G4VKR1_SCHMA Loading...

BLOC-1-related complex subunit 7

AlphaFold DB , UniProt , Accession G4VKR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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
1M37.6Very low48.4Very low229 Ų229143.2 Ų143.2100%1.12870%0.702SS**  090.40-169.9174.4163.700107.4T3M1-T3 PolarHBondContact O-N 3.31Å; M1-T3 VanDerWaalsContact O-N 3.11Å
2V37.2Very low50Low139 Ų139145 Ų14584%0.84270%0.703SS**  trans-74.4103.7176178.90000105.9K4V2-K4 PolarHBondContact O-N 3Å
3T37.1Very low51.6Low105 Ų105143.5 Ų143.564%0.64470%0.7SS**  trans-57.6107.7167.438.70000106M1 Q5M1-T3 PolarHBondContact O-N 3.31Å; M1-T3 VanDerWaalsContact O-N 3.11Å; T3-Q5 PolarHBondContact O-N 3.44Å
4K43.1Very low52.6Low187 Ų187136.4 Ų136.481%0.81366%0.663SS**  trans-59.289.9167.4-71.1-176.9178.5-176.40105.4V2 R6V2-K4 PolarHBondContact O-N 3Å; K4-R6 VanDerWaalsContact C-N 3.27Å; K4-R6 PolarHBondContact O-N 2.79Å
5Q40.1Very low53.5Low168 Ų168130.7 Ų130.779%0.78564%0.637SS**  trans-57.4105.2165.4-78.3-175.7-200104T3 L7T3-Q5 PolarHBondContact O-N 3.44Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.18Å
6R44.2Very low54.6Low228 Ų228125.9 Ų125.986%0.8663%0.626SS**  trans-56.4102.6166.4-75.9-179.8173168.8-2.8104.4K4 K8K4-R6 VanDerWaalsContact C-N 3.27Å; K4-R6 PolarHBondContact O-N 2.79Å; R6-K8 PolarHBondContact O-N 3.26Å
7L48.6Very low55.6Low107 Ų107126.6 Ų126.656%0.5662%0.624SS**  trans-59.595.1160.5-91.4145.2000103.9Q5 L9Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.18Å; L7-L9 PolarHBondContact O-N 3.47Å
8K53.2Low56.4Low199 Ų199120 Ų12087%0.86559%0.591SS**  trans-63.984.6161.6-78.9-175.1177.5-179.40104.4R6 D10R6-K8 PolarHBondContact O-N 3.26Å; K8-D10 PolarHBondContact O-N 2.83Å
9L56.9Low57.5Low67 Ų67121.2 Ų121.235%0.35159%0.593SS.*  trans-62.8106.2167.9-175.570.9000104.9L7 S11 F14 L67L7-L9 PolarHBondContact O-N 3.47Å; L9-S11 VanDerWaalsContact C-N 3.34Å; L9-S11 PolarHBondContact O-N 3.09Å; L9-F14 HydrophobicContact CD1-CB 4.22Å; L9-F14 HydrophobicContact CD1-CD2 4.13Å; L9-F14 HydrophobicContact CD1-CG 4.49Å; L9-F14 HydrophobicContact CD2-CB 4.38Å; L9-F14 HydrophobicContact CD2-CD2 4.22Å; L9-F14 HydrophobicContact CD2-CG 4.24Å; L9-F14 HydrophobicContact CG-CB 4.24Å; L9-L67 HydrophobicContact CD2-CD1 4.32Å; L9-L67 HydrophobicContact CD2-CD2 4.21Å
10D70Confident58.7Low89 Ų89120.6 Ų120.648%0.47659%0.589SS.*  trans-65.8103170.4-176.8-9.7000107.1K8 K12 L13 F14K8-D10 PolarHBondContact O-N 2.83Å; D10-K12 PolarHBondContact O-N 3.23Å; D10-K12 VanDerWaalsContact O-N 3.11Å; D10-K12 WeakPolarHBondContact OD1-CB 3.48Å; D10-K12 PolarHBondContact OD1-N 3.43Å; D10-L13 HydrophobicContact CB-CB 3.9Å; D10-L13 PolarHBondContact O-N 3.46Å; D10-F14 PolarHBondContact O-N 2.81Å
11S64.2Low59.8Low57 Ų57116.6 Ų116.640%0.39957%0.57SS.*Hα-helixtrans-52.6-32.217963.10000112.2L9 L15L9-S11 VanDerWaalsContact C-N 3.34Å; L9-S11 PolarHBondContact O-N 3.09Å; S11-L15 WeakPolarHBondContact O-CB 3.2Å; S11-L15 WeakPolarHBondContact O-CD1 3.34Å; S11-L15 WeakPolarHBondContact O-CG 3.34Å; S11-L15 PolarHBondContact O-N 2.83Å
12K68.4Low62Low165 Ų165109.3 Ų109.372%0.71753%0.53SS*.Hα-helixtrans-70.7-43.5177.7-64.6-176.9178.4-179.20111.2D10 L15 A16D10-K12 PolarHBondContact O-N 3.23Å; D10-K12 VanDerWaalsContact O-N 3.11Å; D10-K12 WeakPolarHBondContact OD1-CB 3.48Å; D10-K12 PolarHBondContact OD1-N 3.43Å; K12-L15 PolarHBondContact O-N 3.32Å; K12-A16 WeakPolarHBondContact O-CB 3.44Å; K12-A16 PolarHBondContact O-N 3.35Å
13L70.4Confident64.3Low125 Ų125110.5 Ų110.565%0.65452%0.524SS*.Hα-helixtrans-66.2-42.7177.9-172.466.4000111.5D10 A16 K17D10-L13 HydrophobicContact CB-CB 3.9Å; D10-L13 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 PolarHBondContact O-N 3.42Å
14F65.6Low66.6Low44 Ų44111.1 Ų111.119%0.19352%0.518CS..Hα-helixtrans-58.1-50.5174.5-179.8-97.2000111.1L9 D10 A16 K17 I18 A71L9-F14 HydrophobicContact CD1-CB 4.22Å; L9-F14 HydrophobicContact CD1-CD2 4.13Å; L9-F14 HydrophobicContact CD1-CG 4.49Å; L9-F14 HydrophobicContact CD2-CB 4.38Å; L9-F14 HydrophobicContact CD2-CD2 4.22Å; L9-F14 HydrophobicContact CD2-CG 4.24Å; L9-F14 HydrophobicContact CG-CB 4.24Å; D10-F14 PolarHBondContact O-N 2.81Å; F14-A16 PolarHBondContact O-N 3.05Å; F14-K17 PolarHBondContact O-N 3.33Å; F14-I18 HydrophobicContact CD1-CG1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 4.47Å; F14-I18 HydrophobicContact CE1-CG1 3.9Å; F14-I18 HydrophobicContact CE2-CD1 4.49Å; F14-I18 HydrophobicContact CE2-CG1 4.43Å; F14-I18 HydrophobicContact CZ-CD1 4.12Å; F14-I18 HydrophobicContact CZ-CG1 4.01Å; F14-I18 VanDerWaalsContact O-CG1 3.28Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å; F14-I18 PolarHBondContact O-N 2.94Å; F14-A71 HydrophobicContact CE2-CB 3.81Å; F14-A71 HydrophobicContact CZ-CB 4.15Å
15L66.5Low68.6Low51 Ų51103.5 Ų103.527%0.26749%0.486SS..Hα-helixtrans-65.2-37.6179.4-70.8172.2000112.9S11 K12 K19 Y128S11-L15 WeakPolarHBondContact O-CB 3.2Å; S11-L15 WeakPolarHBondContact O-CD1 3.34Å; S11-L15 WeakPolarHBondContact O-CG 3.34Å; S11-L15 PolarHBondContact O-N 2.83Å; K12-L15 PolarHBondContact O-N 3.32Å; L15-K19 WeakPolarHBondContact O-CB 3.35Å; L15-K19 WeakPolarHBondContact O-CG 3.36Å; L15-K19 PolarHBondContact O-N 3.22Å; L15-Y128 HydrophobicContact CD2-CD2 4.49Å; L15-Y128 HydrophobicContact CD2-CE2 4.13Å
16A70Confident70.6Confident55 Ų5599.9 Ų99.946%0.45547%0.467SS..Hα-helixtrans-62.9-44.8176.200000111.4K12 L13 F14 K19 E20K12-A16 WeakPolarHBondContact O-CB 3.44Å; K12-A16 PolarHBondContact O-N 3.35Å; L13-A16 PolarHBondContact O-N 3.37Å; F14-A16 PolarHBondContact O-N 3.05Å; A16-K19 PolarHBondContact O-N 2.83Å; A16-E20 PolarHBondContact O-N 3.3Å; A16-E20 VanDerWaalsContact O-N 3.07Å
17K71.5Confident72.6Confident137 Ų13791.5 Ų91.560%0.59644%0.444SS*.Hα-helixtrans-60.5-49.4176.1-175.1176.5179.5-1750111.6L13 F14 K19 E20 D21L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 PolarHBondContact O-N 3.42Å; F14-K17 PolarHBondContact O-N 3.33Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.46Å; K17-E20 PolarHBondContact O-N 3.26Å; K17-E20 VanDerWaalsContact O-N 3.16Å; K17-D21 PolarHBondContact O-N 2.64Å
18I71.5Confident74.3Confident8 Ų891 Ų914%0.04144%0.44CS..Hα-helixtrans-57.4-42.4176.5-66.5-67.4000111.2F14 E20 D21 R22 A71 E74 L75F14-I18 HydrophobicContact CD1-CG1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 4.47Å; F14-I18 HydrophobicContact CE1-CG1 3.9Å; F14-I18 HydrophobicContact CE2-CD1 4.49Å; F14-I18 HydrophobicContact CE2-CG1 4.43Å; F14-I18 HydrophobicContact CZ-CD1 4.12Å; F14-I18 HydrophobicContact CZ-CG1 4.01Å; F14-I18 VanDerWaalsContact O-CG1 3.28Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å; F14-I18 PolarHBondContact O-N 2.94Å; I18-E20 PolarHBondContact O-N 2.92Å; I18-D21 PolarHBondContact O-N 3.36Å; I18-R22 HydrophobicContact CG2-CG 4.36Å; I18-R22 WeakPolarHBondContact O-CB 3.27Å; I18-R22 VanDerWaalsContact O-CG 3.24Å; I18-R22 WeakPolarHBondContact O-CG 3.49Å; I18-R22 PolarHBondContact O-N 3.36Å; I18-A71 HydrophobicContact CD1-CB 4.38Å; I18-E74 WeakPolarHBondContact CD1-OE2 3.45Å; I18-E74 WeakPolarHBondContact CG2-OE2 3.03Å; I18-L75 HydrophobicContact CD1-CD2 4.31Å; I18-L75 HydrophobicContact CD1-CG 4.3Å
19K76.1Confident75.6Confident143 Ų14381.6 Ų81.662%0.62240%0.399SS*.Hα-helixtrans-62.7-41177.3-78.4-179.6178.7-173.20113.1L15 A16 K17 K23L15-K19 WeakPolarHBondContact O-CB 3.35Å; L15-K19 WeakPolarHBondContact O-CG 3.36Å; L15-K19 PolarHBondContact O-N 3.22Å; A16-K19 PolarHBondContact O-N 2.83Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.46Å; K19-K23 PolarHBondContact O-N 3.35Å
20E81.5Confident76.8Confident108 Ų10883.6 Ų83.651%0.50541%0.407SS..Hα-helixtrans-66.9-45.1177.2-169.5-173.1153.500111.2A16 K17 I18 R22 K23 K24A16-E20 PolarHBondContact O-N 3.3Å; A16-E20 VanDerWaalsContact O-N 3.07Å; K17-E20 PolarHBondContact O-N 3.26Å; K17-E20 VanDerWaalsContact O-N 3.16Å; I18-E20 PolarHBondContact O-N 2.92Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 2.77Å; E20-K23 WeakPolarHBondContact O-CB 3.46Å; E20-K23 PolarHBondContact O-N 3.2Å; E20-K23 VanDerWaalsContact O-N 3.13Å; E20-K24 PolarHBondContact O-N 2.88Å; E20-K24 VanDerWaalsContact OE1-CE 3.27Å; E20-K24 WeakPolarHBondContact OE1-CE 3.37Å; E20-K24 IonicContact OE1-NZ 3.59Å; E20-K24 PolarHBondContact OE1-NZ 2.96Å
21D82Confident77.5Confident38 Ų3886.7 Ų86.720%0.20342%0.416CS..Hα-helixtrans-63.8-39.4179.4-69-24.7000111.1K17 I18 K23 K24 I25 L75K17-D21 PolarHBondContact O-N 2.64Å; I18-D21 PolarHBondContact O-N 3.36Å; D21-K23 VanDerWaalsContact C-N 3.34Å; D21-K23 PolarHBondContact O-N 3.45Å; D21-K24 PolarHBondContact O-N 2.9Å; D21-I25 WeakPolarHBondContact O-CB 3.38Å; D21-I25 VanDerWaalsContact O-CG1 3.26Å; D21-I25 WeakPolarHBondContact O-CG1 3.01Å; D21-I25 PolarHBondContact O-N 2.95Å; D21-L75 HydrophobicContact CB-CD1 3.85Å; D21-L75 HydrophobicContact CB-CD2 3.53Å; D21-L75 HydrophobicContact CB-CG 4.37Å
22R83.7Confident78.3Confident75 Ų7584.8 Ų84.828%0.28340%0.401SS..Hα-helixtrans-57-41.2171.8-76.7-179.4178.5-174.31.3113I18 E20 I25 F26 E74 L75 F78 Y128I18-R22 HydrophobicContact CG2-CG 4.36Å; I18-R22 WeakPolarHBondContact O-CB 3.27Å; I18-R22 VanDerWaalsContact O-CG 3.24Å; I18-R22 WeakPolarHBondContact O-CG 3.49Å; I18-R22 PolarHBondContact O-N 3.36Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 2.77Å; R22-I25 PolarHBondContact O-N 2.78Å; R22-F26 WeakPolarHBondContact O-CB 3.41Å; R22-F26 PolarHBondContact O-N 2.72Å; R22-E74 IonicContact CZ-OE1 2.64Å; R22-E74 IonicContact NE-OE1 2.71Å; R22-E74 PolarHBondContact NE-OE1 3.25Å; R22-E74 IonicContact NH2-OE1 2.72Å; R22-E74 PolarHBondContact NH2-OE1 3.18Å; R22-L75 HydrophobicContact CG-CD2 4.31Å; R22-F78 HydrophobicContact CB-CD1 4.01Å; R22-F78 HydrophobicContact CB-CE1 3.64Å; R22-F78 HydrophobicContact CB-CE2 4.36Å; R22-F78 HydrophobicContact CB-CZ 3.84Å; R22-F78 HydrophobicContact CG-CB 4.49Å; R22-F78 HydrophobicContact CG-CD1 3.68Å; R22-F78 HydrophobicContact CG-CD2 3.97Å; R22-F78 HydrophobicContact CG-CE1 3.81Å; R22-F78 HydrophobicContact CG-CE2 4.08Å; R22-F78 HydrophobicContact CG-CG 3.77Å; R22-F78 HydrophobicContact CG-CZ 4.01Å; R22-F78 WeakPolarHBondContact O-CE1 3.34Å; R22-Y128 PolarHBondContact NH2-OH 3.11Å
23K85Confident78.6Confident165 Ų16577.8 Ų77.872%0.71737%0.374SS*.Hα-helixtrans-64.9-43.3177.4-72.2-178.9178.8-177.10111.8K19 E20 D21 F26 S27K19-K23 PolarHBondContact O-N 3.35Å; E20-K23 WeakPolarHBondContact O-CB 3.46Å; E20-K23 PolarHBondContact O-N 3.2Å; E20-K23 VanDerWaalsContact O-N 3.13Å; D21-K23 VanDerWaalsContact C-N 3.34Å; D21-K23 PolarHBondContact O-N 3.45Å; K23-F26 PolarHBondContact O-N 3.08Å; K23-S27 PolarHBondContact O-N 3.15Å
24K86.9Confident78.9Confident118 Ų11874.8 Ų74.851%0.51337%0.373SS..Hα-helixtrans-62.7-45176.9-67.9173.9-174.5161.40111.1E20 D21 S27 M28E20-K24 PolarHBondContact O-N 2.88Å; E20-K24 VanDerWaalsContact OE1-CE 3.27Å; E20-K24 WeakPolarHBondContact OE1-CE 3.37Å; E20-K24 IonicContact OE1-NZ 3.59Å; E20-K24 PolarHBondContact OE1-NZ 2.96Å; D21-K24 PolarHBondContact O-N 2.9Å; K24-S27 PolarHBondContact O-N 2.82Å; K24-M28 PolarHBondContact O-N 3.11Å
