A0A3Q0KE37_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KE37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M56.7Low86.7Confident124 Ų12481.4 Ų81.461%0.61142%0.415SS*.  0-7.30-89.4-179-17700115.1L3 L4 E109 T113M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-E109 HydrophobicContact CE-CB 3.62Å; M1-E109 WeakPolarHBondContact CE-O 3.38Å; M1-T113 WeakPolarHBondContact CE-OG1 3.26Å
2D80.5Confident87.1Confident114 Ų11478.4 Ų78.461%0.6141%0.407SS*.G310 helixtrans-56.7-32.2-177.8-172.145000115L4 K6D2-L4 PolarHBondContact O-N 3.24Å; D2-K6 WeakPolarHBondContact O-CB 3.41Å; D2-K6 PolarHBondContact O-N 3.4Å; D2-K6 WeakPolarHBondContact OD2-CE 3.39Å; D2-K6 IonicContact OD2-NZ 3.1Å
3L88.2Confident87.6Confident32 Ų3272.8 Ų72.817%0.16838%0.378CS..G310 helixtrans-70.4-27.2-174-124.283000115.2M1 D5 K6 V39 L42 Y76 V79 K83M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 3.44Å; M1-L3 VanDerWaalsContact O-N 3.17Å; L3-D5 VanDerWaalsContact C-N 3.27Å; L3-D5 PolarHBondContact O-N 3.03Å; L3-K6 PolarHBondContact O-N 2.92Å; L3-V39 HydrophobicContact CD2-CG1 4.47Å; L3-L42 HydrophobicContact CD2-CB 3.41Å; L3-L42 VanDerWaalsContact CD2-CB 3.41Å; L3-L42 HydrophobicContact CD2-CD1 3.89Å; L3-L42 HydrophobicContact CD2-CG 4.29Å; L3-L42 HydrophobicContact CG-CB 4.33Å; L3-Y76 HydrophobicContact CD2-CD1 4.14Å; L3-Y76 HydrophobicContact CD2-CE1 4.08Å; L3-V79 HydrophobicContact CB-CG1 4.12Å; L3-V79 HydrophobicContact CD2-CG1 4.06Å; L3-K83 PolarHBondContact O-NZ 3.07Å
4L91.1Very high88Confident9 Ų973.7 Ų73.75%0.04738%0.38CS..G310 helixtrans-68.8-28.7-172.9-71.9171.6000112.7M1 D2 V79 T82 L110 T113 R117M1-L4 PolarHBondContact O-N 3.12Å; D2-L4 PolarHBondContact O-N 3.24Å; L4-V79 HydrophobicContact CD2-CB 4.32Å; L4-V79 HydrophobicContact CD2-CG1 3.9Å; L4-V79 HydrophobicContact CD2-CG2 4.37Å; L4-T82 HydrophobicContact CD2-CG2 3.81Å; L4-L110 HydrophobicContact CD1-CD1 3.84Å; L4-L110 HydrophobicContact CD2-CD1 4.32Å; L4-L110 HydrophobicContact CG-CD1 4.47Å; L4-T113 HydrophobicContact CD1-CG2 3.8Å; L4-R117 PolarHBondContact O-NH1 2.68Å
5D91.2Very high88.5Confident123 Ų12380.3 Ų80.366%0.65841%0.408SS*.THydrogen-bonded Turntrans-107.5-4.5-177.1-60.4-47.7000112.4L3 R117L3-D5 VanDerWaalsContact C-N 3.27Å; L3-D5 PolarHBondContact O-N 3.03Å; D5-R117 IonicContact OD1-CZ 3.43Å; D5-R117 IonicContact OD1-NH1 2.73Å; D5-R117 IonicContact OD1-NH2 3.24Å; D5-R117 PolarHBondContact OD1-NH2 3.16Å; D5-R117 IonicContact OD2-NH2 3.4Å; D5-R117 PolarHBondContact OD2-NH2 3.19Å
6K91.7Very high88.9Confident46 Ų4675.8 Ų75.820%0.239%0.386CS..  trans-72131.3-179.3-170.6171-94-150.40111D2 L3 E8 R43 K83D2-K6 WeakPolarHBondContact O-CB 3.41Å; D2-K6 PolarHBondContact O-N 3.4Å; D2-K6 WeakPolarHBondContact OD2-CE 3.39Å; D2-K6 IonicContact OD2-NZ 3.1Å; L3-K6 PolarHBondContact O-N 2.92Å; K6-E8 HydrophobicContact CD-CG 4.06Å; K6-E8 VanDerWaalsContact CD-OE1 3.23Å; K6-E8 WeakPolarHBondContact CD-OE1 3.3Å; K6-E8 WeakPolarHBondContact CE-OE1 3.43Å; K6-E8 HydrophobicContact CG-CG 3.86Å; K6-E8 IonicContact NZ-OE1 2.73Å; K6-E8 PolarHBondContact NZ-OE1 3.38Å; K6-R43 CarbonylContact C-O 3.59Å; K6-R43 HydrophobicContact CD-CB 3.82Å; K6-R43 HydrophobicContact CD-CG 3.85Å; K6-R43 HydrophobicContact CG-CB 4.26Å; K6-R43 WeakPolarHBondContact CG-O 3.42Å; K6-R43 VanDerWaalsContact O-O 3.14Å; K6-K83 PolarHBondContact O-NZ 3.07Å
7D93.3Very high89.4Confident103 Ų10377.1 Ų77.155%0.55139%0.385SS*.  trans-135.769.9174.8-170.129000111R43 T45D7-R43 CarbonylContact C-O 3.38Å; D7-R43 WeakPolarHBondContact CA-O 2.95Å; D7-R43 PolarHBondContact N-O 3.15Å; D7-T45 HydrophobicContact CB-CG2 3.64Å; D7-T45 VanDerWaalsContact CG-CG2 3.47Å; D7-T45 VanDerWaalsContact OD1-CB 3.32Å; D7-T45 WeakPolarHBondContact OD1-CB 3.31Å; D7-T45 VanDerWaalsContact OD1-CG2 3.26Å; D7-T45 WeakPolarHBondContact OD1-CG2 3.37Å; D7-T45 PolarHBondContact OD1-N 3.27Å; D7-T45 VanDerWaalsContact OD1-N 3.09Å; D7-T45 PolarHBondContact OD1-OG1 3.36Å; D7-T45 PolarHBondContact OD2-OG1 3.04Å
8E92.4Very high89.8Confident50 Ų5076.6 Ų76.623%0.23438%0.384CS..  trans-78.3146.2174.8-70.2175-171.300110.7K6 S12 R43 T44K6-E8 HydrophobicContact CD-CG 4.06Å; K6-E8 VanDerWaalsContact CD-OE1 3.23Å; K6-E8 WeakPolarHBondContact CD-OE1 3.3Å; K6-E8 WeakPolarHBondContact CE-OE1 3.43Å; K6-E8 HydrophobicContact CG-CG 3.86Å; K6-E8 IonicContact NZ-OE1 2.73Å; K6-E8 PolarHBondContact NZ-OE1 3.38Å; E8-S12 WeakPolarHBondContact CB-OG 3.41Å; E8-R43 HydrophobicContact CB-CB 4.27Å; E8-R43 PolarHBondContact N-O 3.49Å; E8-R43 VanDerWaalsContact OE2-CD 3.24Å; E8-R43 WeakPolarHBondContact OE2-CD 3.47Å; E8-T44 WeakPolarHBondContact O-CB 3.21Å; E8-T44 PolarHBondContact O-OG1 2.91Å
9P89.9Confident90.1Very high65 Ų6574.9 Ų74.942%0.42238%0.383SS..  trans-66.4148.3177.829.2-35.9000110.9F11 S12P9-F11 HydrophobicContact CB-CD1 3.6Å; P9-F11 HydrophobicContact CB-CE1 3.33Å; P9-F11 HydrophobicContact CB-CZ 4.12Å; P9-F11 HydrophobicContact CG-CD1 3.79Å; P9-F11 HydrophobicContact CG-CE1 3.16Å; P9-F11 HydrophobicContact CG-CE2 4.21Å; P9-F11 HydrophobicContact CG-CZ 3.41Å; P9-F11 VanDerWaalsContact CG-CZ 3.41Å; P9-F11 PolarHBondContact O-N 2.71Å; P9-S12 VanDerWaalsContact O-CB 3.26Å; P9-S12 WeakPolarHBondContact O-CB 3.39Å; P9-S12 PolarHBondContact O-N 2.75Å; P9-S12 PolarHBondContact O-OG 3.39Å
10I87.2Confident90.4Very high85 Ų8572.8 Ų72.844%0.43637%0.371SS..G310 helixtrans-58.7-21.7-172.4-162.366.3000114.7S12 I13 T44 A49I10-S12 PolarHBondContact O-N 3.43Å; I10-I13 HydrophobicContact CD1-CD1 3.61Å; I10-I13 HydrophobicContact CD1-CG1 4.14Å; I10-I13 HydrophobicContact CG1-CD1 4.48Å; I10-I13 WeakPolarHBondContact O-CG1 3.33Å; I10-T44 HydrophobicContact CD1-CG2 3.97Å; I10-A49 HydrophobicContact CD1-CB 4.16Å
11F92Very high90.7Very high144 Ų14472 Ų7263%0.63237%0.37SS*.G310 helixtrans-72.4-19176.370.7-99000113P9 I13 Q14P9-F11 HydrophobicContact CB-CD1 3.6Å; P9-F11 HydrophobicContact CB-CE1 3.33Å; P9-F11 HydrophobicContact CB-CZ 4.12Å; P9-F11 HydrophobicContact CG-CD1 3.79Å; P9-F11 HydrophobicContact CG-CE1 3.16Å; P9-F11 HydrophobicContact CG-CE2 4.21Å; P9-F11 HydrophobicContact CG-CZ 3.41Å; P9-F11 VanDerWaalsContact CG-CZ 3.41Å; P9-F11 PolarHBondContact O-N 2.71Å; F11-I13 PolarHBondContact O-N 3.19Å; F11-Q14 VanDerWaalsContact O-CB 3.26Å; F11-Q14 WeakPolarHBondContact O-CB 3.47Å; F11-Q14 PolarHBondContact O-N 2.79Å
12S91.2Very high92.6Very high46 Ų4670.6 Ų70.632%0.32237%0.368SS..G310 helixtrans-64.4-22.4178.262.20000113.2E8 P9 I10E8-S12 WeakPolarHBondContact CB-OG 3.41Å; P9-S12 VanDerWaalsContact O-CB 3.26Å; P9-S12 WeakPolarHBondContact O-CB 3.39Å; P9-S12 PolarHBondContact O-N 2.75Å; P9-S12 PolarHBondContact O-OG 3.39Å; I10-S12 PolarHBondContact O-N 3.43Å
13I93Very high93.3Very high5 Ų565.5 Ų65.53%0.02634%0.34CS..G310 helixtrans-102.314.5-177.966162.5000112.4I10 F11 E15 S16 R17 Y37 D40 L41I10-I13 HydrophobicContact CD1-CD1 3.61Å; I10-I13 HydrophobicContact CD1-CG1 4.14Å; I10-I13 HydrophobicContact CG1-CD1 4.48Å; I10-I13 WeakPolarHBondContact O-CG1 3.33Å; F11-I13 PolarHBondContact O-N 3.19Å; I13-E15 VanDerWaalsContact C-N 3.34Å; I13-E15 PolarHBondContact O-N 3.17Å; I13-S16 PolarHBondContact O-OG 2.87Å; I13-R17 WeakPolarHBondContact O-CB 3.45Å; I13-R17 PolarHBondContact O-N 2.76Å; I13-Y37 HydrophobicContact CD1-CE2 4.28Å; I13-D40 HydrophobicContact CB-CB 4.18Å; I13-D40 HydrophobicContact CG2-CB 3.91Å; I13-D40 VanDerWaalsContact CG2-O 3.24Å; I13-D40 WeakPolarHBondContact CG2-O 3.31Å; I13-L41 HydrophobicContact CD1-CD2 3.4Å; I13-L41 HydrophobicContact CD1-CG 4Å
14Q93.8Very high93.5Very high86 Ų8667.3 Ų67.340%0.40235%0.353SS..Hα-helixtrans-65.3-37.7-174.7179.4153.6-1.100112.2F11 R17 D18F11-Q14 VanDerWaalsContact O-CB 3.26Å; F11-Q14 WeakPolarHBondContact O-CB 3.47Å; F11-Q14 PolarHBondContact O-N 2.79Å; Q14-R17 VanDerWaalsContact NE2-NH2 3.13Å; Q14-R17 WeakPolarHBondContact O-CB 3.43Å; Q14-R17 PolarHBondContact O-N 3.34Å; Q14-D18 WeakPolarHBondContact CG-OD2 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.47Å; Q14-D18 PolarHBondContact O-N 3.43Å
15E94.9Very high93.7Very high172 Ų17274.1 Ų74.180%0.80438%0.384SS*.Hα-helixtrans-60.6-49.2178.9-174.4-176.8171.500112.1I13 R17 D18 A19I13-E15 VanDerWaalsContact C-N 3.34Å; I13-E15 PolarHBondContact O-N 3.17Å; E15-R17 VanDerWaalsContact C-N 3.35Å; E15-D18 PolarHBondContact O-N 2.85Å; E15-A19 PolarHBondContact O-N 2.9Å
16S96.1Very high93.8Very high8 Ų871.5 Ų71.56%0.05638%0.376CS..Hα-helixtrans-70.9-31.6179.152.70000112.6I13 F20 D40I13-S16 PolarHBondContact O-OG 2.87Å; S16-F20 WeakPolarHBondContact O-CB 3.16Å; S16-F20 PolarHBondContact O-N 3.41Å; S16-D40 WeakPolarHBondContact CB-OD2 3.18Å; S16-D40 WeakPolarHBondContact OG-CB 3.2Å; S16-D40 PolarHBondContact OG-OD2 2.99Å
17R96Very high93.7Very high98 Ų9872.7 Ų72.737%0.3740%0.401SS..Hα-helixtrans-60.8-49.9169.9-175.8-167.170.1-1710111.2I13 Q14 E15 A19 F20 V21 Y37I13-R17 WeakPolarHBondContact O-CB 3.45Å; I13-R17 PolarHBondContact O-N 2.76Å; Q14-R17 VanDerWaalsContact NE2-NH2 3.13Å; Q14-R17 WeakPolarHBondContact O-CB 3.43Å; Q14-R17 PolarHBondContact O-N 3.34Å; E15-R17 VanDerWaalsContact C-N 3.35Å; R17-A19 VanDerWaalsContact C-N 3.32Å; R17-A19 PolarHBondContact O-N 2.62Å; R17-F20 WeakPolarHBondContact O-CB 3.49Å; R17-F20 PolarHBondContact O-N 3.45Å; R17-F20 VanDerWaalsContact O-N 3.13Å; R17-V21 HydrophobicContact CG-CG2 4.49Å; R17-V21 WeakPolarHBondContact O-CG2 3.35Å; R17-V21 PolarHBondContact O-N 3.21Å; R17-Y37 VanDerWaalsContact CA-CE2 3.43Å; R17-Y37 HydrophobicContact CB-CD2 4.13Å; R17-Y37 HydrophobicContact CB-CE2 3.51Å; R17-Y37 HydrophobicContact CG-CE2 4Å
18D96.6Very high93.5Very high68 Ų6873.6 Ų73.636%0.36441%0.405SS..Hα-helixtrans-66.8-38.4-175-64.4-9000110Q14 E15 F20 V21 V22Q14-D18 WeakPolarHBondContact CG-OD2 3.4Å; Q14-D18 WeakPolarHBondContact O-CB 3.47Å; Q14-D18 PolarHBondContact O-N 3.43Å; E15-D18 PolarHBondContact O-N 2.85Å; D18-F20 PolarHBondContact O-N 3.42Å; D18-V21 PolarHBondContact O-N 3Å; D18-V22 WeakPolarHBondContact O-CG2 3.38Å; D18-V22 PolarHBondContact O-N 3.24Å
19A96.4Very high93.3Very high45 Ų4575.6 Ų75.637%0.37242%0.415SS..Hα-helixtrans-60.6-42170.300000112.8E15 R17 M23 I33E15-A19 PolarHBondContact O-N 2.9Å; R17-A19 VanDerWaalsContact C-N 3.32Å; R17-A19 PolarHBondContact O-N 2.62Å; A19-M23 WeakPolarHBondContact O-CB 3.36Å; A19-M23 PolarHBondContact O-N 3.05Å; A19-I33 HydrophobicContact CB-CG2 4.28Å
