A0A5K4F9R0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9R0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 150 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
1M53.5Low58.3Low134 Ų13482.5 Ų82.566%0.6643%0.426SS*.  0132.50-89.3162.555.400108.5E5 T6M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.32Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 WeakPolarHBondContact CG-OE2 3.24Å; M1-T6 VanDerWaalsContact CE-CA 3.44Å; M1-T6 HydrophobicContact CE-CG2 4.49Å
2N50Low58.6Low49 Ų4975.8 Ų75.826%0.26239%0.391SS..  trans-73.9169.8172.569.826.4000110.5R4 E5 T6N2-R4 PolarHBondContact O-N 2.94Å; N2-R4 WeakPolarHBondContact OD1-CB 3.29Å; N2-R4 PolarHBondContact OD1-N 3.5Å; N2-R4 VanDerWaalsContact OD1-N 3.16Å; N2-E5 PolarHBondContact N-OE2 2.99Å; N2-E5 PolarHBondContact O-N 3.28Å; N2-E5 WeakPolarHBondContact OD1-CB 3.42Å; N2-E5 VanDerWaalsContact OD1-CG 3.31Å; N2-E5 WeakPolarHBondContact OD1-CG 3.48Å; N2-E5 PolarHBondContact OD1-N 3.02Å; N2-T6 PolarHBondContact O-N 2.78Å; N2-T6 PolarHBondContact O-OG1 2.95Å
3A63.4Low59.2Low85 Ų8579.5 Ų79.570%0.70240%0.398SS*.Hα-helixtrans-57.4-37.4-177.600000112.3T6 Q7A3-T6 PolarHBondContact O-N 3.15Å; A3-Q7 WeakPolarHBondContact O-CB 3.31Å; A3-Q7 PolarHBondContact O-N 2.8Å
4R56Low60Low147 Ų14781.1 Ų81.156%0.55541%0.407SS*.Hα-helixtrans-65.5-49.5178.4-179.8178.2169.5159.90.4112.1N2 T6 Q7 I8 E50N2-R4 PolarHBondContact O-N 2.94Å; N2-R4 WeakPolarHBondContact OD1-CB 3.29Å; N2-R4 PolarHBondContact OD1-N 3.5Å; N2-R4 VanDerWaalsContact OD1-N 3.16Å; R4-T6 VanDerWaalsContact C-N 3.27Å; R4-T6 PolarHBondContact O-N 3.41Å; R4-Q7 WeakPolarHBondContact O-CB 3.42Å; R4-Q7 PolarHBondContact O-N 3.03Å; R4-I8 HydrophobicContact CG-CD1 3.91Å; R4-I8 VanDerWaalsContact O-CG1 3.28Å; R4-I8 WeakPolarHBondContact O-CG1 3.25Å; R4-I8 PolarHBondContact O-N 2.87Å; R4-E50 IonicContact CZ-OE1 2.99Å; R4-E50 IonicContact NE-OE1 3.06Å; R4-E50 PolarHBondContact NE-OE1 3.31Å; R4-E50 IonicContact NE-OE2 3.46Å; R4-E50 PolarHBondContact NE-OE2 2.75Å; R4-E50 IonicContact NH1-OE1 3.87Å; R4-E50 IonicContact NH2-OE1 2.69Å; R4-E50 PolarHBondContact NH2-OE1 3.44Å
5E51.4Low60.5Low45 Ų4579.5 Ų79.521%0.2140%0.4CS..Hα-helixtrans-59.8-40.6176.1-71.6167.216700111.4M1 N2 I8 S9M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 4.32Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 WeakPolarHBondContact CG-OE2 3.24Å; N2-E5 PolarHBondContact N-OE2 2.99Å; N2-E5 PolarHBondContact O-N 3.28Å; N2-E5 WeakPolarHBondContact OD1-CB 3.42Å; N2-E5 VanDerWaalsContact OD1-CG 3.31Å; N2-E5 WeakPolarHBondContact OD1-CG 3.48Å; N2-E5 PolarHBondContact OD1-N 3.02Å; E5-I8 PolarHBondContact O-N 2.95Å; E5-S9 WeakPolarHBondContact O-CB 3.48Å; E5-S9 PolarHBondContact O-N 3.11Å
6T57.8Low60.8Low69 Ų6975.6 Ų75.642%0.42338%0.381SS..Hα-helixtrans-64.5-42.5176.9-51.90000111.1M1 N2 A3 R4 K10M1-T6 VanDerWaalsContact CE-CA 3.44Å; M1-T6 HydrophobicContact CE-CG2 4.49Å; N2-T6 PolarHBondContact O-N 2.78Å; N2-T6 PolarHBondContact O-OG1 2.95Å; A3-T6 PolarHBondContact O-N 3.15Å; R4-T6 VanDerWaalsContact C-N 3.27Å; R4-T6 PolarHBondContact O-N 3.41Å; T6-K10 VanDerWaalsContact O-CB 3.26Å; T6-K10 WeakPolarHBondContact O-CB 3.38Å; T6-K10 PolarHBondContact O-N 2.76Å
7Q63.2Low61.3Low141 Ų14180.1 Ų80.166%0.65940%0.397SS*.Hα-helixtrans-65.3-42175.7-173.31793.800112.1A3 R4 K10 S11A3-Q7 WeakPolarHBondContact O-CB 3.31Å; A3-Q7 PolarHBondContact O-N 2.8Å; R4-Q7 WeakPolarHBondContact O-CB 3.42Å; R4-Q7 PolarHBondContact O-N 3.03Å; Q7-K10 PolarHBondContact O-N 3.49Å; Q7-S11 VanDerWaalsContact O-CB 3.23Å; Q7-S11 WeakPolarHBondContact O-CB 3.38Å; Q7-S11 PolarHBondContact O-N 3.09Å
8I55.5Low61.8Low36 Ų3680.6 Ų80.619%0.18540%0.401CS..Hα-helixtrans-63-49.1176.5-69.9168.2000110.4R4 E5 K10 S11 C12 Y46 E50 L55R4-I8 HydrophobicContact CG-CD1 3.91Å; R4-I8 VanDerWaalsContact O-CG1 3.28Å; R4-I8 WeakPolarHBondContact O-CG1 3.25Å; R4-I8 PolarHBondContact O-N 2.87Å; E5-I8 PolarHBondContact O-N 2.95Å; I8-K10 PolarHBondContact O-N 2.99Å; I8-S11 PolarHBondContact O-N 3.45Å; I8-C12 VanDerWaalsContact O-CB 3.26Å; I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 3.47Å; I8-Y46 HydrophobicContact CG2-CD1 3.97Å; I8-Y46 HydrophobicContact CG2-CE1 3.89Å; I8-E50 WeakPolarHBondContact CD1-OE2 3.48Å; I8-L55 HydrophobicContact CG2-CD2 3.96Å
9S58.2Low62Low10 Ų1077.3 Ų77.37%0.0739%0.385CS..Hα-helixtrans-60.3-45177.3176.20000111.5E5 C12 R13E5-S9 WeakPolarHBondContact O-CB 3.48Å; E5-S9 PolarHBondContact O-N 3.11Å; S9-C12 WeakPolarHBondContact O-CB 2.77Å; S9-C12 PolarHBondContact O-N 2.76Å; S9-R13 WeakPolarHBondContact O-CG 2.9Å; S9-R13 PolarHBondContact O-N 3.36Å
10K66.3Low62.1Low143 Ų14376.3 Ų76.362%0.62238%0.38SS*.Hα-helixtrans-61.6-46175.9-172.1177.6-179.5-178.50111.6T6 Q7 I8 C12 R13 L14T6-K10 VanDerWaalsContact O-CB 3.26Å; T6-K10 WeakPolarHBondContact O-CB 3.38Å; T6-K10 PolarHBondContact O-N 2.76Å; Q7-K10 PolarHBondContact O-N 3.49Å; I8-K10 PolarHBondContact O-N 2.99Å; K10-C12 VanDerWaalsContact C-N 3.34Å; K10-C12 PolarHBondContact O-N 3.06Å; K10-R13 PolarHBondContact O-N 3.5Å; K10-L14 HydrophobicContact CG-CD1 4.16Å; K10-L14 WeakPolarHBondContact O-CB 3.17Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 2.91Å; K10-L14 PolarHBondContact O-N 3.1Å
11S66Low62.5Low49 Ų4979.7 Ų79.734%0.34339%0.39SS..Hα-helixtrans-60.1-44.4176175.20000111.4Q7 I8 L14 N15 Y46Q7-S11 VanDerWaalsContact O-CB 3.23Å; Q7-S11 WeakPolarHBondContact O-CB 3.38Å; Q7-S11 PolarHBondContact O-N 3.09Å; I8-S11 PolarHBondContact O-N 3.45Å; S11-L14 PolarHBondContact O-N 3.27Å; S11-N15 WeakPolarHBondContact O-CB 3.44Å; S11-N15 VanDerWaalsContact O-CG 3.26Å; S11-N15 PolarHBondContact O-N 3.29Å; S11-N15 PolarHBondContact O-ND2 3.42Å; S11-Y46 PolarHBondContact OG-OH 2.83Å
12C62Low63.1Low1 Ų176.8 Ų76.81%0.00738%0.377CS..Hα-helixtrans-61.7-47.4177.6-172.40000111.9I8 S9 K10 L14 N15 L16 Y46 L55 L59I8-C12 VanDerWaalsContact O-CB 3.26Å; I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 3.47Å; S9-C12 WeakPolarHBondContact O-CB 2.77Å; S9-C12 PolarHBondContact O-N 2.76Å; K10-C12 VanDerWaalsContact C-N 3.34Å; K10-C12 PolarHBondContact O-N 3.06Å; C12-L14 VanDerWaalsContact C-N 3.34Å; C12-L14 PolarHBondContact O-N 3.06Å; C12-N15 PolarHBondContact O-N 3.39Å; C12-L16 WeakPolarHBondContact O-CG 3.49Å; C12-L16 PolarHBondContact O-N 3.01Å; C12-Y46 WeakPolarHBondContact CA-OH 3.47Å; C12-Y46 HydrophobicContact CB-CD1 4.37Å; C12-Y46 HydrophobicContact CB-CD2 4.36Å; C12-Y46 HydrophobicContact CB-CE1 3.9Å; C12-Y46 HydrophobicContact CB-CE2 3.91Å; C12-Y46 PolarHBondContact N-OH 3.42Å; C12-L55 HydrophobicContact CB-CD1 4.2Å; C12-L59 WeakPolarHBondContact SG-CD2 3.24Å
13R66.4Low63.8Low125 Ų12574.6 Ų74.647%0.47237%0.365SS..Hα-helixtrans-62.5-40.4177.1-72.8176.4-179.4-178.80.4112.1S9 K10 K17 E58S9-R13 WeakPolarHBondContact O-CG 2.9Å; S9-R13 PolarHBondContact O-N 3.36Å; K10-R13 PolarHBondContact O-N 3.5Å; R13-K17 WeakPolarHBondContact O-CG 3.09Å; R13-K17 PolarHBondContact O-N 3.38Å; R13-E58 IonicContact CZ-OE1 3.94Å; R13-E58 IonicContact CZ-OE2 3.62Å; R13-E58 IonicContact NE-OE2 3.34Å; R13-E58 PolarHBondContact NE-OE2 3.31Å; R13-E58 VanDerWaalsContact NH2-CD 3.34Å; R13-E58 IonicContact NH2-OE1 2.83Å; R13-E58 PolarHBondContact NH2-OE1 3.33Å; R13-E58 IonicContact NH2-OE2 3Å; R13-E58 PolarHBondContact NH2-OE2 2.94Å
14L70.8Confident64Low102 Ų10273.2 Ų73.253%0.53435%0.346SS..Hα-helixtrans-65.2-44.6175.7-73.4170.1000111.6K10 S11 C12 L16 K17 L18K10-L14 HydrophobicContact CG-CD1 4.16Å; K10-L14 WeakPolarHBondContact O-CB 3.17Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 2.91Å; K10-L14 PolarHBondContact O-N 3.1Å; S11-L14 PolarHBondContact O-N 3.27Å; C12-L14 VanDerWaalsContact C-N 3.34Å; C12-L14 PolarHBondContact O-N 3.06Å; L14-L16 PolarHBondContact O-N 3.39Å; L14-K17 PolarHBondContact O-N 3.17Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.03Å
15N66.9Low64.6Low56 Ų5670.8 Ų70.830%0.29934%0.343SS..Hα-helixtrans-63.7-41.2177.1-74.5-27.3000111.7S11 C12 L18 I19 Y46S11-N15 WeakPolarHBondContact O-CB 3.44Å; S11-N15 VanDerWaalsContact O-CG 3.26Å; S11-N15 PolarHBondContact O-N 3.29Å; S11-N15 PolarHBondContact O-ND2 3.42Å; C12-N15 PolarHBondContact O-N 3.39Å; N15-L18 PolarHBondContact O-N 3Å; N15-I19 WeakPolarHBondContact O-CB 3.42Å; N15-I19 WeakPolarHBondContact O-CD1 3.15Å; N15-I19 WeakPolarHBondContact O-CG1 3.47Å; N15-I19 PolarHBondContact O-N 3.49Å; N15-Y46 PolarHBondContact ND2-OH 2.89Å
16L65.3Low65.4Low17 Ų1771.4 Ų71.49%0.08935%0.348CS..Hα-helixtrans-61.4-45.7173.7-79.4174.9000112C12 L14 L18 I19 I20 L59 A62C12-L16 WeakPolarHBondContact O-CG 3.49Å; C12-L16 PolarHBondContact O-N 3.01Å; L14-L16 PolarHBondContact O-N 3.39Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.32Å; L16-I19 PolarHBondContact O-N 2.93Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.35Å; L16-L59 HydrophobicContact CD1-CD2 3.74Å; L16-L59 HydrophobicContact CD2-CD2 4.36Å; L16-L59 HydrophobicContact CG-CD2 4.23Å; L16-A62 HydrophobicContact CD1-CB 3.61Å; L16-A62 HydrophobicContact CD2-CB 4.3Å
17K69.4Low65.7Low152 Ų15274.1 Ų74.166%0.66135%0.354SS*.Hα-helixtrans-59.7-41.8175-76.7-176.5176.9-1700111.9R13 L14 I20 Y21R13-K17 WeakPolarHBondContact O-CG 3.09Å; R13-K17 PolarHBondContact O-N 3.38Å; L14-K17 PolarHBondContact O-N 3.17Å; K17-I20 PolarHBondContact O-N 3.19Å; K17-Y21 WeakPolarHBondContact O-CB 3.36Å; K17-Y21 PolarHBondContact O-N 2.81Å
18L71Confident65.8Low90 Ų9069.5 Ų69.547%0.47133%0.334SS..Hα-helixtrans-64.2-43.4176.4-179.464.2000111.2L14 N15 L16 Y21 L22L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.03Å; N15-L18 PolarHBondContact O-N 3Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.32Å; L18-Y21 PolarHBondContact O-N 3.4Å; L18-L22 HydrophobicContact CD1-CD1 4.22Å; L18-L22 HydrophobicContact CD1-CG 4.18Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 3.4Å
19I64.4Low66.3Low18 Ų1875.9 Ų75.99%0.09237%0.369CS..Hα-helixtrans-62.4-46.1176.9-68.4161.1000110.3N15 L16 Y21 L22 E23 K38 C42N15-I19 WeakPolarHBondContact O-CB 3.42Å; N15-I19 WeakPolarHBondContact O-CD1 3.15Å; N15-I19 WeakPolarHBondContact O-CG1 3.47Å; N15-I19 PolarHBondContact O-N 3.49Å; L16-I19 PolarHBondContact O-N 2.93Å; I19-Y21 VanDerWaalsContact C-N 3.32Å; I19-Y21 PolarHBondContact O-N 3.21Å; I19-L22 PolarHBondContact O-N 2.85Å; I19-E23 HydrophobicContact CG2-CG 4.3Å; I19-E23 WeakPolarHBondContact O-CB 3.13Å; I19-E23 WeakPolarHBondContact O-CG 3.45Å; I19-E23 PolarHBondContact O-N 3.28Å; I19-K38 HydrophobicContact CG1-CB 4.41Å; I19-K38 HydrophobicContact CG2-CB 4.24Å; I19-C42 HydrophobicContact CD1-CB 3.77Å
