A0A087X4F6_POEFO Loading...

Tafazzin family protein

AlphaFold DB , UniProt , Accession A0A087X4F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 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
1M57.6Low83.7Confident160 Ų16094.7 Ų94.779%0.78846%0.461SS*.  0134.80-73.7-163.1-78.500108.1C122 D125M1-C122 PolarHBondContact O-SG 3.47Å; M1-D125 PolarHBondContact N-OD1 3.1Å; M1-D125 PolarHBondContact N-OD2 3.41Å
2P73.3Confident83.4Confident122 Ų12296.2 Ų96.279%0.79249%0.485SS*.  trans-61.8152.9175.828.4-33.6000110.5E4P2-E4 PolarHBondContact O-N 2.64Å
3L80.2Confident83.3Confident46 Ų4691 Ų9124%0.24146%0.463CS..  trans-61.7136.5171.3-65.9172.7000109.5V5 W7 S100 P120L3-V5 WeakPolarHBondContact CB-O 3.43Å; L3-V5 PolarHBondContact O-N 3.21Å; L3-W7 HydrophobicContact CD1-CE3 3.76Å; L3-W7 HydrophobicContact CD1-CZ3 4.25Å; L3-S100 VanDerWaalsContact CD2-CB 3.43Å; L3-P120 HydrophobicContact CD1-CB 4.3Å; L3-P120 HydrophobicContact CD1-CG 3.99Å; L3-P120 HydrophobicContact CD2-CB 3.73Å; L3-P120 HydrophobicContact CD2-CG 4.34Å
4E81.6Confident83.9Confident151 Ų15189 Ų8971%0.70647%0.467SS*.SBendtrans-70.6-16.5175.8-63.3-174.2165.100112.8P2P2-E4 PolarHBondContact O-N 2.64Å
5V87.4Confident84.4Confident14 Ų1492.1 Ų92.19%0.08548%0.483CS..SBendtrans-119.9163-178.9-63.70000111.1L3 F104 E107L3-V5 WeakPolarHBondContact CB-O 3.43Å; L3-V5 PolarHBondContact O-N 3.21Å; V5-F104 VanDerWaalsContact CG1-O 3.3Å; V5-F104 WeakPolarHBondContact CG1-O 3.44Å; V5-F104 HydrophobicContact CG2-CB 3.81Å; V5-F104 HydrophobicContact CG2-CD1 4.28Å; V5-F104 WeakPolarHBondContact CG2-O 3.49Å; V5-E107 HydrophobicContact CG1-CG 4.49Å
6R90.3Very high85Confident205 Ų20591.2 Ų91.277%0.77449%0.493SS*.  trans-62.4146.7171.8-66.3-178.2179.8-173.50.6110.7P8 E107R6-P8 WeakPolarHBondContact O-CD 3.5Å; R6-P8 VanDerWaalsContact O-N 3.12Å; R6-E107 PolarHBondContact N-OE1 3.04Å
7W94.7Very high85.6Confident60 Ų6088.4 Ų88.423%0.22747%0.473CS..  trans-56.8118.9173.8179.1-101.8000109.9L3 F9 V119 P120 K130 F134L3-W7 HydrophobicContact CD1-CE3 3.76Å; L3-W7 HydrophobicContact CD1-CZ3 4.25Å; W7-F9 AromaticContact CE2-CD2 3.78Å; W7-F9 HydrophobicContact CH2-CD2 4.15Å; W7-F9 HydrophobicContact CH2-CE2 4.48Å; W7-F9 AromaticContact CZ2-CD2 3.58Å; W7-F9 HydrophobicContact CZ2-CD2 3.58Å; W7-F9 HydrophobicContact CZ2-CE2 4.31Å; W7-F9 PolarHBondContact O-N 3.34Å; W7-V119 HydrophobicContact CH2-CG1 4.2Å; W7-P120 HydrophobicContact CE3-CG 4.04Å; W7-P120 HydrophobicContact CH2-CG 4.44Å; W7-P120 HydrophobicContact CZ3-CG 3.67Å; W7-K130 HydrophobicContact CD2-CD 3.83Å; W7-K130 VanDerWaalsContact CD2-CE 3.42Å; W7-K130 HydrophobicContact CD2-CG 4.38Å; W7-K130 HydrophobicContact CE3-CD 3.68Å; W7-K130 HydrophobicContact CE3-CG 4.09Å; W7-K130 HydrophobicContact CG-CD 4.37Å; W7-K130 HydrophobicContact CH2-CD 4.39Å; W7-K130 HydrophobicContact CH2-CG 3.91Å; W7-K130 HydrophobicContact CZ2-CG 4.21Å; W7-K130 HydrophobicContact CZ3-CB 4.25Å; W7-K130 HydrophobicContact CZ3-CD 3.96Å; W7-K130 HydrophobicContact CZ3-CG 3.84Å; W7-F134 HydrophobicContact CH2-CB 3.98Å; W7-F134 HydrophobicContact CH2-CG 4.33Å; W7-F134 HydrophobicContact CZ2-CB 3.82Å; W7-F134 AromaticContact CZ2-CD2 3.83Å; W7-F134 HydrophobicContact CZ2-CD2 3.83Å; W7-F134 HydrophobicContact CZ2-CE2 4.5Å; W7-F134 AromaticContact CZ2-CG 3.84Å; W7-F134 HydrophobicContact CZ2-CG 3.84Å
8P92.8Very high86.1Confident21 Ų2190 Ų9014%0.13647%0.472CS..  trans-85.7-8.4-162.432.1-36.8000114.2R6 F104 S110 P120R6-P8 WeakPolarHBondContact O-CD 3.5Å; R6-P8 VanDerWaalsContact O-N 3.12Å; P8-F104 HydrophobicContact CG-CD1 4.36Å; P8-F104 HydrophobicContact CG-CE1 3.88Å; P8-S110 WeakPolarHBondContact CB-OG 3.4Å; P8-P120 HydrophobicContact CG-CG 4.41Å
9F94.1Very high86.6Confident14 Ų1489.8 Ų89.86%0.06148%0.475CS..  trans-95.2124.4-176-58.9-64.6000112W7 W95 C118 V119 F134W7-F9 AromaticContact CE2-CD2 3.78Å; W7-F9 HydrophobicContact CH2-CD2 4.15Å; W7-F9 HydrophobicContact CH2-CE2 4.48Å; W7-F9 AromaticContact CZ2-CD2 3.58Å; W7-F9 HydrophobicContact CZ2-CD2 3.58Å; W7-F9 HydrophobicContact CZ2-CE2 4.31Å; W7-F9 PolarHBondContact O-N 3.34Å; F9-W95 HydrophobicContact CD1-CH2 4.45Å; F9-W95 AromaticContact CD1-CZ3 3.98Å; F9-W95 HydrophobicContact CD1-CZ3 3.98Å; F9-W95 HydrophobicContact CE1-CE3 4.38Å; F9-W95 HydrophobicContact CE1-CH2 4.33Å; F9-W95 AromaticContact CE1-CZ3 3.49Å; F9-W95 HydrophobicContact CE1-CZ3 3.49Å; F9-W95 VanDerWaalsContact CE1-CZ3 3.49Å; F9-W95 HydrophobicContact CZ-CE3 4.42Å; F9-W95 AromaticContact CZ-CZ3 3.94Å; F9-W95 HydrophobicContact CZ-CZ3 3.94Å; F9-C118 WeakPolarHBondContact CZ-O 3.19Å; F9-V119 HydrophobicContact CE2-CB 4.17Å; F9-V119 HydrophobicContact CE2-CG1 4.03Å; F9-V119 HydrophobicContact CE2-CG2 3.96Å; F9-V119 HydrophobicContact CZ-CB 4.41Å; F9-V119 HydrophobicContact CZ-CG2 3.92Å; F9-F134 HydrophobicContact CB-CE2 3.83Å; F9-F134 HydrophobicContact CB-CZ 3.93Å; F9-F134 HydrophobicContact CD1-CZ 4.04Å; F9-F134 HydrophobicContact CD2-CD1 4.37Å; F9-F134 AromaticContact CD2-CE1 3.97Å; F9-F134 HydrophobicContact CD2-CE1 3.97Å; F9-F134 HydrophobicContact CD2-CE2 4.11Å; F9-F134 AromaticContact CD2-CZ 3.8Å; F9-F134 HydrophobicContact CD2-CZ 3.8Å; F9-F134 HydrophobicContact CE2-CD1 4.37Å; F9-F134 HydrophobicContact CE2-CE1 4Å; F9-F134 HydrophobicContact CE2-CZ 4.26Å; F9-F134 HydrophobicContact CG-CE1 4.21Å; F9-F134 AromaticContact CG-CE2 3.99Å; F9-F134 HydrophobicContact CG-CE2 3.99Å; F9-F134 AromaticContact CG-CZ 3.63Å; F9-F134 HydrophobicContact CG-CZ 3.63Å; F9-F134 HydrophobicContact CZ-CE1 4.3Å
10P87.6Confident87.1Confident52 Ų5286.9 Ų86.934%0.33846%0.462SS..  trans-68.5148.9170.430.6-34.8000110C12 P13 W17P10-C12 VanDerWaalsContact C-N 3.3Å; P10-C12 PolarHBondContact O-N 2.93Å; P10-P13 HydrophobicContact CG-CB 3.97Å; P10-W17 HydrophobicContact CG-CD2 4.32Å; P10-W17 HydrophobicContact CG-CG 4.34Å
11Q81.2Confident87.6Confident197 Ų19782.8 Ų82.892%0.92144%0.44SS*.SBendtrans-59.1-43.6174.8-68176.6-4.800111.3
12C80.4Confident89.5Confident112 Ų11276.3 Ų76.376%0.75741%0.41SS*.SBendtrans-124.2101.1174.8-71.70000109.6P10 A14P10-C12 VanDerWaalsContact C-N 3.3Å; P10-C12 PolarHBondContact O-N 2.93Å; C12-A14 PolarHBondContact O-N 3.38Å
13P82.4Confident90.6Very high29 Ų2975.9 Ų75.919%0.18840%0.396CS..  trans-67.2111.5-179.623-30.3000110.7P10 W17 R18P10-P13 HydrophobicContact CG-CB 3.97Å; P13-W17 HydrophobicContact CB-CB 4.12Å; P13-W17 HydrophobicContact CB-CG 4Å; P13-R18 HydrophobicContact CB-CG 4.47Å; P13-R18 PolarHBondContact O-NE 2.86Å
14A90.7Very high91.5Very high63 Ų6375.2 Ų75.252%0.52139%0.393SS..  trans-58163.2173.500000111.7C12 A16 W17 R18C12-A14 PolarHBondContact O-N 3.38Å; A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 3.25Å; A14-W17 WeakPolarHBondContact O-CB 3.44Å; A14-W17 PolarHBondContact O-N 2.76Å; A14-R18 PolarHBondContact O-N 3.36Å
15L92.3Very high92.2Very high136 Ų13668.4 Ų68.471%0.71236%0.361SS*.Hα-helixtrans-54.2-43.5179-178.561.4000112W17 R18 V19L15-W17 VanDerWaalsContact C-N 3.27Å; L15-W17 PolarHBondContact O-N 2.71Å; L15-R18 PolarHBondContact O-N 3.31Å; L15-R18 VanDerWaalsContact O-N 3.1Å; L15-V19 HydrophobicContact CD1-CG2 4.2Å; L15-V19 HydrophobicContact CG-CG2 4.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.81Å
16A93.6Very high92.7Very high77 Ų7767.7 Ų67.764%0.63636%0.357SS*.Hα-helixtrans-57.3-37.9176.700000112.8A14 S20A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 3.25Å; A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.43Å; A16-S20 PolarHBondContact O-OG 3.27Å; A16-S20 VanDerWaalsContact O-OG 3.09Å
17W94.5Very high93.1Very high44 Ų4462.6 Ų62.617%0.16734%0.343CS..Hα-helixtrans-64.6-47.1175.4-174.4-93.5000111.1P10 P13 A14 L15 V19 S20 S21 S114 R115P10-W17 HydrophobicContact CG-CD2 4.32Å; P10-W17 HydrophobicContact CG-CG 4.34Å; P13-W17 HydrophobicContact CB-CB 4.12Å; P13-W17 HydrophobicContact CB-CG 4Å; A14-W17 WeakPolarHBondContact O-CB 3.44Å; A14-W17 PolarHBondContact O-N 2.76Å; L15-W17 VanDerWaalsContact C-N 3.27Å; L15-W17 PolarHBondContact O-N 2.71Å; W17-V19 PolarHBondContact O-N 3.35Å; W17-S20 PolarHBondContact O-N 3.19Å; W17-S20 PolarHBondContact O-OG 3.14Å; W17-S21 WeakPolarHBondContact O-CB 3.16Å; W17-S21 PolarHBondContact O-N 3.26Å; W17-S114 WeakPolarHBondContact CH2-OG 3.41Å; W17-R115 HydrophobicContact CH2-CG 4.25Å; W17-R115 HydrophobicContact CZ2-CG 4.32Å
18R95Very high93.2Very high117 Ų11762 Ų6244%0.44235%0.345SS..Hα-helixtrans-64.2-39.7-180-60179.8-171.8-171.8-3.7112.1P13 A14 L15 S22 Y90P13-R18 HydrophobicContact CB-CG 4.47Å; P13-R18 PolarHBondContact O-NE 2.86Å; A14-R18 PolarHBondContact O-N 3.36Å; L15-R18 PolarHBondContact O-N 3.31Å; L15-R18 VanDerWaalsContact O-N 3.1Å; R18-S22 WeakPolarHBondContact O-CB 3.35Å; R18-S22 PolarHBondContact O-N 2.72Å; R18-S22 PolarHBondContact O-OG 2.99Å; R18-Y90 HydrophobicContact CB-CD2 4.14Å; R18-Y90 HydrophobicContact CB-CE2 4.21Å; R18-Y90 HydrophobicContact CB-CG 4.3Å; R18-Y90 HydrophobicContact CG-CD1 4.4Å; R18-Y90 HydrophobicContact CG-CE1 4.04Å; R18-Y90 HydrophobicContact CG-CE2 4.18Å
19V96.5Very high93.5Very high87 Ų8761.1 Ų61.153%0.52734%0.341SS..Hα-helixtrans-65.3-51.6175.9172.50000110.5L15 W17 S21 S22 F23L15-V19 HydrophobicContact CD1-CG2 4.2Å; L15-V19 HydrophobicContact CG-CG2 4.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.81Å; W17-V19 PolarHBondContact O-N 3.35Å; V19-S21 VanDerWaalsContact C-N 3.28Å; V19-S21 PolarHBondContact O-N 2.9Å; V19-S22 PolarHBondContact O-N 3.25Å; V19-S22 VanDerWaalsContact O-N 3.16Å; V19-F23 PolarHBondContact O-N 2.92Å
20S96.7Very high93.7Very high31 Ų3162 Ų6222%0.21735%0.347CS..Hα-helixtrans-62.1-35.8178.5680000112.7A16 W17 F23 I24 R115A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.43Å; A16-S20 PolarHBondContact O-OG 3.27Å; A16-S20 VanDerWaalsContact O-OG 3.09Å; W17-S20 PolarHBondContact O-N 3.19Å; W17-S20 PolarHBondContact O-OG 3.14Å; S20-F23 PolarHBondContact O-N 2.93Å; S20-I24 WeakPolarHBondContact O-CG1 3.42Å; S20-I24 PolarHBondContact O-N 3.29Å; S20-R115 PolarHBondContact OG-NE 2.72Å; S20-R115 VanDerWaalsContact OG-NE 3.1Å
21S96.6Very high94.1Very high1 Ų164 Ų641%0.00735%0.348CS..Hα-helixtrans-65.4-45.7173.71770000111.8W17 V19 F23 I24 M25 Y90 R115W17-S21 WeakPolarHBondContact O-CB 3.16Å; W17-S21 PolarHBondContact O-N 3.26Å; V19-S21 VanDerWaalsContact C-N 3.28Å; V19-S21 PolarHBondContact O-N 2.9Å; S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.4Å; S21-I24 PolarHBondContact O-N 2.91Å; S21-M25 WeakPolarHBondContact O-CB 3.47Å; S21-M25 WeakPolarHBondContact O-CE 3.17Å; S21-M25 WeakPolarHBondContact O-CG 3.49Å; S21-M25 PolarHBondContact O-N 3.39Å; S21-M25 WeakPolarHBondContact OG-CE 3.41Å; S21-Y90 WeakPolarHBondContact OG-CE2 3.45Å; S21-R115 WeakPolarHBondContact CA-O 3.25Å; S21-R115 WeakPolarHBondContact CB-O 3.27Å; S21-R115 PolarHBondContact OG-O 2.67Å
22S97.2Very high94.9Very high23 Ų2354.6 Ų54.616%0.16131%0.305CS..Hα-helixtrans-60-39175.7-540000111.8R18 V19 G26 Y90R18-S22 WeakPolarHBondContact O-CB 3.35Å; R18-S22 PolarHBondContact O-N 2.72Å; R18-S22 PolarHBondContact O-OG 2.99Å; V19-S22 PolarHBondContact O-N 3.25Å; V19-S22 VanDerWaalsContact O-N 3.16Å; S22-G26 WeakPolarHBondContact O-CA 3.37Å; S22-G26 PolarHBondContact O-N 3.05Å; S22-Y90 WeakPolarHBondContact OG-CB 3.31Å
23F97.9Very high95.7Very high113 Ų11350.8 Ų50.850%0.49628%0.275SS..Hα-helixtrans-64.9-50.5176.6-178.9-99.9000112.1V19 S20 S21 M25 G26 M27 W88V19-F23 PolarHBondContact O-N 2.92Å; S20-F23 PolarHBondContact O-N 2.93Å; S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.4Å; F23-M25 PolarHBondContact O-N 3.06Å; F23-G26 PolarHBondContact O-N 3.5Å; F23-M27 HydrophobicContact CD1-CG 4.32Å; F23-M27 HydrophobicContact CD2-CG 4.35Å; F23-M27 HydrophobicContact CE1-CG 3.97Å; F23-M27 HydrophobicContact CE2-CG 3.99Å; F23-M27 HydrophobicContact CE2-SD 4.26Å; F23-M27 HydrophobicContact CZ-CG 3.8Å; F23-M27 HydrophobicContact CZ-SD 4.22Å; F23-M27 WeakPolarHBondContact O-CB 3.33Å; F23-M27 VanDerWaalsContact O-CG 3.27Å; F23-M27 WeakPolarHBondContact O-CG 3.23Å; F23-M27 PolarHBondContact O-N 3.12Å; F23-W88 HydrophobicContact CD2-CH2 4.38Å; F23-W88 HydrophobicContact CD2-CZ3 4.07Å
24I97.8Very high96.4Very high33 Ų3353.2 Ų53.217%0.16929%0.286CS..Hα-helixtrans-61.1-47.7178.6-67.6-63.6000111.2S20 S21 G26 M27 V28 F112 R115S20-I24 WeakPolarHBondContact O-CG1 3.42Å; S20-I24 PolarHBondContact O-N 3.29Å; S21-I24 PolarHBondContact O-N 2.91Å; I24-G26 PolarHBondContact O-N 3.11Å; I24-M27 PolarHBondContact O-N 2.87Å; I24-V28 WeakPolarHBondContact O-CG2 3.4Å; I24-V28 PolarHBondContact O-N 3.5Å; I24-F112 HydrophobicContact CD1-CD2 4.23Å; I24-F112 HydrophobicContact CD1-CE2 4.36Å; I24-F112 HydrophobicContact CG2-CD2 4.15Å; I24-F112 HydrophobicContact CG2-CE2 3.93Å; I24-R115 HydrophobicContact CB-CB 3.99Å; I24-R115 HydrophobicContact CG1-CB 3.86Å; I24-R115 HydrophobicContact CG2-CB 4.19Å
25M97.4Very high96.7Very high7 Ų752.4 Ų52.43%0.03427%0.269CS..Hα-helixtrans-62.8-42.5177.1-68.7-174.8-60.600112S21 F23 G29 Y90 M93 K117S21-M25 WeakPolarHBondContact O-CB 3.47Å; S21-M25 WeakPolarHBondContact O-CE 3.17Å; S21-M25 WeakPolarHBondContact O-CG 3.49Å; S21-M25 PolarHBondContact O-N 3.39Å; S21-M25 WeakPolarHBondContact OG-CE 3.41Å; F23-M25 PolarHBondContact O-N 3.06Å; M25-G29 WeakPolarHBondContact O-CA 3.4Å; M25-G29 PolarHBondContact O-N 2.85Å; M25-Y90 HydrophobicContact CE-CD2 4.04Å; M25-M93 HydrophobicContact CE-CB 3.97Å; M25-M93 HydrophobicContact CE-CG 4.34Å; M25-M93 HydrophobicContact SD-CB 3.49Å; M25-M93 WeakPolarHBondContact SD-CB 3.29Å; M25-M93 HydrophobicContact SD-CG 4.04Å; M25-K117 HydrophobicContact CE-CD 4.38Å; M25-K117 HydrophobicContact SD-CB 4.41Å; M25-K117 HydrophobicContact SD-CD 3.83Å; M25-K117 HydrophobicContact SD-CG 3.81Å
26G97.8Very high96.9Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-62.4-43.8177.800000112.5S22 F23 I24 T30 L87S22-G26 WeakPolarHBondContact O-CA 3.37Å; S22-G26 PolarHBondContact O-N 3.05Å; F23-G26 PolarHBondContact O-N 3.5Å; I24-G26 PolarHBondContact O-N 3.11Å; G26-T30 VanDerWaalsContact O-CB 3.23Å; G26-T30 WeakPolarHBondContact O-CB 3.29Å; G26-T30 PolarHBondContact O-N 3.4Å; G26-T30 PolarHBondContact O-OG1 3.23Å; G26-L87 PolarHBondContact N-O 2.86Å
27M98.2Very high97Very high98 Ų9847.4 Ų47.448%0.48323%0.228SC..Hα-helixtrans-65.3-52.7177.4-73.1-62.8-63.300112F23 I24 G29 T30 Y31 W88F23-M27 HydrophobicContact CD1-CG 4.32Å; F23-M27 HydrophobicContact CD2-CG 4.35Å; F23-M27 HydrophobicContact CE1-CG 3.97Å; F23-M27 HydrophobicContact CE2-CG 3.99Å; F23-M27 HydrophobicContact CE2-SD 4.26Å; F23-M27 HydrophobicContact CZ-CG 3.8Å; F23-M27 HydrophobicContact CZ-SD 4.22Å; F23-M27 WeakPolarHBondContact O-CB 3.33Å; F23-M27 VanDerWaalsContact O-CG 3.27Å; F23-M27 WeakPolarHBondContact O-CG 3.23Å; F23-M27 PolarHBondContact O-N 3.12Å; I24-M27 PolarHBondContact O-N 2.87Å; M27-G29 VanDerWaalsContact C-N 3.32Å; M27-G29 PolarHBondContact O-N 2.9Å; M27-T30 PolarHBondContact O-N 3.21Å; M27-Y31 WeakPolarHBondContact O-CB 3.36Å; M27-Y31 PolarHBondContact O-N 2.62Å; M27-W88 HydrophobicContact CG-CH2 4.2Å; M27-W88 HydrophobicContact SD-CH2 3.95Å; M27-W88 HydrophobicContact SD-CZ2 4.26Å
28V97.6Very high97Very high46 Ų4652.5 Ų52.528%0.27925%0.248SC..Hα-helixtrans-63-41.5178.9174.60000110.8I24 Y31 S32 P76 F112I24-V28 WeakPolarHBondContact O-CG2 3.4Å; I24-V28 PolarHBondContact O-N 3.5Å; V28-Y31 PolarHBondContact O-N 3.25Å; V28-S32 VanDerWaalsContact O-CB 3.32Å; V28-S32 WeakPolarHBondContact O-CB 3.43Å; V28-S32 PolarHBondContact O-N 2.91Å; V28-P76 HydrophobicContact CG1-CB 3.88Å; V28-F112 HydrophobicContact CG2-CE2 4.28Å; V28-F112 HydrophobicContact CG2-CZ 3.86Å
29G97.5Very high97.1Very high4 Ų451.1 Ų51.14%0.04125%0.248CC..Hα-helixtrans-63.4-42.2176.100000113M25 M27 S32 F33 L87M25-G29 WeakPolarHBondContact O-CA 3.4Å; M25-G29 PolarHBondContact O-N 2.85Å; M27-G29 VanDerWaalsContact C-N 3.32Å; M27-G29 PolarHBondContact O-N 2.9Å; G29-S32 WeakPolarHBondContact O-CB 3.46Å; G29-S32 PolarHBondContact O-N 3.39Å; G29-F33 WeakPolarHBondContact O-CB 3.49Å; G29-F33 PolarHBondContact O-N 3.2Å; G29-L87 WeakPolarHBondContact O-CD1 3.42Å
30T98.1Very high97.1Very high31 Ų3147 Ų4719%0.1922%0.222CC..Hα-helixtrans-68.1-42.3177.5-57.70000111G26 M27 S32 F33 I34 L84 W88G26-T30 VanDerWaalsContact O-CB 3.23Å; G26-T30 WeakPolarHBondContact O-CB 3.29Å; G26-T30 PolarHBondContact O-N 3.4Å; G26-T30 PolarHBondContact O-OG1 3.23Å; M27-T30 PolarHBondContact O-N 3.21Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.1Å; T30-F33 PolarHBondContact O-N 2.98Å; T30-I34 HydrophobicContact CG2-CD1 3.98Å; T30-I34 WeakPolarHBondContact O-CG1 3.26Å; T30-I34 PolarHBondContact O-N 3.23Å; T30-L84 HydrophobicContact CG2-CD2 4.18Å; T30-W88 PolarHBondContact OG1-NE1 3.19Å
31Y97.5Very high97.1Very high94 Ų9452.6 Ų52.637%0.36924%0.24SC..Hα-helixtrans-54.3-51.5170.6161.3-95.9000110.5M27 V28 F33 I34 W35 M73 H77M27-Y31 WeakPolarHBondContact O-CB 3.36Å; M27-Y31 PolarHBondContact O-N 2.62Å; V28-Y31 PolarHBondContact O-N 3.25Å; Y31-F33 PolarHBondContact O-N 3.06Å; Y31-I34 PolarHBondContact O-N 3.27Å; Y31-W35 HydrophobicContact CE1-CB 4.44Å; Y31-W35 HydrophobicContact CE2-CB 4.3Å; Y31-W35 HydrophobicContact CE2-CD2 4.37Å; Y31-W35 HydrophobicContact CE2-CE3 4.21Å; Y31-W35 HydrophobicContact CE2-CG 4.42Å; Y31-W35 VanDerWaalsContact O-CB 3.22Å; Y31-W35 WeakPolarHBondContact O-CB 3.33Å; Y31-W35 PolarHBondContact O-N 3.24Å; Y31-M73 HydrophobicContact CE1-CE 3.91Å; Y31-H77 AromaticContact CE1-NE2 3.56Å
32S96.9Very high97.1Very high0 Ų054.2 Ų54.20%025%0.248CC..Hα-helixtrans-59.6-46.6179.4168.10000112.7V28 G29 T30 I34 W35 T36 P76 H77 G80V28-S32 VanDerWaalsContact O-CB 3.32Å; V28-S32 WeakPolarHBondContact O-CB 3.43Å; V28-S32 PolarHBondContact O-N 2.91Å; G29-S32 WeakPolarHBondContact O-CB 3.46Å; G29-S32 PolarHBondContact O-N 3.39Å; T30-S32 VanDerWaalsContact C-N 3.32Å; T30-S32 PolarHBondContact O-N 3.1Å; S32-I34 VanDerWaalsContact C-N 3.32Å; S32-I34 PolarHBondContact O-N 3.28Å; S32-W35 PolarHBondContact O-N 3.1Å; S32-T36 WeakPolarHBondContact O-CB 2.85Å; S32-T36 WeakPolarHBondContact O-CG2 3.38Å; S32-T36 PolarHBondContact O-N 3.41Å; S32-T36 PolarHBondContact O-OG1 2.95Å; S32-P76 WeakPolarHBondContact CB-O 3.3Å; S32-P76 PolarHBondContact OG-O 3.46Å; S32-H77 VanDerWaalsContact OG-CA 3.24Å; S32-H77 WeakPolarHBondContact OG-CA 3.34Å; S32-H77 PolarHBondContact OG-O 3.04Å; S32-G80 WeakPolarHBondContact OG-CA 3.41Å; S32-G80 PolarHBondContact OG-N 2.86Å; S32-G80 VanDerWaalsContact OG-N 3.15Å
33F96.9Very high97.1Very high33 Ų3355.7 Ų55.715%0.14526%0.257CS..Hα-helixtrans-56-47.3175.2175.6-91.2000111.1G29 T30 Y31 K37 Y38 G80 L84 L87G29-F33 WeakPolarHBondContact O-CB 3.49Å; G29-F33 PolarHBondContact O-N 3.2Å; T30-F33 PolarHBondContact O-N 2.98Å; Y31-F33 PolarHBondContact O-N 3.06Å; F33-K37 HydrophobicContact CE1-CD 4.31Å; F33-K37 HydrophobicContact CE2-CD 3.95Å; F33-K37 HydrophobicContact CZ-CD 3.74Å; F33-K37 WeakPolarHBondContact O-CB 3.4Å; F33-K37 PolarHBondContact O-N 3.43Å; F33-K37 VanDerWaalsContact O-N 3.12Å; F33-Y38 HydrophobicContact CD1-CE2 4.34Å; F33-Y38 AromaticContact CE1-CE2 3.81Å; F33-Y38 HydrophobicContact CE1-CE2 3.81Å; F33-G80 WeakPolarHBondContact CD2-O 3.34Å; F33-L84 HydrophobicContact CD1-CD2 4.25Å; F33-L84 HydrophobicContact CG-CD2 4.31Å; F33-L87 HydrophobicContact CB-CD1 4.21Å
34I97.4Very high97.1Very high80 Ų8051.9 Ų51.941%0.4124%0.242SC..Hα-helixtrans-67.3-46.7179.9-67169.1000110.9T30 Y31 S32 Y38 M39T30-I34 HydrophobicContact CG2-CD1 3.98Å; T30-I34 WeakPolarHBondContact O-CG1 3.26Å; T30-I34 PolarHBondContact O-N 3.23Å; Y31-I34 PolarHBondContact O-N 3.27Å; S32-I34 VanDerWaalsContact C-N 3.32Å; S32-I34 PolarHBondContact O-N 3.28Å; I34-Y38 HydrophobicContact CB-CD2 4.41Å; I34-Y38 HydrophobicContact CG1-CD2 4.48Å; I34-Y38 HydrophobicContact CG2-CD2 4.25Å; I34-Y38 WeakPolarHBondContact O-CB 3.4Å; I34-Y38 PolarHBondContact O-N 3.17Å; I34-M39 PolarHBondContact O-N 2.85Å
35W97.2Very high97.1Very high45 Ų4552.7 Ų52.717%0.1725%0.245CC..Hα-helixtrans-65.5-43-174.8-170.2-100.8000112.7Y31 S32 M39 N40 H77 P199Y31-W35 HydrophobicContact CE1-CB 4.44Å; Y31-W35 HydrophobicContact CE2-CB 4.3Å; Y31-W35 HydrophobicContact CE2-CD2 4.37Å; Y31-W35 HydrophobicContact CE2-CE3 4.21Å; Y31-W35 HydrophobicContact CE2-CG 4.42Å; Y31-W35 VanDerWaalsContact O-CB 3.22Å; Y31-W35 WeakPolarHBondContact O-CB 3.33Å; Y31-W35 PolarHBondContact O-N 3.24Å; S32-W35 PolarHBondContact O-N 3.1Å; W35-M39 HydrophobicContact CD2-CB 4.13Å; W35-M39 HydrophobicContact CD2-CG 4.38Å; W35-M39 HydrophobicContact CE3-CB 3.9Å; W35-M39 HydrophobicContact CE3-CG 3.71Å; W35-M39 HydrophobicContact CZ3-CB 4.19Å; W35-M39 HydrophobicContact CZ3-CE 4.24Å; W35-M39 HydrophobicContact CZ3-CG 4.01Å; W35-M39 CarbonylContact O-C 3.17Å; W35-M39 WeakPolarHBondContact O-CB 3.29Å; W35-M39 PolarHBondContact O-N 3.39Å; W35-N40 PolarHBondContact NE1-ND2 3.46Å; W35-N40 PolarHBondContact O-N 3.35Å; W35-N40 PolarHBondContact O-ND2 2.97Å; W35-N40 VanDerWaalsContact O-ND2 3.08Å; W35-H77 AromaticContact CD1-CE1 3.48Å; W35-H77 VanDerWaalsContact CD1-CE1 3.48Å; W35-H77 AromaticContact CD1-NE2 3.34Å; W35-H77 VanDerWaalsContact CD1-NE2 3.34Å; W35-H77 AromaticContact NE1-CE1 3.81Å; W35-P199 HydrophobicContact CH2-CB 4.32Å; W35-P199 HydrophobicContact CZ2-CB 3.6Å
