CD1 4.09Å
237E95.8Very high96.1Very high119 Ų11995.9 Ų95.956%0.55646%0.456SS*.Hα-helixtrans-77.4-14.9-179.8-70.6177.6173.800113.9K233 V235 K239K233-E237 WeakPolarHBondContact CE-OE1 3.44Å; K233-E237 HydrophobicContact CG-CG 4.46Å; K233-E237 IonicContact NZ-OE1 3.82Å; K233-E237 WeakPolarHBondContact O-CB 3.33Å; K233-E237 WeakPolarHBondContact O-CG 3.36Å; K233-E237 PolarHBondContact O-N 2.85Å; V235-E237 PolarHBondContact O-N 3.36Å; E237-K239 PolarHBondContact O-N 2.9Å; E237-K239 VanDerWaalsContact O-N 3.14Å
238D95.1Very high96.1Very high46 Ų4698.3 Ų98.325%0.24647%0.466CS..  trans-68.2109.4178.7-169.8-14.6000111.3L234 V235 E236 H240 K241 K246L234-D238 PolarHBondContact O-N 2.96Å; V235-D238 PolarHBondContact O-N 3.45Å; E236-D238 VanDerWaalsContact C-N 3.34Å; D238-H240 VanDerWaalsContact C-N 3.28Å; D238-H240 PolarHBondContact O-N 3.28Å; D238-H240 WeakPolarHBondContact OD1-CB 3.36Å; D238-H240 IonicContact OD1-CD2 3.94Å; D238-H240 IonicContact OD1-CG 3.81Å; D238-H240 PolarHBondContact OD1-N 3.4Å; D238-K241 HydrophobicContact CB-CD 4.24Å; D238-K241 HydrophobicContact CB-CG 4.46Å; D238-K241 WeakPolarHBondContact OD2-CD 3.5Å; D238-K241 WeakPolarHBondContact OD2-CE 3.45Å; D238-K241 IonicContact OD2-NZ 3.51Å; D238-K246 WeakPolarHBondContact O-CE 3.31Å; D238-K246 PolarHBondContact O-NZ 3.21Å
239K93.1Very high96.1Very high198 Ų198100.7 Ų100.786%0.86148%0.476SS*.THydrogen-bonded Turntrans-76.7-12.1-178.6-65.2-174.6179.9179.80113.8E237E237-K239 PolarHBondContact O-N 2.9Å; E237-K239 VanDerWaalsContact O-N 3.14Å
240H93.9Very high96.1Very high181 Ų18197.6 Ų97.684%0.83846%0.459SS*.THydrogen-bonded Turntrans-87.8-17.1-178-64.8-67.8000113.2D238D238-H240 VanDerWaalsContact C-N 3.28Å; D238-H240 PolarHBondContact O-N 3.28Å; D238-H240 WeakPolarHBondContact OD1-CB 3.36Å; D238-H240 IonicContact OD1-CD2 3.94Å; D238-H240 IonicContact OD1-CG 3.81Å; D238-H240 PolarHBondContact OD1-N 3.4Å
241K91.1Very high96.1Very high62 Ų6298.6 Ų98.627%0.2746%0.462SS..SBendtrans-90.8137.2179.7-69.1177-178.4170.70111.7D238 E245 K246 E249D238-K241 HydrophobicContact CB-CD 4.24Å; D238-K241 HydrophobicContact CB-CG 4.46Å; D238-K241 WeakPolarHBondContact OD2-CD 3.5Å; D238-K241 WeakPolarHBondContact OD2-CE 3.45Å; D238-K241 IonicContact OD2-NZ 3.51Å; K241-E245 WeakPolarHBondContact CA-OE2 3.42Å; K241-E245 HydrophobicContact CB-CB 4.33Å; K241-K246 HydrophobicContact CB-CG 3.85Å; K241-K246 WeakPolarHBondContact O-CE 3.45Å; K241-E249 WeakPolarHBondContact CD-OE2 3.39Å; K241-E249 WeakPolarHBondContact CE-OE2 3.38Å; K241-E249 IonicContact NZ-OE1 3.74Å; K241-E249 PolarHBondContact NZ-OE1 3.17Å; K241-E249 IonicContact NZ-OE2 2.77Å; K241-E249 PolarHBondContact NZ-OE2 3.48Å
242S94.5Very high96.1Very high55 Ų55100.8 Ų100.839%0.38548%0.475SS..  trans-66.9159.9169.367.40000111.3E244 E245 K246S242-E244 PolarHBondContact O-N 2.91Å; S242-E245 PolarHBondContact N-OE2 3.44Å; S242-E245 PolarHBondContact O-N 2.79Å; S242-E245 WeakPolarHBondContact OG-CB 3.32Å; S242-E245 VanDerWaalsContact OG-CD 3.31Å; S242-E245 VanDerWaalsContact OG-CG 3.25Å; S242-E245 WeakPolarHBondContact OG-CG 3.33Å; S242-E245 PolarHBondContact OG-N 3.1Å; S242-E245 PolarHBondContact OG-OE2 2.98Å; S242-E245 VanDerWaalsContact OG-OE2 3.12Å; S242-K246 WeakPolarHBondContact O-CG 3.32Å; S242-K246 PolarHBondContact O-N 2.87Å
243E94.1Very high96.1Very high176 Ų176101 Ų10182%0.82248%0.476SS*.Hα-helixtrans-57.3-39.2176.9-67.6-179.116600112K246 E247E243-K246 PolarHBondContact O-N 2.93Å; E243-E247 PolarHBondContact O-N 3.37Å
244E95.9Very high96.1Very high121 Ų121100.5 Ų100.557%0.56547%0.474SS*.Hα-helixtrans-68.9-34.8-179.7-144.8-163.614600112.4S242 K248S242-E244 PolarHBondContact O-N 2.91Å; E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.35Å; E244-K248 PolarHBondContact O-N 3.09Å; E244-K248 WeakPolarHBondContact OE1-CE 3.12Å; E244-K248 IonicContact OE1-NZ 3.84Å; E244-K248 PolarHBondContact OE1-NZ 3.21Å
245E96.3Very high96.1Very high101 Ų101100 Ų10047%0.47247%0.472SS..Hα-helixtrans-68.1-44.2173.7-74.8166161.400111.3K241 S242 E247 K248 E249K241-E245 WeakPolarHBondContact CA-OE2 3.42Å; K241-E245 HydrophobicContact CB-CB 4.33Å; S242-E245 PolarHBondContact N-OE2 3.44Å; S242-E245 PolarHBondContact O-N 2.79Å; S242-E245 WeakPolarHBondContact OG-CB 3.32Å; S242-E245 VanDerWaalsContact OG-CD 3.31Å; S242-E245 VanDerWaalsContact OG-CG 3.25Å; S242-E245 WeakPolarHBondContact OG-CG 3.33Å; S242-E245 PolarHBondContact OG-N 3.1Å; S242-E245 PolarHBondContact OG-OE2 2.98Å; S242-E245 VanDerWaalsContact OG-OE2 3.12Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.21Å; E245-K248 PolarHBondContact O-N 3.19Å; E245-E249 WeakPolarHBondContact O-CB 3.45Å; E245-E249 PolarHBondContact O-N 3.05Å
