A0A087Y922_POEFO Loading...

Cilia- and flagella-associated protein 206

Essential for sperm motility and is involved in the regulation of the beating frequency of motile cilia on the epithelial cells of the respiratory tract. Required for the establishment of radial spokes in sperm flagella.

AlphaFold DB , UniProt , Accession A0A087Y922, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 622 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
1M43.1Very low60.7Low218 Ų218132.9 Ų132.9100%1.07461%0.61SS**  0-49.30-129.3176.4-162.400112.7A4 R5M1-A4 PolarHBondContact O-N 3.08Å; M1-R5 PolarHBondContact O-N 3.5Å
2F45.2Very low62.7Low179 Ų179128.1 Ų128.179%0.78560%0.598SS**Hα-helixtrans-58.3-48.2178.5-80.8-87000114.6A4 R5 T6F2-A4 VanDerWaalsContact C-N 3.34Å; F2-A4 PolarHBondContact O-N 2.96Å; F2-R5 WeakPolarHBondContact O-CB 3.45Å; F2-R5 PolarHBondContact O-N 3.42Å; F2-T6 PolarHBondContact O-N 3.34Å; F2-T6 PolarHBondContact O-OG1 3.4Å
3R48.4Very low64.5Low184 Ų184118.7 Ų118.769%0.69455%0.554SS**Hα-helixtrans-56.8-42179.6-166.2176.1178.3164.53.9113.8R5 T6 E7R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.27Å; R3-T6 PolarHBondContact O-N 3.46Å; R3-E7 IonicContact NE-OE1 3.98Å; R3-E7 WeakPolarHBondContact O-CB 3.38Å; R3-E7 VanDerWaalsContact O-CG 3.3Å; R3-E7 WeakPolarHBondContact O-CG 3.45Å; R3-E7 PolarHBondContact O-N 3.45Å
4A46.8Very low66.1Low50 Ų50111.9 Ų111.941%0.41352%0.523SS..Hα-helixtrans-69.2-27.3177.600000113.2M1 F2 R8M1-A4 PolarHBondContact O-N 3.08Å; F2-A4 VanDerWaalsContact C-N 3.34Å; F2-A4 PolarHBondContact O-N 2.96Å; A4-R8 WeakPolarHBondContact O-CG 3.42Å; A4-R8 PolarHBondContact O-N 2.73Å
5R56.8Low67.5Low189 Ų189108 Ų10871%0.71351%0.512SS*.Hα-helixtrans-74.8-44.6174.6-168.5177.2179.5-179.2-1110.5M1 F2 R3 E7 R8 V9M1-R5 PolarHBondContact O-N 3.5Å; F2-R5 WeakPolarHBondContact O-CB 3.45Å; F2-R5 PolarHBondContact O-N 3.42Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.27Å; R5-E7 PolarHBondContact O-N 3.22Å; R5-R8 PolarHBondContact O-N 3.21Å; R5-V9 WeakPolarHBondContact O-CG2 3.26Å; R5-V9 PolarHBondContact O-N 3.39Å; R5-V9 VanDerWaalsContact O-N 3.12Å
6T61.4Low68.9Low81 Ų81106 Ų10650%0.49750%0.502SS..Hα-helixtrans-62.1-41.4175.2-480000111.9F2 R3 R8 V9 I10F2-T6 PolarHBondContact O-N 3.34Å; F2-T6 PolarHBondContact O-OG1 3.4Å; R3-T6 PolarHBondContact O-N 3.46Å; T6-R8 VanDerWaalsContact C-N 3.33Å; T6-R8 PolarHBondContact O-N 3.47Å; T6-V9 PolarHBondContact O-N 2.69Å; T6-I10 HydrophobicContact CG2-CD1 4.1Å; T6-I10 WeakPolarHBondContact O-CG1 2.99Å; T6-I10 PolarHBondContact O-N 3.33Å
7E63.9Low70.1Confident84 Ų8499.8 Ų99.839%0.39347%0.473SS..Hα-helixtrans-62.5-36.6175.8-77.8170-170.900113R3 R5 K11R3-E7 IonicContact NE-OE1 3.98Å; R3-E7 WeakPolarHBondContact O-CB 3.38Å; R3-E7 VanDerWaalsContact O-CG 3.3Å; R3-E7 WeakPolarHBondContact O-CG 3.45Å; R3-E7 PolarHBondContact O-N 3.45Å; R5-E7 PolarHBondContact O-N 3.22Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.95Å; E7-K11 VanDerWaalsContact O-N 3.11Å