20F96.4Very high93.5Very high33 Ų3376 Ų7615%0.14541%0.414CS..Hα-helixtrans-64.4-42.8176179.2-98.3000112.1S16 R17 D18 M23 T24 I33 Q34 Y37 L56S16-F20 WeakPolarHBondContact O-CB 3.16Å; S16-F20 PolarHBondContact O-N 3.41Å; R17-F20 WeakPolarHBondContact O-CB 3.49Å; R17-F20 PolarHBondContact O-N 3.45Å; R17-F20 VanDerWaalsContact O-N 3.13Å; D18-F20 PolarHBondContact O-N 3.42Å; F20-M23 HydrophobicContact CD2-CE 3.41Å; F20-M23 VanDerWaalsContact CD2-CE 3.41Å; F20-M23 HydrophobicContact CE2-CE 3.54Å; F20-M23 HydrophobicContact CG-CE 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.48Å; F20-M23 PolarHBondContact O-N 3.31Å; F20-T24 HydrophobicContact CD1-CG2 4.17Å; F20-T24 HydrophobicContact CE1-CG2 3.71Å; F20-T24 HydrophobicContact CE2-CG2 4.15Å; F20-T24 HydrophobicContact CZ-CG2 3.69Å; F20-T24 WeakPolarHBondContact O-CG2 3.3Å; F20-T24 PolarHBondContact O-N 3.27Å; F20-T24 PolarHBondContact O-OG1 3.15Å; F20-I33 HydrophobicContact CB-CG2 4.4Å; F20-Q34 HydrophobicContact CD2-CB 4.34Å; F20-Q34 HydrophobicContact CE2-CB 4.09Å; F20-Q34 HydrophobicContact CE2-CG 3.98Å; F20-Y37 HydrophobicContact CB-CD1 3.56Å; F20-Y37 HydrophobicContact CB-CE1 4.24Å; F20-Y37 HydrophobicContact CB-CG 3.8Å; F20-Y37 AromaticContact CD1-CD1 3.61Å; F20-Y37 HydrophobicContact CD1-CD1 3.61Å; F20-Y37 AromaticContact CD1-CE1 3.71Å; F20-Y37 HydrophobicContact CD1-CE1 3.71Å; F20-Y37 AromaticContact CD2-CD1 3.83Å; F20-Y37 HydrophobicContact CD2-CD1 3.83Å; F20-Y37 HydrophobicContact CE1-CD1 4.26Å; F20-Y37 HydrophobicContact CE1-CE1 4.25Å; F20-Y37 HydrophobicContact CE2-CD1 4.46Å; F20-Y37 AromaticContact CG-CD1 3.37Å; F20-Y37 HydrophobicContact CG-CD1 3.37Å; F20-Y37 AromaticContact CG-CE1 3.97Å; F20-Y37 HydrophobicContact CG-CE1 3.97Å; F20-Y37 HydrophobicContact CG-CG 4.1Å; F20-L56 HydrophobicContact CE1-CD2 4.41Å; F20-L56 HydrophobicContact CE2-CD2 3.98Å; F20-L56 HydrophobicContact CZ-CD1 4.44Å; F20-L56 HydrophobicContact CZ-CD2 3.58Å
21V96.1Very high93.9Very high57 Ų5774.1 Ų74.135%0.34541%0.405SS..Hα-helixtrans-60-50.5176.8170.70000110.5R17 D18 M23 T24 E25R17-V21 HydrophobicContact CG-CG2 4.49Å; R17-V21 WeakPolarHBondContact O-CG2 3.35Å; R17-V21 PolarHBondContact O-N 3.21Å; D18-V21 PolarHBondContact O-N 3Å; V21-M23 VanDerWaalsContact C-N 3.27Å; V21-M23 PolarHBondContact O-N 3.36Å; V21-T24 WeakPolarHBondContact CA-OG1 3.23Å; V21-T24 PolarHBondContact O-N 2.98Å; V21-T24 VanDerWaalsContact O-N 3.1Å; V21-T24 PolarHBondContact O-OG1 2.98Å; V21-E25 HydrophobicContact CG1-CG 4.3Å; V21-E25 WeakPolarHBondContact O-CG 3.46Å; V21-E25 PolarHBondContact O-N 3.46Å
22V96.2Very high94.1Very high93 Ų9369 Ų6956%0.56439%0.392SS*.Hα-helixtrans-57.7-41.8177.6171.30000111.4D18 E25 S26D18-V22 WeakPolarHBondContact O-CG2 3.38Å; D18-V22 PolarHBondContact O-N 3.24Å; V22-E25 PolarHBondContact O-N 2.73Å; V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.48Å
23M95.2Very high94.3Very high7 Ų769 Ų693%0.03439%0.388CS..Hα-helixtrans-60.4-49175.8179-89.3-75.100111.1A19 F20 V21 E25 S26 G27 I28 M29 D30 I33 Q34A19-M23 WeakPolarHBondContact O-CB 3.36Å; A19-M23 PolarHBondContact O-N 3.05Å; F20-M23 HydrophobicContact CD2-CE 3.41Å; F20-M23 VanDerWaalsContact CD2-CE 3.41Å; F20-M23 HydrophobicContact CE2-CE 3.54Å; F20-M23 HydrophobicContact CG-CE 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.48Å; F20-M23 PolarHBondContact O-N 3.31Å; V21-M23 VanDerWaalsContact C-N 3.27Å; V21-M23 PolarHBondContact O-N 3.36Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 2.7Å; M23-S26 PolarHBondContact O-N 3.01Å; M23-S26 PolarHBondContact O-OG 3.37Å; M23-G27 PolarHBondContact O-N 3.22Å; M23-I28 VanDerWaalsContact CG-O 3.29Å; M23-I28 WeakPolarHBondContact CG-O 3.44Å; M23-M29 HydrophobicContact CE-SD 4.17Å; M23-M29 HydrophobicContact SD-SD 3.75Å; M23-D30 HydrophobicContact CG-CB 4.1Å; M23-I33 HydrophobicContact CB-CD1 4.17Å; M23-I33 HydrophobicContact CB-CG2 4.01Å; M23-I33 HydrophobicContact CE-CB 4.3Å; M23-I33 HydrophobicContact CE-CG2 4.09Å; M23-I33 HydrophobicContact CG-CB 4.44Å; M23-I33 HydrophobicContact CG-CD1 4.27Å; M23-I33 HydrophobicContact CG-CG2 4.34Å; M23-Q34 HydrophobicContact CE-CB 3.96Å
24T93.4Very high94.5Very high70 Ų7068.9 Ų68.943%0.42939%0.387SS..Hα-helixtrans-63.3-36.6178.158.10000113.4F20 V21 G27F20-T24 HydrophobicContact CD1-CG2 4.17Å; F20-T24 HydrophobicContact CE1-CG2 3.71Å; F20-T24 HydrophobicContact CE2-CG2 4.15Å; F20-T24 HydrophobicContact CZ-CG2 3.69Å; F20-T24 WeakPolarHBondContact O-CG2 3.3Å; F20-T24 PolarHBondContact O-N 3.27Å; F20-T24 PolarHBondContact O-OG1 3.15Å; V21-T24 WeakPolarHBondContact CA-OG1 3.23Å; V21-T24 PolarHBondContact O-N 2.98Å; V21-T24 VanDerWaalsContact O-N 3.1Å; V21-T24 PolarHBondContact O-OG1 2.98Å; T24-G27 PolarHBondContact O-N 2.87Å
25E94.2Very high94.7Very high152 Ų15266.5 Ų66.571%0.7138%0.376SS*.Hα-helixtrans-69.8-33.4177.7-72.3177.8169.300112.4V21 V22 M23 G27V21-E25 HydrophobicContact CG1-CG 4.3Å; V21-E25 WeakPolarHBondContact O-CG 3.46Å; V21-E25 PolarHBondContact O-N 3.46Å; V22-E25 PolarHBondContact O-N 2.73Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 2.7Å; E25-G27 PolarHBondContact O-N 3.09Å
26S93.1Very high94.9Very high69 Ų6966.1 Ų66.148%0.48337%0.367SS..Hα-helixtrans-70.7-19.1177.577.80000113.5V22 M23 I28V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.48Å; M23-S26 PolarHBondContact O-N 3.01Å; M23-S26 PolarHBondContact O-OG 3.37Å; S26-I28 PolarHBondContact O-N 2.75Å; S26-I28 VanDerWaalsContact O-N 3.16Å; S26-I28 PolarHBondContact OG-N 3.34Å
27G90.9Very high94.9Very high70 Ų7066.6 Ų66.672%0.72237%0.368SS*.THydrogen-bonded Turntrans69.8-1.7-172.800000114.5M23 T24 E25M23-G27 PolarHBondContact O-N 3.22Å; T24-G27 PolarHBondContact O-N 2.87Å; E25-G27 PolarHBondContact O-N 3.09Å
28I87.9Confident95Very high123 Ų12361.9 Ų61.963%0.63135%0.35SS*.  trans-87.4118.5173.7-58.8175.6000107.5M23 S26M23-I28 VanDerWaalsContact CG-O 3.29Å; M23-I28 WeakPolarHBondContact CG-O 3.44Å; S26-I28 PolarHBondContact O-N 2.75Å; S26-I28 VanDerWaalsContact O-N 3.16Å; S26-I28 PolarHBondContact OG-N 3.34Å
29M89.3Confident95Very high92 Ų9259.3 Ų59.345%0.45334%0.337SS..  trans-84122.5179.9-171.258.770.200111M23 Q34 R63M23-M29 HydrophobicContact CE-SD 4.17Å; M23-M29 HydrophobicContact SD-SD 3.75Å; M29-Q34 PolarHBondContact SD-OE1 3.19Å; M29-R63 VanDerWaalsContact CE-NH1 3.32Å; M29-R63 PolarHBondContact SD-NH1 3.27Å; M29-R63 PolarHBondContact SD-NH2 2.99Å
30D94Very high95.1Very high74 Ų7458 Ų5840%0.39632%0.324SS..  trans-118.5111174.5-171.8-49.6000109.9M23 G32 I33 Q34M23-D30 HydrophobicContact CG-CB 4.1Å; D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 3.32Å; D30-G32 WeakPolarHBondContact OD1-CA 3.11Å; D30-G32 PolarHBondContact OD1-N 3.08Å; D30-I33 HydrophobicContact CB-CB 4.11Å; D30-I33 HydrophobicContact CB-CD1 3.9Å; D30-I33 HydrophobicContact CB-CG1 3.97Å; D30-I33 PolarHBondContact O-N 3.15Å; D30-I33 PolarHBondContact OD1-N 3.3Å; D30-Q34 PolarHBondContact O-N 3.46Å; D30-Q34 VanDerWaalsContact O-N 3.13Å
31D95.5Very high95.1Very high45 Ų4556.6 Ų56.624%0.24132%0.317CS..Hα-helixtrans-56.9-39179.2-80.38.4000111.9F35 L60 R63 T64 L69D31-F35 WeakPolarHBondContact O-CB 3.41Å; D31-F35 PolarHBondContact O-N 2.89Å; D31-L60 HydrophobicContact CB-CD1 3.64Å; D31-L60 WeakPolarHBondContact OD1-CD1 3.43Å; D31-R63 IonicContact OD1-CZ 3.59Å; D31-R63 IonicContact OD1-NE 2.65Å; D31-R63 PolarHBondContact OD1-NE 3.45Å; D31-R63 IonicContact OD1-NH2 3.42Å; D31-R63 PolarHBondContact OD1-NH2 3.21Å; D31-T64 WeakPolarHBondContact OD2-CB 3.48Å; D31-T64 PolarHBondContact OD2-OG1 2.98Å; D31-L69 HydrophobicContact CB-CD2 3.89Å
32G95.7Very high95.2Very high35 Ų3553.9 Ų53.936%0.36130%0.301SS..Hα-helixtrans-71.7-37.8-178.200000113.1D30 R36D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 3.32Å; D30-G32 WeakPolarHBondContact OD1-CA 3.11Å; D30-G32 PolarHBondContact OD1-N 3.08Å; G32-R36 VanDerWaalsContact O-CB 3.32Å; G32-R36 WeakPolarHBondContact O-CB 3.48Å; G32-R36 PolarHBondContact O-N 2.89Å
33I96.6Very high95.1Very high48 Ų4853.3 Ų53.325%0.24629%0.289CS..Hα-helixtrans-66.3-47.7175-64.8178.6000110.3A19 F20 M23 D30 F35 R36 Y37A19-I33 HydrophobicContact CB-CG2 4.28Å; F20-I33 HydrophobicContact CB-CG2 4.4Å; M23-I33 HydrophobicContact CB-CD1 4.17Å; M23-I33 HydrophobicContact CB-CG2 4.01Å; M23-I33 HydrophobicContact CE-CB 4.3Å; M23-I33 HydrophobicContact CE-CG2 4.09Å; M23-I33 HydrophobicContact CG-CB 4.44Å; M23-I33 HydrophobicContact CG-CD1 4.27Å; M23-I33 HydrophobicContact CG-CG2 4.34Å; D30-I33 HydrophobicContact CB-CB 4.11Å; D30-I33 HydrophobicContact CB-CD1 3.9Å; D30-I33 HydrophobicContact CB-CG1 3.97Å; D30-I33 PolarHBondContact O-N 3.15Å; D30-I33 PolarHBondContact OD1-N 3.3Å; I33-F35 PolarHBondContact O-N 3.06Å; I33-R36 PolarHBondContact O-N 2.77Å; I33-Y37 PolarHBondContact O-N 3.24Å
34Q97.5Very high95.1Very high2 Ų253.1 Ų53.11%0.00929%0.288CS..Hα-helixtrans-60.1-46.8177.1178.7170.3-21.400111.5F20 M23 M29 D30 R36 Y37 A38 L56F20-Q34 HydrophobicContact CD2-CB 4.34Å; F20-Q34 HydrophobicContact CE2-CB 4.09Å; F20-Q34 HydrophobicContact CE2-CG 3.98Å; M23-Q34 HydrophobicContact CE-CB 3.96Å; M29-Q34 PolarHBondContact SD-OE1 3.19Å; D30-Q34 PolarHBondContact O-N 3.46Å; D30-Q34 VanDerWaalsContact O-N 3.13Å; Q34-R36 PolarHBondContact O-N 3.36Å; Q34-Y37 PolarHBondContact O-N 3.31Å; Q34-A38 WeakPolarHBondContact O-CB 3.49Å; Q34-A38 PolarHBondContact O-N 2.97Å; Q34-L56 HydrophobicContact CG-CB 4.35Å; Q34-L56 HydrophobicContact CG-CD2 4.4Å; Q34-L56 PolarHBondContact NE2-O 2.83Å
35F97.8Very high95.1Very high36 Ų3653 Ų5316%0.15829%0.287CS..Hα-helixtrans-57.9-50.2177.4-176.5-100.7000111.9D31 I33 Y37 A38 V39 L57 L60 L69 D72 Y76D31-F35 WeakPolarHBondContact O-CB 3.41Å; D31-F35 PolarHBondContact O-N 2.89Å; I33-F35 PolarHBondContact O-N 3.06Å; F35-Y37 VanDerWaalsContact C-N 3.35Å; F35-Y37 PolarHBondContact O-N 3.3Å; F35-A38 PolarHBondContact O-N 3.04Å; F35-V39 HydrophobicContact CD1-CG2 4.15Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CG2 3.79Å; F35-V39 HydrophobicContact CE2-CG2 4.15Å; F35-V39 HydrophobicContact CZ-CG2 3.8Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.23Å; F35-L57 HydrophobicContact CD2-CD2 4.05Å; F35-L57 HydrophobicContact CE2-CD2 4.2Å; F35-L60 HydrophobicContact CB-CD2 3.58Å; F35-L60 HydrophobicContact CD2-CD2 3.81Å; F35-L60 HydrophobicContact CG-CD2 4.19Å; F35-L69 HydrophobicContact CB-CD1 4.41Å; F35-L69 HydrophobicContact CD2-CD1 3.67Å; F35-L69 HydrophobicContact CE2-CD1 3.96Å; F35-L69 HydrophobicContact CG-CD1 3.95Å; F35-L69 HydrophobicContact CZ-CD1 4.48Å; F35-D72 HydrophobicContact CE2-CB 3.96Å; F35-D72 HydrophobicContact CZ-CB 3.83Å; F35-Y76 HydrophobicContact CE1-CD2 4.48Å; F35-Y76 HydrophobicContact CE1-CE2 4.18Å; F35-Y76 AromaticContact CE2-CD2 3.9Å; F35-Y76 HydrophobicContact CE2-CD2 3.9Å; F35-Y76 HydrophobicContact CE2-CE2 4.35Å; F35-Y76 AromaticContact CZ-CD2 3.49Å; F35-Y76 HydrophobicContact CZ-CD2 3.49Å; F35-Y76 VanDerWaalsContact CZ-CD2 3.49Å; F35-Y76 AromaticContact CZ-CE2 3.48Å; F35-Y76 HydrophobicContact CZ-CE2 3.48Å; F35-Y76 VanDerWaalsContact CZ-CE2 3.48Å
36R97.3Very high95.1Very high163 Ų16351.8 Ų51.862%0.61528%0.276SS*.Hα-helixtrans-59-46.7-179.2-175.5179.4-58.2166.16111.6G32 I33 Q34 A38 V39 D40G32-R36 VanDerWaalsContact O-CB 3.32Å; G32-R36 WeakPolarHBondContact O-CB 3.48Å; G32-R36 PolarHBondContact O-N 2.89Å; I33-R36 PolarHBondContact O-N 2.77Å; Q34-R36 PolarHBondContact O-N 3.36Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.35Å; R36-V39 PolarHBondContact O-N 3.32Å; R36-D40 WeakPolarHBondContact O-CB 3.29Å; R36-D40 PolarHBondContact O-N 3.14Å
