A0A096N6N9_PAPAN Loading...

Protein-serine/threonine kinase

AlphaFold DB (A0A2K5MV72), UniProt , Accession A0A096N6N9, Species PAPAN (Papio anubis, Olive baboon), Gene PDK3, Length 431 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
1M41.1Very low45.2Very low213 Ų213139.7 Ų139.7100%1.04963%0.627SS**  0-35.20-69.8-168.2-159.100115.5F4M1-F4 PolarHBondContact O-N 2.7Å
2R31.9Very low47.8Very low243 Ų243132.3 Ų132.392%0.91760%0.6SS**THydrogen-bonded Turntrans-70.1-33.1-177.7-79.2-177.7174.9-179-1.4115.9F4R2-F4 PolarHBondContact O-N 3.01Å
3L35.5Very low50.3Low140 Ų140129.3 Ų129.373%0.73360%0.601SS**THydrogen-bonded Turntrans-66.5-21.4175.3-124.389.6000113.4
4F41.1Very low53Low138 Ų138127.7 Ų127.761%0.60559%0.591SS**THydrogen-bonded Turntrans-96.6-28.6-164.3-77.9-93.8000114M1 R2 W6 L7M1-F4 PolarHBondContact O-N 2.7Å; R2-F4 PolarHBondContact O-N 3.01Å; F4-W6 PolarHBondContact O-N 2.99Å; F4-L7 HydrophobicContact CB-CD1 4.37Å; F4-L7 HydrophobicContact CD1-CD1 3.49Å; F4-L7 VanDerWaalsContact CD1-CD1 3.49Å; F4-L7 HydrophobicContact CE1-CD1 3.99Å; F4-L7 HydrophobicContact CG-CD1 4.11Å; F4-L7 WeakPolarHBondContact O-CB 3.31Å; F4-L7 PolarHBondContact O-N 3.3Å
5R37.5Very low55.5Low217 Ų217120.3 Ų120.382%0.81956%0.557SS**THydrogen-bonded Turntrans-67.3-15.1167.5-83.4-174.3175.8-169.1-1.1113.2
6W44.1Very low57.7Low153 Ų153113.4 Ų113.458%0.5853%0.525SS*.THydrogen-bonded Turntrans-78-19.5174-174.483.8000113F4 K9 Q10F4-W6 PolarHBondContact O-N 2.99Å; W6-K9 PolarHBondContact O-N 3.33Å; W6-Q10 VanDerWaalsContact CD2-NE2 3.28Å; W6-Q10 HydrophobicContact CE3-CG 4.28Å; W6-Q10 HydrophobicContact CH2-CG 4.44Å; W6-Q10 HydrophobicContact CZ3-CG 4.09Å; W6-Q10 PolarHBondContact O-NE2 2.66Å
7L42.7Very low59.7Low39 Ų39111.3 Ų111.320%0.20452%0.516CS..THydrogen-bonded Turntrans-76.3-44-174.5-67.1167.1000112.6F4 K9 Q10 Q15F4-L7 HydrophobicContact CB-CD1 4.37Å; F4-L7 HydrophobicContact CD1-CD1 3.49Å; F4-L7 VanDerWaalsContact CD1-CD1 3.49Å; F4-L7 HydrophobicContact CE1-CD1 3.99Å; F4-L7 HydrophobicContact CG-CD1 4.11Å; F4-L7 WeakPolarHBondContact O-CB 3.31Å; F4-L7 PolarHBondContact O-N 3.3Å; L7-K9 PolarHBondContact O-N 2.9Å; L7-K9 VanDerWaalsContact O-N 3.13Å; L7-Q10 PolarHBondContact O-N 2.75Å; L7-Q10 VanDerWaalsContact O-N 3.11Å; L7-Q15 PolarHBondContact O-NE2 2.98Å
8L48Very low61.7Low114 Ų114110.1 Ų110.160%0.59751%0.506SS*.THydrogen-bonded Turntrans-67.5-8.5173-74.8163.8000113.3
9K47.8Very low63.5Low172 Ų172104.7 Ų104.775%0.74848%0.481SS*.THydrogen-bonded Turntrans-97-0174.4-69.8-173.6174-170.40113.7W6 L7W6-K9 PolarHBondContact O-N 3.33Å; L7-K9 PolarHBondContact O-N 2.9Å; L7-K9 VanDerWaalsContact O-N 3.13Å
10Q55.7Low65.1Low32 Ų3299.5 Ų99.515%0.1546%0.457CS..SBendtrans-76.4143.6175.6-68.8-56.2-6300110.8W6 L7 V12 K14W6-Q10 VanDerWaalsContact CD2-NE2 3.28Å; W6-Q10 HydrophobicContact CE3-CG 4.28Å; W6-Q10 HydrophobicContact CH2-CG 4.44Å; W6-Q10 HydrophobicContact CZ3-CG 4.09Å; W6-Q10 PolarHBondContact O-NE2 2.66Å; L7-Q10 PolarHBondContact O-N 2.75Å; L7-Q10 VanDerWaalsContact O-N 3.11Å; Q10-V12 PolarHBondContact O-N 3.3Å; Q10-K14 HydrophobicContact CB-CB 4.28Å; Q10-K14 VanDerWaalsContact OE1-NZ 3.17Å
11P72.2Confident66.6Low76 Ų76103.1 Ų103.149%0.49447%0.467SS..  trans-51.6137.6168.3-2431.7000111P13 K14P11-P13 VanDerWaalsContact O-N 3.1Å; P11-K14 WeakPolarHBondContact O-CB 3.31Å; P11-K14 PolarHBondContact O-N 3.33Å
12V76.5Confident69.3Low51 Ų5197.6 Ų97.631%0.30944%0.437SS..Hα-helixtrans-46.2-40.1179.2179.80000113.7Q10 K14 Q15 I16 M85 L89Q10-V12 PolarHBondContact O-N 3.3Å; V12-K14 VanDerWaalsContact C-N 3.29Å; V12-K14 PolarHBondContact O-N 3.4Å; V12-Q15 WeakPolarHBondContact O-CB 3.43Å; V12-Q15 PolarHBondContact O-N 3.29Å; V12-Q15 VanDerWaalsContact O-N 3.11Å; V12-I16 HydrophobicContact CG1-CD1 4.22Å; V12-I16 PolarHBondContact O-N 3.1Å; V12-M85 HydrophobicContact CG1-CE 4.04Å; V12-M85 HydrophobicContact CG1-SD 3.33Å; V12-M85 WeakPolarHBondContact CG1-SD 3.36Å; V12-L89 HydrophobicContact CG1-CD2 3.9Å; V12-L89 HydrophobicContact CG2-CD2 3.88Å
13P80.1Confident72.4Confident93 Ų9390.1 Ų90.160%0.60442%0.422SS*.Hα-helixtrans-57.8-35175.4-27.436.5000114.8P11 I16 E17P11-P13 VanDerWaalsContact O-N 3.1Å; P13-I16 PolarHBondContact O-N 3.05Å; P13-E17 PolarHBondContact O-N 3.45Å
14K87.4Confident75.3Confident107 Ų10784 Ų8447%0.46539%0.39SS..Hα-helixtrans-71.6-30.3177.8-74.8-173.2178.9177.90112.5Q10 P11 V12 R18Q10-K14 HydrophobicContact CB-CB 4.28Å; Q10-K14 VanDerWaalsContact OE1-NZ 3.17Å; P11-K14 WeakPolarHBondContact O-CB 3.31Å; P11-K14 PolarHBondContact O-N 3.33Å; V12-K14 VanDerWaalsContact C-N 3.29Å; V12-K14 PolarHBondContact O-N 3.4Å; K14-R18 WeakPolarHBondContact O-CB 3.4Å; K14-R18 PolarHBondContact O-N 3.47Å
15Q90.3Very high78Confident16 Ų1679.8 Ų79.88%0.07538%0.378CS..Hα-helixtrans-68.2-45.7174.3-69.2-69.43.700110.5L7 V12 E17 R18 Y19 F88 L92L7-Q15 PolarHBondContact O-NE2 2.98Å; V12-Q15 WeakPolarHBondContact O-CB 3.43Å; V12-Q15 PolarHBondContact O-N 3.29Å; V12-Q15 VanDerWaalsContact O-N 3.11Å; Q15-E17 VanDerWaalsContact C-N 3.3Å; Q15-E17 PolarHBondContact O-N 3.24Å; Q15-R18 WeakPolarHBondContact O-CB 3.29Å; Q15-R18 PolarHBondContact O-N 2.82Å; Q15-R18 VanDerWaalsContact O-N 3.13Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.32Å; Q15-Y19 PolarHBondContact O-N 3Å; Q15-F88 HydrophobicContact CB-CE1 3.93Å; Q15-F88 HydrophobicContact CB-CZ 4.09Å; Q15-L92 HydrophobicContact CB-CD2 4.2Å; Q15-L92 HydrophobicContact CG-CD2 4.05Å
16I91.9Very high80.9Confident11 Ų1172.6 Ų72.66%0.05636%0.359CS..Hα-helixtrans-59.9-44.2175.4-63.2164.3000110.3V12 P13 R18 Y19 S20 A58 M61 R62 M85 F88V12-I16 HydrophobicContact CG1-CD1 4.22Å; V12-I16 PolarHBondContact O-N 3.1Å; P13-I16 PolarHBondContact O-N 3.05Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 2.99Å; I16-Y19 PolarHBondContact O-N 3.1Å; I16-S20 WeakPolarHBondContact O-CB 3.49Å; I16-S20 PolarHBondContact O-N 3.34Å; I16-S20 PolarHBondContact O-OG 3.32Å; I16-A58 HydrophobicContact CG2-CB 4.36Å; I16-M61 HydrophobicContact CD1-CE 3.58Å; I16-M61 HydrophobicContact CG1-CE 4.24Å; I16-M61 HydrophobicContact CG2-CB 4.42Å; I16-R62 HydrophobicContact CG2-CG 4.22Å; I16-M85 HydrophobicContact CD1-CE 3.46Å; I16-M85 VanDerWaalsContact CD1-CE 3.46Å; I16-M85 HydrophobicContact CD1-SD 3.89Å; I16-F88 HydrophobicContact CG1-CD1 4.26Å; I16-F88 HydrophobicContact CG1-CE1 3.96Å; I16-F88 HydrophobicContact CG1-CZ 4.32Å
17E91.8Very high83.5Confident77 Ų7766.7 Ų66.736%0.3634%0.339SS..Hα-helixtrans-59.1-40.6176.1-179.3169-157.700112.6P13 Q15 S20 R21P13-E17 PolarHBondContact O-N 3.45Å; Q15-E17 VanDerWaalsContact C-N 3.3Å; Q15-E17 PolarHBondContact O-N 3.24Å; E17-S20 WeakPolarHBondContact CA-OG 3.48Å; E17-S20 PolarHBondContact O-OG 3.28Å; E17-S20 VanDerWaalsContact O-OG 3.08Å; E17-R21 WeakPolarHBondContact O-CG 3.4Å; E17-R21 IonicContact OE1-CZ 3.01Å; E17-R21 IonicContact OE1-NE 2.64Å; E17-R21 IonicContact OE1-NH2 3.69Å; E17-R21 PolarHBondContact OE1-NH2 3.02Å
18R94.3Very high86.2Confident89 Ų8965.1 Ų65.134%0.33633%0.331SS..Hα-helixtrans-65.3-52.8176.3-178.4-177.3178-161.6-1.6111.8K14 Q15 I16 S20 R21 F22K14-R18 WeakPolarHBondContact O-CB 3.4Å; K14-R18 PolarHBondContact O-N 3.47Å; Q15-R18 WeakPolarHBondContact O-CB 3.29Å; Q15-R18 PolarHBondContact O-N 2.82Å; Q15-R18 VanDerWaalsContact O-N 3.13Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 2.99Å; R18-S20 VanDerWaalsContact C-N 3.33Å; R18-S20 PolarHBondContact O-N 3.35Å; R18-R21 PolarHBondContact O-N 2.96Å; R18-F22 HydrophobicContact CG-CE2 4.3Å; R18-F22 HydrophobicContact CG-CZ 4.48Å
19Y97.1Very high88.6Confident8 Ų859.7 Ų59.73%0.03130%0.303CS..Hα-helixtrans-68.7-32.7-174.6-84.3-95.5000112.8Q15 I16 R21 F22 P54 V55 A58 F88 L92Q15-Y19 WeakPolarHBondContact O-CD2 3.32Å; Q15-Y19 PolarHBondContact O-N 3Å; I16-Y19 PolarHBondContact O-N 3.1Å; Y19-R21 PolarHBondContact O-N 3.44Å; Y19-F22 HydrophobicContact CD1-CD2 4.21Å; Y19-F22 HydrophobicContact CD1-CE2 4.48Å; Y19-F22 HydrophobicContact CG-CD2 4.47Å; Y19-F22 WeakPolarHBondContact O-CB 3.36Å; Y19-F22 PolarHBondContact O-N 3.04Å; Y19-F22 VanDerWaalsContact O-N 3.12Å; Y19-P54 HydrophobicContact CD1-CB 3.69Å; Y19-P54 HydrophobicContact CE1-CB 3.67Å; Y19-P54 HydrophobicContact CG-CB 4.43Å; Y19-V55 HydrophobicContact CD1-CG2 3.81Å; Y19-V55 HydrophobicContact CE1-CG2 4.44Å; Y19-A58 VanDerWaalsContact CB-CB 3.48Å; Y19-F88 HydrophobicContact CD2-CE2 4.21Å; Y19-F88 AromaticContact CD2-CZ 3.89Å; Y19-F88 HydrophobicContact CD2-CZ 3.89Å; Y19-F88 HydrophobicContact CE2-CZ 4.47Å; Y19-F88 HydrophobicContact CG-CE2 4.03Å; Y19-F88 HydrophobicContact CG-CZ 4.18Å; Y19-L92 HydrophobicContact CD2-CD1 4.35Å; Y19-L92 HydrophobicContact CE1-CD1 4.35Å; Y19-L92 HydrophobicContact CE2-CD1 3.62Å
20S96.1Very high91Very high0 Ų055.4 Ų55.40%028%0.284CS..THydrogen-bonded Turntrans-69.8-12.2175.258.60000114.8I16 E17 R18 R62I16-S20 WeakPolarHBondContact O-CB 3.49Å; I16-S20 PolarHBondContact O-N 3.34Å; I16-S20 PolarHBondContact O-OG 3.32Å; E17-S20 WeakPolarHBondContact CA-OG 3.48Å; E17-S20 PolarHBondContact O-OG 3.28Å; E17-S20 VanDerWaalsContact O-OG 3.08Å; R18-S20 VanDerWaalsContact C-N 3.33Å; R18-S20 PolarHBondContact O-N 3.35Å; S20-R62 VanDerWaalsContact OG-CG 3.26Å; S20-R62 WeakPolarHBondContact OG-CG 3.29Å; S20-R62 PolarHBondContact OG-NH1 3.07Å
21R96.1Very high93Very high177 Ų17758.2 Ų58.267%0.66830%0.297SS*.THydrogen-bonded Turntrans-85.9-14.8171.7-68.5170.5-173.5-167.82.9112.4E17 R18 Y19E17-R21 WeakPolarHBondContact O-CG 3.4Å; E17-R21 IonicContact OE1-CZ 3.01Å; E17-R21 IonicContact OE1-NE 2.64Å; E17-R21 IonicContact OE1-NH2 3.69Å; E17-R21 PolarHBondContact OE1-NH2 3.02Å; R18-R21 PolarHBondContact O-N 2.96Å; Y19-R21 PolarHBondContact O-N 3.44Å
22F97.1Very high94.2Very high96 Ų9655.1 Ų55.142%0.42128%0.276SS..SBendtrans-78.4140172.5-63.3-48.6000110.1R18 Y19 V55 N59R18-F22 HydrophobicContact CG-CE2 4.3Å; R18-F22 HydrophobicContact CG-CZ 4.48Å; Y19-F22 HydrophobicContact CD1-CD2 4.21Å; Y19-F22 HydrophobicContact CD1-CE2 4.48Å; Y19-F22 HydrophobicContact CG-CD2 4.47Å; Y19-F22 WeakPolarHBondContact O-CB 3.36Å; Y19-F22 PolarHBondContact O-N 3.04Å; Y19-F22 VanDerWaalsContact O-N 3.12Å; F22-V55 HydrophobicContact CB-CG1 3.91Å; F22-V55 HydrophobicContact CB-CG2 3.81Å; F22-V55 HydrophobicContact CD2-CG2 3.95Å; F22-V55 HydrophobicContact CG-CG2 4.31Å; F22-N59 PolarHBondContact O-ND2 2.7Å
23S96.4Very high95.1Very high86 Ų8653.6 Ų53.660%0.60127%0.266SS*.PPolyproline II helixtrans-79.7131.9172.8-60.10000109.6
24P97.9Very high95.9Very high11 Ų1151.9 Ų51.97%0.07125%0.252CS..PPolyproline II helixtrans-54.7147169.3-24.833.9000111.8P26 V55 R56 L385P24-P26 VanDerWaalsContact O-CD 3.27Å; P24-P26 WeakPolarHBondContact O-CD 3.1Å; P24-V55 HydrophobicContact CG-CG1 4.4Å; P24-R56 HydrophobicContact CB-CG 4.31Å; P24-L385 HydrophobicContact CB-CB 4.14Å; P24-L385 HydrophobicContact CB-CD1 3.65Å
25S98.2Very high96.3Very high51 Ų5149 Ų4936%0.35724%0.24SC..  trans-99.4102.9179.9-45.80000109.3E52 R56S25-E52 VanDerWaalsContact CB-OE2 3.3Å; S25-E52 WeakPolarHBondContact CB-OE2 3.15Å; S25-E52 PolarHBondContact N-OE1 3.5Å; S25-E52 PolarHBondContact N-OE2 2.88Å; S25-E52 PolarHBondContact OG-OE2 2.82Å; S25-R56 PolarHBondContact O-NH2 3.23Å; S25-R56 VanDerWaalsContact O-NH2 3.1Å
26P98Very high96.4Very high65 Ų6548.7 Ų48.742%0.42224%0.24SC..  trans-74.3134.9178.830.6-34.5000111.1P24 E383 L385P24-P26 VanDerWaalsContact O-CD 3.27Å; P24-P26 WeakPolarHBondContact O-CD 3.1Å; P26-E383 HydrophobicContact CB-CB 4Å; P26-E383 VanDerWaalsContact CB-O 3.26Å; P26-E383 WeakPolarHBondContact CB-O 3.45Å; P26-L385 HydrophobicContact CB-CD1 4.17Å
27L98.2Very high96.3Very high30 Ų3057 Ų5716%0.15727%0.271CS..  trans-106.4146174.3-62.7176.5000110.8F32 F48 L164 E383L27-F32 HydrophobicContact CB-CD2 4.13Å; L27-F32 HydrophobicContact CB-CE1 4.45Å; L27-F32 HydrophobicContact CB-CE2 3.59Å; L27-F32 HydrophobicContact CB-CZ 3.78Å; L27-F32 HydrophobicContact CD1-CD1 4.25Å; L27-F32 HydrophobicContact CD1-CE1 3.57Å; L27-F32 HydrophobicContact CD1-CE2 4.23Å; L27-F32 HydrophobicContact CD1-CZ 3.55Å; L27-F32 HydrophobicContact CG-CZ 4.27Å; L27-F48 HydrophobicContact CD1-CE1 3.79Å; L27-F48 HydrophobicContact CD1-CZ 3.8Å; L27-F48 HydrophobicContact CD2-CZ 4.31Å; L27-F48 HydrophobicContact CG-CZ 4.16Å; L27-L164 HydrophobicContact CD1-CD2 4.12Å; L27-E383 PolarHBondContact N-OE2 3.11Å; L27-E383 WeakPolarHBondContact O-CG 3.38Å; L27-E383 PolarHBondContact O-N 2.95Å
28S98.6Very high96Very high5 Ų559 Ų594%0.03528%0.284CS..BIsolated β-bridgetrans-83.5156.1167.456.80000111.9K30 Q31 F32 S381S28-K30 PolarHBondContact O-N 3.49Å; S28-Q31 PolarHBondContact O-N 3.25Å; S28-Q31 VanDerWaalsContact OG-CG 3.29Å; S28-Q31 WeakPolarHBondContact OG-CG 3.35Å; S28-Q31 PolarHBondContact OG-N 3.41Å; S28-Q31 VanDerWaalsContact OG-N 3.1Å; S28-Q31 PolarHBondContact OG-OE1 3.49Å; S28-F32 VanDerWaalsContact O-CD2 3.3Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.08Å; S28-S381 CarbonylContact C-O 3.53Å; S28-S381 VanDerWaalsContact CA-O 3.26Å; S28-S381 WeakPolarHBondContact CA-O 3.22Å
29I98.4Very high95.6Very high0 Ų059.2 Ų59.20%029%0.292CS..Hα-helixtrans-53.8-39.9167.9-64.6-177.8000110.1Q31 F32 L33 I187 V251 Y252 F354 S381I29-Q31 PolarHBondContact O-N 2.97Å; I29-F32 PolarHBondContact O-N 3.01Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 PolarHBondContact O-N 3.3Å; I29-I187 HydrophobicContact CG2-CD1 4.32Å; I29-I187 HydrophobicContact CG2-CG2 4.17Å; I29-V251 HydrophobicContact CG2-CB 4.41Å; I29-V251 HydrophobicContact CG2-CG1 3.53Å; I29-Y252 HydrophobicContact CD1-CD2 3.7Å; I29-Y252 HydrophobicContact CD1-CE2 3.95Å; I29-F354 HydrophobicContact CD1-CB 4.32Å; I29-F354 HydrophobicContact CD1-CD1 4.19Å; I29-F354 HydrophobicContact CD1-CD2 3.8Å; I29-F354 HydrophobicContact CD1-CE1 4.43Å; I29-F354 HydrophobicContact CD1-CE2 4.04Å; I29-F354 HydrophobicContact CD1-CG 3.87Å; I29-F354 HydrophobicContact CD1-CZ 4.35Å; I29-F354 HydrophobicContact CG1-CD1 3.78Å; I29-F354 HydrophobicContact CG1-CD2 4.11Å; I29-F354 HydrophobicContact CG1-CE1 3.68Å; I29-F354 HydrophobicContact CG1-CE2 4.01Å; I29-F354 HydrophobicContact CG1-CG 4Å; I29-F354 HydrophobicContact CG1-CZ 3.8Å; I29-S381 VanDerWaalsContact CD1-CB 3.49Å; I29-S381 PolarHBondContact N-O 3.28Å
30K98.1Very high95.2Very high83 Ų8361.1 Ų61.136%0.36131%0.309SS..Hα-helixtrans-56.9-47.2174176.7166.8173.549.80112.4S28 F32 L33 D34 S378S28-K30 PolarHBondContact O-N 3.49Å; K30-F32 PolarHBondContact O-N 3.33Å; K30-L33 PolarHBondContact O-N 3.04Å; K30-D34 VanDerWaalsContact CE-OD2 3.31Å; K30-D34 WeakPolarHBondContact CE-OD2 3.06Å; K30-D34 VanDerWaalsContact CG-OD2 3.31Å; K30-D34 WeakPolarHBondContact CG-OD2 3.27Å; K30-D34 VanDerWaalsContact NZ-CG 3.28Å; K30-D34 IonicContact NZ-OD1 2.7Å; K30-D34 PolarHBondContact NZ-OD1 2.96Å; K30-D34 IonicContact NZ-OD2 3.75Å; K30-D34 PolarHBondContact NZ-OD2 2.9Å; K30-D34 WeakPolarHBondContact O-CB 3.45Å; K30-D34 PolarHBondContact O-N 3.36Å; K30-S378 WeakPolarHBondContact CB-O 3.46Å; K30-S378 PolarHBondContact N-O 3.3Å
31Q98.2Very high95.1Very high90 Ų9063 Ų6342%0.42132%0.322SS..Hα-helixtrans-63.6-39.6178.1-75.7167-64.900112.6S28 I29 L33 F35S28-Q31 PolarHBondContact O-N 3.25Å; S28-Q31 VanDerWaalsContact OG-CG 3.29Å; S28-Q31 WeakPolarHBondContact OG-CG 3.35Å; S28-Q31 PolarHBondContact OG-N 3.41Å; S28-Q31 VanDerWaalsContact OG-N 3.1Å; S28-Q31 PolarHBondContact OG-OE1 3.49Å; I29-Q31 PolarHBondContact O-N 2.97Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-F35 WeakPolarHBondContact O-CB 3.42Å; Q31-F35 PolarHBondContact O-N 3.05Å
32F97.9Very high95.2Very high12 Ų1257.2 Ų57.25%0.05330%0.303CS..Hα-helixtrans-61.9-43.4173.7-76.6-66.2000112L27 S28 I29 K30 G36 M163 L164 Q167 I187 E383L27-F32 HydrophobicContact CB-CD2 4.13Å; L27-F32 HydrophobicContact CB-CE1 4.45Å; L27-F32 HydrophobicContact CB-CE2 3.59Å; L27-F32 HydrophobicContact CB-CZ 3.78Å; L27-F32 HydrophobicContact CD1-CD1 4.25Å; L27-F32 HydrophobicContact CD1-CE1 3.57Å; L27-F32 HydrophobicContact CD1-CE2 4.23Å; L27-F32 HydrophobicContact CD1-CZ 3.55Å; L27-F32 HydrophobicContact CG-CZ 4.27Å; S28-F32 VanDerWaalsContact O-CD2 3.3Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.08Å; I29-F32 PolarHBondContact O-N 3.01Å; K30-F32 PolarHBondContact O-N 3.33Å; F32-G36 PolarHBondContact O-N 2.95Å; F32-M163 HydrophobicContact CD2-CE 4.31Å; F32-M163 HydrophobicContact CE2-CE 4.42Å; F32-M163 HydrophobicContact CE2-CG 4.42Å; F32-M163 HydrophobicContact CG-CE 4.44Å; F32-M163 HydrophobicContact CZ-CG 4.23Å; F32-L164 HydrophobicContact CE1-CD2 3.74Å; F32-L164 HydrophobicContact CZ-CD2 3.73Å; F32-Q167 HydrophobicContact CD1-CG 3.88Å; F32-Q167 HydrophobicContact CE1-CG 4.12Å; F32-I187 HydrophobicContact CB-CD1 3.34Å; F32-I187 HydrophobicContact CD2-CD1 4.48Å; F32-I187 HydrophobicContact CG-CD1 4.11Å; F32-E383 HydrophobicContact CE2-CG 4.38Å
33L96.1Very high95.2Very high19 Ų1956.4 Ų56.410%0.09930%0.299CS..Hα-helixtrans-67.3-52.6-179.3-17568.6000111.6I29 K30 Q31 F35 G36 R37 I184 I187 P189 V251I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 PolarHBondContact O-N 3.3Å; K30-L33 PolarHBondContact O-N 3.04Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.21Å; L33-G36 PolarHBondContact O-N 3.17Å; L33-R37 VanDerWaalsContact O-CB 3.22Å; L33-R37 WeakPolarHBondContact O-CB 3.3Å; L33-R37 PolarHBondContact O-N 3.18Å; L33-I184 HydrophobicContact CD1-CB 3.87Å; L33-I184 HydrophobicContact CD1-CG1 3.64Å; L33-I184 HydrophobicContact CD1-CG2 4.34Å; L33-I187 HydrophobicContact CD1-CG2 4.47Å; L33-P189 HydrophobicContact CD1-CB 4.24Å; L33-V251 HydrophobicContact CD2-CG1 4Å
34D96.3Very high95.2Very high56 Ų5655.5 Ų55.530%0.29929%0.29SS..Hα-helixtrans-58.6-41.3178.6-64.8-9.8000110.1K30 D38K30-D34 VanDerWaalsContact CE-OD2 3.31Å; K30-D34 WeakPolarHBondContact CE-OD2 3.06Å; K30-D34 VanDerWaalsContact CG-OD2 3.31Å; K30-D34 WeakPolarHBondContact CG-OD2 3.27Å; K30-D34 VanDerWaalsContact NZ-CG 3.28Å; K30-D34 IonicContact NZ-OD1 2.7Å; K30-D34 PolarHBondContact NZ-OD1 2.96Å; K30-D34 IonicContact NZ-OD2 3.75Å; K30-D34 PolarHBondContact NZ-OD2 2.9Å; K30-D34 WeakPolarHBondContact O-CB 3.45Å; K30-D34 PolarHBondContact O-N 3.36Å; D34-D38 WeakPolarHBondContact O-CB 3.35Å; D34-D38 PolarHBondContact O-N 3.1Å
35F95.9Very high95.2Very high47 Ų4755.6 Ų55.621%0.20629%0.291CS..Iπ-helixtrans-62.2-51.6175.9175.6-96.9000112Q31 L33 R37 N39 A40 C41 T44 L171 F172Q31-F35 WeakPolarHBondContact O-CB 3.42Å; Q31-F35 PolarHBondContact O-N 3.05Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.21Å; F35-R37 VanDerWaalsContact C-N 3.34Å; F35-R37 PolarHBondContact O-N 3.18Å; F35-N39 HydrophobicContact CD2-CB 4.3Å; F35-N39 PolarHBondContact O-N 3.11Å; F35-A40 PolarHBondContact O-N 3.45Å; F35-C41 WeakPolarHBondContact CZ-O 3.27Å; F35-T44 HydrophobicContact CE2-CG2 3.97Å; F35-L171 HydrophobicContact CD1-CD1 4.41Å; F35-L171 HydrophobicContact CE1-CD1 4.31Å; F35-F172 HydrophobicContact CE1-CE2 4.31Å; F35-F172 HydrophobicContact CE1-CZ 4.04Å; F35-F172 HydrophobicContact CZ-CZ 4.19Å
36G92.3Very high95.3Very high9 Ų953.2 Ų53.29%0.09327%0.274CS..Iπ-helixtrans-74.1-23.4-175.100000114.2F32 L33 I184F32-G36 PolarHBondContact O-N 2.95Å; L33-G36 PolarHBondContact O-N 3.17Å; G36-I184 VanDerWaalsContact CA-CG2 3.48Å
37R89.4Confident95.3Very high185 Ų18553.7 Ų53.770%0.69827%0.272SS*.Iπ-helixtrans-89.1-47.8179.6-170.6-174.5-175.2-179.11.1113.1L33 F35 I184L33-R37 VanDerWaalsContact O-CB 3.22Å; L33-R37 WeakPolarHBondContact O-CB 3.3Å; L33-R37 PolarHBondContact O-N 3.18Å; F35-R37 VanDerWaalsContact C-N 3.34Å; F35-R37 PolarHBondContact O-N 3.18Å; R37-I184 HydrophobicContact CB-CD1 4.47Å
38D85.7Confident95.3Very high120 Ų12055.4 Ų55.464%0.64228%0.278SS*.Iπ-helixtrans-104.3-28.4-165.7-56.8-33.2000113.2D34D34-D38 WeakPolarHBondContact O-CB 3.35Å; D34-D38 PolarHBondContact O-N 3.1Å
39N86.1Confident95.3Very high93 Ų9355.3 Ų55.350%0.49728%0.277SS..Iπ-helixtrans-106.5-48.5-177.2-168.91.7000112.2F35 C41F35-N39 HydrophobicContact CD2-CB 4.3Å; F35-N39 PolarHBondContact O-N 3.11Å; N39-C41 PolarHBondContact O-N 3.07Å; N39-C41 VanDerWaalsContact OD1-CB 3.29Å; N39-C41 WeakPolarHBondContact OD1-CB 3.3Å
40A87.6Confident95.2Very high48 Ų4856.3 Ų56.340%0.39728%0.281SS..  trans36.940.1-178.600000114F35 E42 F172F35-A40 PolarHBondContact O-N 3.45Å; A40-E42 PolarHBondContact O-N 3.29Å; A40-F172 WeakPolarHBondContact O-CE1 3.4Å
41C95.6Very high95.2Very high40 Ų4056.5 Ų56.527%0.2728%0.282SS..  trans-93.2106.2-174.1178.50000110.6F35 N39 K43 T44 S45F35-C41 WeakPolarHBondContact CZ-O 3.27Å; N39-C41 PolarHBondContact O-N 3.07Å; N39-C41 VanDerWaalsContact OD1-CB 3.29Å; N39-C41 WeakPolarHBondContact OD1-CB 3.3Å; C41-K43 VanDerWaalsContact C-N 3.31Å; C41-K43 PolarHBondContact O-N 2.96Å; C41-T44 WeakPolarHBondContact O-CB 3.45Å; C41-T44 PolarHBondContact O-N 3.06Å; C41-T44 PolarHBondContact SG-OG1 3.15Å; C41-T44 VanDerWaalsContact SG-OG1 3.33Å; C41-S45 PolarHBondContact O-N 3.07Å; C41-S45 VanDerWaalsContact O-N 3.08Å
42E96.9Very high95.2Very high56 Ų5652.6 Ų52.626%0.26226%0.264SS..Hα-helixtrans-55.2-43.9-178.9-172.1179.8-169.100112.5A40 T44 S45 Y46 L105 F172A40-E42 PolarHBondContact O-N 3.29Å; E42-T44 VanDerWaalsContact C-N 3.27Å; E42-T44 PolarHBondContact O-N 2.81Å; E42-S45 WeakPolarHBondContact O-CB 3.45Å; E42-S45 PolarHBondContact O-N 3.4Å; E42-S45 VanDerWaalsContact O-N 3.11Å; E42-Y46 WeakPolarHBondContact O-CB 3.26Å; E42-Y46 PolarHBondContact O-N 2.86Å; E42-L105 HydrophobicContact CG-CD1 4.31Å; E42-F172 HydrophobicContact CB-CD1 3.7Å; E42-F172 HydrophobicContact CB-CD2 4.41Å; E42-F172 HydrophobicContact CB-CE1 3.84Å; E42-F172 HydrophobicContact CB-CG 4.01Å; E42-F172 HydrophobicContact CB-CZ 4.26Å; E42-F172 HydrophobicContact CG-CB 4.13Å; E42-F172 HydrophobicContact CG-CD1 4.02Å; E42-F172 HydrophobicContact CG-CD2 4.11Å; E42-F172 HydrophobicContact CG-CG 3.8Å
43K97.4Very high95.2Very high78 Ų7852 Ų5234%0.33926%0.261SS..Hα-helixtrans-56-42.1176.4-65.1-176.4-179.4179.40111.7C41 M47 P99 E100 L105C41-K43 VanDerWaalsContact C-N 3.31Å; C41-K43 PolarHBondContact O-N 2.96Å; K43-M47 WeakPolarHBondContact O-CB 3.48Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.64Å; K43-P99 HydrophobicContact CB-CB 4.19Å; K43-P99 WeakPolarHBondContact CE-O 3.34Å; K43-P99 HydrophobicContact CG-CB 4.19Å; K43-E100 IonicContact NZ-OE1 3.46Å; K43-E100 IonicContact NZ-OE2 3.75Å; K43-E100 PolarHBondContact NZ-OE2 3.41Å; K43-L105 HydrophobicContact CG-CD1 4.11Å
44T97.1Very high95.3Very high67 Ų6751.1 Ų51.141%0.41126%0.256SS..Hα-helixtrans-66.7-44.4178.4-59.70000110.9F35 C41 E42 M47 F48F35-T44 HydrophobicContact CE2-CG2 3.97Å; C41-T44 WeakPolarHBondContact O-CB 3.45Å; C41-T44 PolarHBondContact O-N 3.06Å; C41-T44 PolarHBondContact SG-OG1 3.15Å; C41-T44 VanDerWaalsContact SG-OG1 3.33Å; E42-T44 VanDerWaalsContact C-N 3.27Å; E42-T44 PolarHBondContact O-N 2.81Å; T44-M47 PolarHBondContact O-N 2.92Å; T44-F48 PolarHBondContact O-N 3.41Å; T44-F48 VanDerWaalsContact O-N 3.1Å
45S98.1Very high95.5Very high14 Ų1448.9 Ų48.910%0.09825%0.245CC..Hα-helixtrans-60.3-47.7176.1-167.50000111.8C41 E42 M47 F48 L49 H168C41-S45 PolarHBondContact O-N 3.07Å; C41-S45 VanDerWaalsContact O-N 3.08Å; E42-S45 WeakPolarHBondContact O-CB 3.45Å; E42-S45 PolarHBondContact O-N 3.4Å; E42-S45 VanDerWaalsContact O-N 3.11Å; S45-M47 PolarHBondContact O-N 3.19Å; S45-F48 PolarHBondContact O-N 3.09Å; S45-L49 WeakPolarHBondContact O-CB 3.3Å; S45-L49 VanDerWaalsContact O-CG 3.3Å; S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 2.93Å; S45-H168 WeakPolarHBondContact CB-ND1 3.31Å; S45-H168 PolarHBondContact OG-ND1 3.11Å
46Y98.5Very high95.6Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-56.3-48.4175.2163.9-98.8000112.2E42 F48 L49 R50 Y94 K97 P99 V104 L105 F108E42-Y46 WeakPolarHBondContact O-CB 3.26Å; E42-Y46 PolarHBondContact O-N 2.86Å; Y46-F48 VanDerWaalsContact C-N 3.26Å; Y46-F48 PolarHBondContact O-N 3.01Å; Y46-L49 PolarHBondContact O-N 2.92Å; Y46-R50 HydrophobicContact CE2-CB 4.36Å; Y46-R50 VanDerWaalsContact CZ-CD 3.46Å; Y46-R50 WeakPolarHBondContact O-CB 3.29Å; Y46-R50 VanDerWaalsContact O-CG 3.29Å; Y46-R50 WeakPolarHBondContact O-CG 3.36Å; Y46-R50 PolarHBondContact O-N 3.27Å; Y46-R50 PolarHBondContact OH-NH1 2.87Å; Y46-Y94 AromaticContact CE2-CD1 3.96Å; Y46-Y94 HydrophobicContact CE2-CD1 3.96Å; Y46-Y94 HydrophobicContact CE2-CG 4.43Å; Y46-Y94 PolarHBondContact OH-O 2.87Å; Y46-K97 PolarHBondContact OH-O 2.93Å; Y46-P99 HydrophobicContact CD1-CB 3.76Å; Y46-P99 HydrophobicContact CE1-CB 3.9Å; Y46-V104 HydrophobicContact CE2-CG1 4.07Å; Y46-L105 HydrophobicContact CD1-CD2 3.97Å; Y46-L105 HydrophobicContact CD2-CD2 4.08Å; Y46-L105 HydrophobicContact CG-CD2 3.63Å; Y46-F108 HydrophobicContact CD2-CB 3.98Å; Y46-F108 AromaticContact CD2-CD1 3.57Å; Y46-F108 HydrophobicContact CD2-CD1 3.57Å; Y46-F108 HydrophobicContact CD2-CD2 4.02Å; Y46-F108 AromaticContact CD2-CE1 3.94Å; Y46-F108 HydrophobicContact CD2-CE1 3.94Å; Y46-F108 HydrophobicContact CD2-CE2 4.37Å; Y46-F108 AromaticContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CZ 4.32Å; Y46-F108 HydrophobicContact CE2-CB 4.05Å; Y46-F108 HydrophobicContact CE2-CD1 4.27Å; Y46-F108 AromaticContact CE2-CD2 3.89Å; Y46-F108 HydrophobicContact CE2-CD2 3.89Å; Y46-F108 HydrophobicContact CE2-CE2 4.37Å; Y46-F108 AromaticContact CE2-CG 3.81Å; Y46-F108 HydrophobicContact CE2-CG 3.81Å
47M98.1Very high95.9Very high76 Ų7646.3 Ų46.337%0.37423%0.231SC..Hα-helixtrans-61.3-36-178.7-73.5-66-69.900112.5K43 T44 S45 R50 P99K43-M47 WeakPolarHBondContact O-CB 3.48Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.64Å; T44-M47 PolarHBondContact O-N 2.92Å; S45-M47 PolarHBondContact O-N 3.19Å; M47-R50 PolarHBondContact SD-NH2 3.28Å; M47-P99 HydrophobicContact CG-CB 4.4Å; M47-P99 HydrophobicContact CG-CG 4.34Å; M47-P99 HydrophobicContact SD-CB 4.27Å; M47-P99 HydrophobicContact SD-CG 3.85Å
48F98.3Very high96.3Very high65 Ų6537.5 Ų37.529%0.28520%0.198SC..Hα-helixtrans-71.8-55.9174177.6-102.3000111.5L27 T44 S45 Y46 R50 K51 E52 L164L27-F48 HydrophobicContact CD1-CE1 3.79Å; L27-F48 HydrophobicContact CD1-CZ 3.8Å; L27-F48 HydrophobicContact CD2-CZ 4.31Å; L27-F48 HydrophobicContact CG-CZ 4.16Å; T44-F48 PolarHBondContact O-N 3.41Å; T44-F48 VanDerWaalsContact O-N 3.1Å; S45-F48 PolarHBondContact O-N 3.09Å; Y46-F48 VanDerWaalsContact C-N 3.26Å; Y46-F48 PolarHBondContact O-N 3.01Å; F48-R50 PolarHBondContact O-N 3.25Å; F48-K51 PolarHBondContact O-N 3.26Å; F48-K51 VanDerWaalsContact O-N 3.15Å; F48-E52 HydrophobicContact CD1-CB 4.31Å; F48-E52 HydrophobicContact CE1-CB 3.94Å; F48-E52 HydrophobicContact CE1-CG 3.88Å; F48-E52 HydrophobicContact CE2-CB 4.3Å; F48-E52 HydrophobicContact CE2-CG 4.36Å; F48-E52 HydrophobicContact CZ-CB 3.94Å; F48-E52 HydrophobicContact CZ-CG 3.67Å; F48-E52 WeakPolarHBondContact O-CB 3.38Å; F48-E52 PolarHBondContact O-N 3.28Å; F48-L164 HydrophobicContact CE1-CD1 4.47Å; F48-L164 HydrophobicContact CE1-CD2 4.08Å
49L98.4Very high96.9Very high3 Ų331.9 Ų31.92%0.01617%0.168CC..Hα-helixtrans-66.7-36.6-170.7-68.9179.1000113.9S45 Y46 K51 E52 L53 F108 L112 L164 H168S45-L49 WeakPolarHBondContact O-CB 3.3Å; S45-L49 VanDerWaalsContact O-CG 3.3Å; S45-L49 WeakPolarHBondContact O-CG 3.41Å; S45-L49 PolarHBondContact O-N 2.93Å; Y46-L49 PolarHBondContact O-N 2.92Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-K51 VanDerWaalsContact O-N 3.07Å; L49-E52 PolarHBondContact O-N 3.12Å; L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CB-CG 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.48Å; L49-L53 HydrophobicContact CD2-CG 4.28Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.35Å; L49-F108 HydrophobicContact CB-CE1 4.1Å; L49-F108 HydrophobicContact CB-CZ 3.97Å; L49-L112 HydrophobicContact CD1-CD1 4.23Å; L49-L164 HydrophobicContact CD2-CB 3.73Å; L49-L164 HydrophobicContact CD2-CD1 3.86Å; L49-L164 HydrophobicContact CD2-CD2 4.07Å; L49-L164 HydrophobicContact CD2-CG 4.11Å; L49-H168 HydrophobicContact CD1-CB 3.56Å
50R97.8Very high97.4Very high21 Ų2127.6 Ų27.68%0.07915%0.145CC..Hα-helixtrans-61.7-18.6177.977.1-170.9-172.4154.6-2113.2Y46 M47 F48 P54 Y94 K97 F108Y46-R50 HydrophobicContact CE2-CB 4.36Å; Y46-R50 VanDerWaalsContact CZ-CD 3.46Å; Y46-R50 WeakPolarHBondContact O-CB 3.29Å; Y46-R50 VanDerWaalsContact O-CG 3.29Å; Y46-R50 WeakPolarHBondContact O-CG 3.36Å; Y46-R50 PolarHBondContact O-N 3.27Å; Y46-R50 PolarHBondContact OH-NH1 2.87Å; M47-R50 PolarHBondContact SD-NH2 3.28Å; F48-R50 PolarHBondContact O-N 3.25Å; R50-P54 WeakPolarHBondContact O-CD 3.22Å; R50-P54 WeakPolarHBondContact O-CG 3.46Å; R50-Y94 PolarHBondContact NH1-O 3.36Å; R50-K97 PolarHBondContact NH1-O 2.98Å; R50-F108 HydrophobicContact CB-CE2 4.06Å; R50-F108 HydrophobicContact CB-CZ 4.2Å
51K97.3Very high97.9Very high87 Ų8726 Ų2638%0.37813%0.129SC..Hα-helixtrans-101.7-48175.1-68.8-174.3176.2-60.20112F48 L49 P54 V55 E95F48-K51 PolarHBondContact O-N 3.26Å; F48-K51 VanDerWaalsContact O-N 3.15Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-K51 VanDerWaalsContact O-N 3.07Å; K51-P54 WeakPolarHBondContact O-CD 3.34Å; K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 3.35Å; K51-E95 IonicContact NZ-OE1 2.77Å; K51-E95 PolarHBondContact NZ-OE1 2.77Å; K51-E95 IonicContact NZ-OE2 3.28Å; K51-E95 PolarHBondContact NZ-OE2 3.16Å
52E98.6Very high97.9Very high8 Ų827.4 Ų27.44%0.03713%0.129CC..Hα-helixtrans-66.1-41.3-173.8-174.961.9-157.100112.2S25 F48 L49 V55 R56 L164S25-E52 VanDerWaalsContact CB-OE2 3.3Å; S25-E52 WeakPolarHBondContact CB-OE2 3.15Å; S25-E52 PolarHBondContact N-OE1 3.5Å; S25-E52 PolarHBondContact N-OE2 2.88Å; S25-E52 PolarHBondContact OG-OE2 2.82Å; F48-E52 HydrophobicContact CD1-CB 4.31Å; F48-E52 HydrophobicContact CE1-CB 3.94Å; F48-E52 HydrophobicContact CE1-CG 3.88Å; F48-E52 HydrophobicContact CE2-CB 4.3Å; F48-E52 HydrophobicContact CE2-CG 4.36Å; F48-E52 HydrophobicContact CZ-CB 3.94Å; F48-E52 HydrophobicContact CZ-CG 3.67Å; F48-E52 WeakPolarHBondContact O-CB 3.38Å; F48-E52 PolarHBondContact O-N 3.28Å; L49-E52 PolarHBondContact O-N 3.12Å; E52-V55 WeakPolarHBondContact O-CB 3.48Å; E52-V55 PolarHBondContact O-N 3.35Å; E52-R56 HydrophobicContact CG-CG 4.48Å; E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 2.81Å; E52-R56 IonicContact OE1-CZ 2.66Å; E52-R56 IonicContact OE1-NE 2.86Å; E52-R56 PolarHBondContact OE1-NE 2.86Å; E52-R56 IonicContact OE1-NH2 3.72Å; E52-R56 PolarHBondContact OE1-NH2 2.94Å; E52-L164 HydrophobicContact CG-CD1 3.92Å
53L98.4Very high97.9Very high0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-63.6-47.6-179.6-64.4173.5000112L49 V55 R56 L57 L91 L112 F161 L164 I165L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CB-CG 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.48Å; L49-L53 HydrophobicContact CD2-CG 4.28Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.35Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 2.86Å; L53-R56 PolarHBondContact O-N 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 3.4Å; L53-L91 HydrophobicContact CB-CD1 3.74Å; L53-L91 HydrophobicContact CD1-CD1 4.35Å; L53-L91 HydrophobicContact CD1-CD2 4.16Å; L53-L112 HydrophobicContact CD1-CD2 3.53Å; L53-F161 HydrophobicContact CB-CE2 3.82Å; L53-F161 HydrophobicContact CD2-CD2 3.52Å; L53-F161 HydrophobicContact CD2-CE2 3.5Å; L53-F161 HydrophobicContact CD2-CG 4.26Å; L53-F161 HydrophobicContact CD2-CZ 4.24Å; L53-F161 HydrophobicContact CG-CE2 4.16Å; L53-L164 HydrophobicContact CD2-CB 4.04Å; L53-L164 HydrophobicContact CD2-CD1 3.81Å; L53-I165 HydrophobicContact CD1-CG1 4.26Å; L53-I165 HydrophobicContact CD2-CG1 4.39Å
54P98.4Very high97.8Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-58.4-36.9170.5-29.737000114.9Y19 R50 K51 A58 F88 L91 L92Y19-P54 HydrophobicContact CD1-CB 3.69Å; Y19-P54 HydrophobicContact CE1-CB 3.67Å; Y19-P54 HydrophobicContact CG-CB 4.43Å; R50-P54 WeakPolarHBondContact O-CD 3.22Å; R50-P54 WeakPolarHBondContact O-CG 3.46Å; K51-P54 WeakPolarHBondContact O-CD 3.34Å; P54-A58 VanDerWaalsContact O-CB 3.26Å; P54-A58 WeakPolarHBondContact O-CB 3.28Å; P54-A58 PolarHBondContact O-N 3.41Å; P54-F88 HydrophobicContact CB-CD2 4Å; P54-F88 HydrophobicContact CB-CE2 3.79Å; P54-L91 HydrophobicContact CG-CB 3.93Å; P54-L92 HydrophobicContact CB-CD1 4.15Å; P54-L92 HydrophobicContact CG-CD1 4.34Å