20I64.9Low66.4Low56 Ų5683 Ų8329%0.28740%0.4SS..Hα-helixtrans-58.1-46.8176-67.5163.6000110.5L16 K17 E23 D24 I66L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.35Å; K17-I20 PolarHBondContact O-N 3.19Å; I20-E23 PolarHBondContact O-N 3.3Å; I20-D24 WeakPolarHBondContact O-CB 3.38Å; I20-D24 PolarHBondContact O-N 3.16Å; I20-I66 HydrophobicContact CD1-CD1 4.28Å; I20-I66 HydrophobicContact CD1-CG1 4.37Å; I20-I66 HydrophobicContact CG1-CD1 3.76Å; I20-I66 HydrophobicContact CG1-CG1 3.95Å
21Y69.8Low66.1Low148 Ų14878.1 Ų78.158%0.5839%0.39SS*.Hα-helixtrans-61.6-44.5176.9174.8-95.4000112K17 L18 I19 D24 N25K17-Y21 WeakPolarHBondContact O-CB 3.36Å; K17-Y21 PolarHBondContact O-N 2.81Å; L18-Y21 PolarHBondContact O-N 3.4Å; I19-Y21 VanDerWaalsContact C-N 3.32Å; I19-Y21 PolarHBondContact O-N 3.21Å; Y21-D24 PolarHBondContact O-N 3.45Å; Y21-N25 WeakPolarHBondContact CD2-ND2 3.44Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; Y21-N25 PolarHBondContact O-N 2.91Å; Y21-N25 VanDerWaalsContact O-N 3.16Å; Y21-N25 PolarHBondContact O-ND2 2.8Å
22L66.8Low65.7Low74 Ų7480.2 Ų80.239%0.38740%0.398SS..Hα-helixtrans-66.2-41.2178.9-71.9173.3000111.3L18 I19 N25 N26L18-L22 HydrophobicContact CD1-CD1 4.22Å; L18-L22 HydrophobicContact CD1-CG 4.18Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 3.4Å; I19-L22 PolarHBondContact O-N 2.85Å; L22-N25 PolarHBondContact O-N 3.38Å; L22-N26 WeakPolarHBondContact O-CB 3.35Å; L22-N26 PolarHBondContact O-N 3.24Å
23E64.8Low65.5Low3 Ų382.8 Ų82.81%0.01441%0.411CS..Hα-helixtrans-67.2-39.2176.7-71.1-168.1165.500111.8I19 I20 N25 N26 I33 Y39 Y70I19-E23 HydrophobicContact CG2-CG 4.3Å; I19-E23 WeakPolarHBondContact O-CB 3.13Å; I19-E23 WeakPolarHBondContact O-CG 3.45Å; I19-E23 PolarHBondContact O-N 3.28Å; I20-E23 PolarHBondContact O-N 3.3Å; E23-N25 PolarHBondContact O-N 3.19Å; E23-N26 PolarHBondContact O-N 2.97Å; E23-I33 HydrophobicContact CB-CG2 4.49Å; E23-I33 WeakPolarHBondContact O-CG2 3.32Å; E23-Y39 WeakPolarHBondContact OE1-CD1 3.32Å; E23-Y70 HydrophobicContact CB-CE2 4.49Å
24D67.4Low64.9Low56 Ų5682.1 Ų82.130%0.29941%0.413SS..Hα-helixtrans-61.9-30.2174.3-82.5-29.2000113.2I20 Y21 K69 Y70I20-D24 WeakPolarHBondContact O-CB 3.38Å; I20-D24 PolarHBondContact O-N 3.16Å; Y21-D24 PolarHBondContact O-N 3.45Å; D24-K69 IonicContact OD1-NZ 3.82Å; D24-K69 PolarHBondContact OD1-NZ 3.47Å; D24-K69 IonicContact OD2-NZ 2.71Å; D24-K69 PolarHBondContact OD2-NZ 2.81Å; D24-Y70 VanDerWaalsContact CG-OH 3.26Å; D24-Y70 PolarHBondContact OD1-OH 3.29Å
25N69.5Low64.3Low95 Ų9579.1 Ų79.151%0.50840%0.403SS..Hα-helixtrans-98.1-14.4-178.6-68.8-61000114.1Y21 L22 E23 K27Y21-N25 WeakPolarHBondContact CD2-ND2 3.44Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; Y21-N25 PolarHBondContact O-N 2.91Å; Y21-N25 VanDerWaalsContact O-N 3.16Å; Y21-N25 PolarHBondContact O-ND2 2.8Å; L22-N25 PolarHBondContact O-N 3.38Å; E23-N25 PolarHBondContact O-N 3.19Å; N25-K27 PolarHBondContact O-N 3.43Å
26N66.3Low64.1Low58 Ų5878.9 Ų78.931%0.3140%0.404SS..  trans-8464.3-179.8-163.239.8000110.3L22 E23 I33 Q34L22-N26 WeakPolarHBondContact O-CB 3.35Å; L22-N26 PolarHBondContact O-N 3.24Å; E23-N26 PolarHBondContact O-N 2.97Å; N26-I33 CarbonylContact O-C 3.46Å; N26-I33 WeakPolarHBondContact O-CA 3.48Å; N26-Q34 WeakPolarHBondContact ND2-CB 3.46Å; N26-Q34 PolarHBondContact ND2-O 2.98Å; N26-Q34 PolarHBondContact O-N 2.49Å
27K64.2Low64.1Low127 Ų12779.6 Ų79.655%0.55241%0.408SS*.BIsolated β-bridgetrans-85.3135.9172.6-65.4-179.1-179.1-177.30109.3N25 N32 I33N25-K27 PolarHBondContact O-N 3.43Å; K27-N32 CarbonylContact C-O 3.53Å; K27-N32 VanDerWaalsContact CA-O 3.25Å; K27-N32 WeakPolarHBondContact CA-O 3.27Å; K27-I33 HydrophobicContact CG-CG1 4.22Å
28D65.1Low64Low43 Ų4376.8 Ų76.823%0.2340%0.395CS..  trans-67.1175.416565.415.1000110.7H30 G31 N32 Q34D28-H30 PolarHBondContact O-N 2.84Å; D28-H30 VanDerWaalsContact OD1-C 3.3Å; D28-H30 VanDerWaalsContact OD1-CA 3.29Å; D28-H30 WeakPolarHBondContact OD1-CA 2.95Å; D28-H30 VanDerWaalsContact OD1-CB 3.31Å; D28-H30 WeakPolarHBondContact OD1-CB 3.25Å; D28-H30 PolarHBondContact OD1-N 3.3Å; D28-G31 PolarHBondContact O-N 3.24Å; D28-G31 PolarHBondContact OD1-N 2.91Å; D28-G31 VanDerWaalsContact OD1-N 3.09Å; D28-N32 PolarHBondContact N-O 2.65Å; D28-N32 WeakPolarHBondContact OD1-CA 3.44Å; D28-N32 WeakPolarHBondContact OD1-CB 3.45Å; D28-N32 PolarHBondContact OD1-N 3.22Å; D28-N32 PolarHBondContact OD1-ND2 2.78Å; D28-N32 WeakPolarHBondContact OD2-CB 3.34Å; D28-N32 PolarHBondContact OD2-ND2 3.49Å; D28-Q34 HydrophobicContact CB-CG 4.16Å
29D67.4Low63.5Low171 Ų17172.5 Ų72.591%0.91437%0.373SS*.THydrogen-bonded Turntrans-60.9-9.4178.5-61.2-34.2000113.3
30H60.8Low63.4Low159 Ų15971.9 Ų71.974%0.73637%0.37SS*.THydrogen-bonded Turntrans-101.33.9175.8-55.6-59.7000113D28 N32D28-H30 PolarHBondContact O-N 2.84Å; D28-H30 VanDerWaalsContact OD1-C 3.3Å; D28-H30 VanDerWaalsContact OD1-CA 3.29Å; D28-H30 WeakPolarHBondContact OD1-CA 2.95Å; D28-H30 VanDerWaalsContact OD1-CB 3.31Å; D28-H30 WeakPolarHBondContact OD1-CB 3.25Å; D28-H30 PolarHBondContact OD1-N 3.3Å; H30-N32 VanDerWaalsContact C-N 3.28Å; H30-N32 WeakPolarHBondContact CB-ND2 3.44Å; H30-N32 PolarHBondContact O-N 2.82Å
31G59.3Low63.5Low40 Ų4075.6 Ų75.641%0.41239%0.386SS..SBendtrans80.34.3-178.600000114.4D28D28-G31 PolarHBondContact O-N 3.24Å; D28-G31 PolarHBondContact OD1-N 2.91Å; D28-G31 VanDerWaalsContact OD1-N 3.09Å
32N57.6Low63.2Low94 Ų9469 Ų6950%0.50336%0.362SS..  trans-85.8136.9179.2-52.3-58.6000110.4K27 D28 H30 Q34K27-N32 CarbonylContact C-O 3.53Å; K27-N32 VanDerWaalsContact CA-O 3.25Å; K27-N32 WeakPolarHBondContact CA-O 3.27Å; D28-N32 PolarHBondContact N-O 2.65Å; D28-N32 WeakPolarHBondContact OD1-CA 3.44Å; D28-N32 WeakPolarHBondContact OD1-CB 3.45Å; D28-N32 PolarHBondContact OD1-N 3.22Å; D28-N32 PolarHBondContact OD1-ND2 2.78Å; D28-N32 WeakPolarHBondContact OD2-CB 3.34Å; D28-N32 PolarHBondContact OD2-ND2 3.49Å; H30-N32 VanDerWaalsContact C-N 3.28Å; H30-N32 WeakPolarHBondContact CB-ND2 3.44Å; H30-N32 PolarHBondContact O-N 2.82Å; N32-Q34 PolarHBondContact O-N 3.38Å; N32-Q34 VanDerWaalsContact O-N 3.15Å
33I56.6Low62.8Low54 Ų5465.6 Ų65.628%0.27734%0.344SS..BIsolated β-bridgetrans-69114.7179-67.5170.6000109.6E23 N26 K27 A35 Y70E23-I33 HydrophobicContact CB-CG2 4.49Å; E23-I33 WeakPolarHBondContact O-CG2 3.32Å; N26-I33 CarbonylContact O-C 3.46Å; N26-I33 WeakPolarHBondContact O-CA 3.48Å; K27-I33 HydrophobicContact CG-CG1 4.22Å; I33-A35 PolarHBondContact O-N 2.99Å; I33-Y70 HydrophobicContact CD1-CD1 3.68Å; I33-Y70 HydrophobicContact CD1-CE1 3.21Å
34Q55.7Low62.6Low111 Ų11167.6 Ų67.652%0.51936%0.356SS..  trans-71.396.1168.1-87-172.93.100108.8N26 D28 N32 T36N26-Q34 WeakPolarHBondContact ND2-CB 3.46Å; N26-Q34 PolarHBondContact ND2-O 2.98Å; N26-Q34 PolarHBondContact O-N 2.49Å; D28-Q34 HydrophobicContact CB-CG 4.16Å; N32-Q34 PolarHBondContact O-N 3.38Å; N32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-T36 PolarHBondContact O-N 3.34Å
35A57.1Low62.4Low39 Ų3971.4 Ų71.432%0.32237%0.37SS..  trans-77.9110.9-175.200000110.7I33 I72 Y74I33-A35 PolarHBondContact O-N 2.99Å; A35-I72 HydrophobicContact CB-CD1 4.3Å; A35-Y74 WeakPolarHBondContact CB-OH 3.31Å; A35-Y74 PolarHBondContact O-OH 3.31Å
36T63.7Low61.8Low51 Ų5167.8 Ų67.831%0.31335%0.35SS..  trans-92.7-1.7-16756.30000114.3Q34 K38Q34-T36 PolarHBondContact O-N 3.34Å; T36-K38 PolarHBondContact O-N 3.23Å; T36-K38 VanDerWaalsContact OG1-CD 3.28Å; T36-K38 WeakPolarHBondContact OG1-CD 3.44Å; T36-K38 VanDerWaalsContact OG1-CG 3.24Å; T36-K38 WeakPolarHBondContact OG1-CG 3.18Å
37N64.7Low61.1Low32 Ų3267.6 Ų67.617%0.17135%0.346CS..  trans58.615-177.5-155.527.9000113.9Y39 V40 E41 Y74N37-Y39 PolarHBondContact O-N 2.75Å; N37-V40 WeakPolarHBondContact O-CB 3.2Å; N37-V40 PolarHBondContact O-N 3.21Å; N37-V40 VanDerWaalsContact OD1-CB 3.31Å; N37-V40 WeakPolarHBondContact OD1-CB 3.49Å; N37-V40 WeakPolarHBondContact OD1-CG2 3.38Å; N37-E41 PolarHBondContact O-N 3.42Å; N37-Y74 HydrophobicContact CB-CE1 4.33Å
38K66.1Low60.5Low93 Ų9368.4 Ų68.440%0.40435%0.351SS..Hα-helixtrans-60.5-28.1-178.8-78176.7-174.9175.10112.4I19 T36 V40 E41 C42I19-K38 HydrophobicContact CG1-CB 4.41Å; I19-K38 HydrophobicContact CG2-CB 4.24Å; T36-K38 PolarHBondContact O-N 3.23Å; T36-K38 VanDerWaalsContact OG1-CD 3.28Å; T36-K38 WeakPolarHBondContact OG1-CD 3.44Å; T36-K38 VanDerWaalsContact OG1-CG 3.24Å; T36-K38 WeakPolarHBondContact OG1-CG 3.18Å; K38-V40 VanDerWaalsContact C-N 3.32Å; K38-V40 PolarHBondContact O-N 3.35Å; K38-E41 PolarHBondContact O-N 3.23Å; K38-C42 PolarHBondContact O-N 3.34Å
39Y61.8Low59.7Low0 Ų070.4 Ų70.40%036%0.362CS..Hα-helixtrans-67.5-30.7174.166.5-97.1000112.5E23 N37 C42 L43 V63 I66 E67 Y74E23-Y39 WeakPolarHBondContact OE1-CD1 3.32Å; N37-Y39 PolarHBondContact O-N 2.75Å; Y39-C42 WeakPolarHBondContact O-CB 3.22Å; Y39-C42 PolarHBondContact O-N 3.28Å; Y39-L43 PolarHBondContact O-N 3.39Å; Y39-V63 HydrophobicContact CD2-CB 4.16Å; Y39-V63 HydrophobicContact CD2-CG1 3.65Å; Y39-V63 HydrophobicContact CD2-CG2 3.58Å; Y39-V63 HydrophobicContact CE2-CB 4.42Å; Y39-V63 HydrophobicContact CE2-CG1 3.46Å; Y39-V63 VanDerWaalsContact CE2-CG1 3.46Å; Y39-V63 HydrophobicContact CE2-CG2 4.3Å; Y39-V63 HydrophobicContact CG-CG2 4.41Å; Y39-I66 HydrophobicContact CD1-CG2 4.04Å; Y39-I66 HydrophobicContact CE1-CG2 4.04Å; Y39-I66 HydrophobicContact CG-CD1 4.44Å; Y39-E67 HydrophobicContact CE2-CG 4.45Å; Y39-E67 WeakPolarHBondContact OH-CG 3.37Å; Y39-E67 PolarHBondContact OH-OE1 3.28Å; Y39-Y74 HydrophobicContact CE1-CE2 4.25Å; Y39-Y74 AromaticContact CZ-CD2 3.94Å; Y39-Y74 WeakPolarHBondContact OH-CD2 3.44Å; Y39-Y74 WeakPolarHBondContact OH-CE2 3.45Å
40V62.2Low58.9Low6 Ų664.8 Ų64.84%0.03633%0.331CS..Hα-helixtrans-71.9-37.6173.9174.60000110.9N37 K38 C42 L43 V44 K76N37-V40 WeakPolarHBondContact O-CB 3.2Å; N37-V40 PolarHBondContact O-N 3.21Å; N37-V40 VanDerWaalsContact OD1-CB 3.31Å; N37-V40 WeakPolarHBondContact OD1-CB 3.49Å; N37-V40 WeakPolarHBondContact OD1-CG2 3.38Å; K38-V40 VanDerWaalsContact C-N 3.32Å; K38-V40 PolarHBondContact O-N 3.35Å; V40-C42 VanDerWaalsContact C-N 3.26Å; V40-C42 PolarHBondContact O-N 3.16Å; V40-L43 WeakPolarHBondContact O-CB 3.26Å; V40-L43 PolarHBondContact O-N 2.95Å; V40-L43 VanDerWaalsContact O-N 3.17Å; V40-V44 WeakPolarHBondContact O-CG2 3.38Å; V40-V44 PolarHBondContact O-N 3.42Å; V40-K76 HydrophobicContact CG1-CB 4.41Å