36T96.5Very high97.2Very high1 Ų156 Ų561%0.00626%0.263CS..Hα-helixtrans-78.5-33.8-178.956.40000112.6S32 N40 L42 H77 I205S32-T36 WeakPolarHBondContact O-CB 2.85Å; S32-T36 WeakPolarHBondContact O-CG2 3.38Å; S32-T36 PolarHBondContact O-N 3.41Å; S32-T36 PolarHBondContact O-OG1 2.95Å; T36-N40 CarbonylContact O-C 3.51Å; T36-L42 WeakPolarHBondContact O-CB 3.3Å; T36-L42 PolarHBondContact O-N 3.07Å; T36-L42 VanDerWaalsContact O-N 3.17Å; T36-H77 HydrophobicContact CG2-CB 3.74Å; T36-I205 HydrophobicContact CG2-CD1 3.86Å
37K94.9Very high97.1Very high108 Ų10859.2 Ų59.247%0.4728%0.278SS..Hα-helixtrans-91.2-35.4-174.3-168.5174.9-178.9177.30114.7F33 N40F33-K37 HydrophobicContact CE1-CD 4.31Å; F33-K37 HydrophobicContact CE2-CD 3.95Å; F33-K37 HydrophobicContact CZ-CD 3.74Å; F33-K37 WeakPolarHBondContact O-CB 3.4Å; F33-K37 PolarHBondContact O-N 3.43Å; F33-K37 VanDerWaalsContact O-N 3.12Å; K37-N40 CarbonylContact C-O 3.57Å; K37-N40 VanDerWaalsContact C-O 3.22Å
38Y95.6Very high97.1Very high151 Ų15160 Ų6059%0.59228%0.281SS*.THydrogen-bonded Turntrans-112.1-35.7-174.1-59-70.4000113.3F33 I34F33-Y38 HydrophobicContact CD1-CE2 4.34Å; F33-Y38 AromaticContact CE1-CE2 3.81Å; F33-Y38 HydrophobicContact CE1-CE2 3.81Å; I34-Y38 HydrophobicContact CB-CD2 4.41Å; I34-Y38 HydrophobicContact CG1-CD2 4.48Å; I34-Y38 HydrophobicContact CG2-CD2 4.25Å; I34-Y38 WeakPolarHBondContact O-CB 3.4Å; I34-Y38 PolarHBondContact O-N 3.17Å
39M96.9Very high97.2Very high88 Ų8859.6 Ų59.643%0.43328%0.278SS..SBendtrans-86.3-19.5176.2-55.2-62.1-65.500112I34 W35 A201 G202I34-M39 PolarHBondContact O-N 2.85Å; W35-M39 HydrophobicContact CD2-CB 4.13Å; W35-M39 HydrophobicContact CD2-CG 4.38Å; W35-M39 HydrophobicContact CE3-CB 3.9Å; W35-M39 HydrophobicContact CE3-CG 3.71Å; W35-M39 HydrophobicContact CZ3-CB 4.19Å; W35-M39 HydrophobicContact CZ3-CE 4.24Å; W35-M39 HydrophobicContact CZ3-CG 4.01Å; W35-M39 CarbonylContact O-C 3.17Å; W35-M39 WeakPolarHBondContact O-CB 3.29Å; W35-M39 PolarHBondContact O-N 3.39Å; M39-A201 HydrophobicContact CB-CB 4.43Å; M39-A201 HydrophobicContact CE-CB 4.41Å; M39-A201 CarbonylContact O-C 3.58Å; M39-A201 WeakPolarHBondContact O-CA 3.36Å; M39-A201 WeakPolarHBondContact O-CB 3.39Å; M39-G202 PolarHBondContact O-N 3.03Å
40N96.7Very high97.2Very high0 Ų059.4 Ų59.40%028%0.276CS..SBendtrans-133.8174.2174.6-69.2-77.8000108.6W35 T36 K37 R200 G202 N203 I205W35-N40 PolarHBondContact NE1-ND2 3.46Å; W35-N40 PolarHBondContact O-N 3.35Å; W35-N40 PolarHBondContact O-ND2 2.97Å; W35-N40 VanDerWaalsContact O-ND2 3.08Å; T36-N40 CarbonylContact O-C 3.51Å; K37-N40 CarbonylContact C-O 3.57Å; K37-N40 VanDerWaalsContact C-O 3.22Å; N40-R200 PolarHBondContact OD1-O 3.15Å; N40-G202 PolarHBondContact OD1-N 3.44Å; N40-N203 WeakPolarHBondContact CA-O 3.35Å; N40-N203 WeakPolarHBondContact CB-O 3.44Å; N40-N203 WeakPolarHBondContact OD1-CB 3.21Å; N40-N203 PolarHBondContact OD1-N 2.89Å; N40-N203 PolarHBondContact OD1-O 3.09Å; N40-I205 HydrophobicContact CB-CD1 3.81Å; N40-I205 HydrophobicContact CB-CG1 4.41Å
41Y96.1Very high97.2Very high149 Ų14958.8 Ų58.858%0.58427%0.271SS*.EExtended strand (participates in β ladder)trans-108.883.3-174.3-54.8-74.4000110.8G202 N203 R204 I205Y41-G202 WeakPolarHBondContact CE2-O 3.12Å; Y41-N203 PolarHBondContact N-O 3.39Å; Y41-R204 HydrophobicContact CD2-CG 4.39Å; Y41-I205 PolarHBondContact O-N 3.1Å
42L97.1Very high97.3Very high35 Ų3558.7 Ų58.718%0.18328%0.278CS..EExtended strand (participates in β ladder)trans-77.2120.5176.6177.565.3000112.2T36 V44 V81 I205 V207T36-L42 WeakPolarHBondContact O-CB 3.3Å; T36-L42 PolarHBondContact O-N 3.07Å; T36-L42 VanDerWaalsContact O-N 3.17Å; L42-V44 HydrophobicContact CD1-CG2 3.98Å; L42-V44 HydrophobicContact CD2-CG2 4.07Å; L42-V44 HydrophobicContact CG-CG2 3.8Å; L42-V81 HydrophobicContact CD1-CG1 4.42Å; L42-V81 HydrophobicContact CD2-CG1 4.09Å; L42-I205 CarbonylContact C-O 3.51Å; L42-I205 WeakPolarHBondContact CA-O 3.43Å; L42-I205 HydrophobicContact CD1-CB 4Å; L42-I205 HydrophobicContact CD1-CG2 3.73Å; L42-V207 HydrophobicContact CD1-CG2 3.85Å
43T97.6Very high97.3Very high54 Ų5459.8 Ų59.833%0.33128%0.283SS..EExtended strand (participates in β ladder)trans-113.7126.9168.3-57.70000109.3I205 T206 V207 I258T43-I205 PolarHBondContact N-O 3.16Å; T43-T206 CarbonylContact O-C 3.58Å; T43-T206 WeakPolarHBondContact O-CA 3.26Å; T43-V207 PolarHBondContact O-N 2.84Å; T43-I258 HydrophobicContact CG2-CD1 4.08Å
44V98Very high97.4Very high33 Ų3358.5 Ų58.520%0.228%0.278CS..EExtended strand (participates in β ladder)trans-119.1127.3-179.2-165.40000109.8L42 Q47 V81 V207 V209L42-V44 HydrophobicContact CD1-CG2 3.98Å; L42-V44 HydrophobicContact CD2-CG2 4.07Å; L42-V44 HydrophobicContact CG-CG2 3.8Å; V44-Q47 HydrophobicContact CB-CB 4.15Å; V44-Q47 HydrophobicContact CB-CG 4.38Å; V44-Q47 HydrophobicContact CG1-CB 3.68Å; V44-Q47 HydrophobicContact CG1-CG 3.92Å; V44-V81 HydrophobicContact CG1-CG1 4.16Å; V44-V81 HydrophobicContact CG2-CB 4.18Å; V44-V81 HydrophobicContact CG2-CG1 3.59Å; V44-V207 CarbonylContact C-O 3.28Å; V44-V207 WeakPolarHBondContact CA-O 3.36Å; V44-V207 HydrophobicContact CG1-CB 4.27Å; V44-V207 HydrophobicContact CG1-CG1 4.41Å; V44-V209 HydrophobicContact CG1-CG2 4.29Å
45H98.3Very high97.3Very high50 Ų5056.1 Ų56.123%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-102.5136175.3-62-92.8000110.1Q47 V207 L208 V209 L254H45-Q47 VanDerWaalsContact C-N 3.28Å; H45-Q47 PolarHBondContact O-N 3Å; H45-V207 PolarHBondContact N-O 2.87Å; H45-L208 HydrophobicContact CB-CD1 3.59Å; H45-V209 WeakPolarHBondContact O-CB 3.22Å; H45-V209 PolarHBondContact O-N 2.67Å; H45-L254 HydrophobicContact CB-CD1 4.29Å
46N97.9Very high97.3Very high76 Ų7660.2 Ų60.241%0.40629%0.287SS..SBendtrans56.934.9-177.8-46.2-31.3000114.4E48 V49 V209N46-E48 VanDerWaalsContact CA-OE1 3.28Å; N46-E48 WeakPolarHBondContact CA-OE1 3.47Å; N46-E48 WeakPolarHBondContact CA-OE2 3.48Å; N46-E48 PolarHBondContact O-N 3.41Å; N46-V49 HydrophobicContact CB-CG2 4.32Å; N46-V49 WeakPolarHBondContact O-CB 3.38Å; N46-V49 PolarHBondContact O-N 3.36Å; N46-V209 HydrophobicContact CB-CB 4.26Å; N46-V209 WeakPolarHBondContact CB-O 3.33Å; N46-V209 PolarHBondContact ND2-O 2.9Å; N46-V209 WeakPolarHBondContact O-CB 3.29Å
47Q97.4Very high97.4Very high67 Ų6762.2 Ų62.231%0.31329%0.294SS..Hα-helixtrans-58.1-34.2-175.8-171.7-177.59.100112.6V44 H45 V49 L50 L51 V81V44-Q47 HydrophobicContact CB-CB 4.15Å; V44-Q47 HydrophobicContact CB-CG 4.38Å; V44-Q47 HydrophobicContact CG1-CB 3.68Å; V44-Q47 HydrophobicContact CG1-CG 3.92Å; H45-Q47 VanDerWaalsContact C-N 3.28Å; H45-Q47 PolarHBondContact O-N 3Å; Q47-V49 PolarHBondContact O-N 2.98Å; Q47-L50 PolarHBondContact O-N 3.23Å; Q47-L50 VanDerWaalsContact O-N 3.16Å; Q47-L51 HydrophobicContact CG-CD1 3.92Å; Q47-L51 HydrophobicContact CG-CG 4.13Å; Q47-L51 WeakPolarHBondContact O-CG 3.41Å; Q47-L51 PolarHBondContact O-N 2.84Å; Q47-L51 VanDerWaalsContact O-N 3.1Å; Q47-V81 PolarHBondContact NE2-O 2.84Å
48E98Very high97.5Very high116 Ų11660.7 Ų60.754%0.54230%0.295SS..Hα-helixtrans-54.7-38.7179.967.9-67.115900112.4N46 L50 L51 D52N46-E48 VanDerWaalsContact CA-OE1 3.28Å; N46-E48 WeakPolarHBondContact CA-OE1 3.47Å; N46-E48 WeakPolarHBondContact CA-OE2 3.48Å; N46-E48 PolarHBondContact O-N 3.41Å; E48-L50 PolarHBondContact O-N 3.11Å; E48-L51 PolarHBondContact O-N 3.33Å; E48-D52 VanDerWaalsContact O-CB 3.26Å; E48-D52 WeakPolarHBondContact O-CB 3.38Å; E48-D52 PolarHBondContact O-N 3.07Å
49V98.4Very high97.4Very high37 Ų3758.8 Ų58.822%0.22430%0.304CS..Hα-helixtrans-58.1-47.71781760000111.2N46 Q47 L53 L180 V209 P212N46-V49 HydrophobicContact CB-CG2 4.32Å; N46-V49 WeakPolarHBondContact O-CB 3.38Å; N46-V49 PolarHBondContact O-N 3.36Å; Q47-V49 PolarHBondContact O-N 2.98Å; V49-L53 HydrophobicContact CG1-CD1 4.19Å; V49-L53 WeakPolarHBondContact O-CG 3.46Å; V49-L53 PolarHBondContact O-N 3.32Å; V49-L53 VanDerWaalsContact O-N 3.15Å; V49-L180 HydrophobicContact CG1-CD1 3.79Å; V49-V209 HydrophobicContact CB-CG1 4.12Å; V49-V209 HydrophobicContact CG1-CG1 4.29Å; V49-P212 HydrophobicContact CG1-CG 3.96Å
50L98.4Very high97.3Very high0 Ų059.5 Ų59.50%031%0.31CS..Hα-helixtrans-64.7-46.6178.5174.165.4000111Q47 E48 D52 L53 I54 T65 V81 L82 W144 L180 L182 V209Q47-L50 PolarHBondContact O-N 3.23Å; Q47-L50 VanDerWaalsContact O-N 3.16Å; E48-L50 PolarHBondContact O-N 3.11Å; L50-D52 VanDerWaalsContact C-N 3.32Å; L50-D52 PolarHBondContact O-N 3.16Å; L50-L53 PolarHBondContact O-N 3.15Å; L50-I54 HydrophobicContact CD1-CD1 3.79Å; L50-I54 HydrophobicContact CD1-CG1 4.34Å; L50-I54 HydrophobicContact CG-CD1 3.89Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 2.84Å; L50-T65 HydrophobicContact CD1-CG2 4.35Å; L50-V81 HydrophobicContact CD2-CG2 3.58Å; L50-L82 HydrophobicContact CD2-CD2 4Å; L50-L82 HydrophobicContact CG-CD2 4.32Å; L50-W144 HydrophobicContact CD1-CZ2 4.47Å; L50-L180 HydrophobicContact CB-CD2 4.12Å; L50-L180 HydrophobicContact CD1-CD2 3.64Å; L50-L182 HydrophobicContact CD2-CD2 4.25Å; L50-V209 HydrophobicContact CB-CG1 4.07Å; L50-V209 HydrophobicContact CB-CG2 4.21Å
51L98.3Very high97.3Very high17 Ų1761 Ų619%0.08932%0.318CS..Hα-helixtrans-64.5-38.7-177.2-63.7177.5000111.8Q47 E48 I54 D55 L82Q47-L51 HydrophobicContact CG-CD1 3.92Å; Q47-L51 HydrophobicContact CG-CG 4.13Å; Q47-L51 WeakPolarHBondContact O-CG 3.41Å; Q47-L51 PolarHBondContact O-N 2.84Å; Q47-L51 VanDerWaalsContact O-N 3.1Å; E48-L51 PolarHBondContact O-N 3.33Å; L51-I54 PolarHBondContact O-N 3.32Å; L51-D55 WeakPolarHBondContact O-CB 3.49Å; L51-D55 PolarHBondContact O-N 2.96Å; L51-L82 HydrophobicContact CD2-CD2 4.15Å
52D98.3Very high97.4Very high93 Ų9353.9 Ų53.950%0.49729%0.291SS..Hα-helixtrans-68.3-44.2179.8-151.559.5000111.3E48 L50 I54 D55 H56E48-D52 VanDerWaalsContact O-CB 3.26Å; E48-D52 WeakPolarHBondContact O-CB 3.38Å; E48-D52 PolarHBondContact O-N 3.07Å; L50-D52 VanDerWaalsContact C-N 3.32Å; L50-D52 PolarHBondContact O-N 3.16Å; D52-I54 VanDerWaalsContact C-N 3.26Å; D52-I54 PolarHBondContact O-N 3.46Å; D52-D55 PolarHBondContact O-N 3.41Å; D52-H56 WeakPolarHBondContact O-CB 3.48Å; D52-H56 PolarHBondContact O-N 3.06Å; D52-H56 IonicContact OD1-CE1 3.36Å; D52-H56 PolarHBondContact OD1-CE1 3.24Å; D52-H56 IonicContact OD1-CG 3.88Å; D52-H56 IonicContact OD1-ND1 2.71Å; D52-H56 PolarHBondContact OD1-ND1 3.43Å
53L98.3Very high97.5Very high23 Ų2352.2 Ų52.212%0.1228%0.282CS..Hα-helixtrans-63.1-30.6173.7-72.9169000113V49 L50 R57 L63 I178 L180 P212V49-L53 HydrophobicContact CG1-CD1 4.19Å; V49-L53 WeakPolarHBondContact O-CG 3.46Å; V49-L53 PolarHBondContact O-N 3.32Å; V49-L53 VanDerWaalsContact O-N 3.15Å; L50-L53 PolarHBondContact O-N 3.15Å; L53-R57 VanDerWaalsContact O-CB 3.27Å; L53-R57 WeakPolarHBondContact O-CB 3.17Å; L53-R57 VanDerWaalsContact O-CD 3.25Å; L53-R57 WeakPolarHBondContact O-CD 3.22Å; L53-R57 WeakPolarHBondContact O-CG 3.31Å; L53-R57 PolarHBondContact O-NH1 3.14Å; L53-L63 HydrophobicContact CB-CD2 4.28Å; L53-L63 HydrophobicContact CD1-CD1 4.29Å; L53-I178 HydrophobicContact CD1-CG2 4.28Å; L53-I178 HydrophobicContact CD2-CD1 3.72Å; L53-I178 HydrophobicContact CD2-CG2 4.21Å; L53-L180 HydrophobicContact CD1-CB 4.46Å; L53-L180 HydrophobicContact CD1-CD1 4.25Å; L53-L180 HydrophobicContact CD1-CD2 3.92Å; L53-L180 HydrophobicContact CD1-CG 4.45Å; L53-P212 HydrophobicContact CD1-CB 4.02Å; L53-P212 HydrophobicContact CD1-CG 4.48Å
54I97.6Very high97.6Very high6 Ų649.6 Ų49.63%0.03127%0.266CS..Hα-helixtrans-75.3-40.8175.9-70.8169.6000111.5L50 L51 D52 L82 Q86 K92 W144L50-I54 HydrophobicContact CD1-CD1 3.79Å; L50-I54 HydrophobicContact CD1-CG1 4.34Å; L50-I54 HydrophobicContact CG-CD1 3.89Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 2.84Å; L51-I54 PolarHBondContact O-N 3.32Å; D52-I54 VanDerWaalsContact C-N 3.26Å; D52-I54 PolarHBondContact O-N 3.46Å; I54-L82 HydrophobicContact CD1-CD1 4.36Å; I54-L82 HydrophobicContact CD1-CD2 3.32Å; I54-L82 HydrophobicContact CD1-CG 4.5Å; I54-Q86 HydrophobicContact CG2-CG 4.11Å; I54-K92 HydrophobicContact CG2-CB 3.86Å; I54-K92 HydrophobicContact CG2-CD 4.26Å; I54-K92 HydrophobicContact CG2-CG 4.3Å; I54-W144 HydrophobicContact CD1-CE3 4.42Å; I54-W144 HydrophobicContact CD1-CH2 3.62Å; I54-W144 HydrophobicContact CD1-CZ2 4.28Å; I54-W144 HydrophobicContact CD1-CZ3 3.7Å; I54-W144 HydrophobicContact CG1-CE3 4.28Å; I54-W144 HydrophobicContact CG1-CH2 4.26Å; I54-W144 HydrophobicContact CG1-CZ3 4.04Å
55D97Very high97.6Very high30 Ų3048 Ų4816%0.1626%0.257CS..Hα-helixtrans-87.7-32.6-172-77.1-15.9000113.4L51 D52 R85 Q86 K92L51-D55 WeakPolarHBondContact O-CB 3.49Å; L51-D55 PolarHBondContact O-N 2.96Å; D52-D55 PolarHBondContact O-N 3.41Å; D55-R85 IonicContact OD2-CZ 3.65Å; D55-R85 IonicContact OD2-NE 3.7Å; D55-R85 IonicContact OD2-NH2 2.76Å; D55-R85 PolarHBondContact OD2-NH2 3.3Å; D55-Q86 VanDerWaalsContact CG-NE2 3.27Å; D55-Q86 PolarHBondContact OD1-NE2 3.2Å; D55-Q86 PolarHBondContact OD2-NE2 3.01Å; D55-K92 IonicContact OD1-NZ 2.72Å; D55-K92 PolarHBondContact OD1-NZ 3.42Å
56H97.1Very high97.6Very high130 Ų13045.7 Ų45.760%0.60225%0.246SC*.Hα-helixtrans-125-7.7-165.1-53.4122.8000115.6D52D52-H56 WeakPolarHBondContact O-CB 3.48Å; D52-H56 PolarHBondContact O-N 3.06Å; D52-H56 IonicContact OD1-CE1 3.36Å; D52-H56 PolarHBondContact OD1-CE1 3.24Å; D52-H56 IonicContact OD1-CG 3.88Å; D52-H56 IonicContact OD1-ND1 2.71Å; D52-H56 PolarHBondContact OD1-ND1 3.43Å
57R96.9Very high97.6Very high44 Ų4442.1 Ų42.117%0.16623%0.226CC..SBendtrans-60.1143.2178.481-178.7179.9-72.9-6.7111.1L53 T61L53-R57 VanDerWaalsContact O-CB 3.27Å; L53-R57 WeakPolarHBondContact O-CB 3.17Å; L53-R57 VanDerWaalsContact O-CD 3.25Å; L53-R57 WeakPolarHBondContact O-CD 3.22Å; L53-R57 WeakPolarHBondContact O-CG 3.31Å; L53-R57 PolarHBondContact O-NH1 3.14Å; R57-T61 WeakPolarHBondContact CD-O 3.37Å; R57-T61 PolarHBondContact NE-O 2.92Å
58P96.9Very high97.6Very high75 Ų7538.9 Ų38.949%0.48721%0.212SC..  trans-57147.5173.1-24.734.8000112.3D60 T61P58-D60 WeakPolarHBondContact CB-OD1 3.44Å; P58-D60 PolarHBondContact O-N 2.96Å; P58-T61 WeakPolarHBondContact O-CB 3.41Å; P58-T61 PolarHBondContact O-N 3.48Å
59S93.9Very high97.5Very high112 Ų11234.8 Ų34.878%0.78319%0.192SC*.THydrogen-bonded Turntrans-66.7-19.6-176.253.50000114.4G142S59-G142 WeakPolarHBondContact O-CA 3.47Å
60D95.3Very high97.2Very high103 Ų10333.6 Ų33.655%0.55118%0.184SC*.THydrogen-bonded Turntrans-96.47.4176.365.3-20.4000112.7P58 P62P58-D60 WeakPolarHBondContact CB-OD1 3.44Å; P58-D60 PolarHBondContact O-N 2.96Å; D60-P62 WeakPolarHBondContact O-CD 3.36Å
61T97.5Very high96.8Very high30 Ų3033.6 Ų33.618%0.18418%0.184CC..SBendtrans-107.7102.5176.9-59.10000109.5R57 P58 I178R57-T61 WeakPolarHBondContact CD-O 3.37Å; R57-T61 PolarHBondContact NE-O 2.92Å; P58-T61 WeakPolarHBondContact O-CB 3.41Å; P58-T61 PolarHBondContact O-N 3.48Å; T61-I178 HydrophobicContact CG2-CD1 3.54Å; T61-I178 HydrophobicContact CG2-CG1 3.72Å
62P98.3Very high96.3Very high0 Ų036.1 Ų36.10%020%0.202CC..  trans-68.4154.3179.7-6.820.7000111.1D60 L139 L175 P177 I178D60-P62 WeakPolarHBondContact O-CD 3.36Å; P62-L139 HydrophobicContact CB-CB 4.37Å; P62-L139 HydrophobicContact CB-CD2 3.91Å; P62-L139 WeakPolarHBondContact CB-O 3.37Å; P62-L139 WeakPolarHBondContact CG-O 3.24Å; P62-L175 HydrophobicContact CG-CB 3.51Å; P62-L175 HydrophobicContact CG-CD1 3.87Å; P62-L175 HydrophobicContact CG-CG 4.34Å; P62-P177 HydrophobicContact CB-CB 4.12Å; P62-P177 HydrophobicContact CG-CB 4.47Å; P62-P177 CarbonylContact O-C 3.58Å; P62-P177 WeakPolarHBondContact O-CA 3.46Å; P62-I178 PolarHBondContact O-N 3.08Å
63L98.8Very high95.9Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-121.6126.8176.2177.862.1000109.6L53 T65 E143 W144 V145 I178 L180L53-L63 HydrophobicContact CB-CD2 4.28Å; L53-L63 HydrophobicContact CD1-CD1 4.29Å; L63-T65 HydrophobicContact CD1-CG2 4.44Å; L63-T65 HydrophobicContact CD2-CG2 4.27Å; L63-T65 HydrophobicContact CG-CG2 4.2Å; L63-E143 PolarHBondContact N-O 2.86Å; L63-W144 HydrophobicContact CB-CB 4.3Å; L63-W144 HydrophobicContact CB-CG 4.26Å; L63-W144 HydrophobicContact CD2-CD2 4.22Å; L63-W144 HydrophobicContact CD2-CG 3.91Å; L63-W144 HydrophobicContact CG-CG 4.23Å; L63-W144 WeakPolarHBondContact O-CA 3.47Å; L63-V145 PolarHBondContact O-N 2.72Å; L63-I178 HydrophobicContact CD1-CB 4.25Å; L63-I178 HydrophobicContact CD1-CG2 4.16Å; L63-L180 HydrophobicContact CD1-CB 4.1Å
64I98.8Very high95.7Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-111.7111.7168.5-61.8174.5000107.9L66 L139 V145 I147 I170 P177 I178 I179 L180I64-L66 HydrophobicContact CG2-CD2 3.72Å; I64-L66 HydrophobicContact CG2-CG 4.2Å; I64-L139 HydrophobicContact CD1-CD1 3.91Å; I64-L139 HydrophobicContact CD1-CD2 4.28Å; I64-L139 HydrophobicContact CG1-CD1 4.15Å; I64-L139 HydrophobicContact CG1-CD2 3.68Å; I64-V145 CarbonylContact C-O 3.16Å; I64-V145 WeakPolarHBondContact CA-O 3.47Å; I64-I147 HydrophobicContact CG2-CD1 4.06Å; I64-I170 HydrophobicContact CD1-CG1 3.9Å; I64-P177 HydrophobicContact CD1-CB 3.8Å; I64-P177 HydrophobicContact CD1-CG 3.88Å; I64-P177 HydrophobicContact CG1-CB 3.95Å; I64-I178 PolarHBondContact N-O 2.98Å; I64-I179 CarbonylContact O-C 3.57Å; I64-I179 WeakPolarHBondContact O-CA 3.32Å; I64-L180 PolarHBondContact O-N 3.07Å
65T98.8Very high95.5Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-94.5138.8168.349.90000110.5L50 L63 W144 V145 H146 I147 L180 L182L50-T65 HydrophobicContact CD1-CG2 4.35Å; L63-T65 HydrophobicContact CD1-CG2 4.44Å; L63-T65 HydrophobicContact CD2-CG2 4.27Å; L63-T65 HydrophobicContact CG-CG2 4.2Å; T65-W144 HydrophobicContact CG2-CZ2 4.09Å; T65-W144 PolarHBondContact OG1-NE1 3.39Å; T65-V145 PolarHBondContact N-O 2.7Å; T65-V145 PolarHBondContact OG1-O 3.18Å; T65-H146 CarbonylContact O-C 3.59Å; T65-H146 WeakPolarHBondContact O-CA 3.44Å; T65-H146 PolarHBondContact O-ND1 3.02Å; T65-H146 WeakPolarHBondContact OG1-CA 3.33Å; T65-H146 WeakPolarHBondContact OG1-CB 3.19Å; T65-H146 PolarHBondContact OG1-ND1 3.06Å; T65-I147 PolarHBondContact O-N 3.2Å; T65-L180 VanDerWaalsContact CA-O 3.24Å; T65-L180 WeakPolarHBondContact CA-O 3.38Å; T65-L180 HydrophobicContact CG2-CB 4.14Å; T65-L180 HydrophobicContact CG2-CD2 4.14Å; T65-L182 HydrophobicContact CG2-CD1 3.89Å
66L98Very high95.3Very high1 Ų133.3 Ų33.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-121.6136.3179.3-55.9174.9000109.7I64 I147 P149 V166 I179 L180 P181 L182 I240 F244I64-L66 HydrophobicContact CG2-CD2 3.72Å; I64-L66 HydrophobicContact CG2-CG 4.2Å; L66-I147 WeakPolarHBondContact CA-O 3.44Å; L66-I147 HydrophobicContact CD2-CB 3.91Å; L66-I147 HydrophobicContact CD2-CD1 4.46Å; L66-P149 HydrophobicContact CD2-CG 4.4Å; L66-V166 HydrophobicContact CD1-CG2 4.38Å; L66-V166 HydrophobicContact CD2-CG2 3.79Å; L66-I179 HydrophobicContact CD1-CG2 3.82Å; L66-I179 HydrophobicContact CG-CG2 4.34Å; L66-L180 PolarHBondContact N-O 3.06Å; L66-P181 CarbonylContact O-C 3.59Å; L66-L182 WeakPolarHBondContact O-CA 3.38Å; L66-L182 PolarHBondContact O-N 3.27Å; L66-I240 HydrophobicContact CD1-CD1 4.48Å; L66-I240 HydrophobicContact CD1-CG2 3.31Å; L66-F244 HydrophobicContact CB-CE2 4.32Å
67S97.8Very high95.3Very high0 Ų027.3 Ų27.30%016%0.16CC..  trans-138.3155.4173.3-176.20000112.2I78 H146 I147 F148 P149 L182 H184S67-I78 VanDerWaalsContact OG-CD1 3.27Å; S67-I78 WeakPolarHBondContact OG-CD1 3.38Å; S67-H146 VanDerWaalsContact CB-CE1 3.48Å; S67-H146 WeakPolarHBondContact CB-CE1 3.36Å; S67-I147 PolarHBondContact N-O 3.39Å; S67-F148 WeakPolarHBondContact O-CD1 3.34Å; S67-P149 WeakPolarHBondContact O-CD 3.05Å; S67-L182 WeakPolarHBondContact CA-O 3.41Å; S67-H184 PolarHBondContact OG-CD2 2.63Å
68N97.2Very high95.2Very high0 Ų025.2 Ų25.20%015%0.152CC..  trans-66.9157.7168.960.5-55.7000108.9Q70 F148 W183 H184 F244N68-Q70 PolarHBondContact ND2-OE1 2.94Å; N68-Q70 VanDerWaalsContact ND2-OE1 3.09Å; N68-F148 VanDerWaalsContact O-CD1 3.22Å; N68-F148 WeakPolarHBondContact O-CD1 3.23Å; N68-F148 VanDerWaalsContact O-CE1 3.26Å; N68-F148 WeakPolarHBondContact O-CE1 3.47Å; N68-W183 HydrophobicContact CB-CD2 3.99Å; N68-W183 HydrophobicContact CB-CE3 3.92Å; N68-W183 HydrophobicContact CB-CH2 3.68Å; N68-W183 HydrophobicContact CB-CZ2 3.76Å; N68-W183 HydrophobicContact CB-CZ3 3.78Å; N68-W183 WeakPolarHBondContact OD1-CA 3.29Å; N68-H184 PolarHBondContact ND2-O 3.34Å; N68-H184 PolarHBondContact O-NE2 3.31Å; N68-H184 PolarHBondContact OD1-CD2 3.48Å; N68-H184 PolarHBondContact OD1-N 3.25Å; N68-F244 HydrophobicContact CB-CE1 4.48Å; N68-F244 HydrophobicContact CB-CZ 4.08Å; N68-F244 VanDerWaalsContact N-CZ 3.28Å