55V98.5Very high97.6Very high10 Ų1022.6 Ų22.66%0.06111%0.107CC..Hα-helixtrans-61.7-50.8176169.90000110.4Y19 F22 P24 K51 E52 L53 A58 N59Y19-V55 HydrophobicContact CD1-CG2 3.81Å; Y19-V55 HydrophobicContact CE1-CG2 4.44Å; F22-V55 HydrophobicContact CB-CG1 3.91Å; F22-V55 HydrophobicContact CB-CG2 3.81Å; F22-V55 HydrophobicContact CD2-CG2 3.95Å; F22-V55 HydrophobicContact CG-CG2 4.31Å; P24-V55 HydrophobicContact CG-CG1 4.4Å; K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 3.35Å; E52-V55 WeakPolarHBondContact O-CB 3.48Å; E52-V55 PolarHBondContact O-N 3.35Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 2.86Å; V55-A58 PolarHBondContact O-N 3.12Å; V55-N59 PolarHBondContact O-N 3.08Å; V55-N59 PolarHBondContact O-ND2 3.47Å
56R98.6Very high97.4Very high0 Ų023.5 Ų23.50%011%0.11CC..Hα-helixtrans-61.1-46.4179.1-68.8-173.7-171.3-163.64.2111.3P24 S25 E52 L53 N59 T60 N157 S160 L164 E383P24-R56 HydrophobicContact CB-CG 4.31Å; S25-R56 PolarHBondContact O-NH2 3.23Å; S25-R56 VanDerWaalsContact O-NH2 3.1Å; E52-R56 HydrophobicContact CG-CG 4.48Å; E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 2.81Å; E52-R56 IonicContact OE1-CZ 2.66Å; E52-R56 IonicContact OE1-NE 2.86Å; E52-R56 PolarHBondContact OE1-NE 2.86Å; E52-R56 IonicContact OE1-NH2 3.72Å; E52-R56 PolarHBondContact OE1-NH2 2.94Å; L53-R56 PolarHBondContact O-N 3.35Å; R56-N59 PolarHBondContact O-N 2.92Å; R56-T60 PolarHBondContact O-N 3.23Å; R56-N157 PolarHBondContact O-ND2 3.11Å; R56-S160 PolarHBondContact NH1-OG 3.1Å; R56-L164 VanDerWaalsContact CZ-CD1 3.41Å; R56-E383 IonicContact CZ-OE1 2.69Å; R56-E383 IonicContact CZ-OE2 3.47Å; R56-E383 IonicContact NH1-OE1 3.37Å; R56-E383 PolarHBondContact NH1-OE1 3.08Å; R56-E383 IonicContact NH1-OE2 3.41Å; R56-E383 IonicContact NH2-OE1 2.71Å; R56-E383 PolarHBondContact NH2-OE1 2.9Å; R56-E383 IonicContact NH2-OE2 3.46Å; R56-E383 PolarHBondContact NH2-OE2 3.28Å
57L98.1Very high97.2Very high2 Ų223.8 Ų23.81%0.0111%0.111CC..Hα-helixtrans-59.5-48.8177.3-72.4171.2000111.8L53 N59 T60 M61 Y84 F88 L91 F161L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 3.4Å; L57-N59 PolarHBondContact O-N 3.13Å; L57-T60 PolarHBondContact O-N 2.96Å; L57-M61 WeakPolarHBondContact O-CB 3.41Å; L57-M61 VanDerWaalsContact O-CG 3.22Å; L57-M61 WeakPolarHBondContact O-CG 3.34Å; L57-M61 PolarHBondContact O-N 3.05Å; L57-Y84 HydrophobicContact CD2-CD1 3.53Å; L57-Y84 HydrophobicContact CD2-CE1 3.83Å; L57-Y84 HydrophobicContact CD2-CG 4.23Å; L57-F88 HydrophobicContact CB-CD2 4.32Å; L57-F88 HydrophobicContact CD1-CB 4.23Å; L57-L91 HydrophobicContact CD1-CD1 3.79Å; L57-F161 HydrophobicContact CD1-CE2 3.84Å; L57-F161 HydrophobicContact CD1-CZ 4.06Å; L57-F161 HydrophobicContact CD2-CD2 4.32Å; L57-F161 HydrophobicContact CD2-CE2 3.83Å; L57-F161 HydrophobicContact CD2-CZ 4.11Å; L57-F161 HydrophobicContact CG-CD2 4.32Å; L57-F161 HydrophobicContact CG-CE2 3.65Å; L57-F161 HydrophobicContact CG-CZ 4.22Å
58A98Very high97Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-64.4-38.8-177.500000112.7I16 Y19 P54 V55 M61 R62 F88I16-A58 HydrophobicContact CG2-CB 4.36Å; Y19-A58 VanDerWaalsContact CB-CB 3.48Å; P54-A58 VanDerWaalsContact O-CB 3.26Å; P54-A58 WeakPolarHBondContact O-CB 3.28Å; P54-A58 PolarHBondContact O-N 3.41Å; V55-A58 PolarHBondContact O-N 3.12Å; A58-M61 PolarHBondContact O-N 3.17Å; A58-R62 WeakPolarHBondContact O-CG 3.42Å; A58-R62 PolarHBondContact O-N 3.12Å; A58-R62 VanDerWaalsContact O-N 3.09Å; A58-F88 HydrophobicContact CB-CE2 4.03Å
59N98.2Very high96.7Very high1 Ų124.6 Ų24.61%0.00512%0.123CC..Hα-helixtrans-57.2-49.8174.4-87.3-98.2000110.6F22 V55 R56 L57 R62 E63 F388F22-N59 PolarHBondContact O-ND2 2.7Å; V55-N59 PolarHBondContact O-N 3.08Å; V55-N59 PolarHBondContact O-ND2 3.47Å; R56-N59 PolarHBondContact O-N 2.92Å; L57-N59 PolarHBondContact O-N 3.13Å; N59-R62 PolarHBondContact O-N 3.36Å; N59-E63 PolarHBondContact O-N 3.05Å; N59-F388 HydrophobicContact CB-CB 4.13Å; N59-F388 VanDerWaalsContact OD1-CB 3.31Å; N59-F388 WeakPolarHBondContact OD1-CB 3.4Å; N59-F388 PolarHBondContact OD1-N 3.13Å
60T97.7Very high96.4Very high4 Ų428.1 Ų28.13%0.02514%0.141CC..Hα-helixtrans-64.8-45.9177-680000112.8R56 L57 R62 E63 V64 Y84 F154 N157R56-T60 PolarHBondContact O-N 3.23Å; L57-T60 PolarHBondContact O-N 2.96Å; T60-R62 PolarHBondContact O-N 3.14Å; T60-E63 PolarHBondContact O-N 3.13Å; T60-V64 HydrophobicContact CG2-CG2 4.16Å; T60-V64 WeakPolarHBondContact O-CG2 3.5Å; T60-V64 PolarHBondContact O-N 3.28Å; T60-Y84 HydrophobicContact CG2-CD1 4.35Å; T60-Y84 HydrophobicContact CG2-CE1 3.77Å; T60-F154 HydrophobicContact CG2-CD2 3.4Å; T60-F154 HydrophobicContact CG2-CE2 3.84Å; T60-F154 HydrophobicContact CG2-CG 4.47Å; T60-N157 WeakPolarHBondContact OG1-CB 3.22Å; T60-N157 PolarHBondContact OG1-ND2 3.03Å
61M96.9Very high96.2Very high13 Ų1327.1 Ų27.16%0.06414%0.138CC..Hα-helixtrans-58.2-33.8-179.7-70.8170.876.100112.3I16 L57 A58 N65 Y84 M85 F88I16-M61 HydrophobicContact CD1-CE 3.58Å; I16-M61 HydrophobicContact CG1-CE 4.24Å; I16-M61 HydrophobicContact CG2-CB 4.42Å; L57-M61 WeakPolarHBondContact O-CB 3.41Å; L57-M61 VanDerWaalsContact O-CG 3.22Å; L57-M61 WeakPolarHBondContact O-CG 3.34Å; L57-M61 PolarHBondContact O-N 3.05Å; A58-M61 PolarHBondContact O-N 3.17Å; M61-N65 VanDerWaalsContact O-CG 3.28Å; M61-N65 PolarHBondContact O-N 3.12Å; M61-N65 PolarHBondContact O-OD1 3.21Å; M61-Y84 HydrophobicContact CG-CD1 4.13Å; M61-Y84 HydrophobicContact CG-CG 4.45Å; M61-M85 HydrophobicContact CE-CB 3.98Å; M61-M85 HydrophobicContact CE-CE 3.62Å; M61-M85 HydrophobicContact CE-SD 3.83Å; M61-F88 HydrophobicContact SD-CB 4.24Å
62R96.4Very high96Very high71 Ų7124.2 Ų24.227%0.26813%0.126SC..Hα-helixtrans-66.3-38174.2-73.2-58.2-64.7-97.79.2113.2I16 S20 A58 N59 T60 L66 F388I16-R62 HydrophobicContact CG2-CG 4.22Å; S20-R62 VanDerWaalsContact OG-CG 3.26Å; S20-R62 WeakPolarHBondContact OG-CG 3.29Å; S20-R62 PolarHBondContact OG-NH1 3.07Å; A58-R62 WeakPolarHBondContact O-CG 3.42Å; A58-R62 PolarHBondContact O-N 3.12Å; A58-R62 VanDerWaalsContact O-N 3.09Å; N59-R62 PolarHBondContact O-N 3.36Å; T60-R62 PolarHBondContact O-N 3.14Å; R62-L66 WeakPolarHBondContact O-CG 3.42Å; R62-F388 HydrophobicContact CB-CD1 3.72Å; R62-F388 HydrophobicContact CB-CD2 3.98Å; R62-F388 HydrophobicContact CB-CE1 3.73Å; R62-F388 HydrophobicContact CB-CE2 4Å; R62-F388 HydrophobicContact CB-CG 3.84Å; R62-F388 HydrophobicContact CB-CZ 3.87Å; R62-F388 HydrophobicContact CG-CD1 3.96Å; R62-F388 HydrophobicContact CG-CE1 3.91Å; R62-F388 HydrophobicContact CG-CZ 4.44Å
63E97.1Very high95.8Very high4 Ų429.2 Ų29.22%0.01915%0.153CC..Hα-helixtrans-73-38.6178.1-67.9-173.1-124.800112N59 T60 N65 L66 F150 R153 F388 Y396N59-E63 PolarHBondContact O-N 3.05Å; T60-E63 PolarHBondContact O-N 3.13Å; E63-N65 PolarHBondContact O-N 3.18Å; E63-L66 WeakPolarHBondContact O-CB 3.32Å; E63-L66 PolarHBondContact O-N 3.28Å; E63-F150 HydrophobicContact CB-CD2 4.38Å; E63-R153 IonicContact OE1-CZ 3.23Å; E63-R153 IonicContact OE1-NE 2.8Å; E63-R153 PolarHBondContact OE1-NE 3.17Å; E63-R153 IonicContact OE1-NH2 3.55Å; E63-R153 PolarHBondContact OE1-NH2 3.31Å; E63-R153 IonicContact OE2-CZ 3.44Å; E63-R153 IonicContact OE2-NE 3.45Å; E63-R153 PolarHBondContact OE2-NE 2.99Å; E63-R153 IonicContact OE2-NH2 2.74Å; E63-R153 PolarHBondContact OE2-NH2 3.43Å; E63-F388 HydrophobicContact CG-CB 4.46Å; E63-F388 HydrophobicContact CG-CD2 3.58Å; E63-F388 HydrophobicContact CG-CE2 4.31Å; E63-F388 HydrophobicContact CG-CG 4.41Å; E63-Y396 HydrophobicContact CB-CE2 4.05Å; E63-Y396 HydrophobicContact CG-CE2 3.93Å; E63-Y396 PolarHBondContact OE2-OH 3.04Å
64V94.7Very high95.6Very high6 Ų630.3 Ų30.34%0.03616%0.157CC..Hα-helixtrans-54.9-45.7173-179.20000110T60 L66 L67 L72 V77 Q81 F150 F154T60-V64 HydrophobicContact CG2-CG2 4.16Å; T60-V64 WeakPolarHBondContact O-CG2 3.5Å; T60-V64 PolarHBondContact O-N 3.28Å; V64-L66 PolarHBondContact O-N 3.45Å; V64-L67 HydrophobicContact CG1-CD1 4.31Å; V64-L67 VanDerWaalsContact O-CB 3.28Å; V64-L67 WeakPolarHBondContact O-CB 3.38Å; V64-L67 WeakPolarHBondContact O-CG 3.32Å; V64-L67 PolarHBondContact O-N 2.86Å; V64-L72 HydrophobicContact CG1-CD2 3.99Å; V64-L72 VanDerWaalsContact O-CD2 3.25Å; V64-L72 WeakPolarHBondContact O-CD2 3.35Å; V64-V77 HydrophobicContact CG1-CG1 4.38Å; V64-Q81 HydrophobicContact CG1-CG 3.6Å; V64-F150 HydrophobicContact CB-CE2 4.2Å; V64-F150 HydrophobicContact CB-CZ 4.48Å; V64-F150 HydrophobicContact CG2-CE2 3.56Å; V64-F150 HydrophobicContact CG2-CZ 3.69Å; V64-F154 HydrophobicContact CG2-CD2 4.35Å; V64-F154 HydrophobicContact CG2-CE2 4.43Å
65N93.4Very high95.5Very high90 Ų9035 Ų3548%0.48119%0.188SC..THydrogen-bonded Turntrans-68-3.2179.5-67.3-6000114.6M61 E63 Q81M61-N65 VanDerWaalsContact O-CG 3.28Å; M61-N65 PolarHBondContact O-N 3.12Å; M61-N65 PolarHBondContact O-OD1 3.21Å; E63-N65 PolarHBondContact O-N 3.18Å; N65-Q81 PolarHBondContact OD1-NE2 3.13Å
66L94.7Very high95.3Very high32 Ų3235.3 Ų35.317%0.16819%0.19CC..THydrogen-bonded Turntrans-102.1-2.7173.8-64.1175.2000113R62 E63 V64 F388 W393 Y396R62-L66 WeakPolarHBondContact O-CG 3.42Å; E63-L66 WeakPolarHBondContact O-CB 3.32Å; E63-L66 PolarHBondContact O-N 3.28Å; V64-L66 PolarHBondContact O-N 3.45Å; L66-F388 HydrophobicContact CD1-CE2 3.72Å; L66-F388 HydrophobicContact CD1-CZ 4.34Å; L66-W393 HydrophobicContact CD1-CG 4.48Å; L66-Y396 HydrophobicContact CB-CD1 4.05Å; L66-Y396 HydrophobicContact CB-CD2 3.99Å; L66-Y396 HydrophobicContact CB-CG 3.67Å; L66-Y396 HydrophobicContact CD1-CD2 3.64Å; L66-Y396 HydrophobicContact CD1-CE2 4.35Å; L66-Y396 HydrophobicContact CD1-CG 4.09Å; L66-Y396 HydrophobicContact CG-CD2 4.49Å
67L94.2Very high95.2Very high6 Ų635.3 Ų35.33%0.03119%0.19CC..SBendtrans-63155.9172.4-69.8175.5000111.1V64 D69 L71 L72 M126 F150 Y396V64-L67 HydrophobicContact CG1-CD1 4.31Å; V64-L67 VanDerWaalsContact O-CB 3.28Å; V64-L67 WeakPolarHBondContact O-CB 3.38Å; V64-L67 WeakPolarHBondContact O-CG 3.32Å; V64-L67 PolarHBondContact O-N 2.86Å; L67-D69 PolarHBondContact O-N 3.49Å; L67-L71 HydrophobicContact CB-CD2 4.39Å; L67-L71 HydrophobicContact CD1-CD2 3.97Å; L67-L71 HydrophobicContact CD1-CG 4.47Å; L67-L71 HydrophobicContact CD2-CD2 4.15Å; L67-L71 HydrophobicContact CG-CD2 4.41Å; L67-L72 HydrophobicContact CB-CD2 4.25Å; L67-L72 HydrophobicContact CB-CG 4Å; L67-L72 WeakPolarHBondContact O-CD1 3.26Å; L67-M126 HydrophobicContact CD1-CE 4.34Å; L67-F150 HydrophobicContact CD1-CD1 3.97Å; L67-F150 HydrophobicContact CD1-CD2 4.29Å; L67-F150 HydrophobicContact CD1-CE1 3.81Å; L67-F150 HydrophobicContact CD1-CE2 4.12Å; L67-F150 HydrophobicContact CD1-CG 4.23Å; L67-F150 HydrophobicContact CD1-CZ 3.89Å; L67-F150 HydrophobicContact CD2-CB 3.86Å; L67-F150 HydrophobicContact CD2-CD1 3.92Å; L67-F150 HydrophobicContact CD2-CD2 4.09Å; L67-F150 HydrophobicContact CD2-CG 3.65Å; L67-F150 HydrophobicContact CG-CD1 4.43Å; L67-F150 HydrophobicContact CG-CD2 4.26Å; L67-F150 HydrophobicContact CG-CE2 4.48Å; L67-F150 HydrophobicContact CG-CG 4.25Å; L67-Y396 HydrophobicContact CD2-CE1 4.4Å
68P92.9Very high95.1Very high41 Ų4136.7 Ų36.727%0.26621%0.205SC..  trans-55.7139.6175.8-23.432.7000111.7N70 L71 L72 I143P68-N70 PolarHBondContact O-N 2.87Å; P68-N70 VanDerWaalsContact O-N 3.11Å; P68-L71 WeakPolarHBondContact O-CA 3.28Å; P68-L71 WeakPolarHBondContact O-CB 3.49Å; P68-L71 PolarHBondContact O-N 2.83Å; P68-L72 PolarHBondContact O-N 3.17Å; P68-I143 HydrophobicContact CG-CG2 3.88Å
69D91.7Very high95Very high118 Ų11840.2 Ų40.263%0.63122%0.223SC*.Hα-helixtrans-54.7-37-178.7-63.1-31000112L67 L71 L72 N73L67-D69 PolarHBondContact O-N 3.49Å; D69-L71 PolarHBondContact O-N 2.8Å; D69-L72 PolarHBondContact O-N 2.87Å; D69-N73 VanDerWaalsContact O-CB 3.24Å; D69-N73 WeakPolarHBondContact O-CB 3.49Å; D69-N73 PolarHBondContact O-N 3.4Å; D69-N73 PolarHBondContact O-ND2 2.92Å
70N93.4Very high94.9Very high76 Ų7640.2 Ų40.241%0.40622%0.223SC..Hα-helixtrans-61.5-30.6176.3-74.6-20.1000113.1P68 R74 Y133 F137P68-N70 PolarHBondContact O-N 2.87Å; P68-N70 VanDerWaalsContact O-N 3.11Å; N70-R74 PolarHBondContact O-NH1 3.39Å; N70-R74 PolarHBondContact O-NH2 3.35Å; N70-Y133 HydrophobicContact CB-CD2 4.14Å; N70-Y133 HydrophobicContact CB-CE2 3.76Å; N70-F137 HydrophobicContact CB-CD1 4.3Å; N70-F137 HydrophobicContact CB-CD2 4.35Å; N70-F137 HydrophobicContact CB-CE1 4.09Å; N70-F137 HydrophobicContact CB-CE2 4.21Å; N70-F137 HydrophobicContact CB-CG 4.41Å; N70-F137 HydrophobicContact CB-CZ 4.04Å; N70-F137 WeakPolarHBondContact ND2-CE1 3.32Å
71L93.2Very high94.9Very high0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-84.5-42.2173.7176.859.8000111.1L67 P68 D69 N73 R74 V77 G129 V130 Y133 I147L67-L71 HydrophobicContact CB-CD2 4.39Å; L67-L71 HydrophobicContact CD1-CD2 3.97Å; L67-L71 HydrophobicContact CD1-CG 4.47Å; L67-L71 HydrophobicContact CD2-CD2 4.15Å; L67-L71 HydrophobicContact CG-CD2 4.41Å; P68-L71 WeakPolarHBondContact O-CA 3.28Å; P68-L71 WeakPolarHBondContact O-CB 3.49Å; P68-L71 PolarHBondContact O-N 2.83Å; D69-L71 PolarHBondContact O-N 2.8Å; L71-N73 PolarHBondContact O-N 2.85Å; L71-R74 HydrophobicContact CD1-CG 4.47Å; L71-R74 VanDerWaalsContact O-CB 3.27Å; L71-R74 WeakPolarHBondContact O-CB 3.47Å; L71-R74 WeakPolarHBondContact O-CG 3.47Å; L71-R74 PolarHBondContact O-N 2.8Å; L71-V77 HydrophobicContact CD1-CG2 3.95Å; L71-V77 HydrophobicContact CG-CG2 4.31Å; L71-V77 WeakPolarHBondContact O-CG2 3.36Å; L71-G129 WeakPolarHBondContact CD1-O 3.49Å; L71-V130 HydrophobicContact CD1-CG2 4.41Å; L71-Y133 HydrophobicContact CB-CD2 3.94Å; L71-Y133 HydrophobicContact CB-CE2 4.43Å; L71-Y133 HydrophobicContact CB-CG 4.22Å; L71-Y133 HydrophobicContact CD1-CG 4.08Å; L71-I147 HydrophobicContact CD2-CD1 4Å; L71-I147 HydrophobicContact CD2-CG1 3.97Å
72L93.3Very high94.9Very high26 Ų2644.7 Ų44.714%0.13625%0.25CS..Hα-helixtrans-57.3-36.7176.2-80.8177.5000112.9V64 L67 P68 D69 R74 V77V64-L72 HydrophobicContact CG1-CD2 3.99Å; V64-L72 VanDerWaalsContact O-CD2 3.25Å; V64-L72 WeakPolarHBondContact O-CD2 3.35Å; L67-L72 HydrophobicContact CB-CD2 4.25Å; L67-L72 HydrophobicContact CB-CG 4Å; L67-L72 WeakPolarHBondContact O-CD1 3.26Å; P68-L72 PolarHBondContact O-N 3.17Å; D69-L72 PolarHBondContact O-N 2.87Å; L72-R74 PolarHBondContact O-N 3.29Å; L72-R74 VanDerWaalsContact O-N 3.1Å; L72-V77 HydrophobicContact CD2-CG1 4.07Å
73N93.6Very high94.9Very high113 Ų11343.5 Ų43.560%0.60425%0.246SC*.THydrogen-bonded Turntrans-76.314178.2-67-29.1000113.6D69 L71D69-N73 VanDerWaalsContact O-CB 3.24Å; D69-N73 WeakPolarHBondContact O-CB 3.49Å; D69-N73 PolarHBondContact O-N 3.4Å; D69-N73 PolarHBondContact O-ND2 2.92Å; L71-N73 PolarHBondContact O-N 2.85Å
74R95.4Very high95Very high23 Ų2343.7 Ų43.79%0.08725%0.246CC..SBendtrans-84132.9171-74.8-55.190.371.913.4110.9N70 L71 L72 S76 V77 G78 E132N70-R74 PolarHBondContact O-NH1 3.39Å; N70-R74 PolarHBondContact O-NH2 3.35Å; L71-R74 HydrophobicContact CD1-CG 4.47Å; L71-R74 VanDerWaalsContact O-CB 3.27Å; L71-R74 WeakPolarHBondContact O-CB 3.47Å; L71-R74 WeakPolarHBondContact O-CG 3.47Å; L71-R74 PolarHBondContact O-N 2.8Å; L72-R74 PolarHBondContact O-N 3.29Å; L72-R74 VanDerWaalsContact O-N 3.1Å; R74-S76 PolarHBondContact O-N 3.48Å; R74-V77 HydrophobicContact CB-CB 4.3Å; R74-V77 HydrophobicContact CB-CG2 3.96Å; R74-V77 PolarHBondContact O-N 3.12Å; R74-G78 PolarHBondContact O-N 2.74Å; R74-E132 WeakPolarHBondContact CB-OE2 3.21Å; R74-E132 VanDerWaalsContact CD-CB 3.46Å; R74-E132 WeakPolarHBondContact CD-OE2 3.32Å; R74-E132 HydrophobicContact CG-CB 4.06Å
75P95.3Very high95.1Very high100 Ų10046.2 Ų46.265%0.64926%0.259SS*.Hα-helixtrans-51.6-42.5178.4-27.234.8000112.8V77 G78 L79P75-V77 PolarHBondContact O-N 2.72Å; P75-G78 PolarHBondContact O-N 3.45Å; P75-L79 WeakPolarHBondContact O-CB 3.32Å; P75-L79 PolarHBondContact O-N 2.96Å
76S95.1Very high95.3Very high16 Ų1646 Ų4611%0.11225%0.254CS..Hα-helixtrans-61.6-39.6178.3-68.60000113R74 L79 V80 T125 E132R74-S76 PolarHBondContact O-N 3.48Å; S76-L79 PolarHBondContact O-N 3.41Å; S76-V80 WeakPolarHBondContact O-CG2 3.45Å; S76-V80 PolarHBondContact O-N 2.8Å; S76-T125 WeakPolarHBondContact CB-O 2.94Å; S76-T125 WeakPolarHBondContact O-CG2 3.13Å; S76-E132 PolarHBondContact OG-OE1 3.02Å
77V95.8Very high95.4Very high0 Ų044.4 Ų44.40%025%0.246CC..Hα-helixtrans-71.4-42.3177.3-179.40000111.1V64 L71 L72 R74 P75 L79 V80 Q81 M126V64-V77 HydrophobicContact CG1-CG1 4.38Å; L71-V77 HydrophobicContact CD1-CG2 3.95Å; L71-V77 HydrophobicContact CG-CG2 4.31Å; L71-V77 WeakPolarHBondContact O-CG2 3.36Å; L72-V77 HydrophobicContact CD2-CG1 4.07Å; R74-V77 HydrophobicContact CB-CB 4.3Å; R74-V77 HydrophobicContact CB-CG2 3.96Å; R74-V77 PolarHBondContact O-N 3.12Å; P75-V77 PolarHBondContact O-N 2.72Å; V77-L79 VanDerWaalsContact C-N 3.29Å; V77-L79 PolarHBondContact O-N 2.83Å; V77-V80 PolarHBondContact O-N 3.23Å; V77-Q81 WeakPolarHBondContact O-CG 3.32Å; V77-Q81 PolarHBondContact O-N 3.4Å; V77-M126 HydrophobicContact CG2-CE 3.91Å; V77-M126 HydrophobicContact CG2-SD 4.14Å
78G95.3Very high95.6Very high30 Ų3044.1 Ų44.131%0.30925%0.245SC..Hα-helixtrans-60.1-38.1174.500000112.8R74 P75 Q81 S82R74-G78 PolarHBondContact O-N 2.74Å; P75-G78 PolarHBondContact O-N 3.45Å; G78-Q81 PolarHBondContact O-N 3.02Å; G78-S82 PolarHBondContact O-N 3.25Å
79L96.4Very high95.8Very high74 Ų7445.4 Ų45.439%0.38725%0.249SC..Hα-helixtrans-63.4-46.8175.7-176.259.5000111.5P75 S76 V77 Q81 S82 W83 T125P75-L79 WeakPolarHBondContact O-CB 3.32Å; P75-L79 PolarHBondContact O-N 2.96Å; S76-L79 PolarHBondContact O-N 3.41Å; V77-L79 VanDerWaalsContact C-N 3.29Å; V77-L79 PolarHBondContact O-N 2.83Å; L79-Q81 PolarHBondContact O-N 2.96Å; L79-S82 WeakPolarHBondContact O-CB 3.37Å; L79-S82 PolarHBondContact O-N 3.08Å; L79-S82 VanDerWaalsContact O-N 3.12Å; L79-S82 PolarHBondContact O-OG 3.18Å; L79-W83 HydrophobicContact CD1-CZ2 3.85Å; L79-W83 HydrophobicContact CD2-CH2 3.74Å; L79-W83 HydrophobicContact CD2-CZ2 3.52Å; L79-W83 HydrophobicContact CG-CD2 4.24Å; L79-W83 HydrophobicContact CG-CH2 3.88Å; L79-W83 HydrophobicContact CG-CZ2 3.48Å; L79-W83 VanDerWaalsContact CG-CZ2 3.48Å; L79-W83 HydrophobicContact CG-CZ3 4.39Å; L79-W83 PolarHBondContact O-N 2.97Å; L79-T125 HydrophobicContact CD2-CG2 4.15Å
80V97Very high96.1Very high2 Ų241 Ų411%0.01223%0.225CC..Hα-helixtrans-60.4-44.1175.4171.40000111.2S76 V77 S82 W83 Y84 V122 T125 M126 F154S76-V80 WeakPolarHBondContact O-CG2 3.45Å; S76-V80 PolarHBondContact O-N 2.8Å; V77-V80 PolarHBondContact O-N 3.23Å; V80-S82 VanDerWaalsContact C-N 3.27Å; V80-S82 PolarHBondContact O-N 3.19Å; V80-W83 HydrophobicContact CG2-CE3 4.23Å; V80-W83 HydrophobicContact CG2-CZ3 4.21Å; V80-W83 PolarHBondContact O-N 3.21Å; V80-Y84 HydrophobicContact CG1-CD2 3.95Å; V80-Y84 HydrophobicContact CG1-CE2 3.86Å; V80-Y84 VanDerWaalsContact O-CD2 3.28Å; V80-Y84 WeakPolarHBondContact O-CD2 3.41Å; V80-Y84 PolarHBondContact O-N 3.42Å; V80-Y84 VanDerWaalsContact O-N 3.09Å; V80-V122 HydrophobicContact CG1-CG1 4.42Å; V80-T125 HydrophobicContact CG2-CG2 3.81Å; V80-M126 HydrophobicContact CG2-CB 4.4Å; V80-F154 HydrophobicContact CG1-CE2 4.08Å; V80-F154 HydrophobicContact CG1-CZ 3.67Å
81Q96.6Very high96.3Very high54 Ų5437.4 Ų37.425%0.25221%0.205SC..Hα-helixtrans-58.1-40.6174.8-74.2177.1-55.900111.9V64 N65 V77 G78 L79 Y84 M85V64-Q81 HydrophobicContact CG1-CG 3.6Å; N65-Q81 PolarHBondContact OD1-NE2 3.13Å; V77-Q81 WeakPolarHBondContact O-CG 3.32Å; V77-Q81 PolarHBondContact O-N 3.4Å; G78-Q81 PolarHBondContact O-N 3.02Å; L79-Q81 PolarHBondContact O-N 2.96Å; Q81-Y84 PolarHBondContact O-N 2.73Å; Q81-M85 WeakPolarHBondContact O-CB 3.42Å; Q81-M85 PolarHBondContact O-N 3.11Å
82S96.8Very high96.5Very high57 Ų5738.1 Ų38.140%0.39921%0.209SC..Hα-helixtrans-64.7-40.3178.3830000112.3G78 L79 V80 M85 Q86G78-S82 PolarHBondContact O-N 3.25Å; L79-S82 WeakPolarHBondContact O-CB 3.37Å; L79-S82 PolarHBondContact O-N 3.08Å; L79-S82 VanDerWaalsContact O-N 3.12Å; L79-S82 PolarHBondContact O-OG 3.18Å; V80-S82 VanDerWaalsContact C-N 3.27Å; V80-S82 PolarHBondContact O-N 3.19Å; S82-M85 PolarHBondContact O-N 3.2Å; S82-Q86 WeakPolarHBondContact O-CB 3.28Å; S82-Q86 PolarHBondContact O-N 3Å
83W98.1Very high96.6Very high45 Ų4542.1 Ų42.117%0.1723%0.227CC..Hα-helixtrans-66.8-41.1178.3-66.4-23.7000113.1L79 V80 S87 R118 D121 V122 T125L79-W83 HydrophobicContact CD1-CZ2 3.85Å; L79-W83 HydrophobicContact CD2-CH2 3.74Å; L79-W83 HydrophobicContact CD2-CZ2 3.52Å; L79-W83 HydrophobicContact CG-CD2 4.24Å; L79-W83 HydrophobicContact CG-CH2 3.88Å; L79-W83 HydrophobicContact CG-CZ2 3.48Å; L79-W83 VanDerWaalsContact CG-CZ2 3.48Å; L79-W83 HydrophobicContact CG-CZ3 4.39Å; L79-W83 PolarHBondContact O-N 2.97Å; V80-W83 HydrophobicContact CG2-CE3 4.23Å; V80-W83 HydrophobicContact CG2-CZ3 4.21Å; V80-W83 PolarHBondContact O-N 3.21Å; W83-S87 WeakPolarHBondContact O-CB 3.1Å; W83-S87 PolarHBondContact O-N 3.04Å; W83-S87 PolarHBondContact O-OG 3.07Å; W83-R118 HydrophobicContact CB-CG 3.99Å; W83-R118 HydrophobicContact CG-CG 3.86Å; W83-D121 HydrophobicContact CH2-CB 4.29Å; W83-V122 HydrophobicContact CE3-CG2 3.78Å; W83-V122 HydrophobicContact CZ3-CG2 4.14Å; W83-T125 HydrophobicContact CH2-CG2 4.21Å; W83-T125 HydrophobicContact CZ3-CG2 4.14Å
84Y97.7Very high96.8Very high8 Ų837.2 Ų37.23%0.03120%0.2CC..Hα-helixtrans-65-44.6175.2-86.8-115.2000110.7L57 T60 M61 V80 Q81 S87 F88 H119 V122 F154L57-Y84 HydrophobicContact CD2-CD1 3.53Å; L57-Y84 HydrophobicContact CD2-CE1 3.83Å; L57-Y84 HydrophobicContact CD2-CG 4.23Å; T60-Y84 HydrophobicContact CG2-CD1 4.35Å; T60-Y84 HydrophobicContact CG2-CE1 3.77Å; M61-Y84 HydrophobicContact CG-CD1 4.13Å; M61-Y84 HydrophobicContact CG-CG 4.45Å; V80-Y84 HydrophobicContact CG1-CD2 3.95Å; V80-Y84 HydrophobicContact CG1-CE2 3.86Å; V80-Y84 VanDerWaalsContact O-CD2 3.28Å; V80-Y84 WeakPolarHBondContact O-CD2 3.41Å; V80-Y84 PolarHBondContact O-N 3.42Å; V80-Y84 VanDerWaalsContact O-N 3.09Å; Q81-Y84 PolarHBondContact O-N 2.73Å; Y84-S87 PolarHBondContact O-N 3.03Å; Y84-F88 WeakPolarHBondContact O-CB 3.49Å; Y84-F88 PolarHBondContact O-N 3.09Å; Y84-H119 AromaticContact CD2-NE2 3.6Å; Y84-H119 AromaticContact CE2-CD2 3.8Å; Y84-H119 AromaticContact CE2-NE2 3.62Å; Y84-V122 HydrophobicContact CE2-CG1 4.06Å; Y84-V122 HydrophobicContact CE2-CG2 4.2Å; Y84-F154 HydrophobicContact CE1-CE2 4.14Å; Y84-F154 AromaticContact CE2-CE2 3.92Å; Y84-F154 HydrophobicContact CE2-CE2 3.92Å; Y84-F154 AromaticContact CE2-CZ 3.89Å; Y84-F154 HydrophobicContact CE2-CZ 3.89Å; Y84-F154 AromaticContact CZ-CE2 3.54Å; Y84-F154 AromaticContact CZ-CZ 3.79Å; Y84-F154 VanDerWaalsContact OH-CE2 3.3Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.45Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.37Å
85M96.9Very high96.6Very high60 Ų6038.6 Ų38.630%0.29621%0.208SC..Hα-helixtrans-59.4-48.8175.9-177.665.676.200111.9V12 I16 M61 Q81 S82 S87 F88 L89V12-M85 HydrophobicContact CG1-CE 4.04Å; V12-M85 HydrophobicContact CG1-SD 3.33Å; V12-M85 WeakPolarHBondContact CG1-SD 3.36Å; I16-M85 HydrophobicContact CD1-CE 3.46Å; I16-M85 VanDerWaalsContact CD1-CE 3.46Å; I16-M85 HydrophobicContact CD1-SD 3.89Å; M61-M85 HydrophobicContact CE-CB 3.98Å; M61-M85 HydrophobicContact CE-CE 3.62Å; M61-M85 HydrophobicContact CE-SD 3.83Å; Q81-M85 WeakPolarHBondContact O-CB 3.42Å; Q81-M85 PolarHBondContact O-N 3.11Å; S82-M85 PolarHBondContact O-N 3.2Å; M85-S87 VanDerWaalsContact C-N 3.3Å; M85-S87 PolarHBondContact O-N 3.44Å; M85-F88 PolarHBondContact O-N 3.22Å; M85-L89 HydrophobicContact CG-CD1 4.25Å; M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.18Å; M85-L89 HydrophobicContact SD-CD1 4.46Å; M85-L89 HydrophobicContact SD-CG 4.49Å
86Q97.5Very high96.5Very high84 Ų8439.2 Ų39.239%0.39321%0.206SC..Hα-helixtrans-59.4-44.1179.6-175.7177.53.300111.2S82 L89 E90 R118S82-Q86 WeakPolarHBondContact O-CB 3.28Å; S82-Q86 PolarHBondContact O-N 3Å; Q86-L89 PolarHBondContact O-N 3.41Å; Q86-E90 PolarHBondContact NE2-OE1 3.02Å; Q86-E90 WeakPolarHBondContact O-CG 3.24Å; Q86-E90 PolarHBondContact O-N 3.21Å; Q86-R118 VanDerWaalsContact CD-NH2 3.3Å
87S98.2Very high96.5Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-70-37.5-179.1-53.90000112.1W83 Y84 M85 L89 L91 R118 H119W83-S87 WeakPolarHBondContact O-CB 3.1Å; W83-S87 PolarHBondContact O-N 3.04Å; W83-S87 PolarHBondContact O-OG 3.07Å; Y84-S87 PolarHBondContact O-N 3.03Å; M85-S87 VanDerWaalsContact C-N 3.3Å; M85-S87 PolarHBondContact O-N 3.44Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-L91 WeakPolarHBondContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CD1 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.26Å; S87-L91 WeakPolarHBondContact O-CG 3.35Å; S87-L91 PolarHBondContact O-N 3.02Å; S87-R118 PolarHBondContact OG-NH1 3.13Å; S87-H119 PolarHBondContact OG-CE1 2.83Å
88F98.1Very high96.6Very high0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-59.2-46.5173.3177.8-98.2000111.2Q15 I16 Y19 P54 L57 A58 M61 Y84 M85 L92Q15-F88 HydrophobicContact CB-CE1 3.93Å; Q15-F88 HydrophobicContact CB-CZ 4.09Å; I16-F88 HydrophobicContact CG1-CD1 4.26Å; I16-F88 HydrophobicContact CG1-CE1 3.96Å; I16-F88 HydrophobicContact CG1-CZ 4.32Å; Y19-F88 HydrophobicContact CD2-CE2 4.21Å; Y19-F88 AromaticContact CD2-CZ 3.89Å; Y19-F88 HydrophobicContact CD2-CZ 3.89Å; Y19-F88 HydrophobicContact CE2-CZ 4.47Å; Y19-F88 HydrophobicContact CG-CE2 4.03Å; Y19-F88 HydrophobicContact CG-CZ 4.18Å; P54-F88 HydrophobicContact CB-CD2 4Å; P54-F88 HydrophobicContact CB-CE2 3.79Å; L57-F88 HydrophobicContact CB-CD2 4.32Å; L57-F88 HydrophobicContact CD1-CB 4.23Å; A58-F88 HydrophobicContact CB-CE2 4.03Å; M61-F88 HydrophobicContact SD-CB 4.24Å; Y84-F88 WeakPolarHBondContact O-CB 3.49Å; Y84-F88 PolarHBondContact O-N 3.09Å; M85-F88 PolarHBondContact O-N 3.22Å; F88-L92 HydrophobicContact CE1-CD1 4.3Å; F88-L92 HydrophobicContact CE1-CD2 3.99Å; F88-L92 HydrophobicContact CE2-CD1 4.2Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CD2 4.26Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 3.43Å
89L97.1Very high96.6Very high68 Ų6844 Ų4436%0.35623%0.226SC..Hα-helixtrans-66.2-46.9179.2-68.7175.3000112.5V12 M85 Q86 S87 L91 L92 E93V12-L89 HydrophobicContact CG1-CD2 3.9Å; V12-L89 HydrophobicContact CG2-CD2 3.88Å; M85-L89 HydrophobicContact CG-CD1 4.25Å; M85-L89 WeakPolarHBondContact O-CG 3.41Å; M85-L89 PolarHBondContact O-N 3.18Å; M85-L89 HydrophobicContact SD-CD1 4.46Å; M85-L89 HydrophobicContact SD-CG 4.49Å; Q86-L89 PolarHBondContact O-N 3.41Å; S87-L89 VanDerWaalsContact C-N 3.34Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 3.38Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 2.86Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L89-E93 PolarHBondContact O-N 3.16Å
90E97.7Very high96.7Very high25 Ų2546.5 Ų46.512%0.11724%0.235CC..Hα-helixtrans-59.6-39.5178.7-74.5176.2161.700112Q86 Y94 V111 K114 R118Q86-E90 PolarHBondContact NE2-OE1 3.02Å; Q86-E90 WeakPolarHBondContact O-CG 3.24Å; Q86-E90 PolarHBondContact O-N 3.21Å; E90-Y94 WeakPolarHBondContact O-CD2 3.16Å; E90-V111 HydrophobicContact CB-CG1 4.22Å; E90-K114 WeakPolarHBondContact OE1-CE 3.38Å; E90-K114 IonicContact OE1-NZ 3.04Å; E90-K114 PolarHBondContact OE1-NZ 3.44Å; E90-R118 IonicContact OE1-CZ 3.61Å; E90-R118 IonicContact OE1-NH2 3.96Å; E90-R118 PolarHBondContact OE1-NH2 3.11Å; E90-R118 IonicContact OE2-CZ 3.94Å; E90-R118 IonicContact OE2-NH1 2.75Å; E90-R118 PolarHBondContact OE2-NH1 3.37Å; E90-R118 IonicContact OE2-NH2 2.9Å; E90-R118 PolarHBondContact OE2-NH2 2.9Å
91L97.9Very high96.6Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-71.3-34.4176.3-71166.5000112.3L53 P54 L57 S87 L89 E93 Y94 F108 V111 L112 F161L53-L91 HydrophobicContact CB-CD1 3.74Å; L53-L91 HydrophobicContact CD1-CD1 4.35Å; L53-L91 HydrophobicContact CD1-CD2 4.16Å; P54-L91 HydrophobicContact CG-CB 3.93Å; L57-L91 HydrophobicContact CD1-CD1 3.79Å; S87-L91 WeakPolarHBondContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CD1 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.26Å; S87-L91 WeakPolarHBondContact O-CG 3.35Å; S87-L91 PolarHBondContact O-N 3.02Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 3.38Å; L91-E93 PolarHBondContact O-N 3.21Å; L91-Y94 PolarHBondContact O-N 3.25Å; L91-Y94 VanDerWaalsContact O-N 3.09Å; L91-F108 HydrophobicContact CD2-CE2 3.86Å; L91-F108 HydrophobicContact CD2-CZ 4.36Å; L91-V111 HydrophobicContact CD2-CG1 4.18Å; L91-L112 HydrophobicContact CD2-CD2 3.88Å; L91-F161 HydrophobicContact CD1-CZ 4.37Å
92L96.3Very high96.6Very high16 Ų1652.2 Ų52.28%0.08427%0.273CS..Hα-helixtrans-64-24.2-179.3-136.968.6000113Q15 Y19 P54 F88 L89 Y94 E95Q15-L92 HydrophobicContact CB-CD2 4.2Å; Q15-L92 HydrophobicContact CG-CD2 4.05Å; Y19-L92 HydrophobicContact CD2-CD1 4.35Å; Y19-L92 HydrophobicContact CE1-CD1 4.35Å; Y19-L92 HydrophobicContact CE2-CD1 3.62Å; P54-L92 HydrophobicContact CB-CD1 4.15Å; P54-L92 HydrophobicContact CG-CD1 4.34Å; F88-L92 HydrophobicContact CE1-CD1 4.3Å; F88-L92 HydrophobicContact CE1-CD2 3.99Å; F88-L92 HydrophobicContact CE2-CD1 4.2Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CD2 4.26Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 3.43Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 2.86Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L92-Y94 PolarHBondContact O-N 3.34Å; L92-E95 WeakPolarHBondContact O-CB 3.17Å; L92-E95 PolarHBondContact O-N 3.49Å
93E96.2Very high96.6Very high110 Ų11054.3 Ų54.351%0.51428%0.276SS..THydrogen-bonded Turntrans-61.1-20.5174.8-64-173.5-160.600113.2L89 L91 K97L89-E93 PolarHBondContact O-N 3.16Å; L91-E93 PolarHBondContact O-N 3.21Å; E93-K97 VanDerWaalsContact O-CE 3.25Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å
94Y97.3Very high96.6Very high10 Ų1052.8 Ų52.84%0.03927%0.272CS..THydrogen-bonded Turntrans-95.5-5.6-177.6-67.6-95.2000113.7Y46 R50 E90 L91 L92 N96 K97 V104 N107 F108 V111Y46-Y94 AromaticContact CE2-CD1 3.96Å; Y46-Y94 HydrophobicContact CE2-CD1 3.96Å; Y46-Y94 HydrophobicContact CE2-CG 4.43Å; Y46-Y94 PolarHBondContact OH-O 2.87Å; R50-Y94 PolarHBondContact NH1-O 3.36Å; E90-Y94 WeakPolarHBondContact O-CD2 3.16Å; L91-Y94 PolarHBondContact O-N 3.25Å; L91-Y94 VanDerWaalsContact O-N 3.09Å; L92-Y94 PolarHBondContact O-N 3.34Å; Y94-N96 PolarHBondContact O-N 3.07Å; Y94-N96 VanDerWaalsContact O-N 3.12Å; Y94-K97 HydrophobicContact CD1-CD 3.84Å; Y94-K97 HydrophobicContact CE1-CD 4.13Å; Y94-K97 HydrophobicContact CG-CD 4.36Å; Y94-K97 PolarHBondContact O-N 2.88Å; Y94-V104 HydrophobicContact CD1-CG1 3.98Å; Y94-V104 HydrophobicContact CE1-CG1 4.3Å; Y94-N107 HydrophobicContact CE1-CB 4.34Å; Y94-N107 VanDerWaalsContact OH-C 3.28Å; Y94-N107 WeakPolarHBondContact OH-CB 3.46Å; Y94-N107 PolarHBondContact OH-O 2.92Å; Y94-F108 HydrophobicContact CD1-CB 3.91Å; Y94-F108 AromaticContact CD1-CD2 3.74Å; Y94-F108 HydrophobicContact CD1-CD2 3.74Å; Y94-F108 HydrophobicContact CD1-CG 4.28Å; Y94-F108 AromaticContact CD2-CD2 3.94Å; Y94-F108 HydrophobicContact CD2-CD2 3.94Å; Y94-F108 HydrophobicContact CE1-CB 3.71Å; Y94-F108 HydrophobicContact CE1-CD2 4.15Å; Y94-F108 HydrophobicContact CE1-CG 4.45Å; Y94-F108 HydrophobicContact CE2-CD2 4.33Å; Y94-F108 AromaticContact CG-CD2 3.63Å; Y94-F108 HydrophobicContact CG-CD2 3.63Å; Y94-F108 HydrophobicContact CG-CE2 4.31Å; Y94-V111 HydrophobicContact CE2-CB 4.29Å; Y94-V111 HydrophobicContact CE2-CG1 4.41Å; Y94-V111 HydrophobicContact CE2-CG2 3.85Å; Y94-V111 WeakPolarHBondContact OH-CG2 3.49Å
95E91.9Very high96.6Very high52 Ų5253 Ų5324%0.24327%0.273CS..THydrogen-bonded Turntrans-57.5-30.6-177.4173.762.7-174.100112.9K51 L92K51-E95 IonicContact NZ-OE1 2.77Å; K51-E95 PolarHBondContact NZ-OE1 2.77Å; K51-E95 IonicContact NZ-OE2 3.28Å; K51-E95 PolarHBondContact NZ-OE2 3.16Å; L92-E95 WeakPolarHBondContact O-CB 3.17Å; L92-E95 PolarHBondContact O-N 3.49Å
96N92.4Very high96.7Very high113 Ų11353.5 Ų53.560%0.60428%0.278SS*.THydrogen-bonded Turntrans-116.85.3-177.968-9.1000114.6Y94Y94-N96 PolarHBondContact O-N 3.07Å; Y94-N96 VanDerWaalsContact O-N 3.12Å