41E66.4Low58.5Low133 Ų13365.6 Ų65.662%0.62133%0.328SS*.Hα-helixtrans-62-38.4172.7-62.9-178.5167.200111.5N37 K38 V44 K45N37-E41 PolarHBondContact O-N 3.42Å; K38-E41 PolarHBondContact O-N 3.23Å; E41-V44 PolarHBondContact O-N 3.17Å; E41-K45 PolarHBondContact O-N 2.54Å
42C64.3Low58.5Low11 Ų1165.2 Ų65.27%0.07432%0.317CS..Hα-helixtrans-59.1-47.6172-168.30000111.2I19 K38 Y39 V40 V44 K45 Y46I19-C42 HydrophobicContact CD1-CB 3.77Å; K38-C42 PolarHBondContact O-N 3.34Å; Y39-C42 WeakPolarHBondContact O-CB 3.22Å; Y39-C42 PolarHBondContact O-N 3.28Å; V40-C42 VanDerWaalsContact C-N 3.26Å; V40-C42 PolarHBondContact O-N 3.16Å; C42-V44 VanDerWaalsContact C-N 3.35Å; C42-V44 PolarHBondContact O-N 3.21Å; C42-K45 PolarHBondContact O-N 2.71Å; C42-Y46 VanDerWaalsContact O-CD2 3.22Å; C42-Y46 WeakPolarHBondContact O-CD2 3.41Å; C42-Y46 PolarHBondContact O-N 3.37Å; C42-Y46 VanDerWaalsContact SG-CE2 3.57Å
43L57.9Low58.6Low1 Ų163.4 Ų63.41%0.00531%0.305CS..Hα-helixtrans-55.3-47.2175.1-71.4-178000112.5Y39 V40 K45 Y46 K47 L59 V63 F84Y39-L43 PolarHBondContact O-N 3.39Å; V40-L43 WeakPolarHBondContact O-CB 3.26Å; V40-L43 PolarHBondContact O-N 2.95Å; V40-L43 VanDerWaalsContact O-N 3.17Å; L43-K45 PolarHBondContact O-N 2.8Å; L43-Y46 PolarHBondContact O-N 3.43Å; L43-K47 PolarHBondContact O-N 3.5Å; L43-K47 VanDerWaalsContact O-N 3.16Å; L43-L59 HydrophobicContact CD2-CB 3.58Å; L43-L59 HydrophobicContact CD2-CD1 4.38Å; L43-L59 HydrophobicContact CD2-CD2 4.16Å; L43-L59 HydrophobicContact CD2-CG 4.26Å; L43-V63 HydrophobicContact CD1-CB 4.27Å; L43-V63 HydrophobicContact CD1-CG1 4.27Å; L43-V63 HydrophobicContact CD1-CG2 3.67Å; L43-V63 HydrophobicContact CD2-CG2 3.86Å; L43-V63 HydrophobicContact CG-CG2 3.76Å; L43-F84 HydrophobicContact CB-CE2 4.16Å; L43-F84 HydrophobicContact CD1-CE2 4.42Å; L43-F84 HydrophobicContact CD2-CE2 4.4Å
44V61.2Low58.9Low45 Ų4566.2 Ų66.227%0.27332%0.317SS..Hα-helixtrans-63.4-43.7-178.8174.30000110.9V40 E41 C42 Y46 K47 H48 W80V40-V44 WeakPolarHBondContact O-CG2 3.38Å; V40-V44 PolarHBondContact O-N 3.42Å; E41-V44 PolarHBondContact O-N 3.17Å; C42-V44 VanDerWaalsContact C-N 3.35Å; C42-V44 PolarHBondContact O-N 3.21Å; V44-Y46 VanDerWaalsContact C-N 3.33Å; V44-Y46 PolarHBondContact O-N 3.03Å; V44-K47 WeakPolarHBondContact O-CB 3.44Å; V44-K47 PolarHBondContact O-N 2.88Å; V44-H48 PolarHBondContact O-CD2 3.42Å; V44-W80 HydrophobicContact CG2-CD2 4.35Å; V44-W80 HydrophobicContact CG2-CZ2 3.81Å
45K63.1Low59.1Low137 Ų13761.5 Ų61.560%0.59630%0.295SS*.Hα-helixtrans-60.8-40.2-179.4-173.5176.1-178.9175.80112.7E41 C42 L43E41-K45 PolarHBondContact O-N 2.54Å; C42-K45 PolarHBondContact O-N 2.71Å; L43-K45 PolarHBondContact O-N 2.8Å
46Y56.1Low59.3Low18 Ų1860.6 Ų60.67%0.07129%0.285CS..Hα-helixtrans-82.8-17.3-178.4-72.2-74.1000113.8I8 S11 C12 N15 C42 L43 V44 H48 N49 L59I8-Y46 HydrophobicContact CG2-CD1 3.97Å; I8-Y46 HydrophobicContact CG2-CE1 3.89Å; S11-Y46 PolarHBondContact OG-OH 2.83Å; C12-Y46 WeakPolarHBondContact CA-OH 3.47Å; C12-Y46 HydrophobicContact CB-CD1 4.37Å; C12-Y46 HydrophobicContact CB-CD2 4.36Å; C12-Y46 HydrophobicContact CB-CE1 3.9Å; C12-Y46 HydrophobicContact CB-CE2 3.91Å; C12-Y46 PolarHBondContact N-OH 3.42Å; N15-Y46 PolarHBondContact ND2-OH 2.89Å; C42-Y46 VanDerWaalsContact O-CD2 3.22Å; C42-Y46 WeakPolarHBondContact O-CD2 3.41Å; C42-Y46 PolarHBondContact O-N 3.37Å; C42-Y46 VanDerWaalsContact SG-CE2 3.57Å; L43-Y46 PolarHBondContact O-N 3.43Å; V44-Y46 VanDerWaalsContact C-N 3.33Å; V44-Y46 PolarHBondContact O-N 3.03Å; Y46-H48 VanDerWaalsContact C-N 3.26Å; Y46-H48 PolarHBondContact O-N 3.28Å; Y46-N49 PolarHBondContact O-N 3.24Å; Y46-L59 HydrophobicContact CG-CD1 4.35Å
47K52.2Low59.5Low54 Ų5460.7 Ų60.724%0.23528%0.283CS..Hα-helixtrans-56.3-40.9171.7-177.1170.3-177.5169.30112.3L43 V44 W80 C83 F84 E87L43-K47 PolarHBondContact O-N 3.5Å; L43-K47 VanDerWaalsContact O-N 3.16Å; V44-K47 WeakPolarHBondContact O-CB 3.44Å; V44-K47 PolarHBondContact O-N 2.88Å; K47-W80 HydrophobicContact CD-CE3 4.26Å; K47-W80 HydrophobicContact CD-CH2 4.46Å; K47-W80 HydrophobicContact CD-CZ3 3.63Å; K47-C83 PolarHBondContact NZ-SG 3.3Å; K47-F84 HydrophobicContact CB-CE1 3.87Å; K47-F84 HydrophobicContact CB-CZ 3.94Å; K47-F84 HydrophobicContact CD-CE1 3.92Å; K47-F84 HydrophobicContact CD-CZ 4.22Å; K47-F84 HydrophobicContact CG-CE1 3.82Å; K47-F84 HydrophobicContact CG-CZ 4.28Å; K47-E87 WeakPolarHBondContact CE-OE1 3.37Å; K47-E87 IonicContact NZ-OE1 2.8Å; K47-E87 PolarHBondContact NZ-OE1 3.12Å; K47-E87 IonicContact NZ-OE2 2.75Å
48H50.3Low59.5Low144 Ų14461.9 Ų61.967%0.66729%0.288SS*.THydrogen-bonded Turntrans-83.7-13.2-170.7-69.7-71000114.6V44 Y46V44-H48 PolarHBondContact O-CD2 3.42Å; Y46-H48 VanDerWaalsContact C-N 3.26Å; Y46-H48 PolarHBondContact O-N 3.28Å
49N50.1Low59.4Low85 Ų8557.6 Ų57.646%0.45527%0.269SS..THydrogen-bonded Turntrans-96.2-22.4-162.6-89.9-16.9000116.5Y46Y46-N49 PolarHBondContact O-N 3.24Å
50E49.9Very low59.7Low54 Ų5458.1 Ų58.125%0.25227%0.272SS..  trans174.2137169.6-97.9136.5-145.200109.4R4 I8 N52R4-E50 IonicContact CZ-OE1 2.99Å; R4-E50 IonicContact NE-OE1 3.06Å; R4-E50 PolarHBondContact NE-OE1 3.31Å; R4-E50 IonicContact NE-OE2 3.46Å; R4-E50 PolarHBondContact NE-OE2 2.75Å; R4-E50 IonicContact NH1-OE1 3.87Å; R4-E50 IonicContact NH2-OE1 2.69Å; R4-E50 PolarHBondContact NH2-OE1 3.44Å; I8-E50 WeakPolarHBondContact CD1-OE2 3.48Å; E50-N52 PolarHBondContact O-N 2.92Å
51Y52.7Low60.2Low175 Ų17564.6 Ų64.669%0.68630%0.3SS*.  trans-6661.3-179.1-78.8-88.6000113.6H53Y51-H53 PolarHBondContact O-N 3.36Å
52N59.8Low60.1Low33 Ų3359.2 Ų59.218%0.17628%0.278CS..  trans-88.688.5166.8-168.8-27.4000108.7E50 H54 L55 I56E50-N52 PolarHBondContact O-N 2.92Å; N52-H54 PolarHBondContact O-N 3.06Å; N52-H54 VanDerWaalsContact O-N 3.11Å; N52-H54 WeakPolarHBondContact OD1-CB 3.37Å; N52-H54 PolarHBondContact OD1-N 3.25Å; N52-H54 VanDerWaalsContact OD1-N 3.12Å; N52-L55 HydrophobicContact CB-CB 3.81Å; N52-L55 WeakPolarHBondContact O-CA 3.24Å; N52-L55 WeakPolarHBondContact O-CB 3.49Å; N52-L55 PolarHBondContact O-N 2.88Å; N52-L55 PolarHBondContact OD1-N 3.47Å; N52-L55 VanDerWaalsContact OD1-N 3.13Å; N52-I56 PolarHBondContact O-N 3.38Å
53H59.7Low60.2Low55 Ų5558.7 Ų58.726%0.25528%0.275SS..Hα-helixtrans-47.3-38.3175.6174.297.5000112.7Y51 I56 L57 S88 Y91Y51-H53 PolarHBondContact O-N 3.36Å; H53-I56 PolarHBondContact O-N 3.28Å; H53-L57 WeakPolarHBondContact NE2-CD1 3.38Å; H53-L57 WeakPolarHBondContact O-CG 3.37Å; H53-L57 PolarHBondContact O-N 2.9Å; H53-L57 VanDerWaalsContact O-N 3.1Å; H53-S88 VanDerWaalsContact CE1-CB 3.46Å; H53-S88 WeakPolarHBondContact CE1-CB 3.49Å; H53-S88 PolarHBondContact CE1-O 3Å; H53-S88 PolarHBondContact CE1-OG 3.17Å; H53-S88 PolarHBondContact ND1-OG 3.31Å; H53-Y91 HydrophobicContact CB-CD1 4.2Å; H53-Y91 HydrophobicContact CB-CE1 4.34Å; H53-Y91 AromaticContact ND1-CD1 3.99Å
54H62.8Low60.9Low113 Ų11361.2 Ų61.252%0.52329%0.288SS..Hα-helixtrans-67.7-43.2178.4-166.258.8000111.8N52 I56 L57 E58N52-H54 PolarHBondContact O-N 3.06Å; N52-H54 VanDerWaalsContact O-N 3.11Å; N52-H54 WeakPolarHBondContact OD1-CB 3.37Å; N52-H54 PolarHBondContact OD1-N 3.25Å; N52-H54 VanDerWaalsContact OD1-N 3.12Å; H54-I56 VanDerWaalsContact C-N 3.34Å; H54-I56 PolarHBondContact O-N 2.9Å; H54-L57 PolarHBondContact O-N 2.88Å; H54-E58 IonicContact NE2-OE1 3.74Å; H54-E58 WeakPolarHBondContact O-CG 3.4Å; H54-E58 PolarHBondContact O-N 2.86Å
55L58.4Low61.5Low13 Ų1363.8 Ų63.87%0.06830%0.301CS..Hα-helixtrans-62-41.3175.8-176.664.8000111.8I8 C12 N52 E58 L59I8-L55 HydrophobicContact CG2-CD2 3.96Å; C12-L55 HydrophobicContact CB-CD1 4.2Å; N52-L55 HydrophobicContact CB-CB 3.81Å; N52-L55 WeakPolarHBondContact O-CA 3.24Å; N52-L55 WeakPolarHBondContact O-CB 3.49Å; N52-L55 PolarHBondContact O-N 2.88Å; N52-L55 PolarHBondContact OD1-N 3.47Å; N52-L55 VanDerWaalsContact OD1-N 3.13Å; L55-E58 PolarHBondContact O-N 2.9Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 3.46Å
56I62.4Low61.6Low20 Ų2057.6 Ų57.610%0.10327%0.274CS..Hα-helixtrans-62.6-43.1177.6-68.1171.4000110.9N52 H53 H54 L59 V60 F84N52-I56 PolarHBondContact O-N 3.38Å; H53-I56 PolarHBondContact O-N 3.28Å; H54-I56 VanDerWaalsContact C-N 3.34Å; H54-I56 PolarHBondContact O-N 2.9Å; I56-L59 WeakPolarHBondContact O-CB 3Å; I56-L59 PolarHBondContact O-N 3.21Å; I56-V60 WeakPolarHBondContact O-CG2 3.32Å; I56-V60 PolarHBondContact O-N 3.33Å; I56-F84 HydrophobicContact CB-CD1 4.48Å; I56-F84 HydrophobicContact CD1-CD1 4.39Å; I56-F84 HydrophobicContact CD1-CE1 4.5Å; I56-F84 HydrophobicContact CG1-CD1 4.48Å; I56-F84 HydrophobicContact CG1-CE1 4.48Å; I56-F84 HydrophobicContact CG2-CB 3.63Å; I56-F84 HydrophobicContact CG2-CD1 3.27Å; I56-F84 HydrophobicContact CG2-CD2 4.42Å; I56-F84 HydrophobicContact CG2-CE1 3.96Å; I56-F84 HydrophobicContact CG2-CG 3.54Å
57L67.7Low62.1Low52 Ų5257 Ų5727%0.27227%0.272SS..Hα-helixtrans-67.8-38.6176.5-70.9177.4000112.6H53 H54 L59 V60 K61H53-L57 WeakPolarHBondContact NE2-CD1 3.38Å; H53-L57 WeakPolarHBondContact O-CG 3.37Å; H53-L57 PolarHBondContact O-N 2.9Å; H53-L57 VanDerWaalsContact O-N 3.1Å; H54-L57 PolarHBondContact O-N 2.88Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 PolarHBondContact O-N 3.38Å; L57-V60 PolarHBondContact O-N 2.96Å; L57-K61 WeakPolarHBondContact O-CB 3.09Å; L57-K61 WeakPolarHBondContact O-CG 3.27Å; L57-K61 PolarHBondContact O-N 3.45Å
58E64.7Low63.3Low57 Ų5761.5 Ų61.527%0.26629%0.293SS..Hα-helixtrans-60.3-42.3172.4-74.6-166.1160.300111.4R13 H54 L55 K61 A62R13-E58 IonicContact CZ-OE1 3.94Å; R13-E58 IonicContact CZ-OE2 3.62Å; R13-E58 IonicContact NE-OE2 3.34Å; R13-E58 PolarHBondContact NE-OE2 3.31Å; R13-E58 VanDerWaalsContact NH2-CD 3.34Å; R13-E58 IonicContact NH2-OE1 2.83Å; R13-E58 PolarHBondContact NH2-OE1 3.33Å; R13-E58 IonicContact NH2-OE2 3Å; R13-E58 PolarHBondContact NH2-OE2 2.94Å; H54-E58 IonicContact NE2-OE1 3.74Å; H54-E58 WeakPolarHBondContact O-CG 3.4Å; H54-E58 PolarHBondContact O-N 2.86Å; L55-E58 PolarHBondContact O-N 2.9Å; E58-K61 PolarHBondContact O-N 3.39Å; E58-A62 WeakPolarHBondContact O-CB 3.32Å; E58-A62 PolarHBondContact O-N 3Å
