A0A087Y3C8_POEFO Loading...

Chromogranin-A

AlphaFold DB , UniProt , Accession A0A087Y3C8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.7Low62.1Low229 Ų229105.3 Ų105.3100%1.12860%0.603SS**  053.10-63.4151.965.200110.7
2I58.8Low62.2Low144 Ų144105.8 Ų105.874%0.73860%0.601SS**  trans-110.4-40.4-171.3-63171.8000111.9S4 G5 L6I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 2.67Å; I2-G5 PolarHBondContact O-N 2.65Å; I2-L6 PolarHBondContact O-N 2.84Å
3G57Low62.1Low46 Ų46101.5 Ų101.547%0.47458%0.582SS.*Hα-helixtrans-59.2-33.5-178.900000114.9G5 L6 L7G3-G5 PolarHBondContact O-N 2.66Å; G3-L6 PolarHBondContact O-N 3.2Å; G3-L7 PolarHBondContact O-N 3.4Å; G3-L7 VanDerWaalsContact O-N 3.08Å
4S59.8Low61.7Low84 Ų84102.1 Ų102.159%0.58758%0.582SS**Hα-helixtrans-61.3-41.2178.7-39.50000112.6I2 L8I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 2.67Å; S4-L8 PolarHBondContact O-N 3.23Å
5G61.1Low61.4Low44 Ų44108.5 Ų108.545%0.45459%0.594SS.*Hα-helixtrans-70.2-35.6176.800000112.2I2 G3 L8 L9I2-G5 PolarHBondContact O-N 2.65Å; G3-G5 PolarHBondContact O-N 2.66Å; G5-L8 PolarHBondContact O-N 3.49Å; G5-L9 WeakPolarHBondContact O-CB 3.01Å; G5-L9 PolarHBondContact O-N 3.38Å
6L64.2Low61.1Low112 Ų112109.6 Ų109.659%0.58660%0.604SS**Hα-helixtrans-65.1-40.2177.8-141.779000112.1I2 G3 L9 T10I2-L6 PolarHBondContact O-N 2.84Å; G3-L6 PolarHBondContact O-N 3.2Å; L6-L9 PolarHBondContact O-N 3.42Å; L6-T10 PolarHBondContact O-N 3.13Å; L6-T10 PolarHBondContact O-OG1 3.41Å
7L64.3Low60.2Low113 Ų113110.2 Ų110.259%0.59261%0.606SS**Hα-helixtrans-67-41176.5-73.9165.4000112.7G3 L9 T10 I11G3-L7 PolarHBondContact O-N 3.4Å; G3-L7 VanDerWaalsContact O-N 3.08Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-T10 PolarHBondContact O-OG1 3.2Å; L7-T10 VanDerWaalsContact O-OG1 3.08Å; L7-I11 WeakPolarHBondContact O-CD1 3.49Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 3.43Å; L7-I11 VanDerWaalsContact O-N 3.09Å
8L67Low59.2Low113 Ų113108.9 Ų108.959%0.59261%0.605SS**Hα-helixtrans-66.2-39.7173.6-72.4169.7000111.2S4 G5 I11 L12S4-L8 PolarHBondContact O-N 3.23Å; G5-L8 PolarHBondContact O-N 3.49Å; L8-I11 PolarHBondContact O-N 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å
9L63.8Low58.4Low108 Ų108110.3 Ų110.357%0.56561%0.611SS**Hα-helixtrans-62.5-44.7176.8-168.169.4000111.5G5 L6 L7 L12 S13G5-L9 WeakPolarHBondContact O-CB 3.01Å; G5-L9 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.42Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 3.12Å; L9-S13 WeakPolarHBondContact O-CB 3.33Å; L9-S13 PolarHBondContact O-N 3.15Å; L9-S13 PolarHBondContact O-OG 3.37Å; L9-S13 VanDerWaalsContact O-OG 3.05Å
10T64.8Low57.6Low68 Ų68110 Ų11042%0.41761%0.614SS.*Hα-helixtrans-67.4-37.3177.453.20000112.8L6 L7 S13 N14L6-T10 PolarHBondContact O-N 3.13Å; L6-T10 PolarHBondContact O-OG1 3.41Å; L7-T10 PolarHBondContact O-OG1 3.2Å; L7-T10 VanDerWaalsContact O-OG1 3.08Å; T10-S13 PolarHBondContact O-N 3.11Å; T10-N14 WeakPolarHBondContact O-CB 3.38Å; T10-N14 PolarHBondContact O-N 3.22Å; T10-N14 PolarHBondContact O-ND2 3.49Å; T10-N14 PolarHBondContact O-OD1 3.43Å
11I66Low57.1Low97 Ų97109.8 Ų109.850%0.49762%0.615SS.*Hα-helixtrans-65.4-39.3175-67.7166.2000111.3L7 L8 N14 R15L7-I11 WeakPolarHBondContact O-CD1 3.49Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 3.43Å; L7-I11 VanDerWaalsContact O-N 3.09Å; L8-I11 PolarHBondContact O-N 3.31Å; I11-N14 PolarHBondContact O-N 3.24Å; I11-R15 PolarHBondContact O-N 3.33Å
12L63.6Low56.5Low111 Ų111104.4 Ų104.458%0.58160%0.596SS**Hα-helixtrans-71.2-40.5175-69.9170.4000111.9L8 L9 N14 R15 V16L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 3.12Å; L12-N14 VanDerWaalsContact C-N 3.26Å; L12-N14 PolarHBondContact O-N 3.23Å; L12-R15 WeakPolarHBondContact O-CA 3.48Å; L12-R15 PolarHBondContact O-N 3.2Å; L12-V16 PolarHBondContact O-N 3.03Å; L12-V16 VanDerWaalsContact O-N 3.08Å
13S59.8Low56Low51 Ų5199.9 Ų99.936%0.35758%0.577SS.*Hα-helixtrans-57.6-39.7170.6-66.90000111.4L9 T10 R15 V16 L17L9-S13 WeakPolarHBondContact O-CB 3.33Å; L9-S13 PolarHBondContact O-N 3.15Å; L9-S13 PolarHBondContact O-OG 3.37Å; L9-S13 VanDerWaalsContact O-OG 3.05Å; T10-S13 PolarHBondContact O-N 3.11Å; S13-R15 PolarHBondContact O-N 2.8Å; S13-V16 PolarHBondContact O-N 3.02Å; S13-V16 VanDerWaalsContact O-N 3.16Å; S13-L17 VanDerWaalsContact O-CB 3.25Å; S13-L17 WeakPolarHBondContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CG 3.5Å; S13-L17 PolarHBondContact O-N 3.27Å
14N57.2Low55.8Low109 Ų109103 Ų10358%0.58359%0.591SS**Hα-helixtrans-72.3-3.8174.8-67.2-12.2000114.4T10 I11 L12T10-N14 WeakPolarHBondContact O-CB 3.38Å; T10-N14 PolarHBondContact O-N 3.22Å; T10-N14 PolarHBondContact O-ND2 3.49Å; T10-N14 PolarHBondContact O-OD1 3.43Å; I11-N14 PolarHBondContact O-N 3.24Å; L12-N14 VanDerWaalsContact C-N 3.26Å; L12-N14 PolarHBondContact O-N 3.23Å
15R56.3Low55.4Low199 Ų199106.7 Ų106.775%0.75160%0.599SS**Hα-helixtrans-106.1-11.8168-72.2-162178.3-172.52.2114I11 L12 S13 S18I11-R15 PolarHBondContact O-N 3.33Å; L12-R15 WeakPolarHBondContact O-CA 3.48Å; L12-R15 PolarHBondContact O-N 3.2Å; S13-R15 PolarHBondContact O-N 2.8Å; R15-S18 PolarHBondContact O-OG 3.42Å
16V56.9Low55.1Low125 Ų125108.5 Ų108.576%0.75860%0.598SS**Hα-helixtrans-91.5-37.5167.7177.30000110L12 S13 S18L12-V16 PolarHBondContact O-N 3.03Å; L12-V16 VanDerWaalsContact O-N 3.08Å; S13-V16 PolarHBondContact O-N 3.02Å; S13-V16 VanDerWaalsContact O-N 3.16Å; V16-S18 PolarHBondContact O-N 3.37Å; V16-S18 VanDerWaalsContact O-N 3.08Å
17L46.3Very low55Low121 Ų121105.7 Ų105.763%0.63458%0.582SS**SBendtrans-78.371.3161.8-60.4171.5000108.8S13 L19S13-L17 VanDerWaalsContact O-CB 3.25Å; S13-L17 WeakPolarHBondContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CG 3.5Å; S13-L17 PolarHBondContact O-N 3.27Å; L17-L19 PolarHBondContact O-N 3.11Å
18S42Very low55.6Low86 Ų86105.2 Ų105.260%0.60158%0.58SS**  trans-65.379.2179-67.90000112R15 V16R15-S18 PolarHBondContact O-OG 3.42Å; V16-S18 PolarHBondContact O-N 3.37Å; V16-S18 VanDerWaalsContact O-N 3.08Å
19L44.1Very low56.3Low136 Ų136105 Ų10571%0.71258%0.576SS**  trans62141.5-170.4-60.290.1000114.5L17 V21L17-L19 PolarHBondContact O-N 3.11Å; L19-V21 PolarHBondContact O-N 2.82Å
20P42.8Very low57.4Low103 Ų103102.9 Ų102.967%0.66957%0.565SS**  trans-62.1113.2140.331.3-29.9000106.5T22P20-T22 HydrophobicContact CB-CG2 3.94Å; P20-T22 HydrophobicContact CG-CG2 4.22Å; P20-T22 WeakPolarHBondContact O-CG2 3.39Å; P20-T22 PolarHBondContact O-N 2.88Å; P20-T22 PolarHBondContact O-OG1 3.27Å
21V47Very low58.5Low107 Ų107104.1 Ų104.165%0.64857%0.572SS**  trans-62.496.4173.8163.80000107.1L19 E27L19-V21 PolarHBondContact O-N 2.82Å; V21-E27 VanDerWaalsContact C-OE1 3.32Å; V21-E27 HydrophobicContact CG1-CG 3.93Å; V21-E27 WeakPolarHBondContact CG1-OE1 3.22Å; V21-E27 WeakPolarHBondContact CG1-OE2 3.36Å
22T43.6Very low59.6Low116 Ų116104 Ų10471%0.71257%0.569SS**  trans-121.661.7-170.258.70000111.9P20 E27P20-T22 HydrophobicContact CB-CG2 3.94Å; P20-T22 HydrophobicContact CG-CG2 4.22Å; P20-T22 WeakPolarHBondContact O-CG2 3.39Å; P20-T22 PolarHBondContact O-N 2.88Å; P20-T22 PolarHBondContact O-OG1 3.27Å; T22-E27 PolarHBondContact N-OE1 3.08Å
23S48.4Very low60.9Low49 Ų4999.2 Ų99.234%0.34355%0.545SS..  trans-132.758.8168.5-176.40000108.1Q25 L26 E27S23-Q25 CarbonylContact O-C 3.56Å; S23-Q25 PolarHBondContact O-N 3.38Å; S23-L26 PolarHBondContact O-N 2.99Å; S23-L26 VanDerWaalsContact OG-CB 3.22Å; S23-L26 WeakPolarHBondContact OG-CB 3.48Å; S23-E27 VanDerWaalsContact CA-CD 3.46Å; S23-E27 WeakPolarHBondContact CA-OE2 3.33Å; S23-E27 WeakPolarHBondContact CB-OE1 3.19Å; S23-E27 PolarHBondContact N-OE1 3.05Å; S23-E27 PolarHBondContact N-OE2 3.35Å; S23-E27 WeakPolarHBondContact O-CB 3.35Å; S23-E27 PolarHBondContact O-N 3.29Å
24S53.8Low62.4Low110 Ų110102.6 Ų102.677%0.76956%0.557SS**THydrogen-bonded Turntrans-582.2-167.356.60000117.3N28S24-N28 PolarHBondContact O-ND2 2.96Å
25Q51Low64Low163 Ų163103.4 Ų103.476%0.76256%0.555SS**THydrogen-bonded Turntrans-114.9-55.2169.4-171.3171.284.800110.7S23 E27 N28S23-Q25 CarbonylContact O-C 3.56Å; S23-Q25 PolarHBondContact O-N 3.38Å; Q25-E27 PolarHBondContact O-N 2.8Å; Q25-N28 WeakPolarHBondContact CA-ND2 3.32Å; Q25-N28 PolarHBondContact O-N 3.44Å; Q25-N28 PolarHBondContact O-ND2 2.94Å
26L53.6Low65.8Low82 Ų8294 Ų9443%0.42952%0.52SS..Hα-helixtrans-68.2-29.6-175.9-116.2169.1000113.8S23 N28 E29 D30S23-L26 PolarHBondContact O-N 2.99Å; S23-L26 VanDerWaalsContact OG-CB 3.22Å; S23-L26 WeakPolarHBondContact OG-CB 3.48Å; L26-N28 VanDerWaalsContact C-N 3.31Å; L26-N28 PolarHBondContact O-N 3.27Å; L26-E29 PolarHBondContact O-N 3.44Å; L26-D30 PolarHBondContact O-N 2.93Å
27E62.3Low67.4Low52 Ų5291.1 Ų91.124%0.24350%0.499CS..Hα-helixtrans-66.8-29.4176.2-79151.5179.700112.7V21 T22 S23 Q25 D30 V31V21-E27 VanDerWaalsContact C-OE1 3.32Å; V21-E27 HydrophobicContact CG1-CG 3.93Å; V21-E27 WeakPolarHBondContact CG1-OE1 3.22Å; V21-E27 WeakPolarHBondContact CG1-OE2 3.36Å; T22-E27 PolarHBondContact N-OE1 3.08Å; S23-E27 VanDerWaalsContact CA-CD 3.46Å; S23-E27 WeakPolarHBondContact CA-OE2 3.33Å; S23-E27 WeakPolarHBondContact CB-OE1 3.19Å; S23-E27 PolarHBondContact N-OE1 3.05Å; S23-E27 PolarHBondContact N-OE2 3.35Å; S23-E27 WeakPolarHBondContact O-CB 3.35Å; S23-E27 PolarHBondContact O-N 3.29Å; Q25-E27 PolarHBondContact O-N 2.8Å; E27-D30 PolarHBondContact O-N 3.35Å; E27-V31 WeakPolarHBondContact O-CB 3.37Å; E27-V31 WeakPolarHBondContact O-CG2 3.36Å; E27-V31 PolarHBondContact O-N 2.91Å
28N76.9Confident69.5Low103 Ų10389.8 Ų89.855%0.55150%0.496SS*.Hα-helixtrans-66.7-41.8179.4-52.8-80.4000111S24 Q25 L26 V31 E32S24-N28 PolarHBondContact O-ND2 2.96Å; Q25-N28 WeakPolarHBondContact CA-ND2 3.32Å; Q25-N28 PolarHBondContact O-N 3.44Å; Q25-N28 PolarHBondContact O-ND2 2.94Å; L26-N28 VanDerWaalsContact C-N 3.31Å; L26-N28 PolarHBondContact O-N 3.27Å; N28-V31 PolarHBondContact O-N 3.33Å; N28-E32 PolarHBondContact O-N 2.89Å
29E83Confident71.9Confident110 Ų11088.1 Ų88.151%0.51448%0.479SS..Hα-helixtrans-63.8-47.1175.4-60.5-178.4167.600111.1L26 V31 E32 V33L26-E29 PolarHBondContact O-N 3.44Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 2.95Å; E29-E32 PolarHBondContact O-N 3.32Å; E29-V33 WeakPolarHBondContact O-CB 3.36Å; E29-V33 WeakPolarHBondContact O-CG2 3.42Å; E29-V33 PolarHBondContact O-N 3.11Å
30D86.3Confident74Confident63 Ų6383 Ų8334%0.33746%0.456SS..Hα-helixtrans-71-27.3-179.1-73-24.4000112.3L26 E27 M34 K66L26-D30 PolarHBondContact O-N 2.93Å; E27-D30 PolarHBondContact O-N 3.35Å; D30-M34 VanDerWaalsContact O-CB 3.25Å; D30-M34 WeakPolarHBondContact O-CB 3.39Å; D30-M34 PolarHBondContact O-N 3.03Å; D30-K66 IonicContact OD1-NZ 3.65Å; D30-K66 PolarHBondContact OD1-NZ 3.42Å; D30-K66 IonicContact OD2-NZ 2.85Å; D30-K66 PolarHBondContact OD2-NZ 3.34Å
31V87.6Confident76.1Confident94 Ų9482.6 Ų82.657%0.5745%0.448SS*.Hα-helixtrans-71.6-40.1169.61660000111.8E27 N28 E29 M34 K35E27-V31 WeakPolarHBondContact O-CB 3.37Å; E27-V31 WeakPolarHBondContact O-CG2 3.36Å; E27-V31 PolarHBondContact O-N 2.91Å; N28-V31 PolarHBondContact O-N 3.33Å; E29-V31 VanDerWaalsContact C-N 3.32Å; E29-V31 PolarHBondContact O-N 2.95Å; V31-M34 PolarHBondContact O-N 3.37Å; V31-K35 WeakPolarHBondContact O-CB 3.37Å; V31-K35 PolarHBondContact O-N 2.97Å
32E88.8Confident78Confident93 Ų9379.8 Ų79.844%0.43544%0.436SS..Hα-helixtrans-63.7-46.4173.3-168.9-170.4132.100110.7N28 E29 M34 K35 C36 T60N28-E32 PolarHBondContact O-N 2.89Å; E29-E32 PolarHBondContact O-N 3.32Å; E32-M34 VanDerWaalsContact C-N 3.31Å; E32-M34 PolarHBondContact O-N 3.33Å; E32-K35 WeakPolarHBondContact O-CB 3.5Å; E32-K35 PolarHBondContact O-N 3.33Å; E32-C36 WeakPolarHBondContact O-CB 3.42Å; E32-C36 PolarHBondContact O-N 3.44Å; E32-C36 PolarHBondContact O-SG 3.37Å; E32-T60 PolarHBondContact OE1-OG1 2.96Å; E32-T60 VanDerWaalsContact OE1-OG1 3.07Å
33V91.3Very high80Confident12 Ų1276 Ų767%0.07341%0.411CS..Hα-helixtrans-57.5-43.8173.1170.80000110.8E29 C36 I37 T60 L61 N64E29-V33 WeakPolarHBondContact O-CB 3.36Å; E29-V33 WeakPolarHBondContact O-CG2 3.42Å; E29-V33 PolarHBondContact O-N 3.11Å; V33-C36 WeakPolarHBondContact O-CB 3.44Å; V33-C36 PolarHBondContact O-N 3.4Å; V33-I37 HydrophobicContact CG1-CD1 4.03Å; V33-I37 WeakPolarHBondContact O-CG1 3.46Å; V33-I37 PolarHBondContact O-N 2.93Å; V33-T60 HydrophobicContact CG2-CG2 3.81Å; V33-L61 HydrophobicContact CG1-CD2 4.22Å; V33-N64 HydrophobicContact CG2-CB 4.34Å; V33-N64 WeakPolarHBondContact CG2-ND2 3.18Å