97K96.5Very high96.7Very high65 Ų6552.5 Ų52.528%0.28328%0.275SS..SBendtrans-79.7148.1176.5-64.8-175.4-179.1177.40110.1Y46 R50 E93 Y94 V104Y46-K97 PolarHBondContact OH-O 2.93Å; R50-K97 PolarHBondContact NH1-O 2.98Å; E93-K97 VanDerWaalsContact O-CE 3.25Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å; Y94-K97 HydrophobicContact CD1-CD 3.84Å; Y94-K97 HydrophobicContact CE1-CD 4.13Å; Y94-K97 HydrophobicContact CG-CD 4.36Å; Y94-K97 PolarHBondContact O-N 2.88Å; K97-V104 HydrophobicContact CB-CG1 3.62Å; K97-V104 HydrophobicContact CB-CG2 4.08Å; K97-V104 HydrophobicContact CD-CG1 4.24Å; K97-V104 HydrophobicContact CD-CG2 4.35Å
98S96.9Very high96.7Very high60 Ų6052.5 Ų52.542%0.4228%0.275SS..  trans-82.9134.8-177.2-172.90000110.6E100S98-E100 PolarHBondContact O-N 3.15Å; S98-E100 PolarHBondContact OG-N 2.89Å
99P96.2Very high96.7Very high21 Ų2153 Ų5314%0.13628%0.277CS..THydrogen-bonded Turntrans-71.5-9.4171.432.6-37.4000113.3K43 Y46 M47 D101K43-P99 HydrophobicContact CB-CB 4.19Å; K43-P99 WeakPolarHBondContact CE-O 3.34Å; K43-P99 HydrophobicContact CG-CB 4.19Å; Y46-P99 HydrophobicContact CD1-CB 3.76Å; Y46-P99 HydrophobicContact CE1-CB 3.9Å; M47-P99 HydrophobicContact CG-CB 4.4Å; M47-P99 HydrophobicContact CG-CG 4.34Å; M47-P99 HydrophobicContact SD-CB 4.27Å; M47-P99 HydrophobicContact SD-CG 3.85Å; P99-D101 VanDerWaalsContact C-N 3.26Å
100E96.6Very high96.8Very high127 Ų12754.5 Ų54.559%0.59328%0.282SS*.THydrogen-bonded Turntrans-75.5-17178-57.5-50.8135.500113K43 S98 P102K43-E100 IonicContact NZ-OE1 3.46Å; K43-E100 IonicContact NZ-OE2 3.75Å; K43-E100 PolarHBondContact NZ-OE2 3.41Å; S98-E100 PolarHBondContact O-N 3.15Å; S98-E100 PolarHBondContact OG-N 2.89Å; E100-P102 WeakPolarHBondContact O-CD 3.44Å
101D96.7Very high96.8Very high76 Ų7654.3 Ų54.341%0.40628%0.283SS..  trans-90.8113.1176.2-179.4-2.9000109.9P99 Q103 V104P99-D101 VanDerWaalsContact C-N 3.26Å; D101-Q103 PolarHBondContact O-N 3.09Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.5Å; D101-Q103 PolarHBondContact OD1-N 3Å; D101-V104 HydrophobicContact CB-CB 4.27Å; D101-V104 HydrophobicContact CB-CG2 3.78Å; D101-V104 WeakPolarHBondContact O-CB 3.24Å; D101-V104 PolarHBondContact O-N 3.01Å
102P95.4Very high96.8Very high99 Ų9954.3 Ų54.364%0.64328%0.283SS*.Hα-helixtrans-62.5-28.1-179.426.3-34.3000112.7E100 V104 L105 D106E100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-V104 PolarHBondContact O-N 3.41Å; P102-L105 PolarHBondContact O-N 3.02Å; P102-D106 PolarHBondContact O-N 3.35Å; P102-D106 VanDerWaalsContact O-N 3.08Å
103Q97.5Very high96.8Very high102 Ų10255.7 Ų55.748%0.47729%0.29SS..Hα-helixtrans-67.3-29.1176.8-168.862.45600111.5D101 N107D101-Q103 PolarHBondContact O-N 3.09Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.5Å; D101-Q103 PolarHBondContact OD1-N 3Å; Q103-N107 PolarHBondContact NE2-OD1 3.4Å; Q103-N107 WeakPolarHBondContact O-CB 3.42Å; Q103-N107 PolarHBondContact O-N 3.43Å; Q103-N107 PolarHBondContact O-ND2 3.35Å
104V98.1Very high96.9Very high13 Ų1355.6 Ų55.68%0.07929%0.288CS..Hα-helixtrans-67.2-39.8174.3172.80000110.7Y46 Y94 K97 D101 P102 F108Y46-V104 HydrophobicContact CE2-CG1 4.07Å; Y94-V104 HydrophobicContact CD1-CG1 3.98Å; Y94-V104 HydrophobicContact CE1-CG1 4.3Å; K97-V104 HydrophobicContact CB-CG1 3.62Å; K97-V104 HydrophobicContact CB-CG2 4.08Å; K97-V104 HydrophobicContact CD-CG1 4.24Å; K97-V104 HydrophobicContact CD-CG2 4.35Å; D101-V104 HydrophobicContact CB-CB 4.27Å; D101-V104 HydrophobicContact CB-CG2 3.78Å; D101-V104 WeakPolarHBondContact O-CB 3.24Å; D101-V104 PolarHBondContact O-N 3.01Å; P102-V104 PolarHBondContact O-N 3.41Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.47Å; V104-F108 PolarHBondContact O-N 2.97Å
105L97.9Very high96.8Very high11 Ų1155.1 Ų55.16%0.05829%0.286CS..Hα-helixtrans-67.7-48.8-180-60.1178.5000111.2E42 K43 Y46 P102 N107 F108 L109E42-L105 HydrophobicContact CG-CD1 4.31Å; K43-L105 HydrophobicContact CG-CD1 4.11Å; Y46-L105 HydrophobicContact CD1-CD2 3.97Å; Y46-L105 HydrophobicContact CD2-CD2 4.08Å; Y46-L105 HydrophobicContact CG-CD2 3.63Å; P102-L105 PolarHBondContact O-N 3.02Å; L105-N107 PolarHBondContact O-N 3.18Å; L105-F108 WeakPolarHBondContact O-CB 3.43Å; L105-F108 PolarHBondContact O-N 3.15Å; L105-F108 VanDerWaalsContact O-N 3.13Å; L105-L109 PolarHBondContact O-N 3.17Å
106D97.8Very high97Very high72 Ų7255.9 Ų55.939%0.38529%0.287SS..Hα-helixtrans-61.3-46.8177-179.948.4000111.9P102 F108 L109 Q110P102-D106 PolarHBondContact O-N 3.35Å; P102-D106 VanDerWaalsContact O-N 3.08Å; D106-F108 VanDerWaalsContact C-N 3.26Å; D106-F108 PolarHBondContact O-N 3.45Å; D106-L109 WeakPolarHBondContact O-CB 3.45Å; D106-L109 PolarHBondContact O-N 2.71Å; D106-Q110 WeakPolarHBondContact O-CG 3.26Å; D106-Q110 PolarHBondContact O-N 2.81Å
107N98.3Very high97Very high63 Ų6354.2 Ų54.234%0.33728%0.278SS..Hα-helixtrans-61.4-36.3175.9-70.7-22.1000112.2Y94 Q103 L105 Q110 V111Y94-N107 HydrophobicContact CE1-CB 4.34Å; Y94-N107 VanDerWaalsContact OH-C 3.28Å; Y94-N107 WeakPolarHBondContact OH-CB 3.46Å; Y94-N107 PolarHBondContact OH-O 2.92Å; Q103-N107 PolarHBondContact NE2-OD1 3.4Å; Q103-N107 WeakPolarHBondContact O-CB 3.42Å; Q103-N107 PolarHBondContact O-N 3.43Å; Q103-N107 PolarHBondContact O-ND2 3.35Å; L105-N107 PolarHBondContact O-N 3.18Å; N107-Q110 PolarHBondContact O-N 3.08Å; N107-V111 WeakPolarHBondContact O-CG2 3.1Å; N107-V111 PolarHBondContact O-N 2.71Å
108F98.6Very high97Very high0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-65.9-44.4176.5-177.1-105.4000111.3Y46 L49 R50 L91 Y94 V104 L105 D106 Q110 V111 L112Y46-F108 HydrophobicContact CD2-CB 3.98Å; Y46-F108 AromaticContact CD2-CD1 3.57Å; Y46-F108 HydrophobicContact CD2-CD1 3.57Å; Y46-F108 HydrophobicContact CD2-CD2 4.02Å; Y46-F108 AromaticContact CD2-CE1 3.94Å; Y46-F108 HydrophobicContact CD2-CE1 3.94Å; Y46-F108 HydrophobicContact CD2-CE2 4.37Å; Y46-F108 AromaticContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CZ 4.32Å; Y46-F108 HydrophobicContact CE2-CB 4.05Å; Y46-F108 HydrophobicContact CE2-CD1 4.27Å; Y46-F108 AromaticContact CE2-CD2 3.89Å; Y46-F108 HydrophobicContact CE2-CD2 3.89Å; Y46-F108 HydrophobicContact CE2-CE2 4.37Å; Y46-F108 AromaticContact CE2-CG 3.81Å; Y46-F108 HydrophobicContact CE2-CG 3.81Å; L49-F108 HydrophobicContact CB-CE1 4.1Å; L49-F108 HydrophobicContact CB-CZ 3.97Å; R50-F108 HydrophobicContact CB-CE2 4.06Å; R50-F108 HydrophobicContact CB-CZ 4.2Å; L91-F108 HydrophobicContact CD2-CE2 3.86Å; L91-F108 HydrophobicContact CD2-CZ 4.36Å; Y94-F108 HydrophobicContact CD1-CB 3.91Å; Y94-F108 AromaticContact CD1-CD2 3.74Å; Y94-F108 HydrophobicContact CD1-CD2 3.74Å; Y94-F108 HydrophobicContact CD1-CG 4.28Å; Y94-F108 AromaticContact CD2-CD2 3.94Å; Y94-F108 HydrophobicContact CD2-CD2 3.94Å; Y94-F108 HydrophobicContact CE1-CB 3.71Å; Y94-F108 HydrophobicContact CE1-CD2 4.15Å; Y94-F108 HydrophobicContact CE1-CG 4.45Å; Y94-F108 HydrophobicContact CE2-CD2 4.33Å; Y94-F108 AromaticContact CG-CD2 3.63Å; Y94-F108 HydrophobicContact CG-CD2 3.63Å; Y94-F108 HydrophobicContact CG-CE2 4.31Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.47Å; V104-F108 PolarHBondContact O-N 2.97Å; L105-F108 WeakPolarHBondContact O-CB 3.43Å; L105-F108 PolarHBondContact O-N 3.15Å; L105-F108 VanDerWaalsContact O-N 3.13Å; D106-F108 VanDerWaalsContact C-N 3.26Å; D106-F108 PolarHBondContact O-N 3.45Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 3.29Å; F108-V111 WeakPolarHBondContact O-CA 3.45Å; F108-V111 WeakPolarHBondContact O-CB 3.33Å; F108-V111 PolarHBondContact O-N 3.13Å; F108-V111 VanDerWaalsContact O-N 3.09Å; F108-L112 HydrophobicContact CD1-CD1 4.12Å; F108-L112 HydrophobicContact CD1-CG 4.14Å; F108-L112 HydrophobicContact CE1-CD1 3.72Å; F108-L112 HydrophobicContact CE1-CD2 3.96Å; F108-L112 HydrophobicContact CE1-CG 3.9Å; F108-L112 HydrophobicContact CE2-CD2 4.25Å; F108-L112 HydrophobicContact CZ-CD1 4.38Å; F108-L112 HydrophobicContact CZ-CD2 3.79Å; F108-L112 HydrophobicContact CZ-CG 4.24Å; F108-L112 WeakPolarHBondContact O-CG 3.38Å; F108-L112 PolarHBondContact O-N 2.97Å
109L98.2Very high96.9Very high10 Ų1050.2 Ų50.25%0.05225%0.252CS..Hα-helixtrans-54.9-46.4173.4175.470000111.2L105 D106 V111 L112 I113 T169L105-L109 PolarHBondContact O-N 3.17Å; D106-L109 WeakPolarHBondContact O-CB 3.45Å; D106-L109 PolarHBondContact O-N 2.71Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.01Å; L109-L112 WeakPolarHBondContact O-CB 3.44Å; L109-L112 PolarHBondContact O-N 3.18Å; L109-L112 VanDerWaalsContact O-N 3.15Å; L109-I113 HydrophobicContact CG-CD1 4.31Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 2.81Å; L109-T169 HydrophobicContact CD1-CG2 3.84Å
110Q98.1Very high96.4Very high99 Ų9952.5 Ų52.546%0.46326%0.263SS..Hα-helixtrans-62-38.6175.9-62.3-51.1-40.100112.6D106 N107 F108 I113 K114D106-Q110 WeakPolarHBondContact O-CG 3.26Å; D106-Q110 PolarHBondContact O-N 2.81Å; N107-Q110 PolarHBondContact O-N 3.08Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 3.29Å; Q110-I113 PolarHBondContact O-N 3.49Å; Q110-K114 WeakPolarHBondContact O-CB 3.44Å; Q110-K114 PolarHBondContact O-N 2.85Å
111V98.4Very high96.1Very high22 Ų2251 Ų5113%0.13326%0.26CS..Hα-helixtrans-63.8-41.7173.8168.30000111.2E90 L91 Y94 N107 F108 L109 I113 K114 V115E90-V111 HydrophobicContact CB-CG1 4.22Å; L91-V111 HydrophobicContact CD2-CG1 4.18Å; Y94-V111 HydrophobicContact CE2-CB 4.29Å; Y94-V111 HydrophobicContact CE2-CG1 4.41Å; Y94-V111 HydrophobicContact CE2-CG2 3.85Å; Y94-V111 WeakPolarHBondContact OH-CG2 3.49Å; N107-V111 WeakPolarHBondContact O-CG2 3.1Å; N107-V111 PolarHBondContact O-N 2.71Å; F108-V111 WeakPolarHBondContact O-CA 3.45Å; F108-V111 WeakPolarHBondContact O-CB 3.33Å; F108-V111 PolarHBondContact O-N 3.13Å; F108-V111 VanDerWaalsContact O-N 3.09Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.01Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.37Å; V111-K114 PolarHBondContact O-N 3.02Å; V111-V115 HydrophobicContact CG1-CG2 4.07Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.41Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 3.45Å
112L98.2Very high95.9Very high0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-61-43.2175.9-63.6-169.2000111.9L49 L53 L91 F108 L109 V115 R116 I165 H168 T169L49-L112 HydrophobicContact CD1-CD1 4.23Å; L53-L112 HydrophobicContact CD1-CD2 3.53Å; L91-L112 HydrophobicContact CD2-CD2 3.88Å; F108-L112 HydrophobicContact CD1-CD1 4.12Å; F108-L112 HydrophobicContact CD1-CG 4.14Å; F108-L112 HydrophobicContact CE1-CD1 3.72Å; F108-L112 HydrophobicContact CE1-CD2 3.96Å; F108-L112 HydrophobicContact CE1-CG 3.9Å; F108-L112 HydrophobicContact CE2-CD2 4.25Å; F108-L112 HydrophobicContact CZ-CD1 4.38Å; F108-L112 HydrophobicContact CZ-CD2 3.79Å; F108-L112 HydrophobicContact CZ-CG 4.24Å; F108-L112 WeakPolarHBondContact O-CG 3.38Å; F108-L112 PolarHBondContact O-N 2.97Å; L109-L112 WeakPolarHBondContact O-CB 3.44Å; L109-L112 PolarHBondContact O-N 3.18Å; L109-L112 VanDerWaalsContact O-N 3.15Å; L112-V115 PolarHBondContact O-N 3.33Å; L112-R116 VanDerWaalsContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 PolarHBondContact O-N 3.26Å; L112-I165 HydrophobicContact CB-CG1 4.5Å; L112-I165 HydrophobicContact CB-CG2 4.02Å; L112-I165 HydrophobicContact CD2-CG1 4.27Å; L112-H168 HydrophobicContact CD1-CB 3.95Å; L112-H168 VanDerWaalsContact CD1-CD2 3.48Å; L112-H168 WeakPolarHBondContact CD1-CD2 3.37Å; L112-T169 HydrophobicContact CB-CG2 4.42Å
113I96.6Very high95.6Very high44 Ų4444.3 Ų44.323%0.22622%0.219CC..Hα-helixtrans-61.6-47.5175.9-67166.6000110.5L109 Q110 V111 V115 R116 N117 T169L109-I113 HydrophobicContact CG-CD1 4.31Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 2.81Å; Q110-I113 PolarHBondContact O-N 3.49Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.37Å; I113-V115 PolarHBondContact O-N 3.04Å; I113-R116 PolarHBondContact O-N 2.84Å; I113-N117 WeakPolarHBondContact O-CB 3.49Å; I113-N117 PolarHBondContact O-N 2.86Å; I113-N117 PolarHBondContact O-OD1 3.33Å; I113-T169 HydrophobicContact CG1-CG2 3.96Å
114K97.6Very high95.2Very high108 Ų10842.8 Ų42.847%0.4722%0.218SC..Hα-helixtrans-59.4-46.3178.2-172.1-172.7-173.9-168.60111.7E90 Q110 V111 N117 R118E90-K114 WeakPolarHBondContact OE1-CE 3.38Å; E90-K114 IonicContact OE1-NZ 3.04Å; E90-K114 PolarHBondContact OE1-NZ 3.44Å; Q110-K114 WeakPolarHBondContact O-CB 3.44Å; Q110-K114 PolarHBondContact O-N 2.85Å; V111-K114 PolarHBondContact O-N 3.02Å; K114-N117 PolarHBondContact O-N 3Å; K114-R118 WeakPolarHBondContact O-CB 3.31Å; K114-R118 PolarHBondContact O-N 3.46Å
115V96.1Very high94.8Very high0 Ų043.2 Ų43.20%022%0.221CC..Hα-helixtrans-64.6-44.6179168.20000110.8V111 L112 I113 N117 R118 H119 F161 I165V111-V115 HydrophobicContact CG1-CG2 4.07Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.41Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 3.45Å; L112-V115 PolarHBondContact O-N 3.33Å; I113-V115 PolarHBondContact O-N 3.04Å; V115-N117 PolarHBondContact O-N 3.43Å; V115-R118 PolarHBondContact O-N 3.19Å; V115-H119 PolarHBondContact O-N 3.26Å; V115-H119 VanDerWaalsContact O-N 3.11Å; V115-H119 PolarHBondContact O-ND1 3.42Å; V115-F161 HydrophobicContact CG1-CE1 3.54Å; V115-F161 HydrophobicContact CG1-CZ 3.61Å; V115-I165 HydrophobicContact CG1-CD1 4.23Å
116R94.8Very high94.7Very high68 Ų6842.8 Ų42.826%0.25722%0.219SC..Hα-helixtrans-56.2-50174.6-177.8-172.168.3-166.41.2111.3L112 I113 R118 H119 N120 I165L112-R116 VanDerWaalsContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 PolarHBondContact O-N 3.26Å; I113-R116 PolarHBondContact O-N 2.84Å; R116-R118 PolarHBondContact O-N 3.38Å; R116-H119 CarbonylContact O-C 3.45Å; R116-H119 WeakPolarHBondContact O-CA 3.26Å; R116-H119 PolarHBondContact O-N 2.87Å; R116-N120 PolarHBondContact O-N 2.9Å; R116-N120 PolarHBondContact O-OD1 3.39Å; R116-I165 HydrophobicContact CB-CG2 4.06Å; R116-I165 HydrophobicContact CG-CG2 4.46Å
117N92.9Very high94.3Very high79 Ų7939.6 Ų39.642%0.42220%0.203SC..Hα-helixtrans-63.1-41.9-178.5-65.9-7.5000111.5I113 K114 V115 H119 N120I113-N117 WeakPolarHBondContact O-CB 3.49Å; I113-N117 PolarHBondContact O-N 2.86Å; I113-N117 PolarHBondContact O-OD1 3.33Å; K114-N117 PolarHBondContact O-N 3Å; V115-N117 PolarHBondContact O-N 3.43Å; N117-H119 PolarHBondContact O-N 2.84Å; N117-N120 WeakPolarHBondContact O-CB 3.48Å; N117-N120 PolarHBondContact O-N 2.92Å; N117-N120 PolarHBondContact O-ND2 2.85Å
118R96.2Very high93.9Very high34 Ų3438.7 Ų38.713%0.12820%0.196CC..Hα-helixtrans-57.8-31.4172.7-174.5-172-62.5116.92.1112.5W83 Q86 S87 E90 K114 V115 R116W83-R118 HydrophobicContact CB-CG 3.99Å; W83-R118 HydrophobicContact CG-CG 3.86Å; Q86-R118 VanDerWaalsContact CD-NH2 3.3Å; S87-R118 PolarHBondContact OG-NH1 3.13Å; E90-R118 IonicContact OE1-CZ 3.61Å; E90-R118 IonicContact OE1-NH2 3.96Å; E90-R118 PolarHBondContact OE1-NH2 3.11Å; E90-R118 IonicContact OE2-CZ 3.94Å; E90-R118 IonicContact OE2-NH1 2.75Å; E90-R118 PolarHBondContact OE2-NH1 3.37Å; E90-R118 IonicContact OE2-NH2 2.9Å; E90-R118 PolarHBondContact OE2-NH2 2.9Å; K114-R118 WeakPolarHBondContact O-CB 3.31Å; K114-R118 PolarHBondContact O-N 3.46Å; V115-R118 PolarHBondContact O-N 3.19Å; R116-R118 PolarHBondContact O-N 3.38Å
119H94.3Very high93.5Very high6 Ų638.7 Ų38.73%0.02820%0.196CC..THydrogen-bonded Turntrans-902.2-177.5-74.864.7000114.1Y84 S87 V115 R116 N117 D121 V122 R158Y84-H119 AromaticContact CD2-NE2 3.6Å; Y84-H119 AromaticContact CE2-CD2 3.8Å; Y84-H119 AromaticContact CE2-NE2 3.62Å; S87-H119 PolarHBondContact OG-CE1 2.83Å; V115-H119 PolarHBondContact O-N 3.26Å; V115-H119 VanDerWaalsContact O-N 3.11Å; V115-H119 PolarHBondContact O-ND1 3.42Å; R116-H119 CarbonylContact O-C 3.45Å; R116-H119 WeakPolarHBondContact O-CA 3.26Å; R116-H119 PolarHBondContact O-N 2.87Å; N117-H119 PolarHBondContact O-N 2.84Å; H119-D121 PolarHBondContact O-N 2.79Å; H119-V122 HydrophobicContact CB-CG2 4.08Å; H119-V122 PolarHBondContact O-N 3.38Å; H119-R158 PolarHBondContact O-NH1 3.42Å
120N87.4Confident93.2Very high69 Ų6938.4 Ų38.437%0.36920%0.195SC..THydrogen-bonded Turntrans-57.3-49.2-179.2-78.7-17.5000111.5R116 N117 V122 R158R116-N120 PolarHBondContact O-N 2.9Å; R116-N120 PolarHBondContact O-OD1 3.39Å; N117-N120 WeakPolarHBondContact O-CB 3.48Å; N117-N120 PolarHBondContact O-N 2.92Å; N117-N120 PolarHBondContact O-ND2 2.85Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.21Å; N120-R158 PolarHBondContact O-NH2 2.87Å
121D88.8Confident92.8Very high97 Ų9735.5 Ų35.552%0.51918%0.182SC..THydrogen-bonded Turntrans-88.55.6-173.5-59.7-37.9000114.4W83 H119 V123 P124 T125W83-D121 HydrophobicContact CH2-CB 4.29Å; H119-D121 PolarHBondContact O-N 2.79Å; D121-V123 VanDerWaalsContact C-N 3.28Å; D121-V123 PolarHBondContact O-N 3.03Å; D121-P124 HydrophobicContact CB-CG 4.28Å; D121-P124 WeakPolarHBondContact O-CD 3.36Å; D121-P124 VanDerWaalsContact O-CG 3.29Å; D121-P124 WeakPolarHBondContact O-CG 3.49Å; D121-T125 VanDerWaalsContact O-CB 3.28Å; D121-T125 WeakPolarHBondContact O-CB 3.46Å; D121-T125 PolarHBondContact O-N 2.97Å; D121-T125 PolarHBondContact O-OG1 3.35Å
122V92.2Very high92.4Very high0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-57.6-38.9-179.2165.60000113V80 W83 Y84 H119 N120 M126 F154V80-V122 HydrophobicContact CG1-CG1 4.42Å; W83-V122 HydrophobicContact CE3-CG2 3.78Å; W83-V122 HydrophobicContact CZ3-CG2 4.14Å; Y84-V122 HydrophobicContact CE2-CG1 4.06Å; Y84-V122 HydrophobicContact CE2-CG2 4.2Å; H119-V122 HydrophobicContact CB-CG2 4.08Å; H119-V122 PolarHBondContact O-N 3.38Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.21Å; V122-M126 WeakPolarHBondContact O-CB 3.37Å; V122-M126 PolarHBondContact O-N 3.43Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.45Å; V122-F154 VanDerWaalsContact CG1-CZ 3.45Å
123V89.6Confident92Very high33 Ų3336.8 Ų36.820%0.219%0.186CC..Hα-helixtrans-65.6-58.1179.1172.70000111.6D121 T125 M126 A127 Y155D121-V123 VanDerWaalsContact C-N 3.28Å; D121-V123 PolarHBondContact O-N 3.03Å; V123-T125 PolarHBondContact O-N 2.84Å; V123-M126 PolarHBondContact O-N 2.94Å; V123-A127 WeakPolarHBondContact O-CB 3.21Å; V123-A127 PolarHBondContact O-N 3.22Å; V123-Y155 HydrophobicContact CB-CE1 4.18Å; V123-Y155 HydrophobicContact CG1-CE1 4.24Å; V123-Y155 HydrophobicContact CG2-CD1 3.81Å; V123-Y155 HydrophobicContact CG2-CE1 3.74Å
124P88.3Confident91.7Very high71 Ų7137.7 Ų37.746%0.46119%0.188SC..Hα-helixtrans-62.9-38.4178.722.4-32.4000112.7D121 A127 Q128D121-P124 HydrophobicContact CB-CG 4.28Å; D121-P124 WeakPolarHBondContact O-CD 3.36Å; D121-P124 VanDerWaalsContact O-CG 3.29Å; D121-P124 WeakPolarHBondContact O-CG 3.49Å; P124-A127 PolarHBondContact O-N 3.3Å; P124-Q128 WeakPolarHBondContact O-CB 3.09Å; P124-Q128 PolarHBondContact O-N 3.4Å
125T91.2Very high91.2Very high22 Ų2238.3 Ų38.314%0.13519%0.193CC..Hα-helixtrans-65.1-43.8177.2-54.60000112.1S76 L79 V80 W83 D121 V123 A127 Q128 G129S76-T125 WeakPolarHBondContact CB-O 2.94Å; S76-T125 WeakPolarHBondContact O-CG2 3.13Å; L79-T125 HydrophobicContact CD2-CG2 4.15Å; V80-T125 HydrophobicContact CG2-CG2 3.81Å; W83-T125 HydrophobicContact CH2-CG2 4.21Å; W83-T125 HydrophobicContact CZ3-CG2 4.14Å; D121-T125 VanDerWaalsContact O-CB 3.28Å; D121-T125 WeakPolarHBondContact O-CB 3.46Å; D121-T125 PolarHBondContact O-N 2.97Å; D121-T125 PolarHBondContact O-OG1 3.35Å; V123-T125 PolarHBondContact O-N 2.84Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.89Å; T125-Q128 WeakPolarHBondContact O-CB 3.46Å; T125-Q128 PolarHBondContact O-N 3.12Å; T125-G129 PolarHBondContact O-N 3.37Å
126M94.5Very high91Very high1 Ų145.4 Ų45.41%0.00522%0.224CC..Hα-helixtrans-67.1-37.9177.4-172.963.8-148.500111.5L67 V77 V80 V122 V123 Q128 G129 V130 F150 L151 F154 Y155L67-M126 HydrophobicContact CD1-CE 4.34Å; V77-M126 HydrophobicContact CG2-CE 3.91Å; V77-M126 HydrophobicContact CG2-SD 4.14Å; V80-M126 HydrophobicContact CG2-CB 4.4Å; V122-M126 WeakPolarHBondContact O-CB 3.37Å; V122-M126 PolarHBondContact O-N 3.43Å; V123-M126 PolarHBondContact O-N 2.94Å; M126-Q128 VanDerWaalsContact C-N 3.3Å; M126-Q128 PolarHBondContact O-N 3.14Å; M126-G129 PolarHBondContact O-N 3.34Å; M126-V130 HydrophobicContact CE-CG2 3.95Å; M126-V130 PolarHBondContact O-N 3.04Å; M126-F150 HydrophobicContact CE-CD1 4.45Å; M126-F150 HydrophobicContact CE-CE1 3.65Å; M126-F150 HydrophobicContact CE-CZ 4.42Å; M126-F150 HydrophobicContact SD-CE1 4.32Å; M126-L151 HydrophobicContact CE-CD2 4.27Å; M126-L151 HydrophobicContact CG-CD2 3.92Å; M126-F154 HydrophobicContact CB-CE1 4.04Å; M126-F154 HydrophobicContact CG-CD1 4.31Å; M126-F154 HydrophobicContact CG-CE1 3.96Å; M126-F154 HydrophobicContact CG-CZ 4.49Å; M126-Y155 HydrophobicContact CB-CE1 4.46Å; M126-Y155 WeakPolarHBondContact CB-OH 3.45Å
127A89.8Confident90.7Very high6 Ų646.1 Ų46.15%0.0523%0.229CC..Hα-helixtrans-59.3-44173.500000111.4V123 P124 T125 G129 V130 I131 Y342V123-A127 WeakPolarHBondContact O-CB 3.21Å; V123-A127 PolarHBondContact O-N 3.22Å; P124-A127 PolarHBondContact O-N 3.3Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.34Å; A127-G129 PolarHBondContact O-N 3.28Å; A127-V130 PolarHBondContact O-N 3.03Å; A127-I131 WeakPolarHBondContact O-CG1 3.32Å; A127-I131 PolarHBondContact O-N 3.37Å; A127-Y342 WeakPolarHBondContact CA-OH 3.44Å; A127-Y342 HydrophobicContact CB-CD1 4.4Å; A127-Y342 HydrophobicContact CB-CD2 4.43Å; A127-Y342 HydrophobicContact CB-CE1 3.75Å; A127-Y342 HydrophobicContact CB-CE2 3.81Å; A127-Y342 VanDerWaalsContact CB-CZ 3.43Å
128Q89.3Confident90.4Very high44 Ų4444 Ų4421%0.20623%0.225CC..Hα-helixtrans-59.3-42.9175.2-176.557.122.900112.1P124 T125 M126 V130 I131 E132P124-Q128 WeakPolarHBondContact O-CB 3.09Å; P124-Q128 PolarHBondContact O-N 3.4Å; T125-Q128 WeakPolarHBondContact O-CB 3.46Å; T125-Q128 PolarHBondContact O-N 3.12Å; M126-Q128 VanDerWaalsContact C-N 3.3Å; M126-Q128 PolarHBondContact O-N 3.14Å; Q128-V130 VanDerWaalsContact C-N 3.3Å; Q128-V130 PolarHBondContact O-N 2.98Å; Q128-I131 PolarHBondContact O-N 3.36Å; Q128-I131 VanDerWaalsContact O-N 3.15Å; Q128-E132 HydrophobicContact CG-CG 4.38Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.5Å; Q128-E132 VanDerWaalsContact O-CG 3.27Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.06Å
129G92Very high89.8Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-59.4-37.8175.800000113.7L71 T125 M126 A127 Y133L71-G129 WeakPolarHBondContact CD1-O 3.49Å; T125-G129 PolarHBondContact O-N 3.37Å; M126-G129 PolarHBondContact O-N 3.34Å; A127-G129 VanDerWaalsContact C-N 3.34Å; A127-G129 PolarHBondContact O-N 3.28Å; G129-Y133 PolarHBondContact O-N 3.01Å; G129-Y133 VanDerWaalsContact O-N 3.13Å
130V91.4Very high89.4Confident3 Ų350.7 Ų50.72%0.01826%0.259CS..Hα-helixtrans-72.2-36.2176.21780000111.5L71 M126 A127 Q128 Y133 K134 I147 L151 M320L71-V130 HydrophobicContact CD1-CG2 4.41Å; M126-V130 HydrophobicContact CE-CG2 3.95Å; M126-V130 PolarHBondContact O-N 3.04Å; A127-V130 PolarHBondContact O-N 3.03Å; Q128-V130 VanDerWaalsContact C-N 3.3Å; Q128-V130 PolarHBondContact O-N 2.98Å; V130-Y133 PolarHBondContact O-N 3.31Å; V130-K134 WeakPolarHBondContact O-CB 3.32Å; V130-K134 PolarHBondContact O-N 3.3Å; V130-I147 HydrophobicContact CG1-CG2 4.13Å; V130-I147 HydrophobicContact CG2-CG2 4.26Å; V130-L151 HydrophobicContact CG2-CD1 4.21Å; V130-L151 HydrophobicContact CG2-CD2 4.29Å; V130-M320 HydrophobicContact CG1-CG 3.75Å; V130-M320 HydrophobicContact CG1-SD 4.06Å
131I88.5Confident89.2Confident39 Ų3951.6 Ų51.620%0.227%0.268CS..Hα-helixtrans-64.1-49.9174.3-67.6165.3000110.5A127 Q128 Y133 K134 E135A127-I131 WeakPolarHBondContact O-CG1 3.32Å; A127-I131 PolarHBondContact O-N 3.37Å; Q128-I131 PolarHBondContact O-N 3.36Å; Q128-I131 VanDerWaalsContact O-N 3.15Å; I131-Y133 PolarHBondContact O-N 2.88Å; I131-K134 PolarHBondContact O-N 3.11Å; I131-K134 VanDerWaalsContact O-N 3.08Å; I131-E135 HydrophobicContact CG2-CG 4.33Å; I131-E135 WeakPolarHBondContact O-CG 3.45Å; I131-E135 PolarHBondContact O-N 2.81Å
132E89.9Confident88.9Confident38 Ų3849.7 Ų49.718%0.17826%0.256CS..Hα-helixtrans-55.3-39.1176.4-69.7166.4-166.400111.8R74 S76 Q128 K136R74-E132 WeakPolarHBondContact CB-OE2 3.21Å; R74-E132 VanDerWaalsContact CD-CB 3.46Å; R74-E132 WeakPolarHBondContact CD-OE2 3.32Å; R74-E132 HydrophobicContact CG-CB 4.06Å; S76-E132 PolarHBondContact OG-OE1 3.02Å; Q128-E132 HydrophobicContact CG-CG 4.38Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.5Å; Q128-E132 VanDerWaalsContact O-CG 3.27Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.06Å; E132-K136 WeakPolarHBondContact O-CB 3.37Å; E132-K136 PolarHBondContact O-N 3.28Å
133Y91.7Very high88.5Confident10 Ų1051.6 Ų51.64%0.03927%0.266CS..Hα-helixtrans-66.1-50.3174.8170.7-97.1000111.9N70 L71 G129 V130 I131 E135 K136 F137 I143 I147N70-Y133 HydrophobicContact CB-CD2 4.14Å; N70-Y133 HydrophobicContact CB-CE2 3.76Å; L71-Y133 HydrophobicContact CB-CD2 3.94Å; L71-Y133 HydrophobicContact CB-CE2 4.43Å; L71-Y133 HydrophobicContact CB-CG 4.22Å; L71-Y133 HydrophobicContact CD1-CG 4.08Å; G129-Y133 PolarHBondContact O-N 3.01Å; G129-Y133 VanDerWaalsContact O-N 3.13Å; V130-Y133 PolarHBondContact O-N 3.31Å; I131-Y133 PolarHBondContact O-N 2.88Å; Y133-E135 VanDerWaalsContact C-N 3.32Å; Y133-E135 PolarHBondContact O-N 3.43Å; Y133-K136 PolarHBondContact O-N 3.35Å; Y133-F137 HydrophobicContact CD2-CB 4.31Å; Y133-F137 AromaticContact CD2-CD2 3.87Å; Y133-F137 HydrophobicContact CD2-CD2 3.87Å; Y133-F137 HydrophobicContact CD2-CG 4.29Å; Y133-F137 HydrophobicContact CE2-CB 3.94Å; Y133-F137 HydrophobicContact CE2-CD2 4.14Å; Y133-F137 HydrophobicContact CE2-CG 4.1Å; Y133-F137 WeakPolarHBondContact O-CB 3.35Å; Y133-F137 PolarHBondContact O-N 3.34Å; Y133-I143 HydrophobicContact CE1-CG2 4.25Å; Y133-I143 WeakPolarHBondContact OH-CD1 3.46Å; Y133-I147 HydrophobicContact CD1-CD1 4.05Å; Y133-I147 HydrophobicContact CE1-CD1 3.88Å
134K88.6Confident88.4Confident63 Ų6350.5 Ų50.527%0.27426%0.259SS..Hα-helixtrans-58.8-42.4-178.8-172.1-176.3176.2-179.40112.3V130 I131 G138 M320V130-K134 WeakPolarHBondContact O-CB 3.32Å; V130-K134 PolarHBondContact O-N 3.3Å; I131-K134 PolarHBondContact O-N 3.11Å; I131-K134 VanDerWaalsContact O-N 3.08Å; K134-G138 CarbonylContact O-C 3.56Å; K134-G138 WeakPolarHBondContact O-CA 3.25Å; K134-G138 PolarHBondContact O-N 2.87Å; K134-M320 HydrophobicContact CB-CE 3.73Å; K134-M320 HydrophobicContact CD-CE 3.71Å; K134-M320 HydrophobicContact CG-CE 3.59Å; K134-M320 PolarHBondContact NZ-O 3.44Å
135E87.8Confident88.4Confident121 Ų12151 Ų5157%0.56526%0.261SS*.Hα-helixtrans-68.4-37.9-178.7-71.1177168.600112.2I131 Y133 R326I131-E135 HydrophobicContact CG2-CG 4.33Å; I131-E135 WeakPolarHBondContact O-CG 3.45Å; I131-E135 PolarHBondContact O-N 2.81Å; Y133-E135 VanDerWaalsContact C-N 3.32Å; Y133-E135 PolarHBondContact O-N 3.43Å; E135-R326 IonicContact OE1-CZ 2.75Å; E135-R326 IonicContact OE1-NH1 3.84Å; E135-R326 PolarHBondContact OE1-NH1 3.04Å
136K91.2Very high88.3Confident149 Ų14950.9 Ų50.965%0.64826%0.26SS*.Hα-helixtrans-85.4-33.6-175.7-174.7167.1173.4173.70113.8E132 Y133E132-K136 WeakPolarHBondContact O-CB 3.37Å; E132-K136 PolarHBondContact O-N 3.28Å; Y133-K136 PolarHBondContact O-N 3.35Å
137F90.1Very high88.3Confident84 Ų8450.9 Ų50.937%0.36826%0.26SS..Hα-helixtrans-115.6-5.2-172.5-65.2-86.1000113.7N70 Y133N70-F137 HydrophobicContact CB-CD1 4.3Å; N70-F137 HydrophobicContact CB-CD2 4.35Å; N70-F137 HydrophobicContact CB-CE1 4.09Å; N70-F137 HydrophobicContact CB-CE2 4.21Å; N70-F137 HydrophobicContact CB-CG 4.41Å; N70-F137 HydrophobicContact CB-CZ 4.04Å; N70-F137 WeakPolarHBondContact ND2-CE1 3.32Å; Y133-F137 HydrophobicContact CD2-CB 4.31Å; Y133-F137 AromaticContact CD2-CD2 3.87Å; Y133-F137 HydrophobicContact CD2-CD2 3.87Å; Y133-F137 HydrophobicContact CD2-CG 4.29Å; Y133-F137 HydrophobicContact CE2-CB 3.94Å; Y133-F137 HydrophobicContact CE2-CD2 4.14Å; Y133-F137 HydrophobicContact CE2-CG 4.1Å; Y133-F137 WeakPolarHBondContact O-CB 3.35Å; Y133-F137 PolarHBondContact O-N 3.34Å
138G86.4Confident88.5Confident33 Ų3352 Ų5234%0.3426%0.264SS..  trans80.2-166.8-177.100000113.3K134K134-G138 CarbonylContact O-C 3.56Å; K134-G138 WeakPolarHBondContact O-CA 3.25Å; K134-G138 PolarHBondContact O-N 2.87Å
139F83.4Confident88.8Confident112 Ų11252.2 Ų52.249%0.49126%0.263SS..  trans-109.8119.9178.6179.8-91.1000109.8P141 S144 M320F139-P141 HydrophobicContact CE1-CB 4.34Å; F139-P141 HydrophobicContact CE1-CG 4.06Å; F139-S144 VanDerWaalsContact CE2-CB 3.48Å; F139-S144 VanDerWaalsContact CE2-OG 3.22Å; F139-S144 WeakPolarHBondContact CE2-OG 3.43Å; F139-M320 HydrophobicContact CD2-CE 3.86Å; F139-M320 HydrophobicContact CD2-SD 4.44Å; F139-M320 HydrophobicContact CE2-CE 4.4Å; F139-M320 HydrophobicContact CE2-SD 4.41Å
140D84.6Confident89.1Confident70 Ų7052.2 Ų52.237%0.37426%0.263SS..  trans-111.4123.5170.1176.7-87.3000109F142 I143 S144D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 2.84Å; D140-F142 WeakPolarHBondContact OD1-CA 3.35Å; D140-F142 WeakPolarHBondContact OD1-CB 3.32Å; D140-F142 PolarHBondContact OD1-N 3.45Å; D140-I143 HydrophobicContact CB-CB 4.13Å; D140-I143 HydrophobicContact CB-CD1 4.02Å; D140-I143 HydrophobicContact CB-CG1 4.21Å; D140-I143 PolarHBondContact O-N 3.46Å; D140-I143 WeakPolarHBondContact OD1-CG1 3.42Å; D140-I143 PolarHBondContact OD1-N 2.75Å; D140-S144 VanDerWaalsContact O-CB 3.26Å; D140-S144 WeakPolarHBondContact O-CB 3.5Å; D140-S144 PolarHBondContact O-N 3.33Å
141P83.3Confident89.3Confident87 Ų8752.1 Ų52.157%0.56526%0.262SS*.Hα-helixtrans-58.9-39.7-176.9-24.633000113.6F139 S144 T145F139-P141 HydrophobicContact CE1-CB 4.34Å; F139-P141 HydrophobicContact CE1-CG 4.06Å; P141-S144 WeakPolarHBondContact O-CB 3.3Å; P141-S144 PolarHBondContact O-N 3.43Å; P141-T145 PolarHBondContact O-N 2.75Å; P141-T145 VanDerWaalsContact O-N 3.17Å
142F82.3Confident89.8Confident57 Ų5752.3 Ų52.325%0.2526%0.264CS..Hα-helixtrans-67.5-51.4-178.4173.1-95.2000110.5D140 S144 T145 N146 T398 P400D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 2.84Å; D140-F142 WeakPolarHBondContact OD1-CA 3.35Å; D140-F142 WeakPolarHBondContact OD1-CB 3.32Å; D140-F142 PolarHBondContact OD1-N 3.45Å; F142-S144 PolarHBondContact O-N 3.29Å; F142-T145 PolarHBondContact O-N 3.36Å; F142-T145 VanDerWaalsContact O-N 3.13Å; F142-T145 PolarHBondContact O-OG1 2.92Å; F142-N146 PolarHBondContact O-N 3.37Å; F142-T398 WeakPolarHBondContact CZ-O 3.49Å; F142-T398 WeakPolarHBondContact CZ-OG1 3.42Å; F142-P400 HydrophobicContact CB-CG 4.43Å; F142-P400 HydrophobicContact CD1-CG 4.47Å; F142-P400 HydrophobicContact CD2-CG 4.04Å; F142-P400 HydrophobicContact CG-CG 4.03Å
143I85.3Confident90.2Very high41 Ų4152.6 Ų52.621%0.2126%0.263CS..Hα-helixtrans-61.6-36.1176.2-61.9171.9000110.8P68 Y133 D140 T145 N146 I147P68-I143 HydrophobicContact CG-CG2 3.88Å; Y133-I143 HydrophobicContact CE1-CG2 4.25Å; Y133-I143 WeakPolarHBondContact OH-CD1 3.46Å; D140-I143 HydrophobicContact CB-CB 4.13Å; D140-I143 HydrophobicContact CB-CD1 4.02Å; D140-I143 HydrophobicContact CB-CG1 4.21Å; D140-I143 PolarHBondContact O-N 3.46Å; D140-I143 WeakPolarHBondContact OD1-CG1 3.42Å; D140-I143 PolarHBondContact OD1-N 2.75Å; I143-T145 VanDerWaalsContact C-N 3.31Å; I143-T145 PolarHBondContact O-N 2.96Å; I143-N146 PolarHBondContact O-N 2.77Å; I143-I147 HydrophobicContact CG2-CD1 3.74Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3Å
144S86.8Confident90.5Very high9 Ų952.2 Ų52.26%0.06326%0.262CS..Hα-helixtrans-60-39.1176.4-175.70000112.3F139 D140 P141 F142 N146 I147 Q148F139-S144 VanDerWaalsContact CE2-CB 3.48Å; F139-S144 VanDerWaalsContact CE2-OG 3.22Å; F139-S144 WeakPolarHBondContact CE2-OG 3.43Å; D140-S144 VanDerWaalsContact O-CB 3.26Å; D140-S144 WeakPolarHBondContact O-CB 3.5Å; D140-S144 PolarHBondContact O-N 3.33Å; P141-S144 WeakPolarHBondContact O-CB 3.3Å; P141-S144 PolarHBondContact O-N 3.43Å; F142-S144 PolarHBondContact O-N 3.29Å; S144-N146 VanDerWaalsContact C-N 3.35Å; S144-I147 PolarHBondContact O-N 3.36Å; S144-Q148 WeakPolarHBondContact O-CB 3.39Å; S144-Q148 PolarHBondContact O-N 3.46Å
145T87.9Confident91Very high83 Ų8349.3 Ų49.351%0.50925%0.249SC..Hα-helixtrans-66.8-37.2176.560.90000112.1P141 F142 I143 Q148 Y149P141-T145 PolarHBondContact O-N 2.75Å; P141-T145 VanDerWaalsContact O-N 3.17Å; F142-T145 PolarHBondContact O-N 3.36Å; F142-T145 VanDerWaalsContact O-N 3.13Å; F142-T145 PolarHBondContact O-OG1 2.92Å; I143-T145 VanDerWaalsContact C-N 3.31Å; I143-T145 PolarHBondContact O-N 2.96Å; T145-Q148 PolarHBondContact O-N 3.31Å; T145-Y149 WeakPolarHBondContact O-CB 3.36Å; T145-Y149 PolarHBondContact O-N 3.41Å