59L63.6Low64.4Low4 Ų460.1 Ų60.12%0.02129%0.286CS..Hα-helixtrans-62.4-47.8176.9-85.8176.3000112.4C12 L16 L43 Y46 L55 I56 L57 K61 A62 V63C12-L59 WeakPolarHBondContact SG-CD2 3.24Å; L16-L59 HydrophobicContact CD1-CD2 3.74Å; L16-L59 HydrophobicContact CD2-CD2 4.36Å; L16-L59 HydrophobicContact CG-CD2 4.23Å; L43-L59 HydrophobicContact CD2-CB 3.58Å; L43-L59 HydrophobicContact CD2-CD1 4.38Å; L43-L59 HydrophobicContact CD2-CD2 4.16Å; L43-L59 HydrophobicContact CD2-CG 4.26Å; Y46-L59 HydrophobicContact CG-CD1 4.35Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 3.46Å; I56-L59 WeakPolarHBondContact O-CB 3Å; I56-L59 PolarHBondContact O-N 3.21Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 PolarHBondContact O-N 3.38Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.99Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.46Å; L59-V63 PolarHBondContact O-N 3.37Å
60V68.6Low65.3Low10 Ų1058.1 Ų58.16%0.06127%0.272CS..Hα-helixtrans-59.8-42.9175.6168.20000111.1I56 L57 V63 N64 K81 F84I56-V60 WeakPolarHBondContact O-CG2 3.32Å; I56-V60 PolarHBondContact O-N 3.33Å; L57-V60 PolarHBondContact O-N 2.96Å; V60-V63 PolarHBondContact O-N 3.44Å; V60-N64 PolarHBondContact O-N 2.73Å; V60-K81 HydrophobicContact CG1-CB 4.33Å; V60-K81 HydrophobicContact CG1-CD 4.22Å; V60-K81 HydrophobicContact CG1-CG 4Å; V60-K81 HydrophobicContact CG2-CG 4.37Å; V60-F84 HydrophobicContact CG2-CB 3.87Å; V60-F84 HydrophobicContact CG2-CD2 3.91Å; V60-F84 HydrophobicContact CG2-CG 4.2Å
61K71.6Confident66.6Low142 Ų14263 Ų6362%0.61730%0.3SS*.Hα-helixtrans-62.1-44.4175.5-75.4178.2179.4-175.50112L57 E58 L59 V63 N64 N65L57-K61 WeakPolarHBondContact O-CB 3.09Å; L57-K61 WeakPolarHBondContact O-CG 3.27Å; L57-K61 PolarHBondContact O-N 3.45Å; E58-K61 PolarHBondContact O-N 3.39Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.99Å; K61-V63 VanDerWaalsContact C-N 3.32Å; K61-V63 PolarHBondContact O-N 2.93Å; K61-N64 PolarHBondContact O-N 3.48Å; K61-N65 VanDerWaalsContact O-CG 3.22Å; K61-N65 PolarHBondContact O-N 3.37Å; K61-N65 PolarHBondContact O-OD1 3.02Å
62A65.6Low67.3Low20 Ų2056.7 Ų56.717%0.16528%0.277CS..Hα-helixtrans-60.8-42.8178.100000111.7L16 E58 L59 N65 I66L16-A62 HydrophobicContact CD1-CB 3.61Å; L16-A62 HydrophobicContact CD2-CB 4.3Å; E58-A62 WeakPolarHBondContact O-CB 3.32Å; E58-A62 PolarHBondContact O-N 3Å; L59-A62 PolarHBondContact O-N 3.32Å; A62-N65 PolarHBondContact O-N 3.24Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 2.89Å; A62-I66 VanDerWaalsContact O-N 3.09Å
63V65.8Low68Low0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-66-42.9176.9169.10000112.3Y39 L43 L59 V60 K61 N65 I66 E67 K81Y39-V63 HydrophobicContact CD2-CB 4.16Å; Y39-V63 HydrophobicContact CD2-CG1 3.65Å; Y39-V63 HydrophobicContact CD2-CG2 3.58Å; Y39-V63 HydrophobicContact CE2-CB 4.42Å; Y39-V63 HydrophobicContact CE2-CG1 3.46Å; Y39-V63 VanDerWaalsContact CE2-CG1 3.46Å; Y39-V63 HydrophobicContact CE2-CG2 4.3Å; Y39-V63 HydrophobicContact CG-CG2 4.41Å; L43-V63 HydrophobicContact CD1-CB 4.27Å; L43-V63 HydrophobicContact CD1-CG1 4.27Å; L43-V63 HydrophobicContact CD1-CG2 3.67Å; L43-V63 HydrophobicContact CD2-CG2 3.86Å; L43-V63 HydrophobicContact CG-CG2 3.76Å; L59-V63 WeakPolarHBondContact O-CG2 3.46Å; L59-V63 PolarHBondContact O-N 3.37Å; V60-V63 PolarHBondContact O-N 3.44Å; K61-V63 VanDerWaalsContact C-N 3.32Å; K61-V63 PolarHBondContact O-N 2.93Å; V63-N65 VanDerWaalsContact C-N 3.27Å; V63-N65 PolarHBondContact O-N 3.09Å; V63-I66 PolarHBondContact O-N 2.96Å; V63-E67 HydrophobicContact CG1-CG 4.44Å; V63-E67 PolarHBondContact O-N 3.31Å; V63-K81 HydrophobicContact CG1-CD 4.35Å
64N73.7Confident68.4Low54 Ų5459.5 Ų59.529%0.28929%0.294SS..Hα-helixtrans-57.4-42.2173.8-79.3-18.9000112V60 K61 E67 Q68 K81V60-N64 PolarHBondContact O-N 2.73Å; K61-N64 PolarHBondContact O-N 3.48Å; N64-E67 PolarHBondContact O-N 3.47Å; N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.27Å; N64-Q68 WeakPolarHBondContact O-CG 3.28Å; N64-Q68 PolarHBondContact O-N 2.69Å; N64-K81 WeakPolarHBondContact OD1-CD 3.29Å; N64-K81 WeakPolarHBondContact OD1-CE 3.46Å; N64-K81 PolarHBondContact OD1-NZ 2.88Å
65N72.5Confident68.8Low100 Ų10058.7 Ų58.754%0.53530%0.299SS..Hα-helixtrans-65.2-39.4179-67.2-10.2000112.1K61 A62 V63 K69K61-N65 VanDerWaalsContact O-CG 3.22Å; K61-N65 PolarHBondContact O-N 3.37Å; K61-N65 PolarHBondContact O-OD1 3.02Å; A62-N65 PolarHBondContact O-N 3.24Å; V63-N65 VanDerWaalsContact C-N 3.27Å; V63-N65 PolarHBondContact O-N 3.09Å; N65-K69 VanDerWaalsContact O-CB 3.27Å; N65-K69 WeakPolarHBondContact O-CB 3.38Å; N65-K69 PolarHBondContact O-N 2.91Å
66I65.3Low69.1Low6 Ų664.8 Ų64.83%0.03133%0.325CS..Hα-helixtrans-63.4-50175.8-70.5168.5000110.2I20 Y39 A62 V63 Q68 K69 Y70I20-I66 HydrophobicContact CD1-CD1 4.28Å; I20-I66 HydrophobicContact CD1-CG1 4.37Å; I20-I66 HydrophobicContact CG1-CD1 3.76Å; I20-I66 HydrophobicContact CG1-CG1 3.95Å; Y39-I66 HydrophobicContact CD1-CG2 4.04Å; Y39-I66 HydrophobicContact CE1-CG2 4.04Å; Y39-I66 HydrophobicContact CG-CD1 4.44Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 2.89Å; A62-I66 VanDerWaalsContact O-N 3.09Å; V63-I66 PolarHBondContact O-N 2.96Å; I66-Q68 VanDerWaalsContact C-N 3.35Å; I66-Q68 PolarHBondContact O-N 3.46Å; I66-K69 PolarHBondContact O-N 2.9Å; I66-Y70 HydrophobicContact CG2-CD2 3.89Å; I66-Y70 HydrophobicContact CG2-CE2 3.9Å; I66-Y70 WeakPolarHBondContact O-CD2 3.48Å; I66-Y70 PolarHBondContact O-N 3.39Å; I66-Y70 VanDerWaalsContact O-N 3.17Å
67E67.9Low69.2Low7 Ų763.9 Ų63.93%0.03332%0.32CS..Hα-helixtrans-60.7-42.4179.9-77.4-169.7142.400112.5Y39 V63 N64 N71 I72 Y74 S77 K81Y39-E67 HydrophobicContact CE2-CG 4.45Å; Y39-E67 WeakPolarHBondContact OH-CG 3.37Å; Y39-E67 PolarHBondContact OH-OE1 3.28Å; V63-E67 HydrophobicContact CG1-CG 4.44Å; V63-E67 PolarHBondContact O-N 3.31Å; N64-E67 PolarHBondContact O-N 3.47Å; E67-N71 WeakPolarHBondContact O-CA 3.26Å; E67-N71 PolarHBondContact O-N 3.32Å; E67-I72 VanDerWaalsContact CB-O 3.27Å; E67-I72 WeakPolarHBondContact CB-O 3.23Å; E67-I72 HydrophobicContact CG-CG1 4.4Å; E67-I72 PolarHBondContact O-N 3.02Å; E67-Y74 PolarHBondContact OE1-N 3.44Å; E67-S77 WeakPolarHBondContact OE1-CB 3.4Å; E67-S77 PolarHBondContact OE1-OG 3.3Å; E67-S77 PolarHBondContact OE2-OG 3.45Å; E67-K81 IonicContact OE2-NZ 2.65Å; E67-K81 PolarHBondContact OE2-NZ 3.41Å
68Q76.9Confident69.3Low147 Ų14765.3 Ų65.369%0.68733%0.328SS*.Hα-helixtrans-65-43.6174.9-74.9176.9-13.100112.4N64 I66 Y70 N71N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.27Å; N64-Q68 WeakPolarHBondContact O-CG 3.28Å; N64-Q68 PolarHBondContact O-N 2.69Å; I66-Q68 VanDerWaalsContact C-N 3.35Å; I66-Q68 PolarHBondContact O-N 3.46Å; Q68-Y70 VanDerWaalsContact C-N 3.25Å; Q68-Y70 PolarHBondContact O-N 3.06Å; Q68-N71 PolarHBondContact O-N 3.4Å
69K73.2Confident69.3Low116 Ų11669.9 Ų69.950%0.50435%0.347SS..Hα-helixtrans-58.5-38.7-179.7-179.6-177.2172.4-165.50111.9D24 N65 I66D24-K69 IonicContact OD1-NZ 3.82Å; D24-K69 PolarHBondContact OD1-NZ 3.47Å; D24-K69 IonicContact OD2-NZ 2.71Å; D24-K69 PolarHBondContact OD2-NZ 2.81Å; N65-K69 VanDerWaalsContact O-CB 3.27Å; N65-K69 WeakPolarHBondContact O-CB 3.38Å; N65-K69 PolarHBondContact O-N 2.91Å; I66-K69 PolarHBondContact O-N 2.9Å
70Y68.5Low69.3Low43 Ų4373.1 Ų73.117%0.16936%0.359CS..Hα-helixtrans-98.91.3-178.3-59.4-58.3000113.9E23 D24 I33 I66 Q68 I72E23-Y70 HydrophobicContact CB-CE2 4.49Å; D24-Y70 VanDerWaalsContact CG-OH 3.26Å; D24-Y70 PolarHBondContact OD1-OH 3.29Å; I33-Y70 HydrophobicContact CD1-CD1 3.68Å; I33-Y70 HydrophobicContact CD1-CE1 3.21Å; I66-Y70 HydrophobicContact CG2-CD2 3.89Å; I66-Y70 HydrophobicContact CG2-CE2 3.9Å; I66-Y70 WeakPolarHBondContact O-CD2 3.48Å; I66-Y70 PolarHBondContact O-N 3.39Å; I66-Y70 VanDerWaalsContact O-N 3.17Å; Q68-Y70 VanDerWaalsContact C-N 3.25Å; Q68-Y70 PolarHBondContact O-N 3.06Å; Y70-I72 VanDerWaalsContact C-N 3.25Å; Y70-I72 HydrophobicContact CD2-CD1 4.21Å; Y70-I72 HydrophobicContact CG-CD1 4.36Å; Y70-I72 WeakPolarHBondContact O-CG2 3.27Å; Y70-I72 PolarHBondContact O-N 2.85Å
71N76.5Confident69.1Low155 Ų15573.7 Ų73.783%0.82936%0.36SS*.THydrogen-bonded Turntrans51.444.3-174.6-166.138.1000112.9E67 Q68E67-N71 WeakPolarHBondContact O-CA 3.26Å; E67-N71 PolarHBondContact O-N 3.32Å; Q68-N71 PolarHBondContact O-N 3.4Å
72I68.1Low68.9Low43 Ų4372.5 Ų72.522%0.22136%0.357CS..  trans-119.5153.6179.962.8-168.1000110.2A35 E67 Y70 Y74A35-I72 HydrophobicContact CB-CD1 4.3Å; E67-I72 VanDerWaalsContact CB-O 3.27Å; E67-I72 WeakPolarHBondContact CB-O 3.23Å; E67-I72 HydrophobicContact CG-CG1 4.4Å; E67-I72 PolarHBondContact O-N 3.02Å; Y70-I72 VanDerWaalsContact C-N 3.25Å; Y70-I72 HydrophobicContact CD2-CD1 4.21Å; Y70-I72 HydrophobicContact CG-CD1 4.36Å; Y70-I72 WeakPolarHBondContact O-CG2 3.27Å; Y70-I72 PolarHBondContact O-N 2.85Å; I72-Y74 HydrophobicContact CB-CE2 4.27Å; I72-Y74 HydrophobicContact CD1-CD2 4.46Å; I72-Y74 HydrophobicContact CD1-CE2 3.56Å; I72-Y74 HydrophobicContact CG1-CD2 4.38Å; I72-Y74 HydrophobicContact CG1-CE2 3.9Å
73T73.7Confident68.5Low94 Ų9473.3 Ų73.358%0.57736%0.361SS*.  trans-141.7120172.5-64.50000109L78T73-L78 HydrophobicContact CG2-CD1 3.5Å; T73-L78 VanDerWaalsContact CG2-CD1 3.5Å; T73-L78 HydrophobicContact CG2-CD2 3.99Å; T73-L78 HydrophobicContact CG2-CG 3.72Å
74Y68.8Low68.2Low54 Ų5473.4 Ų73.421%0.21236%0.361CS..  trans-95.8127.7178.7-72.4-96.9000111.1A35 N37 Y39 E67 I72 K76 S77 L78A35-Y74 WeakPolarHBondContact CB-OH 3.31Å; A35-Y74 PolarHBondContact O-OH 3.31Å; N37-Y74 HydrophobicContact CB-CE1 4.33Å; Y39-Y74 HydrophobicContact CE1-CE2 4.25Å; Y39-Y74 AromaticContact CZ-CD2 3.94Å; Y39-Y74 WeakPolarHBondContact OH-CD2 3.44Å; Y39-Y74 WeakPolarHBondContact OH-CE2 3.45Å; E67-Y74 PolarHBondContact OE1-N 3.44Å; I72-Y74 HydrophobicContact CB-CE2 4.27Å; I72-Y74 HydrophobicContact CD1-CD2 4.46Å; I72-Y74 HydrophobicContact CD1-CE2 3.56Å; I72-Y74 HydrophobicContact CG1-CD2 4.38Å; I72-Y74 HydrophobicContact CG1-CE2 3.9Å; Y74-K76 PolarHBondContact O-N 2.96Å; Y74-K76 VanDerWaalsContact O-N 3.1Å; Y74-S77 PolarHBondContact O-N 2.83Å; Y74-S77 PolarHBondContact O-OG 2.82Å; Y74-L78 PolarHBondContact O-N 3.49Å
75P70.9Confident67.7Low96 Ų9674.5 Ų74.562%0.62337%0.366SS*.Hα-helixtrans-56.2-32.9176.8-28.335.3000113.8K79P75-K79 PolarHBondContact O-N 3.35Å
76K64.4Low67Low141 Ų14174 Ų7461%0.61336%0.363SS*.Hα-helixtrans-68.5-43.4174.6-72-176179.6178.20111.9V40 Y74 L78 K79 W80V40-K76 HydrophobicContact CG1-CB 4.41Å; Y74-K76 PolarHBondContact O-N 2.96Å; Y74-K76 VanDerWaalsContact O-N 3.1Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.43Å; K76-K79 PolarHBondContact O-N 3.43Å; K76-W80 PolarHBondContact O-N 2.8Å; K76-W80 VanDerWaalsContact O-N 3.11Å