25I83.6Confident79.7Confident27 Ų2778 Ų7814%0.13839%0.389CS..Hα-helixtrans-59.8-46.8176.3-74.5167.9000111.2D21 R22 S27 M28 V29 L75 F78 S79D21-I25 WeakPolarHBondContact O-CB 3.38Å; D21-I25 VanDerWaalsContact O-CG1 3.26Å; D21-I25 WeakPolarHBondContact O-CG1 3.01Å; D21-I25 PolarHBondContact O-N 2.95Å; R22-I25 PolarHBondContact O-N 2.78Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3Å; I25-M28 WeakPolarHBondContact O-CB 3.25Å; I25-M28 PolarHBondContact O-N 3.28Å; I25-M28 VanDerWaalsContact O-N 3.12Å; I25-V29 HydrophobicContact CG2-CG2 4.15Å; I25-V29 WeakPolarHBondContact O-CG2 3.47Å; I25-V29 PolarHBondContact O-N 3.29Å; I25-L75 HydrophobicContact CD1-CB 3.65Å; I25-L75 HydrophobicContact CD1-CD1 4.45Å; I25-L75 HydrophobicContact CD1-CD2 3.65Å; I25-L75 HydrophobicContact CD1-CG 4.1Å; I25-F78 HydrophobicContact CB-CD1 4.4Å; I25-F78 HydrophobicContact CB-CE1 4.49Å; I25-F78 HydrophobicContact CG2-CD1 3.85Å; I25-F78 HydrophobicContact CG2-CE1 4.12Å; I25-S79 WeakPolarHBondContact CG2-OG 3.41Å
26F82.7Confident80.4Confident91 Ų9178.7 Ų78.740%0.39940%0.398SS..Hα-helixtrans-56-49.4179.5-178-93.1000111.2R22 K23 M28 V29 E30 V82R22-F26 WeakPolarHBondContact O-CB 3.41Å; R22-F26 PolarHBondContact O-N 2.72Å; K23-F26 PolarHBondContact O-N 3.08Å; F26-M28 VanDerWaalsContact C-N 3.32Å; F26-M28 PolarHBondContact O-N 3.49Å; F26-V29 PolarHBondContact O-N 3.46Å; F26-E30 HydrophobicContact CD1-CG 4.32Å; F26-E30 HydrophobicContact CE1-CG 3.88Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.37Å; F26-E30 HydrophobicContact CZ-CG 4.08Å; F26-E30 VanDerWaalsContact CZ-OE1 3.32Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.46Å; F26-E30 PolarHBondContact O-N 3.16Å; F26-V82 HydrophobicContact CD2-CB 4.5Å; F26-V82 HydrophobicContact CD2-CG1 3.55Å; F26-V82 HydrophobicContact CD2-CG2 4.02Å; F26-V82 HydrophobicContact CE2-CG1 3.87Å
27S85.2Confident81Confident53 Ų5381.4 Ų81.437%0.37141%0.409SS..Hα-helixtrans-61.6-38.3176.8-174.70000112.9K23 K24 I25 K31K23-S27 PolarHBondContact O-N 3.15Å; K24-S27 PolarHBondContact O-N 2.82Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3Å; S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.38Å
28M84.7Confident81.5Confident95 Ų9578.4 Ų78.447%0.46840%0.399SS..Hα-helixtrans-65-45.2175.8-178.9179.717400111.8K24 I25 F26 K31 L32K24-M28 PolarHBondContact O-N 3.11Å; I25-M28 WeakPolarHBondContact O-CB 3.25Å; I25-M28 PolarHBondContact O-N 3.28Å; I25-M28 VanDerWaalsContact O-N 3.12Å; F26-M28 VanDerWaalsContact C-N 3.32Å; F26-M28 PolarHBondContact O-N 3.49Å; M28-K31 PolarHBondContact O-N 2.86Å; M28-L32 HydrophobicContact CE-CD1 4.2Å; M28-L32 HydrophobicContact CG-CD1 4.32Å; M28-L32 WeakPolarHBondContact O-CG 3.5Å; M28-L32 PolarHBondContact O-N 2.99Å
29V81.5Confident82Confident2 Ų278 Ų781%0.01240%0.397CS..Hα-helixtrans-65-39179.3171.70000111.3I25 F26 K31 L32 A33 V82 M83I25-V29 HydrophobicContact CG2-CG2 4.15Å; I25-V29 WeakPolarHBondContact O-CG2 3.47Å; I25-V29 PolarHBondContact O-N 3.29Å; F26-V29 PolarHBondContact O-N 3.46Å; V29-K31 VanDerWaalsContact C-N 3.34Å; V29-K31 PolarHBondContact O-N 3.04Å; V29-L32 PolarHBondContact O-N 3.32Å; V29-A33 PolarHBondContact O-N 3.19Å; V29-V82 HydrophobicContact CB-CB 4.49Å; V29-V82 HydrophobicContact CB-CG1 3.92Å; V29-V82 HydrophobicContact CG1-CB 4.14Å; V29-V82 HydrophobicContact CG1-CG1 3.59Å; V29-M83 HydrophobicContact CB-CG 4.42Å; V29-M83 HydrophobicContact CG1-CB 4.3Å; V29-M83 HydrophobicContact CG1-CG 3.46Å; V29-M83 VanDerWaalsContact CG1-CG 3.46Å; V29-M83 HydrophobicContact CG2-CG 4.05Å
30E81.6Confident82.3Confident110 Ų11075.9 Ų75.951%0.51439%0.387SS..Hα-helixtrans-60-42.8174.2-77.1-170140.300112.3F26 L32 A33F26-E30 HydrophobicContact CD1-CG 4.32Å; F26-E30 HydrophobicContact CE1-CG 3.88Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.37Å; F26-E30 HydrophobicContact CZ-CG 4.08Å; F26-E30 VanDerWaalsContact CZ-OE1 3.32Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.46Å; F26-E30 PolarHBondContact O-N 3.16Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.35Å; E30-A33 WeakPolarHBondContact O-CB 3.24Å; E30-A33 PolarHBondContact O-N 3.2Å
31K84Confident82.6Confident153 Ų15375.3 Ų75.367%0.66539%0.385SS*.Hα-helixtrans-63.9-40.4174.9-69.2175.8-176.4-179.30111.7S27 M28 V29 A33 G34S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.38Å; M28-K31 PolarHBondContact O-N 2.86Å; V29-K31 VanDerWaalsContact C-N 3.34Å; V29-K31 PolarHBondContact O-N 3.04Å; K31-A33 VanDerWaalsContact C-N 3.3Å; K31-A33 PolarHBondContact O-N 3.36Å; K31-G34 PolarHBondContact O-N 3.36Å
32L81.3Confident82.8Confident17 Ų1775.6 Ų75.69%0.08939%0.385CS..Hα-helixtrans-65.9-29.6177.6-75.4174.4000113.1M28 V29 E30 G34 H35 L38 F39 H42M28-L32 HydrophobicContact CE-CD1 4.2Å; M28-L32 HydrophobicContact CG-CD1 4.32Å; M28-L32 WeakPolarHBondContact O-CG 3.5Å; M28-L32 PolarHBondContact O-N 2.99Å; V29-L32 PolarHBondContact O-N 3.32Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.35Å; L32-G34 PolarHBondContact O-N 3.34Å; L32-G34 VanDerWaalsContact O-N 3.14Å; L32-H35 PolarHBondContact O-N 3.28Å; L32-L38 HydrophobicContact CD2-CB 4.27Å; L32-F39 HydrophobicContact CB-CD2 4.47Å; L32-H42 HydrophobicContact CD1-CB 4.38Å; L32-H42 VanDerWaalsContact CD2-CD2 3.48Å; L32-H42 WeakPolarHBondContact CD2-CD2 3.49Å
33A75Confident82.9Confident18 Ų1872.3 Ų72.315%0.14937%0.374CS..THydrogen-bonded Turntrans-61.6-20.7177.600000113V29 E30 K31 H35V29-A33 PolarHBondContact O-N 3.19Å; E30-A33 WeakPolarHBondContact O-CB 3.24Å; E30-A33 PolarHBondContact O-N 3.2Å; K31-A33 VanDerWaalsContact C-N 3.3Å; K31-A33 PolarHBondContact O-N 3.36Å; A33-H35 PolarHBondContact O-N 3.37Å
34G77.3Confident83.1Confident62 Ų6270.3 Ų70.364%0.63937%0.365SS*.THydrogen-bonded Turntrans-70.1-15.6170.400000114.5K31 L32K31-G34 PolarHBondContact O-N 3.36Å; L32-G34 PolarHBondContact O-N 3.34Å; L32-G34 VanDerWaalsContact O-N 3.14Å
35H83.1Confident83.2Confident111 Ų11168.5 Ų68.551%0.51436%0.358SS..  trans-124.587.4-171.9-60.7-70.1000111.4L32 A33 V37 L38 F39L32-H35 PolarHBondContact O-N 3.28Å; A33-H35 PolarHBondContact O-N 3.37Å; H35-V37 VanDerWaalsContact C-N 3.32Å; H35-V37 PolarHBondContact O-N 2.87Å; H35-V37 VanDerWaalsContact O-N 3.15Å; H35-L38 HydrophobicContact CB-CB 3.96Å; H35-L38 HydrophobicContact CB-CD1 3.93Å; H35-L38 HydrophobicContact CB-CG 4.18Å; H35-L38 PolarHBondContact O-N 2.99Å; H35-L38 VanDerWaalsContact O-N 3.16Å; H35-F39 VanDerWaalsContact O-CB 3.31Å; H35-F39 WeakPolarHBondContact O-CB 3.41Å; H35-F39 PolarHBondContact O-N 2.87Å
36S79.6Confident83.5Confident67 Ų6769.2 Ų69.247%0.46936%0.361SS..Hα-helixtrans-51.9-41.6-172.762.40000115.4K40 H91S36-K40 PolarHBondContact O-N 2.9Å; S36-K40 VanDerWaalsContact O-N 3.08Å; S36-H91 VanDerWaalsContact CB-CE1 3.5Å; S36-H91 WeakPolarHBondContact CB-CE1 3.43Å
37V82.6Confident83.9Confident111 Ų11165.1 Ų65.167%0.67334%0.343SS*.Hα-helixtrans-69.7-48.2-179.41790000111H35 F39 K40 Q41H35-V37 VanDerWaalsContact C-N 3.32Å; H35-V37 PolarHBondContact O-N 2.87Å; H35-V37 VanDerWaalsContact O-N 3.15Å; V37-F39 VanDerWaalsContact C-N 3.3Å; V37-F39 PolarHBondContact O-N 3.3Å; V37-K40 PolarHBondContact O-N 3.47Å; V37-Q41 WeakPolarHBondContact O-CB 3.49Å; V37-Q41 PolarHBondContact O-N 3.16Å
38L82.4Confident84.2Confident74 Ų7466.8 Ų66.839%0.38735%0.348SS..Hα-helixtrans-64-38.9177.1-65.1179.3000111L32 H35 K40 Q41 H42L32-L38 HydrophobicContact CD2-CB 4.27Å; H35-L38 HydrophobicContact CB-CB 3.96Å; H35-L38 HydrophobicContact CB-CD1 3.93Å; H35-L38 HydrophobicContact CB-CG 4.18Å; H35-L38 PolarHBondContact O-N 2.99Å; H35-L38 VanDerWaalsContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 3.39Å; L38-Q41 PolarHBondContact O-N 3.17Å; L38-H42 WeakPolarHBondContact O-CB 3.5Å; L38-H42 PolarHBondContact O-CD2 2.79Å; L38-H42 PolarHBondContact O-N 2.65Å
39F82.6Confident84.6Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-57.9-49.3175.1-174.6-87.3000111.4L32 H35 V37 Q41 A43 M83 V94L32-F39 HydrophobicContact CB-CD2 4.47Å; H35-F39 VanDerWaalsContact O-CB 3.31Å; H35-F39 WeakPolarHBondContact O-CB 3.41Å; H35-F39 PolarHBondContact O-N 2.87Å; V37-F39 VanDerWaalsContact C-N 3.3Å; V37-F39 PolarHBondContact O-N 3.3Å; F39-Q41 PolarHBondContact O-N 3.39Å; F39-A43 WeakPolarHBondContact O-CB 3.46Å; F39-A43 PolarHBondContact O-N 3.21Å; F39-M83 HydrophobicContact CD1-CE 4Å; F39-M83 HydrophobicContact CD2-CE 3.62Å; F39-M83 HydrophobicContact CE1-CB 4.35Å; F39-M83 HydrophobicContact CE1-CE 4Å; F39-M83 HydrophobicContact CE2-CB 3.79Å; F39-M83 HydrophobicContact CE2-CE 3.64Å; F39-M83 HydrophobicContact CE2-CG 3.73Å; F39-M83 HydrophobicContact CG-CE 3.82Å; F39-M83 HydrophobicContact CZ-CB 3.48Å; F39-M83 VanDerWaalsContact CZ-CB 3.48Å; F39-M83 HydrophobicContact CZ-CE 3.84Å; F39-M83 HydrophobicContact CZ-CG 3.93Å; F39-M83 WeakPolarHBondContact CZ-O 3.37Å; F39-M83 WeakPolarHBondContact O-CE 3.49Å; F39-V94 HydrophobicContact CD1-CG1 4Å; F39-V94 HydrophobicContact CE1-CG1 3.86Å
40K83.1Confident85.1Confident98 Ų9865.2 Ų65.243%0.42634%0.344SS..Hα-helixtrans-63.2-43176.6-173.9176.3-177.7173.70112S36 V37 L38 A43 K44 V94 E97S36-K40 PolarHBondContact O-N 2.9Å; S36-K40 VanDerWaalsContact O-N 3.08Å; V37-K40 PolarHBondContact O-N 3.47Å; L38-K40 PolarHBondContact O-N 3.39Å; K40-A43 PolarHBondContact O-N 2.88Å; K40-K44 PolarHBondContact O-N 2.78Å; K40-V94 HydrophobicContact CB-CG1 4.5Å; K40-V94 HydrophobicContact CB-CG2 3.95Å; K40-V94 HydrophobicContact CD-CG2 4.1Å; K40-V94 HydrophobicContact CG-CG1 4.45Å; K40-V94 HydrophobicContact CG-CG2 3.98Å; K40-E97 VanDerWaalsContact CE-OE2 3.27Å; K40-E97 WeakPolarHBondContact CE-OE2 3.44Å; K40-E97 IonicContact NZ-OE2 3.07Å
41Q86.7Confident85.6Confident97 Ų9763.2 Ų63.245%0.45333%0.333SS..Hα-helixtrans-61.2-50.2179.1179.9177.2-11.600111.4V37 L38 F39 A43 K44 E45V37-Q41 WeakPolarHBondContact O-CB 3.49Å; V37-Q41 PolarHBondContact O-N 3.16Å; L38-Q41 PolarHBondContact O-N 3.17Å; F39-Q41 PolarHBondContact O-N 3.39Å; Q41-A43 PolarHBondContact O-N 2.81Å; Q41-K44 PolarHBondContact O-N 3.21Å; Q41-E45 HydrophobicContact CG-CG 4.49Å; Q41-E45 VanDerWaalsContact CG-OE1 3.31Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.49Å; Q41-E45 PolarHBondContact NE2-OE1 2.88Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 3.5Å
42H86.7Confident86Confident43 Ų4361.9 Ų61.920%0.19933%0.329CS..Hα-helixtrans-63.5-39.1178.5-76.4-57.1000112.5L32 L38 K44 E45 F46 M83L32-H42 HydrophobicContact CD1-CB 4.38Å; L32-H42 VanDerWaalsContact CD2-CD2 3.48Å; L32-H42 WeakPolarHBondContact CD2-CD2 3.49Å; L38-H42 WeakPolarHBondContact O-CB 3.5Å; L38-H42 PolarHBondContact O-CD2 2.79Å; L38-H42 PolarHBondContact O-N 2.65Å; H42-K44 VanDerWaalsContact C-N 3.27Å; H42-K44 PolarHBondContact O-N 2.9Å; H42-E45 IonicContact ND1-OE2 3.56Å; H42-E45 PolarHBondContact O-N 2.99Å; H42-F46 WeakPolarHBondContact O-CB 3.43Å; H42-F46 VanDerWaalsContact O-CG 3.27Å; H42-F46 WeakPolarHBondContact O-CG 3.5Å; H42-F46 PolarHBondContact O-N 3.14Å; H42-M83 HydrophobicContact CB-CE 4.34Å