34M90.6Very high81.7Confident122 Ų12277.8 Ų77.860%0.60142%0.42SS*.Hα-helixtrans-64.3-44177.5-171.2-178.9-59.500112.4D30 V31 E32 C36 I37 V38D30-M34 VanDerWaalsContact O-CB 3.25Å; D30-M34 WeakPolarHBondContact O-CB 3.39Å; D30-M34 PolarHBondContact O-N 3.03Å; V31-M34 PolarHBondContact O-N 3.37Å; E32-M34 VanDerWaalsContact C-N 3.31Å; E32-M34 PolarHBondContact O-N 3.33Å; M34-C36 VanDerWaalsContact C-N 3.26Å; M34-C36 PolarHBondContact O-N 2.81Å; M34-I37 PolarHBondContact O-N 2.82Å; M34-V38 WeakPolarHBondContact O-CG2 3.25Å; M34-V38 PolarHBondContact O-N 3.02Å
35K91.8Very high82.9Confident126 Ų12679 Ų7955%0.54842%0.417SS..Hα-helixtrans-54.4-45.9171.7174.6-162.8168-157.50110.3V31 E32 V38 E39V31-K35 WeakPolarHBondContact O-CB 3.37Å; V31-K35 PolarHBondContact O-N 2.97Å; E32-K35 WeakPolarHBondContact O-CB 3.5Å; E32-K35 PolarHBondContact O-N 3.33Å; K35-V38 PolarHBondContact O-N 3.16Å; K35-E39 WeakPolarHBondContact O-CB 3.38Å; K35-E39 PolarHBondContact O-N 3.08Å
36C93.1Very high84.2Confident1 Ų173.1 Ų73.11%0.00739%0.394CS..Hα-helixtrans-67.8-34.7179.1-66.60000113.8E32 V33 M34 E39 A40 C57 L61E32-C36 WeakPolarHBondContact O-CB 3.42Å; E32-C36 PolarHBondContact O-N 3.44Å; E32-C36 PolarHBondContact O-SG 3.37Å; V33-C36 WeakPolarHBondContact O-CB 3.44Å; V33-C36 PolarHBondContact O-N 3.4Å; M34-C36 VanDerWaalsContact C-N 3.26Å; M34-C36 PolarHBondContact O-N 2.81Å; C36-E39 PolarHBondContact O-N 3.24Å; C36-A40 WeakPolarHBondContact O-CB 3.25Å; C36-A40 PolarHBondContact O-N 2.88Å; C36-C57 WeakPolarHBondContact CA-SG 3.28Å; C36-C57 HydrophobicContact CB-CB 3.41Å; C36-C57 VanDerWaalsContact CB-CB 3.41Å; C36-C57 WeakPolarHBondContact CB-SG 3.3Å; C36-C57 WeakPolarHBondContact SG-CA 3.27Å; C36-C57 WeakPolarHBondContact SG-CB 3.33Å; C36-C57 CovalentContact SG-SG 2.04Å; C36-C57 PolarHBondContact SG-SG 3.35Å; C36-L61 HydrophobicContact CB-CD1 4.02Å; C36-L61 HydrophobicContact CB-CD2 3.93Å; C36-L61 HydrophobicContact CB-CG 3.83Å
37I91.8Very high85.2Confident65 Ų6579.1 Ų79.133%0.33341%0.411SS..Hα-helixtrans-63.3-45.2170.5-69.2167.2000110.2V33 M34 E39 A40 L41 L61V33-I37 HydrophobicContact CG1-CD1 4.03Å; V33-I37 WeakPolarHBondContact O-CG1 3.46Å; V33-I37 PolarHBondContact O-N 2.93Å; M34-I37 PolarHBondContact O-N 2.82Å; I37-E39 VanDerWaalsContact C-N 3.35Å; I37-E39 PolarHBondContact O-N 3.08Å; I37-A40 PolarHBondContact O-N 2.77Å; I37-L41 HydrophobicContact CG2-CD1 3.95Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CB 3.3Å; I37-L41 VanDerWaalsContact O-CG 3.32Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 3.08Å; I37-L61 HydrophobicContact CG1-CD2 3.69Å
38V90.8Very high85.3Confident92 Ų9282.9 Ų82.956%0.55844%0.439SS*.Hα-helixtrans-63.4-40.4177.7172.20000111.3M34 K35 L41 A42M34-V38 WeakPolarHBondContact O-CG2 3.25Å; M34-V38 PolarHBondContact O-N 3.02Å; K35-V38 PolarHBondContact O-N 3.16Å; V38-L41 PolarHBondContact O-N 3.09Å; V38-A42 WeakPolarHBondContact O-CB 3.48Å; V38-A42 PolarHBondContact O-N 3.4Å
39E91.6Very high84.3Confident51 Ų5186 Ų8624%0.23845%0.448CS..Hα-helixtrans-63.1-43.7175.5-165.1176.211700112K35 C36 I37 A42 D43 V53 S54K35-E39 WeakPolarHBondContact O-CB 3.38Å; K35-E39 PolarHBondContact O-N 3.08Å; C36-E39 PolarHBondContact O-N 3.24Å; I37-E39 VanDerWaalsContact C-N 3.35Å; I37-E39 PolarHBondContact O-N 3.08Å; E39-A42 WeakPolarHBondContact O-CB 3.47Å; E39-A42 PolarHBondContact O-N 3.32Å; E39-D43 PolarHBondContact O-N 2.95Å; E39-D43 VanDerWaalsContact O-N 3.14Å; E39-V53 HydrophobicContact CG-CG1 4.37Å; E39-S54 WeakPolarHBondContact OE1-CB 3.14Å; E39-S54 PolarHBondContact OE1-N 3.01Å; E39-S54 PolarHBondContact OE1-OG 3.02Å
40A88.9Confident83.6Confident28 Ų2888.3 Ų88.323%0.23146%0.459CS..Hα-helixtrans-66.4-37.5175.600000113.4C36 I37 V44 V53 L61C36-A40 WeakPolarHBondContact O-CB 3.25Å; C36-A40 PolarHBondContact O-N 2.88Å; I37-A40 PolarHBondContact O-N 2.77Å; A40-V44 WeakPolarHBondContact O-CG2 3.46Å; A40-V44 PolarHBondContact O-N 3.3Å; A40-V53 HydrophobicContact CB-CG1 4.47Å; A40-V53 HydrophobicContact CB-CG2 4.16Å; A40-L61 HydrophobicContact CB-CD1 4.34Å
41L87.2Confident82.8Confident96 Ų9689.6 Ų89.650%0.50347%0.469SS..Hα-helixtrans-69.1-37.2172.9-70.6172.5000111.5I37 V38 V44 L45I37-L41 HydrophobicContact CG2-CD1 3.95Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CB 3.3Å; I37-L41 VanDerWaalsContact O-CG 3.32Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 3.08Å; V38-L41 PolarHBondContact O-N 3.09Å; L41-V44 PolarHBondContact O-N 3.37Å; L41-L45 HydrophobicContact CB-CD1 4.49Å; L41-L45 VanDerWaalsContact O-CB 3.29Å; L41-L45 WeakPolarHBondContact O-CB 3.15Å; L41-L45 WeakPolarHBondContact O-CD1 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.31Å
42A85.7Confident82.3Confident48 Ų4890.2 Ų90.240%0.39748%0.475SS..Hα-helixtrans-59.5-49.6177.100000111.2V38 E39 V44 L45 S46V38-A42 WeakPolarHBondContact O-CB 3.48Å; V38-A42 PolarHBondContact O-N 3.4Å; E39-A42 WeakPolarHBondContact O-CB 3.47Å; E39-A42 PolarHBondContact O-N 3.32Å; A42-V44 PolarHBondContact O-N 3.39Å; A42-L45 PolarHBondContact O-N 3.41Å; A42-S46 WeakPolarHBondContact O-CB 3.28Å; A42-S46 PolarHBondContact O-N 2.96Å; A42-S46 PolarHBondContact O-OG 2.9Å
43D86.7Confident82.3Confident35 Ų3586.6 Ų86.619%0.18746%0.459CS..Hα-helixtrans-56-47178.3-171.127.5000112.7E39 L45 S46 Q50 V51 V53E39-D43 PolarHBondContact O-N 2.95Å; E39-D43 VanDerWaalsContact O-N 3.14Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.06Å; D43-S46 PolarHBondContact O-OG 3.45Å; D43-Q50 VanDerWaalsContact OD1-CA 3.3Å; D43-Q50 WeakPolarHBondContact OD1-CA 3.37Å; D43-Q50 WeakPolarHBondContact OD1-CB 3.37Å; D43-V51 VanDerWaalsContact CB-O 3.26Å; D43-V51 WeakPolarHBondContact CB-O 3.45Å; D43-V51 VanDerWaalsContact CG-O 3.26Å; D43-V51 PolarHBondContact OD1-N 2.89Å; D43-V53 HydrophobicContact CB-CG2 3.96Å
44V82.4Confident82.2Confident88 Ų8887.8 Ų87.853%0.53347%0.468SS..Hα-helixtrans-65.5-33.8-179.6174.10000112.4A40 L41 A42 R47A40-V44 WeakPolarHBondContact O-CG2 3.46Å; A40-V44 PolarHBondContact O-N 3.3Å; L41-V44 PolarHBondContact O-N 3.37Å; A42-V44 PolarHBondContact O-N 3.39Å; V44-R47 PolarHBondContact O-NE 2.97Å
45L79.9Confident82.2Confident135 Ų13588.4 Ų88.471%0.70747%0.469SS*.Hα-helixtrans-92-25.4-176.3-65.7172.7000113.8L41 A42 D43 R47L41-L45 HydrophobicContact CB-CD1 4.49Å; L41-L45 VanDerWaalsContact O-CB 3.29Å; L41-L45 WeakPolarHBondContact O-CB 3.15Å; L41-L45 WeakPolarHBondContact O-CD1 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.31Å; A42-L45 PolarHBondContact O-N 3.41Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.06Å; L45-R47 PolarHBondContact O-N 3.44Å
46S77.3Confident82.1Confident39 Ų3989.6 Ų89.627%0.27348%0.477SS..SBendtrans-7120.1-17254.40000116.3A42 D43 K49A42-S46 WeakPolarHBondContact O-CB 3.28Å; A42-S46 PolarHBondContact O-N 2.96Å; A42-S46 PolarHBondContact O-OG 2.9Å; D43-S46 PolarHBondContact O-OG 3.45Å; S46-K49 WeakPolarHBondContact CB-O 3.49Å; S46-K49 CarbonylContact O-C 3.56Å; S46-K49 PolarHBondContact O-N 3.32Å; S46-K49 PolarHBondContact OG-O 3.45Å
47R75.8Confident82.1Confident209 Ų20989.7 Ų89.779%0.78948%0.477SS*.THydrogen-bonded Turntrans-54.4129.2-177.5-61.2-178.8-178.6-129.6-1110.8V44 L45V44-R47 PolarHBondContact O-NE 2.97Å; L45-R47 PolarHBondContact O-N 3.44Å
48P63.4Low82Confident130 Ų13089 Ų8984%0.84447%0.474SS*.THydrogen-bonded Turncis-94.70.612.837.3-37.1000115.8
49K57.2Low82Confident168 Ų16889 Ų8973%0.7347%0.471SS*.SBendtrans-99.488.8-175.7-67.7-178.3-179.8179.10110.5S46 V51S46-K49 WeakPolarHBondContact CB-O 3.49Å; S46-K49 CarbonylContact O-C 3.56Å; S46-K49 PolarHBondContact O-N 3.32Å; S46-K49 PolarHBondContact OG-O 3.45Å; K49-V51 PolarHBondContact O-N 3.35Å
50Q66.8Low82Confident160 Ų16088 Ų8875%0.74847%0.468SS*.  trans-54.5131.9169.3-74.3171.3-13.800110.2D43D43-Q50 VanDerWaalsContact OD1-CA 3.3Å; D43-Q50 WeakPolarHBondContact OD1-CA 3.37Å; D43-Q50 WeakPolarHBondContact OD1-CB 3.37Å
51V69.4Low82.1Confident89 Ų8987.9 Ų87.954%0.53946%0.464SS..  trans-115.790.4176.4179.50000105.1D43 K49 V53D43-V51 VanDerWaalsContact CB-O 3.26Å; D43-V51 WeakPolarHBondContact CB-O 3.45Å; D43-V51 VanDerWaalsContact CG-O 3.26Å; D43-V51 PolarHBondContact OD1-N 2.89Å; K49-V51 PolarHBondContact O-N 3.35Å; V51-V53 PolarHBondContact O-N 2.94Å
52P78.4Confident82.1Confident108 Ų10889.4 Ų89.470%0.70147%0.466SS*.PPolyproline II helixtrans-62.4128-163.924.6-34.7000111.1S54P52-S54 PolarHBondContact O-N 2.73Å
53V87.8Confident82.4Confident17 Ų1791.9 Ų91.910%0.10348%0.477CS..PPolyproline II helixtrans-54132.8-179.9-166.80000110.6E39 A40 D43 V51 C57 L58E39-V53 HydrophobicContact CG-CG1 4.37Å; A40-V53 HydrophobicContact CB-CG1 4.47Å; A40-V53 HydrophobicContact CB-CG2 4.16Å; D43-V53 HydrophobicContact CB-CG2 3.96Å; V51-V53 PolarHBondContact O-N 2.94Å; V53-C57 HydrophobicContact CG1-CB 3.96Å; V53-L58 HydrophobicContact CB-CD1 4.33Å; V53-L58 HydrophobicContact CB-CD2 4.07Å; V53-L58 HydrophobicContact CB-CG 3.99Å; V53-L58 HydrophobicContact CG1-CD2 3.99Å; V53-L58 HydrophobicContact CG1-CG 3.89Å
54S90.1Very high82.7Confident37 Ų3791.3 Ų91.326%0.25947%0.474SS..PPolyproline II helixtrans-58.3144.6178.260.60000111.4E39 P52 E56 C57 L58E39-S54 WeakPolarHBondContact OE1-CB 3.14Å; E39-S54 PolarHBondContact OE1-N 3.01Å; E39-S54 PolarHBondContact OE1-OG 3.02Å; P52-S54 PolarHBondContact O-N 2.73Å; S54-E56 PolarHBondContact O-N 3.41Å; S54-C57 PolarHBondContact O-N 3.17Å; S54-C57 VanDerWaalsContact OG-CB 3.3Å; S54-C57 WeakPolarHBondContact OG-CB 3.1Å; S54-C57 PolarHBondContact OG-N 3.5Å; S54-C57 PolarHBondContact OG-SG 3.19Å; S54-L58 WeakPolarHBondContact O-CG 3.48Å; S54-L58 PolarHBondContact O-N 3.5Å
55Q89.8Confident83Confident134 Ų13492.6 Ų92.663%0.62647%0.474SS*.Hα-helixtrans-66.3-28.5-179.2-62.1-57.3-60.100112L58 N59Q55-L58 PolarHBondContact O-N 2.9Å; Q55-N59 WeakPolarHBondContact O-CB 3.37Å; Q55-N59 PolarHBondContact O-N 3.43Å; Q55-N59 PolarHBondContact O-ND2 3.3Å; Q55-N59 VanDerWaalsContact O-ND2 3.15Å
56E90.1Very high83.5Confident151 Ų15190 Ų9071%0.70646%0.457SS*.Hα-helixtrans-59.4-56.8170.2-70.1163.2-168.200110.1S54 L58 N59 T60S54-E56 PolarHBondContact O-N 3.41Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.28Å; E56-N59 WeakPolarHBondContact O-CA 3.32Å; E56-N59 WeakPolarHBondContact O-CB 3.19Å; E56-N59 PolarHBondContact O-N 3.29Å; E56-T60 PolarHBondContact O-N 2.93Å; E56-T60 PolarHBondContact O-OG1 2.95Å
57C92.3Very high84Confident3 Ų389.6 Ų89.62%0.0245%0.452CS..Hα-helixtrans-60.7-38.5176.2-79.70000113.8C36 V53 S54 N59 T60 L61C36-C57 WeakPolarHBondContact CA-SG 3.28Å; C36-C57 HydrophobicContact CB-CB 3.41Å; C36-C57 VanDerWaalsContact CB-CB 3.41Å; C36-C57 WeakPolarHBondContact CB-SG 3.3Å; C36-C57 WeakPolarHBondContact SG-CA 3.27Å; C36-C57 WeakPolarHBondContact SG-CB 3.33Å; C36-C57 CovalentContact SG-SG 2.04Å; C36-C57 PolarHBondContact SG-SG 3.35Å; V53-C57 HydrophobicContact CG1-CB 3.96Å; S54-C57 PolarHBondContact O-N 3.17Å; S54-C57 VanDerWaalsContact OG-CB 3.3Å; S54-C57 WeakPolarHBondContact OG-CB 3.1Å; S54-C57 PolarHBondContact OG-N 3.5Å; S54-C57 PolarHBondContact OG-SG 3.19Å; C57-N59 PolarHBondContact O-N 2.91Å; C57-T60 PolarHBondContact O-N 3.36Å; C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.3Å; C57-L61 PolarHBondContact O-N 2.74Å
58L89.9Confident84.6Confident52 Ų5280.9 Ų80.927%0.27242%0.42SS..Hα-helixtrans-66.5-17.8174-71.7177000113.8V53 S54 Q55 E56 K62V53-L58 HydrophobicContact CB-CD1 4.33Å; V53-L58 HydrophobicContact CB-CD2 4.07Å; V53-L58 HydrophobicContact CB-CG 3.99Å; V53-L58 HydrophobicContact CG1-CD2 3.99Å; V53-L58 HydrophobicContact CG1-CG 3.89Å; S54-L58 WeakPolarHBondContact O-CG 3.48Å; S54-L58 PolarHBondContact O-N 3.5Å; Q55-L58 PolarHBondContact O-N 2.9Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.28Å; L58-K62 WeakPolarHBondContact O-CD 3.46Å; L58-K62 WeakPolarHBondContact O-CE 3.26Å; L58-K62 WeakPolarHBondContact O-CG 3.35Å; L58-K62 PolarHBondContact O-NZ 3.3Å