246K97.3Very high96.1Very high42 Ų42104.6 Ų104.618%0.18349%0.491CS..Hα-helixtrans-59.1-45.8176.1-68.7179.8-180-171.70111.5V235 E236 D238 K241 S242 E243 K248 E249 I250V235-K246 HydrophobicContact CG1-CB 3.89Å; V235-K246 HydrophobicContact CG1-CG 3.91Å; V235-K246 WeakPolarHBondContact O-CD 3.28Å; V235-K246 VanDerWaalsContact O-CE 3.24Å; V235-K246 WeakPolarHBondContact O-CE 3.39Å; E236-K246 PolarHBondContact O-NZ 3.15Å; D238-K246 WeakPolarHBondContact O-CE 3.31Å; D238-K246 PolarHBondContact O-NZ 3.21Å; K241-K246 HydrophobicContact CB-CG 3.85Å; K241-K246 WeakPolarHBondContact O-CE 3.45Å; S242-K246 WeakPolarHBondContact O-CG 3.32Å; S242-K246 PolarHBondContact O-N 2.87Å; E243-K246 PolarHBondContact O-N 2.93Å; K246-K248 PolarHBondContact O-N 2.85Å; K246-E249 PolarHBondContact O-N 3.32Å; K246-I250 WeakPolarHBondContact O-CB 3.26Å; K246-I250 VanDerWaalsContact O-CG1 3.28Å; K246-I250 WeakPolarHBondContact O-CG1 3.49Å; K246-I250 PolarHBondContact O-N 2.82Å
247E96.8Very high96.3Very high138 Ų138101.3 Ų101.365%0.64547%0.474SS*.Hα-helixtrans-61.2-45.4179-170.1-175.6168.100111.8E243 E245 E249 I250 K251E243-E247 PolarHBondContact O-N 3.37Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.21Å; E247-E249 VanDerWaalsContact C-N 3.33Å; E247-E249 PolarHBondContact O-N 3.07Å; E247-I250 PolarHBondContact O-N 2.93Å; E247-K251 WeakPolarHBondContact O-CB 3.29Å; E247-K251 PolarHBondContact O-N 3.06Å
248K97.5Very high96.3Very high126 Ų126100.2 Ų100.255%0.54847%0.472SS..Hα-helixtrans-61.4-41.9177.7-74.9169.7-171.4161.80111.8E244 E245 K246 K251 L252E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.35Å; E244-K248 PolarHBondContact O-N 3.09Å; E244-K248 WeakPolarHBondContact OE1-CE 3.12Å; E244-K248 IonicContact OE1-NZ 3.84Å; E244-K248 PolarHBondContact OE1-NZ 3.21Å; E245-K248 PolarHBondContact O-N 3.19Å; K246-K248 PolarHBondContact O-N 2.85Å; K248-K251 PolarHBondContact O-N 2.83Å; K248-L252 PolarHBondContact O-N 3.37Å; K248-L252 VanDerWaalsContact O-N 3.08Å
249E97.5Very high96.4Very high67 Ų67104 Ų10431%0.31349%0.488SS..Hα-helixtrans-70.2-45.3179.9-165.8170.6-165.500111.9V235 K241 E245 K246 E247 K251 L252 L253V235-E249 HydrophobicContact CG1-CB 4.28Å; V235-E249 HydrophobicContact CG2-CG 4.06Å; K241-E249 WeakPolarHBondContact CD-OE2 3.39Å; K241-E249 WeakPolarHBondContact CE-OE2 3.38Å; K241-E249 IonicContact NZ-OE1 3.74Å; K241-E249 PolarHBondContact NZ-OE1 3.17Å; K241-E249 IonicContact NZ-OE2 2.77Å; K241-E249 PolarHBondContact NZ-OE2 3.48Å; E245-E249 WeakPolarHBondContact O-CB 3.45Å; E245-E249 PolarHBondContact O-N 3.05Å; K246-E249 PolarHBondContact O-N 3.32Å; E247-E249 VanDerWaalsContact C-N 3.33Å; E247-E249 PolarHBondContact O-N 3.07Å; E249-K251 PolarHBondContact O-N 3.43Å; E249-L252 WeakPolarHBondContact O-CA 3.39Å; E249-L252 WeakPolarHBondContact O-CB 3.34Å; E249-L252 PolarHBondContact O-N 3.31Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.37Å
250I97.9Very high96.6Very high26 Ų2697.6 Ų97.613%0.13346%0.46CS..Hα-helixtrans-58-39.7173.9-70.2169.6000110.9I232 V235 E236 K246 E247 L252 L253 K254I232-I250 HydrophobicContact CD1-CG2 4.09Å; I232-I250 HydrophobicContact CG1-CG1 4.3Å; I232-I250 HydrophobicContact CG1-CG2 4.16Å; I232-I250 HydrophobicContact CG2-CD1 4.12Å; I232-I250 HydrophobicContact CG2-CG1 4.3Å; V235-I250 HydrophobicContact CB-CG1 4.37Å; V235-I250 HydrophobicContact CG1-CD1 4.37Å; V235-I250 HydrophobicContact CG1-CG1 4.03Å; E236-I250 HydrophobicContact CG-CD1 4.09Å; K246-I250 WeakPolarHBondContact O-CB 3.26Å; K246-I250 VanDerWaalsContact O-CG1 3.28Å; K246-I250 WeakPolarHBondContact O-CG1 3.49Å; K246-I250 PolarHBondContact O-N 2.82Å; E247-I250 PolarHBondContact O-N 2.93Å; I250-L252 VanDerWaalsContact C-N 3.33Å; I250-L252 PolarHBondContact O-N 3.17Å; I250-L253 PolarHBondContact O-N 2.86Å; I250-K254 HydrophobicContact CG2-CD 4.29Å; I250-K254 WeakPolarHBondContact O-CG 3.47Å; I250-K254 PolarHBondContact O-N 3.3Å
251K98.1Very high96.8Very high156 Ų15690.5 Ų90.568%0.67843%0.428SS*.Hα-helixtrans-62.7-40.1175.7-170.5176.2-177.9175.90111.8E247 K248 E249 K254 L255E247-K251 WeakPolarHBondContact O-CB 3.29Å; E247-K251 PolarHBondContact O-N 3.06Å; K248-K251 PolarHBondContact O-N 2.83Å; E249-K251 PolarHBondContact O-N 3.43Å; K251-K254 PolarHBondContact O-N 2.99Å; K251-L255 PolarHBondContact O-N 3.25Å
252L98Very high97Very high114 Ų11496 Ų9660%0.59745%0.452SS*.Hα-helixtrans-66.7-40.9175.5-172.966.2000112K248 E249 I250 K254 L255 K256K248-L252 PolarHBondContact O-N 3.37Å; K248-L252 VanDerWaalsContact O-N 3.08Å; E249-L252 WeakPolarHBondContact O-CA 3.39Å; E249-L252 WeakPolarHBondContact O-CB 3.34Å; E249-L252 PolarHBondContact O-N 3.31Å; I250-L252 VanDerWaalsContact C-N 3.33Å; I250-L252 PolarHBondContact O-N 3.17Å; L252-K254 PolarHBondContact O-N 3.12Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-K256 PolarHBondContact O-N 2.72Å