43A86.1Confident86.6Confident6 Ų661.7 Ų61.75%0.0533%0.328CS..Hα-helixtrans-58-42.2175.600000111.7F39 K40 Q41 S47 L80 M83 V94 L98F39-A43 WeakPolarHBondContact O-CB 3.46Å; F39-A43 PolarHBondContact O-N 3.21Å; K40-A43 PolarHBondContact O-N 2.88Å; Q41-A43 PolarHBondContact O-N 2.81Å; A43-S47 WeakPolarHBondContact O-CB 3.46Å; A43-S47 PolarHBondContact O-N 3.42Å; A43-S47 PolarHBondContact O-OG 3.47Å; A43-L80 WeakPolarHBondContact O-CD2 3.14Å; A43-M83 HydrophobicContact CB-CE 3.71Å; A43-M83 HydrophobicContact CB-SD 4.32Å; A43-V94 HydrophobicContact CB-CG1 4.44Å; A43-L98 HydrophobicContact CB-CD1 4.31Å
44K88Confident87.4Confident123 Ų12361 Ų6154%0.53532%0.322SS..Hα-helixtrans-69.4-45.9177.8-175176.1179.6178.60112.1K40 Q41 H42 S47 N48K40-K44 PolarHBondContact O-N 2.78Å; Q41-K44 PolarHBondContact O-N 3.21Å; H42-K44 VanDerWaalsContact C-N 3.27Å; H42-K44 PolarHBondContact O-N 2.9Å; K44-S47 PolarHBondContact O-N 2.98Å; K44-N48 VanDerWaalsContact O-CG 3.3Å; K44-N48 PolarHBondContact O-N 3.32Å; K44-N48 PolarHBondContact O-ND2 2.77Å
45E89.9Confident88Confident80 Ų8061.4 Ų61.437%0.37432%0.315SS..Hα-helixtrans-60.2-47.5177-73.7172.5-174.300111.3Q41 H42 S47 N48 T49Q41-E45 HydrophobicContact CG-CG 4.49Å; Q41-E45 VanDerWaalsContact CG-OE1 3.31Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.49Å; Q41-E45 PolarHBondContact NE2-OE1 2.88Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 3.5Å; H42-E45 IonicContact ND1-OE2 3.56Å; H42-E45 PolarHBondContact O-N 2.99Å; E45-S47 PolarHBondContact O-N 3.41Å; E45-N48 PolarHBondContact O-N 3.49Å; E45-T49 PolarHBondContact O-N 2.86Å; E45-T49 PolarHBondContact O-OG1 3.42Å
46F90.4Very high88.3Confident43 Ų4357.7 Ų57.719%0.18930%0.3CS..Hα-helixtrans-59.5-45.8176.6-79.29.1000111.7H42 N48 T49 A50 I76 L80 M83H42-F46 WeakPolarHBondContact O-CB 3.43Å; H42-F46 VanDerWaalsContact O-CG 3.27Å; H42-F46 WeakPolarHBondContact O-CG 3.5Å; H42-F46 PolarHBondContact O-N 3.14Å; F46-N48 VanDerWaalsContact C-N 3.32Å; F46-N48 PolarHBondContact O-N 3.28Å; F46-T49 PolarHBondContact O-N 3.39Å; F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.3Å; F46-I76 HydrophobicContact CB-CG2 3.78Å; F46-I76 HydrophobicContact CG-CG2 4.29Å; F46-I76 VanDerWaalsContact O-CG2 3.24Å; F46-I76 WeakPolarHBondContact O-CG2 3.48Å; F46-L80 HydrophobicContact CB-CD1 4.44Å; F46-L80 HydrophobicContact CB-CD2 3.72Å; F46-L80 HydrophobicContact CB-CG 4.08Å; F46-M83 HydrophobicContact CD2-SD 4.26Å
47S89.8Confident88.8Confident4 Ų454.6 Ų54.63%0.02828%0.278CS..Hα-helixtrans-59.5-43.1176.5-600000111.8A43 K44 E45 A50 K51 S101A43-S47 WeakPolarHBondContact O-CB 3.46Å; A43-S47 PolarHBondContact O-N 3.42Å; A43-S47 PolarHBondContact O-OG 3.47Å; K44-S47 PolarHBondContact O-N 2.98Å; E45-S47 PolarHBondContact O-N 3.41Å; S47-A50 PolarHBondContact O-N 3.05Å; S47-K51 WeakPolarHBondContact O-CG 3.27Å; S47-K51 PolarHBondContact O-N 3.2Å; S47-S101 WeakPolarHBondContact OG-CB 3.17Å
48N91.8Very high89Confident88 Ų8854.1 Ų54.147%0.47127%0.267SS..Hα-helixtrans-66.6-42.2177.2-70.5-21.5000112.5K44 E45 F46 K51 H52K44-N48 VanDerWaalsContact O-CG 3.3Å; K44-N48 PolarHBondContact O-N 3.32Å; K44-N48 PolarHBondContact O-ND2 2.77Å; E45-N48 PolarHBondContact O-N 3.49Å; F46-N48 VanDerWaalsContact C-N 3.32Å; F46-N48 PolarHBondContact O-N 3.28Å; N48-K51 PolarHBondContact O-N 3Å; N48-H52 PolarHBondContact O-N 2.9Å
49T92.7Very high89.2Confident64 Ų6454.9 Ų54.939%0.39328%0.279SS..Hα-helixtrans-62.4-44.2176.6-58.30000111E45 F46 K51 H52 L53 I76E45-T49 PolarHBondContact O-N 2.86Å; E45-T49 PolarHBondContact O-OG1 3.42Å; F46-T49 PolarHBondContact O-N 3.39Å; T49-K51 PolarHBondContact O-N 3.45Å; T49-H52 PolarHBondContact O-N 2.82Å; T49-L53 HydrophobicContact CG2-CD1 4.09Å; T49-L53 HydrophobicContact CG2-CG 4.42Å; T49-L53 WeakPolarHBondContact O-CG 3.18Å; T49-L53 PolarHBondContact O-N 3.39Å; T49-I76 HydrophobicContact CG2-CD1 3.54Å
50A92.5Very high89.3Confident0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-62-42.417600000112F46 S47 H52 L53 I54 T73 I76 L105F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.3Å; S47-A50 PolarHBondContact O-N 3.05Å; A50-H52 VanDerWaalsContact C-N 3.33Å; A50-H52 PolarHBondContact O-N 3.02Å; A50-L53 PolarHBondContact O-N 3.32Å; A50-I54 WeakPolarHBondContact O-CB 3.08Å; A50-I54 WeakPolarHBondContact O-CD1 3.38Å; A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 2.84Å; A50-T73 HydrophobicContact CB-CG2 4.41Å; A50-I76 HydrophobicContact CB-CB 4.44Å; A50-I76 HydrophobicContact CB-CG2 3.79Å; A50-L105 HydrophobicContact CB-CD1 3.78Å; A50-L105 HydrophobicContact CB-CD2 3.52Å; A50-L105 HydrophobicContact CB-CG 4.32Å
51K91.7Very high89.3Confident68 Ų6857.7 Ų57.730%0.29630%0.299SS..Hα-helixtrans-59.8-43.2174.1-71.9179.3-171.9-164.20112S47 N48 T49 I54 S55 E104 L105S47-K51 WeakPolarHBondContact O-CG 3.27Å; S47-K51 PolarHBondContact O-N 3.2Å; N48-K51 PolarHBondContact O-N 3Å; T49-K51 PolarHBondContact O-N 3.45Å; K51-I54 PolarHBondContact O-N 3.37Å; K51-S55 PolarHBondContact O-N 3.03Å; K51-E104 VanDerWaalsContact CE-CD 3.45Å; K51-E104 VanDerWaalsContact CE-OE1 3.24Å; K51-E104 WeakPolarHBondContact CE-OE1 3.43Å; K51-E104 WeakPolarHBondContact CE-OE2 3.41Å; K51-E104 IonicContact NZ-OE1 2.73Å; K51-E104 PolarHBondContact NZ-OE1 3.05Å; K51-E104 IonicContact NZ-OE2 2.63Å; K51-E104 PolarHBondContact NZ-OE2 2.82Å; K51-L105 HydrophobicContact CG-CD2 3.75Å
52H93.9Very high89.2Confident125 Ų12557 Ų5758%0.57930%0.298SS*.Hα-helixtrans-62.6-47.8176.5179.365.5000111.7N48 T49 A50 I54 S55 V56N48-H52 PolarHBondContact O-N 2.9Å; T49-H52 PolarHBondContact O-N 2.82Å; A50-H52 VanDerWaalsContact C-N 3.33Å; A50-H52 PolarHBondContact O-N 3.02Å; H52-I54 VanDerWaalsContact C-N 3.32Å; H52-I54 PolarHBondContact O-N 3.13Å; H52-S55 WeakPolarHBondContact O-CA 3.48Å; H52-S55 VanDerWaalsContact O-CB 3.28Å; H52-S55 WeakPolarHBondContact O-CB 3.19Å; H52-S55 PolarHBondContact O-N 3.14Å; H52-S55 VanDerWaalsContact O-N 3.09Å; H52-V56 WeakPolarHBondContact O-CG2 3.32Å; H52-V56 PolarHBondContact O-N 3.45Å
53L93.2Very high88.9Confident14 Ų1457.7 Ų57.77%0.07330%0.302CS..Hα-helixtrans-61.9-38.5177.3-69.8170.5000112.2T49 A50 S55 V56 M57 E72 T73 I76T49-L53 HydrophobicContact CG2-CD1 4.09Å; T49-L53 HydrophobicContact CG2-CG 4.42Å; T49-L53 WeakPolarHBondContact O-CG 3.18Å; T49-L53 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 3.32Å; L53-S55 VanDerWaalsContact C-N 3.33Å; L53-S55 PolarHBondContact O-N 2.94Å; L53-V56 WeakPolarHBondContact O-CB 3.44Å; L53-V56 PolarHBondContact O-N 2.94Å; L53-M57 WeakPolarHBondContact O-CG 3.35Å; L53-M57 PolarHBondContact O-N 3.44Å; L53-E72 HydrophobicContact CD1-CB 3.66Å; L53-T73 VanDerWaalsContact CB-OG1 3.23Å; L53-T73 WeakPolarHBondContact CB-OG1 3.24Å; L53-I76 HydrophobicContact CD1-CD1 3.63Å
54I90.7Very high88.8Confident4 Ų463.5 Ų63.52%0.02133%0.326CS..Hα-helixtrans-63.4-40.5173.3-67.1162.7000111.3A50 K51 H52 V56 M57 K58 T73 L105 L109 I112A50-I54 WeakPolarHBondContact O-CB 3.08Å; A50-I54 WeakPolarHBondContact O-CD1 3.38Å; A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 2.84Å; K51-I54 PolarHBondContact O-N 3.37Å; H52-I54 VanDerWaalsContact C-N 3.32Å; H52-I54 PolarHBondContact O-N 3.13Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 2.86Å; I54-M57 HydrophobicContact CB-CE 4.11Å; I54-M57 HydrophobicContact CG1-CE 3.55Å; I54-M57 PolarHBondContact O-N 3.4Å; I54-K58 HydrophobicContact CG2-CD 4.32Å; I54-K58 WeakPolarHBondContact O-CG 3.44Å; I54-K58 PolarHBondContact O-N 3.17Å; I54-T73 HydrophobicContact CD1-CG2 4.39Å; I54-T73 HydrophobicContact CG1-CG2 4.11Å; I54-L105 HydrophobicContact CD1-CD2 3.66Å; I54-L109 HydrophobicContact CD1-CD2 4.07Å; I54-L109 HydrophobicContact CD1-CG 3.82Å; I54-L109 HydrophobicContact CG1-CD2 3.91Å; I54-L109 HydrophobicContact CG1-CG 4.23Å; I54-I112 HydrophobicContact CG2-CD1 4.01Å; I54-I112 HydrophobicContact CG2-CG1 4.14Å
55S91.5Very high88.7Confident70 Ų7060.1 Ų60.149%0.4932%0.315SS..Hα-helixtrans-59.8-43.7172.5-169.70000111.5K51 H52 L53 K58 S59K51-S55 PolarHBondContact O-N 3.03Å; H52-S55 WeakPolarHBondContact O-CA 3.48Å; H52-S55 VanDerWaalsContact O-CB 3.28Å; H52-S55 WeakPolarHBondContact O-CB 3.19Å; H52-S55 PolarHBondContact O-N 3.14Å; H52-S55 VanDerWaalsContact O-N 3.09Å; L53-S55 VanDerWaalsContact C-N 3.33Å; L53-S55 PolarHBondContact O-N 2.94Å; S55-K58 PolarHBondContact O-N 2.94Å; S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 3.42Å
56V89.5Confident88.5Confident33 Ų3356.8 Ų56.820%0.230%0.299CS..Hα-helixtrans-60.9-45.5175.8173.10000110.8H52 L53 I54 K58 S59 T60 V65H52-V56 WeakPolarHBondContact O-CG2 3.32Å; H52-V56 PolarHBondContact O-N 3.45Å; L53-V56 WeakPolarHBondContact O-CB 3.44Å; L53-V56 PolarHBondContact O-N 2.94Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 2.86Å; V56-K58 VanDerWaalsContact C-N 3.26Å; V56-K58 PolarHBondContact O-N 3.45Å; V56-S59 PolarHBondContact O-N 2.89Å; V56-S59 PolarHBondContact O-OG 2.89Å; V56-T60 HydrophobicContact CG1-CG2 4.48Å; V56-T60 VanDerWaalsContact O-CB 3.25Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 WeakPolarHBondContact O-CG2 3.41Å; V56-T60 PolarHBondContact O-N 3.12Å; V56-V65 HydrophobicContact CG1-CG1 3.58Å
57M88.8Confident88.1Confident2 Ų255.7 Ų55.71%0.0130%0.295CS..Hα-helixtrans-60.2-34.7177.6-73.2-172.9-7400112.9L53 I54 Y66 S69 I70 T73 L109 I112L53-M57 WeakPolarHBondContact O-CG 3.35Å; L53-M57 PolarHBondContact O-N 3.44Å; I54-M57 HydrophobicContact CB-CE 4.11Å; I54-M57 HydrophobicContact CG1-CE 3.55Å; I54-M57 PolarHBondContact O-N 3.4Å; M57-Y66 HydrophobicContact CB-CD2 4.02Å; M57-Y66 HydrophobicContact CB-CE2 3.95Å; M57-Y66 HydrophobicContact CG-CD2 4.18Å; M57-Y66 HydrophobicContact CG-CE2 4.31Å; M57-Y66 WeakPolarHBondContact O-CD2 3.44Å; M57-S69 VanDerWaalsContact CG-CB 3.44Å; M57-I70 HydrophobicContact SD-CB 4.26Å; M57-I70 HydrophobicContact SD-CG1 3.39Å; M57-I70 WeakPolarHBondContact SD-CG1 3.27Å; M57-T73 HydrophobicContact CE-CG2 4.04Å; M57-T73 WeakPolarHBondContact CE-OG1 3.27Å; M57-L109 HydrophobicContact CE-CD2 3.97Å; M57-I112 HydrophobicContact CB-CD1 4.07Å; M57-I112 HydrophobicContact CE-CD1 3.64Å; M57-I112 HydrophobicContact SD-CD1 4.05Å
58K86.6Confident87.9Confident101 Ų10159.4 Ų59.444%0.43932%0.315SS..Hα-helixtrans-73.8-27.7178.8-74.7177.2174.3-176.40113.6I54 S55 V56 S111 I112I54-K58 HydrophobicContact CG2-CD 4.32Å; I54-K58 WeakPolarHBondContact O-CG 3.44Å; I54-K58 PolarHBondContact O-N 3.17Å; S55-K58 PolarHBondContact O-N 2.94Å; V56-K58 VanDerWaalsContact C-N 3.26Å; V56-K58 PolarHBondContact O-N 3.45Å; K58-S111 WeakPolarHBondContact CE-OG 3.21Å; K58-S111 PolarHBondContact NZ-OG 3.33Å; K58-I112 HydrophobicContact CG-CG1 4.17Å