146N90.4Very high91.5Very high18 Ų1844.3 Ų44.310%0.09623%0.227CC..Hα-helixtrans-68.9-39.6175.6-74.60.8000112.4F142 I143 S144 F150 H395F142-N146 PolarHBondContact O-N 3.37Å; I143-N146 PolarHBondContact O-N 2.77Å; S144-N146 VanDerWaalsContact C-N 3.35Å; N146-F150 WeakPolarHBondContact O-CB 3.32Å; N146-F150 PolarHBondContact O-N 3.37Å; N146-H395 PolarHBondContact ND2-O 2.84Å; N146-H395 PolarHBondContact OD1-O 2.76Å
147I92.8Very high91.8Very high2 Ų237.3 Ų37.31%0.0120%0.197CC..Hα-helixtrans-63.7-43.9173.2-68.5172.5000109.9L71 V130 Y133 I143 S144 F150 L151 M320L71-I147 HydrophobicContact CD2-CD1 4Å; L71-I147 HydrophobicContact CD2-CG1 3.97Å; V130-I147 HydrophobicContact CG1-CG2 4.13Å; V130-I147 HydrophobicContact CG2-CG2 4.26Å; Y133-I147 HydrophobicContact CD1-CD1 4.05Å; Y133-I147 HydrophobicContact CE1-CD1 3.88Å; I143-I147 HydrophobicContact CG2-CD1 3.74Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3Å; S144-I147 PolarHBondContact O-N 3.36Å; I147-F150 PolarHBondContact O-N 3.28Å; I147-L151 HydrophobicContact CG2-CD1 3.61Å; I147-L151 HydrophobicContact CG2-CG 4.05Å; I147-L151 WeakPolarHBondContact O-CB 3.5Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 3.16Å; I147-M320 HydrophobicContact CD1-SD 4.43Å
148Q93.9Very high92.2Very high29 Ų2934.8 Ų34.814%0.13619%0.185CC..Hα-helixtrans-58.8-51.1176.3-174.166.635.500111.4S144 T145 F150 L151 D152 F317 N318 Y319S144-Q148 WeakPolarHBondContact O-CB 3.39Å; S144-Q148 PolarHBondContact O-N 3.46Å; T145-Q148 PolarHBondContact O-N 3.31Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; Q148-F150 PolarHBondContact O-N 2.77Å; Q148-L151 PolarHBondContact O-N 3.35Å; Q148-D152 PolarHBondContact NE2-OD1 3.37Å; Q148-D152 PolarHBondContact O-N 3.34Å; Q148-F317 PolarHBondContact NE2-O 3.38Å; Q148-N318 VanDerWaalsContact OE1-CA 3.3Å; Q148-Y319 VanDerWaalsContact NE2-CD2 3.29Å; Q148-Y319 VanDerWaalsContact OE1-CD2 3.27Å; Q148-Y319 VanDerWaalsContact OE1-N 3.1Å
149Y96.4Very high92.7Very high48 Ų4833.5 Ų33.519%0.18817%0.17CC..Hα-helixtrans-55.6-43.9177173.9-92.5000111.7T145 R153 A392 H395 Y396T145-Y149 WeakPolarHBondContact O-CB 3.36Å; T145-Y149 PolarHBondContact O-N 3.41Å; Y149-R153 WeakPolarHBondContact O-CD 3.42Å; Y149-R153 VanDerWaalsContact O-CG 3.26Å; Y149-R153 WeakPolarHBondContact O-CG 3.5Å; Y149-R153 PolarHBondContact O-N 2.91Å; Y149-R153 WeakPolarHBondContact OH-CD 3.48Å; Y149-R153 PolarHBondContact OH-NE 3.24Å; Y149-R153 PolarHBondContact OH-NH1 3.3Å; Y149-A392 WeakPolarHBondContact OH-CA 3.18Å; Y149-H395 HydrophobicContact CD1-CB 3.98Å; Y149-H395 HydrophobicContact CD2-CB 4.44Å; Y149-H395 HydrophobicContact CE1-CB 3.73Å; Y149-H395 HydrophobicContact CE2-CB 4.2Å; Y149-H395 AromaticContact CE2-CD2 3.63Å; Y149-H395 AromaticContact CE2-CG 3.68Å; Y149-H395 AromaticContact CE2-ND1 3.92Å; Y149-H395 AromaticContact CE2-NE2 3.88Å; Y149-H395 HydrophobicContact CG-CB 4.34Å; Y149-H395 AromaticContact CZ-CD2 3.61Å; Y149-H395 AromaticContact CZ-CG 3.71Å; Y149-Y396 HydrophobicContact CD1-CE1 4.26Å; Y149-Y396 HydrophobicContact CD1-CE2 4.16Å; Y149-Y396 AromaticContact CD1-CZ 3.76Å; Y149-Y396 AromaticContact CE1-CE2 3.73Å; Y149-Y396 HydrophobicContact CE1-CE2 3.73Å; Y149-Y396 AromaticContact CE1-CZ 3.77Å
150F97.5Very high93.4Very high1 Ų128.1 Ų28.10%0.00415%0.146CC..Hα-helixtrans-63.6-50.9176.1167.4-99.6000112.6E63 V64 L67 M126 N146 I147 Q148 D152 R153 F154 Y396E63-F150 HydrophobicContact CB-CD2 4.38Å; V64-F150 HydrophobicContact CB-CE2 4.2Å; V64-F150 HydrophobicContact CB-CZ 4.48Å; V64-F150 HydrophobicContact CG2-CE2 3.56Å; V64-F150 HydrophobicContact CG2-CZ 3.69Å; L67-F150 HydrophobicContact CD1-CD1 3.97Å; L67-F150 HydrophobicContact CD1-CD2 4.29Å; L67-F150 HydrophobicContact CD1-CE1 3.81Å; L67-F150 HydrophobicContact CD1-CE2 4.12Å; L67-F150 HydrophobicContact CD1-CG 4.23Å; L67-F150 HydrophobicContact CD1-CZ 3.89Å; L67-F150 HydrophobicContact CD2-CB 3.86Å; L67-F150 HydrophobicContact CD2-CD1 3.92Å; L67-F150 HydrophobicContact CD2-CD2 4.09Å; L67-F150 HydrophobicContact CD2-CG 3.65Å; L67-F150 HydrophobicContact CG-CD1 4.43Å; L67-F150 HydrophobicContact CG-CD2 4.26Å; L67-F150 HydrophobicContact CG-CE2 4.48Å; L67-F150 HydrophobicContact CG-CG 4.25Å; M126-F150 HydrophobicContact CE-CD1 4.45Å; M126-F150 HydrophobicContact CE-CE1 3.65Å; M126-F150 HydrophobicContact CE-CZ 4.42Å; M126-F150 HydrophobicContact SD-CE1 4.32Å; N146-F150 WeakPolarHBondContact O-CB 3.32Å; N146-F150 PolarHBondContact O-N 3.37Å; I147-F150 PolarHBondContact O-N 3.28Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; Q148-F150 PolarHBondContact O-N 2.77Å; F150-D152 PolarHBondContact O-N 2.69Å; F150-R153 PolarHBondContact O-N 3Å; F150-F154 HydrophobicContact CD1-CB 4.48Å; F150-F154 HydrophobicContact CE1-CB 3.99Å; F150-F154 HydrophobicContact CE1-CD2 4.33Å; F150-F154 HydrophobicContact CE1-CG 4.08Å; F150-F154 HydrophobicContact CE2-CB 4.05Å; F150-F154 HydrophobicContact CE2-CD2 4.09Å; F150-F154 HydrophobicContact CE2-CG 4.37Å; F150-F154 HydrophobicContact CZ-CB 3.75Å; F150-F154 AromaticContact CZ-CD2 3.54Å; F150-F154 HydrophobicContact CZ-CD2 3.54Å; F150-F154 HydrophobicContact CZ-CE2 4.32Å; F150-F154 AromaticContact CZ-CG 3.72Å; F150-F154 HydrophobicContact CZ-CG 3.72Å; F150-F154 WeakPolarHBondContact O-CB 3.18Å; F150-F154 PolarHBondContact O-N 2.64Å; F150-Y396 WeakPolarHBondContact CA-OH 3.42Å; F150-Y396 HydrophobicContact CB-CE1 4Å; F150-Y396 WeakPolarHBondContact CB-OH 3.09Å
151L97.6Very high93.8Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-64.7-41.8-174.2-70.5174.1000111.4M126 V130 I147 Q148 R153 F154 Y155 Y319M126-L151 HydrophobicContact CE-CD2 4.27Å; M126-L151 HydrophobicContact CG-CD2 3.92Å; V130-L151 HydrophobicContact CG2-CD1 4.21Å; V130-L151 HydrophobicContact CG2-CD2 4.29Å; I147-L151 HydrophobicContact CG2-CD1 3.61Å; I147-L151 HydrophobicContact CG2-CG 4.05Å; I147-L151 WeakPolarHBondContact O-CB 3.5Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 3.16Å; Q148-L151 PolarHBondContact O-N 3.35Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 2.98Å; L151-F154 PolarHBondContact O-N 3.48Å; L151-Y155 HydrophobicContact CB-CD2 4.09Å; L151-Y155 HydrophobicContact CB-CE2 3.88Å; L151-Y155 HydrophobicContact CD2-CE2 3.69Å; L151-Y155 HydrophobicContact CG-CE2 4.25Å; L151-Y155 WeakPolarHBondContact O-CB 3.31Å; L151-Y155 WeakPolarHBondContact O-CD2 3.48Å; L151-Y155 PolarHBondContact O-N 3.41Å; L151-Y319 HydrophobicContact CB-CD2 3.45Å; L151-Y319 VanDerWaalsContact CB-CD2 3.45Å; L151-Y319 HydrophobicContact CB-CE2 3.31Å; L151-Y319 HydrophobicContact CB-CG 4.21Å; L151-Y319 HydrophobicContact CD1-CD1 4.4Å; L151-Y319 HydrophobicContact CD1-CD2 3.44Å; L151-Y319 VanDerWaalsContact CD1-CD2 3.44Å; L151-Y319 HydrophobicContact CD1-CE2 4.2Å; L151-Y319 HydrophobicContact CD1-CG 3.56Å; L151-Y319 HydrophobicContact CG-CD2 4.1Å; L151-Y319 HydrophobicContact CG-CE2 4.41Å
152D98.1Very high94.4Very high43 Ų4326.1 Ų26.123%0.2312%0.123CC..Hα-helixtrans-52.7-48.2174.1-81.56.8000110.6Q148 F150 T156 Y319 L349Q148-D152 PolarHBondContact NE2-OD1 3.37Å; Q148-D152 PolarHBondContact O-N 3.34Å; F150-D152 PolarHBondContact O-N 2.69Å; D152-T156 VanDerWaalsContact O-CB 3.27Å; D152-T156 WeakPolarHBondContact O-CB 3.44Å; D152-T156 PolarHBondContact O-N 2.71Å; D152-T156 PolarHBondContact O-OG1 2.96Å; D152-Y319 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y319 WeakPolarHBondContact OD1-CE2 3.35Å; D152-Y319 PolarHBondContact OD1-OH 3.11Å; D152-L349 HydrophobicContact CB-CD2 4.06Å; D152-L349 WeakPolarHBondContact O-CD1 3.38Å
153R98.5Very high95.1Very high44 Ų4423.4 Ų23.417%0.16611%0.111CC..Hα-helixtrans-73-44.8-177.9-67.6171.762.385.50.8112.1E63 Y149 F150 L151 Y155 T156 N157 P386 V387E63-R153 IonicContact OE1-CZ 3.23Å; E63-R153 IonicContact OE1-NE 2.8Å; E63-R153 PolarHBondContact OE1-NE 3.17Å; E63-R153 IonicContact OE1-NH2 3.55Å; E63-R153 PolarHBondContact OE1-NH2 3.31Å; E63-R153 IonicContact OE2-CZ 3.44Å; E63-R153 IonicContact OE2-NE 3.45Å; E63-R153 PolarHBondContact OE2-NE 2.99Å; E63-R153 IonicContact OE2-NH2 2.74Å; E63-R153 PolarHBondContact OE2-NH2 3.43Å; Y149-R153 WeakPolarHBondContact O-CD 3.42Å; Y149-R153 VanDerWaalsContact O-CG 3.26Å; Y149-R153 WeakPolarHBondContact O-CG 3.5Å; Y149-R153 PolarHBondContact O-N 2.91Å; Y149-R153 WeakPolarHBondContact OH-CD 3.48Å; Y149-R153 PolarHBondContact OH-NE 3.24Å; Y149-R153 PolarHBondContact OH-NH1 3.3Å; F150-R153 PolarHBondContact O-N 3Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 2.98Å; R153-Y155 PolarHBondContact O-N 3.45Å; R153-T156 PolarHBondContact O-N 2.83Å; R153-N157 PolarHBondContact O-N 2.93Å; R153-P386 HydrophobicContact CB-CB 3.77Å; R153-P386 HydrophobicContact CB-CG 4.41Å; R153-P386 HydrophobicContact CG-CB 4.04Å; R153-P386 WeakPolarHBondContact O-CG 3.32Å; R153-V387 VanDerWaalsContact NH2-C 3.26Å; R153-V387 PolarHBondContact NH2-O 3.24Å
154F98.4Very high95.8Very high2 Ų221.7 Ų21.71%0.00910%0.102CC..Hα-helixtrans-57.1-50.2178.4177.2-98.1000111.2T60 V64 V80 Y84 V122 M126 F150 L151 N157 R158T60-F154 HydrophobicContact CG2-CD2 3.4Å; T60-F154 HydrophobicContact CG2-CE2 3.84Å; T60-F154 HydrophobicContact CG2-CG 4.47Å; V64-F154 HydrophobicContact CG2-CD2 4.35Å; V64-F154 HydrophobicContact CG2-CE2 4.43Å; V80-F154 HydrophobicContact CG1-CE2 4.08Å; V80-F154 HydrophobicContact CG1-CZ 3.67Å; Y84-F154 HydrophobicContact CE1-CE2 4.14Å; Y84-F154 AromaticContact CE2-CE2 3.92Å; Y84-F154 HydrophobicContact CE2-CE2 3.92Å; Y84-F154 AromaticContact CE2-CZ 3.89Å; Y84-F154 HydrophobicContact CE2-CZ 3.89Å; Y84-F154 AromaticContact CZ-CE2 3.54Å; Y84-F154 AromaticContact CZ-CZ 3.79Å; Y84-F154 VanDerWaalsContact OH-CE2 3.3Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.45Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.37Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.45Å; V122-F154 VanDerWaalsContact CG1-CZ 3.45Å; M126-F154 HydrophobicContact CB-CE1 4.04Å; M126-F154 HydrophobicContact CG-CD1 4.31Å; M126-F154 HydrophobicContact CG-CE1 3.96Å; M126-F154 HydrophobicContact CG-CZ 4.49Å; F150-F154 HydrophobicContact CD1-CB 4.48Å; F150-F154 HydrophobicContact CE1-CB 3.99Å; F150-F154 HydrophobicContact CE1-CD2 4.33Å; F150-F154 HydrophobicContact CE1-CG 4.08Å; F150-F154 HydrophobicContact CE2-CB 4.05Å; F150-F154 HydrophobicContact CE2-CD2 4.09Å; F150-F154 HydrophobicContact CE2-CG 4.37Å; F150-F154 HydrophobicContact CZ-CB 3.75Å; F150-F154 AromaticContact CZ-CD2 3.54Å; F150-F154 HydrophobicContact CZ-CD2 3.54Å; F150-F154 HydrophobicContact CZ-CE2 4.32Å; F150-F154 AromaticContact CZ-CG 3.72Å; F150-F154 HydrophobicContact CZ-CG 3.72Å; F150-F154 WeakPolarHBondContact O-CB 3.18Å; F150-F154 PolarHBondContact O-N 2.64Å; L151-F154 PolarHBondContact O-N 3.48Å; F154-N157 PolarHBondContact O-N 3.37Å; F154-R158 PolarHBondContact O-N 3.19Å
155Y98.2Very high96.3Very high3 Ų321.2 Ų21.21%0.01210%0.099CC..Hα-helixtrans-72.8-34.2-179.9-65.5-48.8000113V123 M126 L151 R153 N157 R158 I159 Y319 Y342 I346 L349V123-Y155 HydrophobicContact CB-CE1 4.18Å; V123-Y155 HydrophobicContact CG1-CE1 4.24Å; V123-Y155 HydrophobicContact CG2-CD1 3.81Å; V123-Y155 HydrophobicContact CG2-CE1 3.74Å; M126-Y155 HydrophobicContact CB-CE1 4.46Å; M126-Y155 WeakPolarHBondContact CB-OH 3.45Å; L151-Y155 HydrophobicContact CB-CD2 4.09Å; L151-Y155 HydrophobicContact CB-CE2 3.88Å; L151-Y155 HydrophobicContact CD2-CE2 3.69Å; L151-Y155 HydrophobicContact CG-CE2 4.25Å; L151-Y155 WeakPolarHBondContact O-CB 3.31Å; L151-Y155 WeakPolarHBondContact O-CD2 3.48Å; L151-Y155 PolarHBondContact O-N 3.41Å; R153-Y155 PolarHBondContact O-N 3.45Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 3.05Å; Y155-R158 WeakPolarHBondContact O-CB 3.48Å; Y155-R158 PolarHBondContact O-N 3.42Å; Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 2.95Å; Y155-Y319 AromaticContact CD2-CE1 3.92Å; Y155-Y319 HydrophobicContact CD2-CE1 3.92Å; Y155-Y319 AromaticContact CD2-CZ 3.77Å; Y155-Y319 HydrophobicContact CE2-CD1 4.39Å; Y155-Y319 AromaticContact CE2-CE1 3.89Å; Y155-Y319 HydrophobicContact CE2-CE1 3.89Å; Y155-Y342 HydrophobicContact CE2-CD1 4.1Å; Y155-Y342 AromaticContact CE2-CE1 3.59Å; Y155-Y342 HydrophobicContact CE2-CE1 3.59Å; Y155-Y342 AromaticContact CZ-CE1 3.74Å; Y155-Y342 VanDerWaalsContact OH-CE1 3.3Å; Y155-Y342 WeakPolarHBondContact OH-CE1 3.34Å; Y155-I346 HydrophobicContact CD1-CD1 4.35Å; Y155-I346 HydrophobicContact CD2-CD1 3.5Å; Y155-I346 VanDerWaalsContact CD2-CD1 3.5Å; Y155-I346 HydrophobicContact CE2-CD1 4.16Å; Y155-I346 HydrophobicContact CG-CD1 3.61Å; Y155-L349 VanDerWaalsContact CB-CD1 3.48Å
156T98.6Very high96.7Very high16 Ų1618.8 Ų18.810%0.0988%0.083CC..Hα-helixtrans-59.4-44.3171.7-60.40000110.9D152 R153 R158 I159 S160 Y353 R384D152-T156 VanDerWaalsContact O-CB 3.27Å; D152-T156 WeakPolarHBondContact O-CB 3.44Å; D152-T156 PolarHBondContact O-N 2.71Å; D152-T156 PolarHBondContact O-OG1 2.96Å; R153-T156 PolarHBondContact O-N 2.83Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.09Å; T156-I159 PolarHBondContact O-N 3.26Å; T156-S160 PolarHBondContact O-N 2.86Å; T156-Y353 HydrophobicContact CG2-CD2 4.31Å; T156-R384 WeakPolarHBondContact CG2-O 3.46Å
157N98.1Very high96.9Very high2 Ų218.4 Ų18.41%0.0118%0.08CC..Hα-helixtrans-65.2-37.8177.2-155.940.9000111.9R56 T60 R153 F154 Y155 S160 F161 P386R56-N157 PolarHBondContact O-ND2 3.11Å; T60-N157 WeakPolarHBondContact OG1-CB 3.22Å; T60-N157 PolarHBondContact OG1-ND2 3.03Å; R153-N157 PolarHBondContact O-N 2.93Å; F154-N157 PolarHBondContact O-N 3.37Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 3.05Å; N157-S160 WeakPolarHBondContact O-CB 3.17Å; N157-S160 PolarHBondContact O-N 2.89Å; N157-S160 PolarHBondContact O-OG 2.86Å; N157-S160 PolarHBondContact OD1-OG 3.33Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.76Å; N157-P386 HydrophobicContact CB-CG 3.77Å
158R96.9Very high97.2Very high30 Ų3018.4 Ų18.411%0.1138%0.08CC..Hα-helixtrans-61.1-43.1174.4-175.1-72.7-128.5-78.80.1112.1H119 N120 F154 Y155 T156 S160 F161 R162H119-R158 PolarHBondContact O-NH1 3.42Å; N120-R158 PolarHBondContact O-NH2 2.87Å; F154-R158 PolarHBondContact O-N 3.19Å; Y155-R158 WeakPolarHBondContact O-CB 3.48Å; Y155-R158 PolarHBondContact O-N 3.42Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.09Å; R158-S160 VanDerWaalsContact C-N 3.3Å; R158-F161 PolarHBondContact O-N 3.09Å; R158-R162 PolarHBondContact O-N 3.02Å
159I97.8Very high97.3Very high6 Ų617.7 Ų17.73%0.0318%0.078CC..Hα-helixtrans-58-48.7174.1-68.6165000108.9Y155 T156 F161 R162 M163 L349 Y350 Y353Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 2.95Å; T156-I159 PolarHBondContact O-N 3.26Å; I159-F161 VanDerWaalsContact C-N 3.33Å; I159-F161 PolarHBondContact O-N 3.47Å; I159-R162 PolarHBondContact O-N 3.42Å; I159-M163 WeakPolarHBondContact O-CB 3.34Å; I159-M163 PolarHBondContact O-N 3.04Å; I159-L349 HydrophobicContact CD1-CB 3.97Å; I159-Y350 HydrophobicContact CB-CE1 4.43Å; I159-Y350 HydrophobicContact CD1-CD1 3.93Å; I159-Y350 HydrophobicContact CD1-CD2 4.17Å; I159-Y350 HydrophobicContact CD1-CE1 3.94Å; I159-Y350 HydrophobicContact CD1-CE2 4.2Å; I159-Y350 HydrophobicContact CD1-CG 4.05Å; I159-Y350 HydrophobicContact CG1-CD1 4.26Å; I159-Y350 HydrophobicContact CG1-CE1 3.8Å; I159-Y350 HydrophobicContact CG1-CE2 4.49Å; I159-Y350 HydrophobicContact CG2-CD1 3.99Å; I159-Y350 HydrophobicContact CG2-CE1 3.8Å; I159-Y353 HydrophobicContact CG2-CD1 3.81Å; I159-Y353 HydrophobicContact CG2-CD2 4.23Å; I159-Y353 HydrophobicContact CG2-CE1 3.99Å; I159-Y353 HydrophobicContact CG2-CE2 4.4Å; I159-Y353 HydrophobicContact CG2-CG 3.92Å
160S98.3Very high97.2Very high0 Ų019.9 Ų19.90%09%0.092CC..Hα-helixtrans-62.6-39-179.292.70000113.9R56 T156 N157 R158 M163 L164 Y353 L385R56-S160 PolarHBondContact NH1-OG 3.1Å; T156-S160 PolarHBondContact O-N 2.86Å; N157-S160 WeakPolarHBondContact O-CB 3.17Å; N157-S160 PolarHBondContact O-N 2.89Å; N157-S160 PolarHBondContact O-OG 2.86Å; N157-S160 PolarHBondContact OD1-OG 3.33Å; R158-S160 VanDerWaalsContact C-N 3.3Å; S160-M163 WeakPolarHBondContact O-CB 3.26Å; S160-M163 PolarHBondContact O-N 3.04Å; S160-L164 WeakPolarHBondContact O-CG 3.34Å; S160-L164 PolarHBondContact O-N 3.44Å; S160-Y353 VanDerWaalsContact CA-OH 3.28Å; S160-Y353 WeakPolarHBondContact CA-OH 3.31Å; S160-Y353 VanDerWaalsContact CB-CE2 3.47Å; S160-L385 VanDerWaalsContact CB-CD2 3.4Å
161F93.1Very high97Very high11 Ų1122.1 Ų22.15%0.04810%0.104CC..Hα-helixtrans-67.5-42.1179.7-168.9-95.9000111L53 L57 L91 V115 N157 R158 I159 I165L53-F161 HydrophobicContact CB-CE2 3.82Å; L53-F161 HydrophobicContact CD2-CD2 3.52Å; L53-F161 HydrophobicContact CD2-CE2 3.5Å; L53-F161 HydrophobicContact CD2-CG 4.26Å; L53-F161 HydrophobicContact CD2-CZ 4.24Å; L53-F161 HydrophobicContact CG-CE2 4.16Å; L57-F161 HydrophobicContact CD1-CE2 3.84Å; L57-F161 HydrophobicContact CD1-CZ 4.06Å; L57-F161 HydrophobicContact CD2-CD2 4.32Å; L57-F161 HydrophobicContact CD2-CE2 3.83Å; L57-F161 HydrophobicContact CD2-CZ 4.11Å; L57-F161 HydrophobicContact CG-CD2 4.32Å; L57-F161 HydrophobicContact CG-CE2 3.65Å; L57-F161 HydrophobicContact CG-CZ 4.22Å; L91-F161 HydrophobicContact CD1-CZ 4.37Å; V115-F161 HydrophobicContact CG1-CE1 3.54Å; V115-F161 HydrophobicContact CG1-CZ 3.61Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.76Å; R158-F161 PolarHBondContact O-N 3.09Å; I159-F161 VanDerWaalsContact C-N 3.33Å; I159-F161 PolarHBondContact O-N 3.47Å; F161-I165 HydrophobicContact CD1-CD1 3.71Å; F161-I165 HydrophobicContact CE1-CD1 3.3Å; F161-I165 HydrophobicContact CE1-CG1 4.48Å; F161-I165 HydrophobicContact CZ-CD1 3.86Å; F161-I165 WeakPolarHBondContact O-CG1 3.24Å; F161-I165 PolarHBondContact O-N 3.23Å; F161-I165 VanDerWaalsContact O-N 3.12Å
162R95.8Very high97Very high103 Ų10323.7 Ų23.739%0.38911%0.111SC..Hα-helixtrans-66-38.6173.7-170.1171.6-174.3166.9-0.5111.7R158 I159 I165 N166R158-R162 PolarHBondContact O-N 3.02Å; I159-R162 PolarHBondContact O-N 3.42Å; R162-I165 PolarHBondContact O-N 3.19Å; R162-N166 WeakPolarHBondContact O-CB 3.37Å; R162-N166 PolarHBondContact O-N 3.37Å
163M97.8Very high96.6Very high1 Ų123.5 Ų23.51%0.00512%0.119CC..Hα-helixtrans-58.1-51.5176-176.162.9-163.600111.3F32 I159 S160 N166 Q167 I187 V253 Y353 F354F32-M163 HydrophobicContact CD2-CE 4.31Å; F32-M163 HydrophobicContact CE2-CE 4.42Å; F32-M163 HydrophobicContact CE2-CG 4.42Å; F32-M163 HydrophobicContact CG-CE 4.44Å; F32-M163 HydrophobicContact CZ-CG 4.23Å; I159-M163 WeakPolarHBondContact O-CB 3.34Å; I159-M163 PolarHBondContact O-N 3.04Å; S160-M163 WeakPolarHBondContact O-CB 3.26Å; S160-M163 PolarHBondContact O-N 3.04Å; M163-N166 PolarHBondContact O-N 3.3Å; M163-Q167 HydrophobicContact CE-CG 3.74Å; M163-Q167 WeakPolarHBondContact O-CG 3.39Å; M163-Q167 PolarHBondContact O-N 2.91Å; M163-I187 HydrophobicContact CE-CD1 3.79Å; M163-I187 HydrophobicContact CE-CG1 3.82Å; M163-V253 HydrophobicContact CE-CG2 3.81Å; M163-V253 HydrophobicContact SD-CG2 3.93Å; M163-Y353 HydrophobicContact CB-CE1 4.43Å; M163-Y353 WeakPolarHBondContact CB-OH 3.47Å; M163-Y353 HydrophobicContact CG-CE1 4.38Å; M163-F354 HydrophobicContact CE-CZ 4.5Å
164L98.4Very high95.8Very high4 Ų424.5 Ų24.52%0.02114%0.143CC..Hα-helixtrans-61.3-47.2179.2-72.7-173.9000113.1L27 F32 F48 L49 E52 L53 R56 S160 H168L27-L164 HydrophobicContact CD1-CD2 4.12Å; F32-L164 HydrophobicContact CE1-CD2 3.74Å; F32-L164 HydrophobicContact CZ-CD2 3.73Å; F48-L164 HydrophobicContact CE1-CD1 4.47Å; F48-L164 HydrophobicContact CE1-CD2 4.08Å; L49-L164 HydrophobicContact CD2-CB 3.73Å; L49-L164 HydrophobicContact CD2-CD1 3.86Å; L49-L164 HydrophobicContact CD2-CD2 4.07Å; L49-L164 HydrophobicContact CD2-CG 4.11Å; E52-L164 HydrophobicContact CG-CD1 3.92Å; L53-L164 HydrophobicContact CD2-CB 4.04Å; L53-L164 HydrophobicContact CD2-CD1 3.81Å; R56-L164 VanDerWaalsContact CZ-CD1 3.41Å; S160-L164 WeakPolarHBondContact O-CG 3.34Å; S160-L164 PolarHBondContact O-N 3.44Å; L164-H168 PolarHBondContact O-N 3.02Å
165I97.6Very high95.1Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-64.3-46.3179.5-69.8175.3000110.5L53 L112 V115 R116 F161 R162 Q167 H168 T169L53-I165 HydrophobicContact CD1-CG1 4.26Å; L53-I165 HydrophobicContact CD2-CG1 4.39Å; L112-I165 HydrophobicContact CB-CG1 4.5Å; L112-I165 HydrophobicContact CB-CG2 4.02Å; L112-I165 HydrophobicContact CD2-CG1 4.27Å; V115-I165 HydrophobicContact CG1-CD1 4.23Å; R116-I165 HydrophobicContact CB-CG2 4.06Å; R116-I165 HydrophobicContact CG-CG2 4.46Å; F161-I165 HydrophobicContact CD1-CD1 3.71Å; F161-I165 HydrophobicContact CE1-CD1 3.3Å; F161-I165 HydrophobicContact CE1-CG1 4.48Å; F161-I165 HydrophobicContact CZ-CD1 3.86Å; F161-I165 WeakPolarHBondContact O-CG1 3.24Å; F161-I165 PolarHBondContact O-N 3.23Å; F161-I165 VanDerWaalsContact O-N 3.12Å; R162-I165 PolarHBondContact O-N 3.19Å; I165-Q167 PolarHBondContact O-N 3.31Å; I165-H168 PolarHBondContact O-N 3.36Å; I165-T169 HydrophobicContact CG2-CG2 3.96Å; I165-T169 WeakPolarHBondContact O-CG2 3.37Å; I165-T169 PolarHBondContact O-N 3.06Å; I165-T169 PolarHBondContact O-OG1 3.44Å; I165-T169 VanDerWaalsContact O-OG1 3.07Å
166N95.6Very high94Very high32 Ų3235.6 Ų35.617%0.17121%0.208CC..Hα-helixtrans-59.4-45.6-179.6-78.5-1.7000111.5R162 M163 H168 T169 L170R162-N166 WeakPolarHBondContact O-CB 3.37Å; R162-N166 PolarHBondContact O-N 3.37Å; M163-N166 PolarHBondContact O-N 3.3Å; N166-H168 VanDerWaalsContact C-N 3.32Å; N166-H168 PolarHBondContact O-N 3.45Å; N166-T169 WeakPolarHBondContact CA-OG1 3.26Å; N166-T169 PolarHBondContact O-N 2.91Å; N166-T169 PolarHBondContact O-OG1 2.86Å; N166-L170 HydrophobicContact CB-CD1 4.4Å; N166-L170 VanDerWaalsContact O-CB 3.26Å; N166-L170 WeakPolarHBondContact O-CB 3.27Å; N166-L170 VanDerWaalsContact O-CG 3.24Å; N166-L170 WeakPolarHBondContact O-CG 3.35Å; N166-L170 PolarHBondContact O-N 3.19Å
167Q96.2Very high93.2Very high9 Ų941.1 Ų41.14%0.04224%0.237CC..Hα-helixtrans-56.4-46.7176.7-74.3-59112.900111.6F32 M163 I165 L171 I184 S186F32-Q167 HydrophobicContact CD1-CG 3.88Å; F32-Q167 HydrophobicContact CE1-CG 4.12Å; M163-Q167 HydrophobicContact CE-CG 3.74Å; M163-Q167 WeakPolarHBondContact O-CG 3.39Å; M163-Q167 PolarHBondContact O-N 2.91Å; I165-Q167 PolarHBondContact O-N 3.31Å; Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 WeakPolarHBondContact O-CD1 3.45Å; Q167-L171 VanDerWaalsContact O-CG 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.39Å; Q167-L171 PolarHBondContact O-N 3.31Å; Q167-L171 VanDerWaalsContact O-N 3.11Å; Q167-I184 PolarHBondContact NE2-O 3.24Å; Q167-I184 VanDerWaalsContact NE2-O 3.12Å; Q167-S186 PolarHBondContact OE1-OG 3.01Å
168H97.8Very high92.3Very high2 Ų243.8 Ų43.81%0.00925%0.254CS..Hα-helixtrans-65.8-47.8179.2-169.591.4000112.1S45 L49 L112 L164 I165 N166 L170 L171 F172S45-H168 WeakPolarHBondContact CB-ND1 3.31Å; S45-H168 PolarHBondContact OG-ND1 3.11Å; L49-H168 HydrophobicContact CD1-CB 3.56Å; L112-H168 HydrophobicContact CD1-CB 3.95Å; L112-H168 VanDerWaalsContact CD1-CD2 3.48Å; L112-H168 WeakPolarHBondContact CD1-CD2 3.37Å; L164-H168 PolarHBondContact O-N 3.02Å; I165-H168 PolarHBondContact O-N 3.36Å; N166-H168 VanDerWaalsContact C-N 3.32Å; N166-H168 PolarHBondContact O-N 3.45Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 2.77Å; H168-L171 PolarHBondContact O-N 2.8Å; H168-F172 HydrophobicContact CB-CD2 4.49Å; H168-F172 AromaticContact CE1-CD2 3.65Å; H168-F172 AromaticContact CG-CD2 3.81Å; H168-F172 AromaticContact ND1-CD2 3.51Å; H168-F172 AromaticContact ND1-CE2 3.81Å; H168-F172 WeakPolarHBondContact O-CB 3.49Å; H168-F172 VanDerWaalsContact O-CD2 3.28Å; H168-F172 WeakPolarHBondContact O-CD2 3.42Å; H168-F172 PolarHBondContact O-N 3.09Å
169T96Very high91.4Very high14 Ų1446.9 Ų46.99%0.08628%0.276CS..Hα-helixtrans-67.5-32.5-177.6560000112.8L109 L112 I113 I165 N166 G173L109-T169 HydrophobicContact CD1-CG2 3.84Å; L112-T169 HydrophobicContact CB-CG2 4.42Å; I113-T169 HydrophobicContact CG1-CG2 3.96Å; I165-T169 HydrophobicContact CG2-CG2 3.96Å; I165-T169 WeakPolarHBondContact O-CG2 3.37Å; I165-T169 PolarHBondContact O-N 3.06Å; I165-T169 PolarHBondContact O-OG1 3.44Å; I165-T169 VanDerWaalsContact O-OG1 3.07Å; N166-T169 WeakPolarHBondContact CA-OG1 3.26Å; N166-T169 PolarHBondContact O-N 2.91Å; N166-T169 PolarHBondContact O-OG1 2.86Å; T169-G173 WeakPolarHBondContact O-CA 3.45Å; T169-G173 PolarHBondContact O-N 2.83Å
170L94.4Very high90.7Very high94 Ų9450.2 Ų50.249%0.49229%0.291SS..Hα-helixtrans-78.2-32.9178.8-70.6167.8000112N166 H168 G185N166-L170 HydrophobicContact CB-CD1 4.4Å; N166-L170 VanDerWaalsContact O-CB 3.26Å; N166-L170 WeakPolarHBondContact O-CB 3.27Å; N166-L170 VanDerWaalsContact O-CG 3.24Å; N166-L170 WeakPolarHBondContact O-CG 3.35Å; N166-L170 PolarHBondContact O-N 3.19Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 2.77Å; L170-G185 VanDerWaalsContact CD1-C 3.47Å
171L94.7Very high90Very high49 Ų4955.2 Ų55.226%0.25732%0.324SS..Hα-helixtrans-79.9-36178.3-69.8171.5000113F35 Q167 H168 I184F35-L171 HydrophobicContact CD1-CD1 4.41Å; F35-L171 HydrophobicContact CE1-CD1 4.31Å; Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 WeakPolarHBondContact O-CD1 3.45Å; Q167-L171 VanDerWaalsContact O-CG 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.39Å; Q167-L171 PolarHBondContact O-N 3.31Å; Q167-L171 VanDerWaalsContact O-N 3.11Å; H168-L171 PolarHBondContact O-N 2.8Å; L171-I184 HydrophobicContact CD2-CG2 4.36Å
172F95.9Very high89.7Confident33 Ų3363 Ų6315%0.14536%0.358CS..Hα-helixtrans-119.40.8-170.5-49.1-61.2000113.7F35 A40 E42 H168 G174F35-F172 HydrophobicContact CE1-CE2 4.31Å; F35-F172 HydrophobicContact CE1-CZ 4.04Å; F35-F172 HydrophobicContact CZ-CZ 4.19Å; A40-F172 WeakPolarHBondContact O-CE1 3.4Å; E42-F172 HydrophobicContact CB-CD1 3.7Å; E42-F172 HydrophobicContact CB-CD2 4.41Å; E42-F172 HydrophobicContact CB-CE1 3.84Å; E42-F172 HydrophobicContact CB-CG 4.01Å; E42-F172 HydrophobicContact CB-CZ 4.26Å; E42-F172 HydrophobicContact CG-CB 4.13Å; E42-F172 HydrophobicContact CG-CD1 4.02Å; E42-F172 HydrophobicContact CG-CD2 4.11Å; E42-F172 HydrophobicContact CG-CG 3.8Å; H168-F172 HydrophobicContact CB-CD2 4.49Å; H168-F172 AromaticContact CE1-CD2 3.65Å; H168-F172 AromaticContact CG-CD2 3.81Å; H168-F172 AromaticContact ND1-CD2 3.51Å; H168-F172 AromaticContact ND1-CE2 3.81Å; H168-F172 WeakPolarHBondContact O-CB 3.49Å; H168-F172 VanDerWaalsContact O-CD2 3.28Å; H168-F172 WeakPolarHBondContact O-CD2 3.42Å; H168-F172 PolarHBondContact O-N 3.09Å; F172-G174 PolarHBondContact O-N 3.39Å; F172-G174 VanDerWaalsContact O-N 3.14Å
173G90.6Very high89.5Confident38 Ų3860 Ų6039%0.39235%0.348SS..SBendtrans-69.8-5.9-177.600000115.6T169 D175T169-G173 WeakPolarHBondContact O-CA 3.45Å; T169-G173 PolarHBondContact O-N 2.83Å; G173-D175 PolarHBondContact O-N 3.36Å
174G80.9Confident89.4Confident65 Ų6561.6 Ų61.667%0.6736%0.356SS*.  trans68.421.318000000114.1F172 T176F172-G174 PolarHBondContact O-N 3.39Å; F172-G174 VanDerWaalsContact O-N 3.14Å; G174-T176 PolarHBondContact O-N 3.05Å
175D83.8Confident89.2Confident98 Ų9862 Ų6252%0.52436%0.362SS..  trans-68.5112.3174.2-171.85.4000109.6G173 N177G173-D175 PolarHBondContact O-N 3.36Å; D175-N177 VanDerWaalsContact C-N 3.29Å; D175-N177 PolarHBondContact OD1-N 2.89Å; D175-N177 VanDerWaalsContact OD1-N 3.13Å
176T76.4Confident89Confident141 Ų14162.8 Ų62.887%0.86537%0.367SS*.SBendtrans-81.3-12.1-177.252.80000112.7G174G174-T176 PolarHBondContact O-N 3.05Å
177N80.3Confident89Confident132 Ų13261.2 Ų61.271%0.70636%0.359SS*.SBendtrans-132.169.4177.2-166.533.8000111.4D175 V179D175-N177 VanDerWaalsContact C-N 3.29Å; D175-N177 PolarHBondContact OD1-N 2.89Å; D175-N177 VanDerWaalsContact OD1-N 3.13Å; N177-V179 PolarHBondContact O-N 3.39Å
178P80.8Confident89Confident58 Ų5861.9 Ų61.938%0.37736%0.363SS..  trans-59.5131.7179.6-19.531.3000110.9H180 P181P178-H180 PolarHBondContact O-N 2.81Å; P178-H180 VanDerWaalsContact O-N 3.17Å; P178-P181 WeakPolarHBondContact O-CD 3.45Å; P178-P181 WeakPolarHBondContact O-CG 3.37Å
179V78.3Confident89Confident94 Ų9464 Ų6457%0.5738%0.376SS*.SBendtrans-53.7-37.6177.4-178.60000111.8N177N177-V179 PolarHBondContact O-N 3.39Å
180H81.6Confident89Confident76 Ų7666.8 Ų66.835%0.35239%0.394SS..SBendtrans-124.687176.5-56.6-56.7000111P178 K182 H183 D212P178-H180 PolarHBondContact O-N 2.81Å; P178-H180 VanDerWaalsContact O-N 3.17Å; H180-K182 PolarHBondContact O-N 3.22Å; H180-K182 VanDerWaalsContact O-N 3.12Å; H180-H183 HydrophobicContact CB-CB 4.2Å; H180-H183 VanDerWaalsContact CB-CE1 3.47Å; H180-H183 WeakPolarHBondContact CB-CE1 3.22Å; H180-H183 VanDerWaalsContact CB-ND1 3.33Å; H180-H183 WeakPolarHBondContact CB-ND1 3.3Å; H180-H183 AromaticContact CD2-CE1 3.65Å; H180-H183 AromaticContact CD2-ND1 3.8Å; H180-H183 AromaticContact CG-CE1 3.54Å; H180-H183 AromaticContact CG-ND1 3.76Å; H180-H183 WeakPolarHBondContact O-CB 3.33Å; H180-H183 PolarHBondContact O-N 3.08Å; H180-H183 VanDerWaalsContact O-N 3.1Å; H180-D212 IonicContact CE1-OD1 3.8Å
181P83.6Confident89.1Confident105 Ų10562.4 Ų62.468%0.68237%0.37SS*.THydrogen-bonded Turntrans-62.9-21.9-172.7-24.734000115.1P178P178-P181 WeakPolarHBondContact O-CD 3.45Å; P178-P181 WeakPolarHBondContact O-CG 3.37Å
182K88.3Confident89.1Confident175 Ų17561.5 Ų61.576%0.76137%0.366SS*.THydrogen-bonded Turntrans-86.7-8.6-179.7-65.9-178.3-177.21720113.4H180H180-K182 PolarHBondContact O-N 3.22Å; H180-K182 VanDerWaalsContact O-N 3.12Å
183H91.4Very high89.1Confident41 Ų4160 Ų6019%0.1936%0.359CS..SBendtrans-79.8151.9179.4-68.3-174.1000111.4H180 I187 D188H180-H183 HydrophobicContact CB-CB 4.2Å; H180-H183 VanDerWaalsContact CB-CE1 3.47Å; H180-H183 WeakPolarHBondContact CB-CE1 3.22Å; H180-H183 VanDerWaalsContact CB-ND1 3.33Å; H180-H183 WeakPolarHBondContact CB-ND1 3.3Å; H180-H183 AromaticContact CD2-CE1 3.65Å; H180-H183 AromaticContact CD2-ND1 3.8Å; H180-H183 AromaticContact CG-CE1 3.54Å; H180-H183 AromaticContact CG-ND1 3.76Å; H180-H183 WeakPolarHBondContact O-CB 3.33Å; H180-H183 PolarHBondContact O-N 3.08Å; H180-H183 VanDerWaalsContact O-N 3.1Å; H183-I187 WeakPolarHBondContact CA-O 3.34Å; H183-I187 WeakPolarHBondContact CB-O 3.33Å; H183-D188 IonicContact NE2-OD2 3.17Å
184I94.1Very high89.2Confident33 Ų3359 Ų5917%0.16935%0.347CS..BIsolated β-bridgetrans-104.192.2172.1-55.9-57.3000108.2L33 G36 R37 Q167 L171 S186 I187L33-I184 HydrophobicContact CD1-CB 3.87Å; L33-I184 HydrophobicContact CD1-CG1 3.64Å; L33-I184 HydrophobicContact CD1-CG2 4.34Å; G36-I184 VanDerWaalsContact CA-CG2 3.48Å; R37-I184 HydrophobicContact CB-CD1 4.47Å; Q167-I184 PolarHBondContact NE2-O 3.24Å; Q167-I184 VanDerWaalsContact NE2-O 3.12Å; L171-I184 HydrophobicContact CD2-CG2 4.36Å; I184-S186 PolarHBondContact O-N 2.81Å; I184-I187 PolarHBondContact N-O 3.22Å; I184-I187 PolarHBondContact O-N 3.14Å
185G94.3Very high89.7Confident13 Ų1358.8 Ų58.813%0.13433%0.331CS..THydrogen-bonded Turntrans65.5-121.1-164.200000109.9L170L170-G185 VanDerWaalsContact CD1-C 3.47Å
186S93.3Very high90.1Very high16 Ų1655.2 Ų55.211%0.11231%0.313CS..THydrogen-bonded Turntrans-97.27.2175.3590000114.1Q167 I184 P254Q167-S186 PolarHBondContact OE1-OG 3.01Å; I184-S186 PolarHBondContact O-N 2.81Å; S186-P254 WeakPolarHBondContact O-CD 3.42Å
187I97.1Very high90.9Very high0 Ų048.5 Ų48.50%027%0.271CS..BIsolated β-bridgetrans-96.9127.5179.7-63166.3000109.4I29 F32 L33 M163 H183 I184 V251 Y252 V253I29-I187 HydrophobicContact CG2-CD1 4.32Å; I29-I187 HydrophobicContact CG2-CG2 4.17Å; F32-I187 HydrophobicContact CB-CD1 3.34Å; F32-I187 HydrophobicContact CD2-CD1 4.48Å; F32-I187 HydrophobicContact CG-CD1 4.11Å; L33-I187 HydrophobicContact CD1-CG2 4.47Å; M163-I187 HydrophobicContact CE-CD1 3.79Å; M163-I187 HydrophobicContact CE-CG1 3.82Å; H183-I187 WeakPolarHBondContact CA-O 3.34Å; H183-I187 WeakPolarHBondContact CB-O 3.33Å; I184-I187 PolarHBondContact N-O 3.22Å; I184-I187 PolarHBondContact O-N 3.14Å; I187-V251 HydrophobicContact CG2-CG1 3.83Å; I187-Y252 WeakPolarHBondContact CA-O 3.24Å; I187-V253 HydrophobicContact CG1-CG2 3.86Å