59N91.4Very high85.9Confident90 Ų9077.5 Ų77.548%0.48140%0.398SS..Hα-helixtrans-88.8-52171.5-69.7-25.2000110.1Q55 E56 C57 L61 K62 T63Q55-N59 WeakPolarHBondContact O-CB 3.37Å; Q55-N59 PolarHBondContact O-N 3.43Å; Q55-N59 PolarHBondContact O-ND2 3.3Å; Q55-N59 VanDerWaalsContact O-ND2 3.15Å; E56-N59 WeakPolarHBondContact O-CA 3.32Å; E56-N59 WeakPolarHBondContact O-CB 3.19Å; E56-N59 PolarHBondContact O-N 3.29Å; C57-N59 PolarHBondContact O-N 2.91Å; N59-L61 VanDerWaalsContact C-N 3.27Å; N59-L61 PolarHBondContact O-N 3.11Å; N59-K62 CarbonylContact O-C 3.46Å; N59-K62 WeakPolarHBondContact O-CA 3.42Å; N59-K62 PolarHBondContact O-N 3.15Å; N59-T63 PolarHBondContact O-N 3.04Å; N59-T63 PolarHBondContact O-OG1 3.4Å; N59-T63 VanDerWaalsContact O-OG1 3.09Å
60T90.9Very high87.4Confident30 Ų3072.9 Ų72.918%0.18438%0.38CS..Hα-helixtrans-52.2-42.8177.6-58.80000112E32 V33 E56 C57 K62 T63 N64E32-T60 PolarHBondContact OE1-OG1 2.96Å; E32-T60 VanDerWaalsContact OE1-OG1 3.07Å; V33-T60 HydrophobicContact CG2-CG2 3.81Å; E56-T60 PolarHBondContact O-N 2.93Å; E56-T60 PolarHBondContact O-OG1 2.95Å; C57-T60 PolarHBondContact O-N 3.36Å; T60-K62 VanDerWaalsContact C-N 3.33Å; T60-K62 PolarHBondContact O-N 3.09Å; T60-T63 PolarHBondContact O-OG1 3.42Å; T60-N64 VanDerWaalsContact O-CB 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.47Å; T60-N64 PolarHBondContact O-N 3.04Å; T60-N64 VanDerWaalsContact O-N 3.12Å
61L90.4Very high88.3Confident27 Ų2768 Ų6814%0.14136%0.359CS..Hα-helixtrans-70.4-22.8176-64.9172.9000114.4V33 C36 I37 A40 C57 N59 L67V33-L61 HydrophobicContact CG1-CD2 4.22Å; C36-L61 HydrophobicContact CB-CD1 4.02Å; C36-L61 HydrophobicContact CB-CD2 3.93Å; C36-L61 HydrophobicContact CB-CG 3.83Å; I37-L61 HydrophobicContact CG1-CD2 3.69Å; A40-L61 HydrophobicContact CB-CD1 4.34Å; C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.3Å; C57-L61 PolarHBondContact O-N 2.74Å; N59-L61 VanDerWaalsContact C-N 3.27Å; N59-L61 PolarHBondContact O-N 3.11Å; L61-L67 HydrophobicContact CB-CD2 4.19Å; L61-L67 HydrophobicContact CD2-CD2 3.59Å; L61-L67 HydrophobicContact CG-CD2 4.49Å
62K89.1Confident89Confident127 Ų12771.6 Ų71.655%0.55236%0.363SS*.Hα-helixtrans-91.6-24.3177.6-72.4175.3-159.3143.90113.2L58 N59 T60 L68L58-K62 WeakPolarHBondContact O-CD 3.46Å; L58-K62 WeakPolarHBondContact O-CE 3.26Å; L58-K62 WeakPolarHBondContact O-CG 3.35Å; L58-K62 PolarHBondContact O-NZ 3.3Å; N59-K62 CarbonylContact O-C 3.46Å; N59-K62 WeakPolarHBondContact O-CA 3.42Å; N59-K62 PolarHBondContact O-N 3.15Å; T60-K62 VanDerWaalsContact C-N 3.33Å; T60-K62 PolarHBondContact O-N 3.09Å; K62-L68 WeakPolarHBondContact O-CD1 3.45Å
63T91.4Very high89.1Confident101 Ų10173 Ų7362%0.6236%0.36SS*.Hα-helixtrans-95.2-14.3179.354.60000113.2N59 T60 E65N59-T63 PolarHBondContact O-N 3.04Å; N59-T63 PolarHBondContact O-OG1 3.4Å; N59-T63 VanDerWaalsContact O-OG1 3.09Å; T60-T63 PolarHBondContact O-OG1 3.42Å; T63-E65 PolarHBondContact O-N 2.88Å; T63-E65 VanDerWaalsContact O-N 3.13Å
64N91.8Very high88.4Confident23 Ų2377.9 Ų77.912%0.12338%0.381CS..  trans-73.9103.2177.9-172.1-71.5000111.4V33 T60 K66 L67 L68V33-N64 HydrophobicContact CG2-CB 4.34Å; V33-N64 WeakPolarHBondContact CG2-ND2 3.18Å; T60-N64 VanDerWaalsContact O-CB 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.47Å; T60-N64 PolarHBondContact O-N 3.04Å; T60-N64 VanDerWaalsContact O-N 3.12Å; N64-K66 VanDerWaalsContact C-N 3.28Å; N64-K66 PolarHBondContact O-N 2.96Å; N64-K66 WeakPolarHBondContact OD1-CA 3.32Å; N64-K66 VanDerWaalsContact OD1-CB 3.25Å; N64-K66 WeakPolarHBondContact OD1-CB 3.42Å; N64-K66 PolarHBondContact OD1-N 2.95Å; N64-K66 VanDerWaalsContact OD1-N 3.09Å; N64-L67 HydrophobicContact CB-CB 4.19Å; N64-L67 PolarHBondContact O-N 3.43Å; N64-L67 PolarHBondContact OD1-N 3.35Å; N64-L68 PolarHBondContact O-N 2.9Å
65E89.9Confident88.1Confident114 Ų11481.5 Ų81.553%0.53340%0.397SS..Hα-helixtrans-65.7-23.6-179.3-68.4-63.4163.400113.9T63 T69T63-E65 PolarHBondContact O-N 2.88Å; T63-E65 VanDerWaalsContact O-N 3.13Å; E65-T69 WeakPolarHBondContact O-CB 3.49Å; E65-T69 VanDerWaalsContact O-CG2 3.3Å; E65-T69 WeakPolarHBondContact O-CG2 3.29Å; E65-T69 PolarHBondContact O-N 2.74Å; E65-T69 PolarHBondContact O-OG1 2.87Å
66K89.1Confident88Confident82 Ų8278.6 Ų78.636%0.35738%0.383SS..Hα-helixtrans-63.9-48.2171.8-47.2172.9-172.21620109.7D30 N64 T69 I70D30-K66 IonicContact OD1-NZ 3.65Å; D30-K66 PolarHBondContact OD1-NZ 3.42Å; D30-K66 IonicContact OD2-NZ 2.85Å; D30-K66 PolarHBondContact OD2-NZ 3.34Å; N64-K66 VanDerWaalsContact C-N 3.28Å; N64-K66 PolarHBondContact O-N 2.96Å; N64-K66 WeakPolarHBondContact OD1-CA 3.32Å; N64-K66 VanDerWaalsContact OD1-CB 3.25Å; N64-K66 WeakPolarHBondContact OD1-CB 3.42Å; N64-K66 PolarHBondContact OD1-N 2.95Å; N64-K66 VanDerWaalsContact OD1-N 3.09Å; K66-T69 PolarHBondContact O-N 3.45Å; K66-T69 PolarHBondContact O-OG1 3.11Å; K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.28Å; K66-I70 WeakPolarHBondContact O-CG1 3.38Å; K66-I70 PolarHBondContact O-N 2.88Å
67L89.7Confident87.8Confident30 Ų3076.2 Ų76.216%0.15738%0.375CS..Hα-helixtrans-67-42.5178.4-173.660.5000111.5L61 N64 T69 I70 L71L61-L67 HydrophobicContact CB-CD2 4.19Å; L61-L67 HydrophobicContact CD2-CD2 3.59Å; L61-L67 HydrophobicContact CG-CD2 4.49Å; N64-L67 HydrophobicContact CB-CB 4.19Å; N64-L67 PolarHBondContact O-N 3.43Å; N64-L67 PolarHBondContact OD1-N 3.35Å; L67-T69 PolarHBondContact O-N 3.38Å; L67-I70 PolarHBondContact O-N 3.14Å; L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 3.84Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 WeakPolarHBondContact O-CB 3.09Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.04Å
68L88.2Confident87.6Confident25 Ų2582.2 Ų82.213%0.13140%0.4CS..Hα-helixtrans-62.2-39.9174.8-69.7179.6000112.7K62 N64 R72K62-L68 WeakPolarHBondContact O-CD1 3.45Å; N64-L68 PolarHBondContact O-N 2.9Å; L68-R72 VanDerWaalsContact O-CB 3.26Å; L68-R72 WeakPolarHBondContact O-CB 3.2Å; L68-R72 WeakPolarHBondContact O-CD 3.32Å; L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.28Å; L68-R72 VanDerWaalsContact O-N 3.07Å
69T89.6Confident87.6Confident60 Ų6084.2 Ų84.237%0.36841%0.408SS..Hα-helixtrans-69-42.8178.146.60000111.4E65 K66 L67 R72 H73E65-T69 WeakPolarHBondContact O-CB 3.49Å; E65-T69 VanDerWaalsContact O-CG2 3.3Å; E65-T69 WeakPolarHBondContact O-CG2 3.29Å; E65-T69 PolarHBondContact O-N 2.74Å; E65-T69 PolarHBondContact O-OG1 2.87Å; K66-T69 PolarHBondContact O-N 3.45Å; K66-T69 PolarHBondContact O-OG1 3.11Å; L67-T69 PolarHBondContact O-N 3.38Å; T69-R72 PolarHBondContact O-N 3.39Å; T69-H73 WeakPolarHBondContact O-CB 3.18Å; T69-H73 PolarHBondContact O-N 2.89Å; T69-H73 PolarHBondContact O-ND1 2.93Å
70I88.4Confident87.3Confident70 Ų7083.8 Ų83.836%0.35941%0.405SS..Hα-helixtrans-57-52.3172.7-68.6163.4000110.8K66 L67 R72 H74 F76K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.28Å; K66-I70 WeakPolarHBondContact O-CG1 3.38Å; K66-I70 PolarHBondContact O-N 2.88Å; L67-I70 PolarHBondContact O-N 3.14Å; I70-R72 VanDerWaalsContact C-N 3.26Å; I70-R72 PolarHBondContact O-N 3.27Å; I70-H74 WeakPolarHBondContact O-CB 3.48Å; I70-H74 PolarHBondContact O-N 3.14Å; I70-F76 HydrophobicContact CG2-CB 4.5Å; I70-F76 HydrophobicContact CG2-CD1 3.83Å; I70-F76 HydrophobicContact CG2-CE1 4.18Å; I70-F76 HydrophobicContact CG2-CG 4.14Å
71L86.6Confident87.1Confident57 Ų5789.2 Ų89.230%0.29843%0.429SS..Hα-helixtrans-65-23.6-177.9-70.2169.6000114.3L67 F76 L77L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 3.84Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 WeakPolarHBondContact O-CB 3.09Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.04Å; L71-F76 HydrophobicContact CD2-CD1 4.09Å; L71-F76 HydrophobicContact CD2-CE1 4.21Å; L71-L77 HydrophobicContact CD2-CD1 4.46Å; L71-L77 HydrophobicContact CD2-CD2 3.73Å; L71-L77 HydrophobicContact CD2-CG 3.95Å; L71-L77 WeakPolarHBondContact O-CD1 3.34Å
72R84.8Confident87.1Confident166 Ų16693.4 Ų93.463%0.62645%0.448SS*.Hα-helixtrans-97.7-35.7-177.8-70.8171-176.4158.52.7114.3L68 T69 I70L68-R72 VanDerWaalsContact O-CB 3.26Å; L68-R72 WeakPolarHBondContact O-CB 3.2Å; L68-R72 WeakPolarHBondContact O-CD 3.32Å; L68-R72 WeakPolarHBondContact O-CG 3.41Å; L68-R72 PolarHBondContact O-N 3.28Å; L68-R72 VanDerWaalsContact O-N 3.07Å; T69-R72 PolarHBondContact O-N 3.39Å; I70-R72 VanDerWaalsContact C-N 3.26Å; I70-R72 PolarHBondContact O-N 3.27Å
73H80Confident87Confident138 Ų13892.8 Ų92.864%0.63945%0.449SS*.Hα-helixtrans-102.7-27.5-169.9-59.287.1000113.5T69T69-H73 WeakPolarHBondContact O-CB 3.18Å; T69-H73 PolarHBondContact O-N 2.89Å; T69-H73 PolarHBondContact O-ND1 2.93Å
74H72.8Confident86.8Confident119 Ų11991 Ų9155%0.55145%0.445SS*.SBendtrans-91.2148.1176.1-63.6-106.2000109.4I70 F76I70-H74 WeakPolarHBondContact O-CB 3.48Å; I70-H74 PolarHBondContact O-N 3.14Å; H74-F76 HydrophobicContact CB-CB 3.84Å; H74-F76 PolarHBondContact O-N 2.9Å
75N83Confident86.5Confident112 Ų11292.2 Ų92.260%0.59946%0.458SS*.THydrogen-bonded Turntrans-69.24.4171-70.1-79.8000112.1L77 K78 E79N75-L77 VanDerWaalsContact C-N 3.25Å; N75-L77 PolarHBondContact O-N 3.18Å; N75-K78 CarbonylContact O-C 3.52Å; N75-K78 WeakPolarHBondContact O-CA 3.41Å; N75-K78 VanDerWaalsContact O-CB 3.26Å; N75-K78 WeakPolarHBondContact O-CB 3.3Å; N75-K78 PolarHBondContact O-N 3.14Å; N75-E79 WeakPolarHBondContact CA-OE1 3.28Å; N75-E79 HydrophobicContact CB-CG 4.44Å; N75-E79 WeakPolarHBondContact CB-OE1 3.17Å; N75-E79 PolarHBondContact O-N 3.38Å
76F89.3Confident86.3Confident74 Ų7492.9 Ų92.933%0.32546%0.461SS..Hα-helixtrans-34.9-44.7173.1-175.1-113.5000115.3I70 L71 H74 K78 E79 L80I70-F76 HydrophobicContact CG2-CB 4.5Å; I70-F76 HydrophobicContact CG2-CD1 3.83Å; I70-F76 HydrophobicContact CG2-CE1 4.18Å; I70-F76 HydrophobicContact CG2-CG 4.14Å; L71-F76 HydrophobicContact CD2-CD1 4.09Å; L71-F76 HydrophobicContact CD2-CE1 4.21Å; H74-F76 HydrophobicContact CB-CB 3.84Å; H74-F76 PolarHBondContact O-N 2.9Å; F76-K78 PolarHBondContact O-N 2.79Å; F76-E79 PolarHBondContact N-OE1 3.39Å; F76-E79 PolarHBondContact O-N 2.85Å; F76-L80 HydrophobicContact CD1-CD1 3.96Å; F76-L80 HydrophobicContact CD2-CG 4.35Å; F76-L80 HydrophobicContact CE1-CD1 3.53Å; F76-L80 HydrophobicContact CE1-CG 4.3Å; F76-L80 HydrophobicContact CE2-CD1 4.19Å; F76-L80 HydrophobicContact CE2-CD2 4.24Å; F76-L80 HydrophobicContact CE2-CG 4.1Å; F76-L80 HydrophobicContact CG-CD1 4.46Å; F76-L80 HydrophobicContact CZ-CD1 3.66Å; F76-L80 HydrophobicContact CZ-CD2 4.27Å; F76-L80 HydrophobicContact CZ-CG 4.08Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.34Å; F76-L80 VanDerWaalsContact O-CG 3.26Å; F76-L80 WeakPolarHBondContact O-CG 3.02Å; F76-L80 PolarHBondContact O-N 2.9Å
77L85.8Confident85.8Confident101 Ų10190 Ų9053%0.52945%0.454SS..Hα-helixtrans-64.3-37.2175.9-82177.6000113.5L71 N75 Q81L71-L77 HydrophobicContact CD2-CD1 4.46Å; L71-L77 HydrophobicContact CD2-CD2 3.73Å; L71-L77 HydrophobicContact CD2-CG 3.95Å; L71-L77 WeakPolarHBondContact O-CD1 3.34Å; N75-L77 VanDerWaalsContact C-N 3.25Å; N75-L77 PolarHBondContact O-N 3.18Å; L77-Q81 WeakPolarHBondContact O-CB 3.36Å; L77-Q81 PolarHBondContact O-N 3.3Å
78K86.9Confident85.2Confident129 Ų12993.9 Ų93.956%0.56148%0.475SS*.Hα-helixtrans-74.4-40174.2-176.3-161.8169.3-140.90111N75 F76 Q81 E82N75-K78 CarbonylContact O-C 3.52Å; N75-K78 WeakPolarHBondContact O-CA 3.41Å; N75-K78 VanDerWaalsContact O-CB 3.26Å; N75-K78 WeakPolarHBondContact O-CB 3.3Å; N75-K78 PolarHBondContact O-N 3.14Å; F76-K78 PolarHBondContact O-N 2.79Å; K78-Q81 WeakPolarHBondContact O-CB 2.99Å; K78-Q81 PolarHBondContact O-N 3.46Å; K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 PolarHBondContact O-N 2.83Å
79E89.6Confident84.3Confident94 Ų9499 Ų9944%0.43950%0.498SS..Hα-helixtrans-64-44.4177-66.3159.8-135.100111.3N75 F76 Q81 E82 I83N75-E79 WeakPolarHBondContact CA-OE1 3.28Å; N75-E79 HydrophobicContact CB-CG 4.44Å; N75-E79 WeakPolarHBondContact CB-OE1 3.17Å; N75-E79 PolarHBondContact O-N 3.38Å; F76-E79 PolarHBondContact N-OE1 3.39Å; F76-E79 PolarHBondContact O-N 2.85Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.43Å; E79-E82 PolarHBondContact O-N 3.27Å; E79-I83 VanDerWaalsContact O-CG1 3.28Å; E79-I83 WeakPolarHBondContact O-CG1 3.2Å; E79-I83 PolarHBondContact O-N 2.92Å