8R70.6Confident71.2Confident191 Ų19195.7 Ų95.772%0.72146%0.455SS*.Hα-helixtrans-66.9-43.5174.4-75177.3-173.5-176.11.3111.7A4 R5 T6 K11 T12A4-R8 WeakPolarHBondContact O-CG 3.42Å; A4-R8 PolarHBondContact O-N 2.73Å; R5-R8 PolarHBondContact O-N 3.21Å; T6-R8 VanDerWaalsContact C-N 3.33Å; T6-R8 PolarHBondContact O-N 3.47Å; R8-K11 PolarHBondContact O-N 2.8Å; R8-T12 PolarHBondContact O-N 3.1Å; R8-T12 PolarHBondContact O-OG1 3.3Å; R8-T12 VanDerWaalsContact O-OG1 3.09Å
9V73.8Confident72.1Confident71 Ų7197.3 Ų97.343%0.4346%0.463SS..Hα-helixtrans-62-44.8178.3174.40000111.1R5 T6 K11 T12 I13R5-V9 WeakPolarHBondContact O-CG2 3.26Å; R5-V9 PolarHBondContact O-N 3.39Å; R5-V9 VanDerWaalsContact O-N 3.12Å; T6-V9 PolarHBondContact O-N 2.69Å; V9-K11 VanDerWaalsContact C-N 3.34Å; V9-K11 PolarHBondContact O-N 2.84Å; V9-T12 PolarHBondContact O-N 3.47Å; V9-I13 HydrophobicContact CG1-CD1 3.92Å; V9-I13 VanDerWaalsContact O-CG1 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.12Å
10I77Confident73Confident71 Ų7195.8 Ų95.836%0.36446%0.455SS..Hα-helixtrans-62.4-41.8177.2-67.1168.2000111.2T6 T12 I13 I14T6-I10 HydrophobicContact CG2-CD1 4.1Å; T6-I10 WeakPolarHBondContact O-CG1 2.99Å; T6-I10 PolarHBondContact O-N 3.33Å; I10-T12 PolarHBondContact O-N 2.76Å; I10-I13 PolarHBondContact O-N 2.93Å; I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.17Å; I10-I14 PolarHBondContact O-N 3.4Å
11K81.2Confident73.7Confident144 Ų14491.2 Ų91.263%0.62643%0.433SS*.Hα-helixtrans-61.4-43.5175.6-77-176.6178.8-170.10112.1E7 R8 V9 I13 I14 C15E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.95Å; E7-K11 VanDerWaalsContact O-N 3.11Å; R8-K11 PolarHBondContact O-N 2.8Å; V9-K11 VanDerWaalsContact C-N 3.34Å; V9-K11 PolarHBondContact O-N 2.84Å; K11-I13 PolarHBondContact O-N 3.22Å; K11-I14 PolarHBondContact O-N 3.42Å; K11-C15 PolarHBondContact O-N 3.48Å; K11-C15 PolarHBondContact O-SG 2.97Å; K11-C15 VanDerWaalsContact O-SG 3.32Å
12T84.9Confident75.9Confident75 Ų7584.8 Ų84.846%0.4641%0.406SS..Hα-helixtrans-59.7-45.8175.2-58.70000111.4R8 V9 I10 I14 C15 E16R8-T12 PolarHBondContact O-N 3.1Å; R8-T12 PolarHBondContact O-OG1 3.3Å; R8-T12 VanDerWaalsContact O-OG1 3.09Å; V9-T12 PolarHBondContact O-N 3.47Å; I10-T12 PolarHBondContact O-N 2.76Å; T12-I14 VanDerWaalsContact C-N 3.32Å; T12-I14 PolarHBondContact O-N 2.94Å; T12-C15 PolarHBondContact O-N 3.46Å; T12-E16 VanDerWaalsContact CG2-OE1 3.24Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.37Å; T12-E16 WeakPolarHBondContact O-CG 3.08Å; T12-E16 PolarHBondContact O-N 3.14Å
13I85Confident78Confident6 Ų682.9 Ų82.93%0.03140%0.404CS..Hα-helixtrans-59.4-43176.3-66.8166.5000111.4V9 I10 K11 E16 I17 V37 V59 K63V9-I13 HydrophobicContact CG1-CD1 3.92Å; V9-I13 VanDerWaalsContact O-CG1 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.12Å; I10-I13 PolarHBondContact O-N 2.93Å; K11-I13 PolarHBondContact O-N 3.22Å; I13-E16 PolarHBondContact O-N 3.47Å; I13-I17 HydrophobicContact CG2-CD1 3.71Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 3.4Å; I13-V37 HydrophobicContact CG2-CG2 4.49Å; I13-V59 HydrophobicContact CD1-CG1 3.81Å; I13-V59 HydrophobicContact CD1-CG2 4.08Å; I13-V59 HydrophobicContact CG1-CG1 3.85Å; I13-K63 HydrophobicContact CG2-CG 4.15Å