77S65Low66.3Low0 Ų076.9 Ų76.90%038%0.377CS..Hα-helixtrans-63.1-41.3178.774.70000110.3E67 Y74 W80 K81E67-S77 WeakPolarHBondContact OE1-CB 3.4Å; E67-S77 PolarHBondContact OE1-OG 3.3Å; E67-S77 PolarHBondContact OE2-OG 3.45Å; Y74-S77 PolarHBondContact O-N 2.83Å; Y74-S77 PolarHBondContact O-OG 2.82Å; S77-W80 PolarHBondContact O-N 2.86Å; S77-K81 WeakPolarHBondContact O-CB 3.35Å; S77-K81 VanDerWaalsContact O-CG 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.25Å; S77-K81 PolarHBondContact O-N 3.33Å
78L69.8Low65.9Low82 Ų8277.4 Ų77.443%0.42938%0.381SS..Hα-helixtrans-56.7-53.7176.9-73.9175.7000111.8T73 Y74 K76 W80 K81 E82T73-L78 HydrophobicContact CG2-CD1 3.5Å; T73-L78 VanDerWaalsContact CG2-CD1 3.5Å; T73-L78 HydrophobicContact CG2-CD2 3.99Å; T73-L78 HydrophobicContact CG2-CG 3.72Å; Y74-L78 PolarHBondContact O-N 3.49Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.43Å; L78-W80 VanDerWaalsContact C-N 3.26Å; L78-W80 PolarHBondContact O-N 3.18Å; L78-K81 PolarHBondContact O-N 2.86Å; L78-E82 WeakPolarHBondContact O-CB 3.48Å; L78-E82 PolarHBondContact O-N 3.42Å
79K65.9Low64.9Low153 Ų15374.3 Ų74.367%0.66537%0.369SS*.Hα-helixtrans-56.9-40.9177.8-72.9-176.5178-173.60112.1P75 K76 C83P75-K79 PolarHBondContact O-N 3.35Å; K76-K79 PolarHBondContact O-N 3.43Å; K79-C83 VanDerWaalsContact O-CB 3.27Å; K79-C83 WeakPolarHBondContact O-CB 3.44Å; K79-C83 PolarHBondContact O-N 2.79Å
80W62.2Low63.8Low73 Ų7370.9 Ų70.928%0.27736%0.362SS..Hα-helixtrans-68.8-45.7178.1-76121.4000112.3V44 K47 K76 S77 L78 E82 C83 F84V44-W80 HydrophobicContact CG2-CD2 4.35Å; V44-W80 HydrophobicContact CG2-CZ2 3.81Å; K47-W80 HydrophobicContact CD-CE3 4.26Å; K47-W80 HydrophobicContact CD-CH2 4.46Å; K47-W80 HydrophobicContact CD-CZ3 3.63Å; K76-W80 PolarHBondContact O-N 2.8Å; K76-W80 VanDerWaalsContact O-N 3.11Å; S77-W80 PolarHBondContact O-N 2.86Å; L78-W80 VanDerWaalsContact C-N 3.26Å; L78-W80 PolarHBondContact O-N 3.18Å; W80-E82 VanDerWaalsContact C-N 3.32Å; W80-E82 PolarHBondContact O-N 3.23Å; W80-C83 WeakPolarHBondContact O-CB 3.33Å; W80-C83 PolarHBondContact O-N 3.46Å; W80-F84 HydrophobicContact CB-CD2 4.34Å; W80-F84 HydrophobicContact CB-CE2 4.06Å; W80-F84 WeakPolarHBondContact O-CB 3.41Å; W80-F84 WeakPolarHBondContact O-CD2 3.42Å; W80-F84 WeakPolarHBondContact O-CG 3.35Å; W80-F84 PolarHBondContact O-N 2.83Å
81K65Low63Low21 Ų2172.1 Ų72.19%0.09137%0.367CS..Hα-helixtrans-58.6-44.9176.5-71.2-176.1-60.4-174.10111.2V60 V63 N64 E67 S77 L78 F84 I85V60-K81 HydrophobicContact CG1-CB 4.33Å; V60-K81 HydrophobicContact CG1-CD 4.22Å; V60-K81 HydrophobicContact CG1-CG 4Å; V60-K81 HydrophobicContact CG2-CG 4.37Å; V63-K81 HydrophobicContact CG1-CD 4.35Å; N64-K81 WeakPolarHBondContact OD1-CD 3.29Å; N64-K81 WeakPolarHBondContact OD1-CE 3.46Å; N64-K81 PolarHBondContact OD1-NZ 2.88Å; E67-K81 IonicContact OE2-NZ 2.65Å; E67-K81 PolarHBondContact OE2-NZ 3.41Å; S77-K81 WeakPolarHBondContact O-CB 3.35Å; S77-K81 VanDerWaalsContact O-CG 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.25Å; S77-K81 PolarHBondContact O-N 3.33Å; L78-K81 PolarHBondContact O-N 2.86Å; K81-F84 PolarHBondContact O-N 3.49Å; K81-I85 WeakPolarHBondContact O-CB 3.38Å; K81-I85 VanDerWaalsContact O-CG1 3.24Å; K81-I85 WeakPolarHBondContact O-CG1 3.49Å; K81-I85 PolarHBondContact O-N 3.02Å
82E67Low62.1Low118 Ų11871.5 Ų71.555%0.55136%0.357SS*.Hα-helixtrans-60.6-48.5175.3-175.7-179.2-174.200111.6L78 W80 F84 I85 N86L78-E82 WeakPolarHBondContact O-CB 3.48Å; L78-E82 PolarHBondContact O-N 3.42Å; W80-E82 VanDerWaalsContact C-N 3.32Å; W80-E82 PolarHBondContact O-N 3.23Å; E82-F84 VanDerWaalsContact C-N 3.32Å; E82-F84 PolarHBondContact O-N 3.27Å; E82-I85 PolarHBondContact O-N 3.33Å; E82-N86 WeakPolarHBondContact O-CB 3.48Å; E82-N86 PolarHBondContact O-N 3.13Å; E82-N86 PolarHBondContact O-ND2 2.96Å
83C57.8Low61.3Low36 Ų3673.4 Ų73.424%0.24337%0.368CS..Hα-helixtrans-56.3-46175.4178.60000111.7K47 K79 W80 N86 E87K47-C83 PolarHBondContact NZ-SG 3.3Å; K79-C83 VanDerWaalsContact O-CB 3.27Å; K79-C83 WeakPolarHBondContact O-CB 3.44Å; K79-C83 PolarHBondContact O-N 2.79Å; W80-C83 WeakPolarHBondContact O-CB 3.33Å; W80-C83 PolarHBondContact O-N 3.46Å; C83-N86 PolarHBondContact O-N 3.1Å; C83-E87 WeakPolarHBondContact O-CB 3.32Å; C83-E87 WeakPolarHBondContact O-CG 3.35Å; C83-E87 PolarHBondContact O-N 2.95Å; C83-E87 PolarHBondContact SG-OE1 3.46Å; C83-E87 VanDerWaalsContact SG-OE1 3.38Å
84F60.1Low60.3Low3 Ų373.6 Ų73.61%0.01336%0.363CS..Hα-helixtrans-65-39.3177.9-73-53.7000113L43 K47 I56 V60 W80 K81 E82 S88L43-F84 HydrophobicContact CB-CE2 4.16Å; L43-F84 HydrophobicContact CD1-CE2 4.42Å; L43-F84 HydrophobicContact CD2-CE2 4.4Å; K47-F84 HydrophobicContact CB-CE1 3.87Å; K47-F84 HydrophobicContact CB-CZ 3.94Å; K47-F84 HydrophobicContact CD-CE1 3.92Å; K47-F84 HydrophobicContact CD-CZ 4.22Å; K47-F84 HydrophobicContact CG-CE1 3.82Å; K47-F84 HydrophobicContact CG-CZ 4.28Å; I56-F84 HydrophobicContact CB-CD1 4.48Å; I56-F84 HydrophobicContact CD1-CD1 4.39Å; I56-F84 HydrophobicContact CD1-CE1 4.5Å; I56-F84 HydrophobicContact CG1-CD1 4.48Å; I56-F84 HydrophobicContact CG1-CE1 4.48Å; I56-F84 HydrophobicContact CG2-CB 3.63Å; I56-F84 HydrophobicContact CG2-CD1 3.27Å; I56-F84 HydrophobicContact CG2-CD2 4.42Å; I56-F84 HydrophobicContact CG2-CE1 3.96Å; I56-F84 HydrophobicContact CG2-CG 3.54Å; V60-F84 HydrophobicContact CG2-CB 3.87Å; V60-F84 HydrophobicContact CG2-CD2 3.91Å; V60-F84 HydrophobicContact CG2-CG 4.2Å; W80-F84 HydrophobicContact CB-CD2 4.34Å; W80-F84 HydrophobicContact CB-CE2 4.06Å; W80-F84 WeakPolarHBondContact O-CB 3.41Å; W80-F84 WeakPolarHBondContact O-CD2 3.42Å; W80-F84 WeakPolarHBondContact O-CG 3.35Å; W80-F84 PolarHBondContact O-N 2.83Å; K81-F84 PolarHBondContact O-N 3.49Å; E82-F84 VanDerWaalsContact C-N 3.32Å; E82-F84 PolarHBondContact O-N 3.27Å; F84-S88 WeakPolarHBondContact O-CB 3.48Å; F84-S88 PolarHBondContact O-N 3.46Å
85I63.2Low59.8Low76 Ų7672.3 Ų72.339%0.3936%0.361SS..Hα-helixtrans-64.9-45.5176.1-71164.9000110.2K81 E82 S88 I89K81-I85 WeakPolarHBondContact O-CB 3.38Å; K81-I85 VanDerWaalsContact O-CG1 3.24Å; K81-I85 WeakPolarHBondContact O-CG1 3.49Å; K81-I85 PolarHBondContact O-N 3.02Å; E82-I85 PolarHBondContact O-N 3.33Å; I85-S88 VanDerWaalsContact O-CB 3.29Å; I85-S88 WeakPolarHBondContact O-CB 3.48Å; I85-S88 PolarHBondContact O-N 3.11Å; I85-I89 HydrophobicContact CG2-CD1 3.84Å; I85-I89 HydrophobicContact CG2-CG1 4.5Å; I85-I89 VanDerWaalsContact O-CG1 3.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 3.37Å
86N56.8Low59.3Low89 Ų8970.4 Ų70.448%0.47635%0.345SS..Hα-helixtrans-66-44.4179.6-71.5-21.3000112E82 C83 S88 I89 A90E82-N86 WeakPolarHBondContact O-CB 3.48Å; E82-N86 PolarHBondContact O-N 3.13Å; E82-N86 PolarHBondContact O-ND2 2.96Å; C83-N86 PolarHBondContact O-N 3.1Å; N86-S88 VanDerWaalsContact C-N 3.28Å; N86-S88 PolarHBondContact O-N 3.34Å; N86-I89 PolarHBondContact O-N 3.16Å; N86-A90 WeakPolarHBondContact O-CB 3.37Å; N86-A90 PolarHBondContact O-N 2.9Å
87E51.4Low59.1Low68 Ų6868 Ų6832%0.31834%0.338SS..Hα-helixtrans-61.5-38.3172.9-75.3179.1-17100111.3K47 C83 A90 Y91K47-E87 WeakPolarHBondContact CE-OE1 3.37Å; K47-E87 IonicContact NZ-OE1 2.8Å; K47-E87 PolarHBondContact NZ-OE1 3.12Å; K47-E87 IonicContact NZ-OE2 2.75Å; C83-E87 WeakPolarHBondContact O-CB 3.32Å; C83-E87 WeakPolarHBondContact O-CG 3.35Å; C83-E87 PolarHBondContact O-N 2.95Å; C83-E87 PolarHBondContact SG-OE1 3.46Å; C83-E87 VanDerWaalsContact SG-OE1 3.38Å; E87-A90 PolarHBondContact O-N 3.02Å; E87-Y91 VanDerWaalsContact O-CB 3.25Å; E87-Y91 WeakPolarHBondContact O-CB 3.31Å; E87-Y91 PolarHBondContact O-N 3.37Å
88S57.9Low58.9Low17 Ų1772.9 Ų72.912%0.11936%0.357CS..Hα-helixtrans-62.7-46.1175.61600000112.2H53 F84 I85 N86 Y91 K92H53-S88 VanDerWaalsContact CE1-CB 3.46Å; H53-S88 WeakPolarHBondContact CE1-CB 3.49Å; H53-S88 PolarHBondContact CE1-O 3Å; H53-S88 PolarHBondContact CE1-OG 3.17Å; H53-S88 PolarHBondContact ND1-OG 3.31Å; F84-S88 WeakPolarHBondContact O-CB 3.48Å; F84-S88 PolarHBondContact O-N 3.46Å; I85-S88 VanDerWaalsContact O-CB 3.29Å; I85-S88 WeakPolarHBondContact O-CB 3.48Å; I85-S88 PolarHBondContact O-N 3.11Å; N86-S88 VanDerWaalsContact C-N 3.28Å; N86-S88 PolarHBondContact O-N 3.34Å; S88-Y91 PolarHBondContact O-N 3.48Å; S88-K92 WeakPolarHBondContact O-CB 3.43Å; S88-K92 PolarHBondContact O-N 2.8Å
89I57.3Low58.5Low82 Ų8270.3 Ų70.342%0.42134%0.344SS..Hα-helixtrans-63.8-47.2174.9-68.6165.2000110.3I85 N86 Y91 K92 N93I85-I89 HydrophobicContact CG2-CD1 3.84Å; I85-I89 HydrophobicContact CG2-CG1 4.5Å; I85-I89 VanDerWaalsContact O-CG1 3.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 3.37Å; N86-I89 PolarHBondContact O-N 3.16Å; I89-Y91 VanDerWaalsContact C-N 3.33Å; I89-Y91 PolarHBondContact O-N 3.3Å; I89-K92 PolarHBondContact O-N 2.87Å; I89-N93 WeakPolarHBondContact O-CB 3.48Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.91Å
90A48.9Very low58.4Low44 Ų4469.6 Ų69.636%0.36434%0.337SS..Hα-helixtrans-59.4-44.9177.400000111.1N86 E87 N93 M94N86-A90 WeakPolarHBondContact O-CB 3.37Å; N86-A90 PolarHBondContact O-N 2.9Å; E87-A90 PolarHBondContact O-N 3.02Å; A90-N93 PolarHBondContact O-N 3.43Å; A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.3Å; A90-M94 PolarHBondContact O-N 2.9Å
91Y51.8Low58.6Low69 Ų6970.9 Ų70.927%0.27135%0.346SS..Hα-helixtrans-61.1-45.2174.9-176.1-96.5000111.4H53 E87 S88 I89 N93 T95H53-Y91 HydrophobicContact CB-CD1 4.2Å; H53-Y91 HydrophobicContact CB-CE1 4.34Å; H53-Y91 AromaticContact ND1-CD1 3.99Å; E87-Y91 VanDerWaalsContact O-CB 3.25Å; E87-Y91 WeakPolarHBondContact O-CB 3.31Å; E87-Y91 PolarHBondContact O-N 3.37Å; S88-Y91 PolarHBondContact O-N 3.48Å; I89-Y91 VanDerWaalsContact C-N 3.33Å; I89-Y91 PolarHBondContact O-N 3.3Å; Y91-N93 VanDerWaalsContact C-N 3.35Å; Y91-N93 PolarHBondContact O-N 3.23Å; Y91-T95 WeakPolarHBondContact CE1-OG1 3.49Å; Y91-T95 WeakPolarHBondContact O-CA 3.16Å; Y91-T95 WeakPolarHBondContact O-CB 3.42Å; Y91-T95 PolarHBondContact O-N 3.46Å; Y91-T95 PolarHBondContact O-OG1 3.27Å
92K57.7Low58.5Low143 Ų14370.5 Ų70.562%0.62235%0.346SS*.Hα-helixtrans-61.9-40.6176.2-172.9-178.6177.9-1750112S88 I89 T95 L96S88-K92 WeakPolarHBondContact O-CB 3.43Å; S88-K92 PolarHBondContact O-N 2.8Å; I89-K92 PolarHBondContact O-N 2.87Å; K92-T95 VanDerWaalsContact O-CB 3.3Å; K92-T95 WeakPolarHBondContact O-CB 3.18Å; K92-T95 PolarHBondContact O-N 3.26Å; K92-L96 WeakPolarHBondContact O-CB 3.4Å; K92-L96 PolarHBondContact O-N 2.77Å