80L86.9Confident83.4Confident80 Ų80101.8 Ų101.842%0.41951%0.507SS..Hα-helixtrans-59.3-39.7170.9-75.7177.8000112F76 A84F76-L80 HydrophobicContact CD1-CD1 3.96Å; F76-L80 HydrophobicContact CD2-CG 4.35Å; F76-L80 HydrophobicContact CE1-CD1 3.53Å; F76-L80 HydrophobicContact CE1-CG 4.3Å; F76-L80 HydrophobicContact CE2-CD1 4.19Å; F76-L80 HydrophobicContact CE2-CD2 4.24Å; F76-L80 HydrophobicContact CE2-CG 4.1Å; F76-L80 HydrophobicContact CG-CD1 4.46Å; F76-L80 HydrophobicContact CZ-CD1 3.66Å; F76-L80 HydrophobicContact CZ-CD2 4.27Å; F76-L80 HydrophobicContact CZ-CG 4.08Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.34Å; F76-L80 VanDerWaalsContact O-CG 3.26Å; F76-L80 WeakPolarHBondContact O-CG 3.02Å; F76-L80 PolarHBondContact O-N 2.9Å; L80-A84 VanDerWaalsContact O-CB 3.26Å; L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.94Å
81Q86.1Confident82.3Confident144 Ų144105.2 Ų105.267%0.67352%0.519SS*.Hα-helixtrans-67.2-37.5176.1-172.3176.912.700112.1L77 K78 E79 A84 A85L77-Q81 WeakPolarHBondContact O-CB 3.36Å; L77-Q81 PolarHBondContact O-N 3.3Å; K78-Q81 WeakPolarHBondContact O-CB 2.99Å; K78-Q81 PolarHBondContact O-N 3.46Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.43Å; Q81-A84 PolarHBondContact O-N 2.86Å; Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.21Å
82E89.6Confident81Confident116 Ų116104.4 Ų104.454%0.54253%0.525SS..Hα-helixtrans-67.1-45.8176.5-171.2160.7-17800111.2K78 E79 A84 A85 Q86K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 PolarHBondContact O-N 2.83Å; E79-E82 PolarHBondContact O-N 3.27Å; E82-A84 PolarHBondContact O-N 3.26Å; E82-A85 PolarHBondContact O-N 2.94Å; E82-Q86 WeakPolarHBondContact O-CB 3.47Å; E82-Q86 PolarHBondContact O-N 2.88Å
83I88.4Confident80Confident113 Ų113104.3 Ų104.358%0.57952%0.524SS*.Hα-helixtrans-60.3-43.5172.6-66.9163.3000111.1E79 Q86 G87E79-I83 VanDerWaalsContact O-CG1 3.28Å; E79-I83 WeakPolarHBondContact O-CG1 3.2Å; E79-I83 PolarHBondContact O-N 2.92Å; I83-Q86 PolarHBondContact O-N 3.45Å; I83-G87 PolarHBondContact O-N 3.47Å
84A86Confident79Confident65 Ų65103 Ų10354%0.53752%0.522SS..Hα-helixtrans-64.2-41.1178.100000112.4L80 Q81 E82 G87 D88L80-A84 VanDerWaalsContact O-CB 3.26Å; L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.94Å; Q81-A84 PolarHBondContact O-N 2.86Å; E82-A84 PolarHBondContact O-N 3.26Å; A84-G87 PolarHBondContact O-N 3.37Å; A84-D88 PolarHBondContact O-N 2.92Å; A84-D88 VanDerWaalsContact O-N 3.14Å
85A85.9Confident78.2Confident47 Ų47103.2 Ų103.239%0.38852%0.523SS..Hα-helixtrans-67.4-42.7175.700000112.1Q81 E82 G87 D88 H89Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.21Å; E82-A85 PolarHBondContact O-N 2.94Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 3.25Å; A85-D88 PolarHBondContact O-N 2.84Å; A85-H89 PolarHBondContact O-CD2 3.49Å; A85-H89 PolarHBondContact O-N 3.32Å
86Q85.9Confident77.1Confident129 Ų129105.9 Ų105.960%0.60353%0.529SS*.Hα-helixtrans-61.2-43.4174.9-178.9172.8-16.500111.5E82 I83 D88 H89 E90E82-Q86 WeakPolarHBondContact O-CB 3.47Å; E82-Q86 PolarHBondContact O-N 2.88Å; I83-Q86 PolarHBondContact O-N 3.45Å; Q86-D88 VanDerWaalsContact C-N 3.31Å; Q86-D88 PolarHBondContact O-N 3.39Å; Q86-H89 PolarHBondContact O-N 3.47Å; Q86-E90 PolarHBondContact O-N 3.43Å
87G79.4Confident75.3Confident21 Ų21110.8 Ų110.822%0.21655%0.546CS..Hα-helixtrans-64.7-30.1177.200000114I83 A84 A85 K91I83-G87 PolarHBondContact O-N 3.47Å; A84-G87 PolarHBondContact O-N 3.37Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 3.25Å; G87-K91 WeakPolarHBondContact O-CB 3.41Å; G87-K91 VanDerWaalsContact O-CD 3.32Å; G87-K91 WeakPolarHBondContact O-CD 3.41Å; G87-K91 WeakPolarHBondContact O-CG 3.41Å; G87-K91 PolarHBondContact O-N 3.34Å; G87-K91 VanDerWaalsContact O-N 3.11Å
88D75.3Confident73.8Confident111 Ų111115.4 Ų115.459%0.59456%0.562SS**Hα-helixtrans-72.8-42.9172.2-166.857.7000111.6A84 A85 Q86 E90 K91 G92A84-D88 PolarHBondContact O-N 2.92Å; A84-D88 VanDerWaalsContact O-N 3.14Å; A85-D88 PolarHBondContact O-N 2.84Å; Q86-D88 VanDerWaalsContact C-N 3.31Å; Q86-D88 PolarHBondContact O-N 3.39Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 PolarHBondContact O-N 3.04Å; D88-K91 PolarHBondContact O-N 3.48Å; D88-G92 PolarHBondContact O-N 2.89Å
89H70.3Confident72Confident133 Ų133116 Ų11662%0.61657%0.567SS**Hα-helixtrans-60.7-36.6172.9-68.7-32.5000113A85 Q86 R93A85-H89 PolarHBondContact O-CD2 3.49Å; A85-H89 PolarHBondContact O-N 3.32Å; Q86-H89 PolarHBondContact O-N 3.47Å; H89-R93 VanDerWaalsContact O-CG 3.3Å; H89-R93 WeakPolarHBondContact O-CG 3.22Å; H89-R93 PolarHBondContact O-N 2.9Å
90E70.3Confident69.5Low118 Ų118119.5 Ų119.555%0.55158%0.581SS**Hα-helixtrans-69.4-46.6175.8-172.5169-171.300112.1Q86 D88 G92 R93 L94Q86-E90 PolarHBondContact O-N 3.43Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 PolarHBondContact O-N 3.04Å; E90-G92 VanDerWaalsContact C-N 3.35Å; E90-G92 PolarHBondContact O-N 2.84Å; E90-R93 PolarHBondContact O-N 3.29Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-L94 HydrophobicContact CG-CD1 4.21Å; E90-L94 WeakPolarHBondContact O-CG 3.26Å; E90-L94 PolarHBondContact O-N 3.14Å
91K65.1Low67.6Low142 Ų142121.3 Ų121.362%0.61760%0.598SS**Hα-helixtrans-57.6-46173.8-72.8164.4-171170.10111.7G87 D88 R93 L94 Q95G87-K91 WeakPolarHBondContact O-CB 3.41Å; G87-K91 VanDerWaalsContact O-CD 3.32Å; G87-K91 WeakPolarHBondContact O-CD 3.41Å; G87-K91 WeakPolarHBondContact O-CG 3.41Å; G87-K91 PolarHBondContact O-N 3.34Å; G87-K91 VanDerWaalsContact O-N 3.11Å; D88-K91 PolarHBondContact O-N 3.48Å; K91-R93 VanDerWaalsContact C-N 3.32Å; K91-R93 PolarHBondContact O-N 3.46Å; K91-L94 PolarHBondContact O-N 3.05Å; K91-Q95 WeakPolarHBondContact O-CB 3.35Å; K91-Q95 PolarHBondContact O-N 3.28Å
92G60.8Low65.4Low40 Ų40118.6 Ų118.641%0.41259%0.591SS.*Hα-helixtrans-61.7-36.2175.900000113.3D88 E90 K96D88-G92 PolarHBondContact O-N 2.89Å; E90-G92 VanDerWaalsContact C-N 3.35Å; E90-G92 PolarHBondContact O-N 2.84Å; G92-K96 VanDerWaalsContact O-CB 3.31Å; G92-K96 WeakPolarHBondContact O-CB 3.26Å; G92-K96 PolarHBondContact O-N 3.46Å
93R62.1Low63.2Low165 Ų165119.7 Ų119.762%0.62361%0.608SS**Hα-helixtrans-67.9-47.3172.9-76177.470.3148.21.5111.9H89 E90 K91 Q95 K96 Y97H89-R93 VanDerWaalsContact O-CG 3.3Å; H89-R93 WeakPolarHBondContact O-CG 3.22Å; H89-R93 PolarHBondContact O-N 2.9Å; E90-R93 PolarHBondContact O-N 3.29Å; E90-R93 VanDerWaalsContact O-N 3.14Å; K91-R93 VanDerWaalsContact C-N 3.32Å; K91-R93 PolarHBondContact O-N 3.46Å; R93-Q95 VanDerWaalsContact C-N 3.32Å; R93-Q95 PolarHBondContact O-N 3.5Å; R93-K96 PolarHBondContact O-N 2.9Å; R93-K96 VanDerWaalsContact O-N 3.15Å; R93-Y97 WeakPolarHBondContact O-CD2 3.44Å; R93-Y97 PolarHBondContact O-N 3.42Å; R93-Y97 VanDerWaalsContact O-N 3.11Å
94L59Low61Low111 Ų111117.9 Ų117.958%0.58161%0.61SS**Hα-helixtrans-58.6-43.2177.2-74.1165.2000111.6E90 K91 Y97 K98E90-L94 HydrophobicContact CG-CD1 4.21Å; E90-L94 WeakPolarHBondContact O-CG 3.26Å; E90-L94 PolarHBondContact O-N 3.14Å; K91-L94 PolarHBondContact O-N 3.05Å; L94-Y97 PolarHBondContact O-N 3.4Å; L94-K98 PolarHBondContact O-N 3.48Å
95Q57.6Low59Low123 Ų123118.8 Ų118.858%0.57561%0.609SS**Hα-helixtrans-62.9-42174.9-170.4167.2-2.100111.8K91 R93 Y97 K98 E99K91-Q95 WeakPolarHBondContact O-CB 3.35Å; K91-Q95 PolarHBondContact O-N 3.28Å; R93-Q95 VanDerWaalsContact C-N 3.32Å; R93-Q95 PolarHBondContact O-N 3.5Å; Q95-Y97 VanDerWaalsContact C-N 3.28Å; Q95-Y97 PolarHBondContact O-N 3.46Å; Q95-K98 WeakPolarHBondContact O-CA 3.41Å; Q95-K98 WeakPolarHBondContact O-CB 3.47Å; Q95-K98 PolarHBondContact O-N 3.25Å; Q95-E99 WeakPolarHBondContact O-CB 3.3Å; Q95-E99 PolarHBondContact O-N 2.89Å
96K58.2Low57Low167 Ų167125.6 Ų125.673%0.72663%0.633SS**Hα-helixtrans-65.5-23.5177.4-166.8170.9-174.4173.70114.3G92 R93G92-K96 VanDerWaalsContact O-CB 3.31Å; G92-K96 WeakPolarHBondContact O-CB 3.26Å; G92-K96 PolarHBondContact O-N 3.46Å; R93-K96 PolarHBondContact O-N 2.9Å; R93-K96 VanDerWaalsContact O-N 3.15Å
97Y53.2Low55.1Low177 Ų177125.6 Ų125.669%0.69464%0.641SS**Hα-helixtrans-76.8-29.2168.9-76.1-72.5000112.9R93 L94 Q95R93-Y97 WeakPolarHBondContact O-CD2 3.44Å; R93-Y97 PolarHBondContact O-N 3.42Å; R93-Y97 VanDerWaalsContact O-N 3.11Å; L94-Y97 PolarHBondContact O-N 3.4Å; Q95-Y97 VanDerWaalsContact C-N 3.28Å; Q95-Y97 PolarHBondContact O-N 3.46Å
98K52.6Low53.2Low198 Ų198130.9 Ų130.986%0.86166%0.664SS**Hα-helixtrans-78-22.5175.6-160.5170.4-172.6178.10112.8L94 Q95L94-K98 PolarHBondContact O-N 3.48Å; Q95-K98 WeakPolarHBondContact O-CA 3.41Å; Q95-K98 WeakPolarHBondContact O-CB 3.47Å; Q95-K98 PolarHBondContact O-N 3.25Å
99E50.2Low51.6Low143 Ų143133 Ų13367%0.66867%0.67SS**  trans-108.239.9-173-157.3167.3-117.800113.4Q95 P101Q95-E99 WeakPolarHBondContact O-CB 3.3Å; Q95-E99 PolarHBondContact O-N 2.89Å; E99-P101 WeakPolarHBondContact O-CD 3.47Å
100K37.2Very low50.4Low166 Ų166132.9 Ų132.972%0.72268%0.679SS**  trans-97.995.4169.4-170.1-175.8179.6-173.40110.4T102K100-T102 PolarHBondContact O-N 3.37Å; K100-T102 PolarHBondContact O-OG1 3.06Å
101P45.9Very low49.3Very low119 Ų119132.1 Ų132.177%0.77368%0.683SS**  trans-66.2107.7179.727.5-34.7000110E99E99-P101 WeakPolarHBondContact O-CD 3.47Å
102T39.6Very low48.5Very low86 Ų86129 Ų12953%0.52868%0.683SS.*  trans-98.6116.7176.4-54.90000107.5K100 A104K100-T102 PolarHBondContact O-N 3.37Å; K100-T102 PolarHBondContact O-OG1 3.06Å; T102-A104 PolarHBondContact O-N 3.18Å
103P43.1Very low48Very low139 Ų139133.8 Ų133.890%0.90370%0.699SS**THydrogen-bonded Turntrans-79.853.7-167.933.5-37.6000113
104A42.2Very low47.4Very low75 Ų75128.3 Ų128.362%0.6269%0.694SS**THydrogen-bonded Turntrans-131.5-17.2-178.500000113.6T102 Q106T102-A104 PolarHBondContact O-N 3.18Å; A104-Q106 PolarHBondContact O-N 2.63Å
105T44.8Very low47.2Very low84 Ų84125.9 Ų125.952%0.51569%0.69SS.*THydrogen-bonded Turntrans-93.743.9-169.3-35.30000114
106Q44.2Very low47.1Very low190 Ų190125.3 Ų125.389%0.88869%0.691SS**THydrogen-bonded Turntrans-102.7-2.5169.6-69.6-167.127.700113.8A104A104-Q106 PolarHBondContact O-N 2.63Å
107V45.5Very low47.1Very low129 Ų129125.8 Ų125.878%0.78269%0.688SS**SBendtrans-107.9-2.2-174.6-170.30000113
108L38.9Very low47.1Very low133 Ų133121 Ų12170%0.69668%0.681SS**SBendtrans-129.222.2-170.8-84.6168.4000115
109Q42.9Very low47.2Very low155 Ų155117.8 Ų117.872%0.72467%0.671SS**SBendtrans-104.222-178.7-67.1-167.2-17.400114.7
110T45.7Very low47.6Very low130 Ų130117 Ų11780%0.79867%0.671SS**SBendtrans-124.13.3-175.451.20000115.3
111T45.5Very low48.6Very low103 Ų103117.1 Ų117.163%0.63267%0.673SS**SBendtrans-127-13.2-173.252.90000115.8
112A49Very low49.1Very low76 Ų76115.5 Ų115.563%0.62867%0.67SS**G310 helixtrans-75-31.4-176.500000114G114A112-G114 PolarHBondContact O-N 3.39Å; A112-G114 VanDerWaalsContact O-N 3.14Å
113D50.2Low49.8Very low140 Ų140118.6 Ų118.675%0.74968%0.683SS**G310 helixtrans-74.2-1.3-174.2-160.334000114.2
114G49.3Very low50.2Low50 Ų50114.7 Ų114.752%0.51567%0.668SS.*G310 helixtrans-95-25178.500000115.1A112A112-G114 PolarHBondContact O-N 3.39Å; A112-G114 VanDerWaalsContact O-N 3.14Å
115A56.2Low50.7Low61 Ų61114.4 Ų114.450%0.50467%0.672SS.*Hα-helixtrans-76.2-54.2-171.500000112.3R117 S118A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 PolarHBondContact O-N 3.47Å; A115-S118 WeakPolarHBondContact O-CB 3.44Å; A115-S118 PolarHBondContact O-N 2.78Å
116D54.6Low51Low111 Ų111117.2 Ų117.259%0.59469%0.692SS**Hα-helixtrans-67.5-30.6-175.5-61.9-24.4000112.2S118 M119 L120D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 3.41Å; D116-M119 PolarHBondContact O-N 2.04Å; D116-L120 PolarHBondContact O-N 3.21Å; D116-L120 VanDerWaalsContact O-N 3.11Å
117R57.8Low51.2Low176 Ų176111 Ų11166%0.66468%0.679SS**Hα-helixtrans-62.9-36.8176.2-162.2171.1-171.4140.30.9112.4A115 L120 E121A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 PolarHBondContact O-N 3.47Å; R117-L120 PolarHBondContact O-N 2.75Å; R117-E121 PolarHBondContact O-N 3.49Å; R117-E121 VanDerWaalsContact O-N 3.15Å
118S53.5Low51.2Low77 Ų77112.4 Ų112.454%0.53868%0.677SS.*Hα-helixtrans-66.5-40.7176.5-173.10000112.2A115 D116 E121 A122A115-S118 WeakPolarHBondContact O-CB 3.44Å; A115-S118 PolarHBondContact O-N 2.78Å; D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 3.41Å; S118-E121 PolarHBondContact O-N 3.07Å; S118-A122 PolarHBondContact O-N 3.44Å
119M55Low51.5Low130 Ų130115.8 Ų115.864%0.6468%0.681SS**Hα-helixtrans-71.5-32.5177.5-63-150.4-57.400113.1D116 A122D116-M119 PolarHBondContact O-N 2.04Å; M119-A122 PolarHBondContact O-N 3.28Å
120L57.7Low51.4Low128 Ų128113.1 Ų113.167%0.6768%0.679SS**Hα-helixtrans-67.6-35.2172.9-85.3162.4000112.7D116 R117 A122 L123D116-L120 PolarHBondContact O-N 3.21Å; D116-L120 VanDerWaalsContact O-N 3.11Å; R117-L120 PolarHBondContact O-N 2.75Å; L120-A122 VanDerWaalsContact C-N 3.35Å; L120-L123 PolarHBondContact O-N 2.89Å