69H95.6Very high95.3Very high30 Ų3021.8 Ų21.814%0.13913%0.129CC..  trans-127.9104.6-178.6-164.419.7000110S71 D74 F148 E150 I153 N154H69-S71 PolarHBondContact CE1-O 3.32Å; H69-S71 PolarHBondContact ND1-O 2.93Å; H69-D74 VanDerWaalsContact C-OD2 3.3Å; H69-D74 VanDerWaalsContact CA-OD2 3.24Å; H69-D74 WeakPolarHBondContact CA-OD2 3.43Å; H69-D74 IonicContact CE1-OD2 2.76Å; H69-D74 IonicContact CG-OD2 3.67Å; H69-D74 IonicContact ND1-OD2 3.73Å; H69-D74 PolarHBondContact ND1-OD2 2.92Å; H69-F148 HydrophobicContact CB-CB 3.92Å; H69-F148 HydrophobicContact CB-CD1 3.6Å; H69-F148 HydrophobicContact CB-CE1 4.39Å; H69-F148 HydrophobicContact CB-CG 3.96Å; H69-F148 AromaticContact CG-CD1 3.86Å; H69-F148 AromaticContact CG-CG 3.95Å; H69-E150 PolarHBondContact N-OE2 3.24Å; H69-I153 WeakPolarHBondContact NE2-CG1 3.24Å; H69-I153 CarbonylContact O-C 3.5Å; H69-I153 WeakPolarHBondContact O-CA 3.38Å; H69-N154 WeakPolarHBondContact O-CB 3.28Å; H69-N154 PolarHBondContact O-N 3.5Å
70Q92.4Very high95.4Very high12 Ų1216.6 Ų16.66%0.0569%0.094CC..  trans-119.2-11.8-178.2-58.2-179.2-70.200113.7N68 D74 I153 E157 H184 T188 N193N68-Q70 PolarHBondContact ND2-OE1 2.94Å; N68-Q70 VanDerWaalsContact ND2-OE1 3.09Å; Q70-D74 PolarHBondContact N-OD2 2.95Å; Q70-I153 WeakPolarHBondContact O-CG2 3.42Å; Q70-E157 VanDerWaalsContact NE2-CD 3.33Å; Q70-E157 PolarHBondContact NE2-OE1 3.23Å; Q70-E157 VanDerWaalsContact NE2-OE1 3.12Å; Q70-H184 PolarHBondContact OE1-O 2.9Å; Q70-T188 WeakPolarHBondContact CB-OG1 3.35Å; Q70-N193 PolarHBondContact O-ND2 2.79Å
71S90.6Very high95.4Very high0 Ų011.8 Ų11.80%07%0.068CC..SBendtrans-146.1154177.7-176.40000112.8H69 M73 D74 L191H69-S71 PolarHBondContact CE1-O 3.32Å; H69-S71 PolarHBondContact ND1-O 2.93Å; S71-M73 PolarHBondContact O-N 2.9Å; S71-M73 VanDerWaalsContact O-N 3.1Å; S71-D74 VanDerWaalsContact CB-OD1 3.31Å; S71-D74 WeakPolarHBondContact CB-OD1 3.41Å; S71-D74 VanDerWaalsContact N-CG 3.28Å; S71-D74 PolarHBondContact N-OD1 3.16Å; S71-D74 PolarHBondContact N-OD2 3.33Å; S71-D74 PolarHBondContact O-N 2.74Å; S71-D74 VanDerWaalsContact O-N 3.13Å; S71-L191 PolarHBondContact OG-O 3.02Å
72C88Confident95.4Very high69 Ų6910.4 Ų10.447%0.4666%0.06SC..THydrogen-bonded Turntrans-56.4-24.7172.9-71.30000113.4I153 L191C72-I153 HydrophobicContact CB-CD1 4.22Å; C72-I153 WeakPolarHBondContact SG-CD1 3.32Å; C72-L191 HydrophobicContact CB-CD2 4.37Å
73M89.9Confident95.4Very high48 Ų4814.5 Ų14.524%0.2368%0.077CC..THydrogen-bonded Turntrans-98.69.9-178.2-71.1-66.3-70.900114Y31 S71 D75 P76 H77 L191Y31-M73 HydrophobicContact CE1-CE 3.91Å; S71-M73 PolarHBondContact O-N 2.9Å; S71-M73 VanDerWaalsContact O-N 3.1Å; M73-D75 PolarHBondContact O-N 2.94Å; M73-P76 HydrophobicContact CB-CG 4.25Å; M73-P76 HydrophobicContact CE-CB 4.19Å; M73-P76 HydrophobicContact CE-CG 3.6Å; M73-P76 VanDerWaalsContact O-CD 3.29Å; M73-P76 WeakPolarHBondContact O-CD 3.43Å; M73-P76 WeakPolarHBondContact O-CG 3.44Å; M73-P76 HydrophobicContact SD-CG 3.65Å; M73-H77 WeakPolarHBondContact CE-NE2 3.35Å; M73-H77 VanDerWaalsContact O-CB 3.25Å; M73-H77 WeakPolarHBondContact O-CB 3.24Å; M73-H77 PolarHBondContact O-N 3.09Å; M73-L191 HydrophobicContact CB-CD2 4.04Å; M73-L191 HydrophobicContact CG-CB 4.45Å; M73-L191 HydrophobicContact CG-CD2 3.3Å; M73-L191 HydrophobicContact CG-CG 4.46Å
74D94Very high95.2Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-59-50180-65.7-19.8000112.1H69 Q70 S71 H77 I78 F148 H184 L187H69-D74 VanDerWaalsContact C-OD2 3.3Å; H69-D74 VanDerWaalsContact CA-OD2 3.24Å; H69-D74 WeakPolarHBondContact CA-OD2 3.43Å; H69-D74 IonicContact CE1-OD2 2.76Å; H69-D74 IonicContact CG-OD2 3.67Å; H69-D74 IonicContact ND1-OD2 3.73Å; H69-D74 PolarHBondContact ND1-OD2 2.92Å; Q70-D74 PolarHBondContact N-OD2 2.95Å; S71-D74 VanDerWaalsContact CB-OD1 3.31Å; S71-D74 WeakPolarHBondContact CB-OD1 3.41Å; S71-D74 VanDerWaalsContact N-CG 3.28Å; S71-D74 PolarHBondContact N-OD1 3.16Å; S71-D74 PolarHBondContact N-OD2 3.33Å; S71-D74 PolarHBondContact O-N 2.74Å; S71-D74 VanDerWaalsContact O-N 3.13Å; D74-H77 PolarHBondContact O-N 3Å; D74-I78 VanDerWaalsContact O-CB 3.29Å; D74-I78 WeakPolarHBondContact O-CB 3.28Å; D74-I78 VanDerWaalsContact O-CG2 3.31Å; D74-I78 WeakPolarHBondContact O-CG2 3.2Å; D74-I78 PolarHBondContact O-N 3.21Å; D74-F148 HydrophobicContact CB-CE1 3.92Å; D74-F148 HydrophobicContact CB-CZ 3.94Å; D74-H184 VanDerWaalsContact CG-CE1 3.43Å; D74-H184 IonicContact OD1-CE1 3.86Å; D74-H184 PolarHBondContact OD1-CE1 3.03Å; D74-H184 IonicContact OD1-NE2 3.69Å; D74-H184 PolarHBondContact OD1-NE2 2.98Å; D74-H184 IonicContact OD2-CE1 2.7Å; D74-H184 IonicContact OD2-NE2 2.77Å; D74-H184 PolarHBondContact OD2-NE2 3.16Å; D74-L187 HydrophobicContact CB-CD1 4.36Å
75D93.3Very high95.1Very high22 Ų2225.2 Ų25.212%0.11812%0.123CC..Hα-helixtrans-58.4-54.7-179.4-17259.5000111.8M73 H77 W79 R94 H146 F148M73-D75 PolarHBondContact O-N 2.94Å; D75-H77 PolarHBondContact O-N 3.41Å; D75-W79 PolarHBondContact O-NE1 2.68Å; D75-W79 PolarHBondContact OD1-NE1 3.02Å; D75-R94 VanDerWaalsContact CG-NH2 3.26Å; D75-R94 IonicContact OD1-CZ 3.54Å; D75-R94 IonicContact OD1-NH2 2.67Å; D75-R94 PolarHBondContact OD1-NH2 3.37Å; D75-R94 IonicContact OD2-CZ 4Å; D75-R94 IonicContact OD2-NH2 3.17Å; D75-R94 PolarHBondContact OD2-NH2 3.23Å; D75-H146 IonicContact OD1-CD2 3.79Å; D75-F148 HydrophobicContact CB-CE2 3.81Å; D75-F148 HydrophobicContact CB-CZ 4.06Å
76P93.2Very high95Very high23 Ų2325.2 Ų25.215%0.14912%0.123CC..Hα-helixtrans-61.8-43.6177.821-30.6000112.5V28 S32 M73V28-P76 HydrophobicContact CG1-CB 3.88Å; S32-P76 WeakPolarHBondContact CB-O 3.3Å; S32-P76 PolarHBondContact OG-O 3.46Å; M73-P76 HydrophobicContact CB-CG 4.25Å; M73-P76 HydrophobicContact CE-CB 4.19Å; M73-P76 HydrophobicContact CE-CG 3.6Å; M73-P76 VanDerWaalsContact O-CD 3.29Å; M73-P76 WeakPolarHBondContact O-CD 3.43Å; M73-P76 WeakPolarHBondContact O-CG 3.44Å; M73-P76 HydrophobicContact SD-CG 3.65Å
77H95.7Very high95Very high4 Ų425.1 Ų25.12%0.01912%0.123CC..Hα-helixtrans-74.7-36.1-172.6-71.3164.8000114.7Y31 S32 W35 T36 M73 D74 D75 W79 G80 L187Y31-H77 AromaticContact CE1-NE2 3.56Å; S32-H77 VanDerWaalsContact OG-CA 3.24Å; S32-H77 WeakPolarHBondContact OG-CA 3.34Å; S32-H77 PolarHBondContact OG-O 3.04Å; W35-H77 AromaticContact CD1-CE1 3.48Å; W35-H77 VanDerWaalsContact CD1-CE1 3.48Å; W35-H77 AromaticContact CD1-NE2 3.34Å; W35-H77 VanDerWaalsContact CD1-NE2 3.34Å; W35-H77 AromaticContact NE1-CE1 3.81Å; T36-H77 HydrophobicContact CG2-CB 3.74Å; M73-H77 WeakPolarHBondContact CE-NE2 3.35Å; M73-H77 VanDerWaalsContact O-CB 3.25Å; M73-H77 WeakPolarHBondContact O-CB 3.24Å; M73-H77 PolarHBondContact O-N 3.09Å; D74-H77 PolarHBondContact O-N 3Å; D75-H77 PolarHBondContact O-N 3.41Å; H77-W79 PolarHBondContact O-N 3.39Å; H77-W79 VanDerWaalsContact O-N 3.13Å; H77-G80 PolarHBondContact O-N 3.35Å; H77-L187 HydrophobicContact CB-CD1 4.26Å; H77-L187 HydrophobicContact CB-CD2 3.87Å
78I96.1Very high95Very high1 Ų130.4 Ų30.41%0.00514%0.143CC..Hα-helixtrans-61.4-27.9-179.2-159.4175.8000111.9S67 D74 G80 V81 L182S67-I78 VanDerWaalsContact OG-CD1 3.27Å; S67-I78 WeakPolarHBondContact OG-CD1 3.38Å; D74-I78 VanDerWaalsContact O-CB 3.29Å; D74-I78 WeakPolarHBondContact O-CB 3.28Å; D74-I78 VanDerWaalsContact O-CG2 3.31Å; D74-I78 WeakPolarHBondContact O-CG2 3.2Å; D74-I78 PolarHBondContact O-N 3.21Å; I78-G80 VanDerWaalsContact C-N 3.27Å; I78-G80 PolarHBondContact O-N 2.98Å; I78-V81 VanDerWaalsContact O-CG1 3.3Å; I78-V81 WeakPolarHBondContact O-CG1 3.32Å; I78-V81 VanDerWaalsContact O-CG2 3.24Å; I78-V81 WeakPolarHBondContact O-CG2 3.37Å; I78-L182 HydrophobicContact CD1-CB 4.28Å; I78-L182 HydrophobicContact CD1-CD2 4.29Å
79W97.3Very high94.9Very high2 Ų232 Ų321%0.00815%0.154CC..G310 helixtrans-81.2-1.4178-51.3114.6000114.5D75 H77 V81 L82 L87 R94 W144 H146D75-W79 PolarHBondContact O-NE1 2.68Å; D75-W79 PolarHBondContact OD1-NE1 3.02Å; H77-W79 PolarHBondContact O-N 3.39Å; H77-W79 VanDerWaalsContact O-N 3.13Å; W79-V81 PolarHBondContact O-N 3.06Å; W79-V81 VanDerWaalsContact O-N 3.09Å; W79-L82 HydrophobicContact CB-CD1 4.22Å; W79-L82 HydrophobicContact CB-CG 4.49Å; W79-L82 HydrophobicContact CE3-CD1 4.11Å; W79-L82 HydrophobicContact CE3-CG 4.37Å; W79-L82 WeakPolarHBondContact O-CB 3.35Å; W79-L82 PolarHBondContact O-N 3.12Å; W79-L87 HydrophobicContact CB-CD2 4.32Å; W79-R94 VanDerWaalsContact CD1-CZ 3.48Å; W79-R94 HydrophobicContact CZ2-CG 3.94Å; W79-W144 HydrophobicContact CD2-CH2 4.45Å; W79-W144 AromaticContact CE3-CH2 3.72Å; W79-W144 HydrophobicContact CE3-CH2 3.72Å; W79-W144 AromaticContact CE3-CZ2 3.98Å; W79-W144 HydrophobicContact CE3-CZ2 3.98Å; W79-W144 AromaticContact CH2-CH2 3.98Å; W79-W144 HydrophobicContact CH2-CH2 3.98Å; W79-W144 AromaticContact CH2-CZ2 3.39Å; W79-W144 HydrophobicContact CH2-CZ2 3.39Å; W79-W144 HydrophobicContact CZ2-CZ2 4.26Å; W79-W144 AromaticContact CZ3-CH2 3.47Å; W79-W144 HydrophobicContact CZ3-CH2 3.47Å; W79-W144 VanDerWaalsContact CZ3-CH2 3.47Å; W79-W144 AromaticContact CZ3-CZ2 3.24Å; W79-W144 HydrophobicContact CZ3-CZ2 3.24Å; W79-H146 HydrophobicContact CH2-CB 4.11Å; W79-H146 AromaticContact CH2-CE1 3.92Å; W79-H146 AromaticContact CH2-CG 3.8Å; W79-H146 AromaticContact CH2-ND1 3.44Å; W79-H146 WeakPolarHBondContact CH2-ND1 3.47Å; W79-H146 HydrophobicContact CZ2-CB 3.67Å; W79-H146 AromaticContact CZ2-CD2 3.67Å; W79-H146 AromaticContact CZ2-CE1 3.77Å; W79-H146 AromaticContact CZ2-CG 3.33Å; W79-H146 AromaticContact CZ2-ND1 3.42Å; W79-H146 WeakPolarHBondContact CZ2-ND1 3.46Å; W79-H146 AromaticContact CZ2-NE2 3.93Å
80G95.9Very high94.9Very high3 Ų332.3 Ų32.33%0.03115%0.154CC..G310 helixtrans-59.3-15.9167.300000112.8S32 F33 H77 I78 L82S32-G80 WeakPolarHBondContact OG-CA 3.41Å; S32-G80 PolarHBondContact OG-N 2.86Å; S32-G80 VanDerWaalsContact OG-N 3.15Å; F33-G80 WeakPolarHBondContact CD2-O 3.34Å; H77-G80 PolarHBondContact O-N 3.35Å; I78-G80 VanDerWaalsContact C-N 3.27Å; I78-G80 PolarHBondContact O-N 2.98Å; G80-L82 PolarHBondContact O-N 3.12Å
81V96.7Very high95Very high3 Ų340 Ų402%0.01819%0.188CC..G310 helixtrans-68.9-15.4170.8-52.50000113.6L42 V44 Q47 L50 I78 W79 V207L42-V81 HydrophobicContact CD1-CG1 4.42Å; L42-V81 HydrophobicContact CD2-CG1 4.09Å; V44-V81 HydrophobicContact CG1-CG1 4.16Å; V44-V81 HydrophobicContact CG2-CB 4.18Å; V44-V81 HydrophobicContact CG2-CG1 3.59Å; Q47-V81 PolarHBondContact NE2-O 2.84Å; L50-V81 HydrophobicContact CD2-CG2 3.58Å; I78-V81 VanDerWaalsContact O-CG1 3.3Å; I78-V81 WeakPolarHBondContact O-CG1 3.32Å; I78-V81 VanDerWaalsContact O-CG2 3.24Å; I78-V81 WeakPolarHBondContact O-CG2 3.37Å; W79-V81 PolarHBondContact O-N 3.06Å; W79-V81 VanDerWaalsContact O-N 3.09Å; V81-V207 HydrophobicContact CG1-CB 4.34Å; V81-V207 HydrophobicContact CG1-CG1 4.35Å; V81-V207 HydrophobicContact CG1-CG2 4.25Å
82L97.6Very high95.2Very high1 Ų143 Ų431%0.00520%0.201CC..SBendtrans-84.3158.5-176.9-60.2-177.9000112.1L50 L51 I54 W79 G80 Q86 L87 M93 W144L50-L82 HydrophobicContact CD2-CD2 4Å; L50-L82 HydrophobicContact CG-CD2 4.32Å; L51-L82 HydrophobicContact CD2-CD2 4.15Å; I54-L82 HydrophobicContact CD1-CD1 4.36Å; I54-L82 HydrophobicContact CD1-CD2 3.32Å; I54-L82 HydrophobicContact CD1-CG 4.5Å; W79-L82 HydrophobicContact CB-CD1 4.22Å; W79-L82 HydrophobicContact CB-CG 4.49Å; W79-L82 HydrophobicContact CE3-CD1 4.11Å; W79-L82 HydrophobicContact CE3-CG 4.37Å; W79-L82 WeakPolarHBondContact O-CB 3.35Å; W79-L82 PolarHBondContact O-N 3.12Å; G80-L82 PolarHBondContact O-N 3.12Å; L82-Q86 HydrophobicContact CB-CB 4.38Å; L82-L87 HydrophobicContact CB-CD2 3.83Å; L82-L87 HydrophobicContact CB-CG 3.93Å; L82-L87 HydrophobicContact CD1-CD2 3.96Å; L82-L87 HydrophobicContact CG-CD2 4.4Å; L82-M93 HydrophobicContact CD1-SD 3.9Å; L82-W144 HydrophobicContact CD1-CH2 4.05Å; L82-W144 HydrophobicContact CD1-CZ3 4.27Å
83K97Very high95.6Very high85 Ų8540.1 Ų40.137%0.3718%0.18SC..  trans-75.8148172.4-65.4173.5179.6165.80109.7R85 Q86 L87K83-R85 HydrophobicContact CB-CG 4.11Å; K83-R85 VanDerWaalsContact CD-CZ 3.47Å; K83-R85 PolarHBondContact O-N 2.95Å; K83-R85 VanDerWaalsContact O-N 3.12Å; K83-Q86 HydrophobicContact CB-CG 4.5Å; K83-Q86 WeakPolarHBondContact O-CA 3.32Å; K83-Q86 WeakPolarHBondContact O-CB 3.47Å; K83-Q86 PolarHBondContact O-N 3.39Å; K83-L87 PolarHBondContact O-N 2.93Å; K83-L87 VanDerWaalsContact O-N 3.12Å
84L96.1Very high96Very high79 Ų7938.4 Ų38.441%0.41417%0.171SC..Hα-helixtrans-51.8-40.6177.6-66.2177.1000112.6T30 F33 Q86 L87 W88T30-L84 HydrophobicContact CG2-CD2 4.18Å; F33-L84 HydrophobicContact CD1-CD2 4.25Å; F33-L84 HydrophobicContact CG-CD2 4.31Å; L84-Q86 PolarHBondContact O-N 2.93Å; L84-Q86 VanDerWaalsContact O-N 3.15Å; L84-L87 HydrophobicContact CD2-CD1 4.2Å; L84-L87 PolarHBondContact O-N 2.93Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.24Å
85R96.4Very high96.2Very high146 Ų14638.6 Ų38.655%0.55117%0.172SC*.Hα-helixtrans-57.4-30.2175.975.5-177.8-177.9-137.48.5114.2D55 K83 S89D55-R85 IonicContact OD2-CZ 3.65Å; D55-R85 IonicContact OD2-NE 3.7Å; D55-R85 IonicContact OD2-NH2 2.76Å; D55-R85 PolarHBondContact OD2-NH2 3.3Å; K83-R85 HydrophobicContact CB-CG 4.11Å; K83-R85 VanDerWaalsContact CD-CZ 3.47Å; K83-R85 PolarHBondContact O-N 2.95Å; K83-R85 VanDerWaalsContact O-N 3.12Å; R85-S89 WeakPolarHBondContact O-CB 3.41Å
86Q97Very high96.4Very high0 Ų037.6 Ų37.60%017%0.166CC..Hα-helixtrans-82.7-43.8179.2-66.7166.4-37.600109.9I54 D55 L82 K83 L84 W88 S89 K92I54-Q86 HydrophobicContact CG2-CG 4.11Å; D55-Q86 VanDerWaalsContact CG-NE2 3.27Å; D55-Q86 PolarHBondContact OD1-NE2 3.2Å; D55-Q86 PolarHBondContact OD2-NE2 3.01Å; L82-Q86 HydrophobicContact CB-CB 4.38Å; K83-Q86 HydrophobicContact CB-CG 4.5Å; K83-Q86 WeakPolarHBondContact O-CA 3.32Å; K83-Q86 WeakPolarHBondContact O-CB 3.47Å; K83-Q86 PolarHBondContact O-N 3.39Å; L84-Q86 PolarHBondContact O-N 2.93Å; L84-Q86 VanDerWaalsContact O-N 3.15Å; Q86-W88 VanDerWaalsContact C-N 3.28Å; Q86-W88 PolarHBondContact O-N 3.36Å; Q86-S89 WeakPolarHBondContact O-CB 3.27Å; Q86-S89 PolarHBondContact O-N 3.32Å; Q86-K92 HydrophobicContact CG-CD 4.3Å
87L97.3Very high96.6Very high0 Ų037.7 Ų37.70%017%0.167CC..Hα-helixtrans-58.5-37.6178.6-67.1170.8000113.1G26 G29 F33 W79 L82 K83 L84 S89 M93G26-L87 PolarHBondContact N-O 2.86Å; G29-L87 WeakPolarHBondContact O-CD1 3.42Å; F33-L87 HydrophobicContact CB-CD1 4.21Å; W79-L87 HydrophobicContact CB-CD2 4.32Å; L82-L87 HydrophobicContact CB-CD2 3.83Å; L82-L87 HydrophobicContact CB-CG 3.93Å; L82-L87 HydrophobicContact CD1-CD2 3.96Å; L82-L87 HydrophobicContact CG-CD2 4.4Å; K83-L87 PolarHBondContact O-N 2.93Å; K83-L87 VanDerWaalsContact O-N 3.12Å; L84-L87 HydrophobicContact CD2-CD1 4.2Å; L84-L87 PolarHBondContact O-N 2.93Å; L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 3.06Å; L87-M93 HydrophobicContact CD2-CE 4.22Å; L87-M93 HydrophobicContact CD2-SD 4.17Å
88W97.4Very high96.6Very high110 Ų11038.7 Ų38.742%0.41717%0.174SC..THydrogen-bonded Turntrans-86.25.4178.2-72.983.6000113.9F23 M27 T30 L84 Q86F23-W88 HydrophobicContact CD2-CH2 4.38Å; F23-W88 HydrophobicContact CD2-CZ3 4.07Å; M27-W88 HydrophobicContact CG-CH2 4.2Å; M27-W88 HydrophobicContact SD-CH2 3.95Å; M27-W88 HydrophobicContact SD-CZ2 4.26Å; T30-W88 PolarHBondContact OG1-NE1 3.19Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.24Å; Q86-W88 VanDerWaalsContact C-N 3.28Å; Q86-W88 PolarHBondContact O-N 3.36Å
89S96.3Very high96.5Very high33 Ų3339.4 Ų39.423%0.23118%0.18CC..  trans-104.4118.4-177.8179.80000112.3R85 Q86 L87 K91 K92 M93R85-S89 WeakPolarHBondContact O-CB 3.41Å; Q86-S89 WeakPolarHBondContact O-CB 3.27Å; Q86-S89 PolarHBondContact O-N 3.32Å; L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 3.06Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.26Å; S89-K92 PolarHBondContact O-N 3.43Å; S89-M93 WeakPolarHBondContact O-CG 3.35Å; S89-M93 PolarHBondContact O-N 3.12Å
90Y94.9Very high96.3Very high37 Ų3740.2 Ų40.215%0.14519%0.185CC..G310 helixtrans-52.9-41.4175.3-172.1-101.6000113.6R18 S21 S22 M25 K117R18-Y90 HydrophobicContact CB-CD2 4.14Å; R18-Y90 HydrophobicContact CB-CE2 4.21Å; R18-Y90 HydrophobicContact CB-CG 4.3Å; R18-Y90 HydrophobicContact CG-CD1 4.4Å; R18-Y90 HydrophobicContact CG-CE1 4.04Å; R18-Y90 HydrophobicContact CG-CE2 4.18Å; S21-Y90 WeakPolarHBondContact OG-CE2 3.45Å; S22-Y90 WeakPolarHBondContact OG-CB 3.31Å; M25-Y90 HydrophobicContact CE-CD2 4.04Å; Y90-K117 WeakPolarHBondContact O-CE 3.46Å; Y90-K117 PolarHBondContact O-NZ 2.67Å
91K93.9Very high96.1Very high174 Ų17444 Ų4476%0.75721%0.205SC*.G310 helixtrans-81-24-173.9-67.2-174.4178.9-177.60112.9S89S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.26Å
92K95.3Very high95.8Very high64 Ų6448.5 Ų48.528%0.27823%0.228SC..G310 helixtrans-97.610.3-177-61.9-171.2168.8-169.50113.3I54 D55 Q86 S89 W144I54-K92 HydrophobicContact CG2-CB 3.86Å; I54-K92 HydrophobicContact CG2-CD 4.26Å; I54-K92 HydrophobicContact CG2-CG 4.3Å; D55-K92 IonicContact OD1-NZ 2.72Å; D55-K92 PolarHBondContact OD1-NZ 3.42Å; Q86-K92 HydrophobicContact CG-CD 4.3Å; S89-K92 PolarHBondContact O-N 3.43Å; K92-W144 WeakPolarHBondContact O-CZ3 3.4Å
93M96.7Very high95.6Very high7 Ų749.2 Ų49.23%0.03423%0.233CC..SBendtrans-113135.4177.1-71.9-61-71.500112.4M25 L82 L87 S89 K117M25-M93 HydrophobicContact CE-CB 3.97Å; M25-M93 HydrophobicContact CE-CG 4.34Å; M25-M93 HydrophobicContact SD-CB 3.49Å; M25-M93 WeakPolarHBondContact SD-CB 3.29Å; M25-M93 HydrophobicContact SD-CG 4.04Å; L82-M93 HydrophobicContact CD1-SD 3.9Å; L87-M93 HydrophobicContact CD2-CE 4.22Å; L87-M93 HydrophobicContact CD2-SD 4.17Å; S89-M93 WeakPolarHBondContact O-CG 3.35Å; S89-M93 PolarHBondContact O-N 3.12Å; M93-K117 PolarHBondContact O-NZ 3.43Å
94R97.8Very high95.5Very high13 Ų1345.2 Ų45.25%0.04922%0.215CC..  trans-62.8149.6178.973.1-60.8177.9-77.6-6.7115.3D75 W79 G116 K117 W144 H146D75-R94 VanDerWaalsContact CG-NH2 3.26Å; D75-R94 IonicContact OD1-CZ 3.54Å; D75-R94 IonicContact OD1-NH2 2.67Å; D75-R94 PolarHBondContact OD1-NH2 3.37Å; D75-R94 IonicContact OD2-CZ 4Å; D75-R94 IonicContact OD2-NH2 3.17Å; D75-R94 PolarHBondContact OD2-NH2 3.23Å; W79-R94 VanDerWaalsContact CD1-CZ 3.48Å; W79-R94 HydrophobicContact CZ2-CG 3.94Å; R94-G116 PolarHBondContact NH1-O 3.36Å; R94-K117 WeakPolarHBondContact O-CB 3.4Å; R94-W144 CarbonylContact C-O 3.6Å; R94-W144 VanDerWaalsContact CA-O 3.31Å; R94-W144 WeakPolarHBondContact CA-O 3.19Å; R94-W144 HydrophobicContact CB-CD2 3.43Å; R94-W144 VanDerWaalsContact CB-CD2 3.43Å; R94-W144 HydrophobicContact CB-CE3 3.74Å; R94-W144 HydrophobicContact CB-CG 3.81Å; R94-W144 HydrophobicContact CB-CH2 4.2Å; R94-W144 HydrophobicContact CB-CZ2 3.96Å; R94-W144 HydrophobicContact CB-CZ3 4.09Å; R94-W144 HydrophobicContact CG-CH2 4.49Å; R94-W144 HydrophobicContact CG-CZ2 4.39Å; R94-H146 HydrophobicContact CB-CB 4.13Å; R94-H146 HydrophobicContact CG-CB 3.76Å
95W98.5Very high95.3Very high4 Ų443.7 Ų43.72%0.01521%0.21CC..BIsolated β-bridgetrans-86.6146.1156.3-60.390.1000110.2F9 K117 V119 F134 K138 E143 W144 V145 H146F9-W95 HydrophobicContact CD1-CH2 4.45Å; F9-W95 AromaticContact CD1-CZ3 3.98Å; F9-W95 HydrophobicContact CD1-CZ3 3.98Å; F9-W95 HydrophobicContact CE1-CE3 4.38Å; F9-W95 HydrophobicContact CE1-CH2 4.33Å; F9-W95 AromaticContact CE1-CZ3 3.49Å; F9-W95 HydrophobicContact CE1-CZ3 3.49Å; F9-W95 VanDerWaalsContact CE1-CZ3 3.49Å; F9-W95 HydrophobicContact CZ-CE3 4.42Å; F9-W95 AromaticContact CZ-CZ3 3.94Å; F9-W95 HydrophobicContact CZ-CZ3 3.94Å; W95-K117 WeakPolarHBondContact CA-O 3.32Å; W95-K117 HydrophobicContact CD2-CB 3.86Å; W95-K117 HydrophobicContact CD2-CD 3.86Å; W95-K117 HydrophobicContact CD2-CG 4.03Å; W95-K117 HydrophobicContact CE3-CB 3.51Å; W95-K117 HydrophobicContact CE3-CD 4.21Å; W95-K117 HydrophobicContact CE3-CG 3.85Å; W95-K117 HydrophobicContact CG-CB 4.38Å; W95-K117 HydrophobicContact CG-CD 4.27Å; W95-K117 HydrophobicContact CH2-CD 4.37Å; W95-K117 HydrophobicContact CH2-CG 4.02Å; W95-K117 HydrophobicContact CZ2-CD 4.03Å; W95-K117 HydrophobicContact CZ2-CG 4.19Å; W95-K117 HydrophobicContact CZ3-CB 3.89Å; W95-K117 HydrophobicContact CZ3-CD 4.44Å; W95-K117 HydrophobicContact CZ3-CG 3.83Å; W95-V119 HydrophobicContact CE3-CG2 3.96Å; W95-F134 HydrophobicContact CD2-CE1 4.34Å; W95-F134 AromaticContact CE3-CE1 3.77Å; W95-F134 HydrophobicContact CE3-CE1 3.77Å; W95-F134 HydrophobicContact CE3-CZ 4.4Å; W95-F134 HydrophobicContact CH2-CE1 4.27Å; W95-F134 HydrophobicContact CH2-CZ 4.09Å; W95-F134 AromaticContact CZ3-CE1 3.73Å; W95-F134 HydrophobicContact CZ3-CE1 3.73Å; W95-F134 AromaticContact CZ3-CZ 3.92Å; W95-F134 HydrophobicContact CZ3-CZ 3.92Å; W95-K138 HydrophobicContact CD2-CG 4.14Å; W95-K138 HydrophobicContact CG-CB 4.49Å; W95-K138 HydrophobicContact CG-CG 4.05Å; W95-K138 HydrophobicContact CZ2-CD 4.22Å; W95-E143 PolarHBondContact NE1-OE2 3.12Å; W95-W144 PolarHBondContact N-O 3.09Å; W95-V145 HydrophobicContact CB-CG2 4.41Å; W95-V145 CarbonylContact O-C 3.47Å; W95-V145 VanDerWaalsContact O-CA 3.29Å; W95-V145 WeakPolarHBondContact O-CA 3.46Å; W95-H146 PolarHBondContact O-N 2.98Å