14I87.3Confident79.8Confident24 Ų2478.8 Ų78.812%0.12339%0.389CS..Hα-helixtrans-61.5-48.5177.7-70.5166.3000110.8I10 K11 T12 E16 I17 V18 E30 V33 V37I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.17Å; I10-I14 PolarHBondContact O-N 3.4Å; K11-I14 PolarHBondContact O-N 3.42Å; T12-I14 VanDerWaalsContact C-N 3.32Å; T12-I14 PolarHBondContact O-N 2.94Å; I14-E16 VanDerWaalsContact C-N 3.35Å; I14-E16 PolarHBondContact O-N 2.93Å; I14-I17 PolarHBondContact O-N 3.47Å; I14-V18 HydrophobicContact CG2-CG2 4.48Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 3.42Å; I14-E30 HydrophobicContact CG2-CB 4.02Å; I14-E30 HydrophobicContact CG2-CG 4.26Å; I14-V33 HydrophobicContact CB-CG1 4.22Å; I14-V33 HydrophobicContact CG1-CG1 4.2Å; I14-V33 HydrophobicContact CG2-CB 4.12Å; I14-V33 HydrophobicContact CG2-CG1 3.96Å; I14-V37 HydrophobicContact CG1-CG2 4.47Å
15C87.6Confident81.6Confident53 Ų5379.7 Ų79.736%0.35840%0.403SS..Hα-helixtrans-59.9-44.7179.6-66.10000111.8K11 T12 I17 V18 E19K11-C15 PolarHBondContact O-N 3.48Å; K11-C15 PolarHBondContact O-SG 2.97Å; K11-C15 VanDerWaalsContact O-SG 3.32Å; T12-C15 PolarHBondContact O-N 3.46Å; C15-I17 PolarHBondContact O-N 2.62Å; C15-V18 PolarHBondContact O-N 2.99Å; C15-E19 WeakPolarHBondContact O-CG 3.45Å; C15-E19 PolarHBondContact O-N 3.03Å
16E88.8Confident82.9Confident76 Ų7674.3 Ų74.336%0.35539%0.386SS..Hα-helixtrans-64-41.1179.5-70.3176.5-158.700112.4T12 I13 I14 V18 E19 E20 K63T12-E16 VanDerWaalsContact CG2-OE1 3.24Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.37Å; T12-E16 WeakPolarHBondContact O-CG 3.08Å; T12-E16 PolarHBondContact O-N 3.14Å; I13-E16 PolarHBondContact O-N 3.47Å; I14-E16 VanDerWaalsContact C-N 3.35Å; I14-E16 PolarHBondContact O-N 2.93Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.43Å; E16-E19 PolarHBondContact O-N 3.5Å; E16-E20 WeakPolarHBondContact O-CB 3.46Å; E16-E20 PolarHBondContact O-N 2.87Å; E16-K63 WeakPolarHBondContact OE2-CE 3.24Å; E16-K63 IonicContact OE2-NZ 2.76Å; E16-K63 PolarHBondContact OE2-NZ 3.33Å
17I89.6Confident84Confident0 Ų076.5 Ų76.50%040%0.404CS..Hα-helixtrans-64.6-40175.4-66.7165.1000110.8I13 I14 C15 E20 C21 V33 V37 K63 C66 L67 L70I13-I17 HydrophobicContact CG2-CD1 3.71Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 3.4Å; I14-I17 PolarHBondContact O-N 3.47Å; C15-I17 PolarHBondContact O-N 2.62Å; I17-E20 PolarHBondContact O-N 2.92Å; I17-C21 WeakPolarHBondContact O-CB 3.4Å; I17-C21 PolarHBondContact O-N 3.3Å; I17-C21 PolarHBondContact O-SG 3.19Å; I17-C21 VanDerWaalsContact O-SG 3.37Å; I17-V33 HydrophobicContact CB-CG1 3.75Å; I17-V33 HydrophobicContact CD1-CG1 4.08Å; I17-V33 HydrophobicContact CG2-CG1 3.63Å; I17-V33 HydrophobicContact CG2-CG2 4.17Å; I17-V37 HydrophobicContact CD1-CG2 3.82Å; I17-K63 HydrophobicContact CD1-CG 4.15Å; I17-K63 HydrophobicContact CG1-CB 4.23Å; I17-K63 HydrophobicContact CG1-CG 3.91Å; I17-C66 HydrophobicContact CD1-CB 3.88Å; I17-L67 HydrophobicContact CG2-CD2 4.02Å; I17-L67 HydrophobicContact CG2-CG 4.37Å; I17-L70 HydrophobicContact CG2-CD1 3.73Å