93N52.6Low58.2Low83 Ų8365.8 Ų65.844%0.44433%0.325SS..Hα-helixtrans-69.2-48178.7-72.2-13000111.8I89 A90 Y91 T95 L96 I97I89-N93 WeakPolarHBondContact O-CB 3.48Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.91Å; A90-N93 PolarHBondContact O-N 3.43Å; Y91-N93 VanDerWaalsContact C-N 3.35Å; Y91-N93 PolarHBondContact O-N 3.23Å; N93-T95 PolarHBondContact O-N 2.92Å; N93-L96 PolarHBondContact O-N 2.91Å; N93-I97 VanDerWaalsContact O-CG1 3.3Å; N93-I97 WeakPolarHBondContact O-CG1 3.4Å; N93-I97 PolarHBondContact O-N 3.47Å
94M52.9Low58.7Low98 Ų9868 Ų6848%0.48334%0.335SS..Hα-helixtrans-56.8-40.3170.9-73.1-171.6-69.600110.1A90 L96 I97 Y98A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.3Å; A90-M94 PolarHBondContact O-N 2.9Å; M94-L96 PolarHBondContact O-N 2.87Å; M94-I97 PolarHBondContact O-N 2.59Å; M94-Y98 HydrophobicContact CB-CD2 4.47Å; M94-Y98 WeakPolarHBondContact O-CB 3.43Å; M94-Y98 WeakPolarHBondContact O-CD2 3.38Å; M94-Y98 PolarHBondContact O-N 2.7Å
95T58.3Low58.9Low27 Ų2772.7 Ų72.717%0.16636%0.355CS..Hα-helixtrans-59.3-51.2178.9-64.40000111.1Y91 K92 N93 Y98 N99 R124Y91-T95 WeakPolarHBondContact CE1-OG1 3.49Å; Y91-T95 WeakPolarHBondContact O-CA 3.16Å; Y91-T95 WeakPolarHBondContact O-CB 3.42Å; Y91-T95 PolarHBondContact O-N 3.46Å; Y91-T95 PolarHBondContact O-OG1 3.27Å; K92-T95 VanDerWaalsContact O-CB 3.3Å; K92-T95 WeakPolarHBondContact O-CB 3.18Å; K92-T95 PolarHBondContact O-N 3.26Å; N93-T95 PolarHBondContact O-N 2.92Å; T95-Y98 PolarHBondContact O-N 3.13Å; T95-N99 WeakPolarHBondContact O-CB 3.31Å; T95-N99 PolarHBondContact O-N 2.93Å; T95-N99 PolarHBondContact O-OD1 3.47Å; T95-R124 VanDerWaalsContact CB-NH1 3.34Å; T95-R124 VanDerWaalsContact CB-NH2 3.31Å; T95-R124 PolarHBondContact O-NH2 2.94Å; T95-R124 PolarHBondContact OG1-NH1 2.89Å
96L59.7Low58.9Low55 Ų5570.7 Ų70.729%0.28835%0.345SS..Hα-helixtrans-60.1-47178.4-179.265.9000111.9K92 N93 M94 N99 R100 V147K92-L96 WeakPolarHBondContact O-CB 3.4Å; K92-L96 PolarHBondContact O-N 2.77Å; N93-L96 PolarHBondContact O-N 2.91Å; M94-L96 PolarHBondContact O-N 2.87Å; L96-N99 PolarHBondContact O-N 3.31Å; L96-R100 WeakPolarHBondContact O-CB 2.99Å; L96-R100 WeakPolarHBondContact O-CG 3.35Å; L96-R100 PolarHBondContact O-N 3.31Å; L96-V147 HydrophobicContact CD1-CG1 3.72Å; L96-V147 HydrophobicContact CD1-CG2 4.4Å
97I60.3Low59.4Low92 Ų9273.7 Ų73.747%0.47235%0.354SS..Hα-helixtrans-59.8-49.1178.5-68165.7000110.2N93 M94 N99 R100 Q101N93-I97 VanDerWaalsContact O-CG1 3.3Å; N93-I97 WeakPolarHBondContact O-CG1 3.4Å; N93-I97 PolarHBondContact O-N 3.47Å; M94-I97 PolarHBondContact O-N 2.59Å; I97-N99 PolarHBondContact O-N 3.37Å; I97-R100 PolarHBondContact O-N 3.14Å; I97-Q101 WeakPolarHBondContact O-CG 3.49Å; I97-Q101 PolarHBondContact O-N 2.83Å
98Y61.3Low60.2Low101 Ų10175.2 Ų75.240%0.39636%0.361SS..Hα-helixtrans-64.2-38.7177.7-85.5-67000112.7M94 T95 Q101 T102M94-Y98 HydrophobicContact CB-CD2 4.47Å; M94-Y98 WeakPolarHBondContact O-CB 3.43Å; M94-Y98 WeakPolarHBondContact O-CD2 3.38Å; M94-Y98 PolarHBondContact O-N 2.7Å; T95-Y98 PolarHBondContact O-N 3.13Å; Y98-Q101 PolarHBondContact O-N 2.92Å; Y98-T102 VanDerWaalsContact O-CB 3.28Å; Y98-T102 WeakPolarHBondContact O-CB 3.22Å; Y98-T102 PolarHBondContact O-N 2.98Å; Y98-T102 PolarHBondContact O-OG1 2.89Å
99N60Low60.3Low29 Ų2980.4 Ų80.416%0.15539%0.394CS..Hα-helixtrans-62.3-47.8175.1-71.38000110.2T95 L96 I97 Q101 T102 C103 W120 R124T95-N99 WeakPolarHBondContact O-CB 3.31Å; T95-N99 PolarHBondContact O-N 2.93Å; T95-N99 PolarHBondContact O-OD1 3.47Å; L96-N99 PolarHBondContact O-N 3.31Å; I97-N99 PolarHBondContact O-N 3.37Å; N99-Q101 PolarHBondContact O-N 2.93Å; N99-T102 WeakPolarHBondContact O-CB 3.47Å; N99-T102 PolarHBondContact O-N 2.86Å; N99-C103 PolarHBondContact O-N 3.31Å; N99-C103 PolarHBondContact O-SG 2.9Å; N99-W120 WeakPolarHBondContact OD1-CZ2 3.25Å; N99-W120 PolarHBondContact OD1-NE1 2.86Å; N99-R124 PolarHBondContact OD1-NH2 3.5Å
100R64.5Low60.6Low137 Ų13783.8 Ų83.852%0.51741%0.413SS..Hα-helixtrans-57.7-49.9175.8-75.5179.7177.5179.6-1.9111.7L96 I97 T102 C103 D104L96-R100 WeakPolarHBondContact O-CB 2.99Å; L96-R100 WeakPolarHBondContact O-CG 3.35Å; L96-R100 PolarHBondContact O-N 3.31Å; I97-R100 PolarHBondContact O-N 3.14Å; R100-T102 VanDerWaalsContact C-N 3.27Å; R100-T102 PolarHBondContact O-N 3.25Å; R100-C103 WeakPolarHBondContact O-CB 3.37Å; R100-C103 PolarHBondContact O-N 3.17Å; R100-C103 VanDerWaalsContact O-N 3.16Å; R100-D104 VanDerWaalsContact O-CG 3.27Å; R100-D104 PolarHBondContact O-N 3.5Å
101Q66.2Low61Low101 Ų10185 Ų8547%0.47241%0.411SS..Hα-helixtrans-58.9-38.7176.3-73176.2-1700112.4I97 Y98 N99 D104 K105I97-Q101 WeakPolarHBondContact O-CG 3.49Å; I97-Q101 PolarHBondContact O-N 2.83Å; Y98-Q101 PolarHBondContact O-N 2.92Å; N99-Q101 PolarHBondContact O-N 2.93Å; Q101-D104 PolarHBondContact O-N 3.49Å; Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.29Å
102T62.1Low61.5Low13 Ų1385.1 Ų85.18%0.0842%0.421CS..Hα-helixtrans-66.1-46.7175.8-61.30000110.8Y98 N99 R100 D104 K105 L106 V116 W120Y98-T102 VanDerWaalsContact O-CB 3.28Å; Y98-T102 WeakPolarHBondContact O-CB 3.22Å; Y98-T102 PolarHBondContact O-N 2.98Å; Y98-T102 PolarHBondContact O-OG1 2.89Å; N99-T102 WeakPolarHBondContact O-CB 3.47Å; N99-T102 PolarHBondContact O-N 2.86Å; R100-T102 VanDerWaalsContact C-N 3.27Å; R100-T102 PolarHBondContact O-N 3.25Å; T102-D104 VanDerWaalsContact C-N 3.3Å; T102-D104 PolarHBondContact O-N 3.3Å; T102-K105 PolarHBondContact O-N 2.84Å; T102-L106 HydrophobicContact CG2-CD1 4Å; T102-L106 HydrophobicContact CG2-CG 4.42Å; T102-L106 VanDerWaalsContact O-CG 3.25Å; T102-L106 WeakPolarHBondContact O-CG 3.18Å; T102-L106 PolarHBondContact O-N 2.92Å; T102-V116 HydrophobicContact CG2-CG1 3.81Å; T102-W120 HydrophobicContact CG2-CB 4.18Å; T102-W120 HydrophobicContact CG2-CG 4.23Å; T102-W120 VanDerWaalsContact OG1-CD1 3.26Å
103C61.5Low61.7Low19 Ų1982.5 Ų82.513%0.12841%0.414CS..Hα-helixtrans-56-45.8173.5-610000111.8N99 R100 K105 L106 K107 L144N99-C103 PolarHBondContact O-N 3.31Å; N99-C103 PolarHBondContact O-SG 2.9Å; R100-C103 WeakPolarHBondContact O-CB 3.37Å; R100-C103 PolarHBondContact O-N 3.17Å; R100-C103 VanDerWaalsContact O-N 3.16Å; C103-K105 VanDerWaalsContact C-N 3.32Å; C103-K105 PolarHBondContact O-N 3.4Å; C103-L106 PolarHBondContact O-N 2.87Å; C103-K107 WeakPolarHBondContact O-CG 3.39Å; C103-K107 PolarHBondContact O-N 3.03Å; C103-L144 WeakPolarHBondContact SG-CD1 3.28Å
104D68.6Low62.1Low83 Ų8382.6 Ų82.644%0.44442%0.417SS..Hα-helixtrans-67.5-34.9-177.9-66.6-25.2000111.5R100 Q101 T102 K107 Q108R100-D104 VanDerWaalsContact O-CG 3.27Å; R100-D104 PolarHBondContact O-N 3.5Å; Q101-D104 PolarHBondContact O-N 3.49Å; T102-D104 VanDerWaalsContact C-N 3.3Å; T102-D104 PolarHBondContact O-N 3.3Å; D104-K107 PolarHBondContact O-N 2.86Å; D104-K107 IonicContact OD1-NZ 3.4Å; D104-K107 PolarHBondContact OD1-NZ 3.46Å; D104-Q108 WeakPolarHBondContact O-CG 3.21Å
105K65.1Low62.6Low101 Ų10185.3 Ų85.344%0.43942%0.423SS..Hα-helixtrans-66.4-42.8170.5-76.7-174.2176.1-163.50112.7Q101 T102 C103 K107 Q108 V116Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.29Å; T102-K105 PolarHBondContact O-N 2.84Å; C103-K105 VanDerWaalsContact C-N 3.32Å; C103-K105 PolarHBondContact O-N 3.4Å; K105-K107 PolarHBondContact O-N 2.75Å; K105-Q108 WeakPolarHBondContact O-CB 3.16Å; K105-Q108 PolarHBondContact O-N 2.71Å; K105-V116 HydrophobicContact CB-CG1 3.86Å; K105-V116 HydrophobicContact CB-CG2 4.21Å; K105-V116 HydrophobicContact CD-CG1 4.1Å
106L61.8Low62.7Low33 Ų3384.4 Ų84.417%0.17342%0.418CS..Hα-helixtrans-65.5-21.7177.3-67.3171.2000113.2T102 C103 Q108 D113 V116 L117 F140T102-L106 HydrophobicContact CG2-CD1 4Å; T102-L106 HydrophobicContact CG2-CG 4.42Å; T102-L106 VanDerWaalsContact O-CG 3.25Å; T102-L106 WeakPolarHBondContact O-CG 3.18Å; T102-L106 PolarHBondContact O-N 2.92Å; C103-L106 PolarHBondContact O-N 2.87Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-D113 VanDerWaalsContact CD2-CA 3.47Å; L106-D113 HydrophobicContact CD2-CB 3.83Å; L106-D113 VanDerWaalsContact CD2-OD1 3.28Å; L106-D113 WeakPolarHBondContact CD2-OD1 3.35Å; L106-V116 HydrophobicContact CD2-CB 4.07Å; L106-V116 HydrophobicContact CD2-CG1 4.45Å; L106-V116 HydrophobicContact CG-CG1 4.46Å; L106-L117 HydrophobicContact CD1-CD2 3.9Å; L106-L117 HydrophobicContact CD1-CG 4.23Å; L106-L117 HydrophobicContact CD2-CG 4.09Å; L106-F140 HydrophobicContact CD1-CE1 3.91Å; L106-F140 HydrophobicContact CD1-CZ 3.54Å
107K67Low62.6Low153 Ų15384.1 Ų84.167%0.66542%0.416SS*.THydrogen-bonded Turntrans-77.2-12.8172-70.5170.2-172.2166.20113.1C103 D104 K105C103-K107 WeakPolarHBondContact O-CG 3.39Å; C103-K107 PolarHBondContact O-N 3.03Å; D104-K107 PolarHBondContact O-N 2.86Å; D104-K107 IonicContact OD1-NZ 3.4Å; D104-K107 PolarHBondContact OD1-NZ 3.46Å; K105-K107 PolarHBondContact O-N 2.75Å
108Q68.1Low62.4Low100 Ų10082.5 Ų82.547%0.46741%0.413SS..SBendtrans-79.9128-177.6-62.5-179.15.600109.7D104 K105 L106 N110 E111D104-Q108 WeakPolarHBondContact O-CG 3.21Å; K105-Q108 WeakPolarHBondContact O-CB 3.16Å; K105-Q108 PolarHBondContact O-N 2.71Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; Q108-N110 PolarHBondContact O-N 2.8Å; Q108-E111 HydrophobicContact CB-CB 4.49Å; Q108-E111 HydrophobicContact CB-CG 4.37Å; Q108-E111 PolarHBondContact O-N 3.47Å
109P59.7Low62.4Low126 Ų12683.6 Ų83.682%0.81842%0.417SS*.THydrogen-bonded Turntrans-65.2-9.9-170.623.4-33.1000115.1
110N64.6Low62.3Low152 Ų15283.8 Ų83.881%0.81342%0.416SS*.THydrogen-bonded Turntrans-117.6-1.2-171.7-60.7-16000113.7Q108Q108-N110 PolarHBondContact O-N 2.8Å
111E58.2Low61.8Low69 Ų6979.3 Ų79.332%0.32240%0.401SS..SBendtrans-93126.9178.1-82.5-75-174.200109.9Q108 D113 V116Q108-E111 HydrophobicContact CB-CB 4.49Å; Q108-E111 HydrophobicContact CB-CG 4.37Å; Q108-E111 PolarHBondContact O-N 3.47Å; E111-D113 PolarHBondContact O-N 2.91Å; E111-D113 VanDerWaalsContact O-N 3.09Å; E111-V116 HydrophobicContact CB-CG2 4.34Å
112P61.6Low61.4Low73 Ų7381.3 Ų81.347%0.47441%0.411SS..  trans-66.6113.2175-14.827.8000109.6T114 Y115 V116P112-T114 PolarHBondContact O-N 3.23Å; P112-Y115 PolarHBondContact O-N 3.37Å; P112-V116 PolarHBondContact O-N 3.35Å
113D61.1Low61.1Low88 Ų8885.3 Ų85.347%0.47143%0.43SS..Hα-helixtrans-46.6-37.7179.2-70.2-29.5000112.7L106 E111 Y115 L117L106-D113 VanDerWaalsContact CD2-CA 3.47Å; L106-D113 HydrophobicContact CD2-CB 3.83Å; L106-D113 VanDerWaalsContact CD2-OD1 3.28Å; L106-D113 WeakPolarHBondContact CD2-OD1 3.35Å; E111-D113 PolarHBondContact O-N 2.91Å; E111-D113 VanDerWaalsContact O-N 3.09Å; D113-Y115 PolarHBondContact O-N 2.98Å; D113-L117 HydrophobicContact CB-CD1 4.46Å; D113-L117 WeakPolarHBondContact O-CB 3.48Å; D113-L117 WeakPolarHBondContact O-CD1 3.26Å; D113-L117 WeakPolarHBondContact O-CG 3.44Å; D113-L117 PolarHBondContact O-N 3.46Å