37Y97.8Very high95.2Very high18 Ų1855.6 Ų55.67%0.07128%0.284CS..Hα-helixtrans-63-42.2177.8178.7-132.1000111.9I13 R17 F20 I33 Q34 F35 V39 D40 L41 L52 L56I13-Y37 HydrophobicContact CD1-CE2 4.28Å; R17-Y37 VanDerWaalsContact CA-CE2 3.43Å; R17-Y37 HydrophobicContact CB-CD2 4.13Å; R17-Y37 HydrophobicContact CB-CE2 3.51Å; R17-Y37 HydrophobicContact CG-CE2 4Å; F20-Y37 HydrophobicContact CB-CD1 3.56Å; F20-Y37 HydrophobicContact CB-CE1 4.24Å; F20-Y37 HydrophobicContact CB-CG 3.8Å; F20-Y37 AromaticContact CD1-CD1 3.61Å; F20-Y37 HydrophobicContact CD1-CD1 3.61Å; F20-Y37 AromaticContact CD1-CE1 3.71Å; F20-Y37 HydrophobicContact CD1-CE1 3.71Å; F20-Y37 AromaticContact CD2-CD1 3.83Å; F20-Y37 HydrophobicContact CD2-CD1 3.83Å; F20-Y37 HydrophobicContact CE1-CD1 4.26Å; F20-Y37 HydrophobicContact CE1-CE1 4.25Å; F20-Y37 HydrophobicContact CE2-CD1 4.46Å; F20-Y37 AromaticContact CG-CD1 3.37Å; F20-Y37 HydrophobicContact CG-CD1 3.37Å; F20-Y37 AromaticContact CG-CE1 3.97Å; F20-Y37 HydrophobicContact CG-CE1 3.97Å; F20-Y37 HydrophobicContact CG-CG 4.1Å; I33-Y37 PolarHBondContact O-N 3.24Å; Q34-Y37 PolarHBondContact O-N 3.31Å; F35-Y37 VanDerWaalsContact C-N 3.35Å; F35-Y37 PolarHBondContact O-N 3.3Å; Y37-V39 PolarHBondContact O-N 3.09Å; Y37-D40 PolarHBondContact O-N 3.4Å; Y37-L41 HydrophobicContact CD1-CD1 4.29Å; Y37-L41 HydrophobicContact CD2-CD1 4.48Å; Y37-L41 HydrophobicContact CD2-CG 4.32Å; Y37-L41 HydrophobicContact CE1-CD1 3.94Å; Y37-L41 HydrophobicContact CE2-CD1 4.11Å; Y37-L41 HydrophobicContact CE2-CD2 4.11Å; Y37-L41 HydrophobicContact CE2-CG 3.89Å; Y37-L41 WeakPolarHBondContact O-CG 3.44Å; Y37-L41 PolarHBondContact O-N 2.89Å; Y37-L52 HydrophobicContact CE1-CD2 4.3Å; Y37-L56 HydrophobicContact CD1-CD1 3.6Å; Y37-L56 HydrophobicContact CE1-CD1 3.83Å
38A97.7Very high95.4Very high0 Ų057.8 Ų57.80%028%0.275CS..Hα-helixtrans-62.4-41.1177.200000112.7Q34 F35 R36 L41 S53 L56 L57Q34-A38 WeakPolarHBondContact O-CB 3.49Å; Q34-A38 PolarHBondContact O-N 2.97Å; F35-A38 PolarHBondContact O-N 3.04Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.35Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 PolarHBondContact O-N 3.47Å; A38-S53 WeakPolarHBondContact O-CB 3.45Å; A38-S53 PolarHBondContact O-OG 3.01Å; A38-L56 HydrophobicContact CB-CB 3.8Å; A38-L56 HydrophobicContact CB-CD1 4.32Å; A38-L57 HydrophobicContact CB-CD2 3.82Å; A38-L57 HydrophobicContact CB-CG 3.8Å
39V97.2Very high95.8Very high14 Ų1452.2 Ų52.29%0.08525%0.248CC..Hα-helixtrans-69.2-39.1176.2173.50000111.6L3 F35 R36 Y37 L41 L42 Y76L3-V39 HydrophobicContact CD2-CG1 4.47Å; F35-V39 HydrophobicContact CD1-CG2 4.15Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CG2 3.79Å; F35-V39 HydrophobicContact CE2-CG2 4.15Å; F35-V39 HydrophobicContact CZ-CG2 3.8Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.23Å; R36-V39 PolarHBondContact O-N 3.32Å; Y37-V39 PolarHBondContact O-N 3.09Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 3.35Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.43Å; V39-L42 PolarHBondContact O-N 3.35Å; V39-Y76 HydrophobicContact CB-CE1 4.46Å; V39-Y76 HydrophobicContact CG1-CD1 4Å; V39-Y76 HydrophobicContact CG1-CE1 3.58Å; V39-Y76 HydrophobicContact CG2-CD1 3.88Å; V39-Y76 HydrophobicContact CG2-CD2 3.69Å; V39-Y76 HydrophobicContact CG2-CE1 4.03Å; V39-Y76 HydrophobicContact CG2-CE2 3.9Å; V39-Y76 HydrophobicContact CG2-CG 3.7Å
40D96.8Very high96.2Very high18 Ų1848 Ų4810%0.09623%0.227CC..Hα-helixtrans-63.5-38.1176.8-80.1-3.9000111.8I13 S16 R36 Y37 L42 R43I13-D40 HydrophobicContact CB-CB 4.18Å; I13-D40 HydrophobicContact CG2-CB 3.91Å; I13-D40 VanDerWaalsContact CG2-O 3.24Å; I13-D40 WeakPolarHBondContact CG2-O 3.31Å; S16-D40 WeakPolarHBondContact CB-OD2 3.18Å; S16-D40 WeakPolarHBondContact OG-CB 3.2Å; S16-D40 PolarHBondContact OG-OD2 2.99Å; R36-D40 WeakPolarHBondContact O-CB 3.29Å; R36-D40 PolarHBondContact O-N 3.14Å; Y37-D40 PolarHBondContact O-N 3.4Å; D40-L42 PolarHBondContact O-N 3.3Å; D40-L42 VanDerWaalsContact O-N 3.09Å; D40-R43 VanDerWaalsContact O-CB 3.23Å; D40-R43 WeakPolarHBondContact O-CB 3.46Å; D40-R43 WeakPolarHBondContact O-CG 3.42Å; D40-R43 PolarHBondContact O-N 2.89Å; D40-R43 IonicContact OD1-CZ 3.07Å; D40-R43 IonicContact OD1-NE 3.8Å; D40-R43 PolarHBondContact OD1-NE 3.08Å; D40-R43 VanDerWaalsContact OD1-NE 3.1Å; D40-R43 IonicContact OD1-NH2 2.68Å; D40-R43 PolarHBondContact OD1-NH2 3.48Å
41L97.1Very high96.4Very high3 Ų348.7 Ų48.72%0.01623%0.231CC..Hα-helixtrans-55.3-26.9172-76.1164.1000113I13 Y37 A38 V39 R43 T44 A49 L52 L56I13-L41 HydrophobicContact CD1-CD2 3.4Å; I13-L41 HydrophobicContact CD1-CG 4Å; Y37-L41 HydrophobicContact CD1-CD1 4.29Å; Y37-L41 HydrophobicContact CD2-CD1 4.48Å; Y37-L41 HydrophobicContact CD2-CG 4.32Å; Y37-L41 HydrophobicContact CE1-CD1 3.94Å; Y37-L41 HydrophobicContact CE2-CD1 4.11Å; Y37-L41 HydrophobicContact CE2-CD2 4.11Å; Y37-L41 HydrophobicContact CE2-CG 3.89Å; Y37-L41 WeakPolarHBondContact O-CG 3.44Å; Y37-L41 PolarHBondContact O-N 2.89Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 PolarHBondContact O-N 3.47Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 3.35Å; L41-R43 PolarHBondContact O-N 3.43Å; L41-T44 WeakPolarHBondContact O-CG2 3.38Å; L41-T44 PolarHBondContact O-N 2.9Å; L41-A49 HydrophobicContact CD2-CB 3.71Å; L41-L52 HydrophobicContact CD1-CB 4.18Å; L41-L52 HydrophobicContact CD1-CD2 3.89Å; L41-L52 HydrophobicContact CD1-CG 3.81Å; L41-L52 HydrophobicContact CD2-CD2 4.38Å; L41-L56 HydrophobicContact CD1-CD1 3.97Å
42L97.2Very high96.5Very high0 Ų049.5 Ų49.50%024%0.235CC..THydrogen-bonded Turntrans-76.7-7.8177.1-57.1177.8000113.6L3 V39 D40 T44 L50 S53 Y76 V79 A80 K83L3-L42 HydrophobicContact CD2-CB 3.41Å; L3-L42 VanDerWaalsContact CD2-CB 3.41Å; L3-L42 HydrophobicContact CD2-CD1 3.89Å; L3-L42 HydrophobicContact CD2-CG 4.29Å; L3-L42 HydrophobicContact CG-CB 4.33Å; V39-L42 VanDerWaalsContact O-CB 3.31Å; V39-L42 WeakPolarHBondContact O-CB 3.43Å; V39-L42 PolarHBondContact O-N 3.35Å; D40-L42 PolarHBondContact O-N 3.3Å; D40-L42 VanDerWaalsContact O-N 3.09Å; L42-T44 VanDerWaalsContact C-N 3.27Å; L42-L50 HydrophobicContact CD2-CD2 3.88Å; L42-S53 WeakPolarHBondContact CD2-OG 3.41Å; L42-S53 WeakPolarHBondContact CG-OG 3.39Å; L42-Y76 HydrophobicContact CD1-CD1 3.87Å; L42-Y76 HydrophobicContact CD1-CG 4.35Å; L42-Y76 WeakPolarHBondContact CD1-O 3.39Å; L42-V79 HydrophobicContact CD1-CB 4.4Å; L42-V79 HydrophobicContact CD1-CG1 4.21Å; L42-A80 HydrophobicContact CD2-CB 3.47Å; L42-A80 VanDerWaalsContact CD2-CB 3.47Å; L42-K83 PolarHBondContact O-NZ 3.32Å
43R95.8Very high96.6Very high81 Ų8147.9 Ų47.931%0.30622%0.218SC..THydrogen-bonded Turntrans-73.8-19.8173.2-59.1-177.6-168.1-173.76.2112.3K6 D7 E8 D40 L41K6-R43 CarbonylContact C-O 3.59Å; K6-R43 HydrophobicContact CD-CB 3.82Å; K6-R43 HydrophobicContact CD-CG 3.85Å; K6-R43 HydrophobicContact CG-CB 4.26Å; K6-R43 WeakPolarHBondContact CG-O 3.42Å; K6-R43 VanDerWaalsContact O-O 3.14Å; D7-R43 CarbonylContact C-O 3.38Å; D7-R43 WeakPolarHBondContact CA-O 2.95Å; D7-R43 PolarHBondContact N-O 3.15Å; E8-R43 HydrophobicContact CB-CB 4.27Å; E8-R43 PolarHBondContact N-O 3.49Å; E8-R43 VanDerWaalsContact OE2-CD 3.24Å; E8-R43 WeakPolarHBondContact OE2-CD 3.47Å; D40-R43 VanDerWaalsContact O-CB 3.23Å; D40-R43 WeakPolarHBondContact O-CB 3.46Å; D40-R43 WeakPolarHBondContact O-CG 3.42Å; D40-R43 PolarHBondContact O-N 2.89Å; D40-R43 IonicContact OD1-CZ 3.07Å; D40-R43 IonicContact OD1-NE 3.8Å; D40-R43 PolarHBondContact OD1-NE 3.08Å; D40-R43 VanDerWaalsContact OD1-NE 3.1Å; D40-R43 IonicContact OD1-NH2 2.68Å; D40-R43 PolarHBondContact OD1-NH2 3.48Å; L41-R43 PolarHBondContact O-N 3.43Å
44T93.9Very high96.7Very high3 Ų346.2 Ų46.22%0.01821%0.209CC..SBendtrans-97.1165.5173.6-177.20000111.3E8 I10 L41 L42 R46 A49 K83E8-T44 WeakPolarHBondContact O-CB 3.21Å; E8-T44 PolarHBondContact O-OG1 2.91Å; I10-T44 HydrophobicContact CD1-CG2 3.97Å; L41-T44 WeakPolarHBondContact O-CG2 3.38Å; L41-T44 PolarHBondContact O-N 2.9Å; L42-T44 VanDerWaalsContact C-N 3.27Å; T44-R46 HydrophobicContact CG2-CB 4.45Å; T44-R46 PolarHBondContact OG1-N 3.39Å; T44-A49 HydrophobicContact CG2-CB 3.39Å; T44-K83 WeakPolarHBondContact O-CE 3.16Å; T44-K83 PolarHBondContact O-NZ 3.26Å
45T93.2Very high96.8Very high68 Ų6852.3 Ų52.342%0.41724%0.235SC..  trans-103.90.6172.5610000113.8D7 K47D7-T45 HydrophobicContact CB-CG2 3.64Å; D7-T45 VanDerWaalsContact CG-CG2 3.47Å; D7-T45 VanDerWaalsContact OD1-CB 3.32Å; D7-T45 WeakPolarHBondContact OD1-CB 3.31Å; D7-T45 VanDerWaalsContact OD1-CG2 3.26Å; D7-T45 WeakPolarHBondContact OD1-CG2 3.37Å; D7-T45 PolarHBondContact OD1-N 3.27Å; D7-T45 VanDerWaalsContact OD1-N 3.09Å; D7-T45 PolarHBondContact OD1-OG1 3.36Å; D7-T45 PolarHBondContact OD2-OG1 3.04Å; T45-K47 PolarHBondContact O-N 3.45Å
46R94.7Very high96.8Very high125 Ų12551 Ų5147%0.47223%0.23SC..  trans-59.4123178.6-75.5-169.657.194.610.7111.3T44 E48 A49 L50T44-R46 HydrophobicContact CG2-CB 4.45Å; T44-R46 PolarHBondContact OG1-N 3.39Å; R46-E48 IonicContact CZ-OE2 2.7Å; R46-E48 VanDerWaalsContact CZ-OE2 3.32Å; R46-E48 IonicContact NE-OE2 3.37Å; R46-E48 PolarHBondContact NE-OE2 3.26Å; R46-E48 IonicContact NH2-OE1 3.23Å; R46-E48 PolarHBondContact NH2-OE1 3.15Å; R46-E48 IonicContact NH2-OE2 3.79Å; R46-E48 PolarHBondContact NH2-OE2 3.41Å; R46-E48 PolarHBondContact O-N 3.39Å; R46-E48 VanDerWaalsContact O-N 3.17Å; R46-A49 HydrophobicContact CB-CB 3.99Å; R46-A49 WeakPolarHBondContact O-CB 3.49Å; R46-A49 PolarHBondContact O-N 3.49Å; R46-L50 WeakPolarHBondContact O-CG 3.5Å; R46-L50 PolarHBondContact O-N 2.97Å
47K95.2Very high96.8Very high150 Ų15043.2 Ų43.265%0.65220%0.201SC*.Hα-helixtrans-54.4-38.7-179.5-71.6-172.3176.5-175.30112.9T45 A49 L50 N51 L84T45-K47 PolarHBondContact O-N 3.45Å; K47-A49 VanDerWaalsContact C-N 3.35Å; K47-L50 PolarHBondContact O-N 3.29Å; K47-N51 WeakPolarHBondContact O-CB 3.47Å; K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 3.19Å; K47-N51 PolarHBondContact O-ND2 2.91Å; K47-L84 HydrophobicContact CG-CD2 4.21Å
48E96.2Very high96.8Very high116 Ų11646 Ų4654%0.54222%0.215SC..Hα-helixtrans-68-36.7179.1-49.883.4174.200111.9R46 L52R46-E48 IonicContact CZ-OE2 2.7Å; R46-E48 VanDerWaalsContact CZ-OE2 3.32Å; R46-E48 IonicContact NE-OE2 3.37Å; R46-E48 PolarHBondContact NE-OE2 3.26Å; R46-E48 IonicContact NH2-OE1 3.23Å; R46-E48 PolarHBondContact NH2-OE1 3.15Å; R46-E48 IonicContact NH2-OE2 3.79Å; R46-E48 PolarHBondContact NH2-OE2 3.41Å; R46-E48 PolarHBondContact O-N 3.39Å; R46-E48 VanDerWaalsContact O-N 3.17Å; E48-L52 WeakPolarHBondContact O-CB 3.48Å; E48-L52 PolarHBondContact O-N 2.82Å
49A96.4Very high96.7Very high6 Ų650 Ų505%0.0523%0.233CC..Hα-helixtrans-69.7-41.8176.600000111.6I10 L41 T44 R46 K47 L52 S53I10-A49 HydrophobicContact CD1-CB 4.16Å; L41-A49 HydrophobicContact CD2-CB 3.71Å; T44-A49 HydrophobicContact CG2-CB 3.39Å; R46-A49 HydrophobicContact CB-CB 3.99Å; R46-A49 WeakPolarHBondContact O-CB 3.49Å; R46-A49 PolarHBondContact O-N 3.49Å; K47-A49 VanDerWaalsContact C-N 3.35Å; A49-L52 PolarHBondContact O-N 2.88Å; A49-S53 WeakPolarHBondContact O-CB 3.36Å; A49-S53 PolarHBondContact O-N 3.29Å