59S86.8Confident87.8Confident90 Ų9055.6 Ų55.663%0.62930%0.295SS*.Hα-helixtrans-108.9-11.4-172.166.40000114.8S55 V56S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 3.42Å; V56-S59 PolarHBondContact O-N 2.89Å; V56-S59 PolarHBondContact O-OG 2.89Å
60T85.9Confident87.5Confident20 Ų2055.3 Ų55.312%0.12329%0.291CS..  trans-90.7128.5-172.9-167.20000112.7V56 D62 V65 Y66 P115V56-T60 HydrophobicContact CG1-CG2 4.48Å; V56-T60 VanDerWaalsContact O-CB 3.25Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 WeakPolarHBondContact O-CG2 3.41Å; V56-T60 PolarHBondContact O-N 3.12Å; T60-D62 VanDerWaalsContact C-N 3.34Å; T60-D62 PolarHBondContact OG1-N 3.21Å; T60-V65 HydrophobicContact CG2-CB 4.35Å; T60-V65 HydrophobicContact CG2-CG1 4.09Å; T60-Y66 HydrophobicContact CG2-CD2 4.29Å; T60-P115 WeakPolarHBondContact O-CG 3.38Å
61D82.6Confident87.1Confident136 Ų13656.3 Ų56.373%0.72730%0.299SS*.  trans-90.1-2.5168.3-64-35.7000112.3H63 F116D61-H63 PolarHBondContact O-N 3.25Å; D61-F116 WeakPolarHBondContact O-CE1 3.48Å
62D83.7Confident87Confident82 Ų8258 Ų5844%0.43931%0.308SS..  trans-84.8112.9176.5-174.8-23.4000110.1T60 K64 V65 Y66T60-D62 VanDerWaalsContact C-N 3.34Å; T60-D62 PolarHBondContact OG1-N 3.21Å; D62-K64 VanDerWaalsContact C-N 3.28Å; D62-K64 PolarHBondContact O-N 3.46Å; D62-K64 WeakPolarHBondContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CB 3.19Å; D62-K64 PolarHBondContact OD1-N 2.97Å; D62-V65 HydrophobicContact CB-CB 3.95Å; D62-V65 HydrophobicContact CB-CG2 3.77Å; D62-V65 PolarHBondContact O-N 2.97Å; D62-V65 PolarHBondContact OD1-N 3.31Å; D62-Y66 WeakPolarHBondContact O-CB 3.49Å; D62-Y66 PolarHBondContact O-N 3.38Å
63H81.6Confident86.8Confident59 Ų5952.1 Ų52.127%0.27328%0.281SS..Hα-helixtrans-57.1-37.3178.3-171.990.3000113.8D61 L67 F116 L121D61-H63 PolarHBondContact O-N 3.25Å; H63-L67 VanDerWaalsContact NE2-CD1 3.33Å; H63-L67 WeakPolarHBondContact NE2-CD1 3.31Å; H63-L67 WeakPolarHBondContact O-CB 3.4Å; H63-L67 WeakPolarHBondContact O-CG 3.47Å; H63-L67 PolarHBondContact O-N 2.89Å; H63-F116 HydrophobicContact CB-CE1 4.07Å; H63-F116 HydrophobicContact CB-CZ 4.14Å; H63-L121 WeakPolarHBondContact CE1-CD1 3.26Å; H63-L121 VanDerWaalsContact CE1-CG 3.41Å; H63-L121 WeakPolarHBondContact CE1-CG 3.35Å; H63-L121 WeakPolarHBondContact ND1-CD1 3.31Å
64K83.9Confident86.5Confident127 Ų12752.8 Ų52.855%0.55228%0.283SS*.Hα-helixtrans-70.8-42.4179.1-174.8-178.6178.5-1760110.5D62 N68D62-K64 VanDerWaalsContact C-N 3.28Å; D62-K64 PolarHBondContact O-N 3.46Å; D62-K64 WeakPolarHBondContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CB 3.19Å; D62-K64 PolarHBondContact OD1-N 2.97Å; K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.28Å; K64-N68 PolarHBondContact O-ND2 3.5Å
65V85.1Confident86.4Confident52 Ų5254 Ų5432%0.31529%0.29SS..Hα-helixtrans-61.6-48.5174.8176.50000109.6V56 T60 D62 L67 N68 S69V56-V65 HydrophobicContact CG1-CG1 3.58Å; T60-V65 HydrophobicContact CG2-CB 4.35Å; T60-V65 HydrophobicContact CG2-CG1 4.09Å; D62-V65 HydrophobicContact CB-CB 3.95Å; D62-V65 HydrophobicContact CB-CG2 3.77Å; D62-V65 PolarHBondContact O-N 2.97Å; D62-V65 PolarHBondContact OD1-N 3.31Å; V65-L67 PolarHBondContact O-N 2.7Å; V65-N68 PolarHBondContact O-N 3.32Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 3.11Å; V65-S69 PolarHBondContact O-OG 3.27Å
66Y85.1Confident86.2Confident11 Ų1151.5 Ų51.54%0.04327%0.271CS..Hα-helixtrans-57-49.3178-175.9-97.1000112.8M57 T60 D62 S69 I70 I112 F116 L121M57-Y66 HydrophobicContact CB-CD2 4.02Å; M57-Y66 HydrophobicContact CB-CE2 3.95Å; M57-Y66 HydrophobicContact CG-CD2 4.18Å; M57-Y66 HydrophobicContact CG-CE2 4.31Å; M57-Y66 WeakPolarHBondContact O-CD2 3.44Å; T60-Y66 HydrophobicContact CG2-CD2 4.29Å; D62-Y66 WeakPolarHBondContact O-CB 3.49Å; D62-Y66 PolarHBondContact O-N 3.38Å; Y66-S69 PolarHBondContact O-N 3.34Å; Y66-I70 HydrophobicContact CD1-CD1 3.66Å; Y66-I70 HydrophobicContact CD1-CG1 4.36Å; Y66-I70 HydrophobicContact CE1-CD1 3.13Å; Y66-I70 HydrophobicContact CE1-CG1 4.1Å; Y66-I70 WeakPolarHBondContact O-CG1 3.48Å; Y66-I70 PolarHBondContact O-N 3.02Å; Y66-I112 HydrophobicContact CE2-CG2 4.16Å; Y66-F116 HydrophobicContact CD1-CD2 4.41Å; Y66-F116 AromaticContact CD1-CE2 3.64Å; Y66-F116 HydrophobicContact CD1-CE2 3.64Å; Y66-F116 AromaticContact CD2-CE2 3.92Å; Y66-F116 HydrophobicContact CD2-CE2 3.92Å; Y66-F116 HydrophobicContact CE1-CE2 4.15Å; Y66-F116 HydrophobicContact CE2-CE2 4.43Å; Y66-F116 AromaticContact CG-CE2 3.51Å; Y66-F116 HydrophobicContact CG-CE2 3.51Å; Y66-F116 HydrophobicContact CG-CZ 4.14Å; Y66-L121 HydrophobicContact CD1-CD1 4.09Å; Y66-L121 HydrophobicContact CE1-CD1 4.17Å
67L82.7Confident86.1Confident20 Ų2051.4 Ų51.411%0.10527%0.27CS..Hα-helixtrans-64.3-40.8179.3-77.8-178.4000112.9L9 H63 V65 I70 A71 L121L9-L67 HydrophobicContact CD2-CD1 4.32Å; L9-L67 HydrophobicContact CD2-CD2 4.21Å; H63-L67 VanDerWaalsContact NE2-CD1 3.33Å; H63-L67 WeakPolarHBondContact NE2-CD1 3.31Å; H63-L67 WeakPolarHBondContact O-CB 3.4Å; H63-L67 WeakPolarHBondContact O-CG 3.47Å; H63-L67 PolarHBondContact O-N 2.89Å; V65-L67 PolarHBondContact O-N 2.7Å; L67-I70 PolarHBondContact O-N 3.5Å; L67-A71 PolarHBondContact O-N 3.01Å; L67-L121 HydrophobicContact CD2-CD2 3.75Å
68N86.2Confident86Confident81 Ų8153.7 Ų53.743%0.43328%0.28SS..Hα-helixtrans-64.1-43.6175.4-73.1-12.2000110.8K64 V65 I70 A71 E72K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.28Å; K64-N68 PolarHBondContact O-ND2 3.5Å; V65-N68 PolarHBondContact O-N 3.32Å; N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 3.09Å; N68-A71 WeakPolarHBondContact O-CB 3.47Å; N68-A71 PolarHBondContact O-N 3.29Å; N68-E72 PolarHBondContact O-N 3.47Å
69S89.4Confident86Confident9 Ų949.1 Ų49.16%0.06326%0.261CS..Hα-helixtrans-63.8-36.6176.9-61.40000112.6M57 V65 Y66 T73M57-S69 VanDerWaalsContact CG-CB 3.44Å; V65-S69 WeakPolarHBondContact O-CB 3.4Å; V65-S69 PolarHBondContact O-N 3.11Å; V65-S69 PolarHBondContact O-OG 3.27Å; Y66-S69 PolarHBondContact O-N 3.34Å; S69-T73 VanDerWaalsContact O-CB 3.24Å; S69-T73 WeakPolarHBondContact O-CB 3.32Å; S69-T73 PolarHBondContact O-N 2.87Å; S69-T73 PolarHBondContact O-OG1 2.88Å
70I86.2Confident86Confident57 Ų5744.9 Ų44.929%0.29223%0.231SC..Hα-helixtrans-60.8-50171.2-74.7178.4000110.5M57 Y66 L67 N68 E72 T73 E74M57-I70 HydrophobicContact SD-CB 4.26Å; M57-I70 HydrophobicContact SD-CG1 3.39Å; M57-I70 WeakPolarHBondContact SD-CG1 3.27Å; Y66-I70 HydrophobicContact CD1-CD1 3.66Å; Y66-I70 HydrophobicContact CD1-CG1 4.36Å; Y66-I70 HydrophobicContact CE1-CD1 3.13Å; Y66-I70 HydrophobicContact CE1-CG1 4.1Å; Y66-I70 WeakPolarHBondContact O-CG1 3.48Å; Y66-I70 PolarHBondContact O-N 3.02Å; L67-I70 PolarHBondContact O-N 3.5Å; N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 3.09Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 3.4Å; I70-T73 PolarHBondContact O-N 2.85Å; I70-E74 WeakPolarHBondContact O-CB 3.32Å; I70-E74 PolarHBondContact O-N 3.43Å
71A84.1Confident86Confident21 Ų2146.9 Ų46.917%0.17424%0.241CC..Hα-helixtrans-59.5-45.3-17700000111.6F14 I18 L67 N68 L75F14-A71 HydrophobicContact CE2-CB 3.81Å; F14-A71 HydrophobicContact CZ-CB 4.15Å; I18-A71 HydrophobicContact CD1-CB 4.38Å; L67-A71 PolarHBondContact O-N 3.01Å; N68-A71 WeakPolarHBondContact O-CB 3.47Å; N68-A71 PolarHBondContact O-N 3.29Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.22Å
72E89.2Confident86.1Confident103 Ų10341 Ų4148%0.48121%0.21SC..Hα-helixtrans-69.1-41.5178.2-70.7178.7-151.300112.2L53 N68 I70 E74 L75 I76L53-E72 HydrophobicContact CD1-CB 3.66Å; N68-E72 PolarHBondContact O-N 3.47Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 3.4Å; E72-E74 VanDerWaalsContact C-N 3.31Å; E72-E74 PolarHBondContact O-N 3.22Å; E72-L75 PolarHBondContact O-N 3.25Å; E72-I76 VanDerWaalsContact O-CG1 3.3Å; E72-I76 WeakPolarHBondContact O-CG1 3.21Å; E72-I76 PolarHBondContact O-N 2.93Å
73T89.4Confident86.1Confident3 Ų337.1 Ų37.12%0.01819%0.189CC..Hα-helixtrans-63.3-39.7178.8-56.20000111.3A50 L53 I54 M57 S69 I70 I76 V77 L109A50-T73 HydrophobicContact CB-CG2 4.41Å; L53-T73 VanDerWaalsContact CB-OG1 3.23Å; L53-T73 WeakPolarHBondContact CB-OG1 3.24Å; I54-T73 HydrophobicContact CD1-CG2 4.39Å; I54-T73 HydrophobicContact CG1-CG2 4.11Å; M57-T73 HydrophobicContact CE-CG2 4.04Å; M57-T73 WeakPolarHBondContact CE-OG1 3.27Å; S69-T73 VanDerWaalsContact O-CB 3.24Å; S69-T73 WeakPolarHBondContact O-CB 3.32Å; S69-T73 PolarHBondContact O-N 2.87Å; S69-T73 PolarHBondContact O-OG1 2.88Å; I70-T73 PolarHBondContact O-N 2.85Å; T73-I76 PolarHBondContact O-N 3.2Å; T73-V77 HydrophobicContact CG2-CG2 4.22Å; T73-V77 WeakPolarHBondContact O-CB 3.48Å; T73-V77 VanDerWaalsContact O-CG2 3.32Å; T73-V77 WeakPolarHBondContact O-CG2 3.35Å; T73-V77 PolarHBondContact O-N 3.33Å; T73-L109 HydrophobicContact CG2-CD2 3.94Å
74E87.5Confident86.2Confident27 Ų2735.9 Ų35.913%0.12619%0.185CC..Hα-helixtrans-58-49.5175.8-176.4-73.1143.700111.2I18 R22 I70 E72 I76 V77 F78 Y128I18-E74 WeakPolarHBondContact CD1-OE2 3.45Å; I18-E74 WeakPolarHBondContact CG2-OE2 3.03Å; R22-E74 IonicContact CZ-OE1 2.64Å; R22-E74 IonicContact NE-OE1 2.71Å; R22-E74 PolarHBondContact NE-OE1 3.25Å; R22-E74 IonicContact NH2-OE1 2.72Å; R22-E74 PolarHBondContact NH2-OE1 3.18Å; I70-E74 WeakPolarHBondContact O-CB 3.32Å; I70-E74 PolarHBondContact O-N 3.43Å; E72-E74 VanDerWaalsContact C-N 3.31Å; E72-E74 PolarHBondContact O-N 3.22Å; E74-I76 VanDerWaalsContact C-N 3.3Å; E74-I76 PolarHBondContact O-N 2.96Å; E74-V77 PolarHBondContact O-N 3.11Å; E74-F78 WeakPolarHBondContact O-CB 3.45Å; E74-F78 PolarHBondContact O-N 3.09Å; E74-Y128 WeakPolarHBondContact CG-OH 3.33Å
75L88.1Confident86Confident30 Ų3038.5 Ų38.516%0.15720%0.196CC..Hα-helixtrans-63.2-37.8-179.5-69.9177.8000112I18 D21 R22 I25 A71 E72 S79I18-L75 HydrophobicContact CD1-CD2 4.31Å; I18-L75 HydrophobicContact CD1-CG 4.3Å; D21-L75 HydrophobicContact CB-CD1 3.85Å; D21-L75 HydrophobicContact CB-CD2 3.53Å; D21-L75 HydrophobicContact CB-CG 4.37Å; R22-L75 HydrophobicContact CG-CD2 4.31Å; I25-L75 HydrophobicContact CD1-CB 3.65Å; I25-L75 HydrophobicContact CD1-CD1 4.45Å; I25-L75 HydrophobicContact CD1-CD2 3.65Å; I25-L75 HydrophobicContact CD1-CG 4.1Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.22Å; E72-L75 PolarHBondContact O-N 3.25Å; L75-S79 WeakPolarHBondContact O-CB 3.28Å; L75-S79 PolarHBondContact O-N 3Å; L75-S79 PolarHBondContact O-OG 3.01Å