18V89.9Confident85.1Confident26 Ų2673.5 Ų73.516%0.15839%0.392CS..Hα-helixtrans-61.3-48.2176.4170.70000110.6I14 C15 E16 E20 C21 V22 E30 V33I14-V18 HydrophobicContact CG2-CG2 4.48Å; I14-V18 WeakPolarHBondContact O-CG2 3.24Å; I14-V18 PolarHBondContact O-N 3.42Å; C15-V18 PolarHBondContact O-N 2.99Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.31Å; V18-E20 PolarHBondContact O-N 3.33Å; V18-C21 PolarHBondContact O-N 2.94Å; V18-V22 WeakPolarHBondContact O-CG2 3.17Å; V18-V22 PolarHBondContact O-N 3.43Å; V18-E30 HydrophobicContact CG2-CG 4.21Å; V18-V33 HydrophobicContact CG2-CB 4.2Å; V18-V33 HydrophobicContact CG2-CG2 3.63Å
19E89.4Confident85.8Confident127 Ų12767 Ų6759%0.59338%0.375SS*.Hα-helixtrans-58.8-43.3177.4-72.9177.6-175.400111.6C15 E16 V22 N23C15-E19 WeakPolarHBondContact O-CG 3.45Å; C15-E19 PolarHBondContact O-N 3.03Å; E16-E19 PolarHBondContact O-N 3.5Å; E19-V22 PolarHBondContact O-N 3.09Å; E19-N23 VanDerWaalsContact O-CG 3.24Å; E19-N23 PolarHBondContact O-N 2.86Å; E19-N23 PolarHBondContact O-ND2 3.01Å
20E89Confident86.2Confident67 Ų6769.5 Ų69.531%0.31338%0.382SS..Hα-helixtrans-70.1-36.7180-165.8175.1167.900112.9E16 I17 V18 V22 N23 R24 L67E16-E20 WeakPolarHBondContact O-CB 3.46Å; E16-E20 PolarHBondContact O-N 2.87Å; I17-E20 PolarHBondContact O-N 2.92Å; V18-E20 VanDerWaalsContact C-N 3.31Å; V18-E20 PolarHBondContact O-N 3.33Å; E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 3.26Å; E20-N23 PolarHBondContact O-N 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 3Å; E20-R24 VanDerWaalsContact O-N 3.11Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NE 3.44Å; E20-R24 IonicContact OE1-NH2 2.67Å; E20-R24 PolarHBondContact OE1-NH2 3.25Å; E20-L67 HydrophobicContact CB-CD2 3.94Å; E20-L67 HydrophobicContact CG-CD1 4.14Å; E20-L67 HydrophobicContact CG-CD2 4.03Å; E20-L67 WeakPolarHBondContact OE1-CD1 3.44Å; E20-L67 WeakPolarHBondContact OE2-CD1 3.28Å
21C88.3Confident86.6Confident0 Ų069.2 Ų69.20%038%0.384CS..Hα-helixtrans-60.6-42.5170.4-76.20000111.9I17 V18 R24 G25 H26 V28I17-C21 WeakPolarHBondContact O-CB 3.4Å; I17-C21 PolarHBondContact O-N 3.3Å; I17-C21 PolarHBondContact O-SG 3.19Å; I17-C21 VanDerWaalsContact O-SG 3.37Å; V18-C21 PolarHBondContact O-N 2.94Å; C21-R24 CarbonylContact O-C 3.53Å; C21-R24 PolarHBondContact O-N 3.25Å; C21-R24 VanDerWaalsContact O-N 3.15Å; C21-G25 PolarHBondContact O-N 2.93Å; C21-H26 CarbonylContact C-O 3.19Å; C21-H26 PolarHBondContact O-N 3.41Å; C21-H26 VanDerWaalsContact O-O 3.1Å; C21-V28 HydrophobicContact CB-CB 4.42Å; C21-V28 HydrophobicContact CB-CG2 3.73Å