96T98.1Very high95.2Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-140.3124.6-179.2-175.60000111.4T98 K117 C118 V119 H146T96-T98 HydrophobicContact CG2-CG2 4.11Å; T96-K117 PolarHBondContact N-O 3.25Å; T96-C118 HydrophobicContact CG2-CB 4.28Å; T96-C118 CarbonylContact O-C 3.59Å; T96-C118 VanDerWaalsContact O-CA 3.31Å; T96-C118 WeakPolarHBondContact O-CA 3.33Å; T96-V119 PolarHBondContact O-N 2.96Å; T96-H146 WeakPolarHBondContact CA-O 3.42Å; T96-H146 PolarHBondContact OG1-O 3.26Å
97P97.4Very high95Very high26 Ų2649.8 Ų49.817%0.16924%0.237CC..EExtended strand (participates in β ladder)trans-66.3135.4171.9-12.926.4000110.9V119 V121 V135 H146 I147P97-V119 CarbonylContact C-O 3.57Å; P97-V119 WeakPolarHBondContact CA-O 3.43Å; P97-V121 HydrophobicContact CB-CG2 3.77Å; P97-V135 HydrophobicContact CG-CG2 4.07Å; P97-H146 WeakPolarHBondContact CD-O 3.48Å; P97-I147 HydrophobicContact CG-CG1 4.45Å
98T95.6Very high94.8Very high25 Ų2556.8 Ų56.815%0.15327%0.274CS..EExtended strand (participates in β ladder)trans-139.9148.9-174.348.20000110.6T96 S100 F104 C118 V119 V121T96-T98 HydrophobicContact CG2-CG2 4.11Å; T98-S100 PolarHBondContact O-N 2.89Å; T98-F104 VanDerWaalsContact OG1-CE2 3.32Å; T98-F104 WeakPolarHBondContact OG1-CE2 3.43Å; T98-C118 HydrophobicContact CG2-CB 3.74Å; T98-V119 PolarHBondContact N-O 2.71Å; T98-V119 PolarHBondContact OG1-O 3.22Å; T98-V119 VanDerWaalsContact OG1-O 3.08Å; T98-V121 PolarHBondContact O-N 3.45Å
99A93.8Very high94.6Very high16 Ų1655.1 Ų55.113%0.13227%0.27CS..EExtended strand (participates in β ladder)trans-67.6122.3-17500000110.7D101 I102 C103A99-D101 VanDerWaalsContact C-N 3.31Å; A99-D101 VanDerWaalsContact CB-OD1 3.26Å; A99-D101 WeakPolarHBondContact CB-OD1 3.26Å; A99-D101 PolarHBondContact O-N 3.08Å; A99-I102 HydrophobicContact CB-CB 4.39Å; A99-I102 HydrophobicContact CB-CD1 4.07Å; A99-I102 HydrophobicContact CB-CG1 4.18Å; A99-I102 PolarHBondContact O-N 3.13Å; A99-I102 VanDerWaalsContact O-N 3.16Å; A99-C103 PolarHBondContact O-N 2.83Å
100S93.7Very high94.6Very high18 Ų1853.6 Ų53.613%0.12626%0.26CS..Hα-helixtrans-63-37.9-175.757.50000113L3 T98 I102 F104 V121 C122L3-S100 VanDerWaalsContact CD2-CB 3.43Å; T98-S100 PolarHBondContact O-N 2.89Å; S100-I102 PolarHBondContact O-N 2.79Å; S100-F104 CarbonylContact O-C 3.08Å; S100-F104 VanDerWaalsContact O-C 3.28Å; S100-F104 VanDerWaalsContact O-CA 3.29Å; S100-F104 WeakPolarHBondContact O-CA 3.46Å; S100-F104 WeakPolarHBondContact O-CB 3.35Å; S100-F104 PolarHBondContact O-N 3.02Å; S100-V121 PolarHBondContact N-O 2.65Å; S100-V121 PolarHBondContact OG-O 2.98Å; S100-C122 PolarHBondContact OG-SG 2.95Å
101D91.4Very high94.6Very high83 Ų8353.8 Ų53.844%0.44427%0.266SS..Hα-helixtrans-66.9-8.1177.257.7-34.3000113.9A99 T105 R123A99-D101 VanDerWaalsContact C-N 3.31Å; A99-D101 VanDerWaalsContact CB-OD1 3.26Å; A99-D101 WeakPolarHBondContact CB-OD1 3.26Å; A99-D101 PolarHBondContact O-N 3.08Å; D101-T105 WeakPolarHBondContact O-CG2 3.16Å; D101-R123 IonicContact OD2-NH1 3.21Å
102I90.6Very high94.7Very high97 Ų9749.8 Ų49.850%0.49725%0.249SC..Hα-helixtrans-114.4-55.1177.9-57.3179000110.4A99 S100A99-I102 HydrophobicContact CB-CB 4.39Å; A99-I102 HydrophobicContact CB-CD1 4.07Å; A99-I102 HydrophobicContact CB-CG1 4.18Å; A99-I102 PolarHBondContact O-N 3.13Å; A99-I102 VanDerWaalsContact O-N 3.16Å; S100-I102 PolarHBondContact O-N 2.79Å
103C92.5Very high94.8Very high16 Ų1649.5 Ų49.511%0.10825%0.248CC..Hα-helixtrans-89.3-15.9-171.7-64.40000113.4A99 H109 F113A99-C103 PolarHBondContact O-N 2.83Å; C103-H109 WeakPolarHBondContact O-CB 3.5Å; C103-F113 HydrophobicContact CB-CB 4.35Å; C103-F113 HydrophobicContact CB-CD1 4.06Å; C103-F113 HydrophobicContact CB-CD2 3.72Å; C103-F113 HydrophobicContact CB-CE1 4.26Å; C103-F113 HydrophobicContact CB-CE2 3.93Å; C103-F113 HydrophobicContact CB-CG 3.78Å; C103-F113 HydrophobicContact CB-CZ 4.2Å; C103-F113 WeakPolarHBondContact O-CD2 3.4Å
104F94.5Very high94.8Very high1 Ų149.2 Ų49.20%0.00425%0.246CC..SBendtrans-128.337.7-170.3-63.4-91.6000112.4V5 P8 T98 S100 F113 C118 P120V5-F104 VanDerWaalsContact CG1-O 3.3Å; V5-F104 WeakPolarHBondContact CG1-O 3.44Å; V5-F104 HydrophobicContact CG2-CB 3.81Å; V5-F104 HydrophobicContact CG2-CD1 4.28Å; V5-F104 WeakPolarHBondContact CG2-O 3.49Å; P8-F104 HydrophobicContact CG-CD1 4.36Å; P8-F104 HydrophobicContact CG-CE1 3.88Å; T98-F104 VanDerWaalsContact OG1-CE2 3.32Å; T98-F104 WeakPolarHBondContact OG1-CE2 3.43Å; S100-F104 CarbonylContact O-C 3.08Å; S100-F104 VanDerWaalsContact O-C 3.28Å; S100-F104 VanDerWaalsContact O-CA 3.29Å; S100-F104 WeakPolarHBondContact O-CA 3.46Å; S100-F104 WeakPolarHBondContact O-CB 3.35Å; S100-F104 PolarHBondContact O-N 3.02Å; F104-F113 HydrophobicContact CE1-CB 4.25Å; F104-F113 HydrophobicContact CE2-CB 4.28Å; F104-F113 HydrophobicContact CZ-CB 3.8Å; F104-C118 HydrophobicContact CZ-CB 4.34Å; F104-C118 WeakPolarHBondContact CZ-O 3.48Å; F104-P120 HydrophobicContact CB-CB 4.45Å; F104-P120 HydrophobicContact CD1-CB 4.07Å; F104-P120 HydrophobicContact CD1-CG 4.32Å; F104-P120 HydrophobicContact CD2-CB 3.61Å; F104-P120 HydrophobicContact CE1-CB 4.26Å; F104-P120 HydrophobicContact CE1-CG 4.27Å; F104-P120 HydrophobicContact CE2-CB 3.81Å; F104-P120 HydrophobicContact CG-CB 3.76Å; F104-P120 HydrophobicContact CG-CG 4.5Å; F104-P120 HydrophobicContact CZ-CB 4.14Å; F104-P120 HydrophobicContact CZ-CG 4.37Å
105T92.2Very high94.7Very high48 Ų4852.1 Ų52.129%0.29426%0.257SS..SBendtrans-81.9-19.818051.40000113.8D101 H109D101-T105 WeakPolarHBondContact O-CG2 3.16Å; T105-H109 PolarHBondContact OG1-ND1 2.68Å
106R93.8Very high94.7Very high174 Ų17452.5 Ų52.566%0.65726%0.263SS*.SBendtrans-145.2152.3-179.7-61.1-177.5-178.7178.4-0.3110L108 H109 S110R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 3.31Å; R106-H109 WeakPolarHBondContact O-CB 3.39Å; R106-H109 PolarHBondContact O-N 2.92Å; R106-S110 WeakPolarHBondContact O-CB 3.41Å; R106-S110 PolarHBondContact O-N 2.8Å
107E93.3Very high94.7Very high100 Ų10052.6 Ų52.647%0.46726%0.263SS..Hα-helixtrans-59.4-34.9-179.1-69.9-65.3171.800113V5 R6 S110 C111V5-E107 HydrophobicContact CG1-CG 4.49Å; R6-E107 PolarHBondContact N-OE1 3.04Å; E107-S110 WeakPolarHBondContact O-CB 3.25Å; E107-S110 PolarHBondContact O-N 2.88Å; E107-C111 WeakPolarHBondContact O-CB 3.27Å; E107-C111 PolarHBondContact O-N 3.42Å
108L93.8Very high94.7Very high147 Ų14751.8 Ų51.877%0.7726%0.258SS*.Hα-helixtrans-64.2-44.1174-68.6177.4000112.4R106 C111 F112R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 3.31Å; L108-C111 PolarHBondContact O-N 3.48Å; L108-F112 PolarHBondContact O-N 3.32Å
109H93.4Very high94.8Very high74 Ų7450.6 Ų50.634%0.34325%0.251SS..Hα-helixtrans-63.8-46.5175.6-59.9170.7000110.2C103 T105 R106 C111 F112 F113C103-H109 WeakPolarHBondContact O-CB 3.5Å; T105-H109 PolarHBondContact OG1-ND1 2.68Å; R106-H109 WeakPolarHBondContact O-CB 3.39Å; R106-H109 PolarHBondContact O-N 2.92Å; H109-C111 PolarHBondContact O-N 2.83Å; H109-F112 PolarHBondContact O-N 2.8Å; H109-F112 VanDerWaalsContact O-N 3.07Å; H109-F113 HydrophobicContact CB-CD2 4.2Å; H109-F113 HydrophobicContact CB-CE2 4.39Å; H109-F113 VanDerWaalsContact O-CD2 3.29Å; H109-F113 WeakPolarHBondContact O-CD2 3.34Å; H109-F113 PolarHBondContact O-N 2.93Å
110S94.9Very high94.9Very high2 Ų249.9 Ų49.91%0.01425%0.245CC..Hα-helixtrans-52.1-44.9175.4-172.90000111.7P8 R106 E107 S114P8-S110 WeakPolarHBondContact CB-OG 3.4Å; R106-S110 WeakPolarHBondContact O-CB 3.41Å; R106-S110 PolarHBondContact O-N 2.8Å; E107-S110 WeakPolarHBondContact O-CB 3.25Å; E107-S110 PolarHBondContact O-N 2.88Å; S110-S114 WeakPolarHBondContact O-CB 3.4Å; S110-S114 PolarHBondContact O-N 3.29Å; S110-S114 PolarHBondContact O-OG 3.05Å
111C94.8Very high95Very high41 Ų4150.2 Ų50.228%0.27725%0.246SC..Hα-helixtrans-66.6-40.7178.3-156.10000113E107 L108 H109 S114 R115E107-C111 WeakPolarHBondContact O-CB 3.27Å; E107-C111 PolarHBondContact O-N 3.42Å; L108-C111 PolarHBondContact O-N 3.48Å; H109-C111 PolarHBondContact O-N 2.83Å; C111-S114 PolarHBondContact O-OG 3.49Å; C111-R115 WeakPolarHBondContact O-CB 3.45Å; C111-R115 WeakPolarHBondContact O-CG 3.22Å; C111-R115 PolarHBondContact O-N 3.33Å; C111-R115 PolarHBondContact SG-NH1 2.77Å
112F96.7Very high95.2Very high89 Ų8946.8 Ų46.839%0.3923%0.229SC..Hα-helixtrans-67.3-54.8177174.5-99.7000111.9I24 V28 L108 H109 S114 R115 G116I24-F112 HydrophobicContact CD1-CD2 4.23Å; I24-F112 HydrophobicContact CD1-CE2 4.36Å; I24-F112 HydrophobicContact CG2-CD2 4.15Å; I24-F112 HydrophobicContact CG2-CE2 3.93Å; V28-F112 HydrophobicContact CG2-CE2 4.28Å; V28-F112 HydrophobicContact CG2-CZ 3.86Å; L108-F112 PolarHBondContact O-N 3.32Å; H109-F112 PolarHBondContact O-N 2.8Å; H109-F112 VanDerWaalsContact O-N 3.07Å; F112-S114 PolarHBondContact O-N 3.39Å; F112-R115 PolarHBondContact O-N 3.09Å; F112-G116 PolarHBondContact O-N 3.33Å; F112-G116 VanDerWaalsContact O-N 3.07Å
113F96.9Very high95.1Very high58 Ų5847.5 Ų47.525%0.25423%0.225SC..Hα-helixtrans-66.3-38.9-175.7-79-70.8000112.2C103 F104 H109 R115 G116 K117 C118C103-F113 HydrophobicContact CB-CB 4.35Å; C103-F113 HydrophobicContact CB-CD1 4.06Å; C103-F113 HydrophobicContact CB-CD2 3.72Å; C103-F113 HydrophobicContact CB-CE1 4.26Å; C103-F113 HydrophobicContact CB-CE2 3.93Å; C103-F113 HydrophobicContact CB-CG 3.78Å; C103-F113 HydrophobicContact CB-CZ 4.2Å; C103-F113 WeakPolarHBondContact O-CD2 3.4Å; F104-F113 HydrophobicContact CE1-CB 4.25Å; F104-F113 HydrophobicContact CE2-CB 4.28Å; F104-F113 HydrophobicContact CZ-CB 3.8Å; H109-F113 HydrophobicContact CB-CD2 4.2Å; H109-F113 HydrophobicContact CB-CE2 4.39Å; H109-F113 VanDerWaalsContact O-CD2 3.29Å; H109-F113 WeakPolarHBondContact O-CD2 3.34Å; H109-F113 PolarHBondContact O-N 2.93Å; F113-R115 VanDerWaalsContact C-N 3.34Å; F113-R115 PolarHBondContact O-N 2.92Å; F113-G116 CarbonylContact O-C 3.59Å; F113-G116 WeakPolarHBondContact O-CA 3.47Å; F113-G116 PolarHBondContact O-N 3.01Å; F113-K117 PolarHBondContact O-N 2.85Å; F113-C118 HydrophobicContact CB-CB 3.95Å; F113-C118 HydrophobicContact CD1-CB 4.27Å; F113-C118 VanDerWaalsContact O-CB 3.26Å; F113-C118 WeakPolarHBondContact O-CB 3.27Å; F113-C118 PolarHBondContact O-N 3.5Å
114S96.9Very high95Very high1 Ų150.6 Ų50.61%0.00726%0.26CS..Hα-helixtrans-65.4-34.117560.80000113.3W17 S110 C111 F112 G116 K117W17-S114 WeakPolarHBondContact CH2-OG 3.41Å; S110-S114 WeakPolarHBondContact O-CB 3.4Å; S110-S114 PolarHBondContact O-N 3.29Å; S110-S114 PolarHBondContact O-OG 3.05Å; C111-S114 PolarHBondContact O-OG 3.49Å; F112-S114 PolarHBondContact O-N 3.39Å; S114-G116 VanDerWaalsContact C-N 3.29Å; S114-K117 WeakPolarHBondContact O-CA 3.5Å; S114-K117 PolarHBondContact O-N 3.33Å
115R97.1Very high94.8Very high74 Ų7453.8 Ų53.828%0.27928%0.277SS..Hα-helixtrans-67.9-29.6170.8-77.8-177.1-178.6117.45.4112.5W17 S20 S21 I24 C111 F112 F113 K117W17-R115 HydrophobicContact CH2-CG 4.25Å; W17-R115 HydrophobicContact CZ2-CG 4.32Å; S20-R115 PolarHBondContact OG-NE 2.72Å; S20-R115 VanDerWaalsContact OG-NE 3.1Å; S21-R115 WeakPolarHBondContact CA-O 3.25Å; S21-R115 WeakPolarHBondContact CB-O 3.27Å; S21-R115 PolarHBondContact OG-O 2.67Å; I24-R115 HydrophobicContact CB-CB 3.99Å; I24-R115 HydrophobicContact CG1-CB 3.86Å; I24-R115 HydrophobicContact CG2-CB 4.19Å; C111-R115 WeakPolarHBondContact O-CB 3.45Å; C111-R115 WeakPolarHBondContact O-CG 3.22Å; C111-R115 PolarHBondContact O-N 3.33Å; C111-R115 PolarHBondContact SG-NH1 2.77Å; F112-R115 PolarHBondContact O-N 3.09Å; F113-R115 VanDerWaalsContact C-N 3.34Å; F113-R115 PolarHBondContact O-N 2.92Å; R115-K117 PolarHBondContact O-N 3.02Å
116G97.2Very high94.8Very high13 Ų1353.8 Ų53.813%0.13429%0.286CS..THydrogen-bonded Turntrans-73.83.2167.400000114.8R94 F112 F113 S114 C118R94-G116 PolarHBondContact NH1-O 3.36Å; F112-G116 PolarHBondContact O-N 3.33Å; F112-G116 VanDerWaalsContact O-N 3.07Å; F113-G116 CarbonylContact O-C 3.59Å; F113-G116 WeakPolarHBondContact O-CA 3.47Å; F113-G116 PolarHBondContact O-N 3.01Å; S114-G116 VanDerWaalsContact C-N 3.29Å; G116-C118 PolarHBondContact O-N 3.42Å
117K97.4Very high94.8Very high1 Ų146.9 Ų46.90%0.00426%0.263CS..THydrogen-bonded Turntrans61.924.8-173.9-64-173.7173.8-169.80114.6M25 Y90 M93 R94 W95 T96 F113 S114 R115M25-K117 HydrophobicContact CE-CD 4.38Å; M25-K117 HydrophobicContact SD-CB 4.41Å; M25-K117 HydrophobicContact SD-CD 3.83Å; M25-K117 HydrophobicContact SD-CG 3.81Å; Y90-K117 WeakPolarHBondContact O-CE 3.46Å; Y90-K117 PolarHBondContact O-NZ 2.67Å; M93-K117 PolarHBondContact O-NZ 3.43Å; R94-K117 WeakPolarHBondContact O-CB 3.4Å; W95-K117 WeakPolarHBondContact CA-O 3.32Å; W95-K117 HydrophobicContact CD2-CB 3.86Å; W95-K117 HydrophobicContact CD2-CD 3.86Å; W95-K117 HydrophobicContact CD2-CG 4.03Å; W95-K117 HydrophobicContact CE3-CB 3.51Å; W95-K117 HydrophobicContact CE3-CD 4.21Å; W95-K117 HydrophobicContact CE3-CG 3.85Å; W95-K117 HydrophobicContact CG-CB 4.38Å; W95-K117 HydrophobicContact CG-CD 4.27Å; W95-K117 HydrophobicContact CH2-CD 4.37Å; W95-K117 HydrophobicContact CH2-CG 4.02Å; W95-K117 HydrophobicContact CZ2-CD 4.03Å; W95-K117 HydrophobicContact CZ2-CG 4.19Å; W95-K117 HydrophobicContact CZ3-CB 3.89Å; W95-K117 HydrophobicContact CZ3-CD 4.44Å; W95-K117 HydrophobicContact CZ3-CG 3.83Å; T96-K117 PolarHBondContact N-O 3.25Å; F113-K117 PolarHBondContact O-N 2.85Å; S114-K117 WeakPolarHBondContact O-CA 3.5Å; S114-K117 PolarHBondContact O-N 3.33Å; R115-K117 PolarHBondContact O-N 3.02Å
118C97.9Very high95Very high9 Ų947.8 Ų47.86%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-78.2127.3170.1-57.60000109.6F9 T96 T98 F104 F113 G116F9-C118 WeakPolarHBondContact CZ-O 3.19Å; T96-C118 HydrophobicContact CG2-CB 4.28Å; T96-C118 CarbonylContact O-C 3.59Å; T96-C118 VanDerWaalsContact O-CA 3.31Å; T96-C118 WeakPolarHBondContact O-CA 3.33Å; T98-C118 HydrophobicContact CG2-CB 3.74Å; F104-C118 HydrophobicContact CZ-CB 4.34Å; F104-C118 WeakPolarHBondContact CZ-O 3.48Å; F113-C118 HydrophobicContact CB-CB 3.95Å; F113-C118 HydrophobicContact CD1-CB 4.27Å; F113-C118 VanDerWaalsContact O-CB 3.26Å; F113-C118 WeakPolarHBondContact O-CB 3.27Å; F113-C118 PolarHBondContact O-N 3.5Å; G116-C118 PolarHBondContact O-N 3.42Å
119V97.8Very high95Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-103.8127.5-176.2-177.60000109W7 F9 W95 T96 P97 T98 V121 G131 F134 V135W7-V119 HydrophobicContact CH2-CG1 4.2Å; F9-V119 HydrophobicContact CE2-CB 4.17Å; F9-V119 HydrophobicContact CE2-CG1 4.03Å; F9-V119 HydrophobicContact CE2-CG2 3.96Å; F9-V119 HydrophobicContact CZ-CB 4.41Å; F9-V119 HydrophobicContact CZ-CG2 3.92Å; W95-V119 HydrophobicContact CE3-CG2 3.96Å; T96-V119 PolarHBondContact O-N 2.96Å; P97-V119 CarbonylContact C-O 3.57Å; P97-V119 WeakPolarHBondContact CA-O 3.43Å; T98-V119 PolarHBondContact N-O 2.71Å; T98-V119 PolarHBondContact OG1-O 3.22Å; T98-V119 VanDerWaalsContact OG1-O 3.08Å; V119-V121 PolarHBondContact O-N 3.34Å; V119-G131 WeakPolarHBondContact CG1-O 3.34Å; V119-F134 HydrophobicContact CG1-CD1 3.94Å; V119-F134 HydrophobicContact CG2-CD1 3.8Å; V119-F134 HydrophobicContact CG2-CE1 3.87Å; V119-V135 HydrophobicContact CB-CG2 4.09Å; V119-V135 HydrophobicContact CG1-CG2 4.01Å; V119-V135 HydrophobicContact CG2-CG2 4.03Å
120P97.2Very high95.1Very high2 Ų244 Ų441%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-71.6131-178.227.7-31.3000111.1L3 W7 P8 F104 G131L3-P120 HydrophobicContact CD1-CB 4.3Å; L3-P120 HydrophobicContact CD1-CG 3.99Å; L3-P120 HydrophobicContact CD2-CB 3.73Å; L3-P120 HydrophobicContact CD2-CG 4.34Å; W7-P120 HydrophobicContact CE3-CG 4.04Å; W7-P120 HydrophobicContact CH2-CG 4.44Å; W7-P120 HydrophobicContact CZ3-CG 3.67Å; P8-P120 HydrophobicContact CG-CG 4.41Å; F104-P120 HydrophobicContact CB-CB 4.45Å; F104-P120 HydrophobicContact CD1-CB 4.07Å; F104-P120 HydrophobicContact CD1-CG 4.32Å; F104-P120 HydrophobicContact CD2-CB 3.61Å; F104-P120 HydrophobicContact CE1-CB 4.26Å; F104-P120 HydrophobicContact CE1-CG 4.27Å; F104-P120 HydrophobicContact CE2-CB 3.81Å; F104-P120 HydrophobicContact CG-CB 3.76Å; F104-P120 HydrophobicContact CG-CG 4.5Å; F104-P120 HydrophobicContact CZ-CB 4.14Å; F104-P120 HydrophobicContact CZ-CG 4.37Å; P120-G131 VanDerWaalsContact O-CA 3.32Å; P120-G131 WeakPolarHBondContact O-CA 3.43Å
121V95.8Very high95.2Very high24 Ų2444 Ų4415%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-128.7126.6174.5165.60000108.9P97 T98 S100 V119 M132P97-V121 HydrophobicContact CB-CG2 3.77Å; T98-V121 PolarHBondContact O-N 3.45Å; S100-V121 PolarHBondContact N-O 2.65Å; S100-V121 PolarHBondContact OG-O 2.98Å; V119-V121 PolarHBondContact O-N 3.34Å; V121-M132 HydrophobicContact CG2-CG 4.38Å; V121-M132 HydrophobicContact CG2-SD 4.11Å
122C93.6Very high95.4Very high12 Ų1242.7 Ų42.78%0.08123%0.23CC..  trans-84121.2177.3-62.90000109.4M1 S100 D125 Q129M1-C122 PolarHBondContact O-SG 3.47Å; S100-C122 PolarHBondContact OG-SG 2.95Å; C122-D125 HydrophobicContact CB-CB 4.05Å; C122-D125 WeakPolarHBondContact CB-OD2 3.44Å; C122-Q129 PolarHBondContact O-NE2 2.83Å; C122-Q129 VanDerWaalsContact O-NE2 3.07Å
123R90.4Very high95.4Very high111 Ų11141.8 Ų41.842%0.41923%0.229SC..THydrogen-bonded Turntrans-67.7137.9173.8-69.8174.6171.2161.4-1.1109.6D101 D125D101-R123 IonicContact OD2-NH1 3.21Å; R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 PolarHBondContact O-N 3.09Å
124G88.8Confident95.5Very high81 Ų8140 Ų4084%0.83522%0.222SC*.THydrogen-bonded Turntrans89.5-18-179.100000115G126G124-G126 PolarHBondContact O-N 2.97Å; G124-G126 VanDerWaalsContact O-N 3.14Å
125D90.6Very high95.5Very high69 Ų6940 Ų4037%0.36922%0.221SC..SBendtrans-80.99.6-177.2-72.54000114M1 C122 R123M1-D125 PolarHBondContact N-OD1 3.1Å; M1-D125 PolarHBondContact N-OD2 3.41Å; C122-D125 HydrophobicContact CB-CB 4.05Å; C122-D125 WeakPolarHBondContact CB-OD2 3.44Å; R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 PolarHBondContact O-N 3.09Å
126G92.6Very high95.6Very high48 Ų4837.3 Ų37.350%0.49521%0.213SC..  trans73.5-171.5-179.600000113.8G124 Q129G124-G126 PolarHBondContact O-N 2.97Å; G124-G126 VanDerWaalsContact O-N 3.14Å; G126-Q129 PolarHBondContact O-NE2 2.86Å
127V94.6Very high95.6Very high28 Ų2840.8 Ų40.817%0.1723%0.225CC..SBendtrans-80.7-20.8-176.6-62.20000113M132 W164 R168V127-M132 WeakPolarHBondContact O-CB 3.3Å; V127-W164 HydrophobicContact CG1-CB 3.97Å; V127-R168 HydrophobicContact CB-CB 4.39Å; V127-R168 VanDerWaalsContact O-CD 3.27Å; V127-R168 WeakPolarHBondContact O-CD 3.36Å; V127-R168 PolarHBondContact O-NH1 2.7Å
128Y96Very high95.7Very high119 Ų11941.5 Ų41.547%0.46723%0.229SC..  trans-96.594.2-179.4-68.8-64.4000110E172 R233Y128-E172 WeakPolarHBondContact CE1-OE1 3.45Å; Y128-E172 PolarHBondContact OH-OE1 2.86Å; Y128-R233 VanDerWaalsContact CE2-NH1 3.27Å; Y128-R233 PolarHBondContact OH-NH1 3.24Å
129Q95.2Very high95.7Very high26 Ų2641.1 Ų41.112%0.12123%0.226CC..SBendtrans-154.6155.9-179.357.6175.7-72.700109.9C122 G126 G131 M132 D133C122-Q129 PolarHBondContact O-NE2 2.83Å; C122-Q129 VanDerWaalsContact O-NE2 3.07Å; G126-Q129 PolarHBondContact O-NE2 2.86Å; Q129-G131 PolarHBondContact O-N 2.97Å; Q129-G131 VanDerWaalsContact O-N 3.09Å; Q129-M132 HydrophobicContact CG-CB 4.04Å; Q129-M132 HydrophobicContact CG-CG 3.67Å; Q129-M132 PolarHBondContact O-N 2.84Å; Q129-D133 VanDerWaalsContact O-CG 3.25Å; Q129-D133 PolarHBondContact O-N 2.98Å
130K95.6Very high95.7Very high117 Ų11743.7 Ų43.751%0.50924%0.24SC..Hα-helixtrans-51.7-39.3-174.7-168.9178.1-177-1790113.9W7 D133 F134W7-K130 HydrophobicContact CD2-CD 3.83Å; W7-K130 VanDerWaalsContact CD2-CE 3.42Å; W7-K130 HydrophobicContact CD2-CG 4.38Å; W7-K130 HydrophobicContact CE3-CD 3.68Å; W7-K130 HydrophobicContact CE3-CG 4.09Å; W7-K130 HydrophobicContact CG-CD 4.37Å; W7-K130 HydrophobicContact CH2-CD 4.39Å; W7-K130 HydrophobicContact CH2-CG 3.91Å; W7-K130 HydrophobicContact CZ2-CG 4.21Å; W7-K130 HydrophobicContact CZ3-CB 4.25Å; W7-K130 HydrophobicContact CZ3-CD 3.96Å; W7-K130 HydrophobicContact CZ3-CG 3.84Å; K130-D133 PolarHBondContact O-N 3.09Å; K130-F134 WeakPolarHBondContact O-CB 3.43Å; K130-F134 PolarHBondContact O-N 3.3Å
131G96.5Very high95.7Very high2 Ų249 Ų492%0.02126%0.263CS..Hα-helixtrans-58.8-49174.800000113.2V119 P120 Q129 F134 V135V119-G131 WeakPolarHBondContact CG1-O 3.34Å; P120-G131 VanDerWaalsContact O-CA 3.32Å; P120-G131 WeakPolarHBondContact O-CA 3.43Å; Q129-G131 PolarHBondContact O-N 2.97Å; Q129-G131 VanDerWaalsContact O-N 3.09Å; G131-F134 PolarHBondContact O-N 3.3Å; G131-V135 VanDerWaalsContact O-CG2 3.25Å; G131-V135 WeakPolarHBondContact O-CG2 3.15Å; G131-V135 PolarHBondContact O-N 3.34Å; G131-V135 VanDerWaalsContact O-N 3.09Å