253L98.1Very high97Very high27 Ų2796.3 Ų96.314%0.14145%0.449CS..Hα-helixtrans-60.6-44.4175.3-65.9179.3000111.6L228 E231 I232 V235 E249 I250 L255 K256 Y257L228-L253 HydrophobicContact CD1-CB 3.78Å; E231-L253 HydrophobicContact CB-CD1 3.79Å; E231-L253 HydrophobicContact CB-CD2 4.41Å; E231-L253 WeakPolarHBondContact OE2-CD2 3.45Å; I232-L253 HydrophobicContact CG1-CD1 4.23Å; V235-L253 HydrophobicContact CG2-CD1 4.17Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.37Å; I250-L253 PolarHBondContact O-N 2.86Å; L253-L255 PolarHBondContact O-N 2.98Å; L253-K256 PolarHBondContact O-N 3.43Å; L253-Y257 PolarHBondContact O-N 3.02Å
254K97.9Very high97.1Very high108 Ų10888.2 Ų88.247%0.4741%0.412SS..Hα-helixtrans-61.9-41.6175.6-73.5177.6178177.90112.2L228 I250 K251 L252 K256 Y257 D258L228-K254 HydrophobicContact CD2-CG 4.49Å; I250-K254 HydrophobicContact CG2-CD 4.29Å; I250-K254 WeakPolarHBondContact O-CG 3.47Å; I250-K254 PolarHBondContact O-N 3.3Å; K251-K254 PolarHBondContact O-N 2.99Å; L252-K254 PolarHBondContact O-N 3.12Å; K254-K256 VanDerWaalsContact C-N 3.35Å; K254-K256 PolarHBondContact O-N 3.47Å; K254-Y257 WeakPolarHBondContact O-CB 3.46Å; K254-Y257 PolarHBondContact O-N 3.12Å; K254-D258 PolarHBondContact O-N 3.01Å
255L97.9Very high97.1Very high112 Ų11285 Ų8559%0.58640%0.395SS*.Hα-helixtrans-60.6-43.8175.9-174.468.6000111.9K251 L252 L253 Y257 D258 E259K251-L255 PolarHBondContact O-N 3.25Å; L252-L255 PolarHBondContact O-N 2.97Å; L253-L255 PolarHBondContact O-N 2.98Å; L255-Y257 VanDerWaalsContact C-N 3.35Å; L255-D258 PolarHBondContact O-N 3.3Å; L255-E259 PolarHBondContact O-N 2.79Å
256K97Very high97.1Very high105 Ų10584.6 Ų84.646%0.45739%0.393SS..Hα-helixtrans-65.7-37176.2-175.6-177.3177.6-170.10112.2L252 L253 K254 K260L252-K256 PolarHBondContact O-N 2.72Å; L253-K256 PolarHBondContact O-N 3.43Å; K254-K256 VanDerWaalsContact C-N 3.35Å; K254-K256 PolarHBondContact O-N 3.47Å; K256-K260 WeakPolarHBondContact O-CG 3.4Å; K256-K260 PolarHBondContact O-N 3.34Å; K256-K260 VanDerWaalsContact O-N 3.09Å
257Y97.7Very high97Very high47 Ų4785.1 Ų85.118%0.18440%0.395CS..Hα-helixtrans-62.8-47.5172.9167.9-93.4000111.3T225 L228 L253 K254 L255 E259 K260 I261T225-Y257 PolarHBondContact OG1-OH 3.44Å; L228-Y257 HydrophobicContact CB-CD2 4.21Å; L228-Y257 HydrophobicContact CD2-CD1 4.08Å; L228-Y257 HydrophobicContact CD2-CD2 3.97Å; L228-Y257 HydrophobicContact CD2-CG 3.73Å; L253-Y257 PolarHBondContact O-N 3.02Å; K254-Y257 WeakPolarHBondContact O-CB 3.46Å; K254-Y257 PolarHBondContact O-N 3.12Å; L255-Y257 VanDerWaalsContact C-N 3.35Å; Y257-E259 VanDerWaalsContact C-N 3.27Å; Y257-E259 PolarHBondContact O-N 3.32Å; Y257-K260 WeakPolarHBondContact O-CB 3.42Å; Y257-K260 PolarHBondContact O-N 2.74Å; Y257-K260 VanDerWaalsContact O-N 3.1Å; Y257-I261 HydrophobicContact CD1-CG1 4.13Å; Y257-I261 HydrophobicContact CD2-CG1 4.24Å; Y257-I261 HydrophobicContact CE1-CD1 4.46Å; Y257-I261 HydrophobicContact CE1-CG1 3.67Å; Y257-I261 HydrophobicContact CE2-CD1 3.86Å; Y257-I261 HydrophobicContact CE2-CG1 3.77Å; Y257-I261 HydrophobicContact CG-CG1 4.4Å; Y257-I261 VanDerWaalsContact CZ-CG1 3.47Å; Y257-I261 WeakPolarHBondContact O-CG1 3.44Å; Y257-I261 PolarHBondContact O-N 3.08Å
258D97.5Very high97Very high97 Ų9778.5 Ų78.552%0.51937%0.365SS..Hα-helixtrans-60.6-38179.1-69.7-20.8000111.6K254 L255 I261 K262K254-D258 PolarHBondContact O-N 3.01Å; L255-D258 PolarHBondContact O-N 3.3Å; D258-I261 PolarHBondContact O-N 2.92Å; D258-K262 WeakPolarHBondContact O-CB 3.23Å; D258-K262 PolarHBondContact O-N 2.77Å
259E97Very high97Very high125 Ų12573.8 Ų73.858%0.58435%0.345SS*.Hα-helixtrans-62.7-45.6172.9-172.5-179.1-175.800112.3L255 Y257 I261 K262 N263L255-E259 PolarHBondContact O-N 2.79Å; Y257-E259 VanDerWaalsContact C-N 3.27Å; Y257-E259 PolarHBondContact O-N 3.32Å; E259-I261 VanDerWaalsContact C-N 3.32Å; E259-I261 PolarHBondContact O-N 2.92Å; E259-K262 PolarHBondContact O-N 3.36Å; E259-N263 PolarHBondContact O-N 3.33Å; E259-N263 VanDerWaalsContact O-N 3.15Å
260K96.5Very high96.9Very high63 Ų6377.4 Ų77.427%0.27436%0.355SS..Hα-helixtrans-61.3-39.7175.3-76.6179.9174-179.40112.3Y224 K256 Y257 N263 I264Y224-K260 HydrophobicContact CD1-CD 4.01Å; Y224-K260 HydrophobicContact CD2-CB 3.78Å; Y224-K260 HydrophobicContact CD2-CD 4.22Å; Y224-K260 HydrophobicContact CE1-CD 4.13Å; Y224-K260 HydrophobicContact CE2-CB 3.79Å; Y224-K260 HydrophobicContact CE2-CD 4.34Å; Y224-K260 HydrophobicContact CE2-CG 4.43Å; Y224-K260 HydrophobicContact CG-CB 4.39Å; Y224-K260 HydrophobicContact CG-CD 4.06Å; K256-K260 WeakPolarHBondContact O-CG 3.4Å; K256-K260 PolarHBondContact O-N 3.34Å; K256-K260 VanDerWaalsContact O-N 3.09Å; Y257-K260 WeakPolarHBondContact O-CB 3.42Å; Y257-K260 PolarHBondContact O-N 2.74Å; Y257-K260 VanDerWaalsContact O-N 3.1Å; K260-N263 PolarHBondContact O-N 2.74Å; K260-I264 PolarHBondContact O-N 2.7Å; K260-I264 VanDerWaalsContact O-N 3.16Å