121E58.5Low51.3Low167 Ų167115.2 Ų115.278%0.7868%0.684SS**Hα-helixtrans-70.5-31.7177.9-162.6154.8-135.800112R117 S118 L123R117-E121 PolarHBondContact O-N 3.49Å; R117-E121 VanDerWaalsContact O-N 3.15Å; S118-E121 PolarHBondContact O-N 3.07Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.22Å
122A57.3Low51.3Low86 Ų86117.7 Ų117.771%0.71169%0.692SS**THydrogen-bonded Turntrans-71.2-16.5175.600000115S118 M119 L120S118-A122 PolarHBondContact O-N 3.44Å; M119-A122 PolarHBondContact O-N 3.28Å; L120-A122 VanDerWaalsContact C-N 3.35Å
123L54.4Low51Low150 Ų150119.1 Ų119.179%0.78570%0.698SS**THydrogen-bonded Turntrans-101.24.5-176.7-68.6177.2000114.6L120 E121L120-L123 PolarHBondContact O-N 2.89Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.22Å
124G51.8Low50.4Low57 Ų57121.6 Ų121.659%0.58871%0.705SS**  trans81.7105.7171.100000114.2
125G51.1Low49.8Very low69 Ų69129.5 Ų129.571%0.71173%0.725SS**  trans-60.4139.4172.300000112G127G125-G127 PolarHBondContact O-N 2.94Å; G125-G127 VanDerWaalsContact O-N 3.12Å
126P52.2Low48.9Very low143 Ų143135 Ų13593%0.92974%0.738SS**  trans-71.5108.4-170.227.5-34.9000112.2
127G48.4Very low48.3Very low61 Ų61140 Ų14063%0.62975%0.748SS**  trans-162.495.8-17700000116.2G125G125-G127 PolarHBondContact O-N 2.94Å; G125-G127 VanDerWaalsContact O-N 3.12Å
128E45.3Very low46.9Very low157 Ų157137.4 Ų137.473%0.73476%0.757SS**  trans75.3158.1149.1-49.6-176.8156.900121.2
129R45Very low45.9Very low205 Ų205137.4 Ų137.477%0.77477%0.769SS**  trans7672.2162-52.9119.8-165.9-102.96.2119.7
130S41.8Very low44.8Very low98 Ų98139.7 Ų139.769%0.68578%0.778SS**  26.5110.2129-171.10000119.1L132S130-L132 PolarHBondContact O-N 3.39Å; S130-L132 VanDerWaalsContact O-N 3.13Å; S130-L132 PolarHBondContact OG-N 2.88Å
131I43.1Very low43.6Very low175 Ų175140.1 Ų140.190%0.89778%0.777SS**SBendtrans-85.940.4169.2-37.4-179.9000111.4
132L44.7Very low42.5Very low154 Ų154141 Ų14181%0.80677%0.773SS**  trans-138.374.7177-79.2179.4000112.1S130S130-L132 PolarHBondContact O-N 3.39Å; S130-L132 VanDerWaalsContact O-N 3.13Å; S130-L132 PolarHBondContact OG-N 2.88Å
133S42.4Very low41.3Very low107 Ų107142.8 Ų142.875%0.74877%0.771SS**  trans-173.9164.8141.850.20000112.4
134Q38.3Very low40.1Very low192 Ų192138.6 Ų138.690%0.89776%0.764SS**  trans76.877.7170.9-51.5-164.714.100119
135K36.9Very low39Very low216 Ų216141.4 Ų141.494%0.93977%0.769SS**  trans-133.895.1138.7-171.8168.8-176.5174.40110.4
136K38Very low38.1Very low177 Ų177146.8 Ų146.877%0.7778%0.776SS**  trans-152.4103.1173.7-164.2166.2-174.6172.50114.3
137R40.3Very low37.1Very low216 Ų216149.1 Ų149.182%0.81578%0.775SS**  trans79.8157.8158.6-65.6177.8172.2-178.8-5.5119.2
138S30.2Very low36.2Very low120 Ų120155.8 Ų155.884%0.83979%0.789SS**  trans51.3114.3-17851.40000116.1
139G31Very low36.1Very low78 Ų78153.7 Ų153.780%0.80479%0.792SS**  cis98.796.4-4.700000114.5
140E32.9Very low36.6Very low178 Ų178148.7 Ų148.783%0.83279%0.786SS**  trans-153.7160.1154.5-163.860.9103.300108.6
141Q32.9Very low36.3Very low137 Ų137152.5 Ų152.564%0.6479%0.793SS**  trans-70.1165.2-174.4-61.4-179.24.500113.9
142R34.8Very low35.7Very low184 Ų184149.2 Ų149.269%0.69478%0.777SS**  cis-162.3-172-5.8-118.5178.5-53.3105.72.3106.9
143D31.7Very low35.2Very low125 Ų125147.7 Ų147.767%0.66877%0.774SS**  cis-158.6160.810.6-132.9-28.4000111.8
144G28.8Very low34.9Very low62 Ų62149.5 Ų149.564%0.63977%0.769SS**  trans70.1148.6170.500000116.6
145T29Very low34.8Very low115 Ų115148.8 Ų148.871%0.70676%0.758SS**  cis-157.5135.82.2-59.50000108.8
146E31.5Very low34.6Very low182 Ų182143.9 Ų143.985%0.8574%0.742SS**  trans55137.9165.4-68.9151.7-156.300117.4
147E32.3Very low34.7Very low193 Ų193141 Ų14190%0.90273%0.731SS**  cis-133.7163.725.5-58.8-177.4139.600112.9
148E30.2Very low34.6Very low200 Ų200137.4 Ų137.494%0.93573%0.728SS**  trans-110.1133.4171-72-171.2128.400113.1
149S42.6Very low35Very low113 Ų113140.1 Ų140.179%0.7973%0.727SS**  trans-118175.2155.4-143.20000105.9
150P55.4Low35Very low100 Ų100140.5 Ų140.565%0.64972%0.723SS**  cis-147.1-150.316.432.4-4.3000114.9
151E34.9Very low35Very low178 Ų178139.2 Ų139.283%0.83272%0.717SS**  trans81.1153.6162.7-44.8-166.7-178.700116.7
152D31.4Very low35Very low106 Ų106142.3 Ų142.357%0.56772%0.723SS**  cis-149-167.114.4-171.210.9000111.1K154D152-K154 IonicContact OD1-NZ 2.67Å; D152-K154 PolarHBondContact OD1-NZ 2.86Å; D152-K154 IonicContact OD2-NZ 2.65Å; D152-K154 PolarHBondContact OD2-NZ 2.98Å
153V33.4Very low34.8Very low123 Ų123140.1 Ų140.175%0.74573%0.725SS**  trans93.8105.4172.8-173.60000113.7
154K37.1Very low35.2Very low145 Ų145142.1 Ų142.163%0.6373%0.73SS**  cis80.110345.2-61.4-177.3170.672.70113.2D152D152-K154 IonicContact OD1-NZ 2.67Å; D152-K154 PolarHBondContact OD1-NZ 2.86Å; D152-K154 IonicContact OD2-NZ 2.65Å; D152-K154 PolarHBondContact OD2-NZ 2.98Å
155R36.4Very low35.1Very low177 Ų177145.8 Ų145.867%0.66874%0.735SS**  104.5158.295.7-135.6-178.7170.1-1291.3109.4E157R155-E157 WeakPolarHBondContact CD-OE1 3.18Å; R155-E157 WeakPolarHBondContact CG-OE1 3.45Å; R155-E157 IonicContact CZ-OE1 3.7Å; R155-E157 IonicContact CZ-OE2 3.26Å; R155-E157 VanDerWaalsContact CZ-OE2 3.26Å; R155-E157 VanDerWaalsContact NE-CD 3.29Å; R155-E157 IonicContact NE-OE1 3.95Å; R155-E157 PolarHBondContact NE-OE1 3.22Å; R155-E157 IonicContact NE-OE2 2.84Å; R155-E157 PolarHBondContact NE-OE2 2.7Å; R155-E157 IonicContact NH2-OE1 3.83Å; R155-E157 IonicContact NH2-OE2 2.66Å; R155-E157 PolarHBondContact NH2-OE2 2.67Å
156D32.3Very low35.6Very low113 Ų113150.4 Ų150.460%0.60474%0.74SS**  cis-134.8160.512.7-64-98.1000109.2
157E40.3Very low35.5Very low115 Ų115147.6 Ų147.654%0.53774%0.735SS.*  cis70.4125.340.2-61.8166-117.100112.4R155R155-E157 WeakPolarHBondContact CD-OE1 3.18Å; R155-E157 WeakPolarHBondContact CG-OE1 3.45Å; R155-E157 IonicContact CZ-OE1 3.7Å; R155-E157 IonicContact CZ-OE2 3.26Å; R155-E157 VanDerWaalsContact CZ-OE2 3.26Å; R155-E157 VanDerWaalsContact NE-CD 3.29Å; R155-E157 IonicContact NE-OE1 3.95Å; R155-E157 PolarHBondContact NE-OE1 3.22Å; R155-E157 IonicContact NE-OE2 2.84Å; R155-E157 PolarHBondContact NE-OE2 2.7Å; R155-E157 IonicContact NH2-OE1 3.83Å; R155-E157 IonicContact NH2-OE2 2.66Å; R155-E157 PolarHBondContact NH2-OE2 2.67Å
158D36.5Very low35.6Very low141 Ų141143.8 Ų143.875%0.75473%0.73SS**  cis-162.6173.3-3.7-77-34.1000106.8
159E39.2Very low35.6Very low177 Ų177139.9 Ų139.983%0.82773%0.725SS**  cis-169.2-173.6-7.5-115.8-77.9-134.900109.4
160A30.8Very low35.3Very low87 Ų87143.1 Ų143.172%0.71973%0.728SS**  trans83.2160.4151.800000121.3
161E32.8Very low34.2Very low150 Ų150147.6 Ų147.670%0.70174%0.74SS**  cis-166.2160.1-39.6-157.1-170.1-93.800108.1
162R32.7Very low34Very low203 Ų203145.5 Ų145.577%0.76673%0.734SS**  trans68.5165.1163-83171.6-163.9-91-11.3119
163D30.6Very low34Very low137 Ų137144.3 Ų144.373%0.73373%0.734SS**  cis-126156.29.9-89.4-55.6000114.3
164E40.8Very low34.1Very low167 Ų167145.3 Ų145.378%0.7873%0.731SS**  trans-95.8138.9146.1-73.8-165.7157.600108.1
165D27.8Very low33.8Very low139 Ų139147 Ų14774%0.74374%0.741SS**  trans-141.1149.5157.4-165.316.1000112.2
166R39.3Very low33.6Very low212 Ų212146.2 Ų146.280%0.875%0.75SS**  trans-125.899.8175.3-75.8-177173.585.7-3.6109.3
167T28.6Very low33.6Very low123 Ų123146.3 Ų146.376%0.75575%0.751SS**  trans-107.5101.6166.854.50000111.3
168S35.4Very low33.4Very low113 Ų113150.1 Ų150.179%0.7977%0.768SS**  trans-75.7136.8160.451.90000110.1
169S29.9Very low33.4Very low119 Ų119153.6 Ų153.683%0.83277%0.771SS**  trans-146.1124.7155.6-62.40000109.2
170E35.6Very low32.9Very low181 Ų181148.7 Ų148.785%0.84677%0.768SS**  trans-85.7-162.7164.5-65.1174.982.600108.8
171E32.5Very low33.2Very low193 Ų193150.4 Ų150.490%0.90277%0.765SS**  trans71.5135.6172.7-51.4-174.916500115.5
172N31Very low33.5Very low135 Ų135153.3 Ų153.372%0.72277%0.769SS**  cis-149.1-161.4-21.6-157.724.9000105.3E174N172-E174 PolarHBondContact ND2-OE1 3.2Å
173S31.7Very low33.9Very low80 Ų80147.9 Ų147.956%0.55976%0.763SS**  cis-161.8131.47.749.70000110.4
174E34.6Very low33.9Very low145 Ų145147.5 Ų147.568%0.67876%0.76SS**  trans57.8170.7143.2-68.2132-127.400118.7N172N172-E174 PolarHBondContact ND2-OE1 3.2Å
175E31.9Very low33.7Very low180 Ų180147 Ų14784%0.84176%0.755SS**  cis-155.2144.6-38.8-108.4178.6179.200106.4
176D31.3Very low33.9Very low161 Ų161148.7 Ų148.786%0.86175%0.752SS**  trans-162.3136.8131.4-140.7-25.8000110.9
177D33Very low33.6Very low115 Ų115145.7 Ų145.762%0.61575%0.747SS**  trans-143.795.2-179.4172.224.8000108.8R179D177-R179 IonicContact OD1-NE 2.67Å; D177-R179 IonicContact OD2-NE 3.63Å; D177-R179 IonicContact OD2-NH2 2.7Å
178E34.9Very low33.9Very low194 Ų194147.2 Ų147.291%0.90775%0.75SS**  trans-124.2147.9170-130.2-167.8-178.700114.2
179R36.7Very low35Very low215 Ų215146.3 Ų146.381%0.81174%0.742SS**  trans-124.3155.2-155.4-57.7175.8177.8-161.7-0.6112.8D177D177-R179 IonicContact OD1-NE 2.67Å; D177-R179 IonicContact OD2-NE 3.63Å; D177-R179 IonicContact OD2-NH2 2.7Å
180G29.1Very low35.1Very low74 Ų74149.6 Ų149.676%0.76374%0.741SS**  trans178.581.5167.500000111.3
181D36.4Very low35Very low122 Ų122149.5 Ų149.565%0.65274%0.741SS**  89.5141.961.8-170.430.2000113.4
182R39.2Very low35.1Very low211 Ų211149.2 Ų149.280%0.79674%0.737SS**  trans66.7152.7176-70.9155.1-137.7-116.2-15118.3
183S40.8Very low35.1Very low90 Ų90149.4 Ų149.463%0.62974%0.743SS**  cis-177.2150.6-28.159.70000105.7
184N32.2Very low35Very low128 Ų128150.5 Ų150.568%0.68476%0.757SS**  cis-165153.945-104.6-39.9000107.5
185K35.2Very low34.7Very low156 Ų156147.2 Ų147.268%0.67876%0.762SS**  70125.565.9-142.8170.8-179.9-179.60110.8
186R33.5Very low34.6Very low175 Ų175143.2 Ų143.266%0.6676%0.759SS**  cis-169.8152.321.9-138.2177-171.9-163.3-24117.5
187E31.8Very low34.6Very low149 Ų149144.5 Ų144.570%0.69676%0.76SS**  trans53.4143.5137.9-79.2151.7-145.300126.6
188D35.8Very low34.5Very low155 Ų155144 Ų14483%0.82977%0.766SS**  trans-80.9-166.4171.7-92.8-70.8000114.6
189P57.4Low34.5Very low95 Ų95141.3 Ų141.362%0.61775%0.753SS**  cis-141.8-168-47.641.6-24000115.3
190K32.9Very low34.3Very low187 Ų187138.3 Ų138.381%0.81375%0.748SS**  trans70.1124.4153.1-70.1172.3179.1169.20121.6
191Q33.2Very low34.4Very low179 Ų179142.5 Ų142.584%0.83674%0.741SS**  168.8125.5101.5-85.8-156.612.500116.5
192K34.5Very low34.2Very low188 Ų188141.2 Ų141.282%0.81774%0.742SS**  trans29.2154.6142.1-67.4-169.2172.2-172.80126.1
193T31.4Very low33.9Very low139 Ų139136.4 Ų136.485%0.85373%0.732SS**  trans75.4138.7164.767.70000116.3
194A30Very low33.6Very low103 Ų103139.7 Ų139.785%0.85174%0.735SS**  cis-161.8168.7-1300000108.1
195G27.8Very low33.7Very low76 Ų76144.6 Ų144.678%0.78474%0.744SS**  cis144.5136.5-2.300000111
196A29.7Very low33.5Very low96 Ų96141.8 Ų141.879%0.79374%0.744SS**  trans-154.9129.4178.600000113
197E31.9Very low33.4Very low188 Ų188137.8 Ų137.888%0.87975%0.748SS**  trans-54.3157.4165.848.9-120.559.700114
198S30Very low33.5Very low104 Ų104137.6 Ų137.673%0.72775%0.751SS**  cis-160.3156.646.3170.20000115.2
199E34Very low33.3Very low138 Ų138138.9 Ų138.965%0.64575%0.749SS**  trans-12145.5143.8-49.2-73.3138.800116.2R201E199-R201 IonicContact OE2-CZ 2.69Å; E199-R201 IonicContact OE2-NE 3.55Å; E199-R201 PolarHBondContact OE2-NE 3.41Å; E199-R201 IonicContact OE2-NH2 3.82Å; E199-R201 PolarHBondContact OE2-NH2 2.91Å
200E32.8Very low32Very low151 Ų151139.6 Ų139.671%0.70676%0.757SS**  cis-153.7170.727.7-85.9-148.134.400112.9
201R31.7Very low31.8Very low162 Ų162142.7 Ų142.761%0.61176%0.763SS**  cis-163.2-72.2-34.4-164.6175.7-68.9129-0.2113.4E199E199-R201 IonicContact OE2-CZ 2.69Å; E199-R201 IonicContact OE2-NE 3.55Å; E199-R201 PolarHBondContact OE2-NE 3.41Å; E199-R201 IonicContact OE2-NH2 3.82Å; E199-R201 PolarHBondContact OE2-NH2 2.91Å
202S32.6Very low31.8Very low96 Ų96143.4 Ų143.467%0.67176%0.764SS**  trans-169.5174.1-165.761.90000112.8
203D31.9Very low31.6Very low110 Ų110142.6 Ų142.659%0.58876%0.763SS**  cis-165.9166.311.6-143.3-23.9000114.3
204K36.1Very low31.6Very low159 Ų159143 Ų14369%0.69176%0.759SS**  trans37.5126.9152.7-77.7144.9-155.8147.20122.8
205R32.5Very low31.5Very low230 Ų230142 Ų14287%0.86876%0.759SS**  70.7125.792-148.9-165.4-177.6174.91.4113
206S32.3Very low31.8Very low98 Ų98147.1 Ų147.169%0.68576%0.76SS**  cis-165.2143.647.4-38.10000110.1