22V89.7Confident86.7Confident83 Ų8362.9 Ų62.950%0.50336%0.357SS..Hα-helixtrans-64.2-41.7177.71710000110.8V18 E19 E20 R24 G25 H26V18-V22 WeakPolarHBondContact O-CG2 3.17Å; V18-V22 PolarHBondContact O-N 3.43Å; E19-V22 PolarHBondContact O-N 3.09Å; E20-V22 VanDerWaalsContact C-N 3.33Å; E20-V22 PolarHBondContact O-N 3.26Å; V22-R24 PolarHBondContact O-N 3.06Å; V22-G25 PolarHBondContact O-N 3.35Å; V22-H26 WeakPolarHBondContact CA-O 3.48Å; V22-H26 PolarHBondContact N-O 3.47Å
23N88.8Confident86.8Confident138 Ų13859.3 Ų59.374%0.73834%0.335SS*.Hα-helixtrans-61-29.6174.9-70.1-25.8000112.7E19 E20 G25E19-N23 VanDerWaalsContact O-CG 3.24Å; E19-N23 PolarHBondContact O-N 2.86Å; E19-N23 PolarHBondContact O-ND2 3.01Å; E20-N23 PolarHBondContact O-N 3.47Å; N23-G25 VanDerWaalsContact C-N 3.3Å
24R86.9Confident86.7Confident99 Ų9959.8 Ų59.837%0.37434%0.342SS..THydrogen-bonded Turntrans-85.13.7173.8-64179-170.2-160.55.4113.6E20 C21 V22 H26E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 3Å; E20-R24 VanDerWaalsContact O-N 3.11Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NE 3.44Å; E20-R24 IonicContact OE1-NH2 2.67Å; E20-R24 PolarHBondContact OE1-NH2 3.25Å; C21-R24 CarbonylContact O-C 3.53Å; C21-R24 PolarHBondContact O-N 3.25Å; C21-R24 VanDerWaalsContact O-N 3.15Å; V22-R24 PolarHBondContact O-N 3.06Å; R24-H26 PolarHBondContact O-CD2 3.3Å
25G84.4Confident86.6Confident69 Ų6960.8 Ų60.871%0.71135%0.345SS*.THydrogen-bonded Turntrans86.110.7177.800000115.2C21 V22 N23C21-G25 PolarHBondContact O-N 2.93Å; V22-G25 PolarHBondContact O-N 3.35Å; N23-G25 VanDerWaalsContact C-N 3.3Å
26H84.2Confident86.5Confident76 Ų7658.5 Ų58.535%0.35233%0.329SS..  trans-106.4124.7179-61.4-80.4000111.3C21 V22 R24 V28C21-H26 CarbonylContact C-O 3.19Å; C21-H26 PolarHBondContact O-N 3.41Å; C21-H26 VanDerWaalsContact O-O 3.1Å; V22-H26 WeakPolarHBondContact CA-O 3.48Å; V22-H26 PolarHBondContact N-O 3.47Å; R24-H26 PolarHBondContact O-CD2 3.3Å; H26-V28 HydrophobicContact CB-CG2 4.25Å
27S83.9Confident86.3Confident126 Ų12655.4 Ų55.488%0.88132%0.316SS*.  trans-88.3118.1172.1-175.70000110.3
28V86.4Confident86Confident22 Ų2258.3 Ų58.313%0.13333%0.328CS..  trans-132.3138.5-174.8-165.30000108.8C21 H26 L32 V33 L70C21-V28 HydrophobicContact CB-CB 4.42Å; C21-V28 HydrophobicContact CB-CG2 3.73Å; H26-V28 HydrophobicContact CB-CG2 4.25Å; V28-L32 HydrophobicContact CG1-CB 4.15Å; V28-L32 HydrophobicContact CG1-CD2 3.58Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; V28-V33 HydrophobicContact CB-CG2 4.36Å; V28-V33 HydrophobicContact CG1-CG2 3.72Å; V28-L70 HydrophobicContact CG1-CD2 4.04Å
29S85.1Confident85.7Confident54 Ų5457.2 Ų57.238%0.37832%0.322SS..  trans-82149.6177.665.80000112.1T31 L32 V33S29-T31 PolarHBondContact O-N 3.29Å; S29-L32 PolarHBondContact O-N 2.82Å; S29-L32 VanDerWaalsContact O-N 3.07Å; S29-L32 WeakPolarHBondContact OG-CB 3.42Å; S29-L32 PolarHBondContact OG-N 3.41Å; S29-V33 PolarHBondContact O-N 3.46Å; S29-V33 VanDerWaalsContact O-N 3.07Å