50L97.3Very high96.6Very high2 Ų249.3 Ų49.31%0.0123%0.229CC..Hα-helixtrans-63.9-45176.2-63.2177.7000111.6L42 R46 K47 L52 S53 I54 K83 L84L42-L50 HydrophobicContact CD2-CD2 3.88Å; R46-L50 WeakPolarHBondContact O-CG 3.5Å; R46-L50 PolarHBondContact O-N 2.97Å; K47-L50 PolarHBondContact O-N 3.29Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 2.61Å; L50-S53 WeakPolarHBondContact O-CB 3.44Å; L50-S53 PolarHBondContact O-N 2.89Å; L50-I54 WeakPolarHBondContact O-CG1 3.5Å; L50-I54 PolarHBondContact O-N 3.43Å; L50-K83 HydrophobicContact CD1-CB 3.78Å; L50-K83 HydrophobicContact CD2-CB 4.21Å; L50-K83 HydrophobicContact CD2-CD 4.08Å; L50-L84 HydrophobicContact CB-CD1 4.21Å; L50-L84 HydrophobicContact CB-CD2 3.97Å; L50-L84 HydrophobicContact CB-CG 4.05Å; L50-L84 HydrophobicContact CD1-CD2 3.72Å; L50-L84 HydrophobicContact CD1-CG 4.01Å
51N98.1Very high96.6Very high90 Ų9051.1 Ų51.148%0.48124%0.236SC..Hα-helixtrans-63.2-39175.4-74.5-31.6000112.3K47 I54 K55 L84K47-N51 WeakPolarHBondContact O-CB 3.47Å; K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 3.19Å; K47-N51 PolarHBondContact O-ND2 2.91Å; N51-I54 PolarHBondContact O-N 3.11Å; N51-K55 PolarHBondContact O-N 3.22Å; N51-K55 VanDerWaalsContact O-N 3.07Å; N51-L84 WeakPolarHBondContact OD1-CD1 3.37Å
52L97.7Very high96.5Very high62 Ų6257.1 Ų57.133%0.32527%0.268SS..Hα-helixtrans-64.8-42.4174.6-179.960000111.3Y37 L41 E48 A49 L50 I54 K55 L56Y37-L52 HydrophobicContact CE1-CD2 4.3Å; L41-L52 HydrophobicContact CD1-CB 4.18Å; L41-L52 HydrophobicContact CD1-CD2 3.89Å; L41-L52 HydrophobicContact CD1-CG 3.81Å; L41-L52 HydrophobicContact CD2-CD2 4.38Å; E48-L52 WeakPolarHBondContact O-CB 3.48Å; E48-L52 PolarHBondContact O-N 2.82Å; A49-L52 PolarHBondContact O-N 2.88Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 2.61Å; L52-I54 PolarHBondContact O-N 3.2Å; L52-K55 PolarHBondContact O-N 3.38Å; L52-L56 HydrophobicContact CD1-CD1 4.25Å; L52-L56 HydrophobicContact CD1-CG 4.13Å; L52-L56 HydrophobicContact CG-CD1 4.07Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.08Å
53S98.1Very high96.3Very high0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-57.2-48.8175.2-179.30000111.4A38 L42 A49 L50 K55 L56 L57A38-S53 WeakPolarHBondContact O-CB 3.45Å; A38-S53 PolarHBondContact O-OG 3.01Å; L42-S53 WeakPolarHBondContact CD2-OG 3.41Å; L42-S53 WeakPolarHBondContact CG-OG 3.39Å; A49-S53 WeakPolarHBondContact O-CB 3.36Å; A49-S53 PolarHBondContact O-N 3.29Å; L50-S53 WeakPolarHBondContact O-CB 3.44Å; L50-S53 PolarHBondContact O-N 2.89Å; S53-K55 VanDerWaalsContact C-N 3.35Å; S53-K55 PolarHBondContact O-N 3.17Å; S53-L56 PolarHBondContact O-N 3.03Å; S53-L57 WeakPolarHBondContact O-CB 3.43Å; S53-L57 WeakPolarHBondContact O-CG 3.26Å; S53-L57 PolarHBondContact O-N 3.05Å
54I98.4Very high96.2Very high13 Ų1357.7 Ų57.77%0.06727%0.271CS..Hα-helixtrans-54.9-51.6176.7-70.2165.3000110.4L50 N51 L52 L56 L57 E58 L77 A80 Y81 L84L50-I54 WeakPolarHBondContact O-CG1 3.5Å; L50-I54 PolarHBondContact O-N 3.43Å; N51-I54 PolarHBondContact O-N 3.11Å; L52-I54 PolarHBondContact O-N 3.2Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 3.38Å; I54-L57 PolarHBondContact O-N 3.06Å; I54-E58 HydrophobicContact CG2-CG 4.23Å; I54-E58 WeakPolarHBondContact O-CB 3.32Å; I54-E58 WeakPolarHBondContact O-CG 3.48Å; I54-E58 PolarHBondContact O-N 2.9Å; I54-L77 HydrophobicContact CB-CD2 4.26Å; I54-L77 HydrophobicContact CG1-CD2 4.29Å; I54-L77 HydrophobicContact CG2-CD2 3.98Å; I54-A80 HydrophobicContact CD1-CB 4.07Å; I54-A80 HydrophobicContact CG1-CB 3.54Å; I54-Y81 HydrophobicContact CD1-CD1 3.79Å; I54-Y81 HydrophobicContact CD1-CE1 3.75Å; I54-Y81 HydrophobicContact CG1-CE1 4.32Å; I54-Y81 HydrophobicContact CG2-CE1 4.07Å; I54-L84 HydrophobicContact CD1-CD1 3.48Å; I54-L84 VanDerWaalsContact CD1-CD1 3.48Å
55K98Very high96.2Very high130 Ų13066.9 Ų66.957%0.56531%0.311SS*.Hα-helixtrans-56.8-46.8179.2-177.8-176.2174.7-173.60112.2N51 L52 S53 E58 E59N51-K55 PolarHBondContact O-N 3.22Å; N51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 3.38Å; S53-K55 VanDerWaalsContact C-N 3.35Å; S53-K55 PolarHBondContact O-N 3.17Å; K55-E58 PolarHBondContact O-N 3.33Å; K55-E59 WeakPolarHBondContact O-CB 3.38Å; K55-E59 PolarHBondContact O-N 3.09Å
56L98Very high96.3Very high8 Ų867.8 Ų67.84%0.04231%0.313CS..Hα-helixtrans-66.9-37.9-178.7-68.3176.6000112F20 Q34 Y37 A38 L41 L52 S53 I54 L60F20-L56 HydrophobicContact CE1-CD2 4.41Å; F20-L56 HydrophobicContact CE2-CD2 3.98Å; F20-L56 HydrophobicContact CZ-CD1 4.44Å; F20-L56 HydrophobicContact CZ-CD2 3.58Å; Q34-L56 HydrophobicContact CG-CB 4.35Å; Q34-L56 HydrophobicContact CG-CD2 4.4Å; Q34-L56 PolarHBondContact NE2-O 2.83Å; Y37-L56 HydrophobicContact CD1-CD1 3.6Å; Y37-L56 HydrophobicContact CE1-CD1 3.83Å; A38-L56 HydrophobicContact CB-CB 3.8Å; A38-L56 HydrophobicContact CB-CD1 4.32Å; L41-L56 HydrophobicContact CD1-CD1 3.97Å; L52-L56 HydrophobicContact CD1-CD1 4.25Å; L52-L56 HydrophobicContact CD1-CG 4.13Å; L52-L56 HydrophobicContact CG-CD1 4.07Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.08Å; S53-L56 PolarHBondContact O-N 3.03Å; I54-L56 VanDerWaalsContact C-N 3.34Å; I54-L56 PolarHBondContact O-N 3.38Å; L56-L60 VanDerWaalsContact O-CB 3.26Å; L56-L60 WeakPolarHBondContact O-CB 3.39Å; L56-L60 PolarHBondContact O-N 3.12Å
57L98.2Very high96.2Very high0 Ų066.7 Ų66.70%032%0.317CS..Hα-helixtrans-70.9-40.9176.8-69.6170000111.9F35 A38 S53 I54 L60 F61 L77F35-L57 HydrophobicContact CD2-CD2 4.05Å; F35-L57 HydrophobicContact CE2-CD2 4.2Å; A38-L57 HydrophobicContact CB-CD2 3.82Å; A38-L57 HydrophobicContact CB-CG 3.8Å; S53-L57 WeakPolarHBondContact O-CB 3.43Å; S53-L57 WeakPolarHBondContact O-CG 3.26Å; S53-L57 PolarHBondContact O-N 3.05Å; I54-L57 PolarHBondContact O-N 3.06Å; L57-L60 PolarHBondContact O-N 3.29Å; L57-F61 WeakPolarHBondContact O-CB 3.47Å; L57-F61 PolarHBondContact O-N 3.15Å; L57-L77 HydrophobicContact CB-CD1 4.36Å; L57-L77 HydrophobicContact CB-CD2 3.83Å; L57-L77 HydrophobicContact CB-CG 3.82Å; L57-L77 HydrophobicContact CD1-CD2 4.3Å; L57-L77 HydrophobicContact CD1-CG 4.19Å
58E97.2Very high96.1Very high78 Ų7862 Ų6236%0.36430%0.303SS..Hα-helixtrans-63.4-45175.3-75.3177.7165.100111.6I54 K55 L60 F61 N62 L77 Y81I54-E58 HydrophobicContact CG2-CG 4.23Å; I54-E58 WeakPolarHBondContact O-CB 3.32Å; I54-E58 WeakPolarHBondContact O-CG 3.48Å; I54-E58 PolarHBondContact O-N 2.9Å; K55-E58 PolarHBondContact O-N 3.33Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.35Å; E58-F61 PolarHBondContact O-N 3.27Å; E58-N62 WeakPolarHBondContact O-CB 3.35Å; E58-N62 PolarHBondContact O-N 3.49Å; E58-N62 PolarHBondContact O-ND2 3.16Å; E58-L77 HydrophobicContact CG-CD1 4.32Å; E58-L77 HydrophobicContact CG-CD2 4.02Å; E58-Y81 PolarHBondContact OE1-OH 3.38Å
59E96Very high96.1Very high83 Ų8357.7 Ų57.739%0.38828%0.284SS..Hα-helixtrans-60.6-45.7176.2-176.8179.4164.800111K55 N62 R63K55-E59 WeakPolarHBondContact O-CB 3.38Å; K55-E59 PolarHBondContact O-N 3.09Å; E59-N62 PolarHBondContact O-N 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.36Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 VanDerWaalsContact O-N 3.09Å; E59-R63 IonicContact OE1-NH1 3.57Å
60L96.1Very high96Very high0 Ų059.9 Ų59.90%029%0.293CS..Hα-helixtrans-63.9-46.5178.4-179.759.8000111.7D31 F35 L56 L57 E58 N62 R63 T64 L69D31-L60 HydrophobicContact CB-CD1 3.64Å; D31-L60 WeakPolarHBondContact OD1-CD1 3.43Å; F35-L60 HydrophobicContact CB-CD2 3.58Å; F35-L60 HydrophobicContact CD2-CD2 3.81Å; F35-L60 HydrophobicContact CG-CD2 4.19Å; L56-L60 VanDerWaalsContact O-CB 3.26Å; L56-L60 WeakPolarHBondContact O-CB 3.39Å; L56-L60 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 3.29Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.35Å; L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 2.96Å; L60-R63 PolarHBondContact O-N 3.4Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 VanDerWaalsContact O-CG2 3.25Å; L60-T64 WeakPolarHBondContact O-CG2 3.18Å; L60-T64 PolarHBondContact O-N 3.34Å; L60-L69 HydrophobicContact CD1-CD2 4.17Å; L60-L69 HydrophobicContact CD2-CD1 4.47Å; L60-L69 HydrophobicContact CD2-CD2 4.25Å; L60-L69 HydrophobicContact CD2-CG 4.43Å; L60-L69 HydrophobicContact CG-CD2 4.36Å
61F95.2Very high95.9Very high56 Ų5662.4 Ų62.425%0.24630%0.302CS..Hα-helixtrans-55.7-45.3178.1175.6-93.3000111.9L57 E58 Q70 C73 L74L57-F61 WeakPolarHBondContact O-CB 3.47Å; L57-F61 PolarHBondContact O-N 3.15Å; E58-F61 PolarHBondContact O-N 3.27Å; F61-Q70 HydrophobicContact CD2-CB 3.8Å; F61-Q70 HydrophobicContact CD2-CG 4.02Å; F61-Q70 WeakPolarHBondContact CD2-O 3.25Å; F61-Q70 HydrophobicContact CE2-CB 3.73Å; F61-Q70 HydrophobicContact CE2-CG 4.15Å; F61-Q70 PolarHBondContact O-NE2 3.32Å; F61-C73 HydrophobicContact CB-CB 4.03Å; F61-C73 HydrophobicContact CD2-CB 4.19Å; F61-L74 HydrophobicContact CD2-CD2 4.34Å; F61-L74 HydrophobicContact CD2-CG 4.02Å; F61-L74 HydrophobicContact CE2-CD1 3.77Å; F61-L74 HydrophobicContact CE2-CD2 3.93Å; F61-L74 HydrophobicContact CE2-CG 3.57Å; F61-L74 HydrophobicContact CZ-CD1 4.3Å; F61-L74 HydrophobicContact CZ-CD2 4.27Å; F61-L74 HydrophobicContact CZ-CG 4.31Å
62N95.1Very high95.8Very high128 Ų12861.6 Ų61.668%0.68430%0.298SS*.Hα-helixtrans-73.1-28.3-178.8-71.8-49.3000113.3E58 E59 L60E58-N62 WeakPolarHBondContact O-CB 3.35Å; E58-N62 PolarHBondContact O-N 3.49Å; E58-N62 PolarHBondContact O-ND2 3.16Å; E59-N62 PolarHBondContact O-N 3.26Å; L60-N62 VanDerWaalsContact C-N 3.31Å; L60-N62 PolarHBondContact O-N 2.96Å
63R94.3Very high95.8Very high83 Ų8358.6 Ų58.631%0.31328%0.282SS..Hα-helixtrans-87.3-42.1-177.9-177.8-178.469.3-144.13.3112.7M29 D31 E59 L60M29-R63 VanDerWaalsContact CE-NH1 3.32Å; M29-R63 PolarHBondContact SD-NH1 3.27Å; M29-R63 PolarHBondContact SD-NH2 2.99Å; D31-R63 IonicContact OD1-CZ 3.59Å; D31-R63 IonicContact OD1-NE 2.65Å; D31-R63 PolarHBondContact OD1-NE 3.45Å; D31-R63 IonicContact OD1-NH2 3.42Å; D31-R63 PolarHBondContact OD1-NH2 3.21Å; E59-R63 WeakPolarHBondContact O-CB 3.36Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 VanDerWaalsContact O-N 3.09Å; E59-R63 IonicContact OE1-NH1 3.57Å; L60-R63 PolarHBondContact O-N 3.4Å
64T93.6Very high95.7Very high10 Ų1059.4 Ų59.46%0.06129%0.287CS..  trans-69.5147.7-170.5-163.10000111.3D31 L60 D66 L69 Q70D31-T64 WeakPolarHBondContact OD2-CB 3.48Å; D31-T64 PolarHBondContact OD2-OG1 2.98Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 VanDerWaalsContact O-CG2 3.25Å; L60-T64 WeakPolarHBondContact O-CG2 3.18Å; L60-T64 PolarHBondContact O-N 3.34Å; T64-D66 PolarHBondContact OG1-N 2.83Å; T64-L69 HydrophobicContact CG2-CB 4.3Å; T64-L69 HydrophobicContact CG2-CD2 4.23Å; T64-L69 HydrophobicContact CG2-CG 4.26Å; T64-Q70 HydrophobicContact CG2-CG 3.55Å; T64-Q70 PolarHBondContact O-NE2 2.91Å
65K93.5Very high95.7Very high196 Ų19660.2 Ų60.285%0.85229%0.29SS*.  trans-102.9-0.9175.5-62-174.5-179.1-179.40112.5D67K65-D67 PolarHBondContact O-N 3.42Å
66D94.6Very high95.7Very high87 Ų8757 Ų5747%0.46527%0.274SS..  trans-86.3106.1178.3-176.8-16.9000109.3T64 S68 L69 Q70T64-D66 PolarHBondContact OG1-N 2.83Å; D66-S68 PolarHBondContact O-N 3.43Å; D66-S68 VanDerWaalsContact O-N 3.15Å; D66-S68 WeakPolarHBondContact OD1-CA 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 3.49Å; D66-L69 HydrophobicContact CB-CB 3.92Å; D66-L69 PolarHBondContact O-N 3.37Å; D66-L69 VanDerWaalsContact O-N 3.07Å; D66-L69 PolarHBondContact OD1-N 2.82Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 3.47Å