114T61.3Low60.7Low84 Ų8486.3 Ų86.352%0.51543%0.431SS..Hα-helixtrans-64.6-37.9-179.451.90000113.4P112 S118P112-T114 PolarHBondContact O-N 3.23Å; T114-S118 WeakPolarHBondContact O-CB 3.28Å; T114-S118 PolarHBondContact O-N 3.43Å; T114-S118 PolarHBondContact O-OG 3.4Å
115Y64.1Low60.1Low155 Ų15589.9 Ų89.961%0.60844%0.438SS*.Hα-helixtrans-71.7-48.2-179178.9-101.7000111P112 D113 L117 S118 Y119P112-Y115 PolarHBondContact O-N 3.37Å; D113-Y115 PolarHBondContact O-N 2.98Å; Y115-L117 PolarHBondContact O-N 3.48Å; Y115-S118 PolarHBondContact O-N 2.94Å; Y115-Y119 WeakPolarHBondContact O-CB 3.41Å; Y115-Y119 PolarHBondContact O-N 2.86Å
116V59.8Low59.1Low9 Ų987.9 Ų87.96%0.05543%0.432CS..Hα-helixtrans-62.8-44.6179.6-172.10000110.6T102 K105 L106 E111 P112 Y119 W120T102-V116 HydrophobicContact CG2-CG1 3.81Å; K105-V116 HydrophobicContact CB-CG1 3.86Å; K105-V116 HydrophobicContact CB-CG2 4.21Å; K105-V116 HydrophobicContact CD-CG1 4.1Å; L106-V116 HydrophobicContact CD2-CB 4.07Å; L106-V116 HydrophobicContact CD2-CG1 4.45Å; L106-V116 HydrophobicContact CG-CG1 4.46Å; E111-V116 HydrophobicContact CB-CG2 4.34Å; P112-V116 PolarHBondContact O-N 3.35Å; V116-Y119 PolarHBondContact O-N 2.96Å; V116-W120 WeakPolarHBondContact O-CB 3.37Å; V116-W120 PolarHBondContact O-N 3.45Å
117L56.7Low58Low49 Ų4991.2 Ų91.226%0.25745%0.45SS..Hα-helixtrans-63.2-42.9175.4-73169.7000111.8L106 D113 Y115 W120 M121 F140L106-L117 HydrophobicContact CD1-CD2 3.9Å; L106-L117 HydrophobicContact CD1-CG 4.23Å; L106-L117 HydrophobicContact CD2-CG 4.09Å; D113-L117 HydrophobicContact CB-CD1 4.46Å; D113-L117 WeakPolarHBondContact O-CB 3.48Å; D113-L117 WeakPolarHBondContact O-CD1 3.26Å; D113-L117 WeakPolarHBondContact O-CG 3.44Å; D113-L117 PolarHBondContact O-N 3.46Å; Y115-L117 PolarHBondContact O-N 3.48Å; L117-W120 PolarHBondContact O-N 3.44Å; L117-M121 WeakPolarHBondContact O-CB 3.19Å; L117-M121 WeakPolarHBondContact O-CG 3.36Å; L117-M121 PolarHBondContact O-N 3.18Å; L117-F140 HydrophobicContact CD2-CD2 4.37Å; L117-F140 HydrophobicContact CD2-CE1 4.32Å; L117-F140 HydrophobicContact CD2-CE2 3.95Å; L117-F140 HydrophobicContact CD2-CZ 3.92Å
118S58Low56.6Low58 Ų5886.6 Ų86.641%0.40643%0.431SS..Hα-helixtrans-63.9-43.2179.5-63.50000111.8T114 Y115 M121 Q122T114-S118 WeakPolarHBondContact O-CB 3.28Å; T114-S118 PolarHBondContact O-N 3.43Å; T114-S118 PolarHBondContact O-OG 3.4Å; Y115-S118 PolarHBondContact O-N 2.94Å; S118-M121 PolarHBondContact O-N 3.07Å; S118-Q122 VanDerWaalsContact O-CG 3.31Å; S118-Q122 WeakPolarHBondContact O-CG 3.48Å; S118-Q122 PolarHBondContact O-N 2.83Å
119Y60Low55.1Low123 Ų12388.6 Ų88.648%0.48244%0.444SS..Hα-helixtrans-63.9-44.5176.1-176.3-98.5000111.8Y115 V116 M121 Q122 M123Y115-Y119 WeakPolarHBondContact O-CB 3.41Å; Y115-Y119 PolarHBondContact O-N 2.86Å; V116-Y119 PolarHBondContact O-N 2.96Å; Y119-M121 VanDerWaalsContact C-N 3.34Å; Y119-M121 PolarHBondContact O-N 2.96Å; Y119-Q122 PolarHBondContact O-N 3.48Å; Y119-M123 HydrophobicContact CD1-CG 4.15Å; Y119-M123 HydrophobicContact CE1-CG 3.75Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.25Å
120W58Low53.7Low34 Ų3490 Ų9013%0.12945%0.445CS..Hα-helixtrans-60.5-43.9175.1-178.890.1000111.9N99 T102 V116 L117 Q122 M123 R124 I126N99-W120 WeakPolarHBondContact OD1-CZ2 3.25Å; N99-W120 PolarHBondContact OD1-NE1 2.86Å; T102-W120 HydrophobicContact CG2-CB 4.18Å; T102-W120 HydrophobicContact CG2-CG 4.23Å; T102-W120 VanDerWaalsContact OG1-CD1 3.26Å; V116-W120 WeakPolarHBondContact O-CB 3.37Å; V116-W120 PolarHBondContact O-N 3.45Å; L117-W120 PolarHBondContact O-N 3.44Å; W120-Q122 VanDerWaalsContact C-N 3.34Å; W120-Q122 PolarHBondContact O-N 3.39Å; W120-M123 PolarHBondContact O-N 3.2Å; W120-R124 HydrophobicContact CD2-CG 3.93Å; W120-R124 HydrophobicContact CE3-CG 4.17Å; W120-R124 HydrophobicContact CH2-CG 4.05Å; W120-R124 HydrophobicContact CZ2-CG 3.8Å; W120-R124 HydrophobicContact CZ3-CG 4.23Å; W120-R124 WeakPolarHBondContact O-CB 3.12Å; W120-R124 VanDerWaalsContact O-CG 3.22Å; W120-R124 WeakPolarHBondContact O-CG 3.21Å; W120-R124 PolarHBondContact O-N 3.08Å; W120-I126 HydrophobicContact CE3-CD1 4.41Å; W120-I126 HydrophobicContact CH2-CD1 3.78Å; W120-I126 HydrophobicContact CZ3-CD1 3.53Å
121M55Low52.1Low43 Ų4387.2 Ų87.221%0.21243%0.426CS..Hα-helixtrans-61.3-41.5176.3-75175.96100112L117 S118 Y119 R124 R125 I126 I128 L136L117-M121 WeakPolarHBondContact O-CB 3.19Å; L117-M121 WeakPolarHBondContact O-CG 3.36Å; L117-M121 PolarHBondContact O-N 3.18Å; S118-M121 PolarHBondContact O-N 3.07Å; Y119-M121 VanDerWaalsContact C-N 3.34Å; Y119-M121 PolarHBondContact O-N 2.96Å; M121-R124 PolarHBondContact O-N 3.15Å; M121-R125 PolarHBondContact O-N 2.95Å; M121-R125 VanDerWaalsContact O-N 3.13Å; M121-I126 HydrophobicContact CE-CG2 4.35Å; M121-I126 PolarHBondContact O-N 3.16Å; M121-I128 HydrophobicContact CE-CB 4.08Å; M121-I128 HydrophobicContact CE-CD1 3.8Å; M121-I128 HydrophobicContact CE-CG1 4.29Å; M121-L136 HydrophobicContact CE-CD2 4.22Å; M121-L136 HydrophobicContact SD-CD2 4.06Å
122Q56.8Low51Low143 Ų14389 Ų8967%0.66844%0.437SS*.Hα-helixtrans-62.9-47.3175-75.8176.2100111.7S118 Y119 W120 R124 R125S118-Q122 VanDerWaalsContact O-CG 3.31Å; S118-Q122 WeakPolarHBondContact O-CG 3.48Å; S118-Q122 PolarHBondContact O-N 2.83Å; Y119-Q122 PolarHBondContact O-N 3.48Å; W120-Q122 VanDerWaalsContact C-N 3.34Å; W120-Q122 PolarHBondContact O-N 3.39Å; Q122-R124 PolarHBondContact O-N 2.91Å; Q122-R125 PolarHBondContact O-N 3Å
123M55.7Low50Low97 Ų9794.1 Ų94.148%0.47845%0.447SS..Hα-helixtrans-61.6-34177.6-75.6-63.9-6800112.4Y119 W120 R125Y119-M123 HydrophobicContact CD1-CG 4.15Å; Y119-M123 HydrophobicContact CE1-CG 3.75Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.25Å; W120-M123 PolarHBondContact O-N 3.2Å; M123-R125 VanDerWaalsContact C-N 3.26Å; M123-R125 PolarHBondContact O-N 2.62Å
124R53.3Low48.8Very low40 Ų4095.5 Ų95.515%0.15145%0.454CS..THydrogen-bonded Turntrans-79.1-5.4174.2-70.7-74.3-175-124.6-16.6114.5T95 N99 W120 M121 Q122 I126T95-R124 VanDerWaalsContact CB-NH1 3.34Å; T95-R124 VanDerWaalsContact CB-NH2 3.31Å; T95-R124 PolarHBondContact O-NH2 2.94Å; T95-R124 PolarHBondContact OG1-NH1 2.89Å; N99-R124 PolarHBondContact OD1-NH2 3.5Å; W120-R124 HydrophobicContact CD2-CG 3.93Å; W120-R124 HydrophobicContact CE3-CG 4.17Å; W120-R124 HydrophobicContact CH2-CG 4.05Å; W120-R124 HydrophobicContact CZ2-CG 3.8Å; W120-R124 HydrophobicContact CZ3-CG 4.23Å; W120-R124 WeakPolarHBondContact O-CB 3.12Å; W120-R124 VanDerWaalsContact O-CG 3.22Å; W120-R124 WeakPolarHBondContact O-CG 3.21Å; W120-R124 PolarHBondContact O-N 3.08Å; M121-R124 PolarHBondContact O-N 3.15Å; Q122-R124 PolarHBondContact O-N 2.91Å; R124-I126 HydrophobicContact CB-CB 4.33Å; R124-I126 HydrophobicContact CB-CD1 3.51Å; R124-I126 HydrophobicContact CB-CG1 3.62Å; R124-I126 HydrophobicContact CG-CD1 4.03Å; R124-I126 PolarHBondContact O-N 3.47Å; R124-I126 VanDerWaalsContact O-N 3.14Å
125R55.5Low47.6Very low157 Ų15797.4 Ų97.459%0.59246%0.456SS*.THydrogen-bonded Turntrans50.431.8-169.4-59.3-177.2175.4-172.1-1.4112.4M121 Q122 M123 N127M121-R125 PolarHBondContact O-N 2.95Å; M121-R125 VanDerWaalsContact O-N 3.13Å; Q122-R125 PolarHBondContact O-N 3Å; M123-R125 VanDerWaalsContact C-N 3.26Å; M123-R125 PolarHBondContact O-N 2.62Å; R125-N127 PolarHBondContact O-N 2.79Å
126I44.9Very low46.5Very low60 Ų6092.2 Ų92.231%0.30844%0.438SS..  trans-75.293.9177.1-72166000107.8W120 M121 R124 I128W120-I126 HydrophobicContact CE3-CD1 4.41Å; W120-I126 HydrophobicContact CH2-CD1 3.78Å; W120-I126 HydrophobicContact CZ3-CD1 3.53Å; M121-I126 HydrophobicContact CE-CG2 4.35Å; M121-I126 PolarHBondContact O-N 3.16Å; R124-I126 HydrophobicContact CB-CB 4.33Å; R124-I126 HydrophobicContact CB-CD1 3.51Å; R124-I126 HydrophobicContact CB-CG1 3.62Å; R124-I126 HydrophobicContact CG-CD1 4.03Å; R124-I126 PolarHBondContact O-N 3.47Å; R124-I126 VanDerWaalsContact O-N 3.14Å; I126-I128 HydrophobicContact CG2-CD1 3.45Å; I126-I128 VanDerWaalsContact CG2-CD1 3.45Å; I126-I128 HydrophobicContact CG2-CG1 3.53Å; I126-I128 PolarHBondContact O-N 3.09Å
127N38.9Very low45.9Very low103 Ų10395.3 Ų95.355%0.55145%0.454SS*.  trans-79.792172.4-75-50000109.7R125 I129R125-N127 PolarHBondContact O-N 2.79Å; N127-I129 PolarHBondContact O-N 2.99Å
128I37.1Very low45.2Very low55 Ų55101.4 Ų101.428%0.28248%0.475SS..  trans-94.385.7172.6-74.2171.3000108.4M121 I126 F131 L136M121-I128 HydrophobicContact CE-CB 4.08Å; M121-I128 HydrophobicContact CE-CD1 3.8Å; M121-I128 HydrophobicContact CE-CG1 4.29Å; I126-I128 HydrophobicContact CG2-CD1 3.45Å; I126-I128 VanDerWaalsContact CG2-CD1 3.45Å; I126-I128 HydrophobicContact CG2-CG1 3.53Å; I126-I128 PolarHBondContact O-N 3.09Å; I128-F131 HydrophobicContact CB-CB 4.21Å; I128-F131 HydrophobicContact CD1-CB 4.27Å; I128-F131 HydrophobicContact CG1-CB 3.97Å; I128-F131 HydrophobicContact CG2-CB 3.33Å; I128-L136 HydrophobicContact CD1-CD1 3.29Å; I128-L136 HydrophobicContact CD1-CD2 3.48Å; I128-L136 VanDerWaalsContact CD1-CD2 3.48Å; I128-L136 HydrophobicContact CD1-CG 3.92Å
129I36.3Very low44.6Very low142 Ų142105.1 Ų105.173%0.72848%0.48SS*.SBendtrans-89-18.8173.1-65.3175.9000110.6N127N127-I129 PolarHBondContact O-N 2.99Å
130N30.6Very low44Very low157 Ų157101.4 Ų101.484%0.8447%0.466SS*.SBendtrans-144.725.8-172.4-75-38000115.2
131F30.9Very low43.6Very low93 Ų93104 Ų10441%0.40848%0.482SS..  trans-104.2125.4-174.6-138.7-113.9000110.8I128 R133 F135 L136I128-F131 HydrophobicContact CB-CB 4.21Å; I128-F131 HydrophobicContact CD1-CB 4.27Å; I128-F131 HydrophobicContact CG1-CB 3.97Å; I128-F131 HydrophobicContact CG2-CB 3.33Å; F131-R133 PolarHBondContact O-N 3.06Å; F131-R133 VanDerWaalsContact O-N 3.09Å; F131-F135 HydrophobicContact CD1-CD1 4.41Å; F131-F135 HydrophobicContact CE1-CB 4.38Å; F131-F135 AromaticContact CE1-CD1 3.46Å; F131-F135 HydrophobicContact CE1-CD1 3.46Å; F131-F135 VanDerWaalsContact CE1-CD1 3.46Å; F131-F135 HydrophobicContact CE1-CE1 4.19Å; F131-F135 HydrophobicContact CE1-CG 4.33Å; F131-F135 AromaticContact CZ-CD1 3.68Å; F131-F135 HydrophobicContact CZ-CD1 3.68Å; F131-F135 HydrophobicContact CZ-CE1 4.01Å; F131-L136 HydrophobicContact CD1-CB 4.31Å