30E83.6Confident85.5Confident124 Ų12451.1 Ų51.158%0.57929%0.294SS*.Hα-helixtrans-55.5-36.5174.9-68-177.5177.600112.4I14 V18 V33 G34I14-E30 HydrophobicContact CG2-CB 4.02Å; I14-E30 HydrophobicContact CG2-CG 4.26Å; V18-E30 HydrophobicContact CG2-CG 4.21Å; E30-V33 PolarHBondContact O-N 3.47Å; E30-G34 PolarHBondContact O-N 2.97Å
31T83.6Confident85.2Confident65 Ų6549.4 Ų49.440%0.39929%0.288SS..Hα-helixtrans-63.3-41.9177.5-48.70000111.9S29 G34 F35 L85S29-T31 PolarHBondContact O-N 3.29Å; T31-G34 PolarHBondContact O-N 3.33Å; T31-F35 PolarHBondContact O-N 3.18Å; T31-L85 HydrophobicContact CG2-CD2 3.82Å
32L84.6Confident84.8Confident10 Ų1051 Ų515%0.05230%0.296CS..Hα-helixtrans-67.2-42.4177.4173.757.7000111.3V28 S29 F35 M36 L70 L78 I81 K82 L85V28-L32 HydrophobicContact CG1-CB 4.15Å; V28-L32 HydrophobicContact CG1-CD2 3.58Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; S29-L32 PolarHBondContact O-N 2.82Å; S29-L32 VanDerWaalsContact O-N 3.07Å; S29-L32 WeakPolarHBondContact OG-CB 3.42Å; S29-L32 PolarHBondContact OG-N 3.41Å; L32-F35 PolarHBondContact O-N 3.28Å; L32-M36 WeakPolarHBondContact O-CB 3.4Å; L32-M36 PolarHBondContact O-N 3.14Å; L32-L70 HydrophobicContact CD1-CD2 4.48Å; L32-L70 HydrophobicContact CD2-CD2 4.39Å; L32-L70 HydrophobicContact CG-CD2 4.03Å; L32-L78 HydrophobicContact CD1-CD1 4.44Å; L32-I81 HydrophobicContact CD1-CG2 3.65Å; L32-K82 HydrophobicContact CD1-CG 4.43Å; L32-K82 HydrophobicContact CD2-CD 4.48Å; L32-K82 HydrophobicContact CD2-CG 3.81Å; L32-L85 HydrophobicContact CB-CD1 3.66Å; L32-L85 HydrophobicContact CD1-CD1 3.74Å; L32-L85 HydrophobicContact CG-CD1 4.27Å
33V85.9Confident84.5Confident0 Ų047.6 Ų47.60%028%0.275CS..Hα-helixtrans-63.4-44.5174.9176.30000111I14 I17 V18 V28 S29 E30 F35 M36 V37 L70I14-V33 HydrophobicContact CB-CG1 4.22Å; I14-V33 HydrophobicContact CG1-CG1 4.2Å; I14-V33 HydrophobicContact CG2-CB 4.12Å; I14-V33 HydrophobicContact CG2-CG1 3.96Å; I17-V33 HydrophobicContact CB-CG1 3.75Å; I17-V33 HydrophobicContact CD1-CG1 4.08Å; I17-V33 HydrophobicContact CG2-CG1 3.63Å; I17-V33 HydrophobicContact CG2-CG2 4.17Å; V18-V33 HydrophobicContact CG2-CB 4.2Å; V18-V33 HydrophobicContact CG2-CG2 3.63Å; V28-V33 HydrophobicContact CB-CG2 4.36Å; V28-V33 HydrophobicContact CG1-CG2 3.72Å; S29-V33 PolarHBondContact O-N 3.46Å; S29-V33 VanDerWaalsContact O-N 3.07Å; E30-V33 PolarHBondContact O-N 3.47Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.96Å; V33-M36 PolarHBondContact O-N 3.42Å; V33-M36 VanDerWaalsContact O-N 3.11Å; V33-V37 HydrophobicContact CG1-CG2 4.29Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 3.36Å; V33-L70 HydrophobicContact CG2-CD1 3.92Å
34G84.3Confident84.1Confident17 Ų1744 Ų4418%0.17526%0.259CS..Hα-helixtrans-60.4-40176.700000113E30 T31 K38E30-G34 PolarHBondContact O-N 2.97Å; T31-G34 PolarHBondContact O-N 3.33Å; G34-K38 PolarHBondContact O-N 3.33Å