261I97.3Very high96.7Very high32 Ų3279 Ų7916%0.16436%0.364CS..Hα-helixtrans-68-39.3177.6-67-61000111R221 Y224 Y257 D258 E259 N263 I264R221-I261 HydrophobicContact CB-CD1 4.32Å; R221-I261 HydrophobicContact CG-CD1 3.92Å; Y224-I261 HydrophobicContact CD2-CD1 4.25Å; Y257-I261 HydrophobicContact CD1-CG1 4.13Å; Y257-I261 HydrophobicContact CD2-CG1 4.24Å; Y257-I261 HydrophobicContact CE1-CD1 4.46Å; Y257-I261 HydrophobicContact CE1-CG1 3.67Å; Y257-I261 HydrophobicContact CE2-CD1 3.86Å; Y257-I261 HydrophobicContact CE2-CG1 3.77Å; Y257-I261 HydrophobicContact CG-CG1 4.4Å; Y257-I261 VanDerWaalsContact CZ-CG1 3.47Å; Y257-I261 WeakPolarHBondContact O-CG1 3.44Å; Y257-I261 PolarHBondContact O-N 3.08Å; D258-I261 PolarHBondContact O-N 2.92Å; E259-I261 VanDerWaalsContact C-N 3.32Å; E259-I261 PolarHBondContact O-N 2.92Å; I261-N263 VanDerWaalsContact C-N 3.29Å; I261-N263 PolarHBondContact O-N 3.08Å; I261-I264 HydrophobicContact CD1-CD1 4.21Å; I261-I264 VanDerWaalsContact O-CB 3.32Å; I261-I264 WeakPolarHBondContact O-CB 3.03Å; I261-I264 WeakPolarHBondContact O-CG2 3.11Å; I261-I264 PolarHBondContact O-N 3.5Å
262K95.3Very high96.7Very high179 Ų17972 Ų7278%0.77833%0.334SS*.Hα-helixtrans-61.1-38.2176.1-172.5178.1177.7-177.10112.2D258 E259D258-K262 WeakPolarHBondContact O-CB 3.23Å; D258-K262 PolarHBondContact O-N 2.77Å; E259-K262 PolarHBondContact O-N 3.36Å
263N95.2Very high96.6Very high60 Ų6068.7 Ų68.732%0.32132%0.315SS..THydrogen-bonded Turntrans-95.411.9-177.7-58.4-19.2000113.3E259 K260 I261 R265 E266 E267E259-N263 PolarHBondContact O-N 3.33Å; E259-N263 VanDerWaalsContact O-N 3.15Å; K260-N263 PolarHBondContact O-N 2.74Å; I261-N263 VanDerWaalsContact C-N 3.29Å; I261-N263 PolarHBondContact O-N 3.08Å; N263-R265 VanDerWaalsContact C-N 3.28Å; N263-R265 PolarHBondContact O-N 2.94Å; N263-E266 PolarHBondContact O-N 3.01Å; N263-E267 PolarHBondContact O-N 3.27Å
264I97.3Very high96.6Very high7 Ų775 Ų754%0.03634%0.341CS..Hα-helixtrans-62.9-35.2-172.1-160.7169.3000112.9E217 L220 R221 Y224 K260 I261 E267 A268E217-I264 HydrophobicContact CB-CD1 4.39Å; E217-I264 HydrophobicContact CB-CG1 4.46Å; E217-I264 HydrophobicContact CG-CG1 4.42Å; E217-I264 HydrophobicContact CG-CG2 4.2Å; E217-I264 WeakPolarHBondContact O-CD1 3.13Å; L220-I264 HydrophobicContact CB-CD1 3.87Å; L220-I264 HydrophobicContact CB-CG1 3.88Å; L220-I264 HydrophobicContact CD1-CG1 4.2Å; R221-I264 HydrophobicContact CB-CD1 3.86Å; Y224-I264 HydrophobicContact CE2-CG1 4.43Å; K260-I264 PolarHBondContact O-N 2.7Å; K260-I264 VanDerWaalsContact O-N 3.16Å; I261-I264 HydrophobicContact CD1-CD1 4.21Å; I261-I264 VanDerWaalsContact O-CB 3.32Å; I261-I264 WeakPolarHBondContact O-CB 3.03Å; I261-I264 WeakPolarHBondContact O-CG2 3.11Å; I261-I264 PolarHBondContact O-N 3.5Å; I264-E267 PolarHBondContact O-N 3.37Å; I264-A268 WeakPolarHBondContact O-CB 3.47Å; I264-A268 PolarHBondContact O-N 3.2Å
265R95.8Very high96.5Very high54 Ų5473.6 Ų73.620%0.20434%0.339CS..Hα-helixtrans-60.2-47.7178-177.767174.9-163.5-7.6110.9E210 L213 E217 N263 E267 A268 E269E210-R265 IonicContact OE1-NH1 3.83Å; E210-R265 PolarHBondContact OE1-NH1 2.97Å; E210-R265 IonicContact OE1-NH2 2.65Å; E210-R265 IonicContact OE2-CZ 2.66Å; E210-R265 IonicContact OE2-NH1 3.08Å; E210-R265 IonicContact OE2-NH2 3.26Å; E210-R265 PolarHBondContact OE2-NH2 3.26Å; L213-R265 VanDerWaalsContact CB-NH1 3.25Å; L213-R265 VanDerWaalsContact CD1-CZ 3.41Å; E217-R265 WeakPolarHBondContact OE1-CD 3.24Å; E217-R265 IonicContact OE1-CZ 3.28Å; E217-R265 IonicContact OE1-NE 3.81Å; E217-R265 IonicContact OE1-NH1 2.72Å; E217-R265 PolarHBondContact OE1-NH1 3.4Å; N263-R265 VanDerWaalsContact C-N 3.28Å; N263-R265 PolarHBondContact O-N 2.94Å; R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 PolarHBondContact O-N 2.91Å; R265-A268 WeakPolarHBondContact O-CB 3.38Å; R265-A268 PolarHBondContact O-N 3.18Å; R265-A268 VanDerWaalsContact O-N 3.12Å; R265-E269 HydrophobicContact CG-CG 4.46Å; R265-E269 IonicContact NE-OE1 3.12Å; R265-E269 VanDerWaalsContact O-CG 3.28Å; R265-E269 WeakPolarHBondContact O-CG 3.38Å; R265-E269 PolarHBondContact O-N 3.25Å
266E94.9Very high96.4Very high92 Ų9268.3 Ų68.343%0.4331%0.311SS..Hα-helixtrans-63-36.5-179.2-59.7176.9-177.700112.2N263 R270N263-E266 PolarHBondContact O-N 3.01Å; E266-R270 WeakPolarHBondContact O-CG 3.42Å; E266-R270 PolarHBondContact O-N 2.9Å; E266-R270 PolarHBondContact O-NH1 2.89Å
267E95.8Very high96.4Very high52 Ų5264.7 Ų64.724%0.24330%0.296CS..Hα-helixtrans-71-37.7174.7-175.159.2-151.200111.8L220 N263 I264 R265 R270 N271L220-E267 HydrophobicContact CD1-CB 4.1Å; L220-E267 HydrophobicContact CD1-CG 3.79Å; L220-E267 HydrophobicContact CD2-CG 4.3Å; N263-E267 PolarHBondContact O-N 3.27Å; I264-E267 PolarHBondContact O-N 3.37Å; R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 PolarHBondContact O-N 2.91Å; E267-R270 PolarHBondContact O-N 3.45Å; E267-R270 IonicContact OE2-CZ 2.8Å; E267-R270 VanDerWaalsContact OE2-CZ 3.26Å; E267-R270 IonicContact OE2-NE 2.86Å; E267-R270 PolarHBondContact OE2-NE 3.3Å; E267-R270 VanDerWaalsContact OE2-NE 3.08Å; E267-R270 IonicContact OE2-NH2 3.37Å; E267-R270 PolarHBondContact OE2-NH2 3.34Å; E267-N271 WeakPolarHBondContact O-CB 3.31Å; E267-N271 PolarHBondContact O-N 3.45Å; E267-N271 VanDerWaalsContact O-N 3.15Å; E267-N271 PolarHBondContact O-ND2 2.9Å; E267-N271 PolarHBondContact OE1-ND2 3.22Å; E267-N271 VanDerWaalsContact OE1-ND2 3.14Å