67D92.9Very high95.7Very high103 Ų10357 Ų5755%0.55127%0.274SS*.Hα-helixtrans-56.4-29.4177.8-63.5-17.5000112.5K65 R71K65-D67 PolarHBondContact O-N 3.42Å; D67-R71 WeakPolarHBondContact O-CG 3.35Å; D67-R71 VanDerWaalsContact O-CZ 3.31Å; D67-R71 PolarHBondContact O-N 3.06Å; D67-R71 VanDerWaalsContact O-N 3.14Å; D67-R71 PolarHBondContact O-NH1 3.42Å; D67-R71 VanDerWaalsContact O-NH1 3.07Å
68S93.9Very high95.6Very high52 Ų5257 Ų5736%0.36427%0.274SS..Hα-helixtrans-69.3-48.3175.5-158.90000111.3D66 Q70 R71 D72D66-S68 PolarHBondContact O-N 3.43Å; D66-S68 VanDerWaalsContact O-N 3.15Å; D66-S68 WeakPolarHBondContact OD1-CA 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 3.49Å; S68-Q70 VanDerWaalsContact C-N 3.26Å; S68-Q70 PolarHBondContact O-N 3.49Å; S68-R71 PolarHBondContact O-N 3.05Å; S68-R71 VanDerWaalsContact O-N 3.16Å; S68-D72 PolarHBondContact O-N 2.85Å
69L95Very high95.6Very high25 Ų2553.6 Ų53.613%0.13126%0.259CS..Hα-helixtrans-64.1-34.5177.1-173.958.7000111.7D31 F35 L60 T64 D66 D72 C73D31-L69 HydrophobicContact CB-CD2 3.89Å; F35-L69 HydrophobicContact CB-CD1 4.41Å; F35-L69 HydrophobicContact CD2-CD1 3.67Å; F35-L69 HydrophobicContact CE2-CD1 3.96Å; F35-L69 HydrophobicContact CG-CD1 3.95Å; F35-L69 HydrophobicContact CZ-CD1 4.48Å; L60-L69 HydrophobicContact CD1-CD2 4.17Å; L60-L69 HydrophobicContact CD2-CD1 4.47Å; L60-L69 HydrophobicContact CD2-CD2 4.25Å; L60-L69 HydrophobicContact CD2-CG 4.43Å; L60-L69 HydrophobicContact CG-CD2 4.36Å; T64-L69 HydrophobicContact CG2-CB 4.3Å; T64-L69 HydrophobicContact CG2-CD2 4.23Å; T64-L69 HydrophobicContact CG2-CG 4.26Å; D66-L69 HydrophobicContact CB-CB 3.92Å; D66-L69 PolarHBondContact O-N 3.37Å; D66-L69 VanDerWaalsContact O-N 3.07Å; D66-L69 PolarHBondContact OD1-N 2.82Å; L69-D72 PolarHBondContact O-N 3.11Å; L69-C73 WeakPolarHBondContact O-CB 3.46Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 3.34Å
70Q95.2Very high95.7Very high51 Ų5149.6 Ų49.624%0.23824%0.24CC..Hα-helixtrans-61.2-44.7172.8-74.6-173.8-13.200112.3F61 T64 D66 S68 D72 C73 L74F61-Q70 HydrophobicContact CD2-CB 3.8Å; F61-Q70 HydrophobicContact CD2-CG 4.02Å; F61-Q70 WeakPolarHBondContact CD2-O 3.25Å; F61-Q70 HydrophobicContact CE2-CB 3.73Å; F61-Q70 HydrophobicContact CE2-CG 4.15Å; F61-Q70 PolarHBondContact O-NE2 3.32Å; T64-Q70 HydrophobicContact CG2-CG 3.55Å; T64-Q70 PolarHBondContact O-NE2 2.91Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 3.47Å; S68-Q70 VanDerWaalsContact C-N 3.26Å; S68-Q70 PolarHBondContact O-N 3.49Å; Q70-D72 VanDerWaalsContact C-N 3.34Å; Q70-C73 WeakPolarHBondContact O-CB 3.21Å; Q70-C73 PolarHBondContact O-N 3.35Å; Q70-L74 PolarHBondContact O-N 3.4Å
71R95.1Very high95.7Very high56 Ų5651 Ų5121%0.21125%0.245CC..Hα-helixtrans-63.6-41175.4-72.8-176.1-58.3-893.3111.8D67 S68 C73 L74 F75D67-R71 WeakPolarHBondContact O-CG 3.35Å; D67-R71 VanDerWaalsContact O-CZ 3.31Å; D67-R71 PolarHBondContact O-N 3.06Å; D67-R71 VanDerWaalsContact O-N 3.14Å; D67-R71 PolarHBondContact O-NH1 3.42Å; D67-R71 VanDerWaalsContact O-NH1 3.07Å; S68-R71 PolarHBondContact O-N 3.05Å; S68-R71 VanDerWaalsContact O-N 3.16Å; R71-C73 VanDerWaalsContact C-N 3.34Å; R71-L74 PolarHBondContact O-N 3.29Å; R71-F75 PolarHBondContact O-N 3.48Å
72D96.2Very high95.7Very high72 Ų7248.4 Ų48.439%0.38523%0.234SC..Hα-helixtrans-62.8-42.4175.9-67.7-22.8000110.8F35 S68 L69 Q70 L74 F75 Y76F35-D72 HydrophobicContact CE2-CB 3.96Å; F35-D72 HydrophobicContact CZ-CB 3.83Å; S68-D72 PolarHBondContact O-N 2.85Å; L69-D72 PolarHBondContact O-N 3.11Å; Q70-D72 VanDerWaalsContact C-N 3.34Å; D72-L74 PolarHBondContact O-N 3.07Å; D72-F75 WeakPolarHBondContact O-CB 3.48Å; D72-F75 PolarHBondContact O-N 3.46Å; D72-F75 VanDerWaalsContact O-N 3.16Å; D72-Y76 WeakPolarHBondContact O-CD2 3.36Å; D72-Y76 PolarHBondContact O-N 2.65Å
73C97.1Very high95.8Very high0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-58.6-46.1174-68.80000111.8F61 L69 Q70 R71 F75 Y76 L77F61-C73 HydrophobicContact CB-CB 4.03Å; F61-C73 HydrophobicContact CD2-CB 4.19Å; L69-C73 WeakPolarHBondContact O-CB 3.46Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 3.34Å; Q70-C73 WeakPolarHBondContact O-CB 3.21Å; Q70-C73 PolarHBondContact O-N 3.35Å; R71-C73 VanDerWaalsContact C-N 3.34Å; C73-F75 VanDerWaalsContact C-N 3.29Å; C73-F75 PolarHBondContact O-N 2.98Å; C73-Y76 PolarHBondContact O-N 2.98Å; C73-L77 WeakPolarHBondContact O-CB 3.4Å; C73-L77 VanDerWaalsContact O-CG 3.31Å; C73-L77 WeakPolarHBondContact O-CG 3.46Å; C73-L77 PolarHBondContact O-N 2.98Å
74L96.5Very high95.8Very high17 Ų1742.3 Ų42.39%0.08921%0.206CC..Hα-helixtrans-60.6-39.4175.9-73174.1000112F61 Q70 R71 D72 L77 A78 N96 I97F61-L74 HydrophobicContact CD2-CD2 4.34Å; F61-L74 HydrophobicContact CD2-CG 4.02Å; F61-L74 HydrophobicContact CE2-CD1 3.77Å; F61-L74 HydrophobicContact CE2-CD2 3.93Å; F61-L74 HydrophobicContact CE2-CG 3.57Å; F61-L74 HydrophobicContact CZ-CD1 4.3Å; F61-L74 HydrophobicContact CZ-CD2 4.27Å; F61-L74 HydrophobicContact CZ-CG 4.31Å; Q70-L74 PolarHBondContact O-N 3.4Å; R71-L74 PolarHBondContact O-N 3.29Å; D72-L74 PolarHBondContact O-N 3.07Å; L74-L77 HydrophobicContact CD2-CD1 4.47Å; L74-L77 PolarHBondContact O-N 3.24Å; L74-A78 PolarHBondContact O-N 3.36Å; L74-N96 HydrophobicContact CD1-CB 4.13Å; L74-I97 HydrophobicContact CB-CD1 3.77Å; L74-I97 HydrophobicContact CB-CG1 3.73Å; L74-I97 HydrophobicContact CD1-CG1 4.09Å
75F97.4Very high95.9Very high30 Ų3044.6 Ų44.613%0.13222%0.222CC..Hα-helixtrans-62.5-46.8178.2-178-90.8000111R71 D72 C73 A78 V79 I97 Q106 V107 L110R71-F75 PolarHBondContact O-N 3.48Å; D72-F75 WeakPolarHBondContact O-CB 3.48Å; D72-F75 PolarHBondContact O-N 3.46Å; D72-F75 VanDerWaalsContact O-N 3.16Å; C73-F75 VanDerWaalsContact C-N 3.29Å; C73-F75 PolarHBondContact O-N 2.98Å; F75-A78 WeakPolarHBondContact O-CB 3.32Å; F75-A78 PolarHBondContact O-N 3.2Å; F75-V79 HydrophobicContact CE1-CG2 4.24Å; F75-V79 PolarHBondContact O-N 3.34Å; F75-I97 HydrophobicContact CB-CD1 4.04Å; F75-Q106 HydrophobicContact CE2-CG 3.84Å; F75-Q106 HydrophobicContact CZ-CG 4.02Å; F75-Q106 VanDerWaalsContact CZ-NE2 3.3Å; F75-V107 HydrophobicContact CD2-CG2 4.11Å; F75-V107 HydrophobicContact CE2-CG2 4.49Å; F75-L110 HydrophobicContact CD2-CD2 3.93Å; F75-L110 HydrophobicContact CE2-CB 4.35Å; F75-L110 HydrophobicContact CE2-CD2 3.61Å; F75-L110 HydrophobicContact CZ-CD2 3.98Å
76Y97.9Very high95.9Very high63 Ų6337.8 Ų37.825%0.24720%0.195CC..Hα-helixtrans-74.2-27.9179.1-72.9-71.2000113.3L3 F35 V39 L42 D72 C73 V79 A80L3-Y76 HydrophobicContact CD2-CD1 4.14Å; L3-Y76 HydrophobicContact CD2-CE1 4.08Å; F35-Y76 HydrophobicContact CE1-CD2 4.48Å; F35-Y76 HydrophobicContact CE1-CE2 4.18Å; F35-Y76 AromaticContact CE2-CD2 3.9Å; F35-Y76 HydrophobicContact CE2-CD2 3.9Å; F35-Y76 HydrophobicContact CE2-CE2 4.35Å; F35-Y76 AromaticContact CZ-CD2 3.49Å; F35-Y76 HydrophobicContact CZ-CD2 3.49Å; F35-Y76 VanDerWaalsContact CZ-CD2 3.49Å; F35-Y76 AromaticContact CZ-CE2 3.48Å; F35-Y76 HydrophobicContact CZ-CE2 3.48Å; F35-Y76 VanDerWaalsContact CZ-CE2 3.48Å; V39-Y76 HydrophobicContact CB-CE1 4.46Å; V39-Y76 HydrophobicContact CG1-CD1 4Å; V39-Y76 HydrophobicContact CG1-CE1 3.58Å; V39-Y76 HydrophobicContact CG2-CD1 3.88Å; V39-Y76 HydrophobicContact CG2-CD2 3.69Å; V39-Y76 HydrophobicContact CG2-CE1 4.03Å; V39-Y76 HydrophobicContact CG2-CE2 3.9Å; V39-Y76 HydrophobicContact CG2-CG 3.7Å; L42-Y76 HydrophobicContact CD1-CD1 3.87Å; L42-Y76 HydrophobicContact CD1-CG 4.35Å; L42-Y76 WeakPolarHBondContact CD1-O 3.39Å; D72-Y76 WeakPolarHBondContact O-CD2 3.36Å; D72-Y76 PolarHBondContact O-N 2.65Å; C73-Y76 PolarHBondContact O-N 2.98Å; Y76-V79 WeakPolarHBondContact O-CB 3.41Å; Y76-V79 PolarHBondContact O-N 2.94Å; Y76-A80 WeakPolarHBondContact O-CB 3.48Å; Y76-A80 PolarHBondContact O-N 2.98Å
77L97.9Very high95.9Very high8 Ų834 Ų344%0.04217%0.174CC..Hα-helixtrans-62.5-44.3168.2-80167.4000111.2I54 L57 E58 C73 L74 V79 A80 Y81I54-L77 HydrophobicContact CB-CD2 4.26Å; I54-L77 HydrophobicContact CG1-CD2 4.29Å; I54-L77 HydrophobicContact CG2-CD2 3.98Å; L57-L77 HydrophobicContact CB-CD1 4.36Å; L57-L77 HydrophobicContact CB-CD2 3.83Å; L57-L77 HydrophobicContact CB-CG 3.82Å; L57-L77 HydrophobicContact CD1-CD2 4.3Å; L57-L77 HydrophobicContact CD1-CG 4.19Å; E58-L77 HydrophobicContact CG-CD1 4.32Å; E58-L77 HydrophobicContact CG-CD2 4.02Å; C73-L77 WeakPolarHBondContact O-CB 3.4Å; C73-L77 VanDerWaalsContact O-CG 3.31Å; C73-L77 WeakPolarHBondContact O-CG 3.46Å; C73-L77 PolarHBondContact O-N 2.98Å; L74-L77 HydrophobicContact CD2-CD1 4.47Å; L74-L77 PolarHBondContact O-N 3.24Å; L77-V79 VanDerWaalsContact C-N 3.27Å; L77-V79 PolarHBondContact O-N 3.24Å; L77-A80 WeakPolarHBondContact O-CB 3.31Å; L77-A80 PolarHBondContact O-N 2.97Å; L77-A80 VanDerWaalsContact O-N 3.11Å; L77-Y81 HydrophobicContact CB-CD2 4.38Å; L77-Y81 HydrophobicContact CB-CE2 4.15Å; L77-Y81 HydrophobicContact CD2-CE2 4.17Å; L77-Y81 WeakPolarHBondContact O-CD2 3.04Å; L77-Y81 PolarHBondContact O-N 3.46Å
78A96.7Very high95.8Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-56.9-43.9174.900000111.2L74 F75 T82 C93 L110 I114L74-A78 PolarHBondContact O-N 3.36Å; F75-A78 WeakPolarHBondContact O-CB 3.32Å; F75-A78 PolarHBondContact O-N 3.2Å; A78-T82 WeakPolarHBondContact O-CB 3.33Å; A78-T82 PolarHBondContact O-N 2.63Å; A78-T82 PolarHBondContact O-OG1 3.29Å; A78-C93 HydrophobicContact CB-CB 3.68Å; A78-L110 HydrophobicContact CB-CD2 3.81Å; A78-I114 HydrophobicContact CB-CD1 4.49Å
79V97.6Very high95.8Very high5 Ų533.3 Ų33.33%0.0316%0.164CC..Hα-helixtrans-60.7-47.2174.5173.90000111.3L3 L4 L42 F75 Y76 L77 T82 K83 L110L3-V79 HydrophobicContact CB-CG1 4.12Å; L3-V79 HydrophobicContact CD2-CG1 4.06Å; L4-V79 HydrophobicContact CD2-CB 4.32Å; L4-V79 HydrophobicContact CD2-CG1 3.9Å; L4-V79 HydrophobicContact CD2-CG2 4.37Å; L42-V79 HydrophobicContact CD1-CB 4.4Å; L42-V79 HydrophobicContact CD1-CG1 4.21Å; F75-V79 HydrophobicContact CE1-CG2 4.24Å; F75-V79 PolarHBondContact O-N 3.34Å; Y76-V79 WeakPolarHBondContact O-CB 3.41Å; Y76-V79 PolarHBondContact O-N 2.94Å; L77-V79 VanDerWaalsContact C-N 3.27Å; L77-V79 PolarHBondContact O-N 3.24Å; V79-T82 WeakPolarHBondContact O-CB 3.43Å; V79-T82 PolarHBondContact O-N 2.7Å; V79-K83 WeakPolarHBondContact O-CG 3.33Å; V79-K83 PolarHBondContact O-N 3.45Å; V79-L110 HydrophobicContact CG2-CD1 4.34Å; V79-L110 HydrophobicContact CG2-CD2 4.16Å
80A97.4Very high95.8Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-60.6-50.1-178.800000112.5L42 I54 Y76 L77 T82 K83 L84L42-A80 HydrophobicContact CD2-CB 3.47Å; L42-A80 VanDerWaalsContact CD2-CB 3.47Å; I54-A80 HydrophobicContact CD1-CB 4.07Å; I54-A80 HydrophobicContact CG1-CB 3.54Å; Y76-A80 WeakPolarHBondContact O-CB 3.48Å; Y76-A80 PolarHBondContact O-N 2.98Å; L77-A80 WeakPolarHBondContact O-CB 3.31Å; L77-A80 PolarHBondContact O-N 2.97Å; L77-A80 VanDerWaalsContact O-N 3.11Å; A80-T82 VanDerWaalsContact C-N 3.31Å; A80-T82 PolarHBondContact O-N 3.36Å; A80-K83 PolarHBondContact O-N 3.17Å; A80-L84 PolarHBondContact O-N 3.46Å