207A31.9Very low31.8Very low90 Ų90149.7 Ų149.774%0.74476%0.755SS**  75.111492.900000119.1
208L34Very low31.9Very low145 Ų145149 Ų14976%0.75975%0.752SS**  trans87.5116143.3-59.4175.5000124.2
209F30.1Very low32.3Very low182 Ų182149.6 Ų149.680%0.79875%0.752SS**  trans82.4119.1139.4-68.4-50.4000125.2
210S31.1Very low32.6Very low110 Ų110151.9 Ų151.977%0.76976%0.763SS**  trans73.5117.5132.8-62.80000122.5
211R28.9Very low32.9Very low253 Ų253153.6 Ų153.696%0.95577%0.771SS**  174.4157.498.7-165.6163.6-175.8162.5-0.9112.1
212K31.9Very low33.2Very low194 Ų194154 Ų15484%0.84378%0.779SS**  trans-73.2145.4179.7-63.6-178.4174.1-1730114.1
213H31.1Very low33.4Very low171 Ų171155.1 Ų155.179%0.79278%0.782SS**  -163.9168.1105.8-135.7-86.1000112.9
214D31.3Very low33.7Very low146 Ų146154 Ų15478%0.78179%0.788SS**  trans-52.5149.6-171.6-63.9-129.5000118.8
215G28.6Very low34.3Very low83 Ų83153 Ų15386%0.85680%0.795SS**  trans-166.3127.2165.600000110
216K33.7Very low34.9Very low183 Ų183150.3 Ų150.380%0.79679%0.79SS**  trans-89.5167.3-167.5-166.2-167.2167.7-141.50112.2
217E29.9Very low35.3Very low150 Ų150154.8 Ų154.870%0.70179%0.792SS**  trans86.8139.1168.1-57.5176.1-17800115.4
218E32.8Very low35.8Very low173 Ų173152.6 Ų152.681%0.80878%0.777SS**  cis-144.8-176-11.1-131.5-178.3-16900113
219T38.4Very low36.5Very low118 Ų118149.7 Ų149.772%0.72477%0.77SS**  trans-121.2103-166.6-61.50000113
220E40.6Very low37.5Very low186 Ų186149.1 Ų149.187%0.86976%0.762SS**  trans-129.658.5177.8-72.5-142.2110.900114.6
221E39.8Very low38.7Very low187 Ų187149.2 Ų149.287%0.87475%0.75SS**SBendtrans-14821.7162.4-135.5-170.9152.400116.3
222Q38.1Very low40Very low170 Ų170140.9 Ų140.979%0.79473%0.731SS**SBendtrans-124.124.1-178.1-65.4-161.64.900115.6
223T36.4Very low41.1Very low120 Ų120137 Ų13774%0.73672%0.718SS**SBendtrans-102.9-25.5-177550000114.8
224A38.8Very low42.6Very low85 Ų85135.4 Ų135.470%0.70271%0.706SS**SBendtrans-69.4-53-174.100000113.7K226 R227A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 3.2Å; A224-R227 PolarHBondContact O-N 2.8Å
225V48Very low43.8Very low140 Ų140135.2 Ų135.285%0.84870%0.7SS**THydrogen-bonded Turntrans-66.8-25.5-169.2-169.90000113R227V225-R227 VanDerWaalsContact C-N 3.35Å; V225-R227 PolarHBondContact O-N 2.89Å
226K45.6Very low45.3Very low173 Ų173137.3 Ų137.375%0.75269%0.691SS**THydrogen-bonded Turntrans-84.2-2.9-172.3-152.8163.2-173.1169.20114.6A224A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 3.2Å
227R41.2Very low46.9Very low192 Ų192132.2 Ų132.273%0.72568%0.675SS**THydrogen-bonded Turntrans-80.1-57.3-176.7-146.3166.9-172.4146-0.8112.2A224 V225 S229 R230A224-R227 PolarHBondContact O-N 2.8Å; V225-R227 VanDerWaalsContact C-N 3.35Å; V225-R227 PolarHBondContact O-N 2.89Å; R227-S229 VanDerWaalsContact C-N 3.35Å; R227-S229 PolarHBondContact O-N 2.92Å; R227-R230 WeakPolarHBondContact O-CB 3.32Å; R227-R230 PolarHBondContact O-N 3.03Å
228G41.8Very low48.5Very low43 Ų43131.5 Ų131.544%0.44367%0.671SS.*Hα-helixtrans-62.1-34-175.300000114.9R230 E231 S232G228-R230 PolarHBondContact O-N 2.86Å; G228-E231 PolarHBondContact O-N 3.31Å; G228-E231 VanDerWaalsContact O-N 3.14Å; G228-S232 PolarHBondContact O-N 2.97Å
229S49.1Very low49.5Very low85 Ų85131.2 Ų131.259%0.59466%0.663SS**Hα-helixtrans-59.2-31.7175.2179.70000113R227 S232R227-S229 VanDerWaalsContact C-N 3.35Å; R227-S229 PolarHBondContact O-N 2.92Å; S229-S232 PolarHBondContact O-OG 3.33Å
230R51.1Low50.7Low170 Ų170128 Ų12864%0.64265%0.648SS**Hα-helixtrans-81.2-16.5-178.7-159.3179.9-175.4-152.35.5112.9R227 G228 R234R227-R230 WeakPolarHBondContact O-CB 3.32Å; R227-R230 PolarHBondContact O-N 3.03Å; G228-R230 PolarHBondContact O-N 2.86Å; R230-R234 WeakPolarHBondContact O-CD 3.25Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å
231E54.7Low51.6Low112 Ų112127.8 Ų127.852%0.52364%0.639SS.*Hα-helixtrans-94.4-41.6-178.4-73.4163.2164.400111.1G228 L233 R234 H235G228-E231 PolarHBondContact O-N 3.31Å; G228-E231 VanDerWaalsContact O-N 3.14Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.23Å; E231-R234 WeakPolarHBondContact O-CB 3.28Å; E231-R234 PolarHBondContact O-N 3.45Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-H235 PolarHBondContact O-N 3.49Å; E231-H235 VanDerWaalsContact O-N 3.1Å
232S56.5Low52.4Low77 Ų77122 Ų12254%0.53862%0.619SS.*Hα-helixtrans-61.2-40.1172.665.10000112.4G228 S229 R234 H235 L236G228-S232 PolarHBondContact O-N 2.97Å; S229-S232 PolarHBondContact O-OG 3.33Å; S232-R234 VanDerWaalsContact C-N 3.26Å; S232-R234 PolarHBondContact O-N 2.94Å; S232-H235 PolarHBondContact O-N 3.15Å; S232-L236 PolarHBondContact O-N 2.91Å
233L55.9Low52.7Low112 Ų112122.5 Ų122.559%0.58661%0.614SS**Hα-helixtrans-60.1-34.4174.6-164.280.4000112.6E231 T237E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.23Å; L233-T237 WeakPolarHBondContact O-CB 3.46Å; L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 3.27Å; L233-T237 PolarHBondContact O-OG1 2.87Å
234R63Low53.6Low139 Ų139123.8 Ų123.853%0.52561%0.612SS.*Hα-helixtrans-70.8-45.4175.9-72.3174.2-174.5-80.37.5111.4R230 E231 S232 L236 T237 Q238R230-R234 WeakPolarHBondContact O-CD 3.25Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.28Å; E231-R234 PolarHBondContact O-N 3.45Å; E231-R234 VanDerWaalsContact O-N 3.1Å; S232-R234 VanDerWaalsContact C-N 3.26Å; S232-R234 PolarHBondContact O-N 2.94Å; R234-L236 VanDerWaalsContact C-N 3.31Å; R234-L236 PolarHBondContact O-N 3.47Å; R234-T237 PolarHBondContact O-N 3.09Å; R234-T237 PolarHBondContact O-OG1 3.34Å; R234-Q238 WeakPolarHBondContact O-CB 3.2Å; R234-Q238 PolarHBondContact O-N 3.26Å
235H56.1Low54.2Low141 Ų141127 Ų12765%0.65361%0.612SS**Hα-helixtrans-58.9-42.5174.4-86.4-91.2000112.2E231 S232 Q238 R239E231-H235 PolarHBondContact O-N 3.49Å; E231-H235 VanDerWaalsContact O-N 3.1Å; S232-H235 PolarHBondContact O-N 3.15Å; H235-Q238 PolarHBondContact O-N 2.94Å; H235-R239 WeakPolarHBondContact O-CB 3.46Å; H235-R239 PolarHBondContact O-N 3.12Å
236L60.2Low54.3Low128 Ų128129.1 Ų129.167%0.6761%0.61SS**Hα-helixtrans-65.7-46179.4-145.476.2000112.1S232 R234 Q238 R239 A240S232-L236 PolarHBondContact O-N 2.91Å; R234-L236 VanDerWaalsContact C-N 3.31Å; R234-L236 PolarHBondContact O-N 3.47Å; L236-Q238 PolarHBondContact O-N 3.43Å; L236-R239 PolarHBondContact O-N 2.88Å; L236-A240 PolarHBondContact O-N 3.18Å; L236-A240 VanDerWaalsContact O-N 3.07Å
237T65.9Low54.6Low75 Ų75129.9 Ų129.946%0.4661%0.613SS.*Hα-helixtrans-70.7-29.3178.7500000113.3L233 R234 R241L233-T237 WeakPolarHBondContact O-CB 3.46Å; L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 3.27Å; L233-T237 PolarHBondContact O-OG1 2.87Å; R234-T237 PolarHBondContact O-N 3.09Å; R234-T237 PolarHBondContact O-OG1 3.34Å; T237-R241 WeakPolarHBondContact O-CG 3.34Å; T237-R241 PolarHBondContact O-N 3.02Å
238Q63.4Low54.8Low135 Ų135130 Ų13063%0.63162%0.619SS**Hα-helixtrans-69.8-38.5173-167.7168.34.900111.6R234 H235 L236 R241 S242R234-Q238 WeakPolarHBondContact O-CB 3.2Å; R234-Q238 PolarHBondContact O-N 3.26Å; H235-Q238 PolarHBondContact O-N 2.94Å; L236-Q238 PolarHBondContact O-N 3.43Å; Q238-R241 PolarHBondContact O-N 3.22Å; Q238-S242 PolarHBondContact O-N 2.94Å
239R55.8Low54.7Low168 Ų168132.6 Ų132.663%0.63464%0.636SS**Hα-helixtrans-67.3-34.3173.7-168.4172-176.1155.60.5113H235 L236 S242H235-R239 WeakPolarHBondContact O-CB 3.46Å; H235-R239 PolarHBondContact O-N 3.12Å; L236-R239 PolarHBondContact O-N 2.88Å; R239-S242 PolarHBondContact O-OG 3.39Å; R239-S242 VanDerWaalsContact O-OG 3.09Å
240A63.5Low54.2Low49 Ų49131.6 Ų131.641%0.40564%0.639SS.*Hα-helixtrans-65.5-37.2173.800000112.8L236 Q244L236-A240 PolarHBondContact O-N 3.18Å; L236-A240 VanDerWaalsContact O-N 3.07Å; A240-Q244 PolarHBondContact O-N 3.26Å
241R59.5Low53.3Low183 Ų183126.9 Ų126.969%0.69164%0.644SS**Hα-helixtrans-70.2-35.8-178.9-74178.6177.5-151.2-2.7113.5T237 Q238 Q244 Q245T237-R241 WeakPolarHBondContact O-CG 3.34Å; T237-R241 PolarHBondContact O-N 3.02Å; Q238-R241 PolarHBondContact O-N 3.22Å; R241-Q244 PolarHBondContact O-N 3.34Å; R241-Q245 PolarHBondContact O-N 3.04Å
242S55.4Low52.4Low64 Ų64130.7 Ų130.745%0.44866%0.662SS.*Hα-helixtrans-69-34.2177.758.50000112.7Q238 R239 Q245 K246Q238-S242 PolarHBondContact O-N 2.94Å; R239-S242 PolarHBondContact O-OG 3.39Å; R239-S242 VanDerWaalsContact O-OG 3.09Å; S242-Q245 PolarHBondContact O-N 3.45Å; S242-K246 PolarHBondContact O-N 2.93Å
243W45.5Very low51.1Low181 Ų181136.3 Ų136.369%0.68668%0.679SS**Hα-helixtrans-65-37.1171.4-81.3-20.6000113.3K246 K247W243-K246 PolarHBondContact O-N 3.43Å; W243-K247 PolarHBondContact O-N 3.47Å
244Q54.2Low50Low147 Ų147137.8 Ų137.869%0.68768%0.683SS**Hα-helixtrans-68.1-36.8176.3-71.8-178.2-15.300112.7A240 R241 K247A240-Q244 PolarHBondContact O-N 3.26Å; R241-Q244 PolarHBondContact O-N 3.34Å; Q244-K247 PolarHBondContact O-N 2.9Å
245Q52Low48.7Very low152 Ų152136.7 Ų136.771%0.7169%0.694SS**Hα-helixtrans-65.7-39.5174.3-72.2-177.8-13.900112.3R241 S242 K247 K248R241-Q245 PolarHBondContact O-N 3.04Å; S242-Q245 PolarHBondContact O-N 3.45Å; Q245-K247 PolarHBondContact O-N 3.19Å; Q245-K247 VanDerWaalsContact O-N 3.16Å; Q245-K248 PolarHBondContact O-N 3Å
246K49.4Very low47.6Very low185 Ų185136.3 Ų136.380%0.80470%0.696SS**Hα-helixtrans-67.6-13.1178.6-157.9174.3-178.2-177.50113.9S242 W243S242-K246 PolarHBondContact O-N 2.93Å; W243-K246 PolarHBondContact O-N 3.43Å
247K51.6Low46.2Very low190 Ų190135.6 Ų135.683%0.82670%0.702SS**THydrogen-bonded Turntrans-95.62.2172-106.5-165.6176.3-167.80114.7W243 Q244 Q245W243-K247 PolarHBondContact O-N 3.47Å; Q244-K247 PolarHBondContact O-N 2.9Å; Q245-K247 PolarHBondContact O-N 3.19Å; Q245-K247 VanDerWaalsContact O-N 3.16Å
248K46.6Very low44.2Very low194 Ų194135.4 Ų135.484%0.84372%0.715SS**SBendtrans-117.231.8-178.9-140.1-176.3-175.2-169.70113.9Q245Q245-K248 PolarHBondContact O-N 3Å
249A38.9Very low42.5Very low97 Ų97134.6 Ų134.680%0.80272%0.724SS**SBendtrans-132.940.5174.900000110.7
250G39.4Very low41.3Very low64 Ų64136.4 Ų136.466%0.6673%0.731SS**  trans-166.6129178.900000109.8
251G31.4Very low39.6Very low72 Ų72140.9 Ų140.974%0.74274%0.744SS**  trans92133.6-155.900000110
252E35.5Very low38.1Very low192 Ų192139.3 Ų139.390%0.89774%0.744SS**  cis-116.4176.54.2-77.6142.414400109.4
253E29.7Very low37.3Very low194 Ų194141.6 Ų141.691%0.90776%0.755SS**  cis-144.5158.740.7-56.6-177.4150.800114.5
254E33.6Very low36.5Very low143 Ų143138.6 Ų138.667%0.66876%0.761SS**  trans-79.6167.1164.7-110-100.7132.900109.4L256E254-L256 PolarHBondContact OE2-N 2.76Å
255P35.7Very low35.5Very low117 Ų117138 Ų13876%0.7676%0.759SS**  cis-148.2171.246.841.6-20.2000120.7
256L31.6Very low34.5Very low132 Ų132139 Ų13969%0.69176%0.763SS**  trans-39.6132.1165.4-76152.4000117.6E254E254-L256 PolarHBondContact OE2-N 2.76Å
257S31.5Very low33.9Very low114 Ų114135 Ų13580%0.79776%0.758SS**  trans47.3113.6143.363.50000121
258G24.4Very low33Very low70 Ų70135 Ų13572%0.72275%0.753SS**  trans-176.573.8169.100000120.6
259S28Very low32.2Very low118 Ų118131.9 Ų131.983%0.82574%0.741SS**  trans70.9165.6153.683.70000121.6
260R29.5Very low31.9Very low207 Ų207135.8 Ų135.878%0.78174%0.743SS**  trans61.599.9162.8-84.6178.7162.1-103.9-2.3120.9
261Q28.9Very low31.6Very low143 Ų143137.1 Ų137.167%0.66875%0.747SS**  19.9122.9105.4176.3-175.6-4.200117.7
262E27.5Very low31.7Very low149 Ų149143.1 Ų143.170%0.69676%0.756SS**  -175.8156.9100.2-154.896.2-112.200110.2
263V37.8Very low31.9Very low112 Ų112142.8 Ų142.868%0.67976%0.755SS**  trans-85.4145.4179.3-176.40000111.1
264S30.4Very low31.9Very low118 Ų118136.7 Ų136.783%0.82574%0.744SS**  trans-149152.9149.8-161.80000111.9
265H32.1Very low32.3Very low136 Ų136139.2 Ų139.263%0.6375%0.753SS**  trans-119.5-175.6-172.6-69.9-103.1000111.3
266H32Very low32.3Very low173 Ų173142.9 Ų142.980%0.80176%0.76SS**  trans74.4154.7167-29.4-67.3000113.7
267S36.9Very low32.6Very low99 Ų99145.8 Ų145.869%0.69277%0.767SS**  cis-154.9141.22.3-125.20000107.5
268R32.2Very low33.3Very low190 Ų190150.6 Ų150.672%0.71777%0.773SS**  82.7129.482.4-177.9-176.1164156.48.6114.1
269E28.4Very low34.1Very low130 Ų130156.3 Ų156.361%0.60778%0.778SS**  trans64.4154.7162-79.3159.7-171.700118.7
270E32.7Very low34.9Very low179 Ų179162 Ų16284%0.83678%0.782SS**  cis-153.2-161.6-31-137.1174.2-145.200110.5
271A34.2Very low35.4Very low91 Ų91159.1 Ų159.175%0.75278%0.782SS**  trans-71.5154.2-164.400000117.5