76I87.9Confident85.6Confident18 Ų1837.8 Ų37.89%0.09219%0.193CC..Hα-helixtrans-67.8-47.1176.6-67.4165000111F46 T49 A50 L53 E72 T73 E74 F78 S79 L80F46-I76 HydrophobicContact CB-CG2 3.78Å; F46-I76 HydrophobicContact CG-CG2 4.29Å; F46-I76 VanDerWaalsContact O-CG2 3.24Å; F46-I76 WeakPolarHBondContact O-CG2 3.48Å; T49-I76 HydrophobicContact CG2-CD1 3.54Å; A50-I76 HydrophobicContact CB-CB 4.44Å; A50-I76 HydrophobicContact CB-CG2 3.79Å; L53-I76 HydrophobicContact CD1-CD1 3.63Å; E72-I76 VanDerWaalsContact O-CG1 3.3Å; E72-I76 WeakPolarHBondContact O-CG1 3.21Å; E72-I76 PolarHBondContact O-N 2.93Å; T73-I76 PolarHBondContact O-N 3.2Å; E74-I76 VanDerWaalsContact C-N 3.3Å; E74-I76 PolarHBondContact O-N 2.96Å; I76-F78 VanDerWaalsContact C-N 3.29Å; I76-F78 PolarHBondContact O-N 3.09Å; I76-S79 VanDerWaalsContact O-CB 3.32Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 3.12Å; I76-S79 VanDerWaalsContact O-N 3.12Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.4Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.48Å
77V87.6Confident84.7Confident30 Ų3037.3 Ų37.318%0.18219%0.192CC..Hα-helixtrans-62.2-39.7176.9170.30000110.8T73 E74 L80 N81 L102 L105 L109T73-V77 HydrophobicContact CG2-CG2 4.22Å; T73-V77 WeakPolarHBondContact O-CB 3.48Å; T73-V77 VanDerWaalsContact O-CG2 3.32Å; T73-V77 WeakPolarHBondContact O-CG2 3.35Å; T73-V77 PolarHBondContact O-N 3.33Å; E74-V77 PolarHBondContact O-N 3.11Å; V77-L80 PolarHBondContact O-N 3.09Å; V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 3.36Å; V77-N81 PolarHBondContact O-ND2 3.1Å; V77-L102 HydrophobicContact CG1-CD2 4.35Å; V77-L105 HydrophobicContact CG2-CD1 4.43Å; V77-L109 HydrophobicContact CG2-CD1 4.17Å
78F87.1Confident83.8Confident51 Ų5138.3 Ų38.322%0.22421%0.207CC..Hα-helixtrans-60.2-47172.2179-96.6000111.2R22 I25 E74 I76 L80 N81 V82R22-F78 HydrophobicContact CB-CD1 4.01Å; R22-F78 HydrophobicContact CB-CE1 3.64Å; R22-F78 HydrophobicContact CB-CE2 4.36Å; R22-F78 HydrophobicContact CB-CZ 3.84Å; R22-F78 HydrophobicContact CG-CB 4.49Å; R22-F78 HydrophobicContact CG-CD1 3.68Å; R22-F78 HydrophobicContact CG-CD2 3.97Å; R22-F78 HydrophobicContact CG-CE1 3.81Å; R22-F78 HydrophobicContact CG-CE2 4.08Å; R22-F78 HydrophobicContact CG-CG 3.77Å; R22-F78 HydrophobicContact CG-CZ 4.01Å; R22-F78 WeakPolarHBondContact O-CE1 3.34Å; I25-F78 HydrophobicContact CB-CD1 4.4Å; I25-F78 HydrophobicContact CB-CE1 4.49Å; I25-F78 HydrophobicContact CG2-CD1 3.85Å; I25-F78 HydrophobicContact CG2-CE1 4.12Å; E74-F78 WeakPolarHBondContact O-CB 3.45Å; E74-F78 PolarHBondContact O-N 3.09Å; I76-F78 VanDerWaalsContact C-N 3.29Å; I76-F78 PolarHBondContact O-N 3.09Å; F78-L80 PolarHBondContact O-N 3.01Å; F78-N81 PolarHBondContact O-N 3.39Å; F78-V82 HydrophobicContact CD1-CG2 4.14Å; F78-V82 HydrophobicContact CE1-CG2 3.66Å; F78-V82 HydrophobicContact CE2-CG2 4.24Å; F78-V82 HydrophobicContact CZ-CG2 3.72Å; F78-V82 WeakPolarHBondContact O-CG2 3.49Å; F78-V82 PolarHBondContact O-N 3.28Å
79S86Confident82.5Confident5 Ų538.6 Ų38.64%0.03522%0.221CC..Hα-helixtrans-56.5-49.8176.9-54.90000111.8I25 L75 I76 N81 V82 M83I25-S79 WeakPolarHBondContact CG2-OG 3.41Å; L75-S79 WeakPolarHBondContact O-CB 3.28Å; L75-S79 PolarHBondContact O-N 3Å; L75-S79 PolarHBondContact O-OG 3.01Å; I76-S79 VanDerWaalsContact O-CB 3.32Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 3.12Å; I76-S79 VanDerWaalsContact O-N 3.12Å; S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 3.42Å; S79-V82 PolarHBondContact O-N 3.24Å; S79-M83 VanDerWaalsContact O-CG 3.27Å; S79-M83 WeakPolarHBondContact O-CG 3.45Å; S79-M83 PolarHBondContact O-N 2.63Å
80L87.6Confident81.2Confident0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-61-38.8178.9-69.7170.2000111.8A43 F46 I76 V77 F78 M83 L84 L98 L102 L105A43-L80 WeakPolarHBondContact O-CD2 3.14Å; F46-L80 HydrophobicContact CB-CD1 4.44Å; F46-L80 HydrophobicContact CB-CD2 3.72Å; F46-L80 HydrophobicContact CB-CG 4.08Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.4Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.48Å; V77-L80 PolarHBondContact O-N 3.09Å; F78-L80 PolarHBondContact O-N 3.01Å; L80-M83 WeakPolarHBondContact O-CB 3.41Å; L80-M83 PolarHBondContact O-N 2.96Å; L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 PolarHBondContact O-N 3.17Å; L80-L98 HydrophobicContact CB-CD1 3.98Å; L80-L98 HydrophobicContact CD2-CD1 3.43Å; L80-L98 VanDerWaalsContact CD2-CD1 3.43Å; L80-L98 HydrophobicContact CG-CD1 4.26Å; L80-L102 HydrophobicContact CB-CD1 4.31Å; L80-L102 HydrophobicContact CB-CD2 3.61Å; L80-L102 HydrophobicContact CB-CG 4.05Å; L80-L102 HydrophobicContact CD1-CD2 4.26Å; L80-L105 HydrophobicContact CD1-CD1 3.53Å
81N85.3Confident80.2Confident63 Ų6346 Ų4634%0.33724%0.244SC..Hα-helixtrans-66.8-40.2174.4-81.7-54.5000112.8V77 F78 S79 M83 L84 K85V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 3.36Å; V77-N81 PolarHBondContact O-ND2 3.1Å; F78-N81 PolarHBondContact O-N 3.39Å; S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 3.42Å; N81-M83 VanDerWaalsContact C-N 3.33Å; N81-L84 PolarHBondContact O-N 2.9Å; N81-K85 WeakPolarHBondContact O-CG 3.34Å; N81-K85 PolarHBondContact O-N 3.29Å
82V84.9Confident79.1Confident12 Ų1249.3 Ų49.37%0.07326%0.258CS..Hα-helixtrans-64.4-42.2174.4177.50000110.1F26 V29 F78 S79 L84 K85 S86F26-V82 HydrophobicContact CD2-CB 4.5Å; F26-V82 HydrophobicContact CD2-CG1 3.55Å; F26-V82 HydrophobicContact CD2-CG2 4.02Å; F26-V82 HydrophobicContact CE2-CG1 3.87Å; V29-V82 HydrophobicContact CB-CB 4.49Å; V29-V82 HydrophobicContact CB-CG1 3.92Å; V29-V82 HydrophobicContact CG1-CB 4.14Å; V29-V82 HydrophobicContact CG1-CG1 3.59Å; F78-V82 HydrophobicContact CD1-CG2 4.14Å; F78-V82 HydrophobicContact CE1-CG2 3.66Å; F78-V82 HydrophobicContact CE2-CG2 4.24Å; F78-V82 HydrophobicContact CZ-CG2 3.72Å; F78-V82 WeakPolarHBondContact O-CG2 3.49Å; F78-V82 PolarHBondContact O-N 3.28Å; S79-V82 PolarHBondContact O-N 3.24Å; V82-L84 VanDerWaalsContact C-N 3.35Å; V82-L84 PolarHBondContact O-N 2.73Å; V82-K85 PolarHBondContact O-N 3.46Å; V82-S86 WeakPolarHBondContact O-CB 3.24Å; V82-S86 PolarHBondContact O-N 3.38Å; V82-S86 PolarHBondContact O-OG 3.38Å
83M83.8Confident77.7Confident0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-57.9-46.6174-71.1177.887.400111V29 F39 H42 A43 F46 S79 L80 N81 K85 S86 S87 L98V29-M83 HydrophobicContact CB-CG 4.42Å; V29-M83 HydrophobicContact CG1-CB 4.3Å; V29-M83 HydrophobicContact CG1-CG 3.46Å; V29-M83 VanDerWaalsContact CG1-CG 3.46Å; V29-M83 HydrophobicContact CG2-CG 4.05Å; F39-M83 HydrophobicContact CD1-CE 4Å; F39-M83 HydrophobicContact CD2-CE 3.62Å; F39-M83 HydrophobicContact CE1-CB 4.35Å; F39-M83 HydrophobicContact CE1-CE 4Å; F39-M83 HydrophobicContact CE2-CB 3.79Å; F39-M83 HydrophobicContact CE2-CE 3.64Å; F39-M83 HydrophobicContact CE2-CG 3.73Å; F39-M83 HydrophobicContact CG-CE 3.82Å; F39-M83 HydrophobicContact CZ-CB 3.48Å; F39-M83 VanDerWaalsContact CZ-CB 3.48Å; F39-M83 HydrophobicContact CZ-CE 3.84Å; F39-M83 HydrophobicContact CZ-CG 3.93Å; F39-M83 WeakPolarHBondContact CZ-O 3.37Å; F39-M83 WeakPolarHBondContact O-CE 3.49Å; H42-M83 HydrophobicContact CB-CE 4.34Å; A43-M83 HydrophobicContact CB-CE 3.71Å; A43-M83 HydrophobicContact CB-SD 4.32Å; F46-M83 HydrophobicContact CD2-SD 4.26Å; S79-M83 VanDerWaalsContact O-CG 3.27Å; S79-M83 WeakPolarHBondContact O-CG 3.45Å; S79-M83 PolarHBondContact O-N 2.63Å; L80-M83 WeakPolarHBondContact O-CB 3.41Å; L80-M83 PolarHBondContact O-N 2.96Å; N81-M83 VanDerWaalsContact C-N 3.33Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 PolarHBondContact O-N 2.9Å; M83-S86 WeakPolarHBondContact CA-OG 3.45Å; M83-S86 PolarHBondContact O-N 3.21Å; M83-S86 PolarHBondContact O-OG 3.4Å; M83-S87 WeakPolarHBondContact O-CB 3.4Å; M83-S87 PolarHBondContact O-N 3.12Å; M83-L98 HydrophobicContact CB-CD2 3.81Å
84L83.6Confident76.8Confident34 Ų3452 Ų5218%0.17828%0.275CS..Hα-helixtrans-62.6-34.5178.2-171.972.3000112.3L80 N81 V82 S87 E95 L98 F99 L102L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 PolarHBondContact O-N 3.17Å; N81-L84 PolarHBondContact O-N 2.9Å; V82-L84 VanDerWaalsContact C-N 3.35Å; V82-L84 PolarHBondContact O-N 2.73Å; L84-S87 PolarHBondContact O-OG 3.38Å; L84-E95 HydrophobicContact CD1-CB 4.37Å; L84-E95 HydrophobicContact CD1-CG 3.54Å; L84-L98 HydrophobicContact CB-CD2 3.77Å; L84-L98 HydrophobicContact CB-CG 4.2Å; L84-L98 HydrophobicContact CD1-CB 4.22Å; L84-L98 HydrophobicContact CD1-CD2 4.04Å; L84-L98 HydrophobicContact CD1-CG 4.04Å; L84-F99 HydrophobicContact CD1-CB 4.26Å; L84-F99 HydrophobicContact CD2-CD2 4.14Å; L84-L102 HydrophobicContact CB-CD1 4.16Å; L84-L102 HydrophobicContact CD2-CD1 3.86Å
85K80.1Confident76.2Confident181 Ų18154.3 Ų54.379%0.78729%0.286SS*.Hα-helixtrans-75.8-33.7176.1-71.1178.5-179-178.10112.7N81 V82 M83N81-K85 WeakPolarHBondContact O-CG 3.34Å; N81-K85 PolarHBondContact O-N 3.29Å; V82-K85 PolarHBondContact O-N 3.46Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 PolarHBondContact O-N 2.9Å
86S75Confident75.8Confident37 Ų3760.3 Ų60.326%0.25931%0.311SS..Hα-helixtrans-83.8-16.2-179.768.10000113.4V82 M83 G88V82-S86 WeakPolarHBondContact O-CB 3.24Å; V82-S86 PolarHBondContact O-N 3.38Å; V82-S86 PolarHBondContact O-OG 3.38Å; M83-S86 WeakPolarHBondContact CA-OG 3.45Å; M83-S86 PolarHBondContact O-N 3.21Å; M83-S86 PolarHBondContact O-OG 3.4Å; S86-G88 PolarHBondContact O-N 2.84Å
87S66.4Low75.5Confident1 Ų163.3 Ų63.31%0.00733%0.325CS..  trans-60.3-32.6-175.454.70000113.3M83 L84 R90 H91M83-S87 WeakPolarHBondContact O-CB 3.4Å; M83-S87 PolarHBondContact O-N 3.12Å; L84-S87 PolarHBondContact O-OG 3.38Å; S87-R90 PolarHBondContact O-N 3.35Å; S87-H91 PolarHBondContact O-CD2 3.44Å; S87-H91 VanDerWaalsContact O-CD2 3.26Å; S87-H91 PolarHBondContact O-N 3.13Å
88G64Low75.3Confident42 Ų4262.1 Ų62.143%0.43332%0.317SS..G310 helixtrans44.2-153.7-178.100000113.2S86 R90S86-G88 PolarHBondContact O-N 2.84Å; G88-R90 PolarHBondContact O-N 3.23Å
89A59.5Low75.3Confident87 Ų8766 Ų6672%0.71933%0.334SS*.G310 helixtrans-71.8-12.9174.200000113.8H91 I92A89-H91 VanDerWaalsContact C-N 3.3Å; A89-H91 PolarHBondContact O-N 3.4Å; A89-I92 HydrophobicContact CB-CD1 4.48Å; A89-I92 WeakPolarHBondContact O-CD1 3.44Å; A89-I92 WeakPolarHBondContact O-CG1 3.39Å
90R61.8Low75.3Confident203 Ų20368.4 Ų68.477%0.76636%0.355SS*.G310 helixtrans-74-21.6-174.2-74.6-175.5-81.8-175.3-4.4113.1S87 G88S87-R90 PolarHBondContact O-N 3.35Å; G88-R90 PolarHBondContact O-N 3.23Å
91H65.5Low75.1Confident18 Ų1869.4 Ų69.48%0.08336%0.361CS..G310 helixtrans-132.834.1-173.9-51-73.6000113.3S36 S87 A89 L93 V94 E95S36-H91 VanDerWaalsContact CB-CE1 3.5Å; S36-H91 WeakPolarHBondContact CB-CE1 3.43Å; S87-H91 PolarHBondContact O-CD2 3.44Å; S87-H91 VanDerWaalsContact O-CD2 3.26Å; S87-H91 PolarHBondContact O-N 3.13Å; A89-H91 VanDerWaalsContact C-N 3.3Å; A89-H91 PolarHBondContact O-N 3.4Å; H91-L93 VanDerWaalsContact C-N 3.26Å; H91-L93 PolarHBondContact O-N 2.93Å; H91-L93 VanDerWaalsContact O-N 3.09Å; H91-V94 HydrophobicContact CB-CB 4.05Å; H91-V94 HydrophobicContact CB-CG2 4.17Å; H91-V94 CarbonylContact O-C 3.5Å; H91-V94 WeakPolarHBondContact O-CA 3.48Å; H91-V94 WeakPolarHBondContact O-CB 3.37Å; H91-V94 PolarHBondContact O-N 2.91Å; H91-E95 PolarHBondContact O-N 3.42Å