188D96.3Very high90.9Very high23 Ų2345.9 Ų45.912%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-93.4117.5169.1-177.3-6000109.2H183 T190 C191 V251 Y252 P254H183-D188 IonicContact NE2-OD2 3.17Å; D188-T190 PolarHBondContact O-N 3.4Å; D188-T190 PolarHBondContact OD1-N 3.46Å; D188-T190 PolarHBondContact OD1-OG1 3.11Å; D188-C191 HydrophobicContact CB-CB 3.94Å; D188-C191 PolarHBondContact OD1-N 3.31Å; D188-C191 WeakPolarHBondContact OD2-CA 3.3Å; D188-C191 PolarHBondContact OD2-N 2.81Å; D188-V251 WeakPolarHBondContact O-CA 3.25Å; D188-Y252 PolarHBondContact N-O 3.22Å; D188-Y252 PolarHBondContact O-N 3.14Å; D188-P254 HydrophobicContact CB-CG 3.6Å
189P97.1Very high89.8Confident46 Ų4645.6 Ų45.630%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-69.1-15177.329.3-35.2000114.1L33 V251L33-P189 HydrophobicContact CD1-CB 4.24Å; P189-V251 WeakPolarHBondContact O-CG2 3.43Å
190T96.4Very high88.1Confident73 Ų7348.4 Ų48.445%0.44826%0.256SS..EExtended strand (participates in β ladder)trans-134.938.2-175.748.90000111.5D188 N192D188-T190 PolarHBondContact O-N 3.4Å; D188-T190 PolarHBondContact OD1-N 3.46Å; D188-T190 PolarHBondContact OD1-OG1 3.11Å; T190-N192 PolarHBondContact O-N 2.99Å
191C95.4Very high86.1Confident1 Ų148.6 Ų48.61%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-57.6110.7-177.3-170.90000110.6D188 V193 Q249 V250D188-C191 HydrophobicContact CB-CB 3.94Å; D188-C191 PolarHBondContact OD1-N 3.31Å; D188-C191 WeakPolarHBondContact OD2-CA 3.3Å; D188-C191 PolarHBondContact OD2-N 2.81Å; C191-V193 PolarHBondContact O-N 3.35Å; C191-Q249 CarbonylContact O-C 3.45Å; C191-Q249 VanDerWaalsContact O-CA 3.24Å; C191-Q249 WeakPolarHBondContact O-CA 3.21Å; C191-V250 HydrophobicContact CB-CG1 4.24Å; C191-V250 WeakPolarHBondContact CB-O 3.35Å; C191-V250 PolarHBondContact N-O 3.23Å; C191-V250 PolarHBondContact O-N 2.81Å
192N95.4Very high83.7Confident31 Ų3149 Ų4917%0.16627%0.269CS..EExtended strand (participates in β ladder)trans-77.6115.6173.3-175.9-14.5000109T190 A194 D195 V196T190-N192 PolarHBondContact O-N 2.99Å; N192-A194 PolarHBondContact OD1-N 2.9Å; N192-D195 HydrophobicContact CB-CB 4.09Å; N192-D195 WeakPolarHBondContact CB-OD2 3.4Å; N192-D195 PolarHBondContact ND2-OD1 3.47Å; N192-D195 VanDerWaalsContact ND2-OD1 3.16Å; N192-D195 PolarHBondContact ND2-OD2 3.26Å; N192-D195 PolarHBondContact O-N 3.46Å; N192-V196 PolarHBondContact O-N 3.41Å
193V95.9Very high81.1Confident0 Ų047.9 Ų47.90%027%0.271CS..Hα-helixtrans-70.9-38.2-171.7178.80000111.2C191 D195 V196 V197 I248 V250 L257 V290 L297 I299C191-V193 PolarHBondContact O-N 3.35Å; V193-D195 VanDerWaalsContact C-N 3.29Å; V193-D195 PolarHBondContact O-N 2.74Å; V193-V196 PolarHBondContact O-N 2.87Å; V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.44Å; V193-V197 PolarHBondContact O-N 3.42Å; V193-V197 VanDerWaalsContact O-N 3.11Å; V193-I248 HydrophobicContact CB-CG2 4.33Å; V193-I248 HydrophobicContact CG2-CG2 4.11Å; V193-I248 PolarHBondContact N-O 3.16Å; V193-I248 VanDerWaalsContact N-O 3.08Å; V193-V250 HydrophobicContact CG2-CG1 3.69Å; V193-L257 HydrophobicContact CG1-CD2 4.32Å; V193-V290 HydrophobicContact CB-CG1 4.11Å; V193-V290 HydrophobicContact CG1-CG1 3.63Å; V193-V290 HydrophobicContact CG1-CG2 4.29Å; V193-L297 HydrophobicContact CG2-CD1 3.95Å; V193-L297 HydrophobicContact CG2-CD2 4.03Å; V193-I299 HydrophobicContact CG1-CD1 3.53Å; V193-I299 HydrophobicContact CG1-CG1 4.01Å
194A93.5Very high78.2Confident17 Ų1753.6 Ų53.614%0.1430%0.298CS..Hα-helixtrans-60.8-39.3175.300000111.8N192 V197 K198 E238N192-A194 PolarHBondContact OD1-N 2.9Å; A194-V197 CarbonylContact O-C 3.47Å; A194-V197 WeakPolarHBondContact O-CA 3.29Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 2.75Å; A194-V197 VanDerWaalsContact O-N 3.08Å; A194-K198 WeakPolarHBondContact O-CB 3.47Å; A194-K198 PolarHBondContact O-N 3.34Å; A194-E238 WeakPolarHBondContact CB-OE1 3.39Å
195D90.6Very high75.6Confident62 Ų6261.5 Ų61.533%0.33233%0.334SS..Hα-helixtrans-66.6-40.8-180-59.2-10.8000110.6N192 V193 V197 K198 D199N192-D195 HydrophobicContact CB-CB 4.09Å; N192-D195 WeakPolarHBondContact CB-OD2 3.4Å; N192-D195 PolarHBondContact ND2-OD1 3.47Å; N192-D195 VanDerWaalsContact ND2-OD1 3.16Å; N192-D195 PolarHBondContact ND2-OD2 3.26Å; N192-D195 PolarHBondContact O-N 3.46Å; V193-D195 VanDerWaalsContact C-N 3.29Å; V193-D195 PolarHBondContact O-N 2.74Å; D195-V197 PolarHBondContact O-N 3.33Å; D195-K198 PolarHBondContact O-N 2.77Å; D195-D199 WeakPolarHBondContact O-CA 3.35Å; D195-D199 WeakPolarHBondContact O-CB 3.34Å; D195-D199 PolarHBondContact O-N 2.97Å
196V92.2Very high72.6Confident22 Ų2265.7 Ų65.713%0.13336%0.357CS..Hα-helixtrans-66-26.1174.3-171.70000112.1N192 V193 A216 P254 L257 F258 L261N192-V196 PolarHBondContact O-N 3.41Å; V193-V196 PolarHBondContact O-N 2.87Å; V196-A216 WeakPolarHBondContact O-CB 3.37Å; V196-P254 HydrophobicContact CG2-CB 4.43Å; V196-L257 HydrophobicContact CB-CD2 3.97Å; V196-L257 HydrophobicContact CB-CG 4.34Å; V196-L257 HydrophobicContact CG1-CB 4.18Å; V196-L257 HydrophobicContact CG1-CD2 3.99Å; V196-L257 HydrophobicContact CG1-CG 3.82Å; V196-L257 HydrophobicContact CG2-CD2 4.21Å; V196-F258 HydrophobicContact CG1-CB 4.04Å; V196-L261 HydrophobicContact CB-CD1 4.48Å; V196-L261 HydrophobicContact CG1-CD1 4.04Å
197V92.9Very high70Confident0 Ų074 Ų740%039%0.391CS..Hα-helixtrans-75.9-41.8173.4172.30000112.1V193 A194 D195 Y217 L234 V236 L261 F265 T288V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.44Å; V193-V197 PolarHBondContact O-N 3.42Å; V193-V197 VanDerWaalsContact O-N 3.11Å; A194-V197 CarbonylContact O-C 3.47Å; A194-V197 WeakPolarHBondContact O-CA 3.29Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 2.75Å; A194-V197 VanDerWaalsContact O-N 3.08Å; D195-V197 PolarHBondContact O-N 3.33Å; V197-Y217 VanDerWaalsContact O-CB 3.29Å; V197-Y217 WeakPolarHBondContact O-CB 3.26Å; V197-L234 HydrophobicContact CG1-CD2 4.16Å; V197-V236 HydrophobicContact CG1-CG2 3.69Å; V197-L261 HydrophobicContact CB-CD1 4.47Å; V197-L261 HydrophobicContact CG2-CD1 3.64Å; V197-L261 HydrophobicContact CG2-CD2 4.1Å; V197-F265 HydrophobicContact CG1-CE2 4.26Å; V197-F265 HydrophobicContact CG1-CZ 3.92Å; V197-T288 HydrophobicContact CG1-CG2 4.07Å; V197-T288 HydrophobicContact CG2-CG2 4.46Å
198K79.6Confident67.1Low77 Ų7781.5 Ų81.534%0.33543%0.43SS..Hα-helixtrans-121.7-10.9-162.6-95.1-176.4165-179.80117.4A194 D195 Q200 D215 L234 V236A194-K198 WeakPolarHBondContact O-CB 3.47Å; A194-K198 PolarHBondContact O-N 3.34Å; D195-K198 PolarHBondContact O-N 2.77Å; K198-Q200 PolarHBondContact O-N 3.2Å; K198-D215 VanDerWaalsContact C-CG 3.44Å; K198-L234 HydrophobicContact CD-CD2 4.13Å; K198-L234 HydrophobicContact CG-CD2 3.36Å; K198-L234 HydrophobicContact CG-CG 4.38Å; K198-V236 HydrophobicContact CD-CB 3.88Å; K198-V236 HydrophobicContact CD-CG2 3.57Å; K198-V236 HydrophobicContact CG-CG2 3.89Å
199D59Low64.2Low52 Ų5287 Ų8728%0.27846%0.46SS..  trans-13.9109.3-141.7-156.14.8000116.6D195 C201 D215D195-D199 WeakPolarHBondContact O-CA 3.35Å; D195-D199 WeakPolarHBondContact O-CB 3.34Å; D195-D199 PolarHBondContact O-N 2.97Å; D199-C201 PolarHBondContact O-N 2.92Å; D199-D215 HydrophobicContact CB-CB 3.38Å; D199-D215 VanDerWaalsContact N-CG 3.35Å
200Q42.6Very low61.5Low153 Ų15391.6 Ų91.672%0.71549%0.487SS*.THydrogen-bonded Turntrans-75.935.8-179.5-130.8177.78.900112.1K198 C202K198-Q200 PolarHBondContact O-N 3.2Å; Q200-C202 VanDerWaalsContact C-N 3.33Å
201C38.2Very low59Low80 Ų8091.1 Ų91.154%0.54149%0.486SS..THydrogen-bonded Turntrans-85-4.6176.3-142.20000113.1D199 L203D199-C201 PolarHBondContact O-N 2.92Å; C201-L203 VanDerWaalsContact C-N 3.35Å; C201-L203 PolarHBondContact O-N 3.44Å
202C33.5Very low56.6Low114 Ų11495.5 Ų95.577%0.7751%0.51SS*.THydrogen-bonded Turntrans-89.726.4179-66.40000115.3Q200Q200-C202 VanDerWaalsContact C-N 3.33Å
203L33.6Very low54.3Low152 Ų15298 Ų9880%0.79653%0.528SS*.THydrogen-bonded Turntrans-123.930167.9-73.4-179.2000114C201C201-L203 VanDerWaalsContact C-N 3.35Å; C201-L203 PolarHBondContact O-N 3.44Å
204Q31.2Very low52.3Low161 Ų161101.2 Ų101.275%0.75255%0.549SS*.  trans-121102.3150.2-84.8-175.9-8.700109.8T206Q204-T206 PolarHBondContact O-N 3.5Å
205E38.7Very low51.5Low199 Ų199100.9 Ų100.993%0.9355%0.545SS*.  trans-61.769.4160.3-67.6-175.9156.300110
206T31.7Very low51.5Low101 Ų10198 Ų9862%0.6253%0.529SS*.  trans-139.991.716743.30000109.3Q204Q204-T206 PolarHBondContact O-N 3.5Å
207F38.6Very low51.6Low190 Ų19097 Ų9783%0.83352%0.523SS*.  trans45.3106.7142.8-81.5-99.6000118.2
208L36.1Very low51.5Low157 Ų157100.8 Ų100.882%0.82254%0.541SS*.  trans48.872.6139.4-68.5160.4000116.1
209D36Very low51.9Low138 Ų13898.2 Ų98.274%0.73853%0.532SS*.  trans-137.5117.5146.7-143.1-28.9000109.8S211D209-S211 PolarHBondContact O-N 3.2Å; D209-S211 PolarHBondContact OD1-OG 3.14Å
210V40.5Very low53.5Low143 Ų14395.8 Ų95.887%0.86752%0.518SS*.  trans-94.133.3-172.5-176.10000109.5
211S43.8Very low55.9Low63 Ų6389.6 Ų89.644%0.44149%0.489SS..  trans-106.7-14-166.140.70000115D209D209-S211 PolarHBondContact O-N 3.2Å; D209-S211 PolarHBondContact OD1-OG 3.14Å
212D45.6Very low58.4Low93 Ų9391.1 Ų91.150%0.49749%0.49SS..SBendtrans-91.1128.1171.7-77.2-39.3000111.1H180H180-D212 IonicContact CE1-OD1 3.8Å
213P45.7Very low61Low84 Ų8487 Ų8755%0.54546%0.46SS..PPolyproline II helixtrans-63.3134.5173.925.6-30.5000109.4
214P55.7Low63.7Low67 Ų6779.8 Ų79.844%0.43542%0.422SS..PPolyproline II helixtrans-61.2151.4-178.325.3-33.6000110.8T219 F258P214-T219 WeakPolarHBondContact CB-OG1 3.43Å; P214-T219 HydrophobicContact CG-CG2 4.24Å; P214-T219 WeakPolarHBondContact CG-OG1 3.16Å; P214-T219 PolarHBondContact O-OG1 3.5Å; P214-F258 WeakPolarHBondContact O-CE2 3.48Å
215D76.1Confident66.6Low11 Ų1176.1 Ų76.16%0.05941%0.405CS..PPolyproline II helixtrans-69.3164.3-179.463.678.2000113.9K198 D199 Y217 E218 T219 F258K198-D215 VanDerWaalsContact C-CG 3.44Å; D199-D215 HydrophobicContact CB-CB 3.38Å; D199-D215 VanDerWaalsContact N-CG 3.35Å; D215-Y217 VanDerWaalsContact C-N 3.27Å; D215-Y217 PolarHBondContact O-N 3.33Å; D215-Y217 PolarHBondContact OD1-N 3.28Å; D215-Y217 VanDerWaalsContact OD1-N 3.16Å; D215-E218 VanDerWaalsContact OD1-CB 3.28Å; D215-E218 WeakPolarHBondContact OD1-CB 3.38Å; D215-E218 WeakPolarHBondContact OD1-CG 3.48Å; D215-E218 PolarHBondContact OD1-N 3.42Å; D215-E218 VanDerWaalsContact OD2-CB 3.29Å; D215-E218 WeakPolarHBondContact OD2-CB 3.39Å; D215-E218 WeakPolarHBondContact OD2-CG 3.43Å; D215-T219 WeakPolarHBondContact O-CB 3.47Å; D215-T219 PolarHBondContact O-N 3.23Å; D215-T219 PolarHBondContact O-OG1 3.32Å; D215-F258 VanDerWaalsContact C-CE2 3.47Å
216A89.6Confident69Low0 Ų073.1 Ų73.10%039%0.391CS..Hα-helixtrans-63.5-36.3-169.700000112.4V196 A220 F258 L261 F262 F265V196-A216 WeakPolarHBondContact O-CB 3.37Å; A216-A220 WeakPolarHBondContact O-CB 3.29Å; A216-A220 PolarHBondContact O-N 3.45Å; A216-F258 VanDerWaalsContact CA-CE2 3.42Å; A216-F258 HydrophobicContact CB-CD2 3.82Å; A216-F258 HydrophobicContact CB-CE2 4.05Å; A216-L261 HydrophobicContact CB-CB 3.51Å; A216-L261 HydrophobicContact CB-CD1 4.39Å; A216-F262 HydrophobicContact CB-CB 4.36Å; A216-F265 HydrophobicContact CB-CD2 4.14Å; A216-F265 HydrophobicContact CB-CE2 4.25Å
217Y94.5Very high71.6Confident2 Ų276 Ų761%0.00839%0.392CS..Hα-helixtrans-77.1-54.1-178.4-174.7-96.8000111.8V197 D215 T219 A220 K221 P232 E233 L234 F265 M269V197-Y217 VanDerWaalsContact O-CB 3.29Å; V197-Y217 WeakPolarHBondContact O-CB 3.26Å; D215-Y217 VanDerWaalsContact C-N 3.27Å; D215-Y217 PolarHBondContact O-N 3.33Å; D215-Y217 PolarHBondContact OD1-N 3.28Å; D215-Y217 VanDerWaalsContact OD1-N 3.16Å; Y217-T219 VanDerWaalsContact C-N 3.3Å; Y217-T219 PolarHBondContact O-N 2.96Å; Y217-A220 CarbonylContact O-C 3.16Å; Y217-A220 WeakPolarHBondContact O-CA 3.29Å; Y217-A220 WeakPolarHBondContact O-CB 3.34Å; Y217-A220 PolarHBondContact O-N 2.97Å; Y217-K221 HydrophobicContact CD1-CB 4.48Å; Y217-K221 HydrophobicContact CE1-CB 4.29Å; Y217-K221 HydrophobicContact CE1-CD 3.99Å; Y217-K221 HydrophobicContact CE1-CG 4.36Å; Y217-K221 WeakPolarHBondContact O-CB 3.12Å; Y217-K221 PolarHBondContact O-N 2.81Å; Y217-P232 PolarHBondContact OH-O 2.83Å; Y217-E233 VanDerWaalsContact OH-CA 3.29Å; Y217-E233 WeakPolarHBondContact OH-CA 3.5Å; Y217-E233 PolarHBondContact OH-O 2.83Å; Y217-L234 HydrophobicContact CD1-CB 3.89Å; Y217-L234 HydrophobicContact CD1-CD2 3.95Å; Y217-L234 HydrophobicContact CD2-CB 3.9Å; Y217-L234 HydrophobicContact CD2-CD1 3.94Å; Y217-L234 HydrophobicContact CD2-CD2 3.7Å; Y217-L234 HydrophobicContact CD2-CG 4.05Å; Y217-L234 HydrophobicContact CE1-CB 3.62Å; Y217-L234 HydrophobicContact CE2-CB 3.62Å; Y217-L234 HydrophobicContact CE2-CD1 4.02Å; Y217-L234 HydrophobicContact CE2-CD2 4.29Å; Y217-L234 HydrophobicContact CE2-CG 4.17Å; Y217-L234 HydrophobicContact CG-CB 4.03Å; Y217-L234 HydrophobicContact CG-CD2 3.5Å; Y217-L234 HydrophobicContact CG-CG 4.23Å; Y217-L234 VanDerWaalsContact CZ-CB 3.49Å; Y217-L234 PolarHBondContact OH-N 3.02Å; Y217-F265 AromaticContact CD2-CD1 3.69Å; Y217-F265 HydrophobicContact CD2-CD1 3.69Å; Y217-F265 HydrophobicContact CD2-CD2 4.21Å; Y217-F265 AromaticContact CD2-CE1 3.84Å; Y217-F265 HydrophobicContact CD2-CE1 3.84Å; Y217-F265 HydrophobicContact CD2-CE2 4.32Å; Y217-F265 AromaticContact CD2-CG 3.91Å; Y217-F265 HydrophobicContact CD2-CG 3.91Å; Y217-F265 HydrophobicContact CD2-CZ 4.16Å; Y217-F265 HydrophobicContact CE2-CD1 4.19Å; Y217-F265 HydrophobicContact CE2-CE1 4.43Å; Y217-M269 HydrophobicContact CD1-CE 4.33Å; Y217-M269 HydrophobicContact CD2-CE 3.59Å; Y217-M269 HydrophobicContact CE1-CE 3.97Å; Y217-M269 HydrophobicContact CE2-CE 3.17Å; Y217-M269 HydrophobicContact CG-CE 4.15Å
218E90.6Very high74Confident79 Ų7969.1 Ų69.137%0.36936%0.361SS..Hα-helixtrans-63.3-35.9-178.8-67.4-58.1143.900111.6D215 A220 K221 M222D215-E218 VanDerWaalsContact OD1-CB 3.28Å; D215-E218 WeakPolarHBondContact OD1-CB 3.38Å; D215-E218 WeakPolarHBondContact OD1-CG 3.48Å; D215-E218 PolarHBondContact OD1-N 3.42Å; D215-E218 VanDerWaalsContact OD2-CB 3.29Å; D215-E218 WeakPolarHBondContact OD2-CB 3.39Å; D215-E218 WeakPolarHBondContact OD2-CG 3.43Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 2.99Å; E218-K221 PolarHBondContact O-N 2.85Å; E218-M222 VanDerWaalsContact O-CB 3.28Å; E218-M222 WeakPolarHBondContact O-CB 3.2Å; E218-M222 PolarHBondContact O-N 3.48Å
219T88.8Confident76.7Confident24 Ų2469.2 Ų69.215%0.14736%0.361CS..Hα-helixtrans-63.7-42.4172.2-50.10000111.4P214 D215 Y217 L223 F262P214-T219 WeakPolarHBondContact CB-OG1 3.43Å; P214-T219 HydrophobicContact CG-CG2 4.24Å; P214-T219 WeakPolarHBondContact CG-OG1 3.16Å; P214-T219 PolarHBondContact O-OG1 3.5Å; D215-T219 WeakPolarHBondContact O-CB 3.47Å; D215-T219 PolarHBondContact O-N 3.23Å; D215-T219 PolarHBondContact O-OG1 3.32Å; Y217-T219 VanDerWaalsContact C-N 3.3Å; Y217-T219 PolarHBondContact O-N 2.96Å; T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 3.04Å; T219-F262 HydrophobicContact CG2-CD2 4.09Å; T219-F262 HydrophobicContact CG2-CE2 3.68Å
220A92Very high79.5Confident0 Ų064.6 Ų64.60%034%0.337CS..Hα-helixtrans-68.4-38.8176.200000111.5A216 Y217 E218 L223 C224 F262 F265 K266 M269A216-A220 WeakPolarHBondContact O-CB 3.29Å; A216-A220 PolarHBondContact O-N 3.45Å; Y217-A220 CarbonylContact O-C 3.16Å; Y217-A220 WeakPolarHBondContact O-CA 3.29Å; Y217-A220 WeakPolarHBondContact O-CB 3.34Å; Y217-A220 PolarHBondContact O-N 2.97Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 2.99Å; A220-L223 PolarHBondContact O-N 3.24Å; A220-C224 VanDerWaalsContact O-CB 3.29Å; A220-C224 WeakPolarHBondContact O-CB 3.43Å; A220-C224 PolarHBondContact O-N 2.85Å; A220-F262 HydrophobicContact CB-CD2 4.04Å; A220-F262 HydrophobicContact CB-CE2 4.25Å; A220-F265 HydrophobicContact CB-CB 3.73Å; A220-K266 HydrophobicContact CB-CG 3.95Å; A220-M269 VanDerWaalsContact C-SD 3.5Å; A220-M269 HydrophobicContact CB-CE 4.09Å; A220-M269 HydrophobicContact CB-SD 3.8Å
221K93.6Very high82Confident23 Ų2358.2 Ų58.210%0.130%0.3CS..Hα-helixtrans-60.6-50.6177.2-165.3-173.8-172.6166.20109.9Y217 E218 L223 C224 E225 A231 E233 M269Y217-K221 HydrophobicContact CD1-CB 4.48Å; Y217-K221 HydrophobicContact CE1-CB 4.29Å; Y217-K221 HydrophobicContact CE1-CD 3.99Å; Y217-K221 HydrophobicContact CE1-CG 4.36Å; Y217-K221 WeakPolarHBondContact O-CB 3.12Å; Y217-K221 PolarHBondContact O-N 2.81Å; E218-K221 PolarHBondContact O-N 2.85Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.09Å; K221-C224 CarbonylContact O-C 3.56Å; K221-C224 WeakPolarHBondContact O-CA 3.47Å; K221-C224 WeakPolarHBondContact O-CB 3.39Å; K221-C224 PolarHBondContact O-N 3.34Å; K221-E225 WeakPolarHBondContact CE-OE1 3.02Å; K221-E225 HydrophobicContact CG-CG 4.35Å; K221-E225 WeakPolarHBondContact O-CB 3.46Å; K221-E225 WeakPolarHBondContact O-CG 3.45Å; K221-E225 PolarHBondContact O-N 3.2Å; K221-A231 HydrophobicContact CB-CB 4.5Å; K221-A231 HydrophobicContact CG-CB 3.56Å; K221-E233 IonicContact NZ-OE1 3.58Å; K221-E233 PolarHBondContact NZ-OE1 3.36Å; K221-E233 IonicContact NZ-OE2 3.94Å; K221-E233 PolarHBondContact NZ-OE2 3.25Å; K221-M269 HydrophobicContact CB-CE 3.89Å; K221-M269 HydrophobicContact CG-CE 4.47Å
222M90.9Very high84.6Confident112 Ų11255.2 Ų55.255%0.55228%0.279SS*.Hα-helixtrans-55.4-45.5176.8-174.9-165-5800112E218 Q226E218-M222 VanDerWaalsContact O-CB 3.28Å; E218-M222 WeakPolarHBondContact O-CB 3.2Å; E218-M222 PolarHBondContact O-N 3.48Å; M222-Q226 VanDerWaalsContact O-CB 3.26Å; M222-Q226 WeakPolarHBondContact O-CB 3.41Å; M222-Q226 PolarHBondContact O-N 3.48Å
223L87.8Confident87Confident29 Ų2956.2 Ų56.215%0.15228%0.281CS..Hα-helixtrans-68.4-36.6176.9-69.5176000112.5T219 A220 K221 Y227 F262 K266 L337T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 3.04Å; A220-L223 PolarHBondContact O-N 3.24Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.09Å; L223-Y227 PolarHBondContact O-N 2.97Å; L223-F262 HydrophobicContact CD1-CE2 3.74Å; L223-F262 HydrophobicContact CD1-CZ 3.53Å; L223-K266 HydrophobicContact CD1-CD 4.33Å; L223-L337 HydrophobicContact CB-CD1 3.95Å
224C90.5Very high89.4Confident0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-66.5-48.9176.8-172.70000110.8A220 K221 Q226 Y227 Y228 V230 A231 M269A220-C224 VanDerWaalsContact O-CB 3.29Å; A220-C224 WeakPolarHBondContact O-CB 3.43Å; A220-C224 PolarHBondContact O-N 2.85Å; K221-C224 CarbonylContact O-C 3.56Å; K221-C224 WeakPolarHBondContact O-CA 3.47Å; K221-C224 WeakPolarHBondContact O-CB 3.39Å; K221-C224 PolarHBondContact O-N 3.34Å; C224-Q226 PolarHBondContact O-N 2.9Å; C224-Y227 PolarHBondContact O-N 2.77Å; C224-Y227 VanDerWaalsContact O-N 3.12Å; C224-Y228 WeakPolarHBondContact O-CB 3.46Å; C224-Y228 PolarHBondContact O-N 2.92Å; C224-V230 PolarHBondContact SG-O 3.3Å; C224-A231 HydrophobicContact CB-CB 4.05Å; C224-M269 HydrophobicContact CB-CB 4.31Å; C224-M269 HydrophobicContact CB-SD 3.88Å
225E91.6Very high91.4Very high83 Ų8355 Ų5539%0.38826%0.262SS..Hα-helixtrans-63.1-39.1176.4-71.4177.2169.300112.1K221 Y227 L229 A231K221-E225 WeakPolarHBondContact CE-OE1 3.02Å; K221-E225 HydrophobicContact CG-CG 4.35Å; K221-E225 WeakPolarHBondContact O-CB 3.46Å; K221-E225 WeakPolarHBondContact O-CG 3.45Å; K221-E225 PolarHBondContact O-N 3.2Å; E225-Y227 PolarHBondContact O-N 3.24Å; E225-L229 WeakPolarHBondContact O-CA 3.45Å; E225-L229 PolarHBondContact O-N 3.48Å; E225-A231 HydrophobicContact CG-CB 3.82Å
226Q88.8Confident92.4Very high137 Ų13756.1 Ų56.164%0.6427%0.27SS*.Hα-helixtrans-60.5-33175.3-175.1-179.9-2.900112.1M222 C224M222-Q226 VanDerWaalsContact O-CB 3.26Å; M222-Q226 WeakPolarHBondContact O-CB 3.41Å; M222-Q226 PolarHBondContact O-N 3.48Å; C224-Q226 PolarHBondContact O-N 2.9Å
227Y87.3Confident92.8Very high162 Ų16262.4 Ų62.464%0.63530%0.299SS*.Hα-helixtrans-94.5-43-176.2-170.7-95.1000113.6L223 C224 E225L223-Y227 PolarHBondContact O-N 2.97Å; C224-Y227 PolarHBondContact O-N 2.77Å; C224-Y227 VanDerWaalsContact O-N 3.12Å; E225-Y227 PolarHBondContact O-N 3.24Å
228Y89.6Confident92.9Very high45 Ų4565.4 Ų65.418%0.17631%0.313CS..Hα-helixtrans-107.4-3.7-174.4-65.1-73.6000114.2C224 V230 V273 E274 L337C224-Y228 WeakPolarHBondContact O-CB 3.46Å; C224-Y228 PolarHBondContact O-N 2.92Å; Y228-V230 PolarHBondContact O-N 2.76Å; Y228-V230 VanDerWaalsContact O-N 3.12Å; Y228-V273 HydrophobicContact CD1-CG1 3.71Å; Y228-V273 HydrophobicContact CD2-CB 4.44Å; Y228-V273 HydrophobicContact CD2-CG1 4.14Å; Y228-V273 HydrophobicContact CE1-CG1 4.35Å; Y228-V273 HydrophobicContact CG-CB 4.38Å; Y228-V273 HydrophobicContact CG-CG1 3.61Å; Y228-E274 HydrophobicContact CE1-CG 4.22Å; Y228-E274 PolarHBondContact OH-OE1 2.88Å; Y228-L337 HydrophobicContact CD2-CD2 4.14Å; Y228-L337 HydrophobicContact CE2-CD2 3.39Å
229L92.2Very high93.3Very high159 Ų15967.5 Ų67.583%0.83232%0.321SS*.SBendtrans646.7-176-50.1175.3000114.9E225E225-L229 WeakPolarHBondContact O-CA 3.45Å; E225-L229 PolarHBondContact O-N 3.48Å
230V93.8Very high93.7Very high40 Ų4066.8 Ų66.824%0.24232%0.317CS..  trans-157154179.467.40000109.8C224 Y228 V273 Y283C224-V230 PolarHBondContact SG-O 3.3Å; Y228-V230 PolarHBondContact O-N 2.76Å; Y228-V230 VanDerWaalsContact O-N 3.12Å; V230-V273 HydrophobicContact CG1-CG1 4.19Å; V230-V273 HydrophobicContact CG1-CG2 4.48Å; V230-Y283 HydrophobicContact CB-CE2 4.24Å; V230-Y283 HydrophobicContact CG1-CD2 4.46Å; V230-Y283 HydrophobicContact CG1-CE1 4.21Å; V230-Y283 HydrophobicContact CG1-CE2 3.75Å; V230-Y283 HydrophobicContact CG2-CD2 3.72Å; V230-Y283 HydrophobicContact CG2-CE2 3.58Å
231A94.8Very high94Very high9 Ų969.7 Ų69.77%0.07434%0.341CS..  trans-141.6152.2170.300000110.2K221 C224 E225K221-A231 HydrophobicContact CB-CB 4.5Å; K221-A231 HydrophobicContact CG-CB 3.56Å; C224-A231 HydrophobicContact CB-CB 4.05Å; E225-A231 HydrophobicContact CG-CB 3.82Å
232P96.6Very high93.9Very high1 Ų174.1 Ų74.11%0.00636%0.36CS..  trans-55.5166.3167.6-26.636.8000112.5Y217 M269 T272 V273 V286Y217-P232 PolarHBondContact OH-O 2.83Å; P232-M269 HydrophobicContact CG-CG 4.5Å; P232-T272 HydrophobicContact CG-CG2 3.76Å; P232-V273 HydrophobicContact CG-CG2 4.4Å; P232-V286 HydrophobicContact CB-CG2 3.98Å; P232-V286 HydrophobicContact CG-CG2 4.35Å
233E96.3Very high94.1Very high114 Ų11470.1 Ų70.153%0.53335%0.345SS..  trans-96.5162.4169.2-70-58.3149.100111.9Y217 K221 A285 V286Y217-E233 VanDerWaalsContact OH-CA 3.29Å; Y217-E233 WeakPolarHBondContact OH-CA 3.5Å; Y217-E233 PolarHBondContact OH-O 2.83Å; K221-E233 IonicContact NZ-OE1 3.58Å; K221-E233 PolarHBondContact NZ-OE1 3.36Å; K221-E233 IonicContact NZ-OE2 3.94Å; K221-E233 PolarHBondContact NZ-OE2 3.25Å; E233-A285 CarbonylContact O-C 3.51Å; E233-A285 WeakPolarHBondContact O-CA 3.44Å; E233-A285 VanDerWaalsContact O-CB 3.31Å; E233-A285 WeakPolarHBondContact O-CB 3.36Å; E233-V286 PolarHBondContact O-N 3.45Å
234L97.2Very high94.4Very high25 Ų2573.4 Ų73.413%0.13137%0.368CS..EExtended strand (participates in β ladder)trans-106.5124.9-178-178.759.4000113V197 K198 Y217 V236 F265 V286V197-L234 HydrophobicContact CG1-CD2 4.16Å; K198-L234 HydrophobicContact CD-CD2 4.13Å; K198-L234 HydrophobicContact CG-CD2 3.36Å; K198-L234 HydrophobicContact CG-CG 4.38Å; Y217-L234 HydrophobicContact CD1-CB 3.89Å; Y217-L234 HydrophobicContact CD1-CD2 3.95Å; Y217-L234 HydrophobicContact CD2-CB 3.9Å; Y217-L234 HydrophobicContact CD2-CD1 3.94Å; Y217-L234 HydrophobicContact CD2-CD2 3.7Å; Y217-L234 HydrophobicContact CD2-CG 4.05Å; Y217-L234 HydrophobicContact CE1-CB 3.62Å; Y217-L234 HydrophobicContact CE2-CB 3.62Å; Y217-L234 HydrophobicContact CE2-CD1 4.02Å; Y217-L234 HydrophobicContact CE2-CD2 4.29Å; Y217-L234 HydrophobicContact CE2-CG 4.17Å; Y217-L234 HydrophobicContact CG-CB 4.03Å; Y217-L234 HydrophobicContact CG-CD2 3.5Å; Y217-L234 HydrophobicContact CG-CG 4.23Å; Y217-L234 VanDerWaalsContact CZ-CB 3.49Å; Y217-L234 PolarHBondContact OH-N 3.02Å; L234-V236 HydrophobicContact CD1-CG2 4.04Å; L234-V236 HydrophobicContact CD2-CG2 3.94Å; L234-V236 HydrophobicContact CG-CG2 3.9Å; L234-F265 HydrophobicContact CD1-CE1 4.01Å; L234-F265 HydrophobicContact CD1-CZ 4.24Å; L234-V286 WeakPolarHBondContact CD1-O 3.5Å
235E97.1Very high94.6Very high99 Ų9981.3 Ų81.346%0.46341%0.41SS..EExtended strand (participates in β ladder)trans-104.5128.4165.9-66.6173.4-166.300109A285 V286 K287 T288E235-A285 HydrophobicContact CG-CB 3.95Å; E235-V286 PolarHBondContact N-O 3.27Å; E235-K287 HydrophobicContact CB-CG 4.27Å; E235-K287 WeakPolarHBondContact OE2-CE 3.45Å; E235-K287 IonicContact OE2-NZ 2.78Å; E235-T288 PolarHBondContact O-N 2.93Å
236V96.9Very high94.8Very high36 Ų3684.1 Ų84.122%0.21842%0.421CS..EExtended strand (participates in β ladder)trans-123.5131.1174.1171.90000109.4V197 K198 L234 T288V197-V236 HydrophobicContact CG1-CG2 3.69Å; K198-V236 HydrophobicContact CD-CB 3.88Å; K198-V236 HydrophobicContact CD-CG2 3.57Å; K198-V236 HydrophobicContact CG-CG2 3.89Å; L234-V236 HydrophobicContact CD1-CG2 4.04Å; L234-V236 HydrophobicContact CD2-CG2 3.94Å; L234-V236 HydrophobicContact CG-CG2 3.9Å; V236-T288 CarbonylContact C-O 3.58Å; V236-T288 VanDerWaalsContact CA-O 3.3Å; V236-T288 WeakPolarHBondContact CA-O 3.36Å; V236-T288 HydrophobicContact CG2-CG2 4.45Å
237E97.3Very high95.2Very high132 Ų13280.9 Ų80.962%0.61741%0.412SS*.EExtended strand (participates in β ladder)trans-122.4137.5172.5-171.4-179.1172.400109T288 L289 V290E237-T288 PolarHBondContact N-O 3.48Å; E237-L289 HydrophobicContact CB-CD1 4.03Å; E237-L289 HydrophobicContact CG-CD1 4.09Å; E237-L289 WeakPolarHBondContact O-CA 3.42Å; E237-V290 PolarHBondContact O-N 2.77Å
238E97.9Very high95.7Very high64 Ų6473.1 Ų73.130%0.29938%0.382SS..EExtended strand (participates in β ladder)trans-115139.7174-63-150.4131.700111A194 I248 V290A194-E238 WeakPolarHBondContact CB-OE1 3.39Å; E238-I248 HydrophobicContact CB-CD1 4Å; E238-I248 HydrophobicContact CG-CD1 4.4Å; E238-I248 PolarHBondContact OE2-N 3.41Å; E238-V290 CarbonylContact C-O 3.2Å; E238-V290 VanDerWaalsContact CA-O 3.32Å; E238-V290 WeakPolarHBondContact CA-O 3.3Å; E238-V290 HydrophobicContact CG-CB 4.22Å
239F97.9Very high96.1Very high124 Ų12475.5 Ų75.554%0.54439%0.394SS..EExtended strand (participates in β ladder)trans-132.8100.1169.6-176.1-100.3000111A241 V290 T291 L292F239-A241 HydrophobicContact CD1-CB 4.36Å; F239-A241 HydrophobicContact CE1-CB 3.83Å; F239-A241 PolarHBondContact O-N 3.46Å; F239-V290 PolarHBondContact N-O 3.02Å; F239-T291 HydrophobicContact CB-CG2 4.18Å; F239-T291 WeakPolarHBondContact O-CA 3.35Å; F239-L292 PolarHBondContact O-N 3.36Å; F239-L292 VanDerWaalsContact O-N 3.12Å
240N98Very high96.3Very high9 Ų968.4 Ų68.45%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-92.591.3179.4-170.4-17.1000111.2K242 A243 P244 K246 I248N240-K242 PolarHBondContact O-N 2.95Å; N240-K242 PolarHBondContact OD1-N 3.38Å; N240-A243 VanDerWaalsContact CB-O 3.31Å; N240-A243 WeakPolarHBondContact CB-O 3.42Å; N240-A243 PolarHBondContact ND2-O 3.49Å; N240-A243 CarbonylContact O-C 3.55Å; N240-A243 PolarHBondContact O-N 3.45Å; N240-A243 PolarHBondContact OD1-N 2.97Å; N240-P244 WeakPolarHBondContact O-CA 3.26Å; N240-P244 VanDerWaalsContact O-N 3.09Å; N240-K246 PolarHBondContact ND2-O 2.92Å; N240-I248 HydrophobicContact CB-CD1 4.34Å; N240-I248 HydrophobicContact CB-CG1 3.82Å
241A97.1Very high96.5Very high61 Ų6168 Ų6850%0.50436%0.355SS..THydrogen-bonded Turntrans-65.9-20.1-179.200000113.3F239 L292F239-A241 HydrophobicContact CD1-CB 4.36Å; F239-A241 HydrophobicContact CE1-CB 3.83Å; F239-A241 PolarHBondContact O-N 3.46Å; A241-L292 WeakPolarHBondContact CB-O 3.08Å; A241-L292 PolarHBondContact N-O 3.03Å
242K93.1Very high96.7Very high115 Ų11567.6 Ų67.650%0.535%0.352SS..THydrogen-bonded Turntrans-78.9-35.1176.2-66.6-179.671.7172.60112.3N240 L292 G293N240-K242 PolarHBondContact O-N 2.95Å; N240-K242 PolarHBondContact OD1-N 3.38Å; K242-L292 HydrophobicContact CD-CD2 4.03Å; K242-L292 HydrophobicContact CD-CG 3.98Å; K242-L292 HydrophobicContact CG-CG 4.45Å; K242-G293 VanDerWaalsContact CD-O 3.27Å; K242-G293 WeakPolarHBondContact CD-O 3.21Å
243A95.4Very high96.7Very high29 Ų2967.6 Ų67.624%0.2435%0.351CS..SBendtrans-156.390.8-179.800000109.6N240 D245 K246N240-A243 VanDerWaalsContact CB-O 3.31Å; N240-A243 WeakPolarHBondContact CB-O 3.42Å; N240-A243 PolarHBondContact ND2-O 3.49Å; N240-A243 CarbonylContact O-C 3.55Å; N240-A243 PolarHBondContact O-N 3.45Å; N240-A243 PolarHBondContact OD1-N 2.97Å; A243-D245 VanDerWaalsContact C-N 3.28Å; A243-D245 PolarHBondContact O-N 2.77Å; A243-D245 VanDerWaalsContact O-N 3.09Å; A243-K246 HydrophobicContact CB-CB 4.06Å; A243-K246 HydrophobicContact CB-CD 3.93Å; A243-K246 HydrophobicContact CB-CG 4.01Å; A243-K246 PolarHBondContact O-N 3.02Å
244P93.9Very high96.7Very high98 Ų9863.3 Ų63.364%0.63633%0.334SS*.THydrogen-bonded Turntrans-52-37.4-166.6-32.237000116.1N240N240-P244 WeakPolarHBondContact O-CA 3.26Å; N240-P244 VanDerWaalsContact O-N 3.09Å
245D94.7Very high96.5Very high165 Ų16565.4 Ų65.488%0.88235%0.35SS*.THydrogen-bonded Turntrans-91.13-175.6-51.5-52000113.9A243A243-D245 VanDerWaalsContact C-N 3.28Å; A243-D245 PolarHBondContact O-N 2.77Å; A243-D245 VanDerWaalsContact O-N 3.09Å
246K95.7Very high96.5Very high142 Ų14261.5 Ų61.562%0.61733%0.332SS*.SBendtrans-102138.7-178.9-67.2-168.4178.6-173.30111.3N240 A243N240-K246 PolarHBondContact ND2-O 2.92Å; A243-K246 HydrophobicContact CB-CB 4.06Å; A243-K246 HydrophobicContact CB-CD 3.93Å; A243-K246 HydrophobicContact CB-CG 4.01Å; A243-K246 PolarHBondContact O-N 3.02Å
247P96.1Very high96.5Very high69 Ų6959.8 Ų59.845%0.44832%0.321SS..  trans-58.1147.2172.626.8-34.7000110.4Q249P247-Q249 PolarHBondContact O-N 3.17Å
248I98.1Very high96.4Very high0 Ų056.1 Ų56.10%030%0.304CS..  trans-76.6113.1-178-66.7173.8000109.8V193 E238 N240 V290 L292 L297V193-I248 HydrophobicContact CB-CG2 4.33Å; V193-I248 HydrophobicContact CG2-CG2 4.11Å; V193-I248 PolarHBondContact N-O 3.16Å; V193-I248 VanDerWaalsContact N-O 3.08Å; E238-I248 HydrophobicContact CB-CD1 4Å; E238-I248 HydrophobicContact CG-CD1 4.4Å; E238-I248 PolarHBondContact OE2-N 3.41Å; N240-I248 HydrophobicContact CB-CD1 4.34Å; N240-I248 HydrophobicContact CB-CG1 3.82Å; I248-V290 HydrophobicContact CB-CG1 4.2Å; I248-V290 HydrophobicContact CD1-CB 4.12Å; I248-V290 HydrophobicContact CD1-CG1 3.68Å; I248-V290 WeakPolarHBondContact CD1-O 3.47Å; I248-V290 HydrophobicContact CG2-CG1 3.97Å; I248-L292 HydrophobicContact CD1-CB 4.15Å; I248-L292 HydrophobicContact CG1-CB 4.1Å; I248-L292 HydrophobicContact CG2-CB 3.96Å; I248-L292 HydrophobicContact CG2-CD2 4.29Å; I248-L297 HydrophobicContact CG2-CD1 3.25Å
249Q97.2Very high96.2Very high95 Ų9555.3 Ų55.344%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-116.8147.3175.8-68.8-177.7-15.300112C191 P247C191-Q249 CarbonylContact O-C 3.45Å; C191-Q249 VanDerWaalsContact O-CA 3.24Å; C191-Q249 WeakPolarHBondContact O-CA 3.21Å; P247-Q249 PolarHBondContact O-N 3.17Å
250V98Very high96.2Very high9 Ų949.4 Ų49.46%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-142.1153177.564.70000110.9C191 V193 Y252 L297C191-V250 HydrophobicContact CB-CG1 4.24Å; C191-V250 WeakPolarHBondContact CB-O 3.35Å; C191-V250 PolarHBondContact N-O 3.23Å; C191-V250 PolarHBondContact O-N 2.81Å; V193-V250 HydrophobicContact CG2-CG1 3.69Å; V250-Y252 PolarHBondContact O-N 3.43Å; V250-L297 HydrophobicContact CG1-CD2 4.28Å
251V98.4Very high96.2Very high32 Ų3249 Ų4919%0.19427%0.272CS..EExtended strand (participates in β ladder)trans-83.9106.3168.2-177.90000107.8I29 L33 I187 D188 P189I29-V251 HydrophobicContact CG2-CB 4.41Å; I29-V251 HydrophobicContact CG2-CG1 3.53Å; L33-V251 HydrophobicContact CD2-CG1 4Å; I187-V251 HydrophobicContact CG2-CG1 3.83Å; D188-V251 WeakPolarHBondContact O-CA 3.25Å; P189-V251 WeakPolarHBondContact O-CG2 3.43Å
252Y98.3Very high96.1Very high1 Ų147.2 Ų47.20%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-151176.3-175.2-149.4-109.4000113I29 I187 D188 V250 P254 H256 L257 M260 F354 L374I29-Y252 HydrophobicContact CD1-CD2 3.7Å; I29-Y252 HydrophobicContact CD1-CE2 3.95Å; I187-Y252 WeakPolarHBondContact CA-O 3.24Å; D188-Y252 PolarHBondContact N-O 3.22Å; D188-Y252 PolarHBondContact O-N 3.14Å; V250-Y252 PolarHBondContact O-N 3.43Å; Y252-P254 WeakPolarHBondContact O-CD 3.28Å; Y252-H256 HydrophobicContact CE1-CB 4.1Å; Y252-L257 HydrophobicContact CD1-CB 4.09Å; Y252-L257 HydrophobicContact CE1-CB 4.3Å; Y252-M260 HydrophobicContact CE1-CE 4.48Å; Y252-F354 HydrophobicContact CE2-CB 4.22Å; Y252-F354 HydrophobicContact CE2-CD2 4.1Å; Y252-L374 HydrophobicContact CD1-CD1 4.07Å; Y252-L374 HydrophobicContact CD2-CD1 4.19Å; Y252-L374 HydrophobicContact CE1-CD1 3.8Å; Y252-L374 HydrophobicContact CE1-CD2 4.37Å; Y252-L374 HydrophobicContact CE2-CD1 3.94Å; Y252-L374 HydrophobicContact CE2-CD2 4.08Å; Y252-L374 HydrophobicContact CE2-CG 4.44Å; Y252-L374 HydrophobicContact CG-CD1 4.27Å; Y252-L374 WeakPolarHBondContact OH-CD2 3.45Å