81Y96.7Very high95.7Very high28 Ų2830.1 Ų30.111%0.1115%0.149CC..Hα-helixtrans-62.2-39.1176.9-70.6-55.5000111.8I54 E58 L77 K83 L84 S85 D86 N89I54-Y81 HydrophobicContact CD1-CD1 3.79Å; I54-Y81 HydrophobicContact CD1-CE1 3.75Å; I54-Y81 HydrophobicContact CG1-CE1 4.32Å; I54-Y81 HydrophobicContact CG2-CE1 4.07Å; E58-Y81 PolarHBondContact OE1-OH 3.38Å; L77-Y81 HydrophobicContact CB-CD2 4.38Å; L77-Y81 HydrophobicContact CB-CE2 4.15Å; L77-Y81 HydrophobicContact CD2-CE2 4.17Å; L77-Y81 WeakPolarHBondContact O-CD2 3.04Å; L77-Y81 PolarHBondContact O-N 3.46Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.23Å; Y81-L84 CarbonylContact O-C 3.32Å; Y81-L84 PolarHBondContact O-N 3.15Å; Y81-S85 PolarHBondContact O-N 3.14Å; Y81-D86 WeakPolarHBondContact CB-O 3.43Å; Y81-D86 HydrophobicContact CD1-CB 4.17Å; Y81-D86 PolarHBondContact O-N 2.91Å; Y81-N89 HydrophobicContact CD1-CB 3.93Å; Y81-N89 HydrophobicContact CD2-CB 3.76Å; Y81-N89 HydrophobicContact CE1-CB 4.07Å; Y81-N89 HydrophobicContact CE2-CB 3.87Å; Y81-N89 HydrophobicContact CG-CB 3.8Å
82T95.8Very high95.7Very high2 Ų233.4 Ų33.41%0.01216%0.161CC..Hα-helixtrans-60.4-41175.7-53.30000112L4 A78 V79 A80 L84 S85 Y87 A90 I114L4-T82 HydrophobicContact CD2-CG2 3.81Å; A78-T82 WeakPolarHBondContact O-CB 3.33Å; A78-T82 PolarHBondContact O-N 2.63Å; A78-T82 PolarHBondContact O-OG1 3.29Å; V79-T82 WeakPolarHBondContact O-CB 3.43Å; V79-T82 PolarHBondContact O-N 2.7Å; A80-T82 VanDerWaalsContact C-N 3.31Å; A80-T82 PolarHBondContact O-N 3.36Å; T82-L84 PolarHBondContact O-N 2.79Å; T82-S85 PolarHBondContact O-N 3.07Å; T82-S85 VanDerWaalsContact O-N 3.11Å; T82-Y87 HydrophobicContact CG2-CE1 4.28Å; T82-A90 WeakPolarHBondContact OG1-CB 3.32Å; T82-I114 HydrophobicContact CG2-CG1 4Å; T82-I114 VanDerWaalsContact OG1-CG1 3.23Å; T82-I114 WeakPolarHBondContact OG1-CG1 3.48Å
83K95.6Very high95.6Very high34 Ų3430.5 Ų30.515%0.14815%0.146CC..Hα-helixtrans-68.3-21.6176.9-68.3-171.774.8164.80113.1L3 K6 L42 T44 L50 V79 A80 Y81L3-K83 PolarHBondContact O-NZ 3.07Å; K6-K83 PolarHBondContact O-NZ 3.07Å; L42-K83 PolarHBondContact O-NZ 3.32Å; T44-K83 WeakPolarHBondContact O-CE 3.16Å; T44-K83 PolarHBondContact O-NZ 3.26Å; L50-K83 HydrophobicContact CD1-CB 3.78Å; L50-K83 HydrophobicContact CD2-CB 4.21Å; L50-K83 HydrophobicContact CD2-CD 4.08Å; V79-K83 WeakPolarHBondContact O-CG 3.33Å; V79-K83 PolarHBondContact O-N 3.45Å; A80-K83 PolarHBondContact O-N 3.17Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.23Å
84L95.7Very high95.5Very high49 Ų4930.5 Ų30.526%0.25715%0.146SC..THydrogen-bonded Turntrans-91.75.3172.9-69.3175.5000113.5K47 L50 N51 I54 A80 Y81 T82 D86K47-L84 HydrophobicContact CG-CD2 4.21Å; L50-L84 HydrophobicContact CB-CD1 4.21Å; L50-L84 HydrophobicContact CB-CD2 3.97Å; L50-L84 HydrophobicContact CB-CG 4.05Å; L50-L84 HydrophobicContact CD1-CD2 3.72Å; L50-L84 HydrophobicContact CD1-CG 4.01Å; N51-L84 WeakPolarHBondContact OD1-CD1 3.37Å; I54-L84 HydrophobicContact CD1-CD1 3.48Å; I54-L84 VanDerWaalsContact CD1-CD1 3.48Å; A80-L84 PolarHBondContact O-N 3.46Å; Y81-L84 CarbonylContact O-C 3.32Å; Y81-L84 PolarHBondContact O-N 3.15Å; T82-L84 PolarHBondContact O-N 2.79Å; L84-D86 PolarHBondContact O-N 3.16Å
85S94.2Very high95.4Very high58 Ų5832.6 Ų32.641%0.40616%0.158SC..THydrogen-bonded Turntrans57.322.3-171.3-59.30000114.1Y81 T82 Y87 D121Y81-S85 PolarHBondContact O-N 3.14Å; T82-S85 PolarHBondContact O-N 3.07Å; T82-S85 VanDerWaalsContact O-N 3.11Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 WeakPolarHBondContact O-CD2 3.39Å; S85-Y87 PolarHBondContact O-N 3.38Å; S85-Y87 VanDerWaalsContact O-N 3.15Å; S85-Y87 PolarHBondContact OG-OH 3.05Å; S85-D121 PolarHBondContact OG-OD2 2.91Å
86D94.1Very high95.2Very high53 Ų5335.3 Ų35.328%0.28317%0.174SC..  trans-86.873.5171.2-173.3-11.6000109.7Y81 L84 E88 N89 A90Y81-D86 WeakPolarHBondContact CB-O 3.43Å; Y81-D86 HydrophobicContact CD1-CB 4.17Å; Y81-D86 PolarHBondContact O-N 2.91Å; L84-D86 PolarHBondContact O-N 3.16Å; D86-E88 PolarHBondContact O-N 3.31Å; D86-N89 PolarHBondContact OD1-N 2.85Å; D86-N89 PolarHBondContact OD1-ND2 3.33Å; D86-N89 PolarHBondContact OD2-ND2 3.31Å; D86-A90 WeakPolarHBondContact O-CB 3.21Å; D86-A90 PolarHBondContact O-N 2.98Å; D86-A90 VanDerWaalsContact O-N 3.08Å
87Y94.2Very high95Very high7 Ų732.5 Ų32.53%0.02716%0.163CC..Hα-helixtrans-69.2-22.2-173.9-55.1-55.2000113.6T82 S85 T91 I114 R117 A118 D121 L123T82-Y87 HydrophobicContact CG2-CE1 4.28Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 WeakPolarHBondContact O-CD2 3.39Å; S85-Y87 PolarHBondContact O-N 3.38Å; S85-Y87 VanDerWaalsContact O-N 3.15Å; S85-Y87 PolarHBondContact OG-OH 3.05Å; Y87-T91 VanDerWaalsContact O-CB 3.3Å; Y87-T91 WeakPolarHBondContact O-CB 3.4Å; Y87-T91 PolarHBondContact O-N 3.01Å; Y87-T91 PolarHBondContact O-OG1 3.2Å; Y87-I114 HydrophobicContact CD1-CG2 4.15Å; Y87-R117 HydrophobicContact CE1-CB 3.78Å; Y87-A118 HydrophobicContact CD1-CB 4.28Å; Y87-A118 VanDerWaalsContact CD2-CA 3.48Å; Y87-A118 HydrophobicContact CD2-CB 3.48Å; Y87-A118 VanDerWaalsContact CD2-CB 3.48Å; Y87-A118 HydrophobicContact CE2-CB 4.07Å; Y87-A118 HydrophobicContact CG-CB 3.59Å; Y87-D121 HydrophobicContact CE2-CB 3.97Å; Y87-D121 PolarHBondContact OH-OD2 2.72Å; Y87-L123 HydrophobicContact CD2-CD2 4.13Å
88E91.5Very high94.8Very high93 Ų9332.9 Ų32.944%0.43517%0.165SC..Hα-helixtrans-70.1-52.6179.1-171.7179.3169.400110.8D86 A90 T91 R92 L126D86-E88 PolarHBondContact O-N 3.31Å; E88-A90 VanDerWaalsContact C-N 3.34Å; E88-T91 PolarHBondContact O-N 2.85Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.09Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NH1 2.7Å; E88-R92 PolarHBondContact OE1-NH1 3.14Å; E88-R92 IonicContact OE1-NH2 2.62Å; E88-R92 PolarHBondContact OE1-NH2 3.38Å; E88-L126 HydrophobicContact CB-CD2 4.29Å
89N94.4Very high94.5Very high48 Ų4836.3 Ų36.326%0.25719%0.193SC..Hα-helixtrans-68.5-36.4176.9-69.2-39.8000111.5Y81 D86 T91 R92 C93Y81-N89 HydrophobicContact CD1-CB 3.93Å; Y81-N89 HydrophobicContact CD2-CB 3.76Å; Y81-N89 HydrophobicContact CE1-CB 4.07Å; Y81-N89 HydrophobicContact CE2-CB 3.87Å; Y81-N89 HydrophobicContact CG-CB 3.8Å; D86-N89 PolarHBondContact OD1-N 2.85Å; D86-N89 PolarHBondContact OD1-ND2 3.33Å; D86-N89 PolarHBondContact OD2-ND2 3.31Å; N89-T91 VanDerWaalsContact C-N 3.35Å; N89-T91 PolarHBondContact O-N 3.31Å; N89-R92 PolarHBondContact O-N 2.82Å; N89-R92 PolarHBondContact OD1-NH1 3.05Å; N89-R92 VanDerWaalsContact OD1-NH1 3.09Å; N89-C93 PolarHBondContact O-N 3.38Å; N89-C93 PolarHBondContact O-SG 3.46Å; N89-C93 VanDerWaalsContact O-SG 3.36Å
90A95Very high94.2Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-57.9-45.8173.600000112.5T82 D86 E88 C93 C94 I114T82-A90 WeakPolarHBondContact OG1-CB 3.32Å; D86-A90 WeakPolarHBondContact O-CB 3.21Å; D86-A90 PolarHBondContact O-N 2.98Å; D86-A90 VanDerWaalsContact O-N 3.08Å; E88-A90 VanDerWaalsContact C-N 3.34Å; A90-C93 PolarHBondContact O-N 3.42Å; A90-C94 PolarHBondContact O-N 2.89Å; A90-I114 HydrophobicContact CB-CD1 3.77Å; A90-I114 HydrophobicContact CB-CG1 4.2Å; A90-I114 HydrophobicContact CB-CG2 4.11Å
91T93.4Very high93.9Very high9 Ų944.8 Ų44.86%0.05524%0.235CC..Hα-helixtrans-66-42.3179-57.50000111.5Y87 E88 N89 C93 C94 D95 I114 V128Y87-T91 VanDerWaalsContact O-CB 3.3Å; Y87-T91 WeakPolarHBondContact O-CB 3.4Å; Y87-T91 PolarHBondContact O-N 3.01Å; Y87-T91 PolarHBondContact O-OG1 3.2Å; E88-T91 PolarHBondContact O-N 2.85Å; N89-T91 VanDerWaalsContact C-N 3.35Å; N89-T91 PolarHBondContact O-N 3.31Å; T91-C93 VanDerWaalsContact C-N 3.31Å; T91-C93 PolarHBondContact O-N 3.17Å; T91-C94 WeakPolarHBondContact O-CB 3.23Å; T91-C94 PolarHBondContact O-N 2.83Å; T91-C94 VanDerWaalsContact O-N 3.15Å; T91-D95 PolarHBondContact O-N 2.95Å; T91-I114 WeakPolarHBondContact OG1-CG2 3.24Å; T91-V128 HydrophobicContact CG2-CG1 3.87Å; T91-V128 HydrophobicContact CG2-CG2 4.3Å
92R93.9Very high93.6Very high125 Ų12548.1 Ų48.147%0.47226%0.26SS..Hα-helixtrans-57.7-42.7175.6-75.6176.9177.71424112.4E88 N89 C94 D95 N96E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.09Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NH1 2.7Å; E88-R92 PolarHBondContact OE1-NH1 3.14Å; E88-R92 IonicContact OE1-NH2 2.62Å; E88-R92 PolarHBondContact OE1-NH2 3.38Å; N89-R92 PolarHBondContact O-N 2.82Å; N89-R92 PolarHBondContact OD1-NH1 3.05Å; N89-R92 VanDerWaalsContact OD1-NH1 3.09Å; R92-C94 PolarHBondContact O-N 3.41Å; R92-D95 PolarHBondContact O-N 3.21Å; R92-N96 VanDerWaalsContact O-CG 3.28Å; R92-N96 PolarHBondContact O-N 3.04Å
93C95.1Very high93.4Very high11 Ų1153.3 Ų53.37%0.07430%0.296CS..Hα-helixtrans-59.5-45.2175.9-71.30000111.7A78 N89 A90 T91 N96 I97A78-C93 HydrophobicContact CB-CB 3.68Å; N89-C93 PolarHBondContact O-N 3.38Å; N89-C93 PolarHBondContact O-SG 3.46Å; N89-C93 VanDerWaalsContact O-SG 3.36Å; A90-C93 PolarHBondContact O-N 3.42Å; T91-C93 VanDerWaalsContact C-N 3.31Å; T91-C93 PolarHBondContact O-N 3.17Å; C93-N96 PolarHBondContact O-N 3.49Å; C93-I97 WeakPolarHBondContact O-CG1 3.42Å; C93-I97 PolarHBondContact O-N 2.84Å
94C94.3Very high93.3Very high0 Ų053.5 Ų53.50%030%0.299CS..Hα-helixtrans-62.6-46.8175.4-68.60000112.4A90 T91 R92 N96 I97 L98 V107 R111A90-C94 PolarHBondContact O-N 2.89Å; T91-C94 WeakPolarHBondContact O-CB 3.23Å; T91-C94 PolarHBondContact O-N 2.83Å; T91-C94 VanDerWaalsContact O-N 3.15Å; R92-C94 PolarHBondContact O-N 3.41Å; C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 2.69Å; C94-I97 PolarHBondContact O-N 2.76Å; C94-I97 VanDerWaalsContact O-N 3.14Å; C94-L98 WeakPolarHBondContact O-CG 3.33Å; C94-L98 PolarHBondContact O-N 2.9Å; C94-V107 HydrophobicContact CB-CG1 3.92Å; C94-R111 HydrophobicContact CB-CB 3.96Å; C94-R111 HydrophobicContact CB-CG 4.15Å
95D93.7Very high93.2Very high61 Ų6158.5 Ų58.533%0.32632%0.321SS..Hα-helixtrans-60-39-179.5-70.1-18.4000111.4T91 R92 I97 L98 A99 R111T91-D95 PolarHBondContact O-N 2.95Å; R92-D95 PolarHBondContact O-N 3.21Å; D95-I97 PolarHBondContact O-N 3.45Å; D95-L98 PolarHBondContact O-N 3.37Å; D95-A99 WeakPolarHBondContact O-CB 3.24Å; D95-A99 PolarHBondContact O-N 3.46Å; D95-R111 IonicContact OD1-CZ 3.36Å; D95-R111 IonicContact OD1-NE 3.29Å; D95-R111 PolarHBondContact OD1-NE 2.66Å; D95-R111 IonicContact OD1-NH2 3.32Å; D95-R111 PolarHBondContact OD1-NH2 3.09Å
96N93Very high93.1Very high88 Ų8861.1 Ų61.147%0.47133%0.327SS..Hα-helixtrans-62.5-40.6176-74.3-15.5000112.6L74 R92 C93 C94L74-N96 HydrophobicContact CD1-CB 4.13Å; R92-N96 VanDerWaalsContact O-CG 3.28Å; R92-N96 PolarHBondContact O-N 3.04Å; C93-N96 PolarHBondContact O-N 3.49Å; C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 2.69Å
97I93.8Very high93.2Very high3 Ų358.7 Ų58.72%0.01531%0.314CS..Hα-helixtrans-69.5-43.7177.5-58.1162.3000110L74 F75 C93 C94 D95 A99 I100 Q101 V107L74-I97 HydrophobicContact CB-CD1 3.77Å; L74-I97 HydrophobicContact CB-CG1 3.73Å; L74-I97 HydrophobicContact CD1-CG1 4.09Å; F75-I97 HydrophobicContact CB-CD1 4.04Å; C93-I97 WeakPolarHBondContact O-CG1 3.42Å; C93-I97 PolarHBondContact O-N 2.84Å; C94-I97 PolarHBondContact O-N 2.76Å; C94-I97 VanDerWaalsContact O-N 3.14Å; D95-I97 PolarHBondContact O-N 3.45Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.48Å; I97-I100 PolarHBondContact O-N 2.87Å; I97-I100 VanDerWaalsContact O-N 3.09Å; I97-Q101 PolarHBondContact O-N 3.37Å; I97-V107 HydrophobicContact CB-CG1 4.13Å; I97-V107 HydrophobicContact CB-CG2 4.28Å; I97-V107 HydrophobicContact CD1-CG1 4.32Å; I97-V107 HydrophobicContact CD1-CG2 4.23Å; I97-V107 HydrophobicContact CG2-CG1 4.36Å; I97-V107 HydrophobicContact CG2-CG2 3.68Å