92I60.9Low75.1Confident91 Ų9167.2 Ų67.247%0.46735%0.35SS..Hα-helixtrans-49.3-40.6-175.7-65.4164.6000113.7A89 V94 E95 K96A89-I92 HydrophobicContact CB-CD1 4.48Å; A89-I92 WeakPolarHBondContact O-CD1 3.44Å; A89-I92 WeakPolarHBondContact O-CG1 3.39Å; I92-V94 VanDerWaalsContact C-N 3.35Å; I92-E95 WeakPolarHBondContact O-CB 3.34Å; I92-E95 PolarHBondContact O-N 2.65Å; I92-K96 PolarHBondContact O-N 3.42Å
93L60.7Low75.2Confident147 Ų14770.2 Ų70.277%0.7737%0.366SS*.Hα-helixtrans-66.9-37.5177.2-72.5175.5000112.2H91 E95 E97H91-L93 VanDerWaalsContact C-N 3.26Å; H91-L93 PolarHBondContact O-N 2.93Å; H91-L93 VanDerWaalsContact O-N 3.09Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E97 PolarHBondContact O-N 3.29Å
94V70.1Confident75.4Confident14 Ų1474.2 Ų74.29%0.08538%0.384CS..Hα-helixtrans-69.4-35.9173.5-172.60000109.9F39 K40 A43 H91 I92 K96 E97 L98F39-V94 HydrophobicContact CD1-CG1 4Å; F39-V94 HydrophobicContact CE1-CG1 3.86Å; K40-V94 HydrophobicContact CB-CG1 4.5Å; K40-V94 HydrophobicContact CB-CG2 3.95Å; K40-V94 HydrophobicContact CD-CG2 4.1Å; K40-V94 HydrophobicContact CG-CG1 4.45Å; K40-V94 HydrophobicContact CG-CG2 3.98Å; A43-V94 HydrophobicContact CB-CG1 4.44Å; H91-V94 HydrophobicContact CB-CB 4.05Å; H91-V94 HydrophobicContact CB-CG2 4.17Å; H91-V94 CarbonylContact O-C 3.5Å; H91-V94 WeakPolarHBondContact O-CA 3.48Å; H91-V94 WeakPolarHBondContact O-CB 3.37Å; H91-V94 PolarHBondContact O-N 2.91Å; I92-V94 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 2.96Å; V94-E97 PolarHBondContact O-N 3.33Å; V94-L98 WeakPolarHBondContact O-CB 3.3Å; V94-L98 PolarHBondContact O-N 3.01Å
95E74.4Confident75.6Confident76 Ų7672.6 Ų72.636%0.35538%0.376SS..Hα-helixtrans-59.7-46179.1-168-173170.500112L84 H91 I92 L93 L98 F99L84-E95 HydrophobicContact CD1-CB 4.37Å; L84-E95 HydrophobicContact CD1-CG 3.54Å; H91-E95 PolarHBondContact O-N 3.42Å; I92-E95 WeakPolarHBondContact O-CB 3.34Å; I92-E95 PolarHBondContact O-N 2.65Å; L93-E95 VanDerWaalsContact C-N 3.33Å; E95-L98 PolarHBondContact O-N 3.31Å; E95-F99 WeakPolarHBondContact O-CB 3.23Å; E95-F99 PolarHBondContact O-N 2.92Å
96K80.4Confident75.8Confident156 Ų15668 Ų6868%0.67836%0.359SS*.Hα-helixtrans-64-45.7177-71.4-171.8177.2-1760112.7I92 V94 L98 A100I92-K96 PolarHBondContact O-N 3.42Å; V94-K96 PolarHBondContact O-N 2.96Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.24Å; K96-A100 PolarHBondContact O-N 3.04Å
97E81.7Confident76.4Confident82 Ų8271.7 Ų71.738%0.38337%0.373SS..Hα-helixtrans-64.5-40.2178.4-172.8176.4178.700111.2K40 L93 V94 S101K40-E97 VanDerWaalsContact CE-OE2 3.27Å; K40-E97 WeakPolarHBondContact CE-OE2 3.44Å; K40-E97 IonicContact NZ-OE2 3.07Å; L93-E97 PolarHBondContact O-N 3.29Å; V94-E97 PolarHBondContact O-N 3.33Å; E97-S101 WeakPolarHBondContact O-CB 3.41Å; E97-S101 PolarHBondContact O-N 3.46Å; E97-S101 PolarHBondContact O-OG 3.2Å
98L83.4Confident77.3Confident4 Ų473 Ų732%0.02138%0.382CS..Hα-helixtrans-69.3-43.1177.9-179.456.8000111.8A43 L80 M83 L84 V94 E95 K96 S101 L102A43-L98 HydrophobicContact CB-CD1 4.31Å; L80-L98 HydrophobicContact CB-CD1 3.98Å; L80-L98 HydrophobicContact CD2-CD1 3.43Å; L80-L98 VanDerWaalsContact CD2-CD1 3.43Å; L80-L98 HydrophobicContact CG-CD1 4.26Å; M83-L98 HydrophobicContact CB-CD2 3.81Å; L84-L98 HydrophobicContact CB-CD2 3.77Å; L84-L98 HydrophobicContact CB-CG 4.2Å; L84-L98 HydrophobicContact CD1-CB 4.22Å; L84-L98 HydrophobicContact CD1-CD2 4.04Å; L84-L98 HydrophobicContact CD1-CG 4.04Å; V94-L98 WeakPolarHBondContact O-CB 3.3Å; V94-L98 PolarHBondContact O-N 3.01Å; E95-L98 PolarHBondContact O-N 3.31Å; K96-L98 VanDerWaalsContact C-N 3.33Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-L102 HydrophobicContact CD1-CD1 4.3Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CG-CD1 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.04Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 2.98Å
99F85.6Confident78.2Confident132 Ų13273.1 Ų73.158%0.57937%0.372SS*.Hα-helixtrans-61.6-46.1175.1-177.8-93.7000111.2L84 E95 S101 L102 N103L84-F99 HydrophobicContact CD1-CB 4.26Å; L84-F99 HydrophobicContact CD2-CD2 4.14Å; E95-F99 WeakPolarHBondContact O-CB 3.23Å; E95-F99 PolarHBondContact O-N 2.92Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 2.99Å; F99-L102 PolarHBondContact O-N 3.31Å; F99-N103 WeakPolarHBondContact O-CB 3.48Å; F99-N103 PolarHBondContact O-N 3.02Å
100A85.6Confident79.2Confident57 Ų5772.9 Ų72.947%0.47136%0.359SS..Hα-helixtrans-60.8-43.2175.500000111.7K96 N103 E104K96-A100 WeakPolarHBondContact O-CB 3.24Å; K96-A100 PolarHBondContact O-N 3.04Å; A100-N103 PolarHBondContact O-N 3.01Å; A100-E104 WeakPolarHBondContact O-CB 3.32Å; A100-E104 PolarHBondContact O-N 3.45Å
101S83.5Confident80.1Confident20 Ų2066.3 Ų66.314%0.1434%0.344CS..Hα-helixtrans-63.5-44.3177.3-59.80000111.9S47 E97 L98 F99 E104 L105S47-S101 WeakPolarHBondContact OG-CB 3.17Å; E97-S101 WeakPolarHBondContact O-CB 3.41Å; E97-S101 PolarHBondContact O-N 3.46Å; E97-S101 PolarHBondContact O-OG 3.2Å; L98-S101 PolarHBondContact O-N 3.01Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 2.99Å; S101-E104 PolarHBondContact O-N 2.97Å; S101-L105 WeakPolarHBondContact O-CB 3.25Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.44Å; S101-L105 PolarHBondContact O-N 3.21Å
102L86.6Confident80.8Confident17 Ų1766.4 Ų66.49%0.08935%0.345CS..Hα-helixtrans-62.2-42.2175.8-83.6166.9000111.9V77 L80 L84 L98 F99 L105 D106V77-L102 HydrophobicContact CG1-CD2 4.35Å; L80-L102 HydrophobicContact CB-CD1 4.31Å; L80-L102 HydrophobicContact CB-CD2 3.61Å; L80-L102 HydrophobicContact CB-CG 4.05Å; L80-L102 HydrophobicContact CD1-CD2 4.26Å; L84-L102 HydrophobicContact CB-CD1 4.16Å; L84-L102 HydrophobicContact CD2-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CD1 4.3Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CG-CD1 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.04Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 2.98Å; F99-L102 PolarHBondContact O-N 3.31Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.41Å
103N86.3Confident81.2Confident76 Ų7666.7 Ų66.741%0.40636%0.355SS..Hα-helixtrans-65.1-40.4176.8-176.570.6000111.9F99 A100 D106 Q107F99-N103 WeakPolarHBondContact O-CB 3.48Å; F99-N103 PolarHBondContact O-N 3.02Å; A100-N103 PolarHBondContact O-N 3.01Å; N103-D106 PolarHBondContact O-N 2.77Å; N103-Q107 PolarHBondContact ND2-NE2 3.49Å; N103-Q107 WeakPolarHBondContact O-CG 3.28Å; N103-Q107 PolarHBondContact O-N 3.43Å
104E88.3Confident81.4Confident83 Ų8361.1 Ų61.139%0.38833%0.328SS..Hα-helixtrans-64.8-39.4173.9-171.3-17216000111.9K51 A100 S101 S108K51-E104 VanDerWaalsContact CE-CD 3.45Å; K51-E104 VanDerWaalsContact CE-OE1 3.24Å; K51-E104 WeakPolarHBondContact CE-OE1 3.43Å; K51-E104 WeakPolarHBondContact CE-OE2 3.41Å; K51-E104 IonicContact NZ-OE1 2.73Å; K51-E104 PolarHBondContact NZ-OE1 3.05Å; K51-E104 IonicContact NZ-OE2 2.63Å; K51-E104 PolarHBondContact NZ-OE2 2.82Å; A100-E104 WeakPolarHBondContact O-CB 3.32Å; A100-E104 PolarHBondContact O-N 3.45Å; S101-E104 PolarHBondContact O-N 2.97Å; E104-S108 VanDerWaalsContact O-CB 3.27Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.89Å; E104-S108 PolarHBondContact O-OG 3.22Å
105L88.2Confident80.9Confident1 Ų162.5 Ų62.51%0.00534%0.337CS..Hα-helixtrans-65-42.9175.2-73175000111.7A50 K51 I54 V77 L80 S101 L102 S108 L109A50-L105 HydrophobicContact CB-CD1 3.78Å; A50-L105 HydrophobicContact CB-CD2 3.52Å; A50-L105 HydrophobicContact CB-CG 4.32Å; K51-L105 HydrophobicContact CG-CD2 3.75Å; I54-L105 HydrophobicContact CD1-CD2 3.66Å; V77-L105 HydrophobicContact CG2-CD1 4.43Å; L80-L105 HydrophobicContact CD1-CD1 3.53Å; S101-L105 WeakPolarHBondContact O-CB 3.25Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.44Å; S101-L105 PolarHBondContact O-N 3.21Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-S108 PolarHBondContact O-N 3.28Å; L105-L109 WeakPolarHBondContact O-CB 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 2.83Å
106D84.7Confident80.1Confident83 Ų8360.7 Ų60.744%0.44433%0.328SS..Hα-helixtrans-59.9-48.2175.9-18070.8000111.3L102 N103 S108 L109 N110L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.41Å; N103-D106 PolarHBondContact O-N 2.77Å; D106-S108 VanDerWaalsContact C-N 3.3Å; D106-S108 PolarHBondContact O-N 3.38Å; D106-L109 PolarHBondContact O-N 3.36Å; D106-N110 WeakPolarHBondContact O-CB 3.16Å; D106-N110 VanDerWaalsContact O-CG 3.3Å; D106-N110 PolarHBondContact O-N 2.92Å; D106-N110 PolarHBondContact O-ND2 3.27Å; D106-N110 VanDerWaalsContact O-ND2 3.11Å; D106-N110 PolarHBondContact OD1-ND2 3.47Å; D106-N110 PolarHBondContact OD2-ND2 2.9Å
107Q86.4Confident79Confident116 Ų11661.4 Ų61.454%0.54234%0.339SS..Hα-helixtrans-59.3-42.3174.3-70177.4500111.9N103 N110 S111N103-Q107 PolarHBondContact ND2-NE2 3.49Å; N103-Q107 WeakPolarHBondContact O-CG 3.28Å; N103-Q107 PolarHBondContact O-N 3.43Å; Q107-N110 PolarHBondContact O-N 3.36Å; Q107-S111 WeakPolarHBondContact O-CB 3.35Å; Q107-S111 PolarHBondContact O-N 3.41Å
108S85.8Confident77.9Confident27 Ų2761.5 Ų61.519%0.18934%0.343CS..Hα-helixtrans-65.3-41.1179.2-64.10000112.1E104 L105 D106 S111E104-S108 VanDerWaalsContact O-CB 3.27Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.89Å; E104-S108 PolarHBondContact O-OG 3.22Å; L105-S108 PolarHBondContact O-N 3.28Å; D106-S108 VanDerWaalsContact C-N 3.3Å; D106-S108 PolarHBondContact O-N 3.38Å; S108-S111 PolarHBondContact O-N 3.36Å; S108-S111 PolarHBondContact O-OG 3.44Å
109L83.7Confident76.8Confident45 Ų4565.6 Ų65.624%0.23637%0.368CS..Hα-helixtrans-65.8-41.4174.1-77167.4000111.9I54 M57 T73 V77 L105 D106 S111 I112I54-L109 HydrophobicContact CD1-CD2 4.07Å; I54-L109 HydrophobicContact CD1-CG 3.82Å; I54-L109 HydrophobicContact CG1-CD2 3.91Å; I54-L109 HydrophobicContact CG1-CG 4.23Å; M57-L109 HydrophobicContact CE-CD2 3.97Å; T73-L109 HydrophobicContact CG2-CD2 3.94Å; V77-L109 HydrophobicContact CG2-CD1 4.17Å; L105-L109 WeakPolarHBondContact O-CB 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 2.83Å; D106-L109 PolarHBondContact O-N 3.36Å; L109-S111 PolarHBondContact O-N 3.13Å; L109-I112 HydrophobicContact CD2-CD1 3.89Å; L109-I112 WeakPolarHBondContact O-CB 3.41Å; L109-I112 WeakPolarHBondContact O-CG1 3.49Å; L109-I112 PolarHBondContact O-N 3.32Å; L109-I112 VanDerWaalsContact O-N 3.14Å
110N79.7Confident75.7Confident82 Ų8263.3 Ų63.344%0.43937%0.365SS..Hα-helixtrans-66.9-26.1177.5-74.7-36.7000112.7D106 Q107 I112 R129D106-N110 WeakPolarHBondContact O-CB 3.16Å; D106-N110 VanDerWaalsContact O-CG 3.3Å; D106-N110 PolarHBondContact O-N 2.92Å; D106-N110 PolarHBondContact O-ND2 3.27Å; D106-N110 VanDerWaalsContact O-ND2 3.11Å; D106-N110 PolarHBondContact OD1-ND2 3.47Å; D106-N110 PolarHBondContact OD2-ND2 2.9Å; Q107-N110 PolarHBondContact O-N 3.36Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-R129 PolarHBondContact OD1-NH2 3.34Å