35F84.1Confident83.9Confident44 Ų4443.9 Ų43.919%0.19327%0.269CS..Hα-helixtrans-63.5-45.5171.9-177.5-85.9000111.6T31 L32 V33 K38 A39 I81 P480 F483T31-F35 PolarHBondContact O-N 3.18Å; L32-F35 PolarHBondContact O-N 3.28Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.96Å; F35-K38 PolarHBondContact O-N 3.35Å; F35-A39 HydrophobicContact CE1-CB 4.4Å; F35-A39 WeakPolarHBondContact O-CB 3.46Å; F35-A39 PolarHBondContact O-N 3.06Å; F35-I81 HydrophobicContact CD1-CD1 4.24Å; F35-I81 HydrophobicContact CD1-CG1 4.41Å; F35-I81 HydrophobicContact CD1-CG2 3.44Å; F35-I81 VanDerWaalsContact CD1-CG2 3.44Å; F35-I81 HydrophobicContact CE1-CB 4.34Å; F35-I81 HydrophobicContact CE1-CD1 3.72Å; F35-I81 HydrophobicContact CE1-CG1 3.76Å; F35-I81 HydrophobicContact CE1-CG2 3.59Å; F35-I81 HydrophobicContact CG-CG2 4.16Å; F35-I81 HydrophobicContact CZ-CG1 4.47Å; F35-I81 HydrophobicContact CZ-CG2 4.39Å; F35-P480 HydrophobicContact CE1-CB 4.09Å; F35-P480 HydrophobicContact CZ-CB 4.36Å; F35-F483 HydrophobicContact CZ-CD2 4.41Å
36M86.3Confident83.8Confident5 Ų541.5 Ų41.53%0.02524%0.24CC..Hα-helixtrans-62.9-44.4-179.4-17259.369.800112.1L32 V33 K38 A39 V40 C66 K69 L70 L78 I81L32-M36 WeakPolarHBondContact O-CB 3.4Å; L32-M36 PolarHBondContact O-N 3.14Å; V33-M36 PolarHBondContact O-N 3.42Å; V33-M36 VanDerWaalsContact O-N 3.11Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.41Å; M36-A39 WeakPolarHBondContact O-CB 3.48Å; M36-A39 PolarHBondContact O-N 3.33Å; M36-A39 VanDerWaalsContact O-N 3.12Å; M36-V40 HydrophobicContact CG-CG2 4.3Å; M36-V40 WeakPolarHBondContact O-CG2 3.25Å; M36-V40 PolarHBondContact O-N 3.25Å; M36-V40 HydrophobicContact SD-CG2 4.21Å; M36-C66 HydrophobicContact CG-CB 4.23Å; M36-K69 HydrophobicContact CE-CB 4.06Å; M36-K69 HydrophobicContact SD-CB 3.82Å; M36-K69 HydrophobicContact SD-CD 3.71Å; M36-K69 HydrophobicContact SD-CG 4.43Å; M36-L70 HydrophobicContact CB-CD2 4.22Å; M36-L70 HydrophobicContact CB-CG 4.45Å; M36-L70 HydrophobicContact CE-CD2 4.1Å; M36-L70 HydrophobicContact CG-CD1 4.49Å; M36-L70 HydrophobicContact CG-CD2 4.27Å; M36-L70 HydrophobicContact CG-CG 4.11Å; M36-L78 HydrophobicContact CE-CD1 3.87Å; M36-I81 HydrophobicContact CE-CD1 4.24Å
37V84.9Confident83.5Confident12 Ų1240.8 Ų40.87%0.07325%0.253CS..Hα-helixtrans-54.8-47.3175.2167.80000110.3I13 I14 I17 V33 V40 V41 L62I13-V37 HydrophobicContact CG2-CG2 4.49Å; I14-V37 HydrophobicContact CG1-CG2 4.47Å; I17-V37 HydrophobicContact CD1-CG2 3.82Å; V33-V37 HydrophobicContact CG1-CG2 4.29Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 3.36Å; V37-V40 PolarHBondContact O-N 3.25Å; V37-V41 VanDerWaalsContact O-CG2 3.31Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.46Å; V37-L62 HydrophobicContact CG1-CD2 4.18Å
38K82.7Confident83.3Confident60 Ų6035.8 Ų35.826%0.26122%0.216SC..Hα-helixtrans-63.5-43.9177.1-174.3176.1177.1-174.70112.2G34 F35 M36 V40 V41 L42 P493 A495G34-K38 PolarHBondContact O-N 3.33Å; F35-K38 PolarHBondContact O-N 3.35Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.41Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 PolarHBondContact O-N 2.8Å; K38-V41 PolarHBondContact O-N 3.05Å; K38-L42 HydrophobicContact CD-CD1 4.47Å; K38-L42 HydrophobicContact CG-CD1 3.83Å; K38-L42 HydrophobicContact CG-CG 4.35Å; K38-L42 WeakPolarHBondContact O-CB 3.14Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.42Å; K38-L42 PolarHBondContact O-N 3.15Å; K38-P493 PolarHBondContact NZ-O 3.01Å; K38-A495 HydrophobicContact CD-CB 4.19Å