272E33.2Very low36.6Very low199 Ų199157 Ų15793%0.9378%0.781SS**  -160162.8124-125.5-164.7168.300114.1
273E39.8Very low37.7Very low184 Ų184158.7 Ų158.786%0.8679%0.788SS**  trans-81.1122.7178.8-87.2-163.880.400113.8
274G30.7Very low38.5Very low66 Ų66159.7 Ų159.768%0.6878%0.78SS**  trans-114.626.2-169.700000118.7Q276G274-Q276 PolarHBondContact O-N 2.92Å; G274-Q276 VanDerWaalsContact O-N 3.13Å
275K40.5Very low40.2Very low196 Ų196157.5 Ų157.585%0.85276%0.762SS**  trans24.869.6169.1-67.9178.5-179166.40117.8K277K275-K277 PolarHBondContact O-N 3.09Å
276Q35.6Very low41.8Very low195 Ų195155.9 Ų155.991%0.91176%0.763SS**  trans-85.296.6172.2-65.4-140.6300113.2G274G274-Q276 PolarHBondContact O-N 2.92Å; G274-Q276 VanDerWaalsContact O-N 3.13Å
277K38.1Very low43.3Very low192 Ų192154.3 Ų154.384%0.83576%0.756SS**  trans-20.3125.4167.8-62160.6-175.9170.70115.4K275 K279K275-K277 PolarHBondContact O-N 3.09Å; K277-K279 PolarHBondContact O-N 2.9Å
278K46.2Very low44.7Very low215 Ų215153.4 Ų153.494%0.93574%0.741SS**  trans-55.5106.8157.3-74-178.5175.8176.40109.4
279K41.9Very low46.7Very low191 Ų191153 Ų15383%0.8374%0.74SS**  trans-89.3138.4149.5-83.7-166170.5-170.60108.5K277K277-K279 PolarHBondContact O-N 2.9Å
280R44.6Very low48.7Very low237 Ų237153 Ų15389%0.89474%0.74SS**  trans-117.787.9-170.5175.9-166.8-169.8-179.74.3105.6
281D40.2Very low50.5Low146 Ų146149.8 Ų149.878%0.78173%0.728SS**  trans-71.1141.2178.7-74.8-51.6000110.8
282P53.3Low52.4Low100 Ų100149 Ų14965%0.64971%0.708SS**  trans-78.4162.5174.234.7-35.2000111.3
283E51.3Low54.1Low184 Ų184145.5 Ų145.586%0.8669%0.693SS**  trans56.167.6161.9-61.8-177.1115.100117.1T285E283-T285 PolarHBondContact O-N 3.22Å
284R53.5Low55.5Low132 Ų132140.4 Ų140.450%0.49867%0.671SS.*  trans-64.6122151.7166.1163.5-82.6147.3-4.3109E288 R289 Q292R284-E288 HydrophobicContact CG-CB 4.28Å; R284-E288 WeakPolarHBondContact CG-OE2 3.17Å; R284-E288 IonicContact CZ-OE1 3.35Å; R284-E288 IonicContact CZ-OE2 3.36Å; R284-E288 IonicContact NE-OE1 3.44Å; R284-E288 PolarHBondContact NE-OE1 3.07Å; R284-E288 IonicContact NE-OE2 3.22Å; R284-E288 PolarHBondContact NE-OE2 3.05Å; R284-E288 IonicContact NH2-OE1 2.71Å; R284-E288 PolarHBondContact NH2-OE1 3.42Å; R284-E288 IonicContact NH2-OE2 2.68Å; R284-R289 HydrophobicContact CG-CB 4.47Å; R284-Q292 VanDerWaalsContact NH2-NE2 3.16Å
285T67.4Low57.3Low73 Ų73140.8 Ų140.845%0.44867%0.668SS.*  trans-67.9156.9179.4610000111.6E283 E287 E288 R289E283-T285 PolarHBondContact O-N 3.22Å; T285-E287 VanDerWaalsContact C-N 3.34Å; T285-E287 PolarHBondContact O-N 3.31Å; T285-E288 PolarHBondContact O-N 2.94Å; T285-E288 WeakPolarHBondContact OG1-CB 3.48Å; T285-E288 PolarHBondContact OG1-N 3.33Å; T285-R289 PolarHBondContact O-N 2.85Å
286P65.7Low58.5Low101 Ų101141 Ų14166%0.65666%0.663SS**Hα-helixtrans-58.4-43.7177.221-32.3000112.4E288 R289 E290P286-E288 PolarHBondContact O-N 2.88Å; P286-R289 WeakPolarHBondContact O-CB 3.45Å; P286-R289 PolarHBondContact O-N 3.17Å; P286-R289 VanDerWaalsContact O-N 3.08Å; P286-E290 PolarHBondContact O-N 3.13Å
287E62.3Low59.9Low141 Ų141137.9 Ų137.966%0.65964%0.643SS**Hα-helixtrans-57.1-44.8176.4-63.4178.1123.600112.3T285 R289 E290 L291T285-E287 VanDerWaalsContact C-N 3.34Å; T285-E287 PolarHBondContact O-N 3.31Å; E287-R289 PolarHBondContact O-N 2.96Å; E287-E290 PolarHBondContact O-N 2.71Å; E287-E290 VanDerWaalsContact O-N 3.12Å; E287-L291 WeakPolarHBondContact O-CB 3.26Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.32Å; E287-L291 PolarHBondContact O-N 2.87Å
288E67.9Low60.8Low80 Ų80131.3 Ų131.337%0.37462%0.622SS.*Hα-helixtrans-68.3-24-179.2-156.4-132.7148.300111.9R284 T285 P286 Q292R284-E288 HydrophobicContact CG-CB 4.28Å; R284-E288 WeakPolarHBondContact CG-OE2 3.17Å; R284-E288 IonicContact CZ-OE1 3.35Å; R284-E288 IonicContact CZ-OE2 3.36Å; R284-E288 IonicContact NE-OE1 3.44Å; R284-E288 PolarHBondContact NE-OE1 3.07Å; R284-E288 IonicContact NE-OE2 3.22Å; R284-E288 PolarHBondContact NE-OE2 3.05Å; R284-E288 IonicContact NH2-OE1 2.71Å; R284-E288 PolarHBondContact NH2-OE1 3.42Å; R284-E288 IonicContact NH2-OE2 2.68Å; T285-E288 PolarHBondContact O-N 2.94Å; T285-E288 WeakPolarHBondContact OG1-CB 3.48Å; T285-E288 PolarHBondContact OG1-N 3.33Å; P286-E288 PolarHBondContact O-N 2.88Å; E288-Q292 VanDerWaalsContact O-CB 3.26Å; E288-Q292 WeakPolarHBondContact O-CB 3.4Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 VanDerWaalsContact O-N 3.16Å
289R72.9Confident61.3Low181 Ų181125.5 Ų125.568%0.68361%0.606SS**Hα-helixtrans-74.4-39.8171-169.6177.7-178.3174-1.2111.9R284 T285 P286 E287 Q292 M293R284-R289 HydrophobicContact CG-CB 4.47Å; T285-R289 PolarHBondContact O-N 2.85Å; P286-R289 WeakPolarHBondContact O-CB 3.45Å; P286-R289 PolarHBondContact O-N 3.17Å; P286-R289 VanDerWaalsContact O-N 3.08Å; E287-R289 PolarHBondContact O-N 2.96Å; R289-Q292 PolarHBondContact O-N 2.69Å; R289-M293 VanDerWaalsContact O-CG 3.31Å; R289-M293 WeakPolarHBondContact O-CG 3.3Å; R289-M293 PolarHBondContact O-N 3.17Å; R289-M293 VanDerWaalsContact O-N 3.13Å
290E70.6Confident61.7Low130 Ų130121.8 Ų121.861%0.60759%0.591SS**Hα-helixtrans-69.2-45.1175.9-69.5-178.717300111.9P286 E287 Q292 M293 I294P286-E290 PolarHBondContact O-N 3.13Å; E287-E290 PolarHBondContact O-N 2.71Å; E287-E290 VanDerWaalsContact O-N 3.12Å; E290-Q292 PolarHBondContact O-N 3.18Å; E290-M293 WeakPolarHBondContact O-CA 3.43Å; E290-M293 WeakPolarHBondContact O-CB 3.11Å; E290-M293 PolarHBondContact O-N 3.38Å; E290-I294 WeakPolarHBondContact O-CG1 3.4Å; E290-I294 PolarHBondContact O-N 3.36Å
291L70Confident62.1Low112 Ų112115.6 Ų115.659%0.58657%0.573SS**Hα-helixtrans-58.2-36.9173-69.2172000111.6E287 M293 I294 A295E287-L291 WeakPolarHBondContact O-CB 3.26Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.32Å; E287-L291 PolarHBondContact O-N 2.87Å; L291-M293 VanDerWaalsContact C-N 3.34Å; L291-I294 PolarHBondContact O-N 3.32Å; L291-A295 VanDerWaalsContact O-CB 3.24Å; L291-A295 WeakPolarHBondContact O-CB 3.35Å; L291-A295 PolarHBondContact O-N 3.36Å
292Q75.4Confident62.8Low74 Ų74114.7 Ų114.735%0.34656%0.558SS.*Hα-helixtrans-71.8-24.2174.6-170.8158.7108.900113.8R284 E288 R289 E290 R296R284-Q292 VanDerWaalsContact NH2-NE2 3.16Å; E288-Q292 VanDerWaalsContact O-CB 3.26Å; E288-Q292 WeakPolarHBondContact O-CB 3.4Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 VanDerWaalsContact O-N 3.16Å; R289-Q292 PolarHBondContact O-N 2.69Å; E290-Q292 PolarHBondContact O-N 3.18Å; Q292-R296 WeakPolarHBondContact O-CB 3.09Å; Q292-R296 WeakPolarHBondContact O-CD 3.39Å; Q292-R296 VanDerWaalsContact O-CG 3.23Å; Q292-R296 WeakPolarHBondContact O-CG 3.17Å; Q292-R296 PolarHBondContact O-N 3.42Å
293M67.5Low62.8Low125 Ų125115.5 Ų115.562%0.61655%0.551SS**Hα-helixtrans-73.6-46.2168.2-63.7-85.2-74.500110.4R289 E290 L291 A295 R296 R297R289-M293 VanDerWaalsContact O-CG 3.31Å; R289-M293 WeakPolarHBondContact O-CG 3.3Å; R289-M293 PolarHBondContact O-N 3.17Å; R289-M293 VanDerWaalsContact O-N 3.13Å; E290-M293 WeakPolarHBondContact O-CA 3.43Å; E290-M293 WeakPolarHBondContact O-CB 3.11Å; E290-M293 PolarHBondContact O-N 3.38Å; L291-M293 VanDerWaalsContact C-N 3.34Å; M293-A295 VanDerWaalsContact C-N 3.32Å; M293-A295 PolarHBondContact O-N 3.32Å; M293-R296 PolarHBondContact O-N 3.28Å; M293-R297 PolarHBondContact O-N 3.46Å; M293-R297 VanDerWaalsContact O-N 3.15Å
294I70.8Confident62.9Low77 Ų77111.8 Ų111.840%0.39554%0.541SS..Hα-helixtrans-62.7-37.1178.5-65160000111.9E290 L291 R296 R302E290-I294 WeakPolarHBondContact O-CG1 3.4Å; E290-I294 PolarHBondContact O-N 3.36Å; L291-I294 PolarHBondContact O-N 3.32Å; I294-R296 PolarHBondContact O-N 3.23Å; I294-R302 PolarHBondContact O-NH2 3.3Å
295A66.9Low62.7Low74 Ų74113.5 Ų113.561%0.61256%0.557SS**THydrogen-bonded Turntrans-73.4-12.1174.800000114L291 M293L291-A295 VanDerWaalsContact O-CB 3.24Å; L291-A295 WeakPolarHBondContact O-CB 3.35Å; L291-A295 PolarHBondContact O-N 3.36Å; M293-A295 VanDerWaalsContact C-N 3.32Å; M293-A295 PolarHBondContact O-N 3.32Å
296R66.5Low62Low201 Ų201118.1 Ų118.176%0.75857%0.573SS**THydrogen-bonded Turntrans-105.6-7.8177.9-75178.5175.3-144.5-1.4114.4Q292 M293 I294Q292-R296 WeakPolarHBondContact O-CB 3.09Å; Q292-R296 WeakPolarHBondContact O-CD 3.39Å; Q292-R296 VanDerWaalsContact O-CG 3.23Å; Q292-R296 WeakPolarHBondContact O-CG 3.17Å; Q292-R296 PolarHBondContact O-N 3.42Å; M293-R296 PolarHBondContact O-N 3.28Å; I294-R296 PolarHBondContact O-N 3.23Å
297R64.1Low61.5Low129 Ų129120.5 Ų120.549%0.48758%0.576SS.*SBendtrans-62.2140.7168.5-71-162.8174.3101-0.5110.4M293 E301M293-R297 PolarHBondContact O-N 3.46Å; M293-R297 VanDerWaalsContact O-N 3.15Å; R297-E301 HydrophobicContact CB-CB 4.48Å; R297-E301 WeakPolarHBondContact CB-OE2 3.38Å; R297-E301 WeakPolarHBondContact CD-OE2 3.15Å; R297-E301 VanDerWaalsContact CG-OE2 3.25Å; R297-E301 WeakPolarHBondContact CG-OE2 3.37Å
298S58.5Low61.1Low54 Ų54123.2 Ų123.238%0.37859%0.589SS.*  trans-71.3160.3-178.661.60000111.7E300 E301S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 PolarHBondContact O-N 3.34Å; S298-E301 PolarHBondContact O-N 3.16Å
299P56.9Low60.3Low93 Ų93121.8 Ų121.860%0.60460%0.595SS**Hα-helixtrans-58.3-35.1178.2-26.336.5000113.7R302P299-R302 PolarHBondContact O-N 3.05Å
300E49.7Very low59.5Low113 Ų113117.8 Ų117.853%0.52860%0.595SS.*Hα-helixtrans-60.2-44.1175.3-88.747.8-116.300113S298 R302 K303S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 PolarHBondContact O-N 3.34Å; E300-R302 PolarHBondContact O-N 3.15Å; E300-K303 PolarHBondContact O-N 3.41Å; E300-K303 IonicContact OE1-NZ 3.2Å; E300-K303 PolarHBondContact OE1-NZ 2.86Å
301E52.6Low58.7Low107 Ų107114.1 Ų114.150%0.559%0.592SS.*Hα-helixtrans-65.6-25.7179.4-72.9-172.6148.400113.2R297 S298R297-E301 HydrophobicContact CB-CB 4.48Å; R297-E301 WeakPolarHBondContact CB-OE2 3.38Å; R297-E301 WeakPolarHBondContact CD-OE2 3.15Å; R297-E301 VanDerWaalsContact CG-OE2 3.25Å; R297-E301 WeakPolarHBondContact CG-OE2 3.37Å; S298-E301 PolarHBondContact O-N 3.16Å
302R54.8Low58.1Low128 Ų128114.2 Ų114.248%0.48360%0.598SS.*Hα-helixtrans-72.7-38178.9-69-171177.1-160.5-3112.6I294 P299 E300 V304 M305I294-R302 PolarHBondContact O-NH2 3.3Å; P299-R302 PolarHBondContact O-N 3.05Å; E300-R302 PolarHBondContact O-N 3.15Å; R302-V304 VanDerWaalsContact C-N 3.3Å; R302-V304 PolarHBondContact O-N 2.84Å; R302-M305 PolarHBondContact O-N 3.4Å
303K53Low57.3Low116 Ų116119 Ų11950%0.50461%0.612SS.*Hα-helixtrans-59.8-41.1179.1-64.4169.5-174.3166.20111.8E300 M305 E306 E307E300-K303 PolarHBondContact O-N 3.41Å; E300-K303 IonicContact OE1-NZ 3.2Å; E300-K303 PolarHBondContact OE1-NZ 2.86Å; K303-M305 PolarHBondContact O-N 3.41Å; K303-E306 PolarHBondContact O-N 3.21Å; K303-E307 PolarHBondContact O-N 3.28Å
304V53.5Low56.8Low107 Ų107124 Ų12465%0.64862%0.624SS**Hα-helixtrans-61.3-26.3-179.3-175.40000112.4R302R302-V304 VanDerWaalsContact C-N 3.3Å; R302-V304 PolarHBondContact O-N 2.84Å
305M49.8Very low56.4Low168 Ų168123.5 Ų123.583%0.82863%0.628SS**THydrogen-bonded Turntrans-92.6-3.7179.4-138.1-175.881.800113.9R302 K303R302-M305 PolarHBondContact O-N 3.4Å; K303-M305 PolarHBondContact O-N 3.41Å
306E53Low56.2Low169 Ų169124.3 Ų124.379%0.7962%0.619SS**THydrogen-bonded Turntrans-104.2-1174-67.1177.4173.500111.8K303K303-E306 PolarHBondContact O-N 3.21Å
307E54.5Low56.5Low152 Ų152121.3 Ų121.371%0.7161%0.614SS**  trans-99.3-5.9-175.1-150.3173.7142.400114.6K303 G309K303-E307 PolarHBondContact O-N 3.28Å; E307-G309 PolarHBondContact O-N 3.14Å
308E53.9Low57.1Low198 Ų198118.8 Ų118.893%0.92561%0.614SS**  trans-79.964.1170.6-68-158.6122.400111.8
309G52.1Low58.2Low50 Ų50122.3 Ų122.352%0.51562%0.624SS.*  trans-157.334.2-172.800000114.9E307E307-G309 PolarHBondContact O-N 3.14Å
310S54.6Low59.5Low97 Ų97123 Ų12368%0.67862%0.622SS**  trans-133.771-179-710000113.8
311G55.2Low61.3Low53 Ų53124.7 Ų124.755%0.54663%0.63SS.*SBendtrans-112.3151.7155.600000110.3R313G311-R313 PolarHBondContact O-N 3.18Å
312T58Low63Low114 Ų114122.8 Ų122.870%0.69963%0.629SS**  trans62.513.7164.863.50000121.1R314T312-R314 PolarHBondContact O-N 3.23Å
313R57.1Low64.9Low173 Ų173122.2 Ų122.265%0.65363%0.634SS**THydrogen-bonded Turntrans-68.353.6170.4-61.5-167.5-167.6-174.95.7115.2G311G311-R313 PolarHBondContact O-N 3.18Å
314R58.2Low66.9Low230 Ų230119.2 Ų119.287%0.86863%0.631SS**THydrogen-bonded Turntrans-145.8-4.1173.5-76.2-158.3174.6-171-1.3115.3T312T312-R314 PolarHBondContact O-N 3.23Å