111S80.8Confident74.2Confident65 Ų6561.3 Ų61.346%0.45535%0.346SS..THydrogen-bonded Turntrans-81-4.4174.174.20000114.8K58 Q107 S108 L109 S113K58-S111 WeakPolarHBondContact CE-OG 3.21Å; K58-S111 PolarHBondContact NZ-OG 3.33Å; Q107-S111 WeakPolarHBondContact O-CB 3.35Å; Q107-S111 PolarHBondContact O-N 3.41Å; S108-S111 PolarHBondContact O-N 3.36Å; S108-S111 PolarHBondContact O-OG 3.44Å; L109-S111 PolarHBondContact O-N 3.13Å; S111-S113 PolarHBondContact O-N 2.9Å; S111-S113 VanDerWaalsContact O-N 3.11Å
112I79.4Confident73Confident21 Ų2168 Ų6811%0.10837%0.368CS..  trans-72.6106.9174.9-57.6173.8000108.1I54 M57 K58 Y66 L109 N110 P114I54-I112 HydrophobicContact CG2-CD1 4.01Å; I54-I112 HydrophobicContact CG2-CG1 4.14Å; M57-I112 HydrophobicContact CB-CD1 4.07Å; M57-I112 HydrophobicContact CE-CD1 3.64Å; M57-I112 HydrophobicContact SD-CD1 4.05Å; K58-I112 HydrophobicContact CG-CG1 4.17Å; Y66-I112 HydrophobicContact CE2-CG2 4.16Å; L109-I112 HydrophobicContact CD2-CD1 3.89Å; L109-I112 WeakPolarHBondContact O-CB 3.41Å; L109-I112 WeakPolarHBondContact O-CG1 3.49Å; L109-I112 PolarHBondContact O-N 3.32Å; L109-I112 VanDerWaalsContact O-N 3.14Å; N110-I112 VanDerWaalsContact C-N 3.32Å; I112-P114 WeakPolarHBondContact O-CD 3.49Å
113S71Confident71.9Confident96 Ų9672.7 Ų72.767%0.67139%0.39SS*.  trans-81.1117.7154.1-1750000106.6S111S111-S113 PolarHBondContact O-N 2.9Å; S111-S113 VanDerWaalsContact O-N 3.11Å
114P63.4Low70.6Confident30 Ų3071.8 Ų71.820%0.19538%0.384CS..  trans-51.9131.4173.1-22.531.7000108.8I112 F116I112-P114 WeakPolarHBondContact O-CD 3.49Å; P114-F116 HydrophobicContact CB-CD2 4.42Å; P114-F116 PolarHBondContact O-N 3.23Å; P114-F116 VanDerWaalsContact O-N 3.13Å
115P60.7Low69.1Low44 Ų4469.8 Ų69.829%0.28638%0.38SS..SBendtrans-67.9-11.8-18023.1-28.1000112T60 N117T60-P115 WeakPolarHBondContact O-CG 3.38Å; P115-N117 PolarHBondContact O-N 3.19Å
116F57.8Low67.7Low37 Ų3773.3 Ų73.316%0.16240%0.398CS..  trans-83.3117.1179-44.7-75.4000110.7D61 H63 Y66 P114 D118 L121D61-F116 WeakPolarHBondContact O-CE1 3.48Å; H63-F116 HydrophobicContact CB-CE1 4.07Å; H63-F116 HydrophobicContact CB-CZ 4.14Å; Y66-F116 HydrophobicContact CD1-CD2 4.41Å; Y66-F116 AromaticContact CD1-CE2 3.64Å; Y66-F116 HydrophobicContact CD1-CE2 3.64Å; Y66-F116 AromaticContact CD2-CE2 3.92Å; Y66-F116 HydrophobicContact CD2-CE2 3.92Å; Y66-F116 HydrophobicContact CE1-CE2 4.15Å; Y66-F116 HydrophobicContact CE2-CE2 4.43Å; Y66-F116 AromaticContact CG-CE2 3.51Å; Y66-F116 HydrophobicContact CG-CE2 3.51Å; Y66-F116 HydrophobicContact CG-CZ 4.14Å; P114-F116 HydrophobicContact CB-CD2 4.42Å; P114-F116 PolarHBondContact O-N 3.23Å; P114-F116 VanDerWaalsContact O-N 3.13Å; F116-D118 HydrophobicContact CB-CB 4.13Å; F116-D118 PolarHBondContact O-N 2.96Å; F116-L121 HydrophobicContact CD2-CD1 3.38Å; F116-L121 HydrophobicContact CE2-CD1 3.74Å; F116-L121 HydrophobicContact CG-CD1 4.04Å
117N56.1Low66.7Low171 Ų17174.1 Ų74.191%0.91440%0.399SS*.  trans-59-10.1160.5-75.2-18.5000112.8P115 T119P115-N117 PolarHBondContact O-N 3.19Å; N117-T119 PolarHBondContact O-N 3.48Å
118D58.3Low65.1Low85 Ų8572.2 Ų72.246%0.45539%0.387SS..  trans-71.8114.9-177.8-163.6-35.2000110.9F116 T120F116-D118 HydrophobicContact CB-CB 4.13Å; F116-D118 PolarHBondContact O-N 2.96Å; D118-T120 PolarHBondContact O-N 3.06Å; D118-T120 VanDerWaalsContact O-N 3.11Å; D118-T120 PolarHBondContact OD1-N 3.04Å; D118-T120 PolarHBondContact OD1-OG1 3.18Å
119T62Low63.6Low90 Ų9077.2 Ų77.255%0.55240%0.402SS*.Hα-helixtrans-58-26.2-175.4510000113N117 L121 R122 E123N117-T119 PolarHBondContact O-N 3.48Å; T119-L121 PolarHBondContact O-N 3.25Å; T119-R122 CarbonylContact O-C 3.59Å; T119-R122 PolarHBondContact O-N 3.31Å; T119-E123 VanDerWaalsContact O-CB 3.26Å; T119-E123 WeakPolarHBondContact O-CB 3.14Å; T119-E123 PolarHBondContact O-N 3.31Å
120T61.4Low62.3Low84 Ų8478.4 Ų78.452%0.51541%0.409SS..Hα-helixtrans-65.1-41.6-173.1-43.50000112.9D118 E123 L124D118-T120 PolarHBondContact O-N 3.06Å; D118-T120 VanDerWaalsContact O-N 3.11Å; D118-T120 PolarHBondContact OD1-N 3.04Å; D118-T120 PolarHBondContact OD1-OG1 3.18Å; T120-E123 PolarHBondContact O-N 2.99Å; T120-L124 WeakPolarHBondContact O-CG 3.34Å; T120-L124 PolarHBondContact O-N 3.31Å
121L54.8Low61.1Low15 Ų1579.6 Ų79.68%0.07941%0.41CS..Hα-helixtrans-75.4-35.3176.3-79.4-177.6000112.3H63 Y66 L67 F116 T119 E123 L124 S125H63-L121 WeakPolarHBondContact CE1-CD1 3.26Å; H63-L121 VanDerWaalsContact CE1-CG 3.41Å; H63-L121 WeakPolarHBondContact CE1-CG 3.35Å; H63-L121 WeakPolarHBondContact ND1-CD1 3.31Å; Y66-L121 HydrophobicContact CD1-CD1 4.09Å; Y66-L121 HydrophobicContact CE1-CD1 4.17Å; L67-L121 HydrophobicContact CD2-CD2 3.75Å; F116-L121 HydrophobicContact CD2-CD1 3.38Å; F116-L121 HydrophobicContact CE2-CD1 3.74Å; F116-L121 HydrophobicContact CG-CD1 4.04Å; T119-L121 PolarHBondContact O-N 3.25Å; L121-E123 PolarHBondContact O-N 3.44Å; L121-L124 HydrophobicContact CD2-CD1 4.31Å; L121-L124 PolarHBondContact O-N 2.86Å; L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 2.96Å; L121-S125 PolarHBondContact O-OG 3.37Å
122R57.7Low59.7Low161 Ų16181.5 Ų81.561%0.60842%0.415SS*.Hα-helixtrans-60.1-39171.2-175174.6179.7-113.90.5110.4T119 S125 I126T119-R122 CarbonylContact O-C 3.59Å; T119-R122 PolarHBondContact O-N 3.31Å; R122-S125 PolarHBondContact O-OG 3.21Å; R122-I126 HydrophobicContact CG-CD1 4.08Å; R122-I126 WeakPolarHBondContact O-CB 3.47Å; R122-I126 WeakPolarHBondContact O-CD1 3.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.41Å; R122-I126 PolarHBondContact O-N 2.88Å
123E63.6Low58.2Low115 Ų11587.2 Ų87.254%0.53744%0.441SS..Hα-helixtrans-69.1-45.3176.4-160.5111.8-146.700111.4T119 T120 L121 S125 I126 Q127T119-E123 VanDerWaalsContact O-CB 3.26Å; T119-E123 WeakPolarHBondContact O-CB 3.14Å; T119-E123 PolarHBondContact O-N 3.31Å; T120-E123 PolarHBondContact O-N 2.99Å; L121-E123 PolarHBondContact O-N 3.44Å; E123-S125 PolarHBondContact O-N 2.96Å; E123-I126 PolarHBondContact O-N 3.02Å; E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.33Å
124L59.7Low56.8Low56 Ų5688.5 Ų88.529%0.29344%0.437SS..Hα-helixtrans-64.2-38.5176.2-75.2171.8000112.4T120 L121 Q127 Y128T120-L124 WeakPolarHBondContact O-CG 3.34Å; T120-L124 PolarHBondContact O-N 3.31Å; L121-L124 HydrophobicContact CD2-CD1 4.31Å; L121-L124 PolarHBondContact O-N 2.86Å; L124-Q127 PolarHBondContact O-N 3.44Å; L124-Y128 WeakPolarHBondContact O-CB 3.27Å; L124-Y128 PolarHBondContact O-N 3.03Å
125S55.5Low55.8Low42 Ų4293.5 Ų93.529%0.29446%0.461SS..Hα-helixtrans-68.5-38.917769.80000111.8L121 R122 E123 R129L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 2.96Å; L121-S125 PolarHBondContact O-OG 3.37Å; R122-S125 PolarHBondContact O-OG 3.21Å; E123-S125 PolarHBondContact O-N 2.96Å; S125-R129 WeakPolarHBondContact O-CG 3.36Å; S125-R129 PolarHBondContact O-N 3.25Å; S125-R129 VanDerWaalsContact O-N 3.1Å
126I59.2Low54.9Low75 Ų7596.7 Ų96.739%0.38549%0.485SS..Hα-helixtrans-63.9-47171.4-68.9165.3000110.6R122 E123 Y128 R129 N130R122-I126 HydrophobicContact CG-CD1 4.08Å; R122-I126 WeakPolarHBondContact O-CB 3.47Å; R122-I126 WeakPolarHBondContact O-CD1 3.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.41Å; R122-I126 PolarHBondContact O-N 2.88Å; E123-I126 PolarHBondContact O-N 3.02Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; I126-Y128 PolarHBondContact O-N 2.97Å; I126-R129 PolarHBondContact O-N 3.21Å; I126-N130 WeakPolarHBondContact O-CB 3.48Å; I126-N130 VanDerWaalsContact O-CG 3.24Å; I126-N130 PolarHBondContact O-N 3.01Å; I126-N130 PolarHBondContact O-OD1 3.45Å
127Q63.9Low53.7Low100 Ų10098 Ų9847%0.46750%0.499SS..Hα-helixtrans-61.9-38178.5-76.3-177.922.500112.6E123 L124 K131E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.33Å; L124-Q127 PolarHBondContact O-N 3.44Å; Q127-K131 WeakPolarHBondContact O-CB 3.36Å; Q127-K131 PolarHBondContact O-N 3.38Å
128Y52.3Low52.7Low75 Ų7597.7 Ų97.729%0.29449%0.492SS..Hα-helixtrans-65.1-47.3176.1-168.9-90.6000111.1L15 R22 E74 L124 I126 N130 K131L15-Y128 HydrophobicContact CD2-CD2 4.49Å; L15-Y128 HydrophobicContact CD2-CE2 4.13Å; R22-Y128 PolarHBondContact NH2-OH 3.11Å; E74-Y128 WeakPolarHBondContact CG-OH 3.33Å; L124-Y128 WeakPolarHBondContact O-CB 3.27Å; L124-Y128 PolarHBondContact O-N 3.03Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; I126-Y128 PolarHBondContact O-N 2.97Å; Y128-N130 VanDerWaalsContact C-N 3.34Å; Y128-N130 PolarHBondContact O-N 3.33Å; Y128-K131 PolarHBondContact O-N 3.16Å
129R54.1Low51.4Low133 Ų133102 Ų10250%0.50251%0.509SS..Hα-helixtrans-61.5-38.8175.9-73.2-176.4-179.3-179.82.3112.8N110 S125 I126N110-R129 PolarHBondContact OD1-NH2 3.34Å; S125-R129 WeakPolarHBondContact O-CG 3.36Å; S125-R129 PolarHBondContact O-N 3.25Å; S125-R129 VanDerWaalsContact O-N 3.1Å; I126-R129 PolarHBondContact O-N 3.21Å
130N57Low50.1Low70 Ų70104.8 Ų104.837%0.37452%0.521SS..Hα-helixtrans-74.3-30.4179.8-67.7-6.7000112.6I126 Y128 D132 Q133 H134I126-N130 WeakPolarHBondContact O-CB 3.48Å; I126-N130 VanDerWaalsContact O-CG 3.24Å; I126-N130 PolarHBondContact O-N 3.01Å; I126-N130 PolarHBondContact O-OD1 3.45Å; Y128-N130 VanDerWaalsContact C-N 3.34Å; Y128-N130 PolarHBondContact O-N 3.33Å; N130-D132 VanDerWaalsContact C-N 3.27Å; N130-D132 PolarHBondContact O-N 3Å; N130-Q133 WeakPolarHBondContact O-CA 3.32Å; N130-Q133 WeakPolarHBondContact O-CB 3.47Å; N130-Q133 PolarHBondContact O-N 3.07Å; N130-H134 PolarHBondContact O-CD2 3.45Å; N130-H134 PolarHBondContact O-N 2.78Å; N130-H134 VanDerWaalsContact O-N 3.09Å
131K54.5Low49Very low107 Ų107106.8 Ų106.847%0.46554%0.535SS..Hα-helixtrans-64.5-31.6175.9-89.6-175.6175.4175.50112.9Q127 Y128 Q133 H134 N135Q127-K131 WeakPolarHBondContact O-CB 3.36Å; Q127-K131 PolarHBondContact O-N 3.38Å; Y128-K131 PolarHBondContact O-N 3.16Å; K131-Q133 PolarHBondContact O-N 3.48Å; K131-H134 PolarHBondContact O-N 3.47Å; K131-H134 VanDerWaalsContact O-N 3.09Å; K131-N135 PolarHBondContact O-N 2.91Å; K131-N135 PolarHBondContact O-ND2 3.11Å
132D51.3Low48Very low105 Ų105108 Ų10856%0.56155%0.551SS**Hα-helixtrans-67.5-22.6172.8-72.9-24.9000112.3N130N130-D132 VanDerWaalsContact C-N 3.27Å; N130-D132 PolarHBondContact O-N 3Å
133Q47.8Very low47.1Very low140 Ų140106.3 Ų106.365%0.65456%0.561SS**Hα-helixtrans-82.5-23.8168.5-69.5-175.3-10.700113.7N130 K131 S136N130-Q133 WeakPolarHBondContact O-CA 3.32Å; N130-Q133 WeakPolarHBondContact O-CB 3.47Å; N130-Q133 PolarHBondContact O-N 3.07Å; K131-Q133 PolarHBondContact O-N 3.48Å; Q133-S136 PolarHBondContact O-OG 2.71Å
134H41.2Very low45.8Very low124 Ų124107 Ų10757%0.57457%0.573SS**Hα-helixtrans-94.7-11.6-178.7-70.8-60.3000114.9N130 K131 S136 S137N130-H134 PolarHBondContact O-CD2 3.45Å; N130-H134 PolarHBondContact O-N 2.78Å; N130-H134 VanDerWaalsContact O-N 3.09Å; K131-H134 PolarHBondContact O-N 3.47Å; K131-H134 VanDerWaalsContact O-N 3.09Å; H134-S136 PolarHBondContact O-N 2.89Å; H134-S136 VanDerWaalsContact O-N 3.12Å; H134-S137 PolarHBondContact O-N 3.44Å; H134-S137 VanDerWaalsContact O-N 3.09Å