268A97.1Very high96.4Very high0 Ų067.1 Ų67.10%031%0.312CS..Hα-helixtrans-63-45.8172.800000111.5L213 R216 E217 L220 I264 R265 R270 N271 I272L213-A268 HydrophobicContact CD2-CB 3.98Å; R216-A268 HydrophobicContact CB-CB 4.07Å; R216-A268 HydrophobicContact CG-CB 3.9Å; E217-A268 HydrophobicContact CG-CB 3.79Å; L220-A268 HydrophobicContact CD1-CB 4.33Å; I264-A268 WeakPolarHBondContact O-CB 3.47Å; I264-A268 PolarHBondContact O-N 3.2Å; R265-A268 WeakPolarHBondContact O-CB 3.38Å; R265-A268 PolarHBondContact O-N 3.18Å; R265-A268 VanDerWaalsContact O-N 3.12Å; A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 2.88Å; A268-N271 PolarHBondContact O-N 3.23Å; A268-I272 WeakPolarHBondContact O-CG1 3.32Å; A268-I272 PolarHBondContact O-N 2.95Å
269E96.6Very high96.3Very high27 Ų2766.3 Ų66.313%0.12630%0.301CS..Hα-helixtrans-54.6-44.1176.7-72.6179.7-163.500112.4K49 I86 L213 R265K49-E269 IonicContact NZ-OE1 3.78Å; K49-E269 PolarHBondContact NZ-OE1 3.03Å; K49-E269 IonicContact NZ-OE2 2.98Å; K49-E269 PolarHBondContact NZ-OE2 2.97Å; I86-E269 HydrophobicContact CG2-CB 3.41Å; I86-E269 VanDerWaalsContact CG2-CB 3.41Å; I86-E269 HydrophobicContact CG2-CG 3.42Å; I86-E269 VanDerWaalsContact CG2-CG 3.42Å; L213-E269 HydrophobicContact CD2-CB 4.4Å; L213-E269 HydrophobicContact CD2-CG 3.88Å; R265-E269 HydrophobicContact CG-CG 4.46Å; R265-E269 IonicContact NE-OE1 3.12Å; R265-E269 VanDerWaalsContact O-CG 3.28Å; R265-E269 WeakPolarHBondContact O-CG 3.38Å; R265-E269 PolarHBondContact O-N 3.25Å
270R95.3Very high96.2Very high142 Ų14260.3 Ų60.354%0.53627%0.274SS..Hα-helixtrans-63.8-41.5174.8-72.2-175.3-71.8-90.19.5112.4E266 E267 A268 F273E266-R270 WeakPolarHBondContact O-CG 3.42Å; E266-R270 PolarHBondContact O-N 2.9Å; E266-R270 PolarHBondContact O-NH1 2.89Å; E267-R270 PolarHBondContact O-N 3.45Å; E267-R270 IonicContact OE2-CZ 2.8Å; E267-R270 VanDerWaalsContact OE2-CZ 3.26Å; E267-R270 IonicContact OE2-NE 2.86Å; E267-R270 PolarHBondContact OE2-NE 3.3Å; E267-R270 VanDerWaalsContact OE2-NE 3.08Å; E267-R270 IonicContact OE2-NH2 3.37Å; E267-R270 PolarHBondContact OE2-NH2 3.34Å; A268-R270 VanDerWaalsContact C-N 3.32Å; A268-R270 PolarHBondContact O-N 2.88Å; R270-F273 WeakPolarHBondContact O-CB 3.43Å
271N95.3Very high96.2Very high61 Ų6161.9 Ų61.933%0.32628%0.278SS..Hα-helixtrans-73.9-36.3-172.5-74.7-33.6000113.4R216 E267 A268 F273R216-N271 HydrophobicContact CG-CB 4.11Å; R216-N271 PolarHBondContact NE-ND2 3.31Å; R216-N271 PolarHBondContact NH2-ND2 3.26Å; R216-N271 VanDerWaalsContact NH2-ND2 3.16Å; E267-N271 WeakPolarHBondContact O-CB 3.31Å; E267-N271 PolarHBondContact O-N 3.45Å; E267-N271 VanDerWaalsContact O-N 3.15Å; E267-N271 PolarHBondContact O-ND2 2.9Å; E267-N271 PolarHBondContact OE1-ND2 3.22Å; E267-N271 VanDerWaalsContact OE1-ND2 3.14Å; A268-N271 PolarHBondContact O-N 3.23Å; N271-F273 VanDerWaalsContact C-N 3.28Å; N271-F273 PolarHBondContact O-N 3.05Å
272I96.7Very high96Very high8 Ų867.2 Ų67.24%0.04130%0.3CS..THydrogen-bonded Turntrans-83.1-4.2-178.965.7144.8000113.7I86 T209 R212 L213 R216 A268 K274 D275 V276I86-I272 HydrophobicContact CD1-CD1 4.29Å; I86-I272 HydrophobicContact CD1-CG1 4.31Å; I86-I272 HydrophobicContact CG1-CD1 4.04Å; T209-I272 HydrophobicContact CG2-CD1 3.71Å; R212-I272 HydrophobicContact CB-CG2 4.26Å; L213-I272 HydrophobicContact CD1-CD1 4.19Å; L213-I272 HydrophobicContact CD2-CD1 3.46Å; L213-I272 VanDerWaalsContact CD2-CD1 3.46Å; L213-I272 HydrophobicContact CD2-CG1 3.71Å; L213-I272 HydrophobicContact CG-CD1 3.5Å; L213-I272 VanDerWaalsContact CG-CD1 3.5Å; L213-I272 HydrophobicContact CG-CG1 4.28Å; R216-I272 HydrophobicContact CB-CG2 3.98Å; R216-I272 HydrophobicContact CG-CG2 4.26Å; A268-I272 WeakPolarHBondContact O-CG1 3.32Å; A268-I272 PolarHBondContact O-N 2.95Å; I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 3.1Å; I272-D275 PolarHBondContact O-N 3.15Å; I272-D275 VanDerWaalsContact O-N 3.1Å; I272-V276 HydrophobicContact CD1-CG2 3.87Å; I272-V276 PolarHBondContact O-N 2.98Å
273F97.1Very high95.9Very high44 Ų4461.8 Ų61.819%0.19328%0.278CS..Hα-helixtrans-53.6-43.1-172.4175.6-107.7000113.8K79 R83 I86 R270 N271 D275 V276 F277K79-F273 HydrophobicContact CB-CZ 4.03Å; K79-F273 HydrophobicContact CG-CZ 3.94Å; R83-F273 HydrophobicContact CG-CD2 4.01Å; R83-F273 HydrophobicContact CG-CE2 3.51Å; R83-F273 HydrophobicContact CG-CZ 4.36Å; I86-F273 HydrophobicContact CD1-CB 4.32Å; I86-F273 HydrophobicContact CD1-CD2 4.02Å; R270-F273 WeakPolarHBondContact O-CB 3.43Å; N271-F273 VanDerWaalsContact C-N 3.28Å; N271-F273 PolarHBondContact O-N 3.05Å; F273-D275 VanDerWaalsContact C-N 3.32Å; F273-D275 PolarHBondContact O-N 3.39Å; F273-V276 PolarHBondContact O-N 2.95Å; F273-F277 VanDerWaalsContact O-CB 3.27Å; F273-F277 WeakPolarHBondContact O-CB 2.93Å; F273-F277 PolarHBondContact O-N 3.3Å