132M97.7Very high95.8Very high13 Ų1348.1 Ų48.16%0.06426%0.258CS..Hα-helixtrans-70.4-35.7179.9-66.2-59.7-61.100111.9V121 V127 Q129 V135 L136 R168 L169V121-M132 HydrophobicContact CG2-CG 4.38Å; V121-M132 HydrophobicContact CG2-SD 4.11Å; V127-M132 WeakPolarHBondContact O-CB 3.3Å; Q129-M132 HydrophobicContact CG-CB 4.04Å; Q129-M132 HydrophobicContact CG-CG 3.67Å; Q129-M132 PolarHBondContact O-N 2.84Å; M132-V135 PolarHBondContact O-N 3.22Å; M132-L136 WeakPolarHBondContact O-CB 3.38Å; M132-L136 PolarHBondContact O-N 3.11Å; M132-R168 VanDerWaalsContact CB-NH1 3.29Å; M132-L169 HydrophobicContact CE-CD1 3.67Å; M132-L169 HydrophobicContact CE-CD2 3.96Å; M132-L169 HydrophobicContact CE-CG 3.65Å
133D97.9Very high96Very high69 Ų6949.9 Ų49.937%0.36927%0.265SS..Hα-helixtrans-64.6-42.2175.8-56.5-23.7000111.2Q129 K130 L136 E137 R168Q129-D133 VanDerWaalsContact O-CG 3.25Å; Q129-D133 PolarHBondContact O-N 2.98Å; K130-D133 PolarHBondContact O-N 3.09Å; D133-L136 WeakPolarHBondContact O-CB 3.46Å; D133-L136 PolarHBondContact O-N 3.24Å; D133-E137 PolarHBondContact O-N 3.19Å; D133-R168 IonicContact OD1-CZ 3.42Å; D133-R168 IonicContact OD1-NH1 2.9Å; D133-R168 PolarHBondContact OD1-NH1 3.21Å; D133-R168 IonicContact OD1-NH2 3.02Å; D133-R168 PolarHBondContact OD1-NH2 2.98Å
134F97.9Very high96.4Very high21 Ų2144.8 Ų44.89%0.09225%0.246CC..Hα-helixtrans-62.7-42.7174.7-179.8-92.3000111.8W7 F9 W95 V119 K130 G131 L136 E137 K138W7-F134 HydrophobicContact CH2-CB 3.98Å; W7-F134 HydrophobicContact CH2-CG 4.33Å; W7-F134 HydrophobicContact CZ2-CB 3.82Å; W7-F134 AromaticContact CZ2-CD2 3.83Å; W7-F134 HydrophobicContact CZ2-CD2 3.83Å; W7-F134 HydrophobicContact CZ2-CE2 4.5Å; W7-F134 AromaticContact CZ2-CG 3.84Å; W7-F134 HydrophobicContact CZ2-CG 3.84Å; F9-F134 HydrophobicContact CB-CE2 3.83Å; F9-F134 HydrophobicContact CB-CZ 3.93Å; F9-F134 HydrophobicContact CD1-CZ 4.04Å; F9-F134 HydrophobicContact CD2-CD1 4.37Å; F9-F134 AromaticContact CD2-CE1 3.97Å; F9-F134 HydrophobicContact CD2-CE1 3.97Å; F9-F134 HydrophobicContact CD2-CE2 4.11Å; F9-F134 AromaticContact CD2-CZ 3.8Å; F9-F134 HydrophobicContact CD2-CZ 3.8Å; F9-F134 HydrophobicContact CE2-CD1 4.37Å; F9-F134 HydrophobicContact CE2-CE1 4Å; F9-F134 HydrophobicContact CE2-CZ 4.26Å; F9-F134 HydrophobicContact CG-CE1 4.21Å; F9-F134 AromaticContact CG-CE2 3.99Å; F9-F134 HydrophobicContact CG-CE2 3.99Å; F9-F134 AromaticContact CG-CZ 3.63Å; F9-F134 HydrophobicContact CG-CZ 3.63Å; F9-F134 HydrophobicContact CZ-CE1 4.3Å; W95-F134 HydrophobicContact CD2-CE1 4.34Å; W95-F134 AromaticContact CE3-CE1 3.77Å; W95-F134 HydrophobicContact CE3-CE1 3.77Å; W95-F134 HydrophobicContact CE3-CZ 4.4Å; W95-F134 HydrophobicContact CH2-CE1 4.27Å; W95-F134 HydrophobicContact CH2-CZ 4.09Å; W95-F134 AromaticContact CZ3-CE1 3.73Å; W95-F134 HydrophobicContact CZ3-CE1 3.73Å; W95-F134 AromaticContact CZ3-CZ 3.92Å; W95-F134 HydrophobicContact CZ3-CZ 3.92Å; V119-F134 HydrophobicContact CG1-CD1 3.94Å; V119-F134 HydrophobicContact CG2-CD1 3.8Å; V119-F134 HydrophobicContact CG2-CE1 3.87Å; K130-F134 WeakPolarHBondContact O-CB 3.43Å; K130-F134 PolarHBondContact O-N 3.3Å; G131-F134 PolarHBondContact O-N 3.3Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.9Å; F134-E137 WeakPolarHBondContact O-CB 3.48Å; F134-E137 PolarHBondContact O-N 3.22Å; F134-K138 HydrophobicContact CD1-CG 4.3Å; F134-K138 HydrophobicContact CE1-CD 4.38Å; F134-K138 VanDerWaalsContact CE1-CE 3.41Å; F134-K138 HydrophobicContact CE1-CG 4.07Å; F134-K138 HydrophobicContact CZ-CD 4.44Å; F134-K138 WeakPolarHBondContact O-CG 3.06Å; F134-K138 PolarHBondContact O-N 3.37Å
135V98.3Very high96.9Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-63.5-41.2176.9172.50000111P97 V119 G131 M132 E137 K138 L139 V145 L169P97-V135 HydrophobicContact CG-CG2 4.07Å; V119-V135 HydrophobicContact CB-CG2 4.09Å; V119-V135 HydrophobicContact CG1-CG2 4.01Å; V119-V135 HydrophobicContact CG2-CG2 4.03Å; G131-V135 VanDerWaalsContact O-CG2 3.25Å; G131-V135 WeakPolarHBondContact O-CG2 3.15Å; G131-V135 PolarHBondContact O-N 3.34Å; G131-V135 VanDerWaalsContact O-N 3.09Å; M132-V135 PolarHBondContact O-N 3.22Å; V135-E137 VanDerWaalsContact C-N 3.33Å; V135-E137 PolarHBondContact O-N 3.09Å; V135-K138 WeakPolarHBondContact O-CB 3.46Å; V135-K138 PolarHBondContact O-N 3.05Å; V135-L139 PolarHBondContact O-N 2.7Å; V135-V145 HydrophobicContact CG1-CB 4.29Å; V135-V145 HydrophobicContact CG1-CG1 3.5Å; V135-V145 VanDerWaalsContact CG1-CG1 3.5Å; V135-V145 HydrophobicContact CG1-CG2 3.82Å; V135-L169 HydrophobicContact CB-CD2 4.23Å; V135-L169 HydrophobicContact CG1-CD1 3.74Å; V135-L169 HydrophobicContact CG1-CD2 3.86Å; V135-L169 HydrophobicContact CG1-CG 4.48Å
136L98.6Very high97.3Very high19 Ų1937.6 Ų37.610%0.09919%0.188CC..Hα-helixtrans-60.9-42173.9-178.360.2000111.7M132 D133 F134 K138 L139 N140 L169 E172 C173M132-L136 WeakPolarHBondContact O-CB 3.38Å; M132-L136 PolarHBondContact O-N 3.11Å; D133-L136 WeakPolarHBondContact O-CB 3.46Å; D133-L136 PolarHBondContact O-N 3.24Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.9Å; L136-K138 VanDerWaalsContact C-N 3.29Å; L136-K138 PolarHBondContact O-N 3.36Å; L136-L139 PolarHBondContact O-N 2.83Å; L136-N140 PolarHBondContact O-N 3.09Å; L136-L169 HydrophobicContact CB-CD2 3.84Å; L136-L169 HydrophobicContact CD1-CD2 4.38Å; L136-E172 HydrophobicContact CD1-CB 4.27Å; L136-E172 HydrophobicContact CD2-CB 3.74Å; L136-C173 HydrophobicContact CD1-CB 4.25Å
137E98.1Very high97.6Very high85 Ų8536 Ų3640%0.39717%0.168SC..Hα-helixtrans-59.5-39.5174.5-168.2-156.8134.800111.9D133 F134 V135 N140 K141D133-E137 PolarHBondContact O-N 3.19Å; F134-E137 WeakPolarHBondContact O-CB 3.48Å; F134-E137 PolarHBondContact O-N 3.22Å; V135-E137 VanDerWaalsContact C-N 3.33Å; V135-E137 PolarHBondContact O-N 3.09Å; E137-N140 PolarHBondContact O-N 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 2.98Å
138K97.9Very high97.7Very high17 Ų1735.8 Ų35.87%0.07417%0.165CC..Hα-helixtrans-65-42.6174.8-61.4-50.4177.2-169.90112.1W95 F134 V135 L136 N140 K141 E143W95-K138 HydrophobicContact CD2-CG 4.14Å; W95-K138 HydrophobicContact CG-CB 4.49Å; W95-K138 HydrophobicContact CG-CG 4.05Å; W95-K138 HydrophobicContact CZ2-CD 4.22Å; F134-K138 HydrophobicContact CD1-CG 4.3Å; F134-K138 HydrophobicContact CE1-CD 4.38Å; F134-K138 VanDerWaalsContact CE1-CE 3.41Å; F134-K138 HydrophobicContact CE1-CG 4.07Å; F134-K138 HydrophobicContact CZ-CD 4.44Å; F134-K138 WeakPolarHBondContact O-CG 3.06Å; F134-K138 PolarHBondContact O-N 3.37Å; V135-K138 WeakPolarHBondContact O-CB 3.46Å; V135-K138 PolarHBondContact O-N 3.05Å; L136-K138 VanDerWaalsContact C-N 3.29Å; L136-K138 PolarHBondContact O-N 3.36Å; K138-N140 VanDerWaalsContact C-N 3.35Å; K138-N140 PolarHBondContact O-N 2.98Å; K138-K141 WeakPolarHBondContact O-CB 3.42Å; K138-K141 PolarHBondContact O-N 2.85Å; K138-K141 VanDerWaalsContact O-N 3.1Å; K138-E143 HydrophobicContact CB-CB 4.2Å; K138-E143 WeakPolarHBondContact CD-OE1 3.29Å; K138-E143 VanDerWaalsContact O-CB 3.29Å; K138-E143 WeakPolarHBondContact O-CB 3.38Å; K138-E143 PolarHBondContact O-N 3.41Å
139L98.6Very high97.7Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-61.2-44.1174.4-69.9172.5000111.5P62 I64 V135 L136 K141 G142 V145 L169P62-L139 HydrophobicContact CB-CB 4.37Å; P62-L139 HydrophobicContact CB-CD2 3.91Å; P62-L139 WeakPolarHBondContact CB-O 3.37Å; P62-L139 WeakPolarHBondContact CG-O 3.24Å; I64-L139 HydrophobicContact CD1-CD1 3.91Å; I64-L139 HydrophobicContact CD1-CD2 4.28Å; I64-L139 HydrophobicContact CG1-CD1 4.15Å; I64-L139 HydrophobicContact CG1-CD2 3.68Å; V135-L139 PolarHBondContact O-N 2.7Å; L136-L139 PolarHBondContact O-N 2.83Å; L139-K141 PolarHBondContact O-N 3.37Å; L139-G142 WeakPolarHBondContact O-CA 3.31Å; L139-G142 PolarHBondContact O-N 3.12Å; L139-V145 HydrophobicContact CD1-CG2 4.47Å; L139-V145 HydrophobicContact CD2-CB 3.92Å; L139-V145 HydrophobicContact CD2-CG2 3.56Å; L139-V145 HydrophobicContact CG-CB 4.4Å; L139-V145 HydrophobicContact CG-CG2 3.71Å; L139-L169 HydrophobicContact CD1-CB 3.85Å; L139-L169 HydrophobicContact CD1-CD1 4.38Å; L139-L169 HydrophobicContact CD1-CD2 4.15Å; L139-L169 HydrophobicContact CD1-CG 4.34Å
140N98.4Very high97.7Very high55 Ų5529.5 Ų29.529%0.29414%0.14SC..THydrogen-bonded Turntrans-66.4-9.3177.3-68.6-16.2000113.6L136 E137 K138 C173 S174 L175L136-N140 PolarHBondContact O-N 3.09Å; E137-N140 PolarHBondContact O-N 3.39Å; K138-N140 VanDerWaalsContact C-N 3.35Å; K138-N140 PolarHBondContact O-N 2.98Å; N140-C173 WeakPolarHBondContact OD1-CA 3.42Å; N140-C173 PolarHBondContact OD1-SG 3.46Å; N140-S174 PolarHBondContact OD1-N 3.45Å; N140-S174 PolarHBondContact OD1-OG 2.9Å; N140-S174 VanDerWaalsContact OD1-OG 3.11Å; N140-L175 WeakPolarHBondContact O-CD1 3.38Å
141K97.3Very high97.6Very high114 Ų11425.6 Ų25.650%0.49613%0.133SC..THydrogen-bonded Turntrans-97.17.6170.1-70.7172.5174.9176.90113.4E137 K138 L139 E143E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 2.98Å; K138-K141 WeakPolarHBondContact O-CB 3.42Å; K138-K141 PolarHBondContact O-N 2.85Å; K138-K141 VanDerWaalsContact O-N 3.1Å; L139-K141 PolarHBondContact O-N 3.37Å; K141-E143 HydrophobicContact CB-CG 4.17Å; K141-E143 PolarHBondContact O-N 2.87Å
142G97.9Very high97.4Very high4 Ų431 Ų314%0.04116%0.156CC..THydrogen-bonded Turntrans72.213.8-176.800000114.3S59 L139S59-G142 WeakPolarHBondContact O-CA 3.47Å; L139-G142 WeakPolarHBondContact O-CA 3.31Å; L139-G142 PolarHBondContact O-N 3.12Å
143E98.1Very high97.1Very high49 Ų4931.9 Ų31.923%0.22916%0.161CC..  trans-75.2169.3-179.4-59.4-163.6-131.500112.2L63 W95 K138 K141L63-E143 PolarHBondContact N-O 2.86Å; W95-E143 PolarHBondContact NE1-OE2 3.12Å; K138-E143 HydrophobicContact CB-CB 4.2Å; K138-E143 WeakPolarHBondContact CD-OE1 3.29Å; K138-E143 VanDerWaalsContact O-CB 3.29Å; K138-E143 WeakPolarHBondContact O-CB 3.38Å; K138-E143 PolarHBondContact O-N 3.41Å; K141-E143 HydrophobicContact CB-CG 4.17Å; K141-E143 PolarHBondContact O-N 2.87Å
144W98.6Very high96.8Very high4 Ų429 Ų292%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-94.6128.7178.7175.323.6000110.8L50 I54 L63 T65 W79 L82 K92 R94 W95L50-W144 HydrophobicContact CD1-CZ2 4.47Å; I54-W144 HydrophobicContact CD1-CE3 4.42Å; I54-W144 HydrophobicContact CD1-CH2 3.62Å; I54-W144 HydrophobicContact CD1-CZ2 4.28Å; I54-W144 HydrophobicContact CD1-CZ3 3.7Å; I54-W144 HydrophobicContact CG1-CE3 4.28Å; I54-W144 HydrophobicContact CG1-CH2 4.26Å; I54-W144 HydrophobicContact CG1-CZ3 4.04Å; L63-W144 HydrophobicContact CB-CB 4.3Å; L63-W144 HydrophobicContact CB-CG 4.26Å; L63-W144 HydrophobicContact CD2-CD2 4.22Å; L63-W144 HydrophobicContact CD2-CG 3.91Å; L63-W144 HydrophobicContact CG-CG 4.23Å; L63-W144 WeakPolarHBondContact O-CA 3.47Å; T65-W144 HydrophobicContact CG2-CZ2 4.09Å; T65-W144 PolarHBondContact OG1-NE1 3.39Å; W79-W144 HydrophobicContact CD2-CH2 4.45Å; W79-W144 AromaticContact CE3-CH2 3.72Å; W79-W144 HydrophobicContact CE3-CH2 3.72Å; W79-W144 AromaticContact CE3-CZ2 3.98Å; W79-W144 HydrophobicContact CE3-CZ2 3.98Å; W79-W144 AromaticContact CH2-CH2 3.98Å; W79-W144 HydrophobicContact CH2-CH2 3.98Å; W79-W144 AromaticContact CH2-CZ2 3.39Å; W79-W144 HydrophobicContact CH2-CZ2 3.39Å; W79-W144 HydrophobicContact CZ2-CZ2 4.26Å; W79-W144 AromaticContact CZ3-CH2 3.47Å; W79-W144 HydrophobicContact CZ3-CH2 3.47Å; W79-W144 VanDerWaalsContact CZ3-CH2 3.47Å; W79-W144 AromaticContact CZ3-CZ2 3.24Å; W79-W144 HydrophobicContact CZ3-CZ2 3.24Å; L82-W144 HydrophobicContact CD1-CH2 4.05Å; L82-W144 HydrophobicContact CD1-CZ3 4.27Å; K92-W144 WeakPolarHBondContact O-CZ3 3.4Å; R94-W144 CarbonylContact C-O 3.6Å; R94-W144 VanDerWaalsContact CA-O 3.31Å; R94-W144 WeakPolarHBondContact CA-O 3.19Å; R94-W144 HydrophobicContact CB-CD2 3.43Å; R94-W144 VanDerWaalsContact CB-CD2 3.43Å; R94-W144 HydrophobicContact CB-CE3 3.74Å; R94-W144 HydrophobicContact CB-CG 3.81Å; R94-W144 HydrophobicContact CB-CH2 4.2Å; R94-W144 HydrophobicContact CB-CZ2 3.96Å; R94-W144 HydrophobicContact CB-CZ3 4.09Å; R94-W144 HydrophobicContact CG-CH2 4.49Å; R94-W144 HydrophobicContact CG-CZ2 4.39Å; W95-W144 PolarHBondContact N-O 3.09Å
145V98.8Very high96.1Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-119.4136.1173.1178.50000110.3L63 I64 T65 W95 V135 L139 I147L63-V145 PolarHBondContact O-N 2.72Å; I64-V145 CarbonylContact C-O 3.16Å; I64-V145 WeakPolarHBondContact CA-O 3.47Å; T65-V145 PolarHBondContact N-O 2.7Å; T65-V145 PolarHBondContact OG1-O 3.18Å; W95-V145 HydrophobicContact CB-CG2 4.41Å; W95-V145 CarbonylContact O-C 3.47Å; W95-V145 VanDerWaalsContact O-CA 3.29Å; W95-V145 WeakPolarHBondContact O-CA 3.46Å; V135-V145 HydrophobicContact CG1-CB 4.29Å; V135-V145 HydrophobicContact CG1-CG1 3.5Å; V135-V145 VanDerWaalsContact CG1-CG1 3.5Å; V135-V145 HydrophobicContact CG1-CG2 3.82Å; L139-V145 HydrophobicContact CD1-CG2 4.47Å; L139-V145 HydrophobicContact CD2-CB 3.92Å; L139-V145 HydrophobicContact CD2-CG2 3.56Å; L139-V145 HydrophobicContact CG-CB 4.4Å; L139-V145 HydrophobicContact CG-CG2 3.71Å; V145-I147 HydrophobicContact CG1-CD1 4.2Å; V145-I147 HydrophobicContact CG1-CG1 3.8Å
146H98.8Very high95.4Very high0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-107.2142.6167.3-176.673000111.1T65 S67 D75 W79 R94 W95 T96 P97 F148T65-H146 CarbonylContact O-C 3.59Å; T65-H146 WeakPolarHBondContact O-CA 3.44Å; T65-H146 PolarHBondContact O-ND1 3.02Å; T65-H146 WeakPolarHBondContact OG1-CA 3.33Å; T65-H146 WeakPolarHBondContact OG1-CB 3.19Å; T65-H146 PolarHBondContact OG1-ND1 3.06Å; S67-H146 VanDerWaalsContact CB-CE1 3.48Å; S67-H146 WeakPolarHBondContact CB-CE1 3.36Å; D75-H146 IonicContact OD1-CD2 3.79Å; W79-H146 HydrophobicContact CH2-CB 4.11Å; W79-H146 AromaticContact CH2-CE1 3.92Å; W79-H146 AromaticContact CH2-CG 3.8Å; W79-H146 AromaticContact CH2-ND1 3.44Å; W79-H146 WeakPolarHBondContact CH2-ND1 3.47Å; W79-H146 HydrophobicContact CZ2-CB 3.67Å; W79-H146 AromaticContact CZ2-CD2 3.67Å; W79-H146 AromaticContact CZ2-CE1 3.77Å; W79-H146 AromaticContact CZ2-CG 3.33Å; W79-H146 AromaticContact CZ2-ND1 3.42Å; W79-H146 WeakPolarHBondContact CZ2-ND1 3.46Å; W79-H146 AromaticContact CZ2-NE2 3.93Å; R94-H146 HydrophobicContact CB-CB 4.13Å; R94-H146 HydrophobicContact CG-CB 3.76Å; W95-H146 PolarHBondContact O-N 2.98Å; T96-H146 WeakPolarHBondContact CA-O 3.42Å; T96-H146 PolarHBondContact OG1-O 3.26Å; P97-H146 WeakPolarHBondContact CD-O 3.48Å; H146-F148 AromaticContact CD2-CE2 3.53Å; H146-F148 AromaticContact CD2-CZ 3.79Å; H146-F148 AromaticContact NE2-CD2 3.98Å; H146-F148 AromaticContact NE2-CE1 3.55Å; H146-F148 AromaticContact NE2-CE2 3.42Å; H146-F148 WeakPolarHBondContact NE2-CE2 3.16Å; H146-F148 AromaticContact NE2-CZ 3.19Å; H146-F148 WeakPolarHBondContact NE2-CZ 3.29Å
147I98.1Very high94.6Very high15 Ų1542 Ų428%0.07721%0.214CC..EExtended strand (participates in β ladder)trans-139.4137.6-179.1-49.2176.4000109.1I64 T65 L66 S67 P97 V145 P149 V166 L169I64-I147 HydrophobicContact CG2-CD1 4.06Å; T65-I147 PolarHBondContact O-N 3.2Å; L66-I147 WeakPolarHBondContact CA-O 3.44Å; L66-I147 HydrophobicContact CD2-CB 3.91Å; L66-I147 HydrophobicContact CD2-CD1 4.46Å; S67-I147 PolarHBondContact N-O 3.39Å; P97-I147 HydrophobicContact CG-CG1 4.45Å; V145-I147 HydrophobicContact CG1-CD1 4.2Å; V145-I147 HydrophobicContact CG1-CG1 3.8Å; I147-P149 WeakPolarHBondContact O-CD 3.47Å; I147-V166 HydrophobicContact CD1-CB 4.45Å; I147-V166 HydrophobicContact CD1-CG2 4.36Å; I147-L169 HydrophobicContact CD1-CD1 3.38Å
148F97.6Very high94.1Very high23 Ų2344.1 Ų44.110%0.10122%0.224CC..  trans-95.790.7161.6-65.5-77.2000108.7S67 N68 H69 D74 D75 H146 E150 G151S67-F148 WeakPolarHBondContact O-CD1 3.34Å; N68-F148 VanDerWaalsContact O-CD1 3.22Å; N68-F148 WeakPolarHBondContact O-CD1 3.23Å; N68-F148 VanDerWaalsContact O-CE1 3.26Å; N68-F148 WeakPolarHBondContact O-CE1 3.47Å; H69-F148 HydrophobicContact CB-CB 3.92Å; H69-F148 HydrophobicContact CB-CD1 3.6Å; H69-F148 HydrophobicContact CB-CE1 4.39Å; H69-F148 HydrophobicContact CB-CG 3.96Å; H69-F148 AromaticContact CG-CD1 3.86Å; H69-F148 AromaticContact CG-CG 3.95Å; D74-F148 HydrophobicContact CB-CE1 3.92Å; D74-F148 HydrophobicContact CB-CZ 3.94Å; D75-F148 HydrophobicContact CB-CE2 3.81Å; D75-F148 HydrophobicContact CB-CZ 4.06Å; H146-F148 AromaticContact CD2-CE2 3.53Å; H146-F148 AromaticContact CD2-CZ 3.79Å; H146-F148 AromaticContact NE2-CD2 3.98Å; H146-F148 AromaticContact NE2-CE1 3.55Å; H146-F148 AromaticContact NE2-CE2 3.42Å; H146-F148 WeakPolarHBondContact NE2-CE2 3.16Å; H146-F148 AromaticContact NE2-CZ 3.19Å; H146-F148 WeakPolarHBondContact NE2-CZ 3.29Å; F148-E150 PolarHBondContact O-N 3.17Å; F148-G151 PolarHBondContact O-N 3.15Å
149P96.7Very high93.7Very high3 Ų348.8 Ų48.82%0.01924%0.244CC..THydrogen-bonded Turntrans-68.7-10.9-167.528.6-36.3000113.6L66 S67 I147 G151 L162 K163 V166 F244L66-P149 HydrophobicContact CD2-CG 4.4Å; S67-P149 WeakPolarHBondContact O-CD 3.05Å; I147-P149 WeakPolarHBondContact O-CD 3.47Å; P149-G151 PolarHBondContact O-N 3.13Å; P149-L162 HydrophobicContact CB-CB 4.16Å; P149-L162 HydrophobicContact CB-CD1 3.9Å; P149-L162 HydrophobicContact CB-CD2 3.79Å; P149-L162 HydrophobicContact CB-CG 4.11Å; P149-L162 HydrophobicContact CG-CD1 3.88Å; P149-L162 HydrophobicContact CG-CD2 3.66Å; P149-L162 HydrophobicContact CG-CG 4.28Å; P149-L162 CarbonylContact O-C 3.57Å; P149-L162 WeakPolarHBondContact O-CA 3.44Å; P149-K163 PolarHBondContact O-N 2.82Å; P149-V166 HydrophobicContact CB-CG1 4.34Å; P149-F244 HydrophobicContact CG-CE1 4.46Å; P149-F244 HydrophobicContact CG-CZ 4.32Å
150E95.6Very high93.4Very high9 Ų950 Ų504%0.04225%0.25CS..THydrogen-bonded Turntrans-65.1-28.1171.4-63.6176.8164.500112.1H69 F148 K152 I160 L162 K163H69-E150 PolarHBondContact N-OE2 3.24Å; F148-E150 PolarHBondContact O-N 3.17Å; E150-K152 PolarHBondContact O-N 3.47Å; E150-I160 HydrophobicContact CB-CG2 4.13Å; E150-I160 HydrophobicContact CG-CB 4.4Å; E150-I160 HydrophobicContact CG-CG2 4.33Å; E150-L162 HydrophobicContact CG-CD2 4.12Å; E150-K163 WeakPolarHBondContact O-CE 3.49Å
151G92.4Very high93.2Very high35 Ų3552.9 Ų52.936%0.36126%0.257SS..SBendtrans74.60.3176.300000115.4F148 P149F148-G151 PolarHBondContact O-N 3.15Å; P149-G151 PolarHBondContact O-N 3.13Å
152K91.9Very high93.2Very high115 Ų11547.4 Ų47.450%0.523%0.233SC..SBendtrans-155.8164.7173.363.5171.2-173.6168.20109.4E150E150-K152 PolarHBondContact O-N 3.47Å
153I91.4Very high93.2Very high32 Ų3252.5 Ų52.516%0.16425%0.254CS..  trans-67.3130.1168.5-65166.8000109H69 Q70 C72 M155H69-I153 WeakPolarHBondContact NE2-CG1 3.24Å; H69-I153 CarbonylContact O-C 3.5Å; H69-I153 WeakPolarHBondContact O-CA 3.38Å; Q70-I153 WeakPolarHBondContact O-CG2 3.42Å; C72-I153 HydrophobicContact CB-CD1 4.22Å; C72-I153 WeakPolarHBondContact SG-CD1 3.32Å; I153-M155 HydrophobicContact CG2-CG 4.05Å
154N91.9Very high93.1Very high10 Ų1053.5 Ų53.55%0.05326%0.256CS..  trans-95.487.9177.3-169.92.1000110.5H69 E157 E158 I160H69-N154 WeakPolarHBondContact O-CB 3.28Å; H69-N154 PolarHBondContact O-N 3.5Å; N154-E157 PolarHBondContact OD1-N 2.67Å; N154-E158 PolarHBondContact ND2-O 3Å; N154-I160 HydrophobicContact CB-CD1 3.57Å; N154-I160 WeakPolarHBondContact OD1-CD1 3.4Å
155M84Confident93Very high126 Ų12654 Ų5462%0.62126%0.262SS*.THydrogen-bonded Turntrans-74.1-24.9-178.2-59.9179.5-17400113.5I153 N193I153-M155 HydrophobicContact CG2-CG 4.05Å; M155-N193 HydrophobicContact CE-CB 4.06Å; M155-N193 HydrophobicContact CG-CB 4.21Å; M155-N193 HydrophobicContact SD-CB 4.27Å
156T84Confident93Very high92 Ų9254 Ų5456%0.56426%0.263SS*.THydrogen-bonded Turntrans-94.4-5-176560000113.1E158T156-E158 PolarHBondContact O-N 2.99Å; T156-E158 WeakPolarHBondContact OG1-CG 3.02Å; T156-E158 PolarHBondContact OG1-OE2 2.95Å; T156-E158 VanDerWaalsContact OG1-OE2 3.1Å
157E81.5Confident92.9Very high95 Ų9554 Ų5444%0.44426%0.263SS..  trans56.513.2-175.3-48.7-164.6167.300114.7Q70 N154 K248Q70-E157 VanDerWaalsContact NE2-CD 3.33Å; Q70-E157 PolarHBondContact NE2-OE1 3.23Å; Q70-E157 VanDerWaalsContact NE2-OE1 3.12Å; N154-E157 PolarHBondContact OD1-N 2.67Å; E157-K248 PolarHBondContact O-NZ 3.26Å
158E87Confident92.9Very high129 Ų12953.8 Ų53.860%0.60326%0.261SS*.  trans-70.5166.8179.8-72.5175.8156.100111.1N154 T156 I160N154-E158 PolarHBondContact ND2-O 3Å; T156-E158 PolarHBondContact O-N 2.99Å; T156-E158 WeakPolarHBondContact OG1-CG 3.02Å; T156-E158 PolarHBondContact OG1-OE2 2.95Å; T156-E158 VanDerWaalsContact OG1-OE2 3.1Å; E158-I160 PolarHBondContact O-N 3.21Å; E158-I160 VanDerWaalsContact O-N 3.1Å
159F88.6Confident93Very high115 Ų11552.7 Ų52.750%0.50426%0.256SS..  trans-63.9114.8172.8174.2-104.4000111R161 Q241F159-R161 HydrophobicContact CZ-CB 4.48Å; F159-Q241 HydrophobicContact CE2-CG 4.26Å; F159-Q241 HydrophobicContact CZ-CG 4.3Å