135N42.8Very low44.4Very low134 Ų134115.6 Ų115.672%0.71760%0.601SS**THydrogen-bonded Turntrans-72.34.9171.1-73-30.6000113.8K131K131-N135 PolarHBondContact O-N 2.91Å; K131-N135 PolarHBondContact O-ND2 3.11Å
136S42.8Very low43.4Very low111 Ų111120.6 Ų120.678%0.77662%0.624SS**THydrogen-bonded Turntrans-90.84.8164.8510000113.8Q133 H134Q133-S136 PolarHBondContact O-OG 2.71Å; H134-S136 PolarHBondContact O-N 2.89Å; H134-S136 VanDerWaalsContact O-N 3.12Å
137S32.4Very low41.9Very low66 Ų66121.8 Ų121.846%0.46264%0.638SS.*SBendtrans-136.6120.1-176.8-1680000112.6H134H134-S137 PolarHBondContact O-N 3.44Å; H134-S137 VanDerWaalsContact O-N 3.09Å
138E34.8Very low40.2Very low163 Ų163127.7 Ų127.776%0.76266%0.658SS**  trans82.5102.5148.8-69168175.600120.5
139Q31Very low39.3Very low177 Ų177131.5 Ų131.583%0.82768%0.683SS**  56.6102.5116.7-66.5-178-11.800118.8
140D34Very low38.2Very low147 Ų147132 Ų13279%0.78670%0.696SS**  trans24.695.4135.9-160.917.2000118.6
141P39Very low36.8Very low126 Ų126135.3 Ų135.382%0.81871%0.714SS**  trans-87105.315230.9-21.2000108.1
142G34Very low35.7Very low40 Ų40137.2 Ų137.241%0.41273%0.729SS.*  trans-52.9179.6-179.600000116.7V144G142-V144 PolarHBondContact O-N 2.91Å
143P38.2Very low34.8Very low127 Ų127138.7 Ų138.783%0.82574%0.742SS**  trans-74.1115.3-154.626.7-32.7000112.4R145P143-R145 PolarHBondContact O-N 3Å
144V36.1Very low33.8Very low130 Ų130140.6 Ų140.679%0.78875%0.751SS**  trans-72.896.6174.1-179.40000109.1G142 I146G142-V144 PolarHBondContact O-N 2.91Å; V144-I146 HydrophobicContact CG1-CD1 4.27Å; V144-I146 HydrophobicContact CG1-CG1 4.04Å
145R30.8Very low33.3Very low235 Ų235139.5 Ų139.589%0.88776%0.757SS**  trans-63.4125.7164.6-71.5177167.7-172.1-4.5109.3P143P143-R145 PolarHBondContact O-N 3Å
146I35Very low32.7Very low148 Ų148140 Ų14076%0.75976%0.758SS**  trans-128.2106.7158.8-52.2-177.9000108.7V144V144-I146 HydrophobicContact CG1-CD1 4.27Å; V144-I146 HydrophobicContact CG1-CG1 4.04Å
147S27.3Very low31.9Very low99 Ų99140.5 Ų140.569%0.69276%0.756SS**  trans1.8117.9171.458.80000120.9
148Y26.8Very low31.8Very low225 Ų225143.5 Ų143.588%0.88277%0.772SS**  trans-72.2142.1133-70.5-95.4000110
149D33.9Very low31.8Very low155 Ų155143 Ų14383%0.82978%0.775SS**  trans-12391.6156.5-99.4-17.8000108.2
150N30.7Very low32.3Very low144 Ų144139.8 Ų139.877%0.7777%0.769SS**SBend165109.2129.2-88.6-22.1000110.2
151N28.9Very low32.1Very low138 Ų138138.8 Ų138.874%0.73876%0.764SS**  trans32.2128.6142.6-60.5-17.6000120.9
152D30.1Very low31.9Very low147 Ų147138.6 Ų138.679%0.78676%0.76SS**  trans65.5107.4156.3-49.6-29.7000115.1
153T32.2Very low32Very low136 Ų136144.1 Ų144.183%0.83478%0.775SS**  -171139.765.6-49.20000108.6
154E27.7Very low31.9Very low181 Ų181144.6 Ų144.685%0.84677%0.771SS**  trans-45.1144.3168.8-62.2169.2132.100113.2
155S31.2Very low31.8Very low100 Ų100143.6 Ų143.670%0.69977%0.768SS**  165.199.4123.11720000113
156I29.5Very low31.8Very low144 Ų144141.4 Ų141.474%0.73877%0.768SS**  56.499.4119.9-54.9157.4000115.8
157V27.3Very low31.7Very low123 Ų123140.5 Ų140.575%0.74577%0.77SS**  59.910988.5178.40000114.4
158T28.7Very low31.8Very low129 Ų129142.5 Ų142.579%0.79177%0.772SS**  trans153.4145.3135.828.40000108.7
159N34.9Very low32Very low152 Ų152136.9 Ų136.981%0.81377%0.765SS**  cis-167172.7-17.8-1385.6000104.5
160P41.5Very low31.9Very low109 Ų109139 Ų13971%0.70876%0.763SS**  trans-95.2174.9-157.439.8-38.8000114.9
161N29.5Very low32Very low126 Ų126139.6 Ų139.667%0.67477%0.767SS**  trans93.584.6155.2-144.530.7000116.8
162V35Very low32.1Very low123 Ų123140.3 Ų140.375%0.74577%0.77SS**  trans-125.6100.5145.3-166.50000106.7D164V162-D164 VanDerWaalsContact C-N 3.26Å; V162-D164 PolarHBondContact O-N 3.02Å
163E37Very low32.5Very low156 Ų156140.1 Ų140.173%0.72977%0.769SS**  trans-62.691.4159.2-76.6164.4136.900107.7C165E163-C165 VanDerWaalsContact C-N 3.32Å; E163-C165 PolarHBondContact O-N 2.92Å
164D36.1Very low32.6Very low136 Ų136140.9 Ų140.973%0.72777%0.768SS**  trans-74.492167.5-84.6-25.2000108.8V162 Q166V162-D164 VanDerWaalsContact C-N 3.26Å; V162-D164 PolarHBondContact O-N 3.02Å; D164-Q166 PolarHBondContact O-N 2.83Å
165C33.7Very low32.9Very low110 Ų110139.9 Ų139.974%0.74377%0.769SS**  trans-54.896166.4-74.60000110.9E163 T167E163-C165 VanDerWaalsContact C-N 3.32Å; E163-C165 PolarHBondContact O-N 2.92Å; C165-T167 PolarHBondContact O-N 2.76Å
166Q31.1Very low33.1Very low189 Ų189142.2 Ų142.288%0.88377%0.773SS**  trans-74.7100.2161.4-72.3-177.15.200108.8D164D164-Q166 PolarHBondContact O-N 2.83Å
167T32.3Very low33.5Very low129 Ų129142.2 Ų142.279%0.79178%0.78SS**  trans-86.5117.7170.8-510000108.8C165 S169C165-T167 PolarHBondContact O-N 2.76Å; T167-S169 PolarHBondContact O-N 2.78Å
168L30Very low33.9Very low140 Ų140141.5 Ų141.573%0.73378%0.776SS**  trans-75.2108.1171.5-68166.9000108.8Y170L168-Y170 HydrophobicContact CB-CE2 4.45Å
169S30.8Very low34.2Very low107 Ų107144.1 Ų144.175%0.74878%0.781SS**  trans-88126.7169.2-173.20000109.7T167T167-S169 PolarHBondContact O-N 2.78Å
170Y30.9Very low34.3Very low199 Ų199145.9 Ų145.978%0.7878%0.782SS**  trans-95.4104.4174.1-68.9-91.3000109L168 N172L168-Y170 HydrophobicContact CB-CE2 4.45Å; Y170-N172 PolarHBondContact O-N 2.99Å
171D32.9Very low34Very low158 Ų158145.8 Ų145.885%0.84578%0.784SS**  trans-77.5108.3165.8-84-26000109N173D171-N173 PolarHBondContact O-N 3.23Å; D171-N173 VanDerWaalsContact O-N 3.11Å
172N32.8Very low34.3Very low153 Ų153145.5 Ų145.582%0.81879%0.786SS**  trans-82.480.2-176.9-155.924.3000108.7Y170Y170-N172 PolarHBondContact O-N 2.99Å
173N37Very low34.2Very low142 Ų142146.5 Ų146.576%0.75979%0.786SS**SBendtrans168.1112150.7-89.3-24.9000110.3D171D171-N173 PolarHBondContact O-N 3.23Å; D171-N173 VanDerWaalsContact O-N 3.11Å
174N35.6Very low34.1Very low152 Ų152148.2 Ų148.281%0.81379%0.791SS**SBendtrans59.6108.4161.7-66.5-16.4000118.6
175N34Very low33.7Very low160 Ų160145.1 Ų145.186%0.85679%0.785SS**SBendtrans72.3135.1153.5-69.3-4.9000120.4
176D33.6Very low33.5Very low149 Ų149147.4 Ų147.480%0.79779%0.789SS**  trans70.8111.2162-99-31.3000119.8T178D176-T178 VanDerWaalsContact C-N 3.31Å; D176-T178 PolarHBondContact O-N 2.84Å
177V38.2Very low33.2Very low145 Ų145144 Ų14488%0.87979%0.785SS**  trans-75.483.3168.4-176.90000108.4
178T35.7Very low33.1Very low108 Ų108145.1 Ų145.166%0.66379%0.786SS**  trans-95.4115.5169.6-48.10000109.5D176 K180D176-T178 VanDerWaalsContact C-N 3.31Å; D176-T178 PolarHBondContact O-N 2.84Å; T178-K180 PolarHBondContact O-N 2.94Å
179M35.8Very low33Very low183 Ų183143.6 Ų143.690%0.90179%0.787SS**  trans-66.5115.2175.1-67.3-158.1-176.800110.5
180K36Very low33.2Very low189 Ų189143.6 Ų143.682%0.82279%0.787SS**  trans-114.4106.9164.8-90.9-176.5176.2175.90110.1T178 V182T178-K180 PolarHBondContact O-N 2.94Å; K180-V182 PolarHBondContact O-N 2.71Å
181S35.6Very low32.9Very low108 Ų108140.3 Ų140.376%0.75579%0.788SS**  trans-73.8114163.9177.40000108.4
182V35.8Very low32.9Very low119 Ų119142 Ų14272%0.72179%0.788SS**  trans-111.597167.8-178.40000107.2K180 K184K180-V182 PolarHBondContact O-N 2.71Å; V182-K184 PolarHBondContact O-N 3.11Å
183I33.7Very low32.7Very low144 Ų144143.8 Ų143.874%0.73879%0.791SS**  trans-69.7113.4169.4-59.4168.9000107.1
184K34.4Very low32.9Very low192 Ų192143 Ų14384%0.83580%0.797SS**  trans-126.197.4152.9-84.1-168176.9-175.70108.5V182V182-K184 PolarHBondContact O-N 3.11Å
185A27.2Very low32.8Very low72 Ų72145.5 Ų145.560%0.59580%0.801SS**  trans-61.7135.8154.800000108.5
186D30.4Very low33.2Very low157 Ų157143.3 Ų143.384%0.8480%0.795SS**  -170.5111.1112.9-89.1-27.9000109.7
187C24.5Very low33.9Very low118 Ų118146 Ų14680%0.79780%0.8SS**  trans-55.9134.1161-61.40000109.6
188N31Very low33.9Very low153 Ų153144.7 Ų144.782%0.81880%0.797SS**  trans-160.6107.3140.6-99.2-26000111.9
189S28.1Very low34.2Very low108 Ų108147.1 Ų147.176%0.75581%0.805SS**  53.1143.6125.671.60000122
190S33.4Very low34.3Very low107 Ų107147.8 Ų147.875%0.74880%0.803SS**  trans109.390.8149.7-148.40000116.7
191T26.3Very low34.4Very low130 Ų130150.4 Ų150.480%0.79881%0.808SS**  trans-21124.8138.85.10000114.8
192K31.9Very low34.4Very low194 Ų194154.1 Ų154.184%0.84382%0.815SS**  174.9130.2126.3-97.3167.7-175.5-179.90113.3
193Q29.2Very low34.4Very low190 Ų190157.6 Ų157.689%0.88882%0.821SS**  trans9.4113.4145.4-68.3176.1-16.700117.7
194S40Very low34.3Very low126 Ų126161.1 Ų161.188%0.88183%0.831SS**PPolyproline II helixtrans-83.1123.7161.4470000110.8
195K33.2Very low34.3Very low204 Ų204157 Ų15789%0.88783%0.826SS**PPolyproline II helixtrans-79.9170.3172.6-102.4-171.8179.8177.90111.6
196P43.7Very low34.5Very low113 Ų113159.1 Ų159.173%0.73484%0.837SS**PPolyproline II helixtrans-99.2158.6-141.338-36.1000114.8
197K48.3Very low34.8Very low205 Ų205157.4 Ų157.489%0.89184%0.837SS**  trans-97.2103163.8-80.4179.3176.4174.40110.2
198S36.8Very low35.1Very low118 Ų118156.2 Ų156.283%0.82583%0.83SS**  trans-87.2122.5161.7-176.30000108.6
199L42.7Very low35.1Very low159 Ų159155.7 Ų155.783%0.83283%0.827SS**  trans-133.294.5171.5-102.1151.5000109.5
200K38.7Very low35.4Very low197 Ų197158.5 Ų158.586%0.85783%0.828SS**  trans18.4111.6159.5-69.7178.9176.5177.70119.4
201R38.2Very low35.2Very low244 Ų244161.9 Ų161.992%0.92183%0.832SS**  trans-77116.6159.4-169.917490.5175.46.8110
202M35.4Very low35.8Very low186 Ų186161.9 Ų161.992%0.91684%0.836SS**  trans-111.4109.3158.1-87.6-159.7148.200109.1
203K35.5Very low35.7Very low192 Ų192160 Ų16084%0.83583%0.834SS**  trans-153.1122.8144.3-112.6179.1-177-178.40108.2
204K31.7Very low35.8Very low219 Ų219157.6 Ų157.695%0.95283%0.833SS**  trans-73.6117.2171.8-150.3176.8-171.5-178.60105.9
205S33.9Very low35.3Very low106 Ų106157.4 Ų157.474%0.74183%0.83SS**  trans-146.9111.716647.20000107.7
206S31.9Very low35.3Very low116 Ų116160.9 Ų160.981%0.81185%0.846SS**  trans-45.3138.9165.745.30000112.6
207S36.7Very low34.9Very low120 Ų120163.3 Ų163.384%0.83985%0.851SS**  trans-170.368.4156174.20000108.4
208S30.8Very low34.2Very low94 Ų94161.1 Ų161.166%0.65785%0.849SS**  trans-70.2147.9137.449.60000106.3
209D30.1Very low34.1Very low142 Ų142163.5 Ų163.576%0.75985%0.85SS**  cis-171.7165.61.2-106.2-34.4000103.9
210E34.2Very low33.6Very low167 Ų167163.8 Ų163.878%0.7885%0.851SS**  trans75.3117.4147.2-76.9-172.8-168.400121.8
211E30.1Very low33.3Very low178 Ų178161.7 Ų161.783%0.83285%0.851SS**  10.5123.4114.9-68.1-176.5147.700116.4
212C39.7Very low32.9Very low130 Ų130156.2 Ų156.288%0.87885%0.846SS**  trans-159.9119133.2-141.70000111.9
213L29.1Very low32.7Very low154 Ų154154.1 Ų154.181%0.80684%0.841SS**  trans-63.4146.5156.9-71.1147.7000109.6
214T31.6Very low32.5Very low140 Ų140151.2 Ų151.286%0.85984%0.842SS**  -168.4134.9118.515.70000112
215C29.4Very low32.6Very low122 Ų122145.5 Ų145.582%0.82483%0.833SS**  trans-53.4149.1156.4-53.10000110.3
216K33.7Very low32.5Very low277 Ų277149.1 Ų149.1100%1.20484%0.841SS**  cis-121.1024-89.3173.51691750112.3

Retrieved 216 of 216 residues in 59.2 ms (Link to these results)