274K96.5Very high95.7Very high159 Ų15958.9 Ų58.969%0.69126%0.263SS*.Hα-helixtrans-64.2-37-178.4-71.2-176.1179.8177.80112.5I272 F277 N278I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 3.1Å; K274-F277 PolarHBondContact O-N 3.11Å; K274-N278 WeakPolarHBondContact O-CB 3.36Å; K274-N278 PolarHBondContact O-N 2.6Å; K274-N278 PolarHBondContact O-ND2 2.72Å
275D95.9Very high95.6Very high79 Ų7961.1 Ų61.142%0.42228%0.278SS..Hα-helixtrans-68.5-46.7-178.7-65-5.3000110.5R212 I272 F273 F277 N278 R279R212-D275 IonicContact NH1-OD2 2.57Å; I272-D275 PolarHBondContact O-N 3.15Å; I272-D275 VanDerWaalsContact O-N 3.1Å; F273-D275 VanDerWaalsContact C-N 3.32Å; F273-D275 PolarHBondContact O-N 3.39Å; D275-F277 VanDerWaalsContact C-N 3.34Å; D275-F277 PolarHBondContact O-N 3.02Å; D275-N278 PolarHBondContact O-N 3.3Å; D275-R279 PolarHBondContact O-N 3.14Å; D275-R279 VanDerWaalsContact O-N 3.12Å
276V96.5Very high95.3Very high1 Ų164.9 Ų64.91%0.00630%0.299CS..Hα-helixtrans-63.6-42.4175.9-175.10000110.3S82 I86 T209 I272 F273 N278 R279 I280S82-V276 PolarHBondContact OG-O 3.48Å; I86-V276 HydrophobicContact CD1-CB 4.1Å; I86-V276 HydrophobicContact CD1-CG1 4.43Å; I86-V276 HydrophobicContact CD1-CG2 3.96Å; I86-V276 HydrophobicContact CG1-CB 4.41Å; I86-V276 HydrophobicContact CG1-CG1 4.37Å; I86-V276 HydrophobicContact CG1-CG2 4.01Å; T209-V276 HydrophobicContact CG2-CG2 3.76Å; I272-V276 HydrophobicContact CD1-CG2 3.87Å; I272-V276 PolarHBondContact O-N 2.98Å; F273-V276 PolarHBondContact O-N 2.95Å; V276-N278 PolarHBondContact O-N 3.49Å; V276-R279 PolarHBondContact O-N 3.35Å; V276-I280 HydrophobicContact CG1-CG1 4.36Å; V276-I280 WeakPolarHBondContact O-CG1 3.39Å; V276-I280 PolarHBondContact O-N 2.91Å
277F97.4Very high95.1Very high30 Ų3061.8 Ų61.813%0.13229%0.285CS..Hα-helixtrans-56.8-49.2175.5174.4-94.5000111.9D75 C78 K79 S82 F273 K274 D275 R279 I280 W281D75-F277 WeakPolarHBondContact OD1-CZ 3.07Å; C78-F277 HydrophobicContact CB-CD2 3.92Å; C78-F277 HydrophobicContact CB-CE2 3.54Å; C78-F277 HydrophobicContact CB-CZ 4.4Å; K79-F277 HydrophobicContact CG-CD2 3.75Å; K79-F277 HydrophobicContact CG-CE2 3.56Å; S82-F277 VanDerWaalsContact OG-CA 3.25Å; S82-F277 WeakPolarHBondContact OG-CA 3.07Å; S82-F277 PolarHBondContact OG-N 3.47Å; F273-F277 VanDerWaalsContact O-CB 3.27Å; F273-F277 WeakPolarHBondContact O-CB 2.93Å; F273-F277 PolarHBondContact O-N 3.3Å; K274-F277 PolarHBondContact O-N 3.11Å; D275-F277 VanDerWaalsContact C-N 3.34Å; D275-F277 PolarHBondContact O-N 3.02Å; F277-R279 VanDerWaalsContact C-N 3.28Å; F277-R279 PolarHBondContact O-N 3.33Å; F277-I280 PolarHBondContact O-N 2.95Å; F277-W281 HydrophobicContact CE1-CB 4.45Å; F277-W281 HydrophobicContact CE1-CD2 4.48Å; F277-W281 HydrophobicContact CE1-CE3 4.05Å; F277-W281 HydrophobicContact CE2-CE3 4.05Å; F277-W281 HydrophobicContact CZ-CD2 4.25Å; F277-W281 AromaticContact CZ-CE3 3.41Å; F277-W281 HydrophobicContact CZ-CE3 3.41Å; F277-W281 VanDerWaalsContact CZ-CE3 3.41Å; F277-W281 AromaticContact CZ-CZ3 3.89Å; F277-W281 HydrophobicContact CZ-CZ3 3.89Å; F277-W281 VanDerWaalsContact O-CB 3.24Å; F277-W281 WeakPolarHBondContact O-CB 3.47Å; F277-W281 PolarHBondContact O-N 3.36Å
278N96.9Very high94.7Very high98 Ų9860.9 Ų60.952%0.52428%0.279SS..Hα-helixtrans-62.3-37.3-179.6-69.8-21.8000112.1K274 D275 V276 K282K274-N278 WeakPolarHBondContact O-CB 3.36Å; K274-N278 PolarHBondContact O-N 2.6Å; K274-N278 PolarHBondContact O-ND2 2.72Å; D275-N278 PolarHBondContact O-N 3.3Å; V276-N278 PolarHBondContact O-N 3.49Å; N278-K282 PolarHBondContact O-N 2.9Å
279R95.6Very high94.3Very high79 Ų7966.7 Ų66.730%0.29831%0.306SS..Hα-helixtrans-64.6-49.2175.8-176.8173.1177160.6-4.2111.7D204 D208 D275 V276 F277 W281 K282 M283D204-R279 VanDerWaalsContact C-NH2 3.34Å; D204-R279 PolarHBondContact O-NH1 3.37Å; D204-R279 PolarHBondContact O-NH2 3.07Å; D208-R279 IonicContact OD1-NH1 3.28Å; D208-R279 IonicContact OD2-CZ 3.5Å; D208-R279 IonicContact OD2-NH1 3.12Å; D208-R279 PolarHBondContact OD2-NH1 2.95Å; D275-R279 PolarHBondContact O-N 3.14Å; D275-R279 VanDerWaalsContact O-N 3.12Å; V276-R279 PolarHBondContact O-N 3.35Å; F277-R279 VanDerWaalsContact C-N 3.28Å; F277-R279 PolarHBondContact O-N 3.33Å; R279-W281 VanDerWaalsContact C-N 3.34Å; R279-K282 PolarHBondContact O-N 3.45Å; R279-M283 PolarHBondContact O-N 2.83Å