160I92.7Very high93Very high25 Ų2552.7 Ų52.713%0.12826%0.256CS..  trans-107.2128.6170.8-63.7-175.6000109.9E150 N154 E158 L162 Q241E150-I160 HydrophobicContact CB-CG2 4.13Å; E150-I160 HydrophobicContact CG-CB 4.4Å; E150-I160 HydrophobicContact CG-CG2 4.33Å; N154-I160 HydrophobicContact CB-CD1 3.57Å; N154-I160 WeakPolarHBondContact OD1-CD1 3.4Å; E158-I160 PolarHBondContact O-N 3.21Å; E158-I160 VanDerWaalsContact O-N 3.1Å; I160-L162 PolarHBondContact O-N 3.37Å; I160-Q241 PolarHBondContact O-OE1 3.5Å
161R95.2Very high93.1Very high115 Ų11552.5 Ų52.543%0.43426%0.255SS..PPolyproline II helixtrans-65.2126.7168.7-171.2-163.381.289.8-10.7110.5F159F159-R161 HydrophobicContact CZ-CB 4.48Å
162L97.1Very high93.4Very high0 Ų053.2 Ų53.20%025%0.249CC..PPolyproline II helixtrans-61.1140.8174.2-59.6-168.6000112P149 E150 I160 T237 I240 Q241 F244P149-L162 HydrophobicContact CB-CB 4.16Å; P149-L162 HydrophobicContact CB-CD1 3.9Å; P149-L162 HydrophobicContact CB-CD2 3.79Å; P149-L162 HydrophobicContact CB-CG 4.11Å; P149-L162 HydrophobicContact CG-CD1 3.88Å; P149-L162 HydrophobicContact CG-CD2 3.66Å; P149-L162 HydrophobicContact CG-CG 4.28Å; P149-L162 CarbonylContact O-C 3.57Å; P149-L162 WeakPolarHBondContact O-CA 3.44Å; E150-L162 HydrophobicContact CG-CD2 4.12Å; I160-L162 PolarHBondContact O-N 3.37Å; L162-T237 HydrophobicContact CB-CG2 3.69Å; L162-I240 HydrophobicContact CD1-CB 4.45Å; L162-I240 HydrophobicContact CD1-CG2 3.76Å; L162-Q241 HydrophobicContact CD1-CB 4.24Å; L162-Q241 HydrophobicContact CG-CB 4.34Å; L162-F244 HydrophobicContact CD1-CD1 4.45Å; L162-F244 HydrophobicContact CD2-CD1 4.16Å; L162-F244 HydrophobicContact CD2-CE1 4.19Å
163K96.9Very high93.7Very high110 Ų11047.9 Ų47.948%0.47823%0.227SC..PPolyproline II helixtrans-73.7143.6174.5-57-60.5-176.6179.80110P149 E150 G165P149-K163 PolarHBondContact O-N 2.82Å; E150-K163 WeakPolarHBondContact O-CE 3.49Å; K163-G165 PolarHBondContact O-N 3.47Å
164W97Very high93.9Very high70 Ų7050.6 Ų50.627%0.26525%0.248SC..THydrogen-bonded Turntrans-67.9-2.2-176.9-69.2-15.6000115.5V127 V166 G167 R168 M230 K234V127-W164 HydrophobicContact CG1-CB 3.97Å; W164-V166 VanDerWaalsContact C-N 3.29Å; W164-V166 PolarHBondContact O-N 3.46Å; W164-G167 PolarHBondContact O-N 2.84Å; W164-R168 PolarHBondContact O-N 3.34Å; W164-M230 HydrophobicContact CH2-CG 3.95Å; W164-M230 HydrophobicContact CH2-SD 4.31Å; W164-M230 HydrophobicContact CZ3-CG 3.83Å; W164-M230 HydrophobicContact CZ3-SD 4.37Å; W164-K234 HydrophobicContact CZ2-CB 4.08Å; W164-K234 HydrophobicContact CZ2-CD 4.46Å; W164-K234 HydrophobicContact CZ2-CG 4.17Å
165G96.8Very high94.2Very high14 Ų1452.3 Ų52.314%0.14426%0.257CS..Hα-helixtrans-57.8-41.2177.700000112.4K163 R168 L169K163-G165 PolarHBondContact O-N 3.47Å; G165-R168 WeakPolarHBondContact O-CB 3.31Å; G165-R168 PolarHBondContact O-N 2.6Å; G165-L169 WeakPolarHBondContact O-CG 3.26Å; G165-L169 PolarHBondContact O-N 2.96Å
166V97.4Very high94.8Very high2 Ų249.6 Ų49.61%0.01225%0.245CC..Hα-helixtrans-64-45.117665.10000111.7L66 I147 P149 W164 R168 L169 I170 T237L66-V166 HydrophobicContact CD1-CG2 4.38Å; L66-V166 HydrophobicContact CD2-CG2 3.79Å; I147-V166 HydrophobicContact CD1-CB 4.45Å; I147-V166 HydrophobicContact CD1-CG2 4.36Å; P149-V166 HydrophobicContact CB-CG1 4.34Å; W164-V166 VanDerWaalsContact C-N 3.29Å; W164-V166 PolarHBondContact O-N 3.46Å; V166-R168 VanDerWaalsContact C-N 3.28Å; V166-R168 PolarHBondContact O-N 2.92Å; V166-L169 PolarHBondContact O-N 3.47Å; V166-I170 HydrophobicContact CG2-CD1 3.92Å; V166-I170 WeakPolarHBondContact O-CG1 3.33Å; V166-I170 PolarHBondContact O-N 3.29Å; V166-T237 HydrophobicContact CG1-CG2 4.14Å
167G97.9Very high95.4Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-63-34.7176.900000112.5W164 A171 T237W164-G167 PolarHBondContact O-N 2.84Å; G167-A171 VanDerWaalsContact O-CB 3.27Å; G167-A171 WeakPolarHBondContact O-CB 3.32Å; G167-A171 PolarHBondContact O-N 3.45Å; G167-T237 WeakPolarHBondContact CA-OG1 3.36Å; G167-T237 PolarHBondContact N-OG1 3.38Å
168R97.8Very high96.3Very high9 Ų942.8 Ų42.83%0.03421%0.209CC..Hα-helixtrans-62.2-53.7172.7-175.2-166.5166.5-154.1-8.8110.9V127 M132 D133 W164 G165 V166 I170 A171 E172 R233V127-R168 HydrophobicContact CB-CB 4.39Å; V127-R168 VanDerWaalsContact O-CD 3.27Å; V127-R168 WeakPolarHBondContact O-CD 3.36Å; V127-R168 PolarHBondContact O-NH1 2.7Å; M132-R168 VanDerWaalsContact CB-NH1 3.29Å; D133-R168 IonicContact OD1-CZ 3.42Å; D133-R168 IonicContact OD1-NH1 2.9Å; D133-R168 PolarHBondContact OD1-NH1 3.21Å; D133-R168 IonicContact OD1-NH2 3.02Å; D133-R168 PolarHBondContact OD1-NH2 2.98Å; W164-R168 PolarHBondContact O-N 3.34Å; G165-R168 WeakPolarHBondContact O-CB 3.31Å; G165-R168 PolarHBondContact O-N 2.6Å; V166-R168 VanDerWaalsContact C-N 3.28Å; V166-R168 PolarHBondContact O-N 2.92Å; R168-I170 PolarHBondContact O-N 3.44Å; R168-A171 PolarHBondContact O-N 2.77Å; R168-A171 VanDerWaalsContact O-N 3.16Å; R168-E172 HydrophobicContact CG-CG 4.36Å; R168-E172 WeakPolarHBondContact CG-OE1 3.43Å; R168-E172 IonicContact CZ-OE2 2.67Å; R168-E172 IonicContact NE-OE1 3.93Å; R168-E172 IonicContact NE-OE2 3.43Å; R168-E172 PolarHBondContact NE-OE2 3.07Å; R168-E172 IonicContact NH2-OE2 3.4Å; R168-E172 PolarHBondContact NH2-OE2 3.07Å; R168-E172 WeakPolarHBondContact O-CB 3.15Å; R168-E172 PolarHBondContact O-N 2.78Å; R168-R233 HydrophobicContact CB-CG 4.12Å
169L98.3Very high96.8Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-57.1-40-177-70.9173.2000111.3M132 V135 L136 L139 I147 G165 V166 C173M132-L169 HydrophobicContact CE-CD1 3.67Å; M132-L169 HydrophobicContact CE-CD2 3.96Å; M132-L169 HydrophobicContact CE-CG 3.65Å; V135-L169 HydrophobicContact CB-CD2 4.23Å; V135-L169 HydrophobicContact CG1-CD1 3.74Å; V135-L169 HydrophobicContact CG1-CD2 3.86Å; V135-L169 HydrophobicContact CG1-CG 4.48Å; L136-L169 HydrophobicContact CB-CD2 3.84Å; L136-L169 HydrophobicContact CD1-CD2 4.38Å; L139-L169 HydrophobicContact CD1-CB 3.85Å; L139-L169 HydrophobicContact CD1-CD1 4.38Å; L139-L169 HydrophobicContact CD1-CD2 4.15Å; L139-L169 HydrophobicContact CD1-CG 4.34Å; I147-L169 HydrophobicContact CD1-CD1 3.38Å; G165-L169 WeakPolarHBondContact O-CG 3.26Å; G165-L169 PolarHBondContact O-N 2.96Å; V166-L169 PolarHBondContact O-N 3.47Å; L169-C173 WeakPolarHBondContact O-CB 3.47Å; L169-C173 PolarHBondContact O-N 3.43Å; L169-C173 VanDerWaalsContact O-N 3.14Å
170I98.2Very high97.3Very high4 Ų431.2 Ų31.22%0.02116%0.156CC..Hα-helixtrans-68-49.7176.1-66.2165.1000111.5I64 V166 R168 E172 C173 I179 V215 V219 L236 I240I64-I170 HydrophobicContact CD1-CG1 3.9Å; V166-I170 HydrophobicContact CG2-CD1 3.92Å; V166-I170 WeakPolarHBondContact O-CG1 3.33Å; V166-I170 PolarHBondContact O-N 3.29Å; R168-I170 PolarHBondContact O-N 3.44Å; I170-E172 VanDerWaalsContact C-N 3.34Å; I170-E172 PolarHBondContact O-N 3.38Å; I170-C173 PolarHBondContact O-N 3Å; I170-I179 HydrophobicContact CD1-CD1 3.5Å; I170-I179 HydrophobicContact CG1-CD1 4.11Å; I170-V215 HydrophobicContact CG2-CG2 3.38Å; I170-V219 HydrophobicContact CG2-CG2 3.91Å; I170-L236 HydrophobicContact CB-CD1 4.31Å; I170-L236 HydrophobicContact CG2-CD1 3.89Å; I170-L236 HydrophobicContact CG2-CD2 4.09Å; I170-L236 HydrophobicContact CG2-CG 4.45Å; I170-I240 HydrophobicContact CD1-CD1 4.4Å; I170-I240 HydrophobicContact CD1-CG1 4.21Å
171A97.9Very high97.6Very high4 Ų430.3 Ų30.33%0.03315%0.152CC..Hα-helixtrans-63.1-39.2-175.300000113.2G167 R168 R223 M232 L236G167-A171 VanDerWaalsContact O-CB 3.27Å; G167-A171 WeakPolarHBondContact O-CB 3.32Å; G167-A171 PolarHBondContact O-N 3.45Å; R168-A171 PolarHBondContact O-N 2.77Å; R168-A171 VanDerWaalsContact O-N 3.16Å; A171-R223 PolarHBondContact O-NH2 3.14Å; A171-M232 HydrophobicContact CB-CB 4.35Å; A171-M232 HydrophobicContact CB-CE 4.32Å; A171-L236 HydrophobicContact CB-CD1 3.7Å
172E97.8Very high97.7Very high50 Ų5024.8 Ų24.823%0.23413%0.131CC..Hα-helixtrans-95.3-4.4-174.3-64177.6-161.900112.8Y128 L136 R168 I170 S174 R233Y128-E172 WeakPolarHBondContact CE1-OE1 3.45Å; Y128-E172 PolarHBondContact OH-OE1 2.86Å; L136-E172 HydrophobicContact CD1-CB 4.27Å; L136-E172 HydrophobicContact CD2-CB 3.74Å; R168-E172 HydrophobicContact CG-CG 4.36Å; R168-E172 WeakPolarHBondContact CG-OE1 3.43Å; R168-E172 IonicContact CZ-OE2 2.67Å; R168-E172 IonicContact NE-OE1 3.93Å; R168-E172 IonicContact NE-OE2 3.43Å; R168-E172 PolarHBondContact NE-OE2 3.07Å; R168-E172 IonicContact NH2-OE2 3.4Å; R168-E172 PolarHBondContact NH2-OE2 3.07Å; R168-E172 WeakPolarHBondContact O-CB 3.15Å; R168-E172 PolarHBondContact O-N 2.78Å; I170-E172 VanDerWaalsContact C-N 3.34Å; I170-E172 PolarHBondContact O-N 3.38Å; E172-S174 PolarHBondContact O-N 3Å; E172-R233 IonicContact OE1-NH1 3.59Å
173C97.9Very high97.8Very high3 Ų325.4 Ų25.42%0.0213%0.133CC..  trans-66.5130.5173.1-165.20000109.5L136 N140 L169 I170 L175L136-C173 HydrophobicContact CD1-CB 4.25Å; N140-C173 WeakPolarHBondContact OD1-CA 3.42Å; N140-C173 PolarHBondContact OD1-SG 3.46Å; L169-C173 WeakPolarHBondContact O-CB 3.47Å; L169-C173 PolarHBondContact O-N 3.43Å; L169-C173 VanDerWaalsContact O-N 3.14Å; I170-C173 PolarHBondContact O-N 3Å; C173-L175 VanDerWaalsContact C-N 3.26Å; C173-L175 PolarHBondContact SG-N 2.86Å; C173-L175 PolarHBondContact SG-O 3.46Å
174S96.9Very high97.8Very high89 Ų8920.1 Ų20.162%0.62211%0.11SC*.SBendtrans-75.6-21.8174.359.40000111.9N140 E172N140-S174 PolarHBondContact OD1-N 3.45Å; N140-S174 PolarHBondContact OD1-OG 2.9Å; N140-S174 VanDerWaalsContact OD1-OG 3.11Å; E172-S174 PolarHBondContact O-N 3Å
175L97.1Very high97.8Very high46 Ų4617.9 Ų17.924%0.24110%0.104CC..SBendtrans-100172.9174.1-61.4175.2000110.2P62 N140 C173 P177P62-L175 HydrophobicContact CG-CB 3.51Å; P62-L175 HydrophobicContact CG-CD1 3.87Å; P62-L175 HydrophobicContact CG-CG 4.34Å; N140-L175 WeakPolarHBondContact O-CD1 3.38Å; C173-L175 VanDerWaalsContact C-N 3.26Å; C173-L175 PolarHBondContact SG-N 2.86Å; C173-L175 PolarHBondContact SG-O 3.46Å; L175-P177 VanDerWaalsContact O-CD 3.23Å; L175-P177 WeakPolarHBondContact O-CD 3.41Å
176N96.3Very high97.7Very high69 Ų6917.4 Ų17.437%0.36910%0.1SC..  trans-105.596.4-179.4-60.5-64.8000109.5K216N176-K216 HydrophobicContact CB-CD 4.38Å; N176-K216 WeakPolarHBondContact OD1-CG 3.48Å
177P98.1Very high97.5Very high7 Ų717.4 Ų17.45%0.04510%0.099CC..  trans-66.7140.7-178.326.3-33.7000111.6P62 I64 L175P62-P177 HydrophobicContact CB-CB 4.12Å; P62-P177 HydrophobicContact CG-CB 4.47Å; P62-P177 CarbonylContact O-C 3.58Å; P62-P177 WeakPolarHBondContact O-CA 3.46Å; I64-P177 HydrophobicContact CD1-CB 3.8Å; I64-P177 HydrophobicContact CD1-CG 3.88Å; I64-P177 HydrophobicContact CG1-CB 3.95Å; L175-P177 VanDerWaalsContact O-CD 3.23Å; L175-P177 WeakPolarHBondContact O-CD 3.41Å
178I98.7Very high97.3Very high38 Ų3819.1 Ų19.120%0.19511%0.11CC..EExtended strand (participates in β ladder)trans-75.9132.9158.9-63.7174.2000107.4L53 T61 P62 L63 I64 P212L53-I178 HydrophobicContact CD1-CG2 4.28Å; L53-I178 HydrophobicContact CD2-CD1 3.72Å; L53-I178 HydrophobicContact CD2-CG2 4.21Å; T61-I178 HydrophobicContact CG2-CD1 3.54Å; T61-I178 HydrophobicContact CG2-CG1 3.72Å; P62-I178 PolarHBondContact O-N 3.08Å; L63-I178 HydrophobicContact CD1-CB 4.25Å; L63-I178 HydrophobicContact CD1-CG2 4.16Å; I64-I178 PolarHBondContact N-O 2.98Å; I178-P212 HydrophobicContact CG2-CB 3.79Å
179I98.8Very high97Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-107.3125.7177.1-55.9174.7000108.2I64 L66 I170 P212 F213 V215 I240I64-I179 CarbonylContact O-C 3.57Å; I64-I179 WeakPolarHBondContact O-CA 3.32Å; L66-I179 HydrophobicContact CD1-CG2 3.82Å; L66-I179 HydrophobicContact CG-CG2 4.34Å; I170-I179 HydrophobicContact CD1-CD1 3.5Å; I170-I179 HydrophobicContact CG1-CD1 4.11Å; I179-P212 WeakPolarHBondContact O-CA 3.32Å; I179-F213 HydrophobicContact CB-CD2 4.12Å; I179-F213 HydrophobicContact CB-CE1 4.3Å; I179-F213 HydrophobicContact CB-CE2 3.74Å; I179-F213 HydrophobicContact CB-CZ 3.85Å; I179-F213 HydrophobicContact CD1-CD2 4.46Å; I179-F213 HydrophobicContact CD1-CE2 3.86Å; I179-F213 HydrophobicContact CG1-CE2 4.35Å; I179-F213 HydrophobicContact CG2-CE1 4Å; I179-F213 HydrophobicContact CG2-CE2 3.84Å; I179-F213 HydrophobicContact CG2-CZ 3.48Å; I179-F213 VanDerWaalsContact CG2-CZ 3.48Å; I179-F213 PolarHBondContact N-O 2.68Å; I179-F213 PolarHBondContact O-N 3.32Å; I179-V215 HydrophobicContact CD1-CG1 4.16Å; I179-V215 HydrophobicContact CD1-CG2 3.89Å; I179-I240 HydrophobicContact CD1-CD1 3.73Å; I179-I240 HydrophobicContact CG2-CD1 4.06Å
180L98.8Very high96.8Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-124.4104179.7-177.768.6000109.5V49 L50 L53 L63 I64 T65 L66 L182 V209 G210 P212V49-L180 HydrophobicContact CG1-CD1 3.79Å; L50-L180 HydrophobicContact CB-CD2 4.12Å; L50-L180 HydrophobicContact CD1-CD2 3.64Å; L53-L180 HydrophobicContact CD1-CB 4.46Å; L53-L180 HydrophobicContact CD1-CD1 4.25Å; L53-L180 HydrophobicContact CD1-CD2 3.92Å; L53-L180 HydrophobicContact CD1-CG 4.45Å; L63-L180 HydrophobicContact CD1-CB 4.1Å; I64-L180 PolarHBondContact O-N 3.07Å; T65-L180 VanDerWaalsContact CA-O 3.24Å; T65-L180 WeakPolarHBondContact CA-O 3.38Å; T65-L180 HydrophobicContact CG2-CB 4.14Å; T65-L180 HydrophobicContact CG2-CD2 4.14Å; L66-L180 PolarHBondContact N-O 3.06Å; L180-L182 HydrophobicContact CG-CD1 4.49Å; L180-L182 WeakPolarHBondContact O-CD1 3.42Å; L180-V209 HydrophobicContact CD1-CG1 3.85Å; L180-V209 HydrophobicContact CD2-CG1 4.07Å; L180-V209 HydrophobicContact CG-CG1 4.21Å; L180-G210 VanDerWaalsContact CD1-O 3.3Å; L180-G210 WeakPolarHBondContact CD1-O 3.07Å; L180-P212 HydrophobicContact CD1-CB 4.11Å
181P98.4Very high96.6Very high6 Ų622.9 Ų22.94%0.03913%0.13CC..EExtended strand (participates in β ladder)trans-78.8140.6175.335.1-35.2000110L66 G210 F213 F244 L247L66-P181 CarbonylContact O-C 3.59Å; P181-G210 WeakPolarHBondContact O-CA 3.29Å; P181-G210 PolarHBondContact O-N 2.91Å; P181-F213 HydrophobicContact CG-CE1 4Å; P181-F244 HydrophobicContact CB-CD2 4.4Å; P181-L247 VanDerWaalsContact C-CD2 3.5Å; P181-L247 HydrophobicContact CB-CD2 3.72Å; P181-L247 HydrophobicContact CG-CD2 4.07Å; P181-L247 WeakPolarHBondContact O-CD2 3.35Å
182L98.4Very high96.1Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-122.6151.9171.1-60.193.6000107.8L50 T65 L66 S67 I78 L180 V207 L208 V209 L247L50-L182 HydrophobicContact CD2-CD2 4.25Å; T65-L182 HydrophobicContact CG2-CD1 3.89Å; L66-L182 WeakPolarHBondContact O-CA 3.38Å; L66-L182 PolarHBondContact O-N 3.27Å; S67-L182 WeakPolarHBondContact CA-O 3.41Å; I78-L182 HydrophobicContact CD1-CB 4.28Å; I78-L182 HydrophobicContact CD1-CD2 4.29Å; L180-L182 HydrophobicContact CG-CD1 4.49Å; L180-L182 WeakPolarHBondContact O-CD1 3.42Å; L182-V207 HydrophobicContact CD2-CG1 4.39Å; L182-L208 WeakPolarHBondContact CA-O 3.44Å; L182-V209 HydrophobicContact CD2-CG2 4.19Å; L182-L247 VanDerWaalsContact C-CD2 3.48Å
183W98Very high95.5Very high12 Ų1222.2 Ų22.25%0.04513%0.129CC..EExtended strand (participates in β ladder)trans-137.9128.7169.8-166.1-76.6000109.3N68 V207 L208 F244 L247 K248 A251N68-W183 HydrophobicContact CB-CD2 3.99Å; N68-W183 HydrophobicContact CB-CE3 3.92Å; N68-W183 HydrophobicContact CB-CH2 3.68Å; N68-W183 HydrophobicContact CB-CZ2 3.76Å; N68-W183 HydrophobicContact CB-CZ3 3.78Å; N68-W183 WeakPolarHBondContact OD1-CA 3.29Å; W183-V207 WeakPolarHBondContact O-CA 3.41Å; W183-L208 PolarHBondContact N-O 3.3Å; W183-L208 PolarHBondContact O-N 3.45Å; W183-F244 HydrophobicContact CE3-CD1 4.39Å; W183-F244 HydrophobicContact CE3-CD2 4.4Å; W183-F244 HydrophobicContact CE3-CE1 4.1Å; W183-F244 HydrophobicContact CE3-CE2 4.11Å; W183-F244 AromaticContact CE3-CZ 3.98Å; W183-F244 HydrophobicContact CE3-CZ 3.98Å; W183-F244 HydrophobicContact CH2-CE1 4.29Å; W183-F244 AromaticContact CZ3-CD1 3.71Å; W183-F244 HydrophobicContact CZ3-CD1 3.71Å; W183-F244 AromaticContact CZ3-CE1 3.43Å; W183-F244 HydrophobicContact CZ3-CE1 3.43Å; W183-F244 VanDerWaalsContact CZ3-CE1 3.43Å; W183-F244 HydrophobicContact CZ3-CE2 4.27Å; W183-F244 HydrophobicContact CZ3-CG 4.26Å; W183-F244 AromaticContact CZ3-CZ 3.75Å; W183-F244 HydrophobicContact CZ3-CZ 3.75Å; W183-L247 HydrophobicContact CB-CD2 3.94Å; W183-L247 HydrophobicContact CB-CG 4.02Å; W183-K248 HydrophobicContact CD2-CB 3.85Å; W183-K248 HydrophobicContact CD2-CG 4.29Å; W183-K248 HydrophobicContact CE3-CB 3.76Å; W183-K248 HydrophobicContact CH2-CB 3.64Å; W183-K248 HydrophobicContact CH2-CD 3.54Å; W183-K248 HydrophobicContact CH2-CG 3.66Å; W183-K248 HydrophobicContact CZ2-CB 3.7Å; W183-K248 HydrophobicContact CZ2-CD 3.52Å; W183-K248 HydrophobicContact CZ2-CG 3.35Å; W183-K248 HydrophobicContact CZ3-CB 3.64Å; W183-K248 HydrophobicContact CZ3-CD 4.37Å; W183-K248 HydrophobicContact CZ3-CG 4.2Å; W183-A251 HydrophobicContact CB-CB 3.75Å; W183-A251 HydrophobicContact CG-CB 3.74Å
184H97.4Very high94.9Very high0 Ų029.3 Ų29.30%016%0.162CC..EExtended strand (participates in β ladder)trans-109.9150.4173.770.575000111.8S67 N68 Q70 D74 L187 T206 V207S67-H184 PolarHBondContact OG-CD2 2.63Å; N68-H184 PolarHBondContact ND2-O 3.34Å; N68-H184 PolarHBondContact O-NE2 3.31Å; N68-H184 PolarHBondContact OD1-CD2 3.48Å; N68-H184 PolarHBondContact OD1-N 3.25Å; Q70-H184 PolarHBondContact OE1-O 2.9Å; D74-H184 VanDerWaalsContact CG-CE1 3.43Å; D74-H184 IonicContact OD1-CE1 3.86Å; D74-H184 PolarHBondContact OD1-CE1 3.03Å; D74-H184 IonicContact OD1-NE2 3.69Å; D74-H184 PolarHBondContact OD1-NE2 2.98Å; D74-H184 IonicContact OD2-CE1 2.7Å; D74-H184 IonicContact OD2-NE2 2.77Å; D74-H184 PolarHBondContact OD2-NE2 3.16Å; H184-L187 HydrophobicContact CB-CD1 4.23Å; H184-T206 CarbonylContact C-O 3.4Å; H184-T206 WeakPolarHBondContact CA-O 3.38Å; H184-V207 HydrophobicContact CB-CG2 4.06Å
185V96.3Very high94.3Very high23 Ų2330.1 Ų30.114%0.13917%0.168CC..EExtended strand (participates in β ladder)trans-134.1139.8173.2-170.70000108.3I205 T206 A251 E252 H255V185-I205 WeakPolarHBondContact O-CA 3.25Å; V185-T206 PolarHBondContact N-O 2.85Å; V185-T206 PolarHBondContact O-N 3.17Å; V185-A251 HydrophobicContact CG2-CB 4.33Å; V185-E252 HydrophobicContact CG2-CG 4.42Å; V185-H255 HydrophobicContact CB-CB 4.09Å; V185-H255 HydrophobicContact CG1-CB 4Å; V185-H255 VanDerWaalsContact CG1-CD2 3.48Å; V185-H255 WeakPolarHBondContact CG1-CD2 3.31Å; V185-H255 HydrophobicContact CG2-CB 4.37Å
186G94.4Very high93.8Very high4 Ų432.5 Ų32.54%0.04119%0.186CC..SBendtrans94.4-4.5176.100000116.2T188 D189 V190 R204G186-T188 PolarHBondContact O-N 2.98Å; G186-D189 PolarHBondContact O-N 3.24Å; G186-D189 VanDerWaalsContact O-N 3.16Å; G186-V190 PolarHBondContact O-N 3.49Å; G186-R204 WeakPolarHBondContact CA-O 3.37Å
187L94.3Very high93.4Very high2 Ų235.6 Ų35.61%0.0119%0.193CC..Hα-helixtrans-67.3-26.1174.3-71-175000113D74 H77 H184 D189 V190 L191 I205D74-L187 HydrophobicContact CB-CD1 4.36Å; H77-L187 HydrophobicContact CB-CD1 4.26Å; H77-L187 HydrophobicContact CB-CD2 3.87Å; H184-L187 HydrophobicContact CB-CD1 4.23Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.24Å; L187-V190 HydrophobicContact CD2-CG2 4.4Å; L187-V190 WeakPolarHBondContact O-CB 3.4Å; L187-V190 PolarHBondContact O-N 3.25Å; L187-L191 PolarHBondContact O-N 3.38Å; L187-I205 HydrophobicContact CD2-CD1 3.79Å; L187-I205 HydrophobicContact CD2-CG1 4.01Å; L187-I205 HydrophobicContact CD2-CG2 3.7Å; L187-I205 HydrophobicContact CG-CG2 4.07Å
188T92.4Very high93.1Very high35 Ų3540.2 Ų40.222%0.21522%0.216CC..Hα-helixtrans-62-34171.4-45.20000112Q70 G186 L191 P192Q70-T188 WeakPolarHBondContact CB-OG1 3.35Å; G186-T188 PolarHBondContact O-N 2.98Å; T188-L191 CarbonylContact O-C 3.6Å; T188-P192 VanDerWaalsContact O-CA 3.23Å; T188-P192 WeakPolarHBondContact O-CA 3.21Å
189D92.7Very high92.8Very high80 Ų8041.2 Ų41.243%0.42823%0.225SC..Hα-helixtrans-75.6-31.3177.9-55.9-50.3000111.8G186 L187 N203G186-D189 PolarHBondContact O-N 3.24Å; G186-D189 VanDerWaalsContact O-N 3.16Å; L187-D189 VanDerWaalsContact C-N 3.26Å; L187-D189 PolarHBondContact O-N 3.24Å; D189-N203 HydrophobicContact CB-CB 4.04Å; D189-N203 PolarHBondContact O-ND2 3.33Å; D189-N203 VanDerWaalsContact O-ND2 3.11Å
190V93.7Very high92.6Very high0 Ų047.8 Ų47.80%025%0.25CS..Hα-helixtrans-68.7-42.2175.2178.70000111.3G186 L187 P199 R200 N203 I205G186-V190 PolarHBondContact O-N 3.49Å; L187-V190 HydrophobicContact CD2-CG2 4.4Å; L187-V190 WeakPolarHBondContact O-CB 3.4Å; L187-V190 PolarHBondContact O-N 3.25Å; V190-P199 CarbonylContact O-C 3.55Å; V190-P199 VanDerWaalsContact O-CA 3.31Å; V190-P199 WeakPolarHBondContact O-CA 3.44Å; V190-R200 PolarHBondContact O-N 3.43Å; V190-N203 HydrophobicContact CG2-CB 3.93Å; V190-I205 HydrophobicContact CG2-CD1 3.77Å; V190-I205 HydrophobicContact CG2-CG1 3.79Å
191L93.1Very high92.5Very high12 Ų1250.4 Ų50.46%0.06327%0.272CS..SBendtrans-137.398.9170-177.370.3000109.9S71 C72 M73 L187 T188 P199S71-L191 PolarHBondContact OG-O 3.02Å; C72-L191 HydrophobicContact CB-CD2 4.37Å; M73-L191 HydrophobicContact CB-CD2 4.04Å; M73-L191 HydrophobicContact CG-CB 4.45Å; M73-L191 HydrophobicContact CG-CD2 3.3Å; M73-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 PolarHBondContact O-N 3.38Å; T188-L191 CarbonylContact O-C 3.6Å; L191-P199 HydrophobicContact CD1-CG 4.13Å