132N36Very low43.3Very low106 Ų106104.5 Ų104.557%0.56749%0.49SS*.  trans-53.4117.1177.2-175.2-24.6000109.2N134 F135 L136N132-N134 PolarHBondContact O-N 3.27Å; N132-N134 VanDerWaalsContact O-N 3.08Å; N132-N134 WeakPolarHBondContact OD1-CB 3.3Å; N132-N134 PolarHBondContact OD1-N 3.26Å; N132-N134 VanDerWaalsContact OD1-N 3.07Å; N132-F135 HydrophobicContact CB-CB 4.1Å; N132-F135 WeakPolarHBondContact O-CA 3.17Å; N132-F135 WeakPolarHBondContact O-CB 3.33Å; N132-F135 PolarHBondContact O-N 2.98Å; N132-L136 PolarHBondContact O-N 3.14Å
133R39.6Very low42.9Very low181 Ų181102 Ų10268%0.68348%0.478SS*.Hα-helixtrans-50.1-36.8-178.6-175.9179.5177-169.3-1.3111.7F131 L136 I137F131-R133 PolarHBondContact O-N 3.06Å; F131-R133 VanDerWaalsContact O-N 3.09Å; R133-L136 PolarHBondContact O-N 2.84Å; R133-I137 HydrophobicContact CG-CD1 4.05Å; R133-I137 VanDerWaalsContact O-CG1 3.28Å; R133-I137 WeakPolarHBondContact O-CG1 3.3Å; R133-I137 PolarHBondContact O-N 2.96Å
134N36.9Very low42.6Very low117 Ų11799.7 Ų99.763%0.62647%0.467SS*.Hα-helixtrans-69-37178-65.3-17.1000112.2N132 L136 I137 Y138N132-N134 PolarHBondContact O-N 3.27Å; N132-N134 VanDerWaalsContact O-N 3.08Å; N132-N134 WeakPolarHBondContact OD1-CB 3.3Å; N132-N134 PolarHBondContact OD1-N 3.26Å; N132-N134 VanDerWaalsContact OD1-N 3.07Å; N134-L136 VanDerWaalsContact C-N 3.34Å; N134-I137 PolarHBondContact O-N 3.44Å; N134-Y138 WeakPolarHBondContact O-CB 3.42Å; N134-Y138 PolarHBondContact O-N 3.34Å
135F36.4Very low42.4Very low124 Ų124101.7 Ų101.754%0.54448%0.484SS..Hα-helixtrans-71.3-33176.5-156.9-85.1000111.6F131 N132 R139F131-F135 HydrophobicContact CD1-CD1 4.41Å; F131-F135 HydrophobicContact CE1-CB 4.38Å; F131-F135 AromaticContact CE1-CD1 3.46Å; F131-F135 HydrophobicContact CE1-CD1 3.46Å; F131-F135 VanDerWaalsContact CE1-CD1 3.46Å; F131-F135 HydrophobicContact CE1-CE1 4.19Å; F131-F135 HydrophobicContact CE1-CG 4.33Å; F131-F135 AromaticContact CZ-CD1 3.68Å; F131-F135 HydrophobicContact CZ-CD1 3.68Å; F131-F135 HydrophobicContact CZ-CE1 4.01Å; N132-F135 HydrophobicContact CB-CB 4.1Å; N132-F135 WeakPolarHBondContact O-CA 3.17Å; N132-F135 WeakPolarHBondContact O-CB 3.33Å; N132-F135 PolarHBondContact O-N 2.98Å; F135-R139 VanDerWaalsContact O-CB 3.3Å; F135-R139 WeakPolarHBondContact O-CB 3.34Å; F135-R139 PolarHBondContact O-N 3.35Å
136L39.6Very low42.2Very low45 Ų4598.8 Ų98.824%0.23648%0.48CS..Hα-helixtrans-66.1-47171.8-174.164.9000111.5M121 I128 F131 N132 R133 N134 Y138 R139 F140M121-L136 HydrophobicContact CE-CD2 4.22Å; M121-L136 HydrophobicContact SD-CD2 4.06Å; I128-L136 HydrophobicContact CD1-CD1 3.29Å; I128-L136 HydrophobicContact CD1-CD2 3.48Å; I128-L136 VanDerWaalsContact CD1-CD2 3.48Å; I128-L136 HydrophobicContact CD1-CG 3.92Å; F131-L136 HydrophobicContact CD1-CB 4.31Å; N132-L136 PolarHBondContact O-N 3.14Å; R133-L136 PolarHBondContact O-N 2.84Å; N134-L136 VanDerWaalsContact C-N 3.34Å; L136-Y138 VanDerWaalsContact C-N 3.32Å; L136-Y138 PolarHBondContact O-N 2.95Å; L136-R139 PolarHBondContact O-N 3.49Å; L136-F140 VanDerWaalsContact O-CB 3.22Å; L136-F140 WeakPolarHBondContact O-CB 3.43Å; L136-F140 PolarHBondContact O-N 2.81Å
137I46.7Very low42.3Very low75 Ų7598.4 Ų98.439%0.38548%0.48SS..Hα-helixtrans-60.2-44.7175.4-69.1165.5000109.9R133 N134 R139 F140 L141R133-I137 HydrophobicContact CG-CD1 4.05Å; R133-I137 VanDerWaalsContact O-CG1 3.28Å; R133-I137 WeakPolarHBondContact O-CG1 3.3Å; R133-I137 PolarHBondContact O-N 2.96Å; N134-I137 PolarHBondContact O-N 3.44Å; I137-R139 PolarHBondContact O-N 2.99Å; I137-F140 PolarHBondContact O-N 3.36Å; I137-L141 HydrophobicContact CG2-CD1 3.77Å; I137-L141 HydrophobicContact CG2-CG 4.24Å; I137-L141 WeakPolarHBondContact O-CB 3.36Å; I137-L141 VanDerWaalsContact O-CG 3.26Å; I137-L141 WeakPolarHBondContact O-CG 3.37Å; I137-L141 PolarHBondContact O-N 2.87Å
138Y43.6Very low42.6Very low177 Ų17798.7 Ų98.769%0.69449%0.486SS*.Hα-helixtrans-64.5-41.9179.5-155.4-86.4000112.3N134 L136 L141 S142N134-Y138 WeakPolarHBondContact O-CB 3.42Å; N134-Y138 PolarHBondContact O-N 3.34Å; L136-Y138 VanDerWaalsContact C-N 3.32Å; L136-Y138 PolarHBondContact O-N 2.95Å; Y138-L141 PolarHBondContact O-N 3.42Å; Y138-S142 WeakPolarHBondContact O-CB 3.38Å; Y138-S142 PolarHBondContact O-N 2.83Å
139R43.9Very low43.1Very low136 Ų136100.3 Ų100.351%0.51350%0.502SS..Hα-helixtrans-68-38.6175.4-172.9172178.8156.81.8111.9F135 L136 I137 S142 E143F135-R139 VanDerWaalsContact O-CB 3.3Å; F135-R139 WeakPolarHBondContact O-CB 3.34Å; F135-R139 PolarHBondContact O-N 3.35Å; L136-R139 PolarHBondContact O-N 3.49Å; I137-R139 PolarHBondContact O-N 2.99Å; R139-S142 PolarHBondContact O-N 3.09Å; R139-E143 IonicContact NE-OE1 3.62Å; R139-E143 IonicContact NH2-OE1 3.98Å; R139-E143 WeakPolarHBondContact O-CB 3.22Å; R139-E143 PolarHBondContact O-N 2.81Å
140F49Very low43.4Very low44 Ų44102.5 Ų102.519%0.19352%0.515CS..Hα-helixtrans-61.6-49.8174.2178.6-100.9000110.9L106 L117 L136 I137 S142 E143 L144L106-F140 HydrophobicContact CD1-CE1 3.91Å; L106-F140 HydrophobicContact CD1-CZ 3.54Å; L117-F140 HydrophobicContact CD2-CD2 4.37Å; L117-F140 HydrophobicContact CD2-CE1 4.32Å; L117-F140 HydrophobicContact CD2-CE2 3.95Å; L117-F140 HydrophobicContact CD2-CZ 3.92Å; L136-F140 VanDerWaalsContact O-CB 3.22Å; L136-F140 WeakPolarHBondContact O-CB 3.43Å; L136-F140 PolarHBondContact O-N 2.81Å; I137-F140 PolarHBondContact O-N 3.36Å; F140-S142 VanDerWaalsContact C-N 3.35Å; F140-S142 PolarHBondContact O-N 3.47Å; F140-E143 PolarHBondContact O-N 3.39Å; F140-L144 HydrophobicContact CD1-CD1 4.08Å; F140-L144 HydrophobicContact CD2-CD1 4.36Å; F140-L144 HydrophobicContact CE1-CD1 3.49Å; F140-L144 VanDerWaalsContact CE1-CD1 3.49Å; F140-L144 HydrophobicContact CE2-CD1 3.81Å; F140-L144 HydrophobicContact CG-CD1 4.49Å; F140-L144 HydrophobicContact CZ-CD1 3.33Å; F140-L144 WeakPolarHBondContact O-CB 3.22Å; F140-L144 PolarHBondContact O-N 3.5Å
141L49.4Very low44Very low88 Ų8899.8 Ų99.846%0.46150%0.499SS..Hα-helixtrans-62.2-41.3176.1-70.4172.7000111.5I137 Y138 L144 V145I137-L141 HydrophobicContact CG2-CD1 3.77Å; I137-L141 HydrophobicContact CG2-CG 4.24Å; I137-L141 WeakPolarHBondContact O-CB 3.36Å; I137-L141 VanDerWaalsContact O-CG 3.26Å; I137-L141 WeakPolarHBondContact O-CG 3.37Å; I137-L141 PolarHBondContact O-N 2.87Å; Y138-L141 PolarHBondContact O-N 3.42Å; L141-L144 WeakPolarHBondContact O-CB 3.26Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-V145 WeakPolarHBondContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.18Å; L141-V145 PolarHBondContact O-N 3.48Å
142S47.9Very low44.7Very low54 Ų54100.1 Ų100.138%0.37850%0.504SS..Hα-helixtrans-65.2-42.11771790000112.5Y138 R139 F140 N146Y138-S142 WeakPolarHBondContact O-CB 3.38Å; Y138-S142 PolarHBondContact O-N 2.83Å; R139-S142 PolarHBondContact O-N 3.09Å; F140-S142 VanDerWaalsContact C-N 3.35Å; F140-S142 PolarHBondContact O-N 3.47Å; S142-N146 WeakPolarHBondContact O-CB 3.45Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 3.48Å; S142-N146 PolarHBondContact O-ND2 2.91Å
143E48.5Very low45.2Very low91 Ų9199.8 Ų99.843%0.42550%0.5SS..Hα-helixtrans-70.5-35.7174.3-74-162.7-160.500112.1R139 F140 N146 V147R139-E143 IonicContact NE-OE1 3.62Å; R139-E143 IonicContact NH2-OE1 3.98Å; R139-E143 WeakPolarHBondContact O-CB 3.22Å; R139-E143 PolarHBondContact O-N 2.81Å; F140-E143 PolarHBondContact O-N 3.39Å; E143-N146 PolarHBondContact O-N 3.37Å; E143-V147 VanDerWaalsContact O-CG2 3.26Å; E143-V147 WeakPolarHBondContact O-CG2 3.41Å; E143-V147 PolarHBondContact O-N 3.43Å; E143-V147 VanDerWaalsContact O-N 3.08Å
144L49.7Very low45.5Very low48 Ų4895 Ų9525%0.25149%0.489SS..Hα-helixtrans-58.7-51.1171.6-129.491.5000111C103 F140 L141 N146 V147 V148C103-L144 WeakPolarHBondContact SG-CD1 3.28Å; F140-L144 HydrophobicContact CD1-CD1 4.08Å; F140-L144 HydrophobicContact CD2-CD1 4.36Å; F140-L144 HydrophobicContact CE1-CD1 3.49Å; F140-L144 VanDerWaalsContact CE1-CD1 3.49Å; F140-L144 HydrophobicContact CE2-CD1 3.81Å; F140-L144 HydrophobicContact CG-CD1 4.49Å; F140-L144 HydrophobicContact CZ-CD1 3.33Å; F140-L144 WeakPolarHBondContact O-CB 3.22Å; F140-L144 PolarHBondContact O-N 3.5Å; L141-L144 WeakPolarHBondContact O-CB 3.26Å; L141-L144 PolarHBondContact O-N 3.29Å; L144-N146 VanDerWaalsContact C-N 3.35Å; L144-N146 PolarHBondContact O-N 2.81Å; L144-V147 PolarHBondContact O-N 2.93Å; L144-V147 VanDerWaalsContact O-N 3.15Å; L144-V148 VanDerWaalsContact O-CG2 3.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.33Å; L144-V148 PolarHBondContact O-N 3.02Å
145V49.5Very low46.1Very low83 Ų8393.6 Ų93.650%0.50348%0.481SS..Hα-helixtrans-61.1-45.7-179.7168.20000109.4L141 V147 V148 S149L141-V145 WeakPolarHBondContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.18Å; L141-V145 PolarHBondContact O-N 3.48Å; V145-V147 PolarHBondContact O-N 3.36Å; V145-V148 PolarHBondContact O-N 2.86Å; V145-V148 VanDerWaalsContact O-N 3.14Å; V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 3.07Å; V145-S149 PolarHBondContact O-OG 2.86Å
146N50.6Low46.7Very low95 Ų9591.6 Ų91.651%0.50848%0.477SS..Hα-helixtrans-61.1-29.3176.8-77.6-20.4000114.2S142 E143 L144 N150S142-N146 WeakPolarHBondContact O-CB 3.45Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 3.48Å; S142-N146 PolarHBondContact O-ND2 2.91Å; E143-N146 PolarHBondContact O-N 3.37Å; L144-N146 VanDerWaalsContact C-N 3.35Å; L144-N146 PolarHBondContact O-N 2.81Å; N146-N150 PolarHBondContact O-ND2 3.08Å
147V48.3Very low47.2Very low52 Ų5294.9 Ų94.932%0.31549%0.494SS..Hα-helixtrans-82.8-26.9177.7169.80000112.5L96 E143 L144 V145L96-V147 HydrophobicContact CD1-CG1 3.72Å; L96-V147 HydrophobicContact CD1-CG2 4.4Å; E143-V147 VanDerWaalsContact O-CG2 3.26Å; E143-V147 WeakPolarHBondContact O-CG2 3.41Å; E143-V147 PolarHBondContact O-N 3.43Å; E143-V147 VanDerWaalsContact O-N 3.08Å; L144-V147 PolarHBondContact O-N 2.93Å; L144-V147 VanDerWaalsContact O-N 3.15Å; V145-V147 PolarHBondContact O-N 3.36Å
148V43.9Very low47.3Very low110 Ų11096.5 Ų96.567%0.66750%0.502SS*.Hα-helixtrans-93.6-26.3-179.6177.80000111.8L144 V145L144-V148 VanDerWaalsContact O-CG2 3.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.33Å; L144-V148 PolarHBondContact O-N 3.02Å; V145-V148 PolarHBondContact O-N 2.86Å; V145-V148 VanDerWaalsContact O-N 3.14Å
149S47.3Very low47.6Very low89 Ų8989.8 Ų89.862%0.62249%0.486SS*.  trans-90-1.5-179.5-57.20000114.4V145V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 3.07Å; V145-S149 PolarHBondContact O-OG 2.86Å
150N42.9Very low47.9Very low187 Ų18785.5 Ų85.5100%148%0.484SS*.  trans-117.90167.3-70.2-58.5000109.7N146N146-N150 PolarHBondContact O-ND2 3.08Å

Retrieved 150 of 150 residues in 94.7 ms (Link to these results)

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