253V97.2Very high96.2Very high0 Ų043 Ų430%024%0.235CC..  trans-95105.2172.5179.60000107.8M163 I187 S255 H256 L257 F354M163-V253 HydrophobicContact CE-CG2 3.81Å; M163-V253 HydrophobicContact SD-CG2 3.93Å; I187-V253 HydrophobicContact CG1-CG2 3.86Å; V253-S255 VanDerWaalsContact C-N 3.28Å; V253-S255 WeakPolarHBondContact CG1-OG 3.36Å; V253-S255 PolarHBondContact O-N 3.41Å; V253-H256 HydrophobicContact CB-CB 4.2Å; V253-H256 HydrophobicContact CG1-CB 4.29Å; V253-H256 WeakPolarHBondContact O-CB 3.12Å; V253-H256 PolarHBondContact O-N 3.4Å; V253-L257 PolarHBondContact O-N 2.67Å; V253-F354 HydrophobicContact CG2-CE2 4.19Å
254P95.8Very high96.3Very high25 Ų2541.8 Ų41.816%0.16222%0.224CC..Hα-helixtrans-58.2-39-171.8-26.535.6000112.9S186 D188 V196 Y252 H256 L257 F258S186-P254 WeakPolarHBondContact O-CD 3.42Å; D188-P254 HydrophobicContact CB-CG 3.6Å; V196-P254 HydrophobicContact CG2-CB 4.43Å; Y252-P254 WeakPolarHBondContact O-CD 3.28Å; P254-H256 VanDerWaalsContact C-N 3.29Å; P254-H256 PolarHBondContact O-N 3.23Å; P254-L257 PolarHBondContact O-N 3.12Å; P254-L257 VanDerWaalsContact O-N 3.14Å; P254-F258 WeakPolarHBondContact O-CB 3.28Å; P254-F258 PolarHBondContact O-N 3.35Å
255S92.9Very high96.4Very high69 Ų6937.1 Ų37.148%0.48319%0.194SC..Hα-helixtrans-63.9-28.9178.861.80000114.2V253 H259V253-S255 VanDerWaalsContact C-N 3.28Å; V253-S255 WeakPolarHBondContact CG1-OG 3.36Å; V253-S255 PolarHBondContact O-N 3.41Å; S255-H259 WeakPolarHBondContact O-CB 3.14Å; S255-H259 PolarHBondContact O-N 3.36Å; S255-H259 VanDerWaalsContact O-N 3.14Å
256H96.7Very high96.4Very high16 Ų1629.8 Ų29.87%0.07415%0.154CC..Hα-helixtrans-71.9-43.7173.9-68.2-172.3000110.6Y252 V253 P254 H259 M260 Y350Y252-H256 HydrophobicContact CE1-CB 4.1Å; V253-H256 HydrophobicContact CB-CB 4.2Å; V253-H256 HydrophobicContact CG1-CB 4.29Å; V253-H256 WeakPolarHBondContact O-CB 3.12Å; V253-H256 PolarHBondContact O-N 3.4Å; P254-H256 VanDerWaalsContact C-N 3.29Å; P254-H256 PolarHBondContact O-N 3.23Å; H256-H259 PolarHBondContact O-N 3.06Å; H256-M260 WeakPolarHBondContact O-CG 3.49Å; H256-M260 PolarHBondContact O-N 3.43Å; H256-Y350 HydrophobicContact CB-CD1 3.89Å; H256-Y350 HydrophobicContact CB-CE1 4.42Å; H256-Y350 AromaticContact CD2-CD1 3.82Å; H256-Y350 AromaticContact CD2-CE1 3.54Å; H256-Y350 AromaticContact CG-CD1 3.6Å; H256-Y350 AromaticContact CG-CE1 3.84Å; H256-Y350 AromaticContact ND1-CD1 3.88Å; H256-Y350 AromaticContact NE2-CE1 3.8Å
257L97.4Very high96.4Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-63.4-48.4177.217757.6000111V193 V196 Y252 V253 P254 H259 M260 L261 I299 L374V193-L257 HydrophobicContact CG1-CD2 4.32Å; V196-L257 HydrophobicContact CB-CD2 3.97Å; V196-L257 HydrophobicContact CB-CG 4.34Å; V196-L257 HydrophobicContact CG1-CB 4.18Å; V196-L257 HydrophobicContact CG1-CD2 3.99Å; V196-L257 HydrophobicContact CG1-CG 3.82Å; V196-L257 HydrophobicContact CG2-CD2 4.21Å; Y252-L257 HydrophobicContact CD1-CB 4.09Å; Y252-L257 HydrophobicContact CE1-CB 4.3Å; V253-L257 PolarHBondContact O-N 2.67Å; P254-L257 PolarHBondContact O-N 3.12Å; P254-L257 VanDerWaalsContact O-N 3.14Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 2.97Å; L257-M260 HydrophobicContact CD1-CE 4.11Å; L257-M260 PolarHBondContact O-N 3.18Å; L257-L261 HydrophobicContact CD1-CD1 3.82Å; L257-L261 HydrophobicContact CD1-CG 4.03Å; L257-L261 HydrophobicContact CG-CD1 3.78Å; L257-L261 HydrophobicContact CG-CG 4.43Å; L257-L261 WeakPolarHBondContact O-CG 3.28Å; L257-L261 PolarHBondContact O-N 3.16Å; L257-I299 HydrophobicContact CD1-CD1 3.59Å; L257-L374 HydrophobicContact CD1-CD1 4.31Å
258F95.2Very high96.5Very high56 Ų5622.5 Ų22.525%0.24612%0.119CC..Hα-helixtrans-50.6-51.1173.8172.3-91.5000111.8V196 P214 D215 A216 P254 M260 L261 F262V196-F258 HydrophobicContact CG1-CB 4.04Å; P214-F258 WeakPolarHBondContact O-CE2 3.48Å; D215-F258 VanDerWaalsContact C-CE2 3.47Å; A216-F258 VanDerWaalsContact CA-CE2 3.42Å; A216-F258 HydrophobicContact CB-CD2 3.82Å; A216-F258 HydrophobicContact CB-CE2 4.05Å; P254-F258 WeakPolarHBondContact O-CB 3.28Å; P254-F258 PolarHBondContact O-N 3.35Å; F258-M260 VanDerWaalsContact C-N 3.31Å; F258-M260 PolarHBondContact O-N 3.38Å; F258-L261 PolarHBondContact O-N 2.62Å; F258-F262 HydrophobicContact CE1-CB 4.23Å; F258-F262 HydrophobicContact CE1-CG 4.44Å; F258-F262 HydrophobicContact CZ-CB 4.3Å; F258-F262 HydrophobicContact CZ-CD2 4.5Å; F258-F262 HydrophobicContact CZ-CG 4.44Å; F258-F262 WeakPolarHBondContact O-CB 3.26Å; F258-F262 PolarHBondContact O-N 3.31Å
259H93.3Very high96.5Very high47 Ų4722.5 Ų22.522%0.21812%0.119CC..Hα-helixtrans-58.9-42.1-178.1-177.879.1000112.5S255 H256 L257 E263 Y350S255-H259 WeakPolarHBondContact O-CB 3.14Å; S255-H259 PolarHBondContact O-N 3.36Å; S255-H259 VanDerWaalsContact O-N 3.14Å; H256-H259 PolarHBondContact O-N 3.06Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 2.97Å; H259-E263 WeakPolarHBondContact O-CG 3.46Å; H259-E263 PolarHBondContact O-N 3.09Å; H259-E263 VanDerWaalsContact O-N 3.16Å; H259-Y350 HydrophobicContact CB-CE2 4.42Å; H259-Y350 AromaticContact CD2-CD2 3.37Å; H259-Y350 WeakPolarHBondContact CD2-CD2 3.5Å; H259-Y350 AromaticContact CD2-CE2 3.26Å; H259-Y350 WeakPolarHBondContact CD2-CE2 3.43Å; H259-Y350 AromaticContact CG-CE2 3.84Å; H259-Y350 AromaticContact NE2-CE2 3.68Å
260M97.7Very high96.4Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-65.7-46.7177.9-64.7-176.6-68.900111.6Y252 H256 L257 F258 L264 S347 A351 I372 L374Y252-M260 HydrophobicContact CE1-CE 4.48Å; H256-M260 WeakPolarHBondContact O-CG 3.49Å; H256-M260 PolarHBondContact O-N 3.43Å; L257-M260 HydrophobicContact CD1-CE 4.11Å; L257-M260 PolarHBondContact O-N 3.18Å; F258-M260 VanDerWaalsContact C-N 3.31Å; F258-M260 PolarHBondContact O-N 3.38Å; M260-L264 VanDerWaalsContact O-CG 3.28Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 2.97Å; M260-L264 VanDerWaalsContact O-N 3.14Å; M260-S347 WeakPolarHBondContact CG-O 3.44Å; M260-S347 VanDerWaalsContact SD-O 3.4Å; M260-A351 HydrophobicContact SD-CB 3.62Å; M260-A351 PolarHBondContact SD-N 2.7Å; M260-I372 HydrophobicContact CB-CD1 3.65Å; M260-I372 HydrophobicContact CE-CG2 4.02Å; M260-I372 HydrophobicContact SD-CD1 4.47Å; M260-I372 HydrophobicContact SD-CG2 4.15Å; M260-L374 HydrophobicContact CE-CD2 4.24Å
261L97.8Very high96.3Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-63.4-47.2179.6-68.5169.7000111.2V196 V197 A216 L257 F258 E263 L264 F265 I299 I301 I372V196-L261 HydrophobicContact CB-CD1 4.48Å; V196-L261 HydrophobicContact CG1-CD1 4.04Å; V197-L261 HydrophobicContact CB-CD1 4.47Å; V197-L261 HydrophobicContact CG2-CD1 3.64Å; V197-L261 HydrophobicContact CG2-CD2 4.1Å; A216-L261 HydrophobicContact CB-CB 3.51Å; A216-L261 HydrophobicContact CB-CD1 4.39Å; L257-L261 HydrophobicContact CD1-CD1 3.82Å; L257-L261 HydrophobicContact CD1-CG 4.03Å; L257-L261 HydrophobicContact CG-CD1 3.78Å; L257-L261 HydrophobicContact CG-CG 4.43Å; L257-L261 WeakPolarHBondContact O-CG 3.28Å; L257-L261 PolarHBondContact O-N 3.16Å; F258-L261 PolarHBondContact O-N 2.62Å; L261-E263 PolarHBondContact O-N 3.36Å; L261-L264 PolarHBondContact O-N 3.49Å; L261-L264 VanDerWaalsContact O-N 3.17Å; L261-F265 HydrophobicContact CB-CD2 4.22Å; L261-F265 HydrophobicContact CB-CE2 4.02Å; L261-F265 HydrophobicContact CD2-CE2 4.44Å; L261-F265 WeakPolarHBondContact O-CB 3.16Å; L261-F265 WeakPolarHBondContact O-CD2 3.42Å; L261-F265 WeakPolarHBondContact O-CG 3.46Å; L261-F265 PolarHBondContact O-N 3.25Å; L261-I299 HydrophobicContact CD2-CG2 3.99Å; L261-I301 HydrophobicContact CD2-CD1 3.89Å; L261-I372 HydrophobicContact CD2-CD1 4Å; L261-I372 HydrophobicContact CG-CD1 4.4Å
262F94.7Very high96.3Very high23 Ų2319.1 Ų19.110%0.10110%0.104CC..Hα-helixtrans-56.9-47.3179.3169.5-106000112.1A216 T219 A220 L223 F258 L264 F265 K266A216-F262 HydrophobicContact CB-CB 4.36Å; T219-F262 HydrophobicContact CG2-CD2 4.09Å; T219-F262 HydrophobicContact CG2-CE2 3.68Å; A220-F262 HydrophobicContact CB-CD2 4.04Å; A220-F262 HydrophobicContact CB-CE2 4.25Å; L223-F262 HydrophobicContact CD1-CE2 3.74Å; L223-F262 HydrophobicContact CD1-CZ 3.53Å; F258-F262 HydrophobicContact CE1-CB 4.23Å; F258-F262 HydrophobicContact CE1-CG 4.44Å; F258-F262 HydrophobicContact CZ-CB 4.3Å; F258-F262 HydrophobicContact CZ-CD2 4.5Å; F258-F262 HydrophobicContact CZ-CG 4.44Å; F258-F262 WeakPolarHBondContact O-CB 3.26Å; F258-F262 PolarHBondContact O-N 3.31Å; F262-L264 PolarHBondContact O-N 3.41Å; F262-F265 PolarHBondContact O-N 3.08Å; F262-K266 HydrophobicContact CE1-CD 3.87Å; F262-K266 VanDerWaalsContact CE1-CE 3.42Å; F262-K266 HydrophobicContact CE2-CD 4.02Å; F262-K266 HydrophobicContact CE2-CG 4.12Å; F262-K266 HydrophobicContact CZ-CD 3.57Å; F262-K266 HydrophobicContact CZ-CG 4.19Å; F262-K266 WeakPolarHBondContact O-CG 3.28Å; F262-K266 PolarHBondContact O-N 2.92Å
263E95.2Very high96.2Very high26 Ų2619.2 Ų19.212%0.12111%0.105CC..Hα-helixtrans-66.3-37.5178.1-71.9-62138.500112.3H259 L261 K266 N267 G343 S347H259-E263 WeakPolarHBondContact O-CG 3.46Å; H259-E263 PolarHBondContact O-N 3.09Å; H259-E263 VanDerWaalsContact O-N 3.16Å; L261-E263 PolarHBondContact O-N 3.36Å; E263-K266 VanDerWaalsContact CD-CE 3.44Å; E263-K266 VanDerWaalsContact OE1-CE 3.22Å; E263-K266 WeakPolarHBondContact OE1-CE 3.4Å; E263-K266 IonicContact OE1-NZ 2.87Å; E263-K266 PolarHBondContact OE1-NZ 3.17Å; E263-K266 WeakPolarHBondContact OE2-CE 3.46Å; E263-K266 IonicContact OE2-NZ 3.21Å; E263-K266 PolarHBondContact OE2-NZ 2.71Å; E263-N267 VanDerWaalsContact O-CG 3.29Å; E263-N267 PolarHBondContact O-N 2.88Å; E263-N267 PolarHBondContact O-ND2 2.85Å; E263-G343 VanDerWaalsContact OE2-CA 3.25Å; E263-G343 WeakPolarHBondContact OE2-CA 3.47Å; E263-S347 WeakPolarHBondContact CB-OG 3.25Å
264L97.4Very high96.1Very high4 Ų423.1 Ų23.12%0.02112%0.123CC..Hα-helixtrans-68.8-43.8176.2-68.4-179.4000111.9M260 L261 F262 K266 N267 S268 I301 L344 L358 A370 I372M260-L264 VanDerWaalsContact O-CG 3.28Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 2.97Å; M260-L264 VanDerWaalsContact O-N 3.14Å; L261-L264 PolarHBondContact O-N 3.49Å; L261-L264 VanDerWaalsContact O-N 3.17Å; F262-L264 PolarHBondContact O-N 3.41Å; L264-K266 PolarHBondContact O-N 3.37Å; L264-N267 PolarHBondContact O-N 3.21Å; L264-N267 VanDerWaalsContact O-N 3.15Å; L264-S268 PolarHBondContact O-N 3.45Å; L264-S268 PolarHBondContact O-OG 3.47Å; L264-I301 HydrophobicContact CB-CD1 3.69Å; L264-I301 HydrophobicContact CD1-CD1 3.98Å; L264-L344 HydrophobicContact CD2-CD2 3.64Å; L264-L358 HydrophobicContact CD1-CD1 4.14Å; L264-L358 HydrophobicContact CD2-CD1 4.31Å; L264-L358 HydrophobicContact CG-CD1 4.44Å; L264-A370 HydrophobicContact CD1-CB 3.89Å; L264-A370 HydrophobicContact CD2-CB 3.84Å; L264-A370 HydrophobicContact CG-CB 4.38Å; L264-I372 HydrophobicContact CD1-CD1 3.86Å; L264-I372 HydrophobicContact CD1-CG1 3.9Å
265F97.5Very high96.1Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-61-45.2176.5-74.5-49.7000112V197 A216 Y217 A220 L234 L261 F262 N267 S268 M269 V286 I301V197-F265 HydrophobicContact CG1-CE2 4.26Å; V197-F265 HydrophobicContact CG1-CZ 3.92Å; A216-F265 HydrophobicContact CB-CD2 4.14Å; A216-F265 HydrophobicContact CB-CE2 4.25Å; Y217-F265 AromaticContact CD2-CD1 3.69Å; Y217-F265 HydrophobicContact CD2-CD1 3.69Å; Y217-F265 HydrophobicContact CD2-CD2 4.21Å; Y217-F265 AromaticContact CD2-CE1 3.84Å; Y217-F265 HydrophobicContact CD2-CE1 3.84Å; Y217-F265 HydrophobicContact CD2-CE2 4.32Å; Y217-F265 AromaticContact CD2-CG 3.91Å; Y217-F265 HydrophobicContact CD2-CG 3.91Å; Y217-F265 HydrophobicContact CD2-CZ 4.16Å; Y217-F265 HydrophobicContact CE2-CD1 4.19Å; Y217-F265 HydrophobicContact CE2-CE1 4.43Å; A220-F265 HydrophobicContact CB-CB 3.73Å; L234-F265 HydrophobicContact CD1-CE1 4.01Å; L234-F265 HydrophobicContact CD1-CZ 4.24Å; L261-F265 HydrophobicContact CB-CD2 4.22Å; L261-F265 HydrophobicContact CB-CE2 4.02Å; L261-F265 HydrophobicContact CD2-CE2 4.44Å; L261-F265 WeakPolarHBondContact O-CB 3.16Å; L261-F265 WeakPolarHBondContact O-CD2 3.42Å; L261-F265 WeakPolarHBondContact O-CG 3.46Å; L261-F265 PolarHBondContact O-N 3.25Å; F262-F265 PolarHBondContact O-N 3.08Å; F265-N267 VanDerWaalsContact C-N 3.28Å; F265-N267 PolarHBondContact O-N 3.36Å; F265-S268 PolarHBondContact O-N 2.87Å; F265-M269 VanDerWaalsContact O-CB 3.29Å; F265-M269 WeakPolarHBondContact O-CB 3.4Å; F265-M269 WeakPolarHBondContact O-CG 3.35Å; F265-M269 PolarHBondContact O-N 3.27Å; F265-V286 HydrophobicContact CD1-CG1 4.06Å; F265-V286 HydrophobicContact CE1-CG1 4.02Å; F265-I301 HydrophobicContact CD1-CD1 4.19Å; F265-I301 HydrophobicContact CD1-CG2 4.19Å; F265-I301 HydrophobicContact CE1-CD1 3.83Å; F265-I301 HydrophobicContact CE1-CG1 4.06Å; F265-I301 HydrophobicContact CE1-CG2 3.98Å; F265-I301 HydrophobicContact CE2-CD1 4.31Å; F265-I301 HydrophobicContact CZ-CD1 3.88Å; F265-I301 HydrophobicContact CZ-CG1 4.25Å
266K94.4Very high96.3Very high12 Ų1222.7 Ų22.75%0.05211%0.111CC..Hα-helixtrans-55-43.8173.2-76.6-168.1-60.5164.80112.6A220 L223 F262 E263 L264 R270 L337A220-K266 HydrophobicContact CB-CG 3.95Å; L223-K266 HydrophobicContact CD1-CD 4.33Å; F262-K266 HydrophobicContact CE1-CD 3.87Å; F262-K266 VanDerWaalsContact CE1-CE 3.42Å; F262-K266 HydrophobicContact CE2-CD 4.02Å; F262-K266 HydrophobicContact CE2-CG 4.12Å; F262-K266 HydrophobicContact CZ-CD 3.57Å; F262-K266 HydrophobicContact CZ-CG 4.19Å; F262-K266 WeakPolarHBondContact O-CG 3.28Å; F262-K266 PolarHBondContact O-N 2.92Å; E263-K266 VanDerWaalsContact CD-CE 3.44Å; E263-K266 VanDerWaalsContact OE1-CE 3.22Å; E263-K266 WeakPolarHBondContact OE1-CE 3.4Å; E263-K266 IonicContact OE1-NZ 2.87Å; E263-K266 PolarHBondContact OE1-NZ 3.17Å; E263-K266 WeakPolarHBondContact OE2-CE 3.46Å; E263-K266 IonicContact OE2-NZ 3.21Å; E263-K266 PolarHBondContact OE2-NZ 2.71Å; L264-K266 PolarHBondContact O-N 3.37Å; K266-R270 WeakPolarHBondContact O-CB 3.22Å; K266-R270 PolarHBondContact O-N 3.3Å; K266-L337 HydrophobicContact CB-CD1 4.22Å; K266-L337 HydrophobicContact CD-CD1 3.97Å; K266-L337 HydrophobicContact CG-CD1 3.86Å
267N95.8Very high96.2Very high53 Ų5327 Ų2728%0.28313%0.131SC..Hα-helixtrans-66.7-45.7-179.8-70.8-41.6000111.7E263 L264 F265 A271E263-N267 VanDerWaalsContact O-CG 3.29Å; E263-N267 PolarHBondContact O-N 2.88Å; E263-N267 PolarHBondContact O-ND2 2.85Å; L264-N267 PolarHBondContact O-N 3.21Å; L264-N267 VanDerWaalsContact O-N 3.15Å; F265-N267 VanDerWaalsContact C-N 3.28Å; F265-N267 PolarHBondContact O-N 3.36Å; N267-A271 WeakPolarHBondContact O-CB 3.08Å; N267-A271 PolarHBondContact O-N 2.77Å
268S97.8Very high95.9Very high5 Ų534.1 Ų34.14%0.03517%0.169CC..Hα-helixtrans-66-42.2178.4-72.30000112.5L264 F265 T272 D303L264-S268 PolarHBondContact O-N 3.45Å; L264-S268 PolarHBondContact O-OG 3.47Å; F265-S268 PolarHBondContact O-N 2.87Å; S268-T272 VanDerWaalsContact O-CB 3.31Å; S268-T272 WeakPolarHBondContact O-CB 3.32Å; S268-T272 PolarHBondContact O-N 3.28Å; S268-T272 PolarHBondContact O-OG1 3.06Å; S268-D303 WeakPolarHBondContact CA-OD2 3.46Å; S268-D303 WeakPolarHBondContact CB-OD2 3.46Å; S268-D303 PolarHBondContact OG-OD2 3.19Å
269M97.2Very high95.7Very high0 Ų037.8 Ų37.80%018%0.182CC..Hα-helixtrans-62.2-50.5175.1-71.6175.4174.900110.9Y217 A220 K221 C224 P232 F265 A271 T272 V273Y217-M269 HydrophobicContact CD1-CE 4.33Å; Y217-M269 HydrophobicContact CD2-CE 3.59Å; Y217-M269 HydrophobicContact CE1-CE 3.97Å; Y217-M269 HydrophobicContact CE2-CE 3.17Å; Y217-M269 HydrophobicContact CG-CE 4.15Å; A220-M269 VanDerWaalsContact C-SD 3.5Å; A220-M269 HydrophobicContact CB-CE 4.09Å; A220-M269 HydrophobicContact CB-SD 3.8Å; K221-M269 HydrophobicContact CB-CE 3.89Å; K221-M269 HydrophobicContact CG-CE 4.47Å; C224-M269 HydrophobicContact CB-CB 4.31Å; C224-M269 HydrophobicContact CB-SD 3.88Å; P232-M269 HydrophobicContact CG-CG 4.5Å; F265-M269 VanDerWaalsContact O-CB 3.29Å; F265-M269 WeakPolarHBondContact O-CB 3.4Å; F265-M269 WeakPolarHBondContact O-CG 3.35Å; F265-M269 PolarHBondContact O-N 3.27Å; M269-A271 PolarHBondContact O-N 3.15Å; M269-T272 PolarHBondContact O-N 3.01Å; M269-V273 WeakPolarHBondContact O-CB 3.18Å; M269-V273 WeakPolarHBondContact O-CG2 3.19Å; M269-V273 PolarHBondContact O-N 3.03Å
270R95.2Very high95.6Very high33 Ų3345.1 Ų45.113%0.12521%0.213CC..Hα-helixtrans-55.1-51.8176.8175.2174.2178.1-135.2-12.3111.8K266 T272 V273 E274 L337K266-R270 WeakPolarHBondContact O-CB 3.22Å; K266-R270 PolarHBondContact O-N 3.3Å; R270-T272 VanDerWaalsContact C-N 3.3Å; R270-T272 PolarHBondContact O-N 3.24Å; R270-V273 PolarHBondContact O-N 3Å; R270-E274 HydrophobicContact CG-CG 4.25Å; R270-E274 WeakPolarHBondContact CG-OE1 3.5Å; R270-E274 IonicContact CZ-OE1 2.76Å; R270-E274 IonicContact CZ-OE2 3.66Å; R270-E274 IonicContact NE-OE1 2.6Å; R270-E274 PolarHBondContact NE-OE1 3.49Å; R270-E274 IonicContact NE-OE2 3.09Å; R270-E274 IonicContact NH2-OE1 3.87Å; R270-E274 PolarHBondContact NH2-OE1 3.36Å; R270-E274 VanDerWaalsContact NH2-OE1 3.09Å; R270-E274 IonicContact NH2-OE2 3.38Å; R270-E274 WeakPolarHBondContact O-CB 3.27Å; R270-E274 VanDerWaalsContact O-CG 3.31Å; R270-E274 WeakPolarHBondContact O-CG 3.45Å; R270-E274 PolarHBondContact O-N 2.92Å; R270-L337 HydrophobicContact CB-CD2 4.08Å
271A96.4Very high94.9Very high31 Ų3150.9 Ų50.926%0.25624%0.24SC..Hα-helixtrans-62.5-38.3-178.500000112.2N267 M269 L275N267-A271 WeakPolarHBondContact O-CB 3.08Å; N267-A271 PolarHBondContact O-N 2.77Å; M269-A271 PolarHBondContact O-N 3.15Å; A271-L275 WeakPolarHBondContact O-CB 3.35Å; A271-L275 PolarHBondContact O-N 2.98Å
272T97.9Very high94.7Very high1 Ų153.8 Ų53.81%0.00627%0.27CS..Hα-helixtrans-69.5-46.7177.7-56.50000111.3P232 S268 M269 R270 L275 Y276 P284P232-T272 HydrophobicContact CG-CG2 3.76Å; S268-T272 VanDerWaalsContact O-CB 3.31Å; S268-T272 WeakPolarHBondContact O-CB 3.32Å; S268-T272 PolarHBondContact O-N 3.28Å; S268-T272 PolarHBondContact O-OG1 3.06Å; M269-T272 PolarHBondContact O-N 3.01Å; R270-T272 VanDerWaalsContact C-N 3.3Å; R270-T272 PolarHBondContact O-N 3.24Å; T272-L275 PolarHBondContact O-N 3.17Å; T272-Y276 HydrophobicContact CG2-CD2 4.21Å; T272-Y276 VanDerWaalsContact O-CD2 3.28Å; T272-Y276 WeakPolarHBondContact O-CD2 3.28Å; T272-Y276 PolarHBondContact O-N 3.45Å; T272-Y276 VanDerWaalsContact O-N 3.17Å; T272-P284 HydrophobicContact CG2-CG 3.75Å
273V96.8Very high94.8Very high2 Ų256.8 Ų56.81%0.01228%0.281CS..Hα-helixtrans-65.9-48.4-179175.80000111.2Y228 V230 P232 M269 R270 L275 Y276 E277 Y283Y228-V273 HydrophobicContact CD1-CG1 3.71Å; Y228-V273 HydrophobicContact CD2-CB 4.44Å; Y228-V273 HydrophobicContact CD2-CG1 4.14Å; Y228-V273 HydrophobicContact CE1-CG1 4.35Å; Y228-V273 HydrophobicContact CG-CB 4.38Å; Y228-V273 HydrophobicContact CG-CG1 3.61Å; V230-V273 HydrophobicContact CG1-CG1 4.19Å; V230-V273 HydrophobicContact CG1-CG2 4.48Å; P232-V273 HydrophobicContact CG-CG2 4.4Å; M269-V273 WeakPolarHBondContact O-CB 3.18Å; M269-V273 WeakPolarHBondContact O-CG2 3.19Å; M269-V273 PolarHBondContact O-N 3.03Å; R270-V273 PolarHBondContact O-N 3Å; V273-L275 PolarHBondContact O-N 3.2Å; V273-Y276 PolarHBondContact O-N 3.26Å; V273-E277 WeakPolarHBondContact O-CB 3.38Å; V273-E277 PolarHBondContact O-N 2.71Å; V273-Y283 HydrophobicContact CB-CE1 4.37Å; V273-Y283 HydrophobicContact CG1-CE1 4.19Å; V273-Y283 HydrophobicContact CG2-CD1 4.31Å; V273-Y283 HydrophobicContact CG2-CE1 4.31Å
274E95.1Very high94.9Very high82 Ų8256.7 Ų56.738%0.38328%0.283SS..Hα-helixtrans-59.7-28.9178.6-71.6179.3173.500112.6Y228 R270Y228-E274 HydrophobicContact CE1-CG 4.22Å; Y228-E274 PolarHBondContact OH-OE1 2.88Å; R270-E274 HydrophobicContact CG-CG 4.25Å; R270-E274 WeakPolarHBondContact CG-OE1 3.5Å; R270-E274 IonicContact CZ-OE1 2.76Å; R270-E274 IonicContact CZ-OE2 3.66Å; R270-E274 IonicContact NE-OE1 2.6Å; R270-E274 PolarHBondContact NE-OE1 3.49Å; R270-E274 IonicContact NE-OE2 3.09Å; R270-E274 IonicContact NH2-OE1 3.87Å; R270-E274 PolarHBondContact NH2-OE1 3.36Å; R270-E274 VanDerWaalsContact NH2-OE1 3.09Å; R270-E274 IonicContact NH2-OE2 3.38Å; R270-E274 WeakPolarHBondContact O-CB 3.27Å; R270-E274 VanDerWaalsContact O-CG 3.31Å; R270-E274 WeakPolarHBondContact O-CG 3.45Å; R270-E274 PolarHBondContact O-N 2.92Å
275L96.4Very high94.9Very high51 Ų5157.4 Ų57.427%0.26729%0.289SS..Hα-helixtrans-80.9-33.5178.8179.562.6000113.5A271 T272 V273 R279 L304 G305 G306A271-L275 WeakPolarHBondContact O-CB 3.35Å; A271-L275 PolarHBondContact O-N 2.98Å; T272-L275 PolarHBondContact O-N 3.17Å; V273-L275 PolarHBondContact O-N 3.2Å; L275-R279 PolarHBondContact O-NE 3.32Å; L275-L304 WeakPolarHBondContact CD2-O 3.31Å; L275-G305 VanDerWaalsContact CD2-C 3.48Å; L275-G306 VanDerWaalsContact CD2-N 3.3Å
276Y96.9Very high95Very high35 Ų3557.4 Ų57.414%0.13729%0.289CS..Hα-helixtrans-105-3.2-171.7-72.8-96000113.9T272 V273 D278 R279 E281 P284 L304T272-Y276 HydrophobicContact CG2-CD2 4.21Å; T272-Y276 VanDerWaalsContact O-CD2 3.28Å; T272-Y276 WeakPolarHBondContact O-CD2 3.28Å; T272-Y276 PolarHBondContact O-N 3.45Å; T272-Y276 VanDerWaalsContact O-N 3.17Å; V273-Y276 PolarHBondContact O-N 3.26Å; Y276-D278 PolarHBondContact O-N 3.39Å; Y276-D278 VanDerWaalsContact O-N 3.16Å; Y276-R279 HydrophobicContact CD1-CB 4.02Å; Y276-R279 HydrophobicContact CD1-CG 4.45Å; Y276-R279 PolarHBondContact O-N 3Å; Y276-E281 HydrophobicContact CD1-CB 4.46Å; Y276-E281 VanDerWaalsContact CD1-O 3.3Å; Y276-E281 WeakPolarHBondContact CD1-O 3.23Å; Y276-E281 HydrophobicContact CE1-CB 4.29Å; Y276-P284 HydrophobicContact CD2-CG 4.25Å; Y276-P284 HydrophobicContact CE1-CG 4.41Å; Y276-P284 HydrophobicContact CE2-CG 3.67Å; Y276-L304 WeakPolarHBondContact CE2-O 3.2Å
277E93.1Very high95.2Very high106 Ų10662 Ų6250%0.49531%0.309SS..THydrogen-bonded Turntrans-54-35.9178.864.8-178.6-124.100113.4V273V273-E277 WeakPolarHBondContact O-CB 3.38Å; V273-E277 PolarHBondContact O-N 2.71Å
278D91.5Very high95.3Very high149 Ų14959.7 Ų59.780%0.79730%0.297SS*.THydrogen-bonded Turntrans-100.36.6179.1-69.8-40.9000113.6Y276Y276-D278 PolarHBondContact O-N 3.39Å; Y276-D278 VanDerWaalsContact O-N 3.16Å
279R92.5Very high95.4Very high133 Ų13361.9 Ų61.950%0.50231%0.308SS..  trans-101.3156.9-174.9-66.7-160-175.4-158.41.4112.2L275 Y276 E281L275-R279 PolarHBondContact O-NE 3.32Å; Y276-R279 HydrophobicContact CD1-CB 4.02Å; Y276-R279 HydrophobicContact CD1-CG 4.45Å; Y276-R279 PolarHBondContact O-N 3Å; R279-E281 WeakPolarHBondContact CB-OE2 3.43Å
280K91.2Very high95.4Very high202 Ų20261.9 Ų61.988%0.87831%0.308SS*.SBendtrans-92.8-25-179.6-62.2-178.5-176.8175.20112G282K280-G282 PolarHBondContact O-N 2.84Å
281E82.8Confident95.6Very high121 Ų12162 Ų6257%0.56531%0.312SS*.SBendtrans-68.5108.9170.7-54.678.8-176.400106.2Y276 R279Y276-E281 HydrophobicContact CD1-CB 4.46Å; Y276-E281 VanDerWaalsContact CD1-O 3.3Å; Y276-E281 WeakPolarHBondContact CD1-O 3.23Å; Y276-E281 HydrophobicContact CE1-CB 4.29Å; R279-E281 WeakPolarHBondContact CB-OE2 3.43Å
282G92.5Very high95.7Very high61 Ų6161.1 Ų61.163%0.62930%0.303SS*.PPolyproline II helixtrans-55.8170.2-178.200000113.6K280 P284K280-G282 PolarHBondContact O-N 2.84Å; G282-P284 WeakPolarHBondContact O-CD 3.39Å
283Y97Very high95.7Very high85 Ų8562.2 Ų62.233%0.33332%0.315SS..PPolyproline II helixtrans-61.9120-174.4-57.4-80.6000112.1V230 V273V230-Y283 HydrophobicContact CB-CE2 4.24Å; V230-Y283 HydrophobicContact CG1-CD2 4.46Å; V230-Y283 HydrophobicContact CG1-CE1 4.21Å; V230-Y283 HydrophobicContact CG1-CE2 3.75Å; V230-Y283 HydrophobicContact CG2-CD2 3.72Å; V230-Y283 HydrophobicContact CG2-CE2 3.58Å; V273-Y283 HydrophobicContact CB-CE1 4.37Å; V273-Y283 HydrophobicContact CG1-CE1 4.19Å; V273-Y283 HydrophobicContact CG2-CD1 4.31Å; V273-Y283 HydrophobicContact CG2-CE1 4.31Å
284P97.9Very high95.7Very high25 Ų2570.9 Ų70.916%0.16235%0.353CS..PPolyproline II helixtrans-69144.9174.927.8-33.4000110.8T272 Y276 G282 L304T272-P284 HydrophobicContact CG2-CG 3.75Å; Y276-P284 HydrophobicContact CD2-CG 4.25Å; Y276-P284 HydrophobicContact CE1-CG 4.41Å; Y276-P284 HydrophobicContact CE2-CG 3.67Å; G282-P284 WeakPolarHBondContact O-CD 3.39Å; P284-L304 HydrophobicContact CB-CB 4.24Å; P284-L304 HydrophobicContact CB-CD1 3.88Å; P284-L304 HydrophobicContact CB-CG 4.46Å; P284-L304 HydrophobicContact CG-CB 3.81Å; P284-L304 HydrophobicContact CG-CD1 4.31Å
285A97.9Very high95.9Very high19 Ų1972.4 Ų72.416%0.15736%0.36CS..PPolyproline II helixtrans-63.9148.4176.700000112.3E233 E235E233-A285 CarbonylContact O-C 3.51Å; E233-A285 WeakPolarHBondContact O-CA 3.44Å; E233-A285 VanDerWaalsContact O-CB 3.31Å; E233-A285 WeakPolarHBondContact O-CB 3.36Å; E235-A285 HydrophobicContact CG-CB 3.95Å
286V98.5Very high95.9Very high0 Ų073.1 Ų73.10%036%0.364CS..EExtended strand (participates in β ladder)trans-83125.1166.8177.90000107.8P232 E233 L234 E235 F265 I301P232-V286 HydrophobicContact CB-CG2 3.98Å; P232-V286 HydrophobicContact CG-CG2 4.35Å; E233-V286 PolarHBondContact O-N 3.45Å; L234-V286 WeakPolarHBondContact CD1-O 3.5Å; E235-V286 PolarHBondContact N-O 3.27Å; F265-V286 HydrophobicContact CD1-CG1 4.06Å; F265-V286 HydrophobicContact CE1-CG1 4.02Å; V286-I301 HydrophobicContact CG1-CG2 3.6Å
287K98.7Very high96Very high109 Ų10971.4 Ų71.447%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-104.3128-174.1-59-174.2179.8-167.70110.8E235 I301 S302E235-K287 HydrophobicContact CB-CG 4.27Å; E235-K287 WeakPolarHBondContact OE2-CE 3.45Å; E235-K287 IonicContact OE2-NZ 2.78Å; K287-I301 CarbonylContact O-C 3.56Å; K287-I301 WeakPolarHBondContact O-CA 3.45Å; K287-S302 PolarHBondContact N-O 2.9Å; K287-S302 PolarHBondContact O-N 2.95Å
288T98.8Very high96.3Very high4 Ų467.3 Ų67.33%0.02534%0.34CS..EExtended strand (participates in β ladder)trans-118124.7177.6-570000110.6V197 E235 V236 E237 V290 I299 K300 I301V197-T288 HydrophobicContact CG1-CG2 4.07Å; V197-T288 HydrophobicContact CG2-CG2 4.46Å; E235-T288 PolarHBondContact O-N 2.93Å; V236-T288 CarbonylContact C-O 3.58Å; V236-T288 VanDerWaalsContact CA-O 3.3Å; V236-T288 WeakPolarHBondContact CA-O 3.36Å; V236-T288 HydrophobicContact CG2-CG2 4.45Å; E237-T288 PolarHBondContact N-O 3.48Å; T288-V290 HydrophobicContact CG2-CG2 4.26Å; T288-I299 HydrophobicContact CG2-CG2 3.84Å; T288-K300 CarbonylContact C-O 3.6Å; T288-K300 VanDerWaalsContact CA-O 3.24Å; T288-K300 WeakPolarHBondContact CA-O 3.28Å; T288-I301 HydrophobicContact CG2-CG1 4.28Å
289L98.6Very high96.6Very high50 Ų5060.3 Ų60.326%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-112.2118.7173.8174.965000109.2E237 T291 I299 K300E237-L289 HydrophobicContact CB-CD1 4.03Å; E237-L289 HydrophobicContact CG-CD1 4.09Å; E237-L289 WeakPolarHBondContact O-CA 3.42Å; L289-T291 HydrophobicContact CD1-CG2 4.05Å; L289-T291 HydrophobicContact CD2-CG2 4.1Å; L289-T291 HydrophobicContact CG-CG2 3.81Å; L289-I299 WeakPolarHBondContact O-CA 3.36Å; L289-K300 HydrophobicContact CB-CB 4.43Å; L289-K300 PolarHBondContact N-O 2.78Å; L289-K300 PolarHBondContact O-N 3.04Å
290V98.6Very high96.9Very high0 Ų057.1 Ų57.10%029%0.293CS..EExtended strand (participates in β ladder)trans-103.6126174.8-172.20000108.6V193 E237 E238 F239 I248 T288 I299V193-V290 HydrophobicContact CB-CG1 4.11Å; V193-V290 HydrophobicContact CG1-CG1 3.63Å; V193-V290 HydrophobicContact CG1-CG2 4.29Å; E237-V290 PolarHBondContact O-N 2.77Å; E238-V290 CarbonylContact C-O 3.2Å; E238-V290 VanDerWaalsContact CA-O 3.32Å; E238-V290 WeakPolarHBondContact CA-O 3.3Å; E238-V290 HydrophobicContact CG-CB 4.22Å; F239-V290 PolarHBondContact N-O 3.02Å; I248-V290 HydrophobicContact CB-CG1 4.2Å; I248-V290 HydrophobicContact CD1-CB 4.12Å; I248-V290 HydrophobicContact CD1-CG1 3.68Å; I248-V290 WeakPolarHBondContact CD1-O 3.47Å; I248-V290 HydrophobicContact CG2-CG1 3.97Å; T288-V290 HydrophobicContact CG2-CG2 4.26Å; V290-I299 HydrophobicContact CG1-CG1 4.36Å; V290-I299 HydrophobicContact CG2-CG2 4.33Å
291T98.6Very high97.3Very high36 Ų3647.6 Ų47.622%0.22125%0.251CS..EExtended strand (participates in β ladder)trans-130.3143.8178.865.50000111.3F239 L289 L297 S298F239-T291 HydrophobicContact CB-CG2 4.18Å; F239-T291 WeakPolarHBondContact O-CA 3.35Å; L289-T291 HydrophobicContact CD1-CG2 4.05Å; L289-T291 HydrophobicContact CD2-CG2 4.1Å; L289-T291 HydrophobicContact CG-CG2 3.81Å; T291-L297 WeakPolarHBondContact O-CA 3.18Å; T291-S298 PolarHBondContact N-O 3.23Å; T291-S298 PolarHBondContact O-N 2.81Å; T291-S298 WeakPolarHBondContact OG1-CB 3.4Å; T291-S298 PolarHBondContact OG1-O 3.49Å
292L98.7Very high98.1Very high12 Ų1242.8 Ų42.86%0.06323%0.231CC..EExtended strand (participates in β ladder)trans-124.8110.4175.5-176.163.7000110.4F239 A241 K242 I248 L297 A376F239-L292 PolarHBondContact O-N 3.36Å; F239-L292 VanDerWaalsContact O-N 3.12Å; A241-L292 WeakPolarHBondContact CB-O 3.08Å; A241-L292 PolarHBondContact N-O 3.03Å; K242-L292 HydrophobicContact CD-CD2 4.03Å; K242-L292 HydrophobicContact CD-CG 3.98Å; K242-L292 HydrophobicContact CG-CG 4.45Å; I248-L292 HydrophobicContact CD1-CB 4.15Å; I248-L292 HydrophobicContact CG1-CB 4.1Å; I248-L292 HydrophobicContact CG2-CB 3.96Å; I248-L292 HydrophobicContact CG2-CD2 4.29Å; L292-L297 HydrophobicContact CD1-CB 4.15Å; L292-L297 HydrophobicContact CD1-CD1 3.96Å; L292-A376 HydrophobicContact CD1-CB 3.81Å
293G97.9Very high98.4Very high25 Ų2540.4 Ų40.426%0.25820%0.204SC..  trans-97.3-165.1173.200000112.5K242 D296K242-G293 VanDerWaalsContact CD-O 3.27Å; K242-G293 WeakPolarHBondContact CD-O 3.21Å; G293-D296 PolarHBondContact N-O 3.47Å
294K97.3Very high98.4Very high183 Ų18339.9 Ų39.980%0.79621%0.206SC*.SBendtrans-68.3-44.4177.6-63.7-177.9-176.9175.40112.3
295E97.4Very high98.4Very high115 Ų11539.2 Ų39.254%0.53720%0.204SC..SBendtrans-107.8-33.5-174.3-65.8178.3-151.500112.6A376E295-A376 VanDerWaalsContact O-CB 3.32Å; E295-A376 WeakPolarHBondContact O-CB 3.29Å; E295-A376 PolarHBondContact O-N 3.3Å
296D97.8Very high98.4Very high65 Ų6539 Ų3935%0.34820%0.204SC..EExtended strand (participates in β ladder)trans-115.1136.5-169.2-57-42.6000111.8G293G293-D296 PolarHBondContact N-O 3.47Å
297L98.7Very high98.3Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-96.8120.9154176.897.1000106.9V193 I248 V250 T291 L292 I299 L374V193-L297 HydrophobicContact CG2-CD1 3.95Å; V193-L297 HydrophobicContact CG2-CD2 4.03Å; I248-L297 HydrophobicContact CG2-CD1 3.25Å; V250-L297 HydrophobicContact CG1-CD2 4.28Å; T291-L297 WeakPolarHBondContact O-CA 3.18Å; L292-L297 HydrophobicContact CD1-CB 4.15Å; L292-L297 HydrophobicContact CD1-CD1 3.96Å; L297-I299 HydrophobicContact CD2-CD1 4.28Å; L297-I299 HydrophobicContact CD2-CG1 4.44Å; L297-L374 HydrophobicContact CB-CB 4.27Å; L297-L374 HydrophobicContact CD2-CB 4.05Å; L297-L374 HydrophobicContact CD2-CD1 3.8Å; L297-L374 HydrophobicContact CD2-CG 4.22Å; L297-L374 PolarHBondContact N-O 3.46Å; L297-L374 PolarHBondContact O-N 3.15Å
298S98.8Very high98.3Very high20 Ų2036.5 Ų36.514%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-118.9131.4179.2-48.70000110.8T291 I372 Y373T291-S298 PolarHBondContact N-O 3.23Å; T291-S298 PolarHBondContact O-N 2.81Å; T291-S298 WeakPolarHBondContact OG1-CB 3.4Å; T291-S298 PolarHBondContact OG1-O 3.49Å; S298-I372 WeakPolarHBondContact CA-O 3.25Å; S298-Y373 WeakPolarHBondContact OG-CD1 3.22Å; S298-Y373 WeakPolarHBondContact OG-CE1 3.2Å
299I98.9Very high98.2Very high1 Ų137.8 Ų37.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-120.8114.9176.2-51.4167.8000107.5V193 L257 L261 T288 L289 V290 L297 V371 I372V193-I299 HydrophobicContact CG1-CD1 3.53Å; V193-I299 HydrophobicContact CG1-CG1 4.01Å; L257-I299 HydrophobicContact CD1-CD1 3.59Å; L261-I299 HydrophobicContact CD2-CG2 3.99Å; T288-I299 HydrophobicContact CG2-CG2 3.84Å; L289-I299 WeakPolarHBondContact O-CA 3.36Å; V290-I299 HydrophobicContact CG1-CG1 4.36Å; V290-I299 HydrophobicContact CG2-CG2 4.33Å; L297-I299 HydrophobicContact CD2-CD1 4.28Å; L297-I299 HydrophobicContact CD2-CG1 4.44Å; I299-V371 CarbonylContact O-C 3.54Å; I299-V371 WeakPolarHBondContact O-CA 3.4Å; I299-I372 HydrophobicContact CB-CB 4.38Å; I299-I372 PolarHBondContact N-O 2.64Å; I299-I372 PolarHBondContact O-N 2.9Å