192P89.2Confident92.4Very high19 Ų1952.1 Ų52.112%0.12329%0.291CS..  trans-60.9144174.7-2231.5000111.6T188 E194T188-P192 VanDerWaalsContact O-CA 3.23Å; T188-P192 WeakPolarHBondContact O-CA 3.21Å; P192-E194 PolarHBondContact O-N 2.83Å; P192-E194 VanDerWaalsContact O-N 3.1Å
193N85.2Confident92.3Very high21 Ų2154 Ų5411%0.11230%0.301CS..SBendtrans-84.632.6178.6-60.1-69.3000113.1Q70 M155Q70-N193 PolarHBondContact O-ND2 2.79Å; M155-N193 HydrophobicContact CE-CB 4.06Å; M155-N193 HydrophobicContact CG-CB 4.21Å; M155-N193 HydrophobicContact SD-CB 4.27Å
194E85.1Confident92.2Very high152 Ų15256.8 Ų56.871%0.7131%0.311SS*.SBendtrans-120.2141.5179.4-65.6-177.4176.400109.4P192 P196P192-E194 PolarHBondContact O-N 2.83Å; P192-E194 VanDerWaalsContact O-N 3.1Å; E194-P196 CarbonylContact O-C 3.22Å; E194-P196 VanDerWaalsContact O-O 3.13Å
195S83.9Confident92.1Very high107 Ų10756.9 Ų56.975%0.74831%0.312SS*.SBendtrans-75.2133.7175.8-173.20000109.9
196P87.1Confident92.2Very high95 Ų9555.8 Ų55.862%0.61731%0.305SS*.SBendcis-79.91390.931.8-35000113.5E194 I198E194-P196 CarbonylContact O-C 3.22Å; E194-P196 VanDerWaalsContact O-O 3.13Å; P196-I198 VanDerWaalsContact C-N 3.35Å; P196-I198 HydrophobicContact CB-CD1 4.1Å; P196-I198 HydrophobicContact CB-CG1 4.07Å; P196-I198 HydrophobicContact CG-CD1 3.66Å; P196-I198 HydrophobicContact CG-CG1 4.1Å; P196-I198 PolarHBondContact O-N 2.94Å
197Y87.2Confident92.4Very high134 Ų13455.6 Ų55.653%0.52530%0.303SS..  trans-71.282.5178-62.9-77.2000111.8
198I91.3Very high92.6Very high104 Ų10455.8 Ų55.853%0.53330%0.304SS..  trans-107.4117.9-177.5-60.1174.5000109.7P196P196-I198 VanDerWaalsContact C-N 3.35Å; P196-I198 HydrophobicContact CB-CD1 4.1Å; P196-I198 HydrophobicContact CB-CG1 4.07Å; P196-I198 HydrophobicContact CG-CD1 3.66Å; P196-I198 HydrophobicContact CG-CG1 4.1Å; P196-I198 PolarHBondContact O-N 2.94Å
199P92.3Very high92.9Very high59 Ų5954.1 Ų54.138%0.38329%0.294SS..  trans-62.3138173.4-21.432.1000112.1W35 V190 L191W35-P199 HydrophobicContact CH2-CB 4.32Å; W35-P199 HydrophobicContact CZ2-CB 3.6Å; V190-P199 CarbonylContact O-C 3.55Å; V190-P199 VanDerWaalsContact O-CA 3.31Å; V190-P199 WeakPolarHBondContact O-CA 3.44Å; L191-P199 HydrophobicContact CD1-CG 4.13Å
200R95.4Very high93.2Very high139 Ų13950.6 Ų50.653%0.52528%0.276SS..  trans-113.8141.4179.5-60.4178.1-176.5172.71.6110.4N40 V190 N203N40-R200 PolarHBondContact OD1-O 3.15Å; V190-R200 PolarHBondContact O-N 3.43Å; R200-N203 WeakPolarHBondContact CB-ND2 3.37Å; R200-N203 PolarHBondContact O-ND2 3.11Å
201A96.3Very high93.3Very high55 Ų5559 Ų5946%0.45531%0.313SS..SBendtrans-99.8165174.900000110.7M39 N203M39-A201 HydrophobicContact CB-CB 4.43Å; M39-A201 HydrophobicContact CE-CB 4.41Å; M39-A201 CarbonylContact O-C 3.58Å; M39-A201 WeakPolarHBondContact O-CA 3.36Å; M39-A201 WeakPolarHBondContact O-CB 3.39Å; A201-N203 VanDerWaalsContact C-N 3.31Å; A201-N203 PolarHBondContact O-N 3.28Å
202G96.3Very high93.6Very high42 Ų4261.3 Ų61.343%0.43333%0.329SS..SBendtrans80.16.4177.100000114.9M39 N40 Y41M39-G202 PolarHBondContact O-N 3.03Å; N40-G202 PolarHBondContact OD1-N 3.44Å; Y41-G202 WeakPolarHBondContact CE2-O 3.12Å
203N96Very high94Very high39 Ų3962.2 Ų62.221%0.20933%0.331CS..  trans-84.4155.8176.7-59.9-67.5000110.9N40 Y41 D189 V190 R200 A201N40-N203 WeakPolarHBondContact CA-O 3.35Å; N40-N203 WeakPolarHBondContact CB-O 3.44Å; N40-N203 WeakPolarHBondContact OD1-CB 3.21Å; N40-N203 PolarHBondContact OD1-N 2.89Å; N40-N203 PolarHBondContact OD1-O 3.09Å; Y41-N203 PolarHBondContact N-O 3.39Å; D189-N203 HydrophobicContact CB-CB 4.04Å; D189-N203 PolarHBondContact O-ND2 3.33Å; D189-N203 VanDerWaalsContact O-ND2 3.11Å; V190-N203 HydrophobicContact CG2-CB 3.93Å; R200-N203 WeakPolarHBondContact CB-ND2 3.37Å; R200-N203 PolarHBondContact O-ND2 3.11Å; A201-N203 VanDerWaalsContact C-N 3.31Å; A201-N203 PolarHBondContact O-N 3.28Å
204R95.6Very high94.6Very high70 Ų7064.5 Ų64.526%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-92.9141.2175.3-64.3172.6-58.4-170.94.9109.8Y41 G186 E259Y41-R204 HydrophobicContact CD2-CG 4.39Å; G186-R204 WeakPolarHBondContact CA-O 3.37Å; R204-E259 VanDerWaalsContact CZ-CG 3.42Å; R204-E259 IonicContact CZ-OE1 3.97Å; R204-E259 VanDerWaalsContact NH1-CA 3.33Å; R204-E259 IonicContact NH2-OE1 2.87Å; R204-E259 PolarHBondContact NH2-OE1 3.35Å
205I96.9Very high95.1Very high2 Ų257.7 Ų57.71%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-127.1122.6177.7-52.6165.6000106.7T36 N40 Y41 L42 T43 V185 L187 V190 V207T36-I205 HydrophobicContact CG2-CD1 3.86Å; N40-I205 HydrophobicContact CB-CD1 3.81Å; N40-I205 HydrophobicContact CB-CG1 4.41Å; Y41-I205 PolarHBondContact O-N 3.1Å; L42-I205 CarbonylContact C-O 3.51Å; L42-I205 WeakPolarHBondContact CA-O 3.43Å; L42-I205 HydrophobicContact CD1-CB 4Å; L42-I205 HydrophobicContact CD1-CG2 3.73Å; T43-I205 PolarHBondContact N-O 3.16Å; V185-I205 WeakPolarHBondContact O-CA 3.25Å; L187-I205 HydrophobicContact CD2-CD1 3.79Å; L187-I205 HydrophobicContact CD2-CG1 4.01Å; L187-I205 HydrophobicContact CD2-CG2 3.7Å; L187-I205 HydrophobicContact CG-CG2 4.07Å; V190-I205 HydrophobicContact CG2-CD1 3.77Å; V190-I205 HydrophobicContact CG2-CG1 3.79Å; I205-V207 HydrophobicContact CG2-CG2 4.29Å
206T97.8Very high95.7Very high0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-110.6126.1172.3-61.70000108.6T43 H184 V185 L254 H255T43-T206 CarbonylContact O-C 3.58Å; T43-T206 WeakPolarHBondContact O-CA 3.26Å; H184-T206 CarbonylContact C-O 3.4Å; H184-T206 WeakPolarHBondContact CA-O 3.38Å; V185-T206 PolarHBondContact N-O 2.85Å; V185-T206 PolarHBondContact O-N 3.17Å; T206-L254 HydrophobicContact CG2-CB 4.39Å; T206-H255 WeakPolarHBondContact CB-ND1 3.22Å; T206-H255 PolarHBondContact OG1-ND1 2.84Å
207V98.4Very high96.2Very high1 Ų160.5 Ų60.51%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-116.8121.2171179.40000108.4L42 T43 V44 H45 V81 L182 W183 H184 I205L42-V207 HydrophobicContact CD1-CG2 3.85Å; T43-V207 PolarHBondContact O-N 2.84Å; V44-V207 CarbonylContact C-O 3.28Å; V44-V207 WeakPolarHBondContact CA-O 3.36Å; V44-V207 HydrophobicContact CG1-CB 4.27Å; V44-V207 HydrophobicContact CG1-CG1 4.41Å; H45-V207 PolarHBondContact N-O 2.87Å; V81-V207 HydrophobicContact CG1-CB 4.34Å; V81-V207 HydrophobicContact CG1-CG1 4.35Å; V81-V207 HydrophobicContact CG1-CG2 4.25Å; L182-V207 HydrophobicContact CD2-CG1 4.39Å; W183-V207 WeakPolarHBondContact O-CA 3.41Å; H184-V207 HydrophobicContact CB-CG2 4.06Å; I205-V207 HydrophobicContact CG2-CG2 4.29Å
208L98.6Very high96.8Very high6 Ų656.3 Ų56.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-101118.1170.817759.9000109.2H45 L182 W183 L247 Q250 A251 L254H45-L208 HydrophobicContact CB-CD1 3.59Å; L182-L208 WeakPolarHBondContact CA-O 3.44Å; W183-L208 PolarHBondContact N-O 3.3Å; W183-L208 PolarHBondContact O-N 3.45Å; L208-L247 HydrophobicContact CD2-CD1 3.54Å; L208-L247 HydrophobicContact CD2-CG 4.13Å; L208-L247 HydrophobicContact CG-CD1 3.81Å; L208-L247 HydrophobicContact CG-CG 4.44Å; L208-Q250 HydrophobicContact CD2-CB 3.61Å; L208-A251 HydrophobicContact CB-CB 3.83Å; L208-A251 HydrophobicContact CD2-CB 3.96Å; L208-L254 HydrophobicContact CD1-CD1 3.92Å; L208-L254 HydrophobicContact CD2-CD1 4.14Å; L208-L254 HydrophobicContact CG-CD1 4.45Å
209V98.7Very high97.1Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-85.4119.5167.1-178.20000107.9V44 H45 N46 V49 L50 L180 L182V44-V209 HydrophobicContact CG1-CG2 4.29Å; H45-V209 WeakPolarHBondContact O-CB 3.22Å; H45-V209 PolarHBondContact O-N 2.67Å; N46-V209 HydrophobicContact CB-CB 4.26Å; N46-V209 WeakPolarHBondContact CB-O 3.33Å; N46-V209 PolarHBondContact ND2-O 2.9Å; N46-V209 WeakPolarHBondContact O-CB 3.29Å; V49-V209 HydrophobicContact CB-CG1 4.12Å; V49-V209 HydrophobicContact CG1-CG1 4.29Å; L50-V209 HydrophobicContact CB-CG1 4.07Å; L50-V209 HydrophobicContact CB-CG2 4.21Å; L180-V209 HydrophobicContact CD1-CG1 3.85Å; L180-V209 HydrophobicContact CD2-CG1 4.07Å; L180-V209 HydrophobicContact CG-CG1 4.21Å; L182-V209 HydrophobicContact CD2-CG2 4.19Å
210G98.2Very high97.3Very high5 Ų551.7 Ų51.75%0.05227%0.268CS..  trans-76.3179.9178.800000113.1L180 P181L180-G210 VanDerWaalsContact CD1-O 3.3Å; L180-G210 WeakPolarHBondContact CD1-O 3.07Å; P181-G210 WeakPolarHBondContact O-CA 3.29Å; P181-G210 PolarHBondContact O-N 2.91Å
211K97.8Very high97.5Very high178 Ų17847.2 Ų47.277%0.77426%0.259SS*.  trans-74.2135.3173.3-66.9-178.5-179.7178.50109.7
212P98.2Very high97.5Very high60 Ų6045.1 Ų45.139%0.3924%0.239SC..  trans-71.7144.4173.630.2-30.1000109.6V49 L53 I178 I179 L180V49-P212 HydrophobicContact CG1-CG 3.96Å; L53-P212 HydrophobicContact CD1-CB 4.02Å; L53-P212 HydrophobicContact CD1-CG 4.48Å; I178-P212 HydrophobicContact CG2-CB 3.79Å; I179-P212 WeakPolarHBondContact O-CA 3.32Å; L180-P212 HydrophobicContact CD1-CB 4.11Å
213F98.1Very high97.6Very high38 Ų3848.2 Ų48.217%0.16724%0.238CC..BIsolated β-bridgetrans-143.3162.8176.161.1-91.3000111.5I179 P181 V215 F239 I240 E243I179-F213 HydrophobicContact CB-CD2 4.12Å; I179-F213 HydrophobicContact CB-CE1 4.3Å; I179-F213 HydrophobicContact CB-CE2 3.74Å; I179-F213 HydrophobicContact CB-CZ 3.85Å; I179-F213 HydrophobicContact CD1-CD2 4.46Å; I179-F213 HydrophobicContact CD1-CE2 3.86Å; I179-F213 HydrophobicContact CG1-CE2 4.35Å; I179-F213 HydrophobicContact CG2-CE1 4Å; I179-F213 HydrophobicContact CG2-CE2 3.84Å; I179-F213 HydrophobicContact CG2-CZ 3.48Å; I179-F213 VanDerWaalsContact CG2-CZ 3.48Å; I179-F213 PolarHBondContact N-O 2.68Å; I179-F213 PolarHBondContact O-N 3.32Å; P181-F213 HydrophobicContact CG-CE1 4Å; F213-V215 HydrophobicContact CD2-CG1 4.03Å; F213-V215 HydrophobicContact CE2-CG1 3.94Å; F213-F239 AromaticContact CD2-CE1 3.98Å; F213-F239 HydrophobicContact CD2-CE1 3.98Å; F213-F239 HydrophobicContact CE2-CD1 4.27Å; F213-F239 AromaticContact CE2-CE1 3.7Å; F213-F239 HydrophobicContact CE2-CE1 3.7Å; F213-F239 HydrophobicContact CZ-CE1 4.45Å; F213-I240 HydrophobicContact CE2-CD1 3.46Å; F213-I240 VanDerWaalsContact CE2-CD1 3.46Å; F213-I240 HydrophobicContact CZ-CD1 3.46Å; F213-I240 VanDerWaalsContact CZ-CD1 3.46Å; F213-E243 HydrophobicContact CE1-CB 4.2Å; F213-E243 HydrophobicContact CE1-CG 4.2Å; F213-E243 HydrophobicContact CZ-CB 4.2Å; F213-E243 HydrophobicContact CZ-CG 4.11Å
214S96.6Very high97.6Very high68 Ų6850.3 Ų50.348%0.47626%0.261SS..  trans-117.1148.6170.2-173.60000109.3K216S214-K216 PolarHBondContact OG-N 2.86Å
215V96.9Very high97.7Very high9 Ų952.4 Ų52.46%0.05527%0.274CS..  trans-111.619.4173.1-63.80000111.6I170 I179 F213 E217 L218 V219 L236 F239I170-V215 HydrophobicContact CG2-CG2 3.38Å; I179-V215 HydrophobicContact CD1-CG1 4.16Å; I179-V215 HydrophobicContact CD1-CG2 3.89Å; F213-V215 HydrophobicContact CD2-CG1 4.03Å; F213-V215 HydrophobicContact CE2-CG1 3.94Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 2.83Å; V215-L218 HydrophobicContact CB-CB 4.46Å; V215-L218 PolarHBondContact O-N 3.43Å; V215-L218 VanDerWaalsContact O-N 3.17Å; V215-V219 HydrophobicContact CG2-CG2 4.18Å; V215-V219 WeakPolarHBondContact O-CG2 3.45Å; V215-V219 PolarHBondContact O-N 3.32Å; V215-L236 HydrophobicContact CB-CD2 4.32Å; V215-L236 HydrophobicContact CG2-CD2 4.13Å; V215-F239 HydrophobicContact CG1-CD1 3.71Å; V215-F239 HydrophobicContact CG1-CE1 3.63Å
216K97.1Very high97.7Very high88 Ų8861.3 Ų61.338%0.38331%0.312SS..Hα-helixtrans-52.2-50-177.8178.6-179.8-175.3-57.90112.1N176 S214 L218 V219 D220N176-K216 HydrophobicContact CB-CD 4.38Å; N176-K216 WeakPolarHBondContact OD1-CG 3.48Å; S214-K216 PolarHBondContact OG-N 2.86Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 2.79Å; K216-V219 PolarHBondContact O-N 3.4Å; K216-V219 VanDerWaalsContact O-N 3.14Å; K216-D220 IonicContact NZ-OD2 2.64Å; K216-D220 PolarHBondContact NZ-OD2 3.35Å; K216-D220 WeakPolarHBondContact O-CB 3.18Å; K216-D220 VanDerWaalsContact O-CG 3.29Å; K216-D220 PolarHBondContact O-N 3.24Å
217E97.6Very high97.7Very high173 Ų17365 Ų6581%0.80833%0.328SS*.Hα-helixtrans-61.4-40.8-178.8-64.3179.7177.200112.2V215 D220 S221V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 2.83Å; E217-D220 PolarHBondContact O-N 3.06Å; E217-S221 PolarHBondContact O-N 3.4Å
218L97.9Very high97.7Very high47 Ų4767.6 Ų67.625%0.24635%0.347CS..Hα-helixtrans-65.8-40.1175.2177.559.7000111.7V215 K216 S221 L222 T235 L236 F239V215-L218 HydrophobicContact CB-CB 4.46Å; V215-L218 PolarHBondContact O-N 3.43Å; V215-L218 VanDerWaalsContact O-N 3.17Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 2.79Å; L218-S221 PolarHBondContact O-OG 2.96Å; L218-L222 HydrophobicContact CD1-CD1 4.11Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CB 3.36Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.06Å; L218-L222 VanDerWaalsContact O-N 3.11Å; L218-T235 HydrophobicContact CD1-CG2 4.24Å; L218-L236 HydrophobicContact CD2-CD2 3.88Å; L218-L236 HydrophobicContact CG-CD2 4.03Å; L218-F239 HydrophobicContact CD2-CB 4.14Å; L218-F239 HydrophobicContact CD2-CD2 4.2Å; L218-F239 HydrophobicContact CD2-CG 4.11Å
219V97.8Very high97.5Very high6 Ų671.7 Ų71.74%0.03637%0.365CS..Hα-helixtrans-64.4-44.2175.4172.60000110.7I170 V215 K216 L222 R223 M232 L236I170-V219 HydrophobicContact CG2-CG2 3.91Å; V215-V219 HydrophobicContact CG2-CG2 4.18Å; V215-V219 WeakPolarHBondContact O-CG2 3.45Å; V215-V219 PolarHBondContact O-N 3.32Å; K216-V219 PolarHBondContact O-N 3.4Å; K216-V219 VanDerWaalsContact O-N 3.14Å; V219-L222 PolarHBondContact O-N 3.44Å; V219-R223 HydrophobicContact CG1-CG 4.49Å; V219-R223 VanDerWaalsContact CG1-CZ 3.44Å; V219-R223 VanDerWaalsContact O-CG 3.3Å; V219-R223 WeakPolarHBondContact O-CG 3.29Å; V219-R223 PolarHBondContact O-N 2.8Å; V219-M232 HydrophobicContact CG1-CE 4.35Å; V219-L236 HydrophobicContact CG2-CD1 4.12Å; V219-L236 HydrophobicContact CG2-CD2 3.7Å
220D97.8Very high97.4Very high59 Ų5976.9 Ų76.932%0.31639%0.391SS..Hα-helixtrans-65-41-179.7-70-21.9000111.6K216 E217 R223 A224K216-D220 IonicContact NZ-OD2 2.64Å; K216-D220 PolarHBondContact NZ-OD2 3.35Å; K216-D220 WeakPolarHBondContact O-CB 3.18Å; K216-D220 VanDerWaalsContact O-CG 3.29Å; K216-D220 PolarHBondContact O-N 3.24Å; E217-D220 PolarHBondContact O-N 3.06Å; D220-R223 PolarHBondContact O-N 2.9Å; D220-A224 WeakPolarHBondContact O-CB 3.3Å; D220-A224 PolarHBondContact O-N 3.33Å
221S98.2Very high97.4Very high46 Ų4680.7 Ų80.732%0.32241%0.408SS..Hα-helixtrans-63.9-45.917676.50000111.7E217 L218 R223 A224 E225E217-S221 PolarHBondContact O-N 3.4Å; L218-S221 PolarHBondContact O-OG 2.96Å; S221-R223 VanDerWaalsContact C-N 3.28Å; S221-R223 PolarHBondContact O-N 3.07Å; S221-A224 PolarHBondContact O-N 2.83Å; S221-E225 WeakPolarHBondContact O-CB 3.48Å; S221-E225 WeakPolarHBondContact O-CG 3.49Å; S221-E225 PolarHBondContact O-N 3.03Å
222L98Very high97.4Very high10 Ų1072.5 Ų72.55%0.05237%0.372CS..Hα-helixtrans-61.8-36.2177.7-69.1168.5000112.2L218 V219 K226 K227 M232 T235 L236L218-L222 HydrophobicContact CD1-CD1 4.11Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CB 3.36Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.06Å; L218-L222 VanDerWaalsContact O-N 3.11Å; V219-L222 PolarHBondContact O-N 3.44Å; L222-K226 PolarHBondContact O-N 3.47Å; L222-K227 HydrophobicContact CB-CG 4.45Å; L222-K227 HydrophobicContact CD2-CB 4.46Å; L222-K227 HydrophobicContact CD2-CG 3.87Å; L222-K227 WeakPolarHBondContact O-CB 3.43Å; L222-K227 PolarHBondContact O-N 3.04Å; L222-M232 HydrophobicContact CB-CE 4.12Å; L222-M232 HydrophobicContact CB-CG 4.09Å; L222-T235 HydrophobicContact CD1-CG2 4.14Å; L222-T235 HydrophobicContact CD2-CG2 4.21Å; L222-L236 HydrophobicContact CD1-CD2 4.29Å; L222-L236 HydrophobicContact CD1-CG 4.19Å
223R96.6Very high97.4Very high108 Ų10870.6 Ų70.641%0.40836%0.357SS..Hα-helixtrans-69-44.1174.4-74.1172.8178.4167.60.2111.7A171 V219 D220 S221 E225 K226 M232A171-R223 PolarHBondContact O-NH2 3.14Å; V219-R223 HydrophobicContact CG1-CG 4.49Å; V219-R223 VanDerWaalsContact CG1-CZ 3.44Å; V219-R223 VanDerWaalsContact O-CG 3.3Å; V219-R223 WeakPolarHBondContact O-CG 3.29Å; V219-R223 PolarHBondContact O-N 2.8Å; D220-R223 PolarHBondContact O-N 2.9Å; S221-R223 VanDerWaalsContact C-N 3.28Å; S221-R223 PolarHBondContact O-N 3.07Å; R223-E225 VanDerWaalsContact C-N 3.29Å; R223-E225 PolarHBondContact O-N 3.16Å; R223-K226 WeakPolarHBondContact O-CA 3.5Å; R223-K226 PolarHBondContact O-N 2.98Å; R223-M232 HydrophobicContact CG-CE 3.7Å
224A97.8Very high97.4Very high82 Ų8273.6 Ų73.668%0.67837%0.37SS*.Hα-helixtrans-61.7-38.5177.400000111.9D220 S221 K226D220-A224 WeakPolarHBondContact O-CB 3.3Å; D220-A224 PolarHBondContact O-N 3.33Å; S221-A224 PolarHBondContact O-N 2.83Å; A224-K226 PolarHBondContact O-N 3.31Å
225E97.7Very high97.5Very high115 Ų11572.9 Ų72.954%0.53736%0.363SS..THydrogen-bonded Turntrans-73.3-2.2173.5-70.8175.6-141.700113.9S221 R223 K227S221-E225 WeakPolarHBondContact O-CB 3.48Å; S221-E225 WeakPolarHBondContact O-CG 3.49Å; S221-E225 PolarHBondContact O-N 3.03Å; R223-E225 VanDerWaalsContact C-N 3.29Å; R223-E225 PolarHBondContact O-N 3.16Å; E225-K227 HydrophobicContact CB-CD 4.46Å; E225-K227 HydrophobicContact CB-CG 4Å; E225-K227 PolarHBondContact O-N 3.42Å; E225-K227 WeakPolarHBondContact OE2-CE 3.48Å; E225-K227 IonicContact OE2-NZ 3.8Å
226K97Very high97.5Very high189 Ų18972.6 Ų72.682%0.82236%0.361SS*.THydrogen-bonded Turntrans52.937.6-177.6-58.1179.6-179.2176.90113L222 R223 A224L222-K226 PolarHBondContact O-N 3.47Å; R223-K226 WeakPolarHBondContact O-CA 3.5Å; R223-K226 PolarHBondContact O-N 2.98Å; A224-K226 PolarHBondContact O-N 3.31Å
227K97.6Very high97.6Very high77 Ų7768.4 Ų68.434%0.33534%0.343SS..  trans-60.3146.6176.7-65.6-66.1-178.9-179.30110.9L222 E225 E231 M232L222-K227 HydrophobicContact CB-CG 4.45Å; L222-K227 HydrophobicContact CD2-CB 4.46Å; L222-K227 HydrophobicContact CD2-CG 3.87Å; L222-K227 WeakPolarHBondContact O-CB 3.43Å; L222-K227 PolarHBondContact O-N 3.04Å; E225-K227 HydrophobicContact CB-CD 4.46Å; E225-K227 HydrophobicContact CB-CG 4Å; E225-K227 PolarHBondContact O-N 3.42Å; E225-K227 WeakPolarHBondContact OE2-CE 3.48Å; E225-K227 IonicContact OE2-NZ 3.8Å; K227-E231 HydrophobicContact CB-CB 4.2Å; K227-M232 HydrophobicContact CB-CG 3.98Å
228S97.5Very high97.6Very high56 Ų5662.9 Ų62.939%0.39232%0.319SS..  trans-63.8155.417568.60000111M230 E231 M232S228-M230 PolarHBondContact O-N 3.21Å; S228-M230 VanDerWaalsContact O-N 3.13Å; S228-E231 VanDerWaalsContact CB-OE2 3.31Å; S228-E231 WeakPolarHBondContact CB-OE2 3.45Å; S228-E231 PolarHBondContact N-OE2 3.49Å; S228-E231 PolarHBondContact O-N 3.45Å; S228-E231 VanDerWaalsContact O-N 3.08Å; S228-E231 VanDerWaalsContact OG-CG 3.27Å; S228-E231 WeakPolarHBondContact OG-CG 2.74Å; S228-E231 PolarHBondContact OG-N 2.76Å; S228-E231 PolarHBondContact OG-OE2 2.66Å; S228-M232 WeakPolarHBondContact O-CG 3.46Å; S228-M232 PolarHBondContact O-N 3.05Å
229Q95.4Very high97.6Very high91 Ų9164.5 Ų64.543%0.42532%0.324SS..Hα-helixtrans-55.6-33.2175.9-69-62.2-3000112.6R233Q229-R233 WeakPolarHBondContact O-CB 3.42Å; Q229-R233 VanDerWaalsContact O-CG 3.26Å; Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 3.42Å; Q229-R233 VanDerWaalsContact O-N 3.12Å
230M96.6Very high97.6Very high109 Ų10964.3 Ų64.354%0.53732%0.323SS..Hα-helixtrans-68.2-46.7176.9-173.9179.8-67.200111.9W164 S228 R233 K234W164-M230 HydrophobicContact CH2-CG 3.95Å; W164-M230 HydrophobicContact CH2-SD 4.31Å; W164-M230 HydrophobicContact CZ3-CG 3.83Å; W164-M230 HydrophobicContact CZ3-SD 4.37Å; S228-M230 PolarHBondContact O-N 3.21Å; S228-M230 VanDerWaalsContact O-N 3.13Å; M230-R233 PolarHBondContact O-N 2.96Å; M230-K234 WeakPolarHBondContact O-CB 3.32Å; M230-K234 PolarHBondContact O-N 3.33Å
231E97.7Very high97.6Very high86 Ų8662.1 Ų62.140%0.40231%0.311SS..Hα-helixtrans-62.1-45.7177.5-71.8166.6117.800111.1K227 S228 R233 K234 T235K227-E231 HydrophobicContact CB-CB 4.2Å; S228-E231 VanDerWaalsContact CB-OE2 3.31Å; S228-E231 WeakPolarHBondContact CB-OE2 3.45Å; S228-E231 PolarHBondContact N-OE2 3.49Å; S228-E231 PolarHBondContact O-N 3.45Å; S228-E231 VanDerWaalsContact O-N 3.08Å; S228-E231 VanDerWaalsContact OG-CG 3.27Å; S228-E231 WeakPolarHBondContact OG-CG 2.74Å; S228-E231 PolarHBondContact OG-N 2.76Å; S228-E231 PolarHBondContact OG-OE2 2.66Å; E231-R233 PolarHBondContact O-N 3.5Å; E231-K234 PolarHBondContact O-N 3.49Å; E231-T235 WeakPolarHBondContact O-CB 3.48Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.06Å; E231-T235 VanDerWaalsContact O-OG1 3.06Å