280I95.1Very high93.8Very high0 Ų074 Ų740%033%0.332CS..Hα-helixtrans-64.6-40.6177.8-62.7-55.4000111C78 I81 I85 V118 I205 V276 F277 K282 M283 L284C78-I280 HydrophobicContact CB-CG2 4.18Å; I81-I280 HydrophobicContact CB-CG2 4.23Å; I81-I280 HydrophobicContact CG2-CD1 4.22Å; I81-I280 HydrophobicContact CG2-CG1 4.28Å; I81-I280 HydrophobicContact CG2-CG2 3.97Å; I85-I280 HydrophobicContact CD1-CD1 3.64Å; I85-I280 HydrophobicContact CD1-CG1 4.12Å; V118-I280 HydrophobicContact CG1-CD1 4.24Å; I205-I280 HydrophobicContact CD1-CD1 4.27Å; I205-I280 HydrophobicContact CG2-CD1 4.26Å; V276-I280 HydrophobicContact CG1-CG1 4.36Å; V276-I280 WeakPolarHBondContact O-CG1 3.39Å; V276-I280 PolarHBondContact O-N 2.91Å; F277-I280 PolarHBondContact O-N 2.95Å; I280-K282 VanDerWaalsContact C-N 3.33Å; I280-K282 PolarHBondContact O-N 2.94Å; I280-M283 PolarHBondContact O-N 3.15Å; I280-L284 HydrophobicContact CG2-CD1 3.76Å; I280-L284 HydrophobicContact CG2-CG 4.09Å; I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 3.3Å
281W96.2Very high93.2Very high96 Ų9668.2 Ų68.236%0.36431%0.311SS..Hα-helixtrans-57.2-46.8175.9-176.3-84.8000111.7L74 D75 C78 F277 R279 M283 L284 S285L74-W281 HydrophobicContact CD2-CH2 4.11Å; L74-W281 HydrophobicContact CD2-CZ2 4.06Å; L74-W281 HydrophobicContact CD2-CZ3 4.42Å; L74-W281 HydrophobicContact CG-CE3 4.33Å; L74-W281 HydrophobicContact CG-CH2 4.22Å; L74-W281 HydrophobicContact CG-CZ3 4.1Å; D75-W281 HydrophobicContact CB-CH2 4.36Å; D75-W281 HydrophobicContact CB-CZ3 3.78Å; C78-W281 HydrophobicContact CB-CE3 4.15Å; F277-W281 HydrophobicContact CE1-CB 4.45Å; F277-W281 HydrophobicContact CE1-CD2 4.48Å; F277-W281 HydrophobicContact CE1-CE3 4.05Å; F277-W281 HydrophobicContact CE2-CE3 4.05Å; F277-W281 HydrophobicContact CZ-CD2 4.25Å; F277-W281 AromaticContact CZ-CE3 3.41Å; F277-W281 HydrophobicContact CZ-CE3 3.41Å; F277-W281 VanDerWaalsContact CZ-CE3 3.41Å; F277-W281 AromaticContact CZ-CZ3 3.89Å; F277-W281 HydrophobicContact CZ-CZ3 3.89Å; F277-W281 VanDerWaalsContact O-CB 3.24Å; F277-W281 WeakPolarHBondContact O-CB 3.47Å; F277-W281 PolarHBondContact O-N 3.36Å; R279-W281 VanDerWaalsContact C-N 3.34Å; W281-M283 VanDerWaalsContact C-N 3.35Å; W281-M283 PolarHBondContact O-N 3.38Å; W281-L284 PolarHBondContact O-N 3.09Å; W281-S285 WeakPolarHBondContact O-CB 3.28Å; W281-S285 PolarHBondContact O-N 3.2Å; W281-S285 PolarHBondContact O-OG 3.15Å
282K94.2Very high92.4Very high144 Ų14470 Ų7063%0.62632%0.32SS*.Hα-helixtrans-56.6-49.6177.3-172.5179.5178.2-177.20111.1N278 R279 I280 S285N278-K282 PolarHBondContact O-N 2.9Å; R279-K282 PolarHBondContact O-N 3.45Å; I280-K282 VanDerWaalsContact C-N 3.33Å; I280-K282 PolarHBondContact O-N 2.94Å; K282-S285 PolarHBondContact O-OG 3.3Å
283M91.5Very high91Very high64 Ų6472.5 Ų72.532%0.31534%0.338SS..Hα-helixtrans-63-50.3179.4-65.917866.900112.3V118 I205 R279 I280 W281V118-M283 WeakPolarHBondContact O-CE 3.43Å; I205-M283 HydrophobicContact CD1-CE 4Å; I205-M283 HydrophobicContact CD1-SD 3.77Å; I205-M283 HydrophobicContact CG1-SD 4.48Å; R279-M283 PolarHBondContact O-N 2.83Å; I280-M283 PolarHBondContact O-N 3.15Å; W281-M283 VanDerWaalsContact C-N 3.35Å; W281-M283 PolarHBondContact O-N 3.38Å
284L92.6Very high89.4Confident0 Ų080 Ų800%037%0.371CS..Hα-helixtrans-74.6-32.7-173-70.1-171.9000113L74 T77 I81 L114 V118 I280 W281 E286 I287 W288L74-L284 HydrophobicContact CD1-CB 3.58Å; T77-L284 HydrophobicContact CG2-CD1 4.32Å; I81-L284 HydrophobicContact CD1-CD1 3.52Å; L114-L284 HydrophobicContact CD1-CD1 4.21Å; L114-L284 HydrophobicContact CD1-CD2 3.54Å; V118-L284 HydrophobicContact CG2-CD2 3.68Å; V118-L284 HydrophobicContact CG2-CG 4.42Å; I280-L284 HydrophobicContact CG2-CD1 3.76Å; I280-L284 HydrophobicContact CG2-CG 4.09Å; I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 3.3Å; W281-L284 PolarHBondContact O-N 3.09Å; L284-E286 PolarHBondContact O-N 3.06Å; L284-I287 HydrophobicContact CD2-CD1 3.82Å; L284-I287 HydrophobicContact CD2-CG1 4.05Å; L284-I287 CarbonylContact O-C 3.6Å; L284-I287 PolarHBondContact O-N 3.23Å; L284-I287 VanDerWaalsContact O-N 3.11Å; L284-W288 WeakPolarHBondContact O-CA 3.3Å; L284-W288 VanDerWaalsContact O-CB 3.27Å; L284-W288 WeakPolarHBondContact O-CB 3.19Å; L284-W288 PolarHBondContact O-N 3.41Å
285S93.7Very high87.5Confident53 Ų5377.2 Ų77.237%0.37137%0.37SS..Hα-helixtrans-57.9-34.3178.264.60000112.8W281 K282W281-S285 WeakPolarHBondContact O-CB 3.28Å; W281-S285 PolarHBondContact O-N 3.2Å; W281-S285 PolarHBondContact O-OG 3.15Å; K282-S285 PolarHBondContact O-OG 3.3Å
286E91.4Very high85.5Confident134 Ų13481.1 Ų81.163%0.62638%0.384SS*.Hα-helixtrans-73.6-33.3178.2-65.7179.6-17100112.8L284 H289L284-E286 PolarHBondContact O-N 3.06Å; E286-H289 PolarHBondContact O-CE1 3.05Å; E286-H289 PolarHBondContact O-ND1 3.06Å
287I89.8Confident83.1Confident27 Ų2790.4 Ų90.414%0.13842%0.424CS..Hα-helixtrans-106.5-6-173.664.3170.5000114.3A117 L284 H289 R290 F291A117-I287 HydrophobicContact CB-CD1 3.49Å; A117-I287 VanDerWaalsContact CB-CD1 3.49Å; L284-I287 HydrophobicContact CD2-CD1 3.82Å; L284-I287 HydrophobicContact CD2-CG1 4.05Å; L284-I287 CarbonylContact O-C 3.6Å; L284-I287 PolarHBondContact O-N 3.23Å; L284-I287 VanDerWaalsContact O-N 3.11Å; I287-H289 PolarHBondContact O-N 3.16Å; I287-H289 VanDerWaalsContact O-N 3.13Å; I287-R290 VanDerWaalsContact O-CB 3.31Å; I287-R290 WeakPolarHBondContact O-CB 3.44Å; I287-R290 WeakPolarHBondContact O-CG 3.2Å; I287-R290 PolarHBondContact O-N 3.4Å; I287-F291 HydrophobicContact CB-CE2 4.47Å; I287-F291 HydrophobicContact CD1-CE2 3.96Å; I287-F291 HydrophobicContact CD1-CZ 4.43Å; I287-F291 HydrophobicContact CG1-CE2 4.06Å