315S60.8Low68.8Low67 Ų67116.4 Ų116.447%0.46962%0.619SS.*THydrogen-bonded Turntrans-102.1-20168.746.10000113.1P318S315-P318 WeakPolarHBondContact O-CD 3.37Å; S315-P318 WeakPolarHBondContact O-CG 3.26Å
316E62.8Low70.9Confident91 Ų91112.5 Ų112.543%0.42560%0.601SS.*Hα-helixtrans-78.9-33-172.5-60.7169.9148.500113.1E319 I320E316-E319 PolarHBondContact O-N 3.06Å; E316-E319 VanDerWaalsContact O-N 3.09Å; E316-I320 HydrophobicContact CB-CD1 4.33Å; E316-I320 VanDerWaalsContact O-CG1 3.28Å; E316-I320 WeakPolarHBondContact O-CG1 3.34Å; E316-I320 PolarHBondContact O-N 3.06Å
317E73.2Confident73Confident138 Ų138111.3 Ų111.365%0.64560%0.595SS**Hα-helixtrans-54.6-49.6179.7-67.4-179.614200114.1E319 I320 E321E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 3.41Å; E317-I320 PolarHBondContact O-N 2.76Å; E317-E321 PolarHBondContact O-N 3.4Å
318P76.5Confident74.9Confident77 Ų77107.5 Ų107.550%0.559%0.586SS.*Hα-helixtrans-70.1-23.117628.3-36.6000113.7S315 S322S315-P318 WeakPolarHBondContact O-CD 3.37Å; S315-P318 WeakPolarHBondContact O-CG 3.26Å; P318-S322 VanDerWaalsContact O-CB 3.27Å; P318-S322 WeakPolarHBondContact O-CB 3.4Å; P318-S322 PolarHBondContact O-N 3.39Å
319E82.5Confident76.9Confident127 Ų127104.6 Ų104.659%0.59357%0.572SS**Hα-helixtrans-73.2-39.6172.7-65.9-176.9-179.600110.7E316 E317 S322 L323E316-E319 PolarHBondContact O-N 3.06Å; E316-E319 VanDerWaalsContact O-N 3.09Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 3.41Å; E319-S322 PolarHBondContact O-N 3.32Å; E319-L323 WeakPolarHBondContact O-CB 3.41Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.25Å; E319-L323 PolarHBondContact O-N 3.1Å
320I84.1Confident79.1Confident108 Ų108107.7 Ų107.755%0.55458%0.576SS**Hα-helixtrans-65.3-42.3173.8-65.6161.2000111E316 E317 L323 A324E316-I320 HydrophobicContact CB-CD1 4.33Å; E316-I320 VanDerWaalsContact O-CG1 3.28Å; E316-I320 WeakPolarHBondContact O-CG1 3.34Å; E316-I320 PolarHBondContact O-N 3.06Å; E317-I320 PolarHBondContact O-N 2.76Å; I320-L323 PolarHBondContact O-N 3.34Å; I320-A324 WeakPolarHBondContact O-CB 3.47Å; I320-A324 PolarHBondContact O-N 3.5Å
321E88.4Confident81Confident149 Ų149108.6 Ų108.670%0.69657%0.57SS**Hα-helixtrans-63.1-42.4174.8-173.5174.5-162.300111.7E317 A324 A325E317-E321 PolarHBondContact O-N 3.4Å; E321-A324 PolarHBondContact O-N 2.97Å; E321-A325 PolarHBondContact O-N 3.25Å
322S88.3Confident83Confident67 Ų67110.9 Ų110.947%0.46957%0.57SS.*Hα-helixtrans-61.6-42.8174.6-175.20000112.4P318 E319 A325 I326P318-S322 VanDerWaalsContact O-CB 3.27Å; P318-S322 WeakPolarHBondContact O-CB 3.4Å; P318-S322 PolarHBondContact O-N 3.39Å; E319-S322 PolarHBondContact O-N 3.32Å; S322-A325 PolarHBondContact O-N 3.07Å; S322-I326 WeakPolarHBondContact O-CG1 3.22Å; S322-I326 PolarHBondContact O-N 3.29Å
323L94.5Very high84.9Confident115 Ų115109.3 Ų109.360%0.60256%0.559SS**Hα-helixtrans-65-41.8175.8-72.6168.8000112.2E319 I320 A325 I326 E327E319-L323 WeakPolarHBondContact O-CB 3.41Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.25Å; E319-L323 PolarHBondContact O-N 3.1Å; I320-L323 PolarHBondContact O-N 3.34Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-A325 PolarHBondContact O-N 3.06Å; L323-I326 PolarHBondContact O-N 3.09Å; L323-E327 PolarHBondContact O-N 3.44Å
324A93.5Very high86.7Confident53 Ų53103.3 Ų103.344%0.43855%0.547SS..Hα-helixtrans-65.2-36.4175.900000112.4I320 E321 E327 S328I320-A324 WeakPolarHBondContact O-CB 3.47Å; I320-A324 PolarHBondContact O-N 3.5Å; E321-A324 PolarHBondContact O-N 2.97Å; A324-E327 PolarHBondContact O-N 3.18Å; A324-S328 PolarHBondContact O-N 3.4Å
325A93.9Very high88.5Confident49 Ų4997.1 Ų97.141%0.40553%0.528SS..Hα-helixtrans-61.8-48172.500000111.2E321 S322 L323 E327 S328 E329E321-A325 PolarHBondContact O-N 3.25Å; S322-A325 PolarHBondContact O-N 3.07Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-A325 PolarHBondContact O-N 3.06Å; A325-E327 PolarHBondContact O-N 3.18Å; A325-S328 PolarHBondContact O-N 3.48Å; A325-S328 PolarHBondContact O-OG 2.89Å; A325-E329 PolarHBondContact O-N 3.18Å
326I94.9Very high90.1Very high86 Ų8699.9 Ų99.944%0.44153%0.531SS..Hα-helixtrans-61.1-41.8176.8-66.5163.1000111.5S322 L323 S328 E329 L330S322-I326 WeakPolarHBondContact O-CG1 3.22Å; S322-I326 PolarHBondContact O-N 3.29Å; L323-I326 PolarHBondContact O-N 3.09Å; I326-S328 VanDerWaalsContact C-N 3.33Å; I326-S328 PolarHBondContact O-N 3.35Å; I326-E329 PolarHBondContact O-N 3.4Å; I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.47Å; I326-L330 VanDerWaalsContact O-CG 3.3Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.89Å
327E95.4Very high91.7Very high143 Ų14398.8 Ų98.867%0.66853%0.528SS*.Hα-helixtrans-59.3-43.6174.9-174170-161.500111.3L323 A324 A325 E329 L330 E331L323-E327 PolarHBondContact O-N 3.44Å; A324-E327 PolarHBondContact O-N 3.18Å; A325-E327 PolarHBondContact O-N 3.18Å; E327-E329 PolarHBondContact O-N 3.27Å; E327-L330 PolarHBondContact O-N 2.97Å; E327-E331 PolarHBondContact O-N 3.29Å
328S95Very high92.7Very high73 Ų7397.6 Ų97.651%0.5152%0.522SS..Hα-helixtrans-66.8-35177.979.80000113.7A324 A325 I326 N332A324-S328 PolarHBondContact O-N 3.4Å; A325-S328 PolarHBondContact O-N 3.48Å; A325-S328 PolarHBondContact O-OG 2.89Å; I326-S328 VanDerWaalsContact C-N 3.33Å; I326-S328 PolarHBondContact O-N 3.35Å; S328-N332 WeakPolarHBondContact O-CB 3.46Å; S328-N332 PolarHBondContact O-N 3.12Å
329E96.1Very high93.5Very high136 Ų136100.1 Ų100.164%0.63653%0.527SS*.Hα-helixtrans-68.5-41.7173.1-72.5-169.4-178.300111.6A325 I326 E327 N332 V333A325-E329 PolarHBondContact O-N 3.18Å; I326-E329 PolarHBondContact O-N 3.4Å; E327-E329 PolarHBondContact O-N 3.27Å; E329-N332 PolarHBondContact O-N 2.83Å; E329-V333 WeakPolarHBondContact O-CG2 3.45Å; E329-V333 PolarHBondContact O-N 3.36Å
330L97.2Very high93.8Very high116 Ų116100.4 Ų100.461%0.60753%0.532SS*.Hα-helixtrans-65.4-38.5176.3-70.2173.1000111.9I326 E327 A334I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.47Å; I326-L330 VanDerWaalsContact O-CG 3.3Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.89Å; E327-L330 PolarHBondContact O-N 2.97Å; L330-A334 WeakPolarHBondContact O-CB 3.31Å; L330-A334 PolarHBondContact O-N 3.5Å
331E96.3Very high94Very high116 Ų116103.9 Ų103.954%0.54254%0.538SS..Hα-helixtrans-64.4-45.7173.2-161.4-167.6167.800111.2E327 V333 A334 Q335E327-E331 PolarHBondContact O-N 3.29Å; E331-V333 PolarHBondContact O-N 3.03Å; E331-A334 WeakPolarHBondContact O-CB 3.24Å; E331-A334 PolarHBondContact O-N 3.47Å; E331-A334 VanDerWaalsContact O-N 3.11Å; E331-Q335 HydrophobicContact CG-CG 4.42Å; E331-Q335 WeakPolarHBondContact O-CG 3.35Å; E331-Q335 PolarHBondContact O-N 3.44Å; E331-Q335 PolarHBondContact OE1-NE2 3.43Å
332N96.8Very high93.8Very high101 Ų101107.8 Ų107.854%0.5455%0.546SS..Hα-helixtrans-58.5-45.9177-171.8-40.9000111.6S328 E329 A334 Q335 K336S328-N332 WeakPolarHBondContact O-CB 3.46Å; S328-N332 PolarHBondContact O-N 3.12Å; E329-N332 PolarHBondContact O-N 2.83Å; N332-A334 VanDerWaalsContact C-N 3.34Å; N332-A334 PolarHBondContact O-N 3.1Å; N332-Q335 PolarHBondContact O-N 3.16Å; N332-K336 VanDerWaalsContact O-CB 3.31Å; N332-K336 WeakPolarHBondContact O-CB 3.4Å; N332-K336 PolarHBondContact O-N 3.44Å
333V96.7Very high92.6Very high80 Ų80110.6 Ų110.649%0.48559%0.586SS.*Hα-helixtrans-61.2-41.1174.3170.10000111.5E329 E331 I337E329-V333 WeakPolarHBondContact O-CG2 3.45Å; E329-V333 PolarHBondContact O-N 3.36Å; E331-V333 PolarHBondContact O-N 3.03Å; V333-I337 HydrophobicContact CG1-CD1 3.77Å; V333-I337 WeakPolarHBondContact O-CB 3.32Å; V333-I337 WeakPolarHBondContact O-CD1 3.34Å; V333-I337 VanDerWaalsContact O-CG1 3.22Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.25Å
334A95.8Very high92.5Very high47 Ų47110.4 Ų110.439%0.38859%0.585SS.*Hα-helixtrans-65-44.7176.300000112.4L330 E331 N332 I337 H338L330-A334 WeakPolarHBondContact O-CB 3.31Å; L330-A334 PolarHBondContact O-N 3.5Å; E331-A334 WeakPolarHBondContact O-CB 3.24Å; E331-A334 PolarHBondContact O-N 3.47Å; E331-A334 VanDerWaalsContact O-N 3.11Å; N332-A334 VanDerWaalsContact C-N 3.34Å; N332-A334 PolarHBondContact O-N 3.1Å; A334-I337 PolarHBondContact O-N 3.13Å; A334-H338 PolarHBondContact O-CD2 3.29Å; A334-H338 PolarHBondContact O-N 3.38Å
335Q95.6Very high92.4Very high101 Ų101113.4 Ų113.447%0.47259%0.593SS.*Hα-helixtrans-60-48.3175.4-70.118015.300110.8E331 N332 I337 H338 E339E331-Q335 HydrophobicContact CG-CG 4.42Å; E331-Q335 WeakPolarHBondContact O-CG 3.35Å; E331-Q335 PolarHBondContact O-N 3.44Å; E331-Q335 PolarHBondContact OE1-NE2 3.43Å; N332-Q335 PolarHBondContact O-N 3.16Å; Q335-I337 VanDerWaalsContact C-N 3.33Å; Q335-I337 PolarHBondContact O-N 2.85Å; Q335-H338 CarbonylContact O-C 3.52Å; Q335-H338 WeakPolarHBondContact O-CA 3.47Å; Q335-H338 VanDerWaalsContact O-CB 3.32Å; Q335-H338 WeakPolarHBondContact O-CB 3.23Å; Q335-H338 PolarHBondContact O-N 3.22Å; Q335-E339 PolarHBondContact O-N 2.68Å
336K95.4Very high92.4Very high125 Ų125116.9 Ų116.954%0.54360%0.603SS.*Hα-helixtrans-61.5-37177.2-169.7170.9-172.7170.60113.2N332 H338 E339 L340N332-K336 VanDerWaalsContact O-CB 3.31Å; N332-K336 WeakPolarHBondContact O-CB 3.4Å; N332-K336 PolarHBondContact O-N 3.44Å; K336-H338 VanDerWaalsContact C-N 3.31Å; K336-E339 PolarHBondContact O-N 3.04Å; K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 VanDerWaalsContact O-CG 3.31Å; K336-L340 WeakPolarHBondContact O-CG 3.47Å; K336-L340 PolarHBondContact O-N 3.08Å
337I95.1Very high92.2Very high68 Ų68118.8 Ų118.835%0.34961%0.613SS.*Hα-helixtrans-67.4-32.5171.6-73168.3000111.3V333 A334 Q335 R341V333-I337 HydrophobicContact CG1-CD1 3.77Å; V333-I337 WeakPolarHBondContact O-CB 3.32Å; V333-I337 WeakPolarHBondContact O-CD1 3.34Å; V333-I337 VanDerWaalsContact O-CG1 3.22Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.25Å; A334-I337 PolarHBondContact O-N 3.13Å; Q335-I337 VanDerWaalsContact C-N 3.33Å; Q335-I337 PolarHBondContact O-N 2.85Å; I337-R341 WeakPolarHBondContact O-CB 3.48Å; I337-R341 WeakPolarHBondContact O-CD 3.35Å; I337-R341 WeakPolarHBondContact O-CG 3.26Å; I337-R341 PolarHBondContact O-N 3.13Å
338H94.1Very high92Very high112 Ų112117.3 Ų117.352%0.51961%0.609SS.*Hα-helixtrans-72.6-34.6173.7-91.8-78.4000113.3A334 Q335 K336 R341 R342A334-H338 PolarHBondContact O-CD2 3.29Å; A334-H338 PolarHBondContact O-N 3.38Å; Q335-H338 CarbonylContact O-C 3.52Å; Q335-H338 WeakPolarHBondContact O-CA 3.47Å; Q335-H338 VanDerWaalsContact O-CB 3.32Å; Q335-H338 WeakPolarHBondContact O-CB 3.23Å; Q335-H338 PolarHBondContact O-N 3.22Å; K336-H338 VanDerWaalsContact C-N 3.31Å; H338-R341 PolarHBondContact O-N 3.35Å; H338-R342 PolarHBondContact O-N 2.71Å
339E93.1Very high91.8Very high131 Ų131120.2 Ų120.261%0.61262%0.616SS**Hα-helixtrans-64.7-51.3171.8-68.6177.2153.500111.2Q335 K336 R341 R342 G343Q335-E339 PolarHBondContact O-N 2.68Å; K336-E339 PolarHBondContact O-N 3.04Å; E339-R341 PolarHBondContact O-N 3.19Å; E339-R342 WeakPolarHBondContact O-CA 3.31Å; E339-R342 PolarHBondContact O-N 3.41Å; E339-G343 PolarHBondContact O-N 2.99Å; E339-G343 VanDerWaalsContact O-N 3.11Å
340L90.4Very high91.5Very high132 Ų132119.1 Ų119.169%0.69161%0.614SS**THydrogen-bonded Turntrans-60.6-15.4175.6-69.6169.9000114K336K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 VanDerWaalsContact O-CG 3.31Å; K336-L340 WeakPolarHBondContact O-CG 3.47Å; K336-L340 PolarHBondContact O-N 3.08Å
341R86.6Confident91.1Very high182 Ų182119.3 Ų119.369%0.68762%0.615SS**THydrogen-bonded Turntrans-94.5-9.6172.4-74.4169.8-179.9162.51.8113.8I337 H338 E339I337-R341 WeakPolarHBondContact O-CB 3.48Å; I337-R341 WeakPolarHBondContact O-CD 3.35Å; I337-R341 WeakPolarHBondContact O-CG 3.26Å; I337-R341 PolarHBondContact O-N 3.13Å; H338-R341 PolarHBondContact O-N 3.35Å; E339-R341 PolarHBondContact O-N 3.19Å
342R85.9Confident90.6Very high230 Ų230119.6 Ų119.687%0.86862%0.621SS**THydrogen-bonded Turntrans-98.2-27.5174.3-77.5-176.4171.5-176.30.3113H338 E339H338-R342 PolarHBondContact O-N 2.71Å; E339-R342 WeakPolarHBondContact O-CA 3.31Å; E339-R342 PolarHBondContact O-N 3.41Å
343G62.2Low90.1Very high126 Ų126121.3 Ų121.3100%1.29963%0.628SS**  trans121.10175.200000112.3E339E339-G343 PolarHBondContact O-N 2.99Å; E339-G343 VanDerWaalsContact O-N 3.11Å

Retrieved 343 of 343 residues in 308.3 ms (Link to these results)