232M98Very high97.5Very high6 Ų663.3 Ų63.33%0.0332%0.316CS..Hα-helixtrans-55.9-51.9176.9-67.9-173.573.300111.4A171 V219 L222 R223 K227 S228 K234 T235 L236A171-M232 HydrophobicContact CB-CB 4.35Å; A171-M232 HydrophobicContact CB-CE 4.32Å; V219-M232 HydrophobicContact CG1-CE 4.35Å; L222-M232 HydrophobicContact CB-CE 4.12Å; L222-M232 HydrophobicContact CB-CG 4.09Å; R223-M232 HydrophobicContact CG-CE 3.7Å; K227-M232 HydrophobicContact CB-CG 3.98Å; S228-M232 WeakPolarHBondContact O-CG 3.46Å; S228-M232 PolarHBondContact O-N 3.05Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 2.87Å; M232-T235 PolarHBondContact O-N 3.35Å; M232-L236 WeakPolarHBondContact O-CB 3.36Å; M232-L236 WeakPolarHBondContact O-CD1 3.38Å; M232-L236 WeakPolarHBondContact O-CG 3.42Å; M232-L236 PolarHBondContact O-N 3.34Å
233R97.2Very high97.4Very high20 Ų2066.1 Ų66.18%0.07533%0.329CS..Hα-helixtrans-58-44.2178.6-76.9-170-64.9-1072.4112.5Y128 R168 E172 Q229 M230 E231 T237Y128-R233 VanDerWaalsContact CE2-NH1 3.27Å; Y128-R233 PolarHBondContact OH-NH1 3.24Å; R168-R233 HydrophobicContact CB-CG 4.12Å; E172-R233 IonicContact OE1-NH1 3.59Å; Q229-R233 WeakPolarHBondContact O-CB 3.42Å; Q229-R233 VanDerWaalsContact O-CG 3.26Å; Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 3.42Å; Q229-R233 VanDerWaalsContact O-N 3.12Å; M230-R233 PolarHBondContact O-N 2.96Å; E231-R233 PolarHBondContact O-N 3.5Å; R233-T237 VanDerWaalsContact O-CB 3.29Å; R233-T237 WeakPolarHBondContact O-CB 3.5Å; R233-T237 PolarHBondContact O-N 3.26Å; R233-T237 PolarHBondContact O-OG1 3.48Å
234K97.8Very high97.3Very high100 Ų10061.1 Ų61.144%0.43531%0.31SS..Hα-helixtrans-63.3-55.4179.8-177.8-174.7177.6-60.20110.2W164 M230 E231 M232 L236 T237 D238W164-K234 HydrophobicContact CZ2-CB 4.08Å; W164-K234 HydrophobicContact CZ2-CD 4.46Å; W164-K234 HydrophobicContact CZ2-CG 4.17Å; M230-K234 WeakPolarHBondContact O-CB 3.32Å; M230-K234 PolarHBondContact O-N 3.33Å; E231-K234 PolarHBondContact O-N 3.49Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 2.87Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.16Å; K234-T237 PolarHBondContact O-N 3.33Å; K234-T237 VanDerWaalsContact O-N 3.12Å; K234-D238 WeakPolarHBondContact CG-OD2 3.42Å; K234-D238 IonicContact NZ-OD2 3.21Å; K234-D238 PolarHBondContact NZ-OD2 3.08Å; K234-D238 WeakPolarHBondContact O-CB 3.24Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 3.27Å
235T98.4Very high97.1Very high54 Ų5463 Ų6333%0.33130%0.3SS..Hα-helixtrans-57.1-45.8-178-58.90000111.7L218 L222 E231 M232 D238 F239L218-T235 HydrophobicContact CD1-CG2 4.24Å; L222-T235 HydrophobicContact CD1-CG2 4.14Å; L222-T235 HydrophobicContact CD2-CG2 4.21Å; E231-T235 WeakPolarHBondContact O-CB 3.48Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.06Å; E231-T235 VanDerWaalsContact O-OG1 3.06Å; M232-T235 PolarHBondContact O-N 3.35Å; T235-D238 PolarHBondContact O-N 3.09Å; T235-F239 PolarHBondContact O-N 3.39Å
236L98.4Very high97Very high2 Ų261.6 Ų61.61%0.0130%0.296CS..Hα-helixtrans-64.2-43.9177.4-66.2166.1000111.5I170 A171 V215 L218 V219 L222 M232 K234 D238 F239 I240I170-L236 HydrophobicContact CB-CD1 4.31Å; I170-L236 HydrophobicContact CG2-CD1 3.89Å; I170-L236 HydrophobicContact CG2-CD2 4.09Å; I170-L236 HydrophobicContact CG2-CG 4.45Å; A171-L236 HydrophobicContact CB-CD1 3.7Å; V215-L236 HydrophobicContact CB-CD2 4.32Å; V215-L236 HydrophobicContact CG2-CD2 4.13Å; L218-L236 HydrophobicContact CD2-CD2 3.88Å; L218-L236 HydrophobicContact CG-CD2 4.03Å; V219-L236 HydrophobicContact CG2-CD1 4.12Å; V219-L236 HydrophobicContact CG2-CD2 3.7Å; L222-L236 HydrophobicContact CD1-CD2 4.29Å; L222-L236 HydrophobicContact CD1-CG 4.19Å; M232-L236 WeakPolarHBondContact O-CB 3.36Å; M232-L236 WeakPolarHBondContact O-CD1 3.38Å; M232-L236 WeakPolarHBondContact O-CG 3.42Å; M232-L236 PolarHBondContact O-N 3.34Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.16Å; L236-D238 VanDerWaalsContact C-N 3.33Å; L236-D238 PolarHBondContact O-N 3.49Å; L236-F239 PolarHBondContact O-N 2.96Å; L236-I240 VanDerWaalsContact O-CG1 3.28Å; L236-I240 WeakPolarHBondContact O-CG1 3.44Å; L236-I240 PolarHBondContact O-N 3Å; L236-I240 VanDerWaalsContact O-N 3.09Å
237T98.3Very high96.9Very high1 Ų153 Ų531%0.00626%0.259CS..Hα-helixtrans-65.3-37.6178.5-540000111.8L162 V166 G167 R233 K234 I240 Q241L162-T237 HydrophobicContact CB-CG2 3.69Å; V166-T237 HydrophobicContact CG1-CG2 4.14Å; G167-T237 WeakPolarHBondContact CA-OG1 3.36Å; G167-T237 PolarHBondContact N-OG1 3.38Å; R233-T237 VanDerWaalsContact O-CB 3.29Å; R233-T237 WeakPolarHBondContact O-CB 3.5Å; R233-T237 PolarHBondContact O-N 3.26Å; R233-T237 PolarHBondContact O-OG1 3.48Å; K234-T237 PolarHBondContact O-N 3.33Å; K234-T237 VanDerWaalsContact O-N 3.12Å; T237-I240 PolarHBondContact O-N 2.99Å; T237-Q241 WeakPolarHBondContact O-CB 3.31Å; T237-Q241 PolarHBondContact O-N 2.85Å
238D98.3Very high96.8Very high57 Ų5751.8 Ų51.831%0.30525%0.254SS..Hα-helixtrans-69.8-36.7179.2-67.8-13000111.7K234 T235 L236 Q241 T242K234-D238 WeakPolarHBondContact CG-OD2 3.42Å; K234-D238 IonicContact NZ-OD2 3.21Å; K234-D238 PolarHBondContact NZ-OD2 3.08Å; K234-D238 WeakPolarHBondContact O-CB 3.24Å; K234-D238 VanDerWaalsContact O-CG 3.22Å; K234-D238 PolarHBondContact O-N 3.27Å; T235-D238 PolarHBondContact O-N 3.09Å; L236-D238 VanDerWaalsContact C-N 3.33Å; L236-D238 PolarHBondContact O-N 3.49Å; D238-Q241 WeakPolarHBondContact O-CB 3.4Å; D238-Q241 PolarHBondContact O-N 3.46Å; D238-T242 PolarHBondContact O-N 2.91Å; D238-T242 PolarHBondContact O-OG1 2.91Å; D238-T242 VanDerWaalsContact O-OG1 3.05Å
239F98Very high96.7Very high80 Ų8052.2 Ų52.235%0.35126%0.261SS..Hα-helixtrans-58.8-51.2170.4-178.9-89.8000110.6F213 V215 L218 T235 L236 Q241 T242 E243F213-F239 AromaticContact CD2-CE1 3.98Å; F213-F239 HydrophobicContact CD2-CE1 3.98Å; F213-F239 HydrophobicContact CE2-CD1 4.27Å; F213-F239 AromaticContact CE2-CE1 3.7Å; F213-F239 HydrophobicContact CE2-CE1 3.7Å; F213-F239 HydrophobicContact CZ-CE1 4.45Å; V215-F239 HydrophobicContact CG1-CD1 3.71Å; V215-F239 HydrophobicContact CG1-CE1 3.63Å; L218-F239 HydrophobicContact CD2-CB 4.14Å; L218-F239 HydrophobicContact CD2-CD2 4.2Å; L218-F239 HydrophobicContact CD2-CG 4.11Å; T235-F239 PolarHBondContact O-N 3.39Å; L236-F239 PolarHBondContact O-N 2.96Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.17Å; F239-T242 WeakPolarHBondContact O-CB 3.42Å; F239-T242 PolarHBondContact O-N 3.37Å; F239-T242 VanDerWaalsContact O-N 3.11Å; F239-E243 HydrophobicContact CD1-CG 4.44Å; F239-E243 HydrophobicContact CE1-CG 3.96Å; F239-E243 HydrophobicContact CZ-CG 4.3Å; F239-E243 PolarHBondContact O-N 3.09Å
240I97.8Very high96.7Very high2 Ų253.3 Ų53.31%0.0127%0.266CS..Hα-helixtrans-59.9-41.3177-63.2-56.9000111.9L66 L162 I170 I179 F213 L236 T237 T242 E243 F244L66-I240 HydrophobicContact CD1-CD1 4.48Å; L66-I240 HydrophobicContact CD1-CG2 3.31Å; L162-I240 HydrophobicContact CD1-CB 4.45Å; L162-I240 HydrophobicContact CD1-CG2 3.76Å; I170-I240 HydrophobicContact CD1-CD1 4.4Å; I170-I240 HydrophobicContact CD1-CG1 4.21Å; I179-I240 HydrophobicContact CD1-CD1 3.73Å; I179-I240 HydrophobicContact CG2-CD1 4.06Å; F213-I240 HydrophobicContact CE2-CD1 3.46Å; F213-I240 VanDerWaalsContact CE2-CD1 3.46Å; F213-I240 HydrophobicContact CZ-CD1 3.46Å; F213-I240 VanDerWaalsContact CZ-CD1 3.46Å; L236-I240 VanDerWaalsContact O-CG1 3.28Å; L236-I240 WeakPolarHBondContact O-CG1 3.44Å; L236-I240 PolarHBondContact O-N 3Å; L236-I240 VanDerWaalsContact O-N 3.09Å; T237-I240 PolarHBondContact O-N 2.99Å; I240-T242 PolarHBondContact O-N 3.16Å; I240-E243 PolarHBondContact O-N 3.42Å; I240-F244 WeakPolarHBondContact O-CB 3.47Å; I240-F244 PolarHBondContact O-N 2.82Å
241Q97.8Very high96.7Very high14 Ų1448.1 Ų48.17%0.06524%0.24CC..Hα-helixtrans-56.4-36.8177.7179.373.190.600112F159 I160 L162 T237 D238 F239 R245F159-Q241 HydrophobicContact CE2-CG 4.26Å; F159-Q241 HydrophobicContact CZ-CG 4.3Å; I160-Q241 PolarHBondContact O-OE1 3.5Å; L162-Q241 HydrophobicContact CD1-CB 4.24Å; L162-Q241 HydrophobicContact CG-CB 4.34Å; T237-Q241 WeakPolarHBondContact O-CB 3.31Å; T237-Q241 PolarHBondContact O-N 2.85Å; D238-Q241 WeakPolarHBondContact O-CB 3.4Å; D238-Q241 PolarHBondContact O-N 3.46Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.17Å; Q241-R245 VanDerWaalsContact O-CG 3.29Å; Q241-R245 WeakPolarHBondContact O-CG 3.33Å; Q241-R245 PolarHBondContact O-N 3.27Å; Q241-R245 VanDerWaalsContact O-N 3.11Å
242T96.6Very high96.6Very high70 Ų7046.2 Ų46.243%0.42923%0.231SC..Hα-helixtrans-71.4-51.3-179.5-57.10000110.9D238 F239 I240 F244 R245 N246D238-T242 PolarHBondContact O-N 2.91Å; D238-T242 PolarHBondContact O-OG1 2.91Å; D238-T242 VanDerWaalsContact O-OG1 3.05Å; F239-T242 WeakPolarHBondContact O-CB 3.42Å; F239-T242 PolarHBondContact O-N 3.37Å; F239-T242 VanDerWaalsContact O-N 3.11Å; I240-T242 PolarHBondContact O-N 3.16Å; T242-F244 PolarHBondContact O-N 3.48Å; T242-R245 PolarHBondContact O-N 3.38Å; T242-N246 PolarHBondContact O-N 3.42Å; T242-N246 VanDerWaalsContact O-N 3.09Å
243E95.8Very high96.5Very high69 Ų6946.8 Ų46.832%0.32224%0.239SC..Hα-helixtrans-56.4-41.7175.4-69.4-55.2123.200112F213 F239 I240 N246 L247F213-E243 HydrophobicContact CE1-CB 4.2Å; F213-E243 HydrophobicContact CE1-CG 4.2Å; F213-E243 HydrophobicContact CZ-CB 4.2Å; F213-E243 HydrophobicContact CZ-CG 4.11Å; F239-E243 HydrophobicContact CD1-CG 4.44Å; F239-E243 HydrophobicContact CE1-CG 3.96Å; F239-E243 HydrophobicContact CZ-CG 4.3Å; F239-E243 PolarHBondContact O-N 3.09Å; I240-E243 PolarHBondContact O-N 3.42Å; E243-N246 PolarHBondContact O-N 3.1Å; E243-L247 PolarHBondContact O-N 3.06Å; E243-L247 VanDerWaalsContact O-N 3.09Å
244F94Very high96.5Very high4 Ų447.9 Ų47.92%0.01825%0.246CC..Hα-helixtrans-67.4-38.2-178.8-163.1-118.4000112.9L66 N68 P149 L162 P181 W183 I240 T242 L247 K248L66-F244 HydrophobicContact CB-CE2 4.32Å; N68-F244 HydrophobicContact CB-CE1 4.48Å; N68-F244 HydrophobicContact CB-CZ 4.08Å; N68-F244 VanDerWaalsContact N-CZ 3.28Å; P149-F244 HydrophobicContact CG-CE1 4.46Å; P149-F244 HydrophobicContact CG-CZ 4.32Å; L162-F244 HydrophobicContact CD1-CD1 4.45Å; L162-F244 HydrophobicContact CD2-CD1 4.16Å; L162-F244 HydrophobicContact CD2-CE1 4.19Å; P181-F244 HydrophobicContact CB-CD2 4.4Å; W183-F244 HydrophobicContact CE3-CD1 4.39Å; W183-F244 HydrophobicContact CE3-CD2 4.4Å; W183-F244 HydrophobicContact CE3-CE1 4.1Å; W183-F244 HydrophobicContact CE3-CE2 4.11Å; W183-F244 AromaticContact CE3-CZ 3.98Å; W183-F244 HydrophobicContact CE3-CZ 3.98Å; W183-F244 HydrophobicContact CH2-CE1 4.29Å; W183-F244 AromaticContact CZ3-CD1 3.71Å; W183-F244 HydrophobicContact CZ3-CD1 3.71Å; W183-F244 AromaticContact CZ3-CE1 3.43Å; W183-F244 HydrophobicContact CZ3-CE1 3.43Å; W183-F244 VanDerWaalsContact CZ3-CE1 3.43Å; W183-F244 HydrophobicContact CZ3-CE2 4.27Å; W183-F244 HydrophobicContact CZ3-CG 4.26Å; W183-F244 AromaticContact CZ3-CZ 3.75Å; W183-F244 HydrophobicContact CZ3-CZ 3.75Å; I240-F244 WeakPolarHBondContact O-CB 3.47Å; I240-F244 PolarHBondContact O-N 2.82Å; T242-F244 PolarHBondContact O-N 3.48Å; F244-L247 PolarHBondContact O-N 3.29Å; F244-K248 PolarHBondContact O-N 3.34Å; F244-K248 VanDerWaalsContact O-N 3.09Å
245R93.9Very high96.4Very high120 Ų12043.9 Ų43.945%0.45323%0.229SC..Hα-helixtrans-65.9-39.8173.1-77.9170.6173.5178.9-5112.2Q241 T242 L247 K248 A249Q241-R245 VanDerWaalsContact O-CG 3.29Å; Q241-R245 WeakPolarHBondContact O-CG 3.33Å; Q241-R245 PolarHBondContact O-N 3.27Å; Q241-R245 VanDerWaalsContact O-N 3.11Å; T242-R245 PolarHBondContact O-N 3.38Å; R245-L247 PolarHBondContact O-N 3.08Å; R245-K248 WeakPolarHBondContact O-CB 3.5Å; R245-K248 PolarHBondContact O-N 3.03Å; R245-A249 PolarHBondContact O-N 3.43Å
246N94.4Very high96.1Very high86 Ų8647.7 Ų47.746%0.4624%0.237SC..Hα-helixtrans-62.5-35.6176.3-68.2-20.9000111.3T242 E243 Q250T242-N246 PolarHBondContact O-N 3.42Å; T242-N246 VanDerWaalsContact O-N 3.09Å; E243-N246 PolarHBondContact O-N 3.1Å; N246-Q250 PolarHBondContact O-NE2 2.74Å
247L96.2Very high95.7Very high9 Ų952.7 Ų52.75%0.04726%0.26CS..Hα-helixtrans-69.7-40.3176.2-163.669.8000112.5P181 L182 W183 L208 E243 F244 R245 A249 Q250 A251P181-L247 VanDerWaalsContact C-CD2 3.5Å; P181-L247 HydrophobicContact CB-CD2 3.72Å; P181-L247 HydrophobicContact CG-CD2 4.07Å; P181-L247 WeakPolarHBondContact O-CD2 3.35Å; L182-L247 VanDerWaalsContact C-CD2 3.48Å; W183-L247 HydrophobicContact CB-CD2 3.94Å; W183-L247 HydrophobicContact CB-CG 4.02Å; L208-L247 HydrophobicContact CD2-CD1 3.54Å; L208-L247 HydrophobicContact CD2-CG 4.13Å; L208-L247 HydrophobicContact CG-CD1 3.81Å; L208-L247 HydrophobicContact CG-CG 4.44Å; E243-L247 PolarHBondContact O-N 3.06Å; E243-L247 VanDerWaalsContact O-N 3.09Å; F244-L247 PolarHBondContact O-N 3.29Å; R245-L247 PolarHBondContact O-N 3.08Å; L247-A249 PolarHBondContact O-N 3.21Å; L247-Q250 PolarHBondContact O-N 3.19Å; L247-A251 PolarHBondContact O-N 3.01Å
248K95.4Very high94.7Very high51 Ų5154.9 Ų54.922%0.22227%0.271CS..Hα-helixtrans-50.1-56.2175.1176.9175.3-175.6174.30111.9E157 W183 F244 R245 Q250 A251 E252E157-K248 PolarHBondContact O-NZ 3.26Å; W183-K248 HydrophobicContact CD2-CB 3.85Å; W183-K248 HydrophobicContact CD2-CG 4.29Å; W183-K248 HydrophobicContact CE3-CB 3.76Å; W183-K248 HydrophobicContact CH2-CB 3.64Å; W183-K248 HydrophobicContact CH2-CD 3.54Å; W183-K248 HydrophobicContact CH2-CG 3.66Å; W183-K248 HydrophobicContact CZ2-CB 3.7Å; W183-K248 HydrophobicContact CZ2-CD 3.52Å; W183-K248 HydrophobicContact CZ2-CG 3.35Å; W183-K248 HydrophobicContact CZ3-CB 3.64Å; W183-K248 HydrophobicContact CZ3-CD 4.37Å; W183-K248 HydrophobicContact CZ3-CG 4.2Å; F244-K248 PolarHBondContact O-N 3.34Å; F244-K248 VanDerWaalsContact O-N 3.09Å; R245-K248 WeakPolarHBondContact O-CB 3.5Å; R245-K248 PolarHBondContact O-N 3.03Å; K248-Q250 PolarHBondContact O-N 2.79Å; K248-A251 PolarHBondContact O-N 3.13Å; K248-A251 VanDerWaalsContact O-N 3.16Å; K248-E252 WeakPolarHBondContact CE-OE1 3.48Å; K248-E252 HydrophobicContact CG-CG 4.41Å; K248-E252 WeakPolarHBondContact CG-OE1 3.32Å; K248-E252 IonicContact NZ-OE1 3.7Å; K248-E252 WeakPolarHBondContact O-CG 3.12Å; K248-E252 PolarHBondContact O-N 3.1Å
249A94.1Very high93.1Very high65 Ų6556.5 Ų56.554%0.53728%0.277SS..Hα-helixtrans-59.3-37.2-175.500000112.4R245 L247 G253R245-A249 PolarHBondContact O-N 3.43Å; L247-A249 PolarHBondContact O-N 3.21Å; A249-G253 PolarHBondContact O-N 2.95Å
250Q96.8Very high91.3Very high114 Ų11458.2 Ų58.253%0.53329%0.294SS..Hα-helixtrans-69.2-47.2176.8-69.5171.968.200111.8L208 N246 L247 K248 E252 G253 L254L208-Q250 HydrophobicContact CD2-CB 3.61Å; N246-Q250 PolarHBondContact O-NE2 2.74Å; L247-Q250 PolarHBondContact O-N 3.19Å; K248-Q250 PolarHBondContact O-N 2.79Å; Q250-E252 PolarHBondContact O-N 2.65Å; Q250-G253 PolarHBondContact O-N 2.76Å; Q250-L254 WeakPolarHBondContact O-CG 3.37Å; Q250-L254 PolarHBondContact O-N 3.08Å
251A96.8Very high89.4Confident0 Ų068.6 Ų68.60%033%0.334CS..Hα-helixtrans-63.3-43.1-178.100000112.3W183 V185 L208 L247 K248 G253 L254 H255W183-A251 HydrophobicContact CB-CB 3.75Å; W183-A251 HydrophobicContact CG-CB 3.74Å; V185-A251 HydrophobicContact CG2-CB 4.33Å; L208-A251 HydrophobicContact CB-CB 3.83Å; L208-A251 HydrophobicContact CD2-CB 3.96Å; L247-A251 PolarHBondContact O-N 3.01Å; K248-A251 PolarHBondContact O-N 3.13Å; K248-A251 VanDerWaalsContact O-N 3.16Å; A251-G253 VanDerWaalsContact C-N 3.34Å; A251-L254 PolarHBondContact O-N 3.31Å; A251-H255 PolarHBondContact O-N 3.18Å
252E95.3Very high87.1Confident46 Ų4674.4 Ų74.422%0.21538%0.375CS..Hα-helixtrans-65.2-37.8175.4-69.6178.3177.100112.3V185 K248 Q250 H255 R256V185-E252 HydrophobicContact CG2-CG 4.42Å; K248-E252 WeakPolarHBondContact CE-OE1 3.48Å; K248-E252 HydrophobicContact CG-CG 4.41Å; K248-E252 WeakPolarHBondContact CG-OE1 3.32Å; K248-E252 IonicContact NZ-OE1 3.7Å; K248-E252 WeakPolarHBondContact O-CG 3.12Å; K248-E252 PolarHBondContact O-N 3.1Å; Q250-E252 PolarHBondContact O-N 2.65Å; E252-H255 PolarHBondContact O-N 3.03Å; E252-R256 WeakPolarHBondContact O-CG 3.26Å; E252-R256 PolarHBondContact O-N 3.46Å; E252-R256 VanDerWaalsContact O-N 3.08Å; E252-R256 IonicContact OE2-NH1 3.64Å
253G95.8Very high86.6Confident18 Ų1874.6 Ų74.619%0.18637%0.373CS..Hα-helixtrans-60.2-45.7173.400000112.2A249 Q250 A251 R256 Q257A249-G253 PolarHBondContact O-N 2.95Å; Q250-G253 PolarHBondContact O-N 2.76Å; A251-G253 VanDerWaalsContact C-N 3.34Å; G253-R256 PolarHBondContact O-N 3.38Å; G253-Q257 WeakPolarHBondContact O-CG 3.23Å; G253-Q257 PolarHBondContact O-N 3.28Å; G253-Q257 VanDerWaalsContact O-N 3.09Å
254L96.3Very high86.1Confident43 Ų4374.9 Ų74.923%0.22538%0.375CS..Hα-helixtrans-64.1-41.2176.9-69.5168.1000111.9H45 T206 L208 Q250 A251 R256 Q257 I258H45-L254 HydrophobicContact CB-CD1 4.29Å; T206-L254 HydrophobicContact CG2-CB 4.39Å; L208-L254 HydrophobicContact CD1-CD1 3.92Å; L208-L254 HydrophobicContact CD2-CD1 4.14Å; L208-L254 HydrophobicContact CG-CD1 4.45Å; Q250-L254 WeakPolarHBondContact O-CG 3.37Å; Q250-L254 PolarHBondContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 3.31Å; L254-R256 PolarHBondContact O-N 3.27Å; L254-Q257 PolarHBondContact O-N 2.87Å; L254-I258 WeakPolarHBondContact O-CG1 3.48Å; L254-I258 PolarHBondContact O-N 2.95Å
255H95.8Very high85.7Confident17 Ų1778.8 Ų78.88%0.07940%0.395CS..Hα-helixtrans-61.8-44.2178.2-165.773.3000112V185 T206 A251 E252 Q257 I258V185-H255 HydrophobicContact CB-CB 4.09Å; V185-H255 HydrophobicContact CG1-CB 4Å; V185-H255 VanDerWaalsContact CG1-CD2 3.48Å; V185-H255 WeakPolarHBondContact CG1-CD2 3.31Å; V185-H255 HydrophobicContact CG2-CB 4.37Å; T206-H255 WeakPolarHBondContact CB-ND1 3.22Å; T206-H255 PolarHBondContact OG1-ND1 2.84Å; A251-H255 PolarHBondContact O-N 3.18Å; E252-H255 PolarHBondContact O-N 3.03Å; H255-Q257 PolarHBondContact O-N 3.49Å; H255-I258 WeakPolarHBondContact O-CB 3.33Å; H255-I258 PolarHBondContact O-N 3.12Å
256R93.8Very high85.2Confident133 Ų13376.4 Ų76.450%0.50239%0.392SS..Hα-helixtrans-67.3-31.2175.6-71.2-173.6-66.1-95.6-1.3113.7E252 G253 L254 I258 E259 T260E252-R256 WeakPolarHBondContact O-CG 3.26Å; E252-R256 PolarHBondContact O-N 3.46Å; E252-R256 VanDerWaalsContact O-N 3.08Å; E252-R256 IonicContact OE2-NH1 3.64Å; G253-R256 PolarHBondContact O-N 3.38Å; L254-R256 PolarHBondContact O-N 3.27Å; R256-I258 PolarHBondContact O-N 2.88Å; R256-E259 VanDerWaalsContact O-CB 3.32Å; R256-E259 WeakPolarHBondContact O-CB 3.44Å; R256-E259 PolarHBondContact O-N 3.22Å; R256-E259 VanDerWaalsContact O-N 3.16Å; R256-T260 PolarHBondContact O-N 3.11Å
257Q88.6Confident84.6Confident108 Ų10875.8 Ų75.851%0.50539%0.388SS..Hα-helixtrans-66.9-28175.8-75.51769.200112.4G253 L254 H255 E259 T260G253-Q257 WeakPolarHBondContact O-CG 3.23Å; G253-Q257 PolarHBondContact O-N 3.28Å; G253-Q257 VanDerWaalsContact O-N 3.09Å; L254-Q257 PolarHBondContact O-N 2.87Å; H255-Q257 PolarHBondContact O-N 3.49Å; Q257-E259 VanDerWaalsContact C-N 3.33Å; Q257-T260 PolarHBondContact O-OG1 2.68Å; Q257-T260 VanDerWaalsContact O-OG1 3.06Å
258I77.8Confident83.8Confident46 Ų4680.3 Ų80.324%0.23641%0.41CS..Hα-helixtrans-69.9-34173.7-63166.6000110.3T43 L254 H255 R256 T260 R261 S262T43-I258 HydrophobicContact CG2-CD1 4.08Å; L254-I258 WeakPolarHBondContact O-CG1 3.48Å; L254-I258 PolarHBondContact O-N 2.95Å; H255-I258 WeakPolarHBondContact O-CB 3.33Å; H255-I258 PolarHBondContact O-N 3.12Å; R256-I258 PolarHBondContact O-N 2.88Å; I258-T260 VanDerWaalsContact C-N 3.31Å; I258-T260 PolarHBondContact O-N 2.78Å; I258-R261 PolarHBondContact O-N 3.1Å; I258-S262 PolarHBondContact O-OG 2.96Å
259E63.5Low83Confident91 Ų9182.4 Ų82.443%0.42542%0.424SS..Hα-helixtrans-60.1-36.9175.2-78.1175.1163.900114.6R204 R256 Q257 R261 S262R204-E259 VanDerWaalsContact CZ-CG 3.42Å; R204-E259 IonicContact CZ-OE1 3.97Å; R204-E259 VanDerWaalsContact NH1-CA 3.33Å; R204-E259 IonicContact NH2-OE1 2.87Å; R204-E259 PolarHBondContact NH2-OE1 3.35Å; R256-E259 VanDerWaalsContact O-CB 3.32Å; R256-E259 WeakPolarHBondContact O-CB 3.44Å; R256-E259 PolarHBondContact O-N 3.22Å; R256-E259 VanDerWaalsContact O-N 3.16Å; Q257-E259 VanDerWaalsContact C-N 3.33Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.88Å; E259-S262 PolarHBondContact O-OG 3.1Å
260T62.2Low82.2Confident116 Ų11683.7 Ų83.771%0.71242%0.415SS*.THydrogen-bonded Turntrans-82.5-8.1-175490000113.4R256 Q257 I258R256-T260 PolarHBondContact O-N 3.11Å; Q257-T260 PolarHBondContact O-OG1 2.68Å; Q257-T260 VanDerWaalsContact O-OG1 3.06Å; I258-T260 VanDerWaalsContact C-N 3.31Å; I258-T260 PolarHBondContact O-N 2.78Å
261R55.9Low81Confident221 Ų22181.2 Ų81.283%0.83441%0.405SS*.THydrogen-bonded Turntrans-108.1-9.8-176.5-69.2-177.6176.6-173.60.4114.3I258 E259I258-R261 PolarHBondContact O-N 3.1Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.88Å
262S49.9Very low79.5Confident135 Ų13588.5 Ų88.594%0.94444%0.442SS*.  trans-97.80176.252.40000111I258 E259I258-S262 PolarHBondContact O-OG 2.96Å; E259-S262 PolarHBondContact O-OG 3.1Å

Retrieved 262 of 262 residues in 57.1 ms (Link to these results)

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