300K98.9Very high98.1Very high67 Ų6742.5 Ų42.529%0.29124%0.236SC..EExtended strand (participates in β ladder)trans-108.7119.5179-179.2175.282.6150.70110.2T288 L289 D369 A370 V371T288-K300 CarbonylContact C-O 3.6Å; T288-K300 VanDerWaalsContact CA-O 3.24Å; T288-K300 WeakPolarHBondContact CA-O 3.28Å; L289-K300 HydrophobicContact CB-CB 4.43Å; L289-K300 PolarHBondContact N-O 2.78Å; L289-K300 PolarHBondContact O-N 3.04Å; K300-D369 HydrophobicContact CD-CB 4.33Å; K300-D369 WeakPolarHBondContact CD-OD2 3.39Å; K300-D369 HydrophobicContact CG-CB 4.43Å; K300-D369 IonicContact NZ-OD2 2.75Å; K300-D369 PolarHBondContact NZ-OD2 3.38Å; K300-A370 CarbonylContact C-O 3.49Å; K300-A370 WeakPolarHBondContact CA-O 3.42Å; K300-V371 HydrophobicContact CB-CG2 4.29Å; K300-V371 HydrophobicContact CD-CG2 4.34Å; K300-V371 HydrophobicContact CG-CG2 4.01Å
301I98.9Very high97.9Very high1 Ų150.6 Ų50.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-102.3125171.5-61.3170.4000107.5L261 L264 F265 V286 K287 T288 D369 A370L261-I301 HydrophobicContact CD2-CD1 3.89Å; L264-I301 HydrophobicContact CB-CD1 3.69Å; L264-I301 HydrophobicContact CD1-CD1 3.98Å; F265-I301 HydrophobicContact CD1-CD1 4.19Å; F265-I301 HydrophobicContact CD1-CG2 4.19Å; F265-I301 HydrophobicContact CE1-CD1 3.83Å; F265-I301 HydrophobicContact CE1-CG1 4.06Å; F265-I301 HydrophobicContact CE1-CG2 3.98Å; F265-I301 HydrophobicContact CE2-CD1 4.31Å; F265-I301 HydrophobicContact CZ-CD1 3.88Å; F265-I301 HydrophobicContact CZ-CG1 4.25Å; V286-I301 HydrophobicContact CG1-CG2 3.6Å; K287-I301 CarbonylContact O-C 3.56Å; K287-I301 WeakPolarHBondContact O-CA 3.45Å; T288-I301 HydrophobicContact CG2-CG1 4.28Å; I301-D369 CarbonylContact O-C 3.51Å; I301-D369 WeakPolarHBondContact O-CA 3.44Å; I301-A370 PolarHBondContact N-O 3.45Å; I301-A370 PolarHBondContact O-N 2.96Å
302S98.9Very high97.7Very high20 Ų2052.4 Ų52.414%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-122.9128.7-176-35.70000109.1K287 T368 D369K287-S302 PolarHBondContact N-O 2.9Å; K287-S302 PolarHBondContact O-N 2.95Å; S302-T368 WeakPolarHBondContact CA-O 3.49Å; S302-D369 VanDerWaalsContact CB-OD1 3.23Å; S302-D369 WeakPolarHBondContact CB-OD1 3.41Å; S302-D369 PolarHBondContact OG-OD1 2.98Å
303D98.8Very high97.5Very high12 Ų1252.6 Ų52.66%0.06427%0.272CS..EExtended strand (participates in β ladder)trans-121.2163.5174.565.261.5000112S268 G305 G367 T368S268-D303 WeakPolarHBondContact CA-OD2 3.46Å; S268-D303 WeakPolarHBondContact CB-OD2 3.46Å; S268-D303 PolarHBondContact OG-OD2 3.19Å; D303-G305 PolarHBondContact OD1-N 2.92Å; D303-G367 VanDerWaalsContact O-CA 3.25Å; D303-G367 WeakPolarHBondContact O-CA 3.33Å; D303-T368 PolarHBondContact N-O 3.4Å; D303-T368 PolarHBondContact O-N 2.75Å; D303-T368 PolarHBondContact OD1-N 2.97Å; D303-T368 VanDerWaalsContact OD1-N 3.15Å
304L98.5Very high97.2Very high73 Ų7357.5 Ų57.538%0.38229%0.292SS..  trans-108.435.9169.9-64.7-179.5000110.8L275 Y276 P284 G306 V366L275-L304 WeakPolarHBondContact CD2-O 3.31Å; Y276-L304 WeakPolarHBondContact CE2-O 3.2Å; P284-L304 HydrophobicContact CB-CB 4.24Å; P284-L304 HydrophobicContact CB-CD1 3.88Å; P284-L304 HydrophobicContact CB-CG 4.46Å; P284-L304 HydrophobicContact CG-CB 3.81Å; P284-L304 HydrophobicContact CG-CD1 4.31Å; L304-G306 PolarHBondContact O-N 3.48Å; L304-G306 VanDerWaalsContact O-N 3.1Å; L304-V366 CarbonylContact C-O 3.59Å; L304-V366 VanDerWaalsContact CA-O 3.31Å; L304-V366 WeakPolarHBondContact CA-O 3.31Å; L304-V366 HydrophobicContact CD2-CG1 3.89Å
305G97.9Very high96.9Very high12 Ų1254.2 Ų54.212%0.12428%0.275CS..SBendtrans-78.922.6-176.700000114.9L275 D303 G307L275-G305 VanDerWaalsContact CD2-C 3.48Å; D303-G305 PolarHBondContact OD1-N 2.92Å; G305-G307 VanDerWaalsContact C-N 3.25Å; G305-G307 PolarHBondContact O-N 3.29Å
306G97.1Very high96.7Very high15 Ų1550.5 Ų50.516%0.15526%0.258CS..  trans82.9-9.7173.700000115.5L275 L304 G365 V366L275-G306 VanDerWaalsContact CD2-N 3.3Å; L304-G306 PolarHBondContact O-N 3.48Å; L304-G306 VanDerWaalsContact O-N 3.1Å; G306-G365 CarbonylContact O-C 3.58Å; G306-G365 WeakPolarHBondContact O-CA 3.4Å; G306-G365 PolarHBondContact O-N 3.02Å; G306-V366 WeakPolarHBondContact CA-O 3.19Å; G306-V366 PolarHBondContact N-O 3.43Å; G306-V366 PolarHBondContact O-N 2.85Å
307G97.4Very high96.6Very high23 Ų2348.1 Ų48.124%0.23725%0.245CC..  trans73.3-176.3170.900000115.6G305 S362G305-G307 VanDerWaalsContact C-N 3.25Å; G305-G307 PolarHBondContact O-N 3.29Å; G307-S362 WeakPolarHBondContact CA-OG 3.27Å
308V97.4Very high96.3Very high33 Ų3350.6 Ų50.620%0.226%0.258CS..  trans-136.6130.3-173-179.20000109.2L310 K312 I313 L316 S362V308-L310 PolarHBondContact O-N 2.55Å; V308-K312 HydrophobicContact CG1-CB 3.73Å; V308-I313 HydrophobicContact CB-CD1 3.93Å; V308-I313 HydrophobicContact CG1-CD1 4.02Å; V308-L316 HydrophobicContact CG1-CD1 4.26Å; V308-L316 HydrophobicContact CG2-CD1 4.38Å; V308-S362 PolarHBondContact N-OG 2.99Å
309P97.5Very high95.8Very high31 Ų3149.9 Ų49.920%0.20125%0.252CS..  trans-57.6138.6175.7-3.30.5000111.6R311 K312 E364P309-R311 PolarHBondContact O-N 2.87Å; P309-K312 HydrophobicContact CG-CD 4.17Å; P309-K312 PolarHBondContact O-N 3.32Å; P309-E364 VanDerWaalsContact CG-OE1 3.3Å; P309-E364 WeakPolarHBondContact CG-OE1 3.33Å
310L96Very high94.8Very high149 Ų14951 Ų5178%0.7826%0.257SS*.Hα-helixtrans-49.4-41.1-175.4-178.460.7000113.3V308 K312 I313V308-L310 PolarHBondContact O-N 2.55Å; L310-K312 PolarHBondContact O-N 2.88Å; L310-I313 HydrophobicContact CD1-CG1 4.4Å; L310-I313 PolarHBondContact O-N 3.21Å; L310-I313 VanDerWaalsContact O-N 3.09Å
311R94.6Very high93.9Very high169 Ų16950.7 Ų50.764%0.63826%0.255SS*.Hα-helixtrans-57.9-21178.5-172.2179.663.281.4-3.4114.2P309P309-R311 PolarHBondContact O-N 2.87Å
312K94.6Very high92.8Very high75 Ų7553.1 Ų53.133%0.32627%0.272SS..Hα-helixtrans-98.2-13.9-179.6-68.5-176.2-179.51750113.4V308 P309 L310 D314 R315 L316V308-K312 HydrophobicContact CG1-CB 3.73Å; P309-K312 HydrophobicContact CG-CD 4.17Å; P309-K312 PolarHBondContact O-N 3.32Å; L310-K312 PolarHBondContact O-N 2.88Å; K312-D314 PolarHBondContact O-N 3.34Å; K312-R315 WeakPolarHBondContact O-CB 3.29Å; K312-R315 PolarHBondContact O-N 2.81Å; K312-L316 PolarHBondContact O-N 3.32Å
313I93.6Very high91.2Very high15 Ų1556.7 Ų56.78%0.07729%0.293CS..Hα-helixtrans-57.2-50.8-173.1-66.3-66.6000111.8V308 L310 R315 L316 L360V308-I313 HydrophobicContact CB-CD1 3.93Å; V308-I313 HydrophobicContact CG1-CD1 4.02Å; L310-I313 HydrophobicContact CD1-CG1 4.4Å; L310-I313 PolarHBondContact O-N 3.21Å; L310-I313 VanDerWaalsContact O-N 3.09Å; I313-R315 PolarHBondContact O-N 2.72Å; I313-L316 HydrophobicContact CD1-CD1 4.26Å; I313-L316 WeakPolarHBondContact O-CB 3.46Å; I313-L316 PolarHBondContact O-N 2.88Å; I313-L316 VanDerWaalsContact O-N 3.08Å; I313-L360 HydrophobicContact CG2-CB 4.49Å
314D92.3Very high89.7Confident128 Ų12856.9 Ų56.968%0.68430%0.297SS*.G310 helixtrans-62.6-31.3179.8-66.3-33.7000112.4K312 L316 F317K312-D314 PolarHBondContact O-N 3.34Å; D314-L316 VanDerWaalsContact C-N 3.26Å; D314-L316 PolarHBondContact O-N 3.49Å; D314-F317 PolarHBondContact O-N 3.04Å
315R91.7Very high88Confident115 Ų11558.7 Ų58.743%0.43431%0.313SS..G310 helixtrans-70-23179.5-57.4-177.5-178.7-161.6-4.2112.5K312 I313 F317 N318 Y321K312-R315 WeakPolarHBondContact O-CB 3.29Å; K312-R315 PolarHBondContact O-N 2.81Å; I313-R315 PolarHBondContact O-N 2.72Å; R315-F317 PolarHBondContact O-N 3.26Å; R315-N318 WeakPolarHBondContact O-CB 3.47Å; R315-N318 PolarHBondContact O-N 3.26Å; R315-Y321 HydrophobicContact CB-CD1 4.12Å; R315-Y321 HydrophobicContact CB-CD2 4.25Å; R315-Y321 HydrophobicContact CB-CE1 4.24Å; R315-Y321 HydrophobicContact CB-CE2 4.4Å; R315-Y321 HydrophobicContact CB-CG 4.12Å; R315-Y321 VanDerWaalsContact O-CB 3.27Å; R315-Y321 WeakPolarHBondContact O-CB 3.16Å; R315-Y321 WeakPolarHBondContact O-CD1 3.28Å
316L93.1Very high86.3Confident36 Ų3665.3 Ų65.319%0.18833%0.334CS..G310 helixtrans-63.2-22.8176.1-63.3175.2000112.6V308 K312 I313 D314 Y321 L344 L360V308-L316 HydrophobicContact CG1-CD1 4.26Å; V308-L316 HydrophobicContact CG2-CD1 4.38Å; K312-L316 PolarHBondContact O-N 3.32Å; I313-L316 HydrophobicContact CD1-CD1 4.26Å; I313-L316 WeakPolarHBondContact O-CB 3.46Å; I313-L316 PolarHBondContact O-N 2.88Å; I313-L316 VanDerWaalsContact O-N 3.08Å; D314-L316 VanDerWaalsContact C-N 3.26Å; D314-L316 PolarHBondContact O-N 3.49Å; L316-Y321 HydrophobicContact CD2-CD1 4.47Å; L316-Y321 HydrophobicContact CD2-CE1 3.99Å; L316-L344 HydrophobicContact CB-CD1 3.88Å; L316-L360 HydrophobicContact CD1-CD1 3.88Å
317F94.8Very high84.6Confident16 Ų1666.1 Ų66.17%0.0734%0.336CS..G310 helixtrans-90.20.3175.1-65.6-72.4000113.4Q148 D314 R315 L344 P345 R348 L358 L360Q148-F317 PolarHBondContact NE2-O 3.38Å; D314-F317 PolarHBondContact O-N 3.04Å; R315-F317 PolarHBondContact O-N 3.26Å; F317-L344 HydrophobicContact CD1-CB 4.37Å; F317-L344 HydrophobicContact CE1-CB 4.37Å; F317-P345 WeakPolarHBondContact O-CB 3.38Å; F317-R348 HydrophobicContact CD1-CB 4.28Å; F317-R348 HydrophobicContact CE1-CB 4.06Å; F317-R348 HydrophobicContact CE1-CG 4.34Å; F317-L358 HydrophobicContact CE1-CD2 4.05Å; F317-L358 HydrophobicContact CZ-CD2 4Å; F317-L360 HydrophobicContact CE2-CD1 4.13Å; F317-L360 HydrophobicContact CE2-CG 4.47Å; F317-L360 HydrophobicContact CZ-CD1 3.89Å; F317-L360 HydrophobicContact CZ-CG 4.06Å
318N91.9Very high82.6Confident51 Ų5168.7 Ų68.727%0.27335%0.351SS..  trans-83.7125.2178.6-68-8000110.9Q148 R315 M320 Y321Q148-N318 VanDerWaalsContact OE1-CA 3.3Å; R315-N318 WeakPolarHBondContact O-CB 3.47Å; R315-N318 PolarHBondContact O-N 3.26Å; N318-M320 PolarHBondContact O-N 3.27Å; N318-Y321 WeakPolarHBondContact O-CB 3.36Å; N318-Y321 PolarHBondContact O-N 2.76Å
319Y88.1Confident80.5Confident6 Ų672.2 Ų72.22%0.02437%0.368CS..THydrogen-bonded Turntrans-60-20.4-179.9-69.7-74.2000114.8Q148 L151 D152 Y155 Y342 P345 I346 L349Q148-Y319 VanDerWaalsContact NE2-CD2 3.29Å; Q148-Y319 VanDerWaalsContact OE1-CD2 3.27Å; Q148-Y319 VanDerWaalsContact OE1-N 3.1Å; L151-Y319 HydrophobicContact CB-CD2 3.45Å; L151-Y319 VanDerWaalsContact CB-CD2 3.45Å; L151-Y319 HydrophobicContact CB-CE2 3.31Å; L151-Y319 HydrophobicContact CB-CG 4.21Å; L151-Y319 HydrophobicContact CD1-CD1 4.4Å; L151-Y319 HydrophobicContact CD1-CD2 3.44Å; L151-Y319 VanDerWaalsContact CD1-CD2 3.44Å; L151-Y319 HydrophobicContact CD1-CE2 4.2Å; L151-Y319 HydrophobicContact CD1-CG 3.56Å; L151-Y319 HydrophobicContact CG-CD2 4.1Å; L151-Y319 HydrophobicContact CG-CE2 4.41Å; D152-Y319 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y319 WeakPolarHBondContact OD1-CE2 3.35Å; D152-Y319 PolarHBondContact OD1-OH 3.11Å; Y155-Y319 AromaticContact CD2-CE1 3.92Å; Y155-Y319 HydrophobicContact CD2-CE1 3.92Å; Y155-Y319 AromaticContact CD2-CZ 3.77Å; Y155-Y319 HydrophobicContact CE2-CD1 4.39Å; Y155-Y319 AromaticContact CE2-CE1 3.89Å; Y155-Y319 HydrophobicContact CE2-CE1 3.89Å; Y319-Y342 AromaticContact CD1-CD1 3.45Å; Y319-Y342 HydrophobicContact CD1-CD1 3.45Å; Y319-Y342 VanDerWaalsContact CD1-CD1 3.45Å; Y319-Y342 HydrophobicContact CD1-CD2 4.1Å; Y319-Y342 AromaticContact CD1-CE1 3.36Å; Y319-Y342 HydrophobicContact CD1-CE1 3.36Å; Y319-Y342 HydrophobicContact CD1-CE2 4.05Å; Y319-Y342 AromaticContact CD1-CG 3.81Å; Y319-Y342 HydrophobicContact CD1-CG 3.81Å; Y319-Y342 AromaticContact CD1-CZ 3.68Å; Y319-Y342 AromaticContact CE1-CD1 3.72Å; Y319-Y342 HydrophobicContact CE1-CD1 3.72Å; Y319-Y342 AromaticContact CE1-CE1 3.89Å; Y319-Y342 HydrophobicContact CE1-CE1 3.89Å; Y319-Y342 HydrophobicContact CE1-CG 4.32Å; Y319-Y342 HydrophobicContact CG-CE1 4.16Å; Y319-Y342 WeakPolarHBondContact O-CE2 3.42Å; Y319-P345 HydrophobicContact CD1-CB 4.1Å; Y319-P345 HydrophobicContact CD1-CG 3.65Å; Y319-P345 HydrophobicContact CE1-CB 3.6Å; Y319-P345 HydrophobicContact CE1-CG 3.54Å; Y319-P345 HydrophobicContact CE2-CB 4.2Å; Y319-P345 HydrophobicContact CG-CG 4.34Å; Y319-I346 HydrophobicContact CE1-CD1 3.85Å; Y319-I346 HydrophobicContact CE1-CG1 4.12Å; Y319-L349 WeakPolarHBondContact OH-CD1 3.29Å
320M78.3Confident78.2Confident23 Ų2377.6 Ų77.611%0.11339%0.39CS..THydrogen-bonded Turntrans-96.84179.8-62.2174.272.300113.2V130 K134 F139 I147 N318V130-M320 HydrophobicContact CG1-CG 3.75Å; V130-M320 HydrophobicContact CG1-SD 4.06Å; K134-M320 HydrophobicContact CB-CE 3.73Å; K134-M320 HydrophobicContact CD-CE 3.71Å; K134-M320 HydrophobicContact CG-CE 3.59Å; K134-M320 PolarHBondContact NZ-O 3.44Å; F139-M320 HydrophobicContact CD2-CE 3.86Å; F139-M320 HydrophobicContact CD2-SD 4.44Å; F139-M320 HydrophobicContact CE2-CE 4.4Å; F139-M320 HydrophobicContact CE2-SD 4.41Å; I147-M320 HydrophobicContact CD1-SD 4.43Å; N318-M320 PolarHBondContact O-N 3.27Å
321Y81.4Confident75.7Confident62 Ų6276.7 Ų76.724%0.24339%0.394CS..  trans-110.5125.5-178.4-173.3-100000110.8R315 L316 N318 T323R315-Y321 HydrophobicContact CB-CD1 4.12Å; R315-Y321 HydrophobicContact CB-CD2 4.25Å; R315-Y321 HydrophobicContact CB-CE1 4.24Å; R315-Y321 HydrophobicContact CB-CE2 4.4Å; R315-Y321 HydrophobicContact CB-CG 4.12Å; R315-Y321 VanDerWaalsContact O-CB 3.27Å; R315-Y321 WeakPolarHBondContact O-CB 3.16Å; R315-Y321 WeakPolarHBondContact O-CD1 3.28Å; L316-Y321 HydrophobicContact CD2-CD1 4.47Å; L316-Y321 HydrophobicContact CD2-CE1 3.99Å; N318-Y321 WeakPolarHBondContact O-CB 3.36Å; N318-Y321 PolarHBondContact O-N 2.76Å; Y321-T323 HydrophobicContact CE1-CG2 4.26Å
322S75.8Confident73.3Confident52 Ų5273.3 Ų73.336%0.36439%0.391SS..  trans-152144174.2179.70000108.7A324 G339S322-A324 PolarHBondContact OG-N 3.09Å; S322-G339 PolarHBondContact OG-O 3.04Å
323T64Low70.7Confident95 Ų9582.3 Ų82.358%0.58342%0.423SS*.SBendtrans-100-11176.655.60000112.9Y321Y321-T323 HydrophobicContact CE1-CG2 4.26Å
324A67.1Low68.6Low16 Ų1683.9 Ų83.913%0.13244%0.439CS..SBendtrans-86.2151.8177.700000111.6S322 A338S322-A324 PolarHBondContact OG-N 3.09Å; A324-A338 HydrophobicContact CB-CB 3.65Å
325P62.8Low66.7Low111 Ų11180.8 Ų80.872%0.72143%0.431SS*.PPolyproline II helixtrans-51.3144.3164.8-2131.6000110.4P327P325-P327 WeakPolarHBondContact O-CD 3.44Å
326R63.7Low65.1Low151 Ų15177.7 Ų77.757%0.5743%0.426SS*.PPolyproline II helixtrans-70.8123.2179.9-64.9-175.7-169.8176.35109E135E135-R326 IonicContact OE1-CZ 2.75Å; E135-R326 IonicContact OE1-NH1 3.84Å; E135-R326 PolarHBondContact OE1-NH1 3.04Å
327P60.5Low63.5Low31 Ų3176.9 Ų76.920%0.20142%0.422CS..PPolyproline II helixtrans-68.4149.2177.427.9-31.9000109.3P325 P336 F340P325-P327 WeakPolarHBondContact O-CD 3.44Å; P327-P336 HydrophobicContact CB-CB 3.73Å; P327-P336 HydrophobicContact CB-CG 3.68Å; P327-P336 HydrophobicContact CG-CB 4.16Å; P327-P336 HydrophobicContact CG-CG 3.73Å; P327-F340 HydrophobicContact CB-CE2 4.44Å; P327-F340 HydrophobicContact CB-CZ 4.49Å; P327-F340 HydrophobicContact CG-CD1 4.32Å; P327-F340 HydrophobicContact CG-CD2 3.85Å; P327-F340 HydrophobicContact CG-CE1 4.01Å; P327-F340 HydrophobicContact CG-CE2 3.53Å; P327-F340 HydrophobicContact CG-CG 4.24Å; P327-F340 HydrophobicContact CG-CZ 3.61Å
328S54.6Low61.9Low77 Ų7777.4 Ų77.454%0.53843%0.429SS..PPolyproline II helixtrans-61.5138172-1780000109.6E330S328-E330 PolarHBondContact O-N 3.13Å; S328-E330 PolarHBondContact OG-N 3.17Å
329L53.7Low60.4Low108 Ų10875.4 Ų75.457%0.56542%0.42SS*.  trans-81.31.2174.2-70.5160.2000112.4F340L329-F340 HydrophobicContact CD2-CE1 3.67Å; L329-F340 HydrophobicContact CD2-CZ 3.98Å
330E49.1Very low59.4Low143 Ų14379 Ų7967%0.66844%0.436SS*.SBendtrans-59.2143.1171.6-72.9-166.3179.400110.1S328 T332S328-E330 PolarHBondContact O-N 3.13Å; S328-E330 PolarHBondContact OG-N 3.17Å; E330-T332 PolarHBondContact O-N 3.38Å; E330-T332 PolarHBondContact O-OG1 3.35Å
331P43.8Very low59.5Low131 Ų13178.8 Ų78.885%0.85144%0.44SS*.  trans-7167.6-178.631.2-35.6000110.6
332T44.4Very low59.9Low97 Ų9776.8 Ų76.860%0.59543%0.432SS*.  trans-75.4132.4162.241.80000107.1E330 A334E330-T332 PolarHBondContact O-N 3.38Å; E330-T332 PolarHBondContact O-OG1 3.35Å; T332-A334 PolarHBondContact O-N 3.31Å
333R41.1Very low60.6Low264 Ų26475 Ų75100%0.99642%0.422SS*.SBendtrans-67-3.3-177.3-71.9-177.7176.7179.6-1.2113.8
334A48.4Very low62.1Low48 Ų4871.6 Ų71.640%0.39740%0.4SS..SBendtrans-104.8124.1-176.700000110.6T332T332-A334 PolarHBondContact O-N 3.31Å
335A53.3Low63.5Low64 Ų6470.9 Ų70.953%0.52940%0.395SS..  trans-65.9126.2171.100000109.1
336P58.3Low65Low50 Ų5066.4 Ų66.433%0.32536%0.364SS..  trans-66.4142.517928.2-34.1000109.9P327 A338 F340P327-P336 HydrophobicContact CB-CB 3.73Å; P327-P336 HydrophobicContact CB-CG 3.68Å; P327-P336 HydrophobicContact CG-CB 4.16Å; P327-P336 HydrophobicContact CG-CG 3.73Å; P336-A338 PolarHBondContact O-N 3.01Å; P336-F340 HydrophobicContact CG-CD2 4.06Å; P336-F340 HydrophobicContact CG-CE2 3.68Å
337L58.7Low66.7Low19 Ų1959.2 Ų59.210%0.09934%0.337CS..SBendtrans-57.4-37.5-179.1-16777.4000111.6L223 Y228 K266 R270L223-L337 HydrophobicContact CB-CD1 3.95Å; Y228-L337 HydrophobicContact CD2-CD2 4.14Å; Y228-L337 HydrophobicContact CE2-CD2 3.39Å; K266-L337 HydrophobicContact CB-CD1 4.22Å; K266-L337 HydrophobicContact CD-CD1 3.97Å; K266-L337 HydrophobicContact CG-CD1 3.86Å; R270-L337 HydrophobicContact CB-CD2 4.08Å
338A61Low68.5Low27 Ų2760.2 Ų60.222%0.22334%0.337CS..SBendtrans-146.7175.7176.400000111.7A324 P336A324-A338 HydrophobicContact CB-CB 3.65Å; P336-A338 PolarHBondContact O-N 3.01Å
339G61Low70.6Confident9 Ų956.9 Ų56.99%0.09331%0.313CS..  trans125.2-23.8159.500000116.8S322S322-G339 PolarHBondContact OG-O 3.04Å
340F67.6Low72.7Confident80 Ų8053.2 Ų53.235%0.35129%0.292SS..SBendtrans-76.7-27.6172.3-71.6-68.2000113.5P327 L329 P336 Y342P327-F340 HydrophobicContact CB-CE2 4.44Å; P327-F340 HydrophobicContact CB-CZ 4.49Å; P327-F340 HydrophobicContact CG-CD1 4.32Å; P327-F340 HydrophobicContact CG-CD2 3.85Å; P327-F340 HydrophobicContact CG-CE1 4.01Å; P327-F340 HydrophobicContact CG-CE2 3.53Å; P327-F340 HydrophobicContact CG-CG 4.24Å; P327-F340 HydrophobicContact CG-CZ 3.61Å; L329-F340 HydrophobicContact CD2-CE1 3.67Å; L329-F340 HydrophobicContact CD2-CZ 3.98Å; P336-F340 HydrophobicContact CG-CD2 4.06Å; P336-F340 HydrophobicContact CG-CE2 3.68Å; F340-Y342 HydrophobicContact CB-CD2 4.46Å; F340-Y342 VanDerWaalsContact O-CD2 3.27Å; F340-Y342 WeakPolarHBondContact O-CD2 3.38Å
341G80.1Confident75.1Confident19 Ų1946.4 Ų46.420%0.19626%0.26CS..SBendtrans79.415.8-178.700000114.8
342Y88.5Confident77.7Confident20 Ų2042.7 Ų42.78%0.07823%0.229CC..  trans-102.8-18.5-175.8-82.6-118.2000113.8A127 Y155 Y319 F340 P345 I346A127-Y342 WeakPolarHBondContact CA-OH 3.44Å; A127-Y342 HydrophobicContact CB-CD1 4.4Å; A127-Y342 HydrophobicContact CB-CD2 4.43Å; A127-Y342 HydrophobicContact CB-CE1 3.75Å; A127-Y342 HydrophobicContact CB-CE2 3.81Å; A127-Y342 VanDerWaalsContact CB-CZ 3.43Å; Y155-Y342 HydrophobicContact CE2-CD1 4.1Å; Y155-Y342 AromaticContact CE2-CE1 3.59Å; Y155-Y342 HydrophobicContact CE2-CE1 3.59Å; Y155-Y342 AromaticContact CZ-CE1 3.74Å; Y155-Y342 VanDerWaalsContact OH-CE1 3.3Å; Y155-Y342 WeakPolarHBondContact OH-CE1 3.34Å; Y319-Y342 AromaticContact CD1-CD1 3.45Å; Y319-Y342 HydrophobicContact CD1-CD1 3.45Å; Y319-Y342 VanDerWaalsContact CD1-CD1 3.45Å; Y319-Y342 HydrophobicContact CD1-CD2 4.1Å; Y319-Y342 AromaticContact CD1-CE1 3.36Å; Y319-Y342 HydrophobicContact CD1-CE1 3.36Å; Y319-Y342 HydrophobicContact CD1-CE2 4.05Å; Y319-Y342 AromaticContact CD1-CG 3.81Å; Y319-Y342 HydrophobicContact CD1-CG 3.81Å; Y319-Y342 AromaticContact CD1-CZ 3.68Å; Y319-Y342 AromaticContact CE1-CD1 3.72Å; Y319-Y342 HydrophobicContact CE1-CD1 3.72Å; Y319-Y342 AromaticContact CE1-CE1 3.89Å; Y319-Y342 HydrophobicContact CE1-CE1 3.89Å; Y319-Y342 HydrophobicContact CE1-CG 4.32Å; Y319-Y342 HydrophobicContact CG-CE1 4.16Å; Y319-Y342 WeakPolarHBondContact O-CE2 3.42Å; F340-Y342 HydrophobicContact CB-CD2 4.46Å; F340-Y342 VanDerWaalsContact O-CD2 3.27Å; F340-Y342 WeakPolarHBondContact O-CD2 3.38Å; Y342-P345 WeakPolarHBondContact O-CD 3.38Å; Y342-P345 WeakPolarHBondContact O-CG 3.4Å; Y342-I346 HydrophobicContact CD1-CG1 4.35Å; Y342-I346 VanDerWaalsContact O-CB 3.26Å; Y342-I346 WeakPolarHBondContact O-CB 3.37Å; Y342-I346 WeakPolarHBondContact O-CG1 3.37Å; Y342-I346 PolarHBondContact O-N 2.79Å
343G90.9Very high80.3Confident15 Ų1538 Ų3816%0.15520%0.201CC..Hα-helixtrans-55.9-57.4-173.800000113.7E263 S347E263-G343 VanDerWaalsContact OE2-CA 3.25Å; E263-G343 WeakPolarHBondContact OE2-CA 3.47Å; G343-S347 VanDerWaalsContact O-CB 3.28Å; G343-S347 WeakPolarHBondContact O-CB 3.48Å; G343-S347 PolarHBondContact O-N 3.46Å; G343-S347 PolarHBondContact O-OG 3.46Å
344L94.6Very high83Confident23 Ų2325.5 Ų25.512%0.1215%0.153CC..Hα-helixtrans-60.7-52.7179.5-78.5174.6000114.3L264 L316 F317 I346 S347 R348 L360L264-L344 HydrophobicContact CD2-CD2 3.64Å; L316-L344 HydrophobicContact CB-CD1 3.88Å; F317-L344 HydrophobicContact CD1-CB 4.37Å; F317-L344 HydrophobicContact CE1-CB 4.37Å; L344-I346 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-N 2.93Å; L344-R348 PolarHBondContact O-N 2.84Å; L344-L360 HydrophobicContact CD1-CD1 3.98Å; L344-L360 HydrophobicContact CD2-CD1 4.1Å
345P96.6Very high85.4Confident2 Ų227 Ų271%0.01315%0.152CC..Hα-helixtrans-63.2-41.4-179.920.6-30.5000112.6F317 Y319 Y342 R348 L349F317-P345 WeakPolarHBondContact O-CB 3.38Å; Y319-P345 HydrophobicContact CD1-CB 4.1Å; Y319-P345 HydrophobicContact CD1-CG 3.65Å; Y319-P345 HydrophobicContact CE1-CB 3.6Å; Y319-P345 HydrophobicContact CE1-CG 3.54Å; Y319-P345 HydrophobicContact CE2-CB 4.2Å; Y319-P345 HydrophobicContact CG-CG 4.34Å; Y342-P345 WeakPolarHBondContact O-CD 3.38Å; Y342-P345 WeakPolarHBondContact O-CG 3.4Å; P345-R348 WeakPolarHBondContact O-CB 3.1Å; P345-R348 PolarHBondContact O-N 3.28Å; P345-L349 WeakPolarHBondContact O-CG 3.27Å; P345-L349 PolarHBondContact O-N 2.82Å
346I96.3Very high87.6Confident17 Ų1724.6 Ų24.69%0.08713%0.134CC..Hα-helixtrans-65.5-41.4177.6-62.8-64000111.5Y155 Y319 Y342 L344 R348 L349 Y350Y155-I346 HydrophobicContact CD1-CD1 4.35Å; Y155-I346 HydrophobicContact CD2-CD1 3.5Å; Y155-I346 VanDerWaalsContact CD2-CD1 3.5Å; Y155-I346 HydrophobicContact CE2-CD1 4.16Å; Y155-I346 HydrophobicContact CG-CD1 3.61Å; Y319-I346 HydrophobicContact CE1-CD1 3.85Å; Y319-I346 HydrophobicContact CE1-CG1 4.12Å; Y342-I346 HydrophobicContact CD1-CG1 4.35Å; Y342-I346 VanDerWaalsContact O-CB 3.26Å; Y342-I346 WeakPolarHBondContact O-CB 3.37Å; Y342-I346 WeakPolarHBondContact O-CG1 3.37Å; Y342-I346 PolarHBondContact O-N 2.79Å; L344-I346 PolarHBondContact O-N 3.41Å; I346-R348 VanDerWaalsContact C-N 3.27Å; I346-R348 PolarHBondContact O-N 3.05Å; I346-L349 HydrophobicContact CD1-CD1 4.19Å; I346-L349 WeakPolarHBondContact O-CB 3.17Å; I346-L349 PolarHBondContact O-N 3.11Å; I346-Y350 HydrophobicContact CG2-CD2 3.9Å; I346-Y350 HydrophobicContact CG2-CE2 3.64Å; I346-Y350 WeakPolarHBondContact O-CD2 3.22Å; I346-Y350 PolarHBondContact O-N 3.11Å
347S97.9Very high89.5Confident0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-58.4-41.4174.5-630000111.5M260 E263 G343 L344 L349 Y350 A351M260-S347 WeakPolarHBondContact CG-O 3.44Å; M260-S347 VanDerWaalsContact SD-O 3.4Å; E263-S347 WeakPolarHBondContact CB-OG 3.25Å; G343-S347 VanDerWaalsContact O-CB 3.28Å; G343-S347 WeakPolarHBondContact O-CB 3.48Å; G343-S347 PolarHBondContact O-N 3.46Å; G343-S347 PolarHBondContact O-OG 3.46Å; L344-S347 PolarHBondContact O-N 2.93Å; S347-L349 VanDerWaalsContact C-N 3.32Å; S347-L349 PolarHBondContact O-N 3.05Å; S347-Y350 PolarHBondContact O-N 3.31Å; S347-A351 PolarHBondContact O-N 2.92Å; S347-A351 VanDerWaalsContact O-N 3.09Å
348R98.6Very high91.4Very high52 Ų5222.7 Ų22.720%0.19612%0.121CC..Hα-helixtrans-63.8-36174.5-167.9179.3-159-179.68112.7F317 L344 P345 I346 A351 R352 D357 L358F317-R348 HydrophobicContact CD1-CB 4.28Å; F317-R348 HydrophobicContact CE1-CB 4.06Å; F317-R348 HydrophobicContact CE1-CG 4.34Å; L344-R348 PolarHBondContact O-N 2.84Å; P345-R348 WeakPolarHBondContact O-CB 3.1Å; P345-R348 PolarHBondContact O-N 3.28Å; I346-R348 VanDerWaalsContact C-N 3.27Å; I346-R348 PolarHBondContact O-N 3.05Å; R348-A351 PolarHBondContact O-N 2.95Å; R348-R352 HydrophobicContact CG-CG 4.47Å; R348-R352 VanDerWaalsContact NE-CZ 3.3Å; R348-R352 VanDerWaalsContact NE-NH2 3.11Å; R348-R352 WeakPolarHBondContact O-CB 3.47Å; R348-R352 VanDerWaalsContact O-CG 3.26Å; R348-R352 WeakPolarHBondContact O-CG 3.44Å; R348-R352 PolarHBondContact O-N 2.76Å; R348-D357 IonicContact CZ-OD1 3.19Å; R348-D357 IonicContact NE-OD1 3.72Å; R348-D357 PolarHBondContact NE-OD1 3.1Å; R348-D357 VanDerWaalsContact NE-OD1 3.17Å; R348-D357 IonicContact NH2-OD1 2.71Å; R348-D357 IonicContact NH2-OD2 3.93Å; R348-L358 HydrophobicContact CB-CB 4.08Å; R348-L358 HydrophobicContact CG-CB 4.01Å; R348-L358 PolarHBondContact NE-O 2.98Å; R348-L358 VanDerWaalsContact NE-O 3.09Å
349L98.7Very high93.2Very high7 Ų725.1 Ų25.14%0.03713%0.126CC..Hα-helixtrans-64.9-41.6174-61-173.1000111.8D152 Y155 I159 Y319 P345 I346 S347 A351 R352 Y353D152-L349 HydrophobicContact CB-CD2 4.06Å; D152-L349 WeakPolarHBondContact O-CD1 3.38Å; Y155-L349 VanDerWaalsContact CB-CD1 3.48Å; I159-L349 HydrophobicContact CD1-CB 3.97Å; Y319-L349 WeakPolarHBondContact OH-CD1 3.29Å; P345-L349 WeakPolarHBondContact O-CG 3.27Å; P345-L349 PolarHBondContact O-N 2.82Å; I346-L349 HydrophobicContact CD1-CD1 4.19Å; I346-L349 WeakPolarHBondContact O-CB 3.17Å; I346-L349 PolarHBondContact O-N 3.11Å; S347-L349 VanDerWaalsContact C-N 3.32Å; S347-L349 PolarHBondContact O-N 3.05Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.86Å; L349-R352 PolarHBondContact O-N 3.23Å; L349-Y353 VanDerWaalsContact O-CB 3.25Å; L349-Y353 WeakPolarHBondContact O-CB 3.24Å; L349-Y353 PolarHBondContact O-N 3.06Å
350Y98.6Very high95Very high31 Ų3125.6 Ų25.612%0.12213%0.127CC..Hα-helixtrans-60.1-42.2174.6-81.7-71000112.4I159 H256 H259 I346 S347 Y353I159-Y350 HydrophobicContact CB-CE1 4.43Å; I159-Y350 HydrophobicContact CD1-CD1 3.93Å; I159-Y350 HydrophobicContact CD1-CD2 4.17Å; I159-Y350 HydrophobicContact CD1-CE1 3.94Å; I159-Y350 HydrophobicContact CD1-CE2 4.2Å; I159-Y350 HydrophobicContact CD1-CG 4.05Å; I159-Y350 HydrophobicContact CG1-CD1 4.26Å; I159-Y350 HydrophobicContact CG1-CE1 3.8Å; I159-Y350 HydrophobicContact CG1-CE2 4.49Å; I159-Y350 HydrophobicContact CG2-CD1 3.99Å; I159-Y350 HydrophobicContact CG2-CE1 3.8Å; H256-Y350 HydrophobicContact CB-CD1 3.89Å; H256-Y350 HydrophobicContact CB-CE1 4.42Å; H256-Y350 AromaticContact CD2-CD1 3.82Å; H256-Y350 AromaticContact CD2-CE1 3.54Å; H256-Y350 AromaticContact CG-CD1 3.6Å; H256-Y350 AromaticContact CG-CE1 3.84Å; H256-Y350 AromaticContact ND1-CD1 3.88Å; H256-Y350 AromaticContact NE2-CE1 3.8Å; H259-Y350 HydrophobicContact CB-CE2 4.42Å; H259-Y350 AromaticContact CD2-CD2 3.37Å; H259-Y350 WeakPolarHBondContact CD2-CD2 3.5Å; H259-Y350 AromaticContact CD2-CE2 3.26Å; H259-Y350 WeakPolarHBondContact CD2-CE2 3.43Å; H259-Y350 AromaticContact CG-CE2 3.84Å; H259-Y350 AromaticContact NE2-CE2 3.68Å; I346-Y350 HydrophobicContact CG2-CD2 3.9Å; I346-Y350 HydrophobicContact CG2-CE2 3.64Å; I346-Y350 WeakPolarHBondContact O-CD2 3.22Å; I346-Y350 PolarHBondContact O-N 3.11Å; S347-Y350 PolarHBondContact O-N 3.31Å; Y350-Y353 PolarHBondContact O-N 3.28Å
351A98.6Very high96.4Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-62.6-48.8175.400000111.2M260 S347 R348 L349 Y353 G356 L358M260-A351 HydrophobicContact SD-CB 3.62Å; M260-A351 PolarHBondContact SD-N 2.7Å; S347-A351 PolarHBondContact O-N 2.92Å; S347-A351 VanDerWaalsContact O-N 3.09Å; R348-A351 PolarHBondContact O-N 2.95Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.86Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.28Å; A351-G356 CarbonylContact O-C 3.58Å; A351-G356 WeakPolarHBondContact O-CA 3.42Å; A351-G356 PolarHBondContact O-N 3.04Å; A351-L358 HydrophobicContact CB-CB 4.19Å
352R98.8Very high97.3Very high52 Ų5228.1 Ų28.120%0.19613%0.133CC..Hα-helixtrans-68.5-23.3-178.2-73.3171.7169.6-158.7-9.6114.3R348 L349 F354 Q355 G356 D357 R384R348-R352 HydrophobicContact CG-CG 4.47Å; R348-R352 VanDerWaalsContact NE-CZ 3.3Å; R348-R352 VanDerWaalsContact NE-NH2 3.11Å; R348-R352 WeakPolarHBondContact O-CB 3.47Å; R348-R352 VanDerWaalsContact O-CG 3.26Å; R348-R352 WeakPolarHBondContact O-CG 3.44Å; R348-R352 PolarHBondContact O-N 2.76Å; L349-R352 PolarHBondContact O-N 3.23Å; R352-F354 PolarHBondContact O-N 2.97Å; R352-Q355 PolarHBondContact O-N 3.1Å; R352-G356 WeakPolarHBondContact CA-O 3.38Å; R352-D357 IonicContact CZ-OD1 3.76Å; R352-D357 IonicContact NE-OD1 3.8Å; R352-D357 PolarHBondContact NE-OD1 3.02Å; R352-D357 IonicContact NH2-OD1 2.83Å; R352-D357 PolarHBondContact NH2-OD1 3.28Å; R352-D357 IonicContact NH2-OD2 3.24Å; R352-R384 WeakPolarHBondContact O-CB 3.27Å
353Y98.8Very high97.7Very high0 Ų033.8 Ų33.80%016%0.162CC..Hα-helixtrans-60.1-36.2-176174.7-116.7000112.1T156 I159 S160 M163 L349 Y350 A351 E383 R384 L385T156-Y353 HydrophobicContact CG2-CD2 4.31Å; I159-Y353 HydrophobicContact CG2-CD1 3.81Å; I159-Y353 HydrophobicContact CG2-CD2 4.23Å; I159-Y353 HydrophobicContact CG2-CE1 3.99Å; I159-Y353 HydrophobicContact CG2-CE2 4.4Å; I159-Y353 HydrophobicContact CG2-CG 3.92Å; S160-Y353 VanDerWaalsContact CA-OH 3.28Å; S160-Y353 WeakPolarHBondContact CA-OH 3.31Å; S160-Y353 VanDerWaalsContact CB-CE2 3.47Å; M163-Y353 HydrophobicContact CB-CE1 4.43Å; M163-Y353 WeakPolarHBondContact CB-OH 3.47Å; M163-Y353 HydrophobicContact CG-CE1 4.38Å; L349-Y353 VanDerWaalsContact O-CB 3.25Å; L349-Y353 WeakPolarHBondContact O-CB 3.24Å; L349-Y353 PolarHBondContact O-N 3.06Å; Y350-Y353 PolarHBondContact O-N 3.28Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.28Å; Y353-E383 HydrophobicContact CE2-CB 4.15Å; Y353-E383 HydrophobicContact CE2-CG 3.87Å; Y353-E383 CarbonylContact O-C 3.57Å; Y353-E383 VanDerWaalsContact O-CA 3.28Å; Y353-E383 WeakPolarHBondContact O-CA 3.49Å; Y353-E383 WeakPolarHBondContact OH-CG 3.35Å; Y353-E383 PolarHBondContact OH-OE1 3.04Å; Y353-R384 PolarHBondContact O-N 3.38Å; Y353-L385 HydrophobicContact CE2-CD2 4.19Å
354F98.8Very high98.1Very high1 Ų139.7 Ų39.70%0.00419%0.186CC..THydrogen-bonded Turntrans-111.245.1173.4-72.4-55000112.6I29 M163 Y252 V253 R352 G356 S381 F382 E383I29-F354 HydrophobicContact CD1-CB 4.32Å; I29-F354 HydrophobicContact CD1-CD1 4.19Å; I29-F354 HydrophobicContact CD1-CD2 3.8Å; I29-F354 HydrophobicContact CD1-CE1 4.43Å; I29-F354 HydrophobicContact CD1-CE2 4.04Å; I29-F354 HydrophobicContact CD1-CG 3.87Å; I29-F354 HydrophobicContact CD1-CZ 4.35Å; I29-F354 HydrophobicContact CG1-CD1 3.78Å; I29-F354 HydrophobicContact CG1-CD2 4.11Å; I29-F354 HydrophobicContact CG1-CE1 3.68Å; I29-F354 HydrophobicContact CG1-CE2 4.01Å; I29-F354 HydrophobicContact CG1-CG 4Å; I29-F354 HydrophobicContact CG1-CZ 3.8Å; M163-F354 HydrophobicContact CE-CZ 4.5Å; Y252-F354 HydrophobicContact CE2-CB 4.22Å; Y252-F354 HydrophobicContact CE2-CD2 4.1Å; V253-F354 HydrophobicContact CG2-CE2 4.19Å; R352-F354 PolarHBondContact O-N 2.97Å; F354-G356 PolarHBondContact O-N 2.86Å; F354-S381 WeakPolarHBondContact CD1-O 3.26Å; F354-F382 WeakPolarHBondContact CA-O 3.26Å; F354-E383 HydrophobicContact CE1-CG 3.94Å
355Q98.6Very high98.2Very high79 Ų7941.7 Ų41.737%0.36921%0.212SC..THydrogen-bonded Turntrans63.115.8175.8-47.8-55-43.700116.2R352 K375 F382R352-Q355 PolarHBondContact O-N 3.1Å; Q355-K375 HydrophobicContact CB-CG 4.13Å; Q355-F382 HydrophobicContact CG-CB 4.34Å; Q355-F382 WeakPolarHBondContact CG-O 3.34Å; Q355-F382 PolarHBondContact NE2-O 2.81Å
356G98.6Very high98.2Very high14 Ų1445.5 Ų45.514%0.14424%0.235CC..  trans-83.3-166.5168.700000113.4A351 R352 F354 Y373A351-G356 CarbonylContact O-C 3.58Å; A351-G356 WeakPolarHBondContact O-CA 3.42Å; A351-G356 PolarHBondContact O-N 3.04Å; R352-G356 WeakPolarHBondContact CA-O 3.38Å; F354-G356 PolarHBondContact O-N 2.86Å; G356-Y373 CarbonylContact C-O 3.44Å; G356-Y373 WeakPolarHBondContact CA-O 3.38Å