288W88.1Confident80.2Confident32 Ų3299.9 Ų99.912%0.12146%0.461CS..G310 helixtrans-56.3-36.8-172.1-168.6-114.7000113F68 L74 T77 L284 R290 F291F68-W288 HydrophobicContact CE1-CH2 4.07Å; F68-W288 HydrophobicContact CE1-CZ3 4.21Å; L74-W288 HydrophobicContact CB-CD2 3.99Å; L74-W288 HydrophobicContact CB-CG 4.12Å; L74-W288 HydrophobicContact CB-CZ2 4.42Å; L74-W288 HydrophobicContact CD1-CB 4.15Å; L74-W288 HydrophobicContact CD1-CD2 3.7Å; L74-W288 HydrophobicContact CD1-CE3 3.64Å; L74-W288 HydrophobicContact CD1-CG 3.93Å; L74-W288 HydrophobicContact CD1-CZ3 4.32Å; L74-W288 HydrophobicContact CD2-CB 4.45Å; L74-W288 HydrophobicContact CD2-CG 4.43Å; L74-W288 HydrophobicContact CG-CD2 4.38Å; L74-W288 HydrophobicContact CG-CG 4.38Å; T77-W288 HydrophobicContact CG2-CH2 3.87Å; T77-W288 HydrophobicContact CG2-CZ3 3.73Å; T77-W288 VanDerWaalsContact OG1-CH2 3.27Å; T77-W288 WeakPolarHBondContact OG1-CH2 3.44Å; L284-W288 WeakPolarHBondContact O-CA 3.3Å; L284-W288 VanDerWaalsContact O-CB 3.27Å; L284-W288 WeakPolarHBondContact O-CB 3.19Å; L284-W288 PolarHBondContact O-N 3.41Å; W288-R290 PolarHBondContact O-N 3.25Å; W288-F291 HydrophobicContact CE3-CD2 4.4Å; W288-F291 PolarHBondContact O-N 3.43Å
289H87.5Confident77.2Confident122 Ų122100.6 Ų100.657%0.56547%0.474SS*.G310 helixtrans-55.8-24.3178.167.6-88.8000113.5E286 I287 F291E286-H289 PolarHBondContact O-CE1 3.05Å; E286-H289 PolarHBondContact O-ND1 3.06Å; I287-H289 PolarHBondContact O-N 3.16Å; I287-H289 VanDerWaalsContact O-N 3.13Å; H289-F291 VanDerWaalsContact C-N 3.3Å; H289-F291 PolarHBondContact O-N 2.96Å
290R86Confident74.4Confident181 Ų181106 Ų10668%0.68352%0.523SS*.G310 helixtrans-72.9-20.9178-59.2-178.2-178.8174.51.1113.3I287 W288I287-R290 VanDerWaalsContact O-CB 3.31Å; I287-R290 WeakPolarHBondContact O-CB 3.44Å; I287-R290 WeakPolarHBondContact O-CG 3.2Å; I287-R290 PolarHBondContact O-N 3.4Å; W288-R290 PolarHBondContact O-N 3.25Å
291F83.4Confident73.4Confident20 Ų20111.3 Ų111.39%0.08855%0.549CS..THydrogen-bonded Turntrans-100.2-11.3-176.2-56.9-78.7000113.3F68 K110 A113 L114 A117 I287 W288 H289F68-F291 HydrophobicContact CE1-CB 3.84Å; F68-F291 HydrophobicContact CE1-CD1 4.2Å; F68-F291 HydrophobicContact CE1-CG 4.12Å; F68-F291 HydrophobicContact CZ-CB 4.4Å; F68-F291 AromaticContact CZ-CD1 3.93Å; F68-F291 HydrophobicContact CZ-CD1 3.93Å; F68-F291 HydrophobicContact CZ-CE1 4.47Å; F68-F291 HydrophobicContact CZ-CG 4.18Å; K110-F291 HydrophobicContact CB-CD1 4.47Å; K110-F291 PolarHBondContact NZ-O 2.96Å; A113-F291 HydrophobicContact CB-CE1 3.84Å; L114-F291 HydrophobicContact CB-CE1 4.05Å; L114-F291 HydrophobicContact CB-CZ 4.24Å; L114-F291 HydrophobicContact CD1-CE2 4.28Å; L114-F291 HydrophobicContact CD1-CZ 4.21Å; A117-F291 HydrophobicContact CB-CZ 4.26Å; I287-F291 HydrophobicContact CB-CE2 4.47Å; I287-F291 HydrophobicContact CD1-CE2 3.96Å; I287-F291 HydrophobicContact CD1-CZ 4.43Å; I287-F291 HydrophobicContact CG1-CE2 4.06Å; W288-F291 HydrophobicContact CE3-CD2 4.4Å; W288-F291 PolarHBondContact O-N 3.43Å; H289-F291 VanDerWaalsContact C-N 3.3Å; H289-F291 PolarHBondContact O-N 2.96Å
292L78.9Confident72.2Confident99 Ų99112.1 Ų112.152%0.51856%0.559SS.*SBendtrans-69.4135.9178.5-65.7177.8000111.2K294L292-K294 PolarHBondContact O-N 3.37Å
293S67.7Low71Confident60 Ų60110.3 Ų110.342%0.4256%0.555SS.*  trans-67.1124.2172.5-178.80000109.7C295S293-C295 PolarHBondContact O-N 3.27Å; S293-C295 PolarHBondContact OG-N 2.87Å
294K63.5Low69.8Low202 Ų202113 Ų11388%0.87857%0.569SS**THydrogen-bonded Turntrans-68.8-12.4175.8-66.6-175.7178.4179.80113L292L292-K294 PolarHBondContact O-N 3.37Å
295C54.6Low68.4Low101 Ų101120.1 Ų120.168%0.68261%0.605SS**THydrogen-bonded Turntrans-99.115.4-167.9-60.30000115.3S293 F297S293-C295 PolarHBondContact O-N 3.27Å; S293-C295 PolarHBondContact OG-N 2.87Å; C295-F297 PolarHBondContact O-N 3.06Å
296K54.2Low66.7Low161 Ų161124.5 Ų124.570%0.762%0.62SS**THydrogen-bonded Turntrans-69.710.9-177.8-88.1-169.6174.8-178.80115.9
297F46.3Very low64.9Low195 Ų195123.9 Ų123.986%0.85562%0.62SS**THydrogen-bonded Turntrans-10219.5-178-73.8-72.5000115.8C295C295-F297 PolarHBondContact O-N 3.06Å
298Y37.9Very low63Low229 Ų229131.3 Ų131.390%0.89866%0.657SS**  trans-116.876.3166.4-77.1-82.1000110.5
299S33.3Very low60.9Low114 Ų114139.6 Ų139.680%0.79770%0.702SS**  trans-154.590.8159.759.50000108.4
300S37.6Very low58.5Low191 Ų191141.2 Ų141.2100%1.33671%0.714SS**  trans-130.80165.9580000107.5

Retrieved 300 of 300 residues in 162.1 ms (Link to these results)

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