98L93.9Very high93.2Very high16 Ų1661.5 Ų61.58%0.08433%0.327CS..Hα-helixtrans-67.6-28.3-179-68.7165.2000113C94 D95 I100 Q101 P102 N104 V107 E108C94-L98 WeakPolarHBondContact O-CG 3.33Å; C94-L98 PolarHBondContact O-N 2.9Å; D95-L98 PolarHBondContact O-N 3.37Å; L98-I100 PolarHBondContact O-N 3.43Å; L98-Q101 CarbonylContact O-C 3.59Å; L98-P102 WeakPolarHBondContact O-CA 3.13Å; L98-P102 WeakPolarHBondContact O-CD 3.5Å; L98-P102 WeakPolarHBondContact O-CG 3.23Å; L98-P102 VanDerWaalsContact O-N 3.1Å; L98-N104 HydrophobicContact CD2-CB 4.46Å; L98-V107 HydrophobicContact CD1-CG1 4Å; L98-V107 HydrophobicContact CD2-CB 3.98Å; L98-V107 HydrophobicContact CD2-CG1 3.97Å; L98-V107 HydrophobicContact CG-CB 4.23Å; L98-V107 HydrophobicContact CG-CG1 3.65Å; L98-E108 HydrophobicContact CD1-CG 4.44Å; L98-E108 WeakPolarHBondContact CD1-OE1 3.11Å; L98-E108 HydrophobicContact CD2-CG 3.77Å; L98-E108 WeakPolarHBondContact CD2-OE1 3.46Å
99A90.6Very high93.3Very high72 Ų7262.2 Ų62.260%0.59533%0.331SS*.Hα-helixtrans-60.7-31.317200000112.4D95 I97D95-A99 WeakPolarHBondContact O-CB 3.24Å; D95-A99 PolarHBondContact O-N 3.46Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.48Å
100I91.2Very high93.3Very high115 Ų11560.1 Ų60.159%0.5932%0.32SS*.Hα-helixtrans-93.8-38.4179.4-55.2170000110.9I97 L98 P102I97-I100 PolarHBondContact O-N 2.87Å; I97-I100 VanDerWaalsContact O-N 3.09Å; L98-I100 PolarHBondContact O-N 3.43Å; I100-P102 WeakPolarHBondContact O-CD 3.41Å
101Q90.8Very high93.3Very high69 Ų6961 Ų6132%0.32232%0.323SS..  trans-126.375.4-178-62-175.8-30.500111.1I97 L98 S103 N104I97-Q101 PolarHBondContact O-N 3.37Å; L98-Q101 CarbonylContact O-C 3.59Å; Q101-S103 PolarHBondContact O-N 3.37Å; Q101-S103 VanDerWaalsContact O-N 3.08Å; Q101-N104 HydrophobicContact CB-CB 3.99Å; Q101-N104 VanDerWaalsContact O-CB 3.29Å; Q101-N104 WeakPolarHBondContact O-CB 3.12Å; Q101-N104 PolarHBondContact O-N 3.49Å; Q101-N104 PolarHBondContact OE1-ND2 3.09Å; Q101-N104 VanDerWaalsContact OE1-ND2 3.07Å
102P91.2Very high93.2Very high97 Ų9764.1 Ų64.163%0.6334%0.339SS*.THydrogen-bonded Turntrans-62.4-22.7-173.2-23.633.4000114.6L98 I100L98-P102 WeakPolarHBondContact O-CA 3.13Å; L98-P102 WeakPolarHBondContact O-CD 3.5Å; L98-P102 WeakPolarHBondContact O-CG 3.23Å; L98-P102 VanDerWaalsContact O-N 3.1Å; I100-P102 WeakPolarHBondContact O-CD 3.41Å
103S91.9Very high93.2Very high111 Ų11159.7 Ų59.778%0.77633%0.326SS*.THydrogen-bonded Turntrans-95.513.2179.961.60000113.5Q101 Q105Q101-S103 PolarHBondContact O-N 3.37Å; Q101-S103 VanDerWaalsContact O-N 3.08Å; S103-Q105 PolarHBondContact O-N 2.8Å
104N92.6Very high93.2Very high38 Ų3859.2 Ų59.220%0.20332%0.323CS..  trans-76.791.5-179.6-168.2-30000110.9L98 Q101 Q106 V107 E108L98-N104 HydrophobicContact CD2-CB 4.46Å; Q101-N104 HydrophobicContact CB-CB 3.99Å; Q101-N104 VanDerWaalsContact O-CB 3.29Å; Q101-N104 WeakPolarHBondContact O-CB 3.12Å; Q101-N104 PolarHBondContact O-N 3.49Å; Q101-N104 PolarHBondContact OE1-ND2 3.09Å; Q101-N104 VanDerWaalsContact OE1-ND2 3.07Å; N104-Q106 VanDerWaalsContact C-N 3.26Å; N104-Q106 PolarHBondContact O-N 3.32Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.47Å; N104-Q106 PolarHBondContact OD1-N 3.32Å; N104-V107 HydrophobicContact CB-CB 4.28Å; N104-V107 HydrophobicContact CB-CG2 4.1Å; N104-V107 VanDerWaalsContact CG-CG2 3.44Å; N104-V107 PolarHBondContact O-N 2.88Å; N104-V107 VanDerWaalsContact O-N 3.12Å; N104-V107 PolarHBondContact OD1-N 3.23Å; N104-E108 PolarHBondContact O-N 2.7Å; N104-E108 VanDerWaalsContact O-N 3.09Å
105Q93.8Very high93Very high154 Ų15462 Ų6272%0.7234%0.336SS*.Hα-helixtrans-57.4-37.1-178.6-70.3-173.6-33.300113S103 V107 E108 E109S103-Q105 PolarHBondContact O-N 2.8Å; Q105-V107 VanDerWaalsContact C-N 3.28Å; Q105-V107 PolarHBondContact O-N 2.9Å; Q105-E108 PolarHBondContact O-N 3.5Å; Q105-E109 WeakPolarHBondContact O-CB 3.34Å; Q105-E109 VanDerWaalsContact O-CG 3.31Å; Q105-E109 WeakPolarHBondContact O-CG 3.32Å; Q105-E109 PolarHBondContact O-N 2.97Å
106Q93.5Very high92.9Very high114 Ų11462.2 Ų62.253%0.53334%0.342SS..Hα-helixtrans-62.5-37.4179.5-175.6-176.5-6.300111.9F75 N104 L110F75-Q106 HydrophobicContact CE2-CG 3.84Å; F75-Q106 HydrophobicContact CZ-CG 4.02Å; F75-Q106 VanDerWaalsContact CZ-NE2 3.3Å; N104-Q106 VanDerWaalsContact C-N 3.26Å; N104-Q106 PolarHBondContact O-N 3.32Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.47Å; N104-Q106 PolarHBondContact OD1-N 3.32Å; Q106-L110 PolarHBondContact O-N 3.47Å; Q106-L110 VanDerWaalsContact O-N 3.15Å
107V94.9Very high92.9Very high1 Ų160.7 Ų60.71%0.00633%0.33CS..Hα-helixtrans-77.2-39.5179.3-178.80000111F75 C94 I97 L98 N104 Q105 E109 L110 R111F75-V107 HydrophobicContact CD2-CG2 4.11Å; F75-V107 HydrophobicContact CE2-CG2 4.49Å; C94-V107 HydrophobicContact CB-CG1 3.92Å; I97-V107 HydrophobicContact CB-CG1 4.13Å; I97-V107 HydrophobicContact CB-CG2 4.28Å; I97-V107 HydrophobicContact CD1-CG1 4.32Å; I97-V107 HydrophobicContact CD1-CG2 4.23Å; I97-V107 HydrophobicContact CG2-CG1 4.36Å; I97-V107 HydrophobicContact CG2-CG2 3.68Å; L98-V107 HydrophobicContact CD1-CG1 4Å; L98-V107 HydrophobicContact CD2-CB 3.98Å; L98-V107 HydrophobicContact CD2-CG1 3.97Å; L98-V107 HydrophobicContact CG-CB 4.23Å; L98-V107 HydrophobicContact CG-CG1 3.65Å; N104-V107 HydrophobicContact CB-CB 4.28Å; N104-V107 HydrophobicContact CB-CG2 4.1Å; N104-V107 VanDerWaalsContact CG-CG2 3.44Å; N104-V107 PolarHBondContact O-N 2.88Å; N104-V107 VanDerWaalsContact O-N 3.12Å; N104-V107 PolarHBondContact OD1-N 3.23Å; Q105-V107 VanDerWaalsContact C-N 3.28Å; Q105-V107 PolarHBondContact O-N 2.9Å; V107-E109 VanDerWaalsContact C-N 3.34Å; V107-E109 PolarHBondContact O-N 3.41Å; V107-L110 PolarHBondContact O-N 3.13Å; V107-R111 WeakPolarHBondContact O-CB 3.37Å; V107-R111 PolarHBondContact O-N 3Å
108E94.7Very high92.7Very high66 Ų6660.8 Ų60.831%0.30833%0.331SS..Hα-helixtrans-58.8-45.2172.5-79.4-62.2154.700111.6L98 N104 Q105 L110 R111 N112L98-E108 HydrophobicContact CD1-CG 4.44Å; L98-E108 WeakPolarHBondContact CD1-OE1 3.11Å; L98-E108 HydrophobicContact CD2-CG 3.77Å; L98-E108 WeakPolarHBondContact CD2-OE1 3.46Å; N104-E108 PolarHBondContact O-N 2.7Å; N104-E108 VanDerWaalsContact O-N 3.09Å; Q105-E108 PolarHBondContact O-N 3.5Å; E108-L110 PolarHBondContact O-N 3.39Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 VanDerWaalsContact O-CG 3.22Å; E108-N112 PolarHBondContact O-N 3.5Å; E108-N112 PolarHBondContact O-ND2 3.19Å; E108-N112 VanDerWaalsContact O-ND2 3.08Å
109E94.1Very high92.5Very high108 Ų10867 Ų6751%0.50536%0.357SS..Hα-helixtrans-60-46.8175.5-73.9176.6-173.500111.6M1 Q105 V107 R111 N112 T113M1-E109 HydrophobicContact CE-CB 3.62Å; M1-E109 WeakPolarHBondContact CE-O 3.38Å; Q105-E109 WeakPolarHBondContact O-CB 3.34Å; Q105-E109 VanDerWaalsContact O-CG 3.31Å; Q105-E109 WeakPolarHBondContact O-CG 3.32Å; Q105-E109 PolarHBondContact O-N 2.97Å; V107-E109 VanDerWaalsContact C-N 3.34Å; V107-E109 PolarHBondContact O-N 3.41Å; E109-R111 VanDerWaalsContact C-N 3.33Å; E109-R111 PolarHBondContact O-N 3.46Å; E109-N112 PolarHBondContact O-N 3.05Å; E109-T113 PolarHBondContact O-N 2.91Å; E109-T113 PolarHBondContact O-OG1 3.09Å
110L94.7Very high92.4Very high5 Ų570 Ų703%0.02636%0.363CS..Hα-helixtrans-58.4-45.9176.1176.958.9000111.5L4 F75 A78 V79 Q106 V107 E108 N112 T113 I114L4-L110 HydrophobicContact CD1-CD1 3.84Å; L4-L110 HydrophobicContact CD2-CD1 4.32Å; L4-L110 HydrophobicContact CG-CD1 4.47Å; F75-L110 HydrophobicContact CD2-CD2 3.93Å; F75-L110 HydrophobicContact CE2-CB 4.35Å; F75-L110 HydrophobicContact CE2-CD2 3.61Å; F75-L110 HydrophobicContact CZ-CD2 3.98Å; A78-L110 HydrophobicContact CB-CD2 3.81Å; V79-L110 HydrophobicContact CG2-CD1 4.34Å; V79-L110 HydrophobicContact CG2-CD2 4.16Å; Q106-L110 PolarHBondContact O-N 3.47Å; Q106-L110 VanDerWaalsContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 3.13Å; E108-L110 PolarHBondContact O-N 3.39Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 3.44Å; L110-T113 WeakPolarHBondContact O-CB 3.44Å; L110-T113 PolarHBondContact O-N 2.95Å; L110-I114 HydrophobicContact CD1-CD1 4.19Å; L110-I114 HydrophobicContact CD1-CG1 4.4Å; L110-I114 HydrophobicContact CG-CD1 3.94Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.41Å; L110-I114 PolarHBondContact O-N 3.49Å
111R93.5Very high92.2Very high18 Ų1868.8 Ų68.87%0.06836%0.358CS..Hα-helixtrans-60.2-42.8177.8-172.6178.4-177.4-94.70.1112.1C94 D95 V107 E108 E109 I114 Q115 V129C94-R111 HydrophobicContact CB-CB 3.96Å; C94-R111 HydrophobicContact CB-CG 4.15Å; D95-R111 IonicContact OD1-CZ 3.36Å; D95-R111 IonicContact OD1-NE 3.29Å; D95-R111 PolarHBondContact OD1-NE 2.66Å; D95-R111 IonicContact OD1-NH2 3.32Å; D95-R111 PolarHBondContact OD1-NH2 3.09Å; V107-R111 WeakPolarHBondContact O-CB 3.37Å; V107-R111 PolarHBondContact O-N 3Å; E108-R111 PolarHBondContact O-N 3.31Å; E109-R111 VanDerWaalsContact C-N 3.33Å; E109-R111 PolarHBondContact O-N 3.46Å; R111-I114 WeakPolarHBondContact O-CB 3.38Å; R111-I114 PolarHBondContact O-N 3.42Å; R111-Q115 VanDerWaalsContact NH1-NE2 3.15Å; R111-Q115 WeakPolarHBondContact O-CG 3.26Å; R111-Q115 PolarHBondContact O-N 2.62Å; R111-V129 PolarHBondContact NH2-O 3.33Å
112N93Very high91.7Very high75 Ų7567.9 Ų67.940%0.40137%0.368SS..Hα-helixtrans-65.4-38.4176-69.9-33.1000111.9E108 E109 L110 Q115 S116E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 VanDerWaalsContact O-CG 3.22Å; E108-N112 PolarHBondContact O-N 3.5Å; E108-N112 PolarHBondContact O-ND2 3.19Å; E108-N112 VanDerWaalsContact O-ND2 3.08Å; E109-N112 PolarHBondContact O-N 3.05Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 3.44Å; N112-Q115 PolarHBondContact O-N 2.98Å; N112-S116 WeakPolarHBondContact O-CB 3.4Å; N112-S116 PolarHBondContact O-N 3.02Å; N112-S116 PolarHBondContact O-OG 2.92Å
113T93.8Very high90.9Very high32 Ų3267 Ų6720%0.19636%0.357CS..Hα-helixtrans-65-41.1173.1-63.90000112M1 L4 E109 L110 S116 R117M1-T113 WeakPolarHBondContact CE-OG1 3.26Å; L4-T113 HydrophobicContact CD1-CG2 3.8Å; E109-T113 PolarHBondContact O-N 2.91Å; E109-T113 PolarHBondContact O-OG1 3.09Å; L110-T113 WeakPolarHBondContact O-CB 3.44Å; L110-T113 PolarHBondContact O-N 2.95Å; T113-S116 PolarHBondContact O-N 3.34Å; T113-R117 HydrophobicContact CG2-CG 4.5Å; T113-R117 WeakPolarHBondContact O-CG 3.44Å; T113-R117 PolarHBondContact O-N 3.36Å
114I93.7Very high89.2Confident0 Ų067 Ų670%035%0.352CS..Hα-helixtrans-58.3-50.6175.1-71.5161.8000110.6A78 T82 Y87 A90 T91 L110 R111 S116 R117 A118A78-I114 HydrophobicContact CB-CD1 4.49Å; T82-I114 HydrophobicContact CG2-CG1 4Å; T82-I114 VanDerWaalsContact OG1-CG1 3.23Å; T82-I114 WeakPolarHBondContact OG1-CG1 3.48Å; Y87-I114 HydrophobicContact CD1-CG2 4.15Å; A90-I114 HydrophobicContact CB-CD1 3.77Å; A90-I114 HydrophobicContact CB-CG1 4.2Å; A90-I114 HydrophobicContact CB-CG2 4.11Å; T91-I114 WeakPolarHBondContact OG1-CG2 3.24Å; L110-I114 HydrophobicContact CD1-CD1 4.19Å; L110-I114 HydrophobicContact CD1-CG1 4.4Å; L110-I114 HydrophobicContact CG-CD1 3.94Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.41Å; L110-I114 PolarHBondContact O-N 3.49Å; R111-I114 WeakPolarHBondContact O-CB 3.38Å; R111-I114 PolarHBondContact O-N 3.42Å; I114-S116 VanDerWaalsContact C-N 3.29Å; I114-S116 PolarHBondContact O-N 2.81Å; I114-R117 PolarHBondContact O-N 3.1Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 2.73Å