357D98.7Very high98.3Very high28 Ų2845 Ų4515%0.1523%0.234CC..EExtended strand (participates in β ladder)trans-156.4162.9167.8-160.113.6000110.6R348 R352 K359 Y373R348-D357 IonicContact CZ-OD1 3.19Å; R348-D357 IonicContact NE-OD1 3.72Å; R348-D357 PolarHBondContact NE-OD1 3.1Å; R348-D357 VanDerWaalsContact NE-OD1 3.17Å; R348-D357 IonicContact NH2-OD1 2.71Å; R348-D357 IonicContact NH2-OD2 3.93Å; R352-D357 IonicContact CZ-OD1 3.76Å; R352-D357 IonicContact NE-OD1 3.8Å; R352-D357 PolarHBondContact NE-OD1 3.02Å; R352-D357 IonicContact NH2-OD1 2.83Å; R352-D357 PolarHBondContact NH2-OD1 3.28Å; R352-D357 IonicContact NH2-OD2 3.24Å; D357-K359 VanDerWaalsContact OD2-CE 3.24Å; D357-K359 WeakPolarHBondContact OD2-CE 3.34Å; D357-Y373 PolarHBondContact N-O 3.23Å; D357-Y373 PolarHBondContact O-N 3.44Å
358L98.8Very high98.4Very high0 Ų045.9 Ų45.90%024%0.239CC..EExtended strand (participates in β ladder)trans-122.2127.6169.3-171165.7000108.2L264 F317 R348 A351 L360 V371 I372L264-L358 HydrophobicContact CD1-CD1 4.14Å; L264-L358 HydrophobicContact CD2-CD1 4.31Å; L264-L358 HydrophobicContact CG-CD1 4.44Å; F317-L358 HydrophobicContact CE1-CD2 4.05Å; F317-L358 HydrophobicContact CZ-CD2 4Å; R348-L358 HydrophobicContact CB-CB 4.08Å; R348-L358 HydrophobicContact CG-CB 4.01Å; R348-L358 PolarHBondContact NE-O 2.98Å; R348-L358 VanDerWaalsContact NE-O 3.09Å; A351-L358 HydrophobicContact CB-CB 4.19Å; L358-L360 HydrophobicContact CD2-CG 4.44Å; L358-V371 WeakPolarHBondContact CA-O 3.29Å; L358-I372 HydrophobicContact CD1-CG1 4.31Å; L358-I372 HydrophobicContact CG-CG1 4.35Å
359K98.4Very high98.4Very high78 Ų7845.9 Ų45.934%0.33924%0.243SC..EExtended strand (participates in β ladder)trans-127.4148.3-179.6-59.2-170.7-177.2-178.90111.2D357 Y361 A370 V371 Y373D357-K359 VanDerWaalsContact OD2-CE 3.24Å; D357-K359 WeakPolarHBondContact OD2-CE 3.34Å; K359-Y361 HydrophobicContact CB-CE2 3.66Å; K359-Y361 HydrophobicContact CD-CE2 4.49Å; K359-Y361 WeakPolarHBondContact CD-OH 3.36Å; K359-A370 WeakPolarHBondContact O-CA 3.27Å; K359-V371 PolarHBondContact N-O 3.27Å; K359-V371 PolarHBondContact O-N 2.84Å; K359-Y373 HydrophobicContact CD-CE2 4.26Å; K359-Y373 HydrophobicContact CG-CE2 4.43Å
360L98.3Very high98.4Very high20 Ų2045.7 Ų45.711%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-119.4135175.9-71.4172.9000109.4I313 L316 F317 L344 L358 T368 D369 A370I313-L360 HydrophobicContact CG2-CB 4.49Å; L316-L360 HydrophobicContact CD1-CD1 3.88Å; F317-L360 HydrophobicContact CE2-CD1 4.13Å; F317-L360 HydrophobicContact CE2-CG 4.47Å; F317-L360 HydrophobicContact CZ-CD1 3.89Å; F317-L360 HydrophobicContact CZ-CG 4.06Å; L344-L360 HydrophobicContact CD1-CD1 3.98Å; L344-L360 HydrophobicContact CD2-CD1 4.1Å; L358-L360 HydrophobicContact CD2-CG 4.44Å; L360-T368 HydrophobicContact CD2-CG2 4.07Å; L360-D369 WeakPolarHBondContact CA-O 3.44Å; L360-A370 HydrophobicContact CD2-CB 3.43Å; L360-A370 VanDerWaalsContact CD2-CB 3.43Å
361Y98.1Very high98.4Very high122 Ų12244.7 Ų44.748%0.47824%0.24SC..EExtended strand (participates in β ladder)trans-131.7123.7174.8-56.2-82.5000107.6K359 D369 V371K359-Y361 HydrophobicContact CB-CE2 3.66Å; K359-Y361 HydrophobicContact CD-CE2 4.49Å; K359-Y361 WeakPolarHBondContact CD-OH 3.36Å; Y361-D369 PolarHBondContact N-O 3.43Å; Y361-D369 PolarHBondContact O-N 3.25Å; Y361-V371 HydrophobicContact CD2-CG2 4.29Å; Y361-V371 HydrophobicContact CE2-CG2 4.28Å
362S97.7Very high98.4Very high29 Ų2944.8 Ų44.820%0.20324%0.24CC..EExtended strand (participates in β ladder)trans-128.9142-173.7-160.20000111.1G307 V308 G367 T368G307-S362 WeakPolarHBondContact CA-OG 3.27Å; V308-S362 PolarHBondContact N-OG 2.99Å; S362-G367 PolarHBondContact OG-O 3.2Å; S362-G367 VanDerWaalsContact OG-O 3.05Å; S362-T368 PolarHBondContact OG-OG1 3.18Å
363M98.3Very high98.4Very high140 Ų14045.8 Ų45.869%0.6924%0.244SC*.EExtended strand (participates in β ladder)trans-110.497.6174.9-63.7-73-77.700106.4G365 V366 G367M363-G365 PolarHBondContact O-N 3.15Å; M363-V366 HydrophobicContact CB-CB 4.18Å; M363-V366 PolarHBondContact O-N 3.33Å; M363-G367 PolarHBondContact N-O 3.43Å; M363-G367 PolarHBondContact O-N 3Å; M363-G367 VanDerWaalsContact O-N 3.11Å
364E98.1Very high98.4Very high138 Ų13845.8 Ų45.865%0.64525%0.245SC*.THydrogen-bonded Turntrans-55.6127.9-178.2-176.3178.9-160.200110.8P309P309-E364 VanDerWaalsContact CG-OE1 3.3Å; P309-E364 WeakPolarHBondContact CG-OE1 3.33Å
365G96.6Very high98.4Very high65 Ų6547.9 Ų47.967%0.6725%0.254SS*.THydrogen-bonded Turntrans92.8-8.2-173.700000114.7G306 M363G306-G365 CarbonylContact O-C 3.58Å; G306-G365 WeakPolarHBondContact O-CA 3.4Å; G306-G365 PolarHBondContact O-N 3.02Å; M363-G365 PolarHBondContact O-N 3.15Å
366V97.9Very high98.4Very high83 Ų8344.9 Ų44.950%0.50324%0.242SC..THydrogen-bonded Turntrans-123.3-64.9-178-176.40000111.8L304 G306 M363L304-V366 CarbonylContact C-O 3.59Å; L304-V366 VanDerWaalsContact CA-O 3.31Å; L304-V366 WeakPolarHBondContact CA-O 3.31Å; L304-V366 HydrophobicContact CD2-CG1 3.89Å; G306-V366 WeakPolarHBondContact CA-O 3.19Å; G306-V366 PolarHBondContact N-O 3.43Å; G306-V366 PolarHBondContact O-N 2.85Å; M363-V366 HydrophobicContact CB-CB 4.18Å; M363-V366 PolarHBondContact O-N 3.33Å
367G98.2Very high98.3Very high6 Ų647.1 Ų47.16%0.06225%0.25CS..EExtended strand (participates in β ladder)trans174.2-175.7-167.500000114.5D303 S362 M363D303-G367 VanDerWaalsContact O-CA 3.25Å; D303-G367 WeakPolarHBondContact O-CA 3.33Å; S362-G367 PolarHBondContact OG-O 3.2Å; S362-G367 VanDerWaalsContact OG-O 3.05Å; M363-G367 PolarHBondContact N-O 3.43Å; M363-G367 PolarHBondContact O-N 3Å; M363-G367 VanDerWaalsContact O-N 3.11Å
368T98.8Very high98.3Very high18 Ų1847 Ų4711%0.1125%0.252CS..EExtended strand (participates in β ladder)trans-134.3138-176.7-520000112.2S302 D303 L360 S362S302-T368 WeakPolarHBondContact CA-O 3.49Å; D303-T368 PolarHBondContact N-O 3.4Å; D303-T368 PolarHBondContact O-N 2.75Å; D303-T368 PolarHBondContact OD1-N 2.97Å; D303-T368 VanDerWaalsContact OD1-N 3.15Å; L360-T368 HydrophobicContact CD2-CG2 4.07Å; S362-T368 PolarHBondContact OG-OG1 3.18Å
369D98.8Very high98.2Very high52 Ų5249.7 Ų49.728%0.27827%0.271SS..EExtended strand (participates in β ladder)trans-102.8121.1167.5-777000109.3K300 I301 S302 L360 Y361K300-D369 HydrophobicContact CD-CB 4.33Å; K300-D369 WeakPolarHBondContact CD-OD2 3.39Å; K300-D369 HydrophobicContact CG-CB 4.43Å; K300-D369 IonicContact NZ-OD2 2.75Å; K300-D369 PolarHBondContact NZ-OD2 3.38Å; I301-D369 CarbonylContact O-C 3.51Å; I301-D369 WeakPolarHBondContact O-CA 3.44Å; S302-D369 VanDerWaalsContact CB-OD1 3.23Å; S302-D369 WeakPolarHBondContact CB-OD1 3.41Å; S302-D369 PolarHBondContact OG-OD1 2.98Å; L360-D369 WeakPolarHBondContact CA-O 3.44Å; Y361-D369 PolarHBondContact N-O 3.43Å; Y361-D369 PolarHBondContact O-N 3.25Å
370A98.8Very high98.2Very high3 Ų349.4 Ų49.43%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-107.1123.9169.900000110.2L264 K300 I301 K359 L360L264-A370 HydrophobicContact CD1-CB 3.89Å; L264-A370 HydrophobicContact CD2-CB 3.84Å; L264-A370 HydrophobicContact CG-CB 4.38Å; K300-A370 CarbonylContact C-O 3.49Å; K300-A370 WeakPolarHBondContact CA-O 3.42Å; I301-A370 PolarHBondContact N-O 3.45Å; I301-A370 PolarHBondContact O-N 2.96Å; K359-A370 WeakPolarHBondContact O-CA 3.27Å; L360-A370 HydrophobicContact CD2-CB 3.43Å; L360-A370 VanDerWaalsContact CD2-CB 3.43Å
371V98.9Very high98.2Very high11 Ų1148.5 Ų48.57%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-120119.9-175.7-165.10000110.7I299 K300 L358 K359 Y361 Y373I299-V371 CarbonylContact O-C 3.54Å; I299-V371 WeakPolarHBondContact O-CA 3.4Å; K300-V371 HydrophobicContact CB-CG2 4.29Å; K300-V371 HydrophobicContact CD-CG2 4.34Å; K300-V371 HydrophobicContact CG-CG2 4.01Å; L358-V371 WeakPolarHBondContact CA-O 3.29Å; K359-V371 PolarHBondContact N-O 3.27Å; K359-V371 PolarHBondContact O-N 2.84Å; Y361-V371 HydrophobicContact CD2-CG2 4.29Å; Y361-V371 HydrophobicContact CE2-CG2 4.28Å; V371-Y373 HydrophobicContact CB-CE2 3.81Å; V371-Y373 HydrophobicContact CG1-CD1 4.47Å; V371-Y373 HydrophobicContact CG1-CD2 4.07Å; V371-Y373 HydrophobicContact CG1-CE1 3.95Å; V371-Y373 HydrophobicContact CG1-CE2 3.48Å; V371-Y373 VanDerWaalsContact CG1-CE2 3.48Å; V371-Y373 VanDerWaalsContact CG1-CZ 3.41Å
372I98.9Very high98.2Very high1 Ų147 Ų471%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-93.2127.1167.6-58.4169.3000107.8M260 L261 L264 S298 I299 L358 L374M260-I372 HydrophobicContact CB-CD1 3.65Å; M260-I372 HydrophobicContact CE-CG2 4.02Å; M260-I372 HydrophobicContact SD-CD1 4.47Å; M260-I372 HydrophobicContact SD-CG2 4.15Å; L261-I372 HydrophobicContact CD2-CD1 4Å; L261-I372 HydrophobicContact CG-CD1 4.4Å; L264-I372 HydrophobicContact CD1-CD1 3.86Å; L264-I372 HydrophobicContact CD1-CG1 3.9Å; S298-I372 WeakPolarHBondContact CA-O 3.25Å; I299-I372 HydrophobicContact CB-CB 4.38Å; I299-I372 PolarHBondContact N-O 2.64Å; I299-I372 PolarHBondContact O-N 2.9Å; L358-I372 HydrophobicContact CD1-CG1 4.31Å; L358-I372 HydrophobicContact CG-CG1 4.35Å; I372-L374 HydrophobicContact CG2-CD2 3.97Å; I372-L374 HydrophobicContact CG2-CG 4.02Å
373Y98.9Very high98.3Very high73 Ų7345.8 Ų45.829%0.28625%0.253SS..EExtended strand (participates in β ladder)trans-109.9126.3170.4-64-83.3000109S298 G356 D357 K359 V371S298-Y373 WeakPolarHBondContact OG-CD1 3.22Å; S298-Y373 WeakPolarHBondContact OG-CE1 3.2Å; G356-Y373 CarbonylContact C-O 3.44Å; G356-Y373 WeakPolarHBondContact CA-O 3.38Å; D357-Y373 PolarHBondContact N-O 3.23Å; D357-Y373 PolarHBondContact O-N 3.44Å; K359-Y373 HydrophobicContact CD-CE2 4.26Å; K359-Y373 HydrophobicContact CG-CE2 4.43Å; V371-Y373 HydrophobicContact CB-CE2 3.81Å; V371-Y373 HydrophobicContact CG1-CD1 4.47Å; V371-Y373 HydrophobicContact CG1-CD2 4.07Å; V371-Y373 HydrophobicContact CG1-CE1 3.95Å; V371-Y373 HydrophobicContact CG1-CE2 3.48Å; V371-Y373 VanDerWaalsContact CG1-CE2 3.48Å; V371-Y373 VanDerWaalsContact CG1-CZ 3.41Å
374L98.8Very high98.3Very high1 Ų145.2 Ų45.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-122.3155.1171.6-56.4-176.2000109.8Y252 L257 M260 L297 I372 A376Y252-L374 HydrophobicContact CD1-CD1 4.07Å; Y252-L374 HydrophobicContact CD2-CD1 4.19Å; Y252-L374 HydrophobicContact CE1-CD1 3.8Å; Y252-L374 HydrophobicContact CE1-CD2 4.37Å; Y252-L374 HydrophobicContact CE2-CD1 3.94Å; Y252-L374 HydrophobicContact CE2-CD2 4.08Å; Y252-L374 HydrophobicContact CE2-CG 4.44Å; Y252-L374 HydrophobicContact CG-CD1 4.27Å; Y252-L374 WeakPolarHBondContact OH-CD2 3.45Å; L257-L374 HydrophobicContact CD1-CD1 4.31Å; M260-L374 HydrophobicContact CE-CD2 4.24Å; L297-L374 HydrophobicContact CB-CB 4.27Å; L297-L374 HydrophobicContact CD2-CB 4.05Å; L297-L374 HydrophobicContact CD2-CD1 3.8Å; L297-L374 HydrophobicContact CD2-CG 4.22Å; L297-L374 PolarHBondContact N-O 3.46Å; L297-L374 PolarHBondContact O-N 3.15Å; I372-L374 HydrophobicContact CG2-CD2 3.97Å; I372-L374 HydrophobicContact CG2-CG 4.02Å; L374-A376 PolarHBondContact O-N 2.93Å
375K98.6Very high98.3Very high45 Ų4540 Ų4020%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-71.3128.7171.5-68.2-63.4177.2-172.30110.6Q355 L377 E380 S381Q355-K375 HydrophobicContact CB-CG 4.13Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.77Å; K375-E380 HydrophobicContact CB-CB 4.45Å; K375-E380 HydrophobicContact CD-CB 4.31Å; K375-E380 HydrophobicContact CG-CB 4.33Å; K375-S381 WeakPolarHBondContact CB-OG 3.48Å
376A97.9Very high98.4Very high15 Ų1537.1 Ų37.112%0.12419%0.189CC..SBendtrans-69.9-24.817700000112.5L292 E295 L374L292-A376 HydrophobicContact CD1-CB 3.81Å; E295-A376 VanDerWaalsContact O-CB 3.32Å; E295-A376 WeakPolarHBondContact O-CB 3.29Å; E295-A376 PolarHBondContact O-N 3.3Å; L374-A376 PolarHBondContact O-N 2.93Å
377L97.9Very high98.4Very high61 Ų6135.3 Ų35.332%0.31918%0.178SC..SBendtrans-110.1122.2-177.3-58.6179000111K375 S379 E380 S381K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.77Å; L377-S379 PolarHBondContact O-N 3.05Å; L377-S379 VanDerWaalsContact O-N 3.11Å; L377-E380 HydrophobicContact CB-CG 4.28Å; L377-E380 PolarHBondContact O-N 3.05Å; L377-S381 PolarHBondContact O-N 2.76Å; L377-S381 PolarHBondContact O-OG 3.33Å
378S97.5Very high98.4Very high27 Ų2736.2 Ų36.219%0.18918%0.181CC..THydrogen-bonded Turntrans-61.8-21.7179.461.10000114.1K30 E380K30-S378 WeakPolarHBondContact CB-O 3.46Å; K30-S378 PolarHBondContact N-O 3.3Å; S378-E380 VanDerWaalsContact C-N 3.26Å; S378-E380 PolarHBondContact O-N 2.87Å
379S97.8Very high98.2Very high55 Ų5538.8 Ų38.839%0.38519%0.194SC..THydrogen-bonded Turntrans-71-18.5173.952.10000113.7L377 F382L377-S379 PolarHBondContact O-N 3.05Å; L377-S379 VanDerWaalsContact O-N 3.11Å; S379-F382 WeakPolarHBondContact O-CE2 3.3Å
380E97.8Very high98.1Very high73 Ų7343.2 Ų43.234%0.34121%0.21SC..THydrogen-bonded Turntrans-103-12.4178.4-62.4-179.7-175.800112.2K375 L377 S378 F382K375-E380 HydrophobicContact CB-CB 4.45Å; K375-E380 HydrophobicContact CD-CB 4.31Å; K375-E380 HydrophobicContact CG-CB 4.33Å; L377-E380 HydrophobicContact CB-CG 4.28Å; L377-E380 PolarHBondContact O-N 3.05Å; S378-E380 VanDerWaalsContact C-N 3.26Å; S378-E380 PolarHBondContact O-N 2.87Å; E380-F382 VanDerWaalsContact C-N 3.29Å; E380-F382 PolarHBondContact O-N 3.44Å
381S98.2Very high97.9Very high0 Ų045.9 Ų45.90%023%0.229CC..  trans-79.466.3179.7-52.30000112.2S28 I29 F354 K375 L377S28-S381 CarbonylContact C-O 3.53Å; S28-S381 VanDerWaalsContact CA-O 3.26Å; S28-S381 WeakPolarHBondContact CA-O 3.22Å; I29-S381 VanDerWaalsContact CD1-CB 3.49Å; I29-S381 PolarHBondContact N-O 3.28Å; F354-S381 WeakPolarHBondContact CD1-O 3.26Å; K375-S381 WeakPolarHBondContact CB-OG 3.48Å; L377-S381 PolarHBondContact O-N 2.76Å; L377-S381 PolarHBondContact O-OG 3.33Å
382F98.6Very high97.8Very high90 Ų9045.5 Ų45.540%0.39523%0.227SC..BIsolated β-bridgetrans-80.8144.8175.8-70.4-85.2000112.9F354 Q355 S379 E380 R384F354-F382 WeakPolarHBondContact CA-O 3.26Å; Q355-F382 HydrophobicContact CG-CB 4.34Å; Q355-F382 WeakPolarHBondContact CG-O 3.34Å; Q355-F382 PolarHBondContact NE2-O 2.81Å; S379-F382 WeakPolarHBondContact O-CE2 3.3Å; E380-F382 VanDerWaalsContact C-N 3.29Å; E380-F382 PolarHBondContact O-N 3.44Å; F382-R384 PolarHBondContact O-N 3.41Å
383E98.8Very high97.6Very high5 Ų550.1 Ų50.12%0.02324%0.244CC..  trans-55.4129.2167.8-72.3179.1114.800111.2P26 L27 F32 R56 Y353 F354 L385P26-E383 HydrophobicContact CB-CB 4Å; P26-E383 VanDerWaalsContact CB-O 3.26Å; P26-E383 WeakPolarHBondContact CB-O 3.45Å; L27-E383 PolarHBondContact N-OE2 3.11Å; L27-E383 WeakPolarHBondContact O-CG 3.38Å; L27-E383 PolarHBondContact O-N 2.95Å; F32-E383 HydrophobicContact CE2-CG 4.38Å; R56-E383 IonicContact CZ-OE1 2.69Å; R56-E383 IonicContact CZ-OE2 3.47Å; R56-E383 IonicContact NH1-OE1 3.37Å; R56-E383 PolarHBondContact NH1-OE1 3.08Å; R56-E383 IonicContact NH1-OE2 3.41Å; R56-E383 IonicContact NH2-OE1 2.71Å; R56-E383 PolarHBondContact NH2-OE1 2.9Å; R56-E383 IonicContact NH2-OE2 3.46Å; R56-E383 PolarHBondContact NH2-OE2 3.28Å; Y353-E383 HydrophobicContact CE2-CB 4.15Å; Y353-E383 HydrophobicContact CE2-CG 3.87Å; Y353-E383 CarbonylContact O-C 3.57Å; Y353-E383 VanDerWaalsContact O-CA 3.28Å; Y353-E383 WeakPolarHBondContact O-CA 3.49Å; Y353-E383 WeakPolarHBondContact OH-CG 3.35Å; Y353-E383 PolarHBondContact OH-OE1 3.04Å; F354-E383 HydrophobicContact CE1-CG 3.94Å; E383-L385 HydrophobicContact CB-CD1 4.31Å; E383-L385 HydrophobicContact CB-CD2 4.05Å; E383-L385 HydrophobicContact CB-CG 3.95Å
384R98.4Very high97.4Very high127 Ų12753.5 Ų53.548%0.47926%0.257SS..  trans-96.299.2169.7-172.4179.5173.8-156.8-3.8109.8T156 R352 Y353 F382T156-R384 WeakPolarHBondContact CG2-O 3.46Å; R352-R384 WeakPolarHBondContact O-CB 3.27Å; Y353-R384 PolarHBondContact O-N 3.38Å; F382-R384 PolarHBondContact O-N 3.41Å
385L98.5Very high97.1Very high28 Ų2857.7 Ų57.715%0.14728%0.276CS..  trans-104.8144.3-172.3-58.2176000113.2P24 P26 S160 Y353 E383P24-L385 HydrophobicContact CB-CB 4.14Å; P24-L385 HydrophobicContact CB-CD1 3.65Å; P26-L385 HydrophobicContact CB-CD1 4.17Å; S160-L385 VanDerWaalsContact CB-CD2 3.4Å; Y353-L385 HydrophobicContact CE2-CD2 4.19Å; E383-L385 HydrophobicContact CB-CD1 4.31Å; E383-L385 HydrophobicContact CB-CD2 4.05Å; E383-L385 HydrophobicContact CB-CG 3.95Å
386P98.1Very high96.8Very high6 Ų656.3 Ų56.34%0.03927%0.27CS..  trans-73.8128.7170.931.3-34.3000111.1R153 N157R153-P386 HydrophobicContact CB-CB 3.77Å; R153-P386 HydrophobicContact CB-CG 4.41Å; R153-P386 HydrophobicContact CG-CB 4.04Å; R153-P386 WeakPolarHBondContact O-CG 3.32Å; N157-P386 HydrophobicContact CB-CG 3.77Å
387V97.9Very high96.5Very high44 Ų4461 Ų6127%0.26729%0.287SS..  trans-109.8123.7176.4-172.60000110R153 N389R153-V387 VanDerWaalsContact NH2-C 3.26Å; R153-V387 PolarHBondContact NH2-O 3.24Å; V387-N389 PolarHBondContact O-N 2.68Å
388F97.8Very high95.9Very high26 Ų2660.9 Ų60.911%0.11429%0.289CS..  trans-80.1114.4172179.4-107.7000109.9N59 R62 E63 L66 A392 W393N59-F388 HydrophobicContact CB-CB 4.13Å; N59-F388 VanDerWaalsContact OD1-CB 3.31Å; N59-F388 WeakPolarHBondContact OD1-CB 3.4Å; N59-F388 PolarHBondContact OD1-N 3.13Å; R62-F388 HydrophobicContact CB-CD1 3.72Å; R62-F388 HydrophobicContact CB-CD2 3.98Å; R62-F388 HydrophobicContact CB-CE1 3.73Å; R62-F388 HydrophobicContact CB-CE2 4Å; R62-F388 HydrophobicContact CB-CG 3.84Å; R62-F388 HydrophobicContact CB-CZ 3.87Å; R62-F388 HydrophobicContact CG-CD1 3.96Å; R62-F388 HydrophobicContact CG-CE1 3.91Å; R62-F388 HydrophobicContact CG-CZ 4.44Å; E63-F388 HydrophobicContact CG-CB 4.46Å; E63-F388 HydrophobicContact CG-CD2 3.58Å; E63-F388 HydrophobicContact CG-CE2 4.31Å; E63-F388 HydrophobicContact CG-CG 4.41Å; L66-F388 HydrophobicContact CD1-CE2 3.72Å; L66-F388 HydrophobicContact CD1-CZ 4.34Å; F388-A392 HydrophobicContact CD2-CB 4.49Å; F388-W393 HydrophobicContact CE2-CB 4.44Å
389N96.2Very high95.4Very high72 Ų7264.1 Ų64.139%0.38531%0.308SS..SBendtrans-151.7-171.5178.261.928.8000110V387 S391 A392 W393V387-N389 PolarHBondContact O-N 2.68Å; N389-S391 VanDerWaalsContact C-N 3.28Å; N389-S391 PolarHBondContact O-N 3.31Å; N389-S391 WeakPolarHBondContact OD1-CA 3.32Å; N389-S391 WeakPolarHBondContact OD1-CB 3.3Å; N389-S391 PolarHBondContact OD1-N 3.17Å; N389-A392 PolarHBondContact O-N 3.36Å; N389-A392 PolarHBondContact OD1-N 3.03Å; N389-W393 WeakPolarHBondContact O-CB 3.31Å; N389-W393 PolarHBondContact O-N 2.94Å
390K94.9Very high94.8Very high144 Ų14466.2 Ų66.263%0.62632%0.32SS*.Hα-helixtrans-60.4-35.3178-77.6-67.6-172.41780113.2W393 R394K390-W393 PolarHBondContact O-N 3.42Å; K390-R394 WeakPolarHBondContact O-CG 3.47Å; K390-R394 PolarHBondContact O-N 3.39Å
391S95.8Very high94.2Very high60 Ų6070.5 Ų70.542%0.4234%0.34SS..Hα-helixtrans-66.5-47.2176.6-57.20000111.2N389 W393 R394 H395N389-S391 VanDerWaalsContact C-N 3.28Å; N389-S391 PolarHBondContact O-N 3.31Å; N389-S391 WeakPolarHBondContact OD1-CA 3.32Å; N389-S391 WeakPolarHBondContact OD1-CB 3.3Å; N389-S391 PolarHBondContact OD1-N 3.17Å; S391-W393 VanDerWaalsContact C-N 3.32Å; S391-W393 PolarHBondContact O-N 2.92Å; S391-R394 WeakPolarHBondContact O-CB 3.34Å; S391-R394 PolarHBondContact O-N 3.09Å; S391-R394 VanDerWaalsContact O-N 3.16Å; S391-R394 PolarHBondContact OG-NH1 3.17Å; S391-H395 PolarHBondContact O-CD2 3.12Å; S391-H395 VanDerWaalsContact O-CD2 3.31Å; S391-H395 PolarHBondContact O-N 3.17Å
392A95.4Very high93.6Very high2 Ų274.9 Ų74.92%0.01738%0.376CS..Hα-helixtrans-59.7-43.4174.500000111.8Y149 F388 N389 R394 H395 Y396Y149-A392 WeakPolarHBondContact OH-CA 3.18Å; F388-A392 HydrophobicContact CD2-CB 4.49Å; N389-A392 PolarHBondContact O-N 3.36Å; N389-A392 PolarHBondContact OD1-N 3.03Å; A392-R394 VanDerWaalsContact C-N 3.3Å; A392-R394 PolarHBondContact O-N 2.76Å; A392-H395 WeakPolarHBondContact O-CB 3.28Å; A392-H395 PolarHBondContact O-N 3.26Å; A392-Y396 WeakPolarHBondContact O-CD2 3.5Å
393W95.3Very high93.2Very high98 Ų9875.4 Ų75.437%0.37138%0.383SS..Hα-helixtrans-59.5-38.2176177.689.3000112.9L66 F388 N389 K390 S391 H395 Y396 K397L66-W393 HydrophobicContact CD1-CG 4.48Å; F388-W393 HydrophobicContact CE2-CB 4.44Å; N389-W393 WeakPolarHBondContact O-CB 3.31Å; N389-W393 PolarHBondContact O-N 2.94Å; K390-W393 PolarHBondContact O-N 3.42Å; S391-W393 VanDerWaalsContact C-N 3.32Å; S391-W393 PolarHBondContact O-N 2.92Å; W393-H395 VanDerWaalsContact C-N 3.33Å; W393-H395 PolarHBondContact O-N 3.12Å; W393-Y396 PolarHBondContact O-N 3.27Å; W393-K397 HydrophobicContact CD2-CG 4Å; W393-K397 HydrophobicContact CE3-CG 4.29Å; W393-K397 HydrophobicContact CH2-CB 4.2Å; W393-K397 HydrophobicContact CH2-CG 3.93Å; W393-K397 HydrophobicContact CZ2-CB 4.4Å; W393-K397 HydrophobicContact CZ2-CD 4.36Å; W393-K397 HydrophobicContact CZ2-CG 3.63Å; W393-K397 HydrophobicContact CZ3-CB 4.27Å; W393-K397 HydrophobicContact CZ3-CG 4.25Å; W393-K397 PolarHBondContact O-N 3.37Å
394R94.2Very high92.9Very high145 Ų14582.3 Ų82.355%0.54742%0.42SS..Hα-helixtrans-61.8-39.3177.9-75.6-178.3-149.6117.7-1.5111.9K390 S391 A392 Y396 K397 T398K390-R394 WeakPolarHBondContact O-CG 3.47Å; K390-R394 PolarHBondContact O-N 3.39Å; S391-R394 WeakPolarHBondContact O-CB 3.34Å; S391-R394 PolarHBondContact O-N 3.09Å; S391-R394 VanDerWaalsContact O-N 3.16Å; S391-R394 PolarHBondContact OG-NH1 3.17Å; A392-R394 VanDerWaalsContact C-N 3.3Å; A392-R394 PolarHBondContact O-N 2.76Å; R394-Y396 PolarHBondContact O-N 3.01Å; R394-K397 CarbonylContact O-C 3.53Å; R394-K397 PolarHBondContact O-N 3.31Å; R394-T398 WeakPolarHBondContact O-CG2 3.33Å; R394-T398 PolarHBondContact O-N 3.46Å
395H93.3Very high92.7Very high89 Ų8986.1 Ų86.141%0.41244%0.435SS..Hα-helixtrans-56-34.9176.5-78.1-81.6000112.8N146 Y149 S391 A392 W393 K397 T398N146-H395 PolarHBondContact ND2-O 2.84Å; N146-H395 PolarHBondContact OD1-O 2.76Å; Y149-H395 HydrophobicContact CD1-CB 3.98Å; Y149-H395 HydrophobicContact CD2-CB 4.44Å; Y149-H395 HydrophobicContact CE1-CB 3.73Å; Y149-H395 HydrophobicContact CE2-CB 4.2Å; Y149-H395 AromaticContact CE2-CD2 3.63Å; Y149-H395 AromaticContact CE2-CG 3.68Å; Y149-H395 AromaticContact CE2-ND1 3.92Å; Y149-H395 AromaticContact CE2-NE2 3.88Å; Y149-H395 HydrophobicContact CG-CB 4.34Å; Y149-H395 AromaticContact CZ-CD2 3.61Å; Y149-H395 AromaticContact CZ-CG 3.71Å; S391-H395 PolarHBondContact O-CD2 3.12Å; S391-H395 VanDerWaalsContact O-CD2 3.31Å; S391-H395 PolarHBondContact O-N 3.17Å; A392-H395 WeakPolarHBondContact O-CB 3.28Å; A392-H395 PolarHBondContact O-N 3.26Å; W393-H395 VanDerWaalsContact C-N 3.33Å; W393-H395 PolarHBondContact O-N 3.12Å; H395-K397 VanDerWaalsContact C-N 3.31Å; H395-K397 PolarHBondContact O-N 2.67Å; H395-T398 PolarHBondContact O-OG1 3.24Å; H395-T398 VanDerWaalsContact O-OG1 3.09Å
396Y92.8Very high92.5Very high16 Ų1690.3 Ų90.36%0.06347%0.467CS..THydrogen-bonded Turntrans-81.5-8.4177.4-64.1-73.2000114.5E63 L66 L67 Y149 F150 A392 W393 R394E63-Y396 HydrophobicContact CB-CE2 4.05Å; E63-Y396 HydrophobicContact CG-CE2 3.93Å; E63-Y396 PolarHBondContact OE2-OH 3.04Å; L66-Y396 HydrophobicContact CB-CD1 4.05Å; L66-Y396 HydrophobicContact CB-CD2 3.99Å; L66-Y396 HydrophobicContact CB-CG 3.67Å; L66-Y396 HydrophobicContact CD1-CD2 3.64Å; L66-Y396 HydrophobicContact CD1-CE2 4.35Å; L66-Y396 HydrophobicContact CD1-CG 4.09Å; L66-Y396 HydrophobicContact CG-CD2 4.49Å; L67-Y396 HydrophobicContact CD2-CE1 4.4Å; Y149-Y396 HydrophobicContact CD1-CE1 4.26Å; Y149-Y396 HydrophobicContact CD1-CE2 4.16Å; Y149-Y396 AromaticContact CD1-CZ 3.76Å; Y149-Y396 AromaticContact CE1-CE2 3.73Å; Y149-Y396 HydrophobicContact CE1-CE2 3.73Å; Y149-Y396 AromaticContact CE1-CZ 3.77Å; F150-Y396 WeakPolarHBondContact CA-OH 3.42Å; F150-Y396 HydrophobicContact CB-CE1 4Å; F150-Y396 WeakPolarHBondContact CB-OH 3.09Å; A392-Y396 WeakPolarHBondContact O-CD2 3.5Å; W393-Y396 PolarHBondContact O-N 3.27Å; R394-Y396 PolarHBondContact O-N 3.01Å
397K90.7Very high92.3Very high113 Ų11395.5 Ų95.549%0.49149%0.494SS..THydrogen-bonded Turntrans-122.26.2-174.5-61.9-61.1179.3-163.80113.2W393 R394 H395W393-K397 HydrophobicContact CD2-CG 4Å; W393-K397 HydrophobicContact CE3-CG 4.29Å; W393-K397 HydrophobicContact CH2-CB 4.2Å; W393-K397 HydrophobicContact CH2-CG 3.93Å; W393-K397 HydrophobicContact CZ2-CB 4.4Å; W393-K397 HydrophobicContact CZ2-CD 4.36Å; W393-K397 HydrophobicContact CZ2-CG 3.63Å; W393-K397 HydrophobicContact CZ3-CB 4.27Å; W393-K397 HydrophobicContact CZ3-CG 4.25Å; W393-K397 PolarHBondContact O-N 3.37Å; R394-K397 CarbonylContact O-C 3.53Å; R394-K397 PolarHBondContact O-N 3.31Å; H395-K397 VanDerWaalsContact C-N 3.31Å; H395-K397 PolarHBondContact O-N 2.67Å
398T86.8Confident92Very high58 Ų5898.8 Ų98.836%0.35652%0.516SS..  trans-58.1156.6168.347.20000109.6F142 R394 H395F142-T398 WeakPolarHBondContact CZ-O 3.49Å; F142-T398 WeakPolarHBondContact CZ-OG1 3.42Å; R394-T398 WeakPolarHBondContact O-CG2 3.33Å; R394-T398 PolarHBondContact O-N 3.46Å; H395-T398 PolarHBondContact O-OG1 3.24Å; H395-T398 VanDerWaalsContact O-OG1 3.09Å
399T85.9Confident91.8Very high96 Ų96101 Ų10159%0.58954%0.535SS*.  trans-119.1159.9169.851.70000108E401T399-E401 PolarHBondContact O-N 3.26Å
400P85.4Confident91.7Very high99 Ų99103.4 Ų103.464%0.64356%0.557SS**  trans-54.7128.8172-23.833.7000110.5F142F142-P400 HydrophobicContact CB-CG 4.43Å; F142-P400 HydrophobicContact CD1-CG 4.47Å; F142-P400 HydrophobicContact CD2-CG 4.04Å; F142-P400 HydrophobicContact CG-CG 4.03Å
401E85.8Confident91.7Very high163 Ų163104.3 Ų104.376%0.76256%0.564SS**  trans-106.7156.3174.8-68.7177.4-172.400108.9T399T399-E401 PolarHBondContact O-N 3.26Å
402A86Confident91.5Very high91 Ų91106.2 Ų106.275%0.75258%0.575SS**  trans-62.6142.9169.600000108.6D404A402-D404 PolarHBondContact O-N 3.33Å
403D88.4Confident91.2Very high102 Ų102116 Ų11655%0.54561%0.611SS.*  trans-62.5135.7177.4-161.9-25.4000109.9W405 N407D403-W405 PolarHBondContact O-N 2.94Å; D403-W405 PolarHBondContact OD1-N 3.36Å; D403-W405 VanDerWaalsContact OD1-N 3.11Å; D403-N407 WeakPolarHBondContact CB-ND2 3.19Å; D403-N407 VanDerWaalsContact CG-ND2 3.31Å; D403-N407 PolarHBondContact OD2-ND2 2.94Å
404D93.1Very high91Very high149 Ų149115.8 Ų115.880%0.79762%0.618SS**SBendtrans-66.9-18.3178-75.3-27.8000111.9A402A402-D404 PolarHBondContact O-N 3.33Å
405W95.3Very high90.8Very high207 Ų207112.7 Ų112.778%0.78462%0.623SS**SBendtrans-120.9154.6-178.7-63.685.1000112.7D403 N407D403-W405 PolarHBondContact O-N 2.94Å; D403-W405 PolarHBondContact OD1-N 3.36Å; D403-W405 VanDerWaalsContact OD1-N 3.11Å; W405-N407 PolarHBondContact O-N 2.6Å; W405-N407 PolarHBondContact O-ND2 2.97Å
406S92.9Very high90.5Very high117 Ų117113 Ų11382%0.81864%0.635SS**PPolyproline II helixtrans-63.4130.618061.40000111.4
407N93.6Very high89.8Confident114 Ų114120.7 Ų120.761%0.6167%0.668SS**PPolyproline II helixtrans-103.3129.4169.9-78.4-88.1000109.8D403 W405D403-N407 WeakPolarHBondContact CB-ND2 3.19Å; D403-N407 VanDerWaalsContact CG-ND2 3.31Å; D403-N407 PolarHBondContact OD2-ND2 2.94Å; W405-N407 PolarHBondContact O-N 2.6Å; W405-N407 PolarHBondContact O-ND2 2.97Å
408P93.2Very high88.3Confident113 Ų113123.9 Ų123.973%0.73468%0.679SS**PPolyproline II helixtrans-68.1154.5177.829.8-34.6000111.1
409S93.6Very high87.1Confident74 Ų74130.2 Ų130.252%0.51770%0.701SS.*PPolyproline II helixtrans-59.5142.5167.7177.20000110.2E411 P412S409-E411 PolarHBondContact O-N 3.16Å; S409-E411 VanDerWaalsContact OG-C 3.25Å; S409-E411 PolarHBondContact OG-N 3.48Å; S409-E411 PolarHBondContact OG-O 3.3Å; S409-P412 WeakPolarHBondContact O-CD 3.43Å; S409-P412 WeakPolarHBondContact O-CG 3.36Å
410S93.9Very high85.7Confident121 Ų121129.5 Ų129.585%0.84671%0.705SS**SBendtrans-62.5-21.9168.454.50000112.3
411E93.4Very high84.1Confident163 Ų163133.9 Ų133.976%0.76271%0.714SS**SBendtrans-123.179.7174.4-59.9-179.7143.600108.3S409 R413S409-E411 PolarHBondContact O-N 3.16Å; S409-E411 VanDerWaalsContact OG-C 3.25Å; S409-E411 PolarHBondContact OG-N 3.48Å; S409-E411 PolarHBondContact OG-O 3.3Å; E411-R413 PolarHBondContact O-N 3.03Å
412P92.8Very high82.5Confident101 Ų101134.6 Ų134.666%0.65672%0.718SS**  trans-60137.8175.6-21.233.1000110.1S409 D414S409-P412 WeakPolarHBondContact O-CD 3.43Å; S409-P412 WeakPolarHBondContact O-CG 3.36Å; P412-D414 PolarHBondContact O-N 2.93Å
413R89.4Confident80.6Confident207 Ų207136.5 Ų136.578%0.78172%0.715SS**  trans-62.5129.1178.7-175.1-179.2-69.2170-2110E411 A415E411-R413 PolarHBondContact O-N 3.03Å; R413-A415 PolarHBondContact O-N 3.18Å; R413-A415 VanDerWaalsContact O-N 3.07Å
414D91.1Very high78.7Confident94 Ų94141.3 Ų141.350%0.50373%0.731SS.*  trans-66106.8173.9-179.57.1000110.8P412 S416P412-D414 PolarHBondContact O-N 2.93Å; D414-S416 PolarHBondContact O-N 2.84Å; D414-S416 WeakPolarHBondContact OD1-CB 3.15Å; D414-S416 PolarHBondContact OD1-N 2.69Å; D414-S416 PolarHBondContact OD1-OG 2.96Å; D414-S416 PolarHBondContact OD2-OG 2.83Å
415A90.3Very high76.5Confident80 Ų80140.3 Ų140.366%0.66172%0.724SS**G310 helixtrans-73.2-11.6179.100000113.1R413 K417 Y418R413-A415 PolarHBondContact O-N 3.18Å; R413-A415 VanDerWaalsContact O-N 3.07Å; A415-K417 VanDerWaalsContact C-N 3.29Å; A415-K417 PolarHBondContact O-N 2.8Å; A415-Y418 PolarHBondContact O-N 2.75Å
416S87.3Confident74.4Confident94 Ų94140.3 Ų140.366%0.65773%0.73SS**G310 helixtrans-69.6-23.5-177.174.70000113.7D414D414-S416 PolarHBondContact O-N 2.84Å; D414-S416 WeakPolarHBondContact OD1-CB 3.15Å; D414-S416 PolarHBondContact OD1-N 2.69Å; D414-S416 PolarHBondContact OD1-OG 2.96Å; D414-S416 PolarHBondContact OD2-OG 2.83Å
417K76.8Confident72.1Confident178 Ų178139.8 Ų139.877%0.77472%0.722SS**G310 helixtrans-90.50.5178.5-66.9-157.9176.7-179.90114.5A415 K419A415-K417 VanDerWaalsContact C-N 3.29Å; A415-K417 PolarHBondContact O-N 2.8Å; K417-K419 PolarHBondContact O-N 2.89Å
418Y59.3Low69.5Low180 Ų180140.6 Ų140.671%0.70673%0.726SS**  trans-75.175.7173.7-123.6-93000109.6A415 A420A415-Y418 PolarHBondContact O-N 2.75Å; Y418-A420 PolarHBondContact O-N 3.05Å
419K60.7Low67.1Low191 Ų191146 Ų14683%0.8373%0.732SS**  trans-64.3109159.2-77.9-173178.1-178.80106K417 K421K417-K419 PolarHBondContact O-N 2.89Å; K419-K421 PolarHBondContact O-N 2.86Å
420A57.8Low64.7Low81 Ų81148.2 Ų148.267%0.66974%0.742SS**  trans-47.4112.4160.800000106.1Y418 Q422Y418-A420 PolarHBondContact O-N 3.05Å; A420-Q422 PolarHBondContact O-N 3.32Å
421K51.2Low62.1Low191 Ų191155.9 Ų155.983%0.8376%0.761SS**  trans-61.289.5153.7-84.1-178.1175.4178.40103.2K419 D423K419-K421 PolarHBondContact O-N 2.86Å; K421-D423 PolarHBondContact O-N 2.91Å
422Q52Low60.5Low179 Ų179155.6 Ų155.684%0.83676%0.761SS**  trans-56.796.7152.2-86.8-177.6-1300103.3A420 K424A420-Q422 PolarHBondContact O-N 3.32Å; Q422-K424 PolarHBondContact O-N 2.65Å
423D46.9Very low58.8Low131 Ų131158.4 Ų158.470%0.70177%0.767SS**  trans-45.4115159.2-77.4-38.8000105.2K421 I425K421-D423 PolarHBondContact O-N 2.91Å; D423-I425 HydrophobicContact CB-CG1 4.21Å; D423-I425 PolarHBondContact O-N 2.88Å
424K48.2Very low57.1Low202 Ų202155.7 Ų155.788%0.87877%0.766SS**  trans-6278.2162-77.9-176175.6-178.60105.8Q422 K426Q422-K424 PolarHBondContact O-N 2.65Å; K424-K426 PolarHBondContact O-N 3.37Å
425I46.9Very low55.1Low128 Ų128159.4 Ų159.466%0.65678%0.781SS**  trans-63.392.5158.9-62.7177.8000103.5D423 T427D423-I425 HydrophobicContact CB-CG1 4.21Å; D423-I425 PolarHBondContact O-N 2.88Å; I425-T427 HydrophobicContact CG2-CG2 3.96Å; I425-T427 PolarHBondContact O-N 3.35Å; I425-T427 PolarHBondContact O-OG1 3.07Å
426K51.4Low52.9Low208 Ų208164.3 Ų164.390%0.90479%0.789SS**  trans-51.794.5161.8-78.2180173.2-179.90106.5K424K424-K426 PolarHBondContact O-N 3.37Å
427T44.1Very low50.6Low105 Ų105169 Ų16964%0.64480%0.798SS**  trans-103.6110.2168.318.60000107.1I425I425-T427 HydrophobicContact CG2-CG2 3.96Å; I425-T427 PolarHBondContact O-N 3.35Å; I425-T427 PolarHBondContact O-OG1 3.07Å
428N39.4Very low48.8Very low132 Ų132168.4 Ų168.471%0.70680%0.799SS**  trans74122.3147.7-61.5-18.5000117.6
429R43.6Very low48Very low227 Ų227167.5 Ų167.586%0.85781%0.806SS**  50114.977.3-71.6-176.6174.4-177.7-1108.5
430T41.3Very low46.9Very low119 Ų119165.5 Ų165.573%0.7380%0.804SS**  cis-173.9141.148.70.60000108
431F39.8Very low45.9Very low283 Ų283173.2 Ų173.2100%1.24182%0.817SS**  -158.60108.8-96.8-72.8000108.7

Retrieved 431 of 431 residues in 240.6 ms (Link to these results)

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