115Q91.3Very high87.3Confident59 Ų5968.6 Ų68.628%0.27638%0.378SS..Hα-helixtrans-59.4-41.3177.6-71.2173.514.900112.2R111 N112 A118 K119 V128R111-Q115 VanDerWaalsContact NH1-NE2 3.15Å; R111-Q115 WeakPolarHBondContact O-CG 3.26Å; R111-Q115 PolarHBondContact O-N 2.62Å; N112-Q115 PolarHBondContact O-N 2.98Å; Q115-A118 PolarHBondContact O-N 3.42Å; Q115-K119 WeakPolarHBondContact O-CB 3.39Å; Q115-K119 PolarHBondContact O-N 2.9Å; Q115-V128 HydrophobicContact CG-CB 4.2Å; Q115-V128 HydrophobicContact CG-CG1 4.09Å; Q115-V128 HydrophobicContact CG-CG2 4.06Å
116S91.3Very high85.5Confident66 Ų6663.8 Ų63.846%0.46236%0.357SS..Hα-helixtrans-64.1-43.1178-60.10000111.6N112 T113 I114 K119 N120N112-S116 WeakPolarHBondContact O-CB 3.4Å; N112-S116 PolarHBondContact O-N 3.02Å; N112-S116 PolarHBondContact O-OG 2.92Å; T113-S116 PolarHBondContact O-N 3.34Å; I114-S116 VanDerWaalsContact C-N 3.29Å; I114-S116 PolarHBondContact O-N 2.81Å; S116-K119 PolarHBondContact O-N 3.41Å; S116-N120 PolarHBondContact O-N 3Å; S116-N120 PolarHBondContact O-ND2 3.1Å
117R92.3Very high83.6Confident56 Ų5662.6 Ų62.621%0.21137%0.367CS..Hα-helixtrans-65.2-46.4175.2-71.5-174.5-173.9-148.5-4.5111.8L4 D5 Y87 T113 I114 K119 N120 D121L4-R117 PolarHBondContact O-NH1 2.68Å; D5-R117 IonicContact OD1-CZ 3.43Å; D5-R117 IonicContact OD1-NH1 2.73Å; D5-R117 IonicContact OD1-NH2 3.24Å; D5-R117 PolarHBondContact OD1-NH2 3.16Å; D5-R117 IonicContact OD2-NH2 3.4Å; D5-R117 PolarHBondContact OD2-NH2 3.19Å; Y87-R117 HydrophobicContact CE1-CB 3.78Å; T113-R117 HydrophobicContact CG2-CG 4.5Å; T113-R117 WeakPolarHBondContact O-CG 3.44Å; T113-R117 PolarHBondContact O-N 3.36Å; I114-R117 PolarHBondContact O-N 3.1Å; R117-K119 VanDerWaalsContact C-N 3.28Å; R117-K119 PolarHBondContact O-N 3.24Å; R117-N120 PolarHBondContact O-N 3.35Å; R117-D121 PolarHBondContact O-N 2.68Å
118A90.4Very high81.6Confident5 Ų564.5 Ų64.54%0.04138%0.378CS..Hα-helixtrans-55.7-43.5176.100000112.3Y87 I114 Q115 D121 G122 L123Y87-A118 HydrophobicContact CD1-CB 4.28Å; Y87-A118 VanDerWaalsContact CD2-CA 3.48Å; Y87-A118 HydrophobicContact CD2-CB 3.48Å; Y87-A118 VanDerWaalsContact CD2-CB 3.48Å; Y87-A118 HydrophobicContact CE2-CB 4.07Å; Y87-A118 HydrophobicContact CG-CB 3.59Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 2.73Å; Q115-A118 PolarHBondContact O-N 3.42Å; A118-D121 PolarHBondContact O-N 3.38Å; A118-G122 PolarHBondContact O-N 3.37Å; A118-L123 HydrophobicContact CB-CB 4.48Å; A118-L123 CarbonylContact O-C 3.49Å; A118-L123 WeakPolarHBondContact O-CA 3.47Å; A118-L123 WeakPolarHBondContact O-CB 3.36Å; A118-L123 PolarHBondContact O-N 3.01Å
119K88.3Confident79.6Confident146 Ų14666.2 Ų66.264%0.63539%0.394SS*.Hα-helixtrans-63.2-43.8175.5-174.1-178.2-177.9-175.30112.1Q115 S116 R117 D121 G122 T124Q115-K119 WeakPolarHBondContact O-CB 3.39Å; Q115-K119 PolarHBondContact O-N 2.9Å; S116-K119 PolarHBondContact O-N 3.41Å; R117-K119 VanDerWaalsContact C-N 3.28Å; R117-K119 PolarHBondContact O-N 3.24Å; K119-D121 VanDerWaalsContact C-N 3.33Å; K119-G122 PolarHBondContact O-N 3.39Å; K119-G122 VanDerWaalsContact O-N 3.15Å; K119-T124 HydrophobicContact CG-CG2 4.08Å
120N88.5Confident77.4Confident134 Ų13462.9 Ų62.972%0.71739%0.388SS*.Hα-helixtrans-66.1-35.2179.6-69.7-18.5000112.4S116 R117 G122S116-N120 PolarHBondContact O-N 3Å; S116-N120 PolarHBondContact O-ND2 3.1Å; R117-N120 PolarHBondContact O-N 3.35Å; N120-G122 PolarHBondContact O-N 3.27Å
121D88.3Confident75.1Confident90 Ų9066.1 Ų66.148%0.48142%0.423SS..THydrogen-bonded Turntrans-763.3175.3-79.427.7000112.7S85 Y87 R117 A118 K119 L123S85-D121 PolarHBondContact OG-OD2 2.91Å; Y87-D121 HydrophobicContact CE2-CB 3.97Å; Y87-D121 PolarHBondContact OH-OD2 2.72Å; R117-D121 PolarHBondContact O-N 2.68Å; A118-D121 PolarHBondContact O-N 3.38Å; K119-D121 VanDerWaalsContact C-N 3.33Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 HydrophobicContact CB-CD1 4.05Å; D121-L123 PolarHBondContact O-N 3.3Å
122G80.9Confident72.7Confident51 Ų5170 Ų7053%0.52646%0.458SS..THydrogen-bonded Turntrans79.83.9178.700000114.2A118 K119 N120 T124A118-G122 PolarHBondContact O-N 3.37Å; K119-G122 PolarHBondContact O-N 3.39Å; K119-G122 VanDerWaalsContact O-N 3.15Å; N120-G122 PolarHBondContact O-N 3.27Å; G122-T124 PolarHBondContact O-N 3.02Å; G122-T124 PolarHBondContact O-OG1 3.33Å
123L73.7Confident70.4Confident77 Ų7771.6 Ų71.640%0.40347%0.471SS..  trans-77.852.3173.3-79.782.2000111.3Y87 A118 D121 G125 L126Y87-L123 HydrophobicContact CD2-CD2 4.13Å; A118-L123 HydrophobicContact CB-CB 4.48Å; A118-L123 CarbonylContact O-C 3.49Å; A118-L123 WeakPolarHBondContact O-CA 3.47Å; A118-L123 WeakPolarHBondContact O-CB 3.36Å; A118-L123 PolarHBondContact O-N 3.01Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 HydrophobicContact CB-CD1 4.05Å; D121-L123 PolarHBondContact O-N 3.3Å; L123-G125 PolarHBondContact O-N 2.87Å; L123-G125 VanDerWaalsContact O-N 3.15Å; L123-L126 HydrophobicContact CD2-CD1 4.16Å; L123-L126 PolarHBondContact O-N 3.35Å
124T55.3Low68Low111 Ų11177.6 Ų77.668%0.68150%0.501SS*.THydrogen-bonded Turntrans-69.5-4.2175.142.90000113.5K119 G122K119-T124 HydrophobicContact CG-CG2 4.08Å; G122-T124 PolarHBondContact O-N 3.02Å; G122-T124 PolarHBondContact O-OG1 3.33Å
125G54.1Low65.3Low73 Ų7380.6 Ų80.675%0.75353%0.531SS*.THydrogen-bonded Turntrans-89.9-7.7175.700000115.1L123 A127L123-G125 PolarHBondContact O-N 2.87Å; L123-G125 VanDerWaalsContact O-N 3.15Å; G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 3.48Å
126L54.4Low63Low52 Ų5283.6 Ų83.627%0.27257%0.567SS.*  trans-69.297.3165.9-111.6101.7000107.2E88 L123 V128E88-L126 HydrophobicContact CB-CD2 4.29Å; L123-L126 HydrophobicContact CD2-CD1 4.16Å; L123-L126 PolarHBondContact O-N 3.35Å; L126-V128 HydrophobicContact CB-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 PolarHBondContact O-N 3.13Å
127A54.7Low60.9Low90 Ų9085 Ų8574%0.74458%0.583SS**  trans-65.878.616300000107.3G125 V129G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 3.48Å; A127-V129 PolarHBondContact O-N 2.97Å
128V53Low58.6Low40 Ų4086 Ų8624%0.24260%0.602CS.*  trans-6995.6164.6-176.20000104.7T91 Q115 L126 G130T91-V128 HydrophobicContact CG2-CG1 3.87Å; T91-V128 HydrophobicContact CG2-CG2 4.3Å; Q115-V128 HydrophobicContact CG-CB 4.2Å; Q115-V128 HydrophobicContact CG-CG1 4.09Å; Q115-V128 HydrophobicContact CG-CG2 4.06Å; L126-V128 HydrophobicContact CB-CG2 4.23Å; L126-V128 HydrophobicContact CD2-CG2 3.99Å; L126-V128 PolarHBondContact O-N 3.13Å; V128-G130 PolarHBondContact O-N 2.86Å
129V52.6Low56.4Low103 Ų10393.5 Ų93.562%0.62464%0.641SS**  trans-58.396.5165.7173.50000104.8R111 A127 G131R111-V129 PolarHBondContact NH2-O 3.33Å; A127-V129 PolarHBondContact O-N 2.97Å; V129-G131 PolarHBondContact O-N 3.46Å
130G48.3Very low54.3Low38 Ų3893.8 Ų93.839%0.39265%0.649SS.*  trans-56.3110.6160.600000105.5V128 A132V128-G130 PolarHBondContact O-N 2.86Å; G130-A132 PolarHBondContact O-N 3.33Å
131G45.4Very low52Low73 Ų7390.6 Ų90.675%0.75365%0.648SS**SBendtrans-66.140.7-176.400000114.4V129 V133V129-G131 PolarHBondContact O-N 3.46Å; G131-V133 VanDerWaalsContact C-N 3.3Å
132A43.2Very low50.2Low99 Ų9994.8 Ų94.882%0.81867%0.668SS**  trans-91.310.6164.100000112.1G130 L134G130-A132 PolarHBondContact O-N 3.33Å; A132-L134 PolarHBondContact O-N 3.06Å
133V45.4Very low48.1Very low108 Ų10895.4 Ų95.466%0.65568%0.675SS**SBendtrans-95.391.4173.7-173.50000109.9G131G131-V133 VanDerWaalsContact C-N 3.3Å
134L41.7Very low46.3Very low158 Ų15899.4 Ų99.483%0.82770%0.696SS**SBendtrans6190.2144.5-58.8169.4000118.2A132A132-L134 PolarHBondContact O-N 3.06Å
135G38.6Very low45.7Very low63 Ų6397.9 Ų97.965%0.64970%0.702SS**  trans104.3122.8144.500000115.5A137G135-A137 PolarHBondContact O-N 3.22Å
136A42.6Very low45.2Very low123 Ų123100.6 Ų100.6100%1.01770%0.704SS**THydrogen-bonded Turntrans-62.526.7168.700000114.5
137A46.3Very low44.7Very low96 Ų96101.7 Ų101.779%0.79373%0.727SS**THydrogen-bonded Turntrans-123.9-4.7-169.600000115G135G135-A137 PolarHBondContact O-N 3.22Å
138A43.8Very low44.3Very low76 Ų76105 Ų10563%0.62873%0.732SS**SBendtrans-103.2-10.6-171.500000116.3
139L45.9Very low44.1Very low162 Ų162108.8 Ų108.885%0.84876%0.76SS**SBendtrans-104.27.8-170.6-66.4179.5000116.5G141L139-G141 PolarHBondContact O-N 3.45Å
140L43.6Very low44.2Very low153 Ų153113.3 Ų113.380%0.80177%0.771SS**  trans-84.131.5164.3-64.1174.8000112.1I142L140-I142 VanDerWaalsContact C-N 3.31Å; L140-I142 PolarHBondContact O-N 3.25Å
141G39.9Very low44Very low67 Ų67123.1 Ų123.169%0.69180%0.796SS**  trans-859.2-172.300000115.6L139L139-G141 PolarHBondContact O-N 3.45Å
142I49.6Very low44.5Very low177 Ų177134.6 Ų134.691%0.90882%0.817SS**SBendtrans-113.178.6164.5-53.6-178.9000106.6L140L140-I142 VanDerWaalsContact C-N 3.31Å; L140-I142 PolarHBondContact O-N 3.25Å
143G37.6Very low44.6Very low65 Ų65136.4 Ų136.467%0.6782%0.817SS**SBendtrans89.484.5171.300000115.3
144L36.4Very low44.5Very low161 Ų161137.8 Ų137.884%0.84383%0.825SS**SBendtrans-174.8127.3132.6-91.9163000107.6
145G41.8Very low44.7Very low79 Ų79136.7 Ų136.781%0.81483%0.825SS**  trans-58.5135.9-159.600000116.9G147G145-G147 PolarHBondContact O-N 3.24Å
146V44.2Very low45Very low130 Ų130141.1 Ų141.179%0.78884%0.835SS**  trans-7193.2164.3176.30000108.8L148V146-L148 HydrophobicContact CG1-CD1 3.98Å; V146-L148 HydrophobicContact CG1-CG 3.8Å; V146-L148 PolarHBondContact O-N 2.89Å
147G44.9Very low45.2Very low74 Ų74142.2 Ų142.276%0.76382%0.824SS**  trans-80.682.9166.200000110.9G145 S149G145-G147 PolarHBondContact O-N 3.24Å; G147-S149 PolarHBondContact O-N 2.73Å; G147-S149 VanDerWaalsContact O-N 3.12Å
148L44.7Very low45.1Very low160 Ų160145.3 Ų145.384%0.83883%0.826SS**  trans-7592.7164.6-79.2162.7000108.9V146 K150V146-L148 HydrophobicContact CG1-CD1 3.98Å; V146-L148 HydrophobicContact CG1-CG 3.8Å; V146-L148 PolarHBondContact O-N 2.89Å; L148-K150 PolarHBondContact O-N 3.39Å
149S48.7Very low45.2Very low120 Ų120150.2 Ų150.284%0.83984%0.84SS**  trans-83.7107.2165.574.10000109.6G147G147-S149 PolarHBondContact O-N 2.73Å; G147-S149 VanDerWaalsContact O-N 3.12Å
150K55.8Low45.1Very low197 Ų197149.3 Ų149.386%0.85784%0.84SS**  trans-76.7119.5174.5-174.8170.8-176.9175.50108.4L148 R152L148-K150 PolarHBondContact O-N 3.39Å; K150-R152 PolarHBondContact O-N 3Å
151R43.8Very low45.3Very low244 Ų244149 Ų14992%0.92184%0.843SS**  trans-61.6123164-82.6-174.7178.9-178.8-0.1109.9
152R56.1Low45.8Very low314 Ų314156.5 Ų156.5100%1.18586%0.857SS**  trans-161.60141.7-111.2-172.6-163.71764.6109.7K150K150-R152 PolarHBondContact O-N 3Å

Retrieved 152 of 152 residues in 298.9 ms (Link to these results)

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