39A83.1Confident82.4Confident3 Ų338.7 Ų38.73%0.02523%0.231CC..Hα-helixtrans-62.2-39.5178.300000112.6F35 M36 N43 P480F35-A39 HydrophobicContact CE1-CB 4.4Å; F35-A39 WeakPolarHBondContact O-CB 3.46Å; F35-A39 PolarHBondContact O-N 3.06Å; M36-A39 WeakPolarHBondContact O-CB 3.48Å; M36-A39 PolarHBondContact O-N 3.33Å; M36-A39 VanDerWaalsContact O-N 3.12Å; A39-N43 PolarHBondContact O-N 2.95Å; A39-P480 HydrophobicContact CB-CB 3.53Å; A39-P480 HydrophobicContact CB-CG 4Å
40V85.2Confident81.4Confident0 Ų041 Ų410%024%0.242CC..Hα-helixtrans-69.1-42.8178171.20000111.2M36 V37 K38 N43 N46 F48 L62 L65 K69M36-V40 HydrophobicContact CG-CG2 4.3Å; M36-V40 WeakPolarHBondContact O-CG2 3.25Å; M36-V40 PolarHBondContact O-N 3.25Å; M36-V40 HydrophobicContact SD-CG2 4.21Å; V37-V40 PolarHBondContact O-N 3.25Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 PolarHBondContact O-N 2.8Å; V40-N43 PolarHBondContact O-N 3.09Å; V40-N46 PolarHBondContact O-ND2 3.29Å; V40-F48 HydrophobicContact CG1-CE2 3.94Å; V40-L62 HydrophobicContact CB-CD1 3.98Å; V40-L62 HydrophobicContact CG1-CD1 3.53Å; V40-L65 HydrophobicContact CG1-CB 3.83Å; V40-L65 HydrophobicContact CG1-CD1 4.02Å; V40-K69 HydrophobicContact CG2-CD 3.98Å
41V83.3Confident80.4Confident31 Ų3142.1 Ų42.119%0.18825%0.252CS..Hα-helixtrans-64.8-39.6176.9171.90000111.6V37 K38 N43 F48 L62V37-V41 VanDerWaalsContact O-CG2 3.31Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 3.46Å; K38-V41 PolarHBondContact O-N 3.05Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 3.43Å; V41-F48 HydrophobicContact CG1-CB 4.41Å; V41-L62 HydrophobicContact CG2-CD1 3.79Å; V41-L62 HydrophobicContact CG2-CD2 4.15Å
42L80.9Confident79.6Confident33 Ų3345.6 Ų45.617%0.17326%0.264CS..Hα-helixtrans-75.3-17-177.9-71.1174.5000114.2K38 P44 K477 F483 L492K38-L42 HydrophobicContact CD-CD1 4.47Å; K38-L42 HydrophobicContact CG-CD1 3.83Å; K38-L42 HydrophobicContact CG-CG 4.35Å; K38-L42 WeakPolarHBondContact O-CB 3.14Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.42Å; K38-L42 PolarHBondContact O-N 3.15Å; L42-P44 WeakPolarHBondContact O-CD 3.23Å; L42-K477 WeakPolarHBondContact O-CD 3.46Å; L42-F483 HydrophobicContact CD1-CZ 4.47Å; L42-L492 HydrophobicContact CD1-CD1 4.43Å; L42-L492 HydrophobicContact CD1-CD2 3.83Å; L42-L492 HydrophobicContact CD2-CD2 3.93Å
43N82.6Confident78.9Confident11 Ų1151.8 Ų51.86%0.05930%0.302CS..  trans-77118.9-176.1-172.9-30.2000111A39 V40 V41 T45 N46A39-N43 PolarHBondContact O-N 2.95Å; V40-N43 PolarHBondContact O-N 3.09Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 3.43Å; N43-T45 PolarHBondContact O-N 2.9Å; N43-T45 VanDerWaalsContact O-N 3.14Å; N43-T45 PolarHBondContact OD1-N 3.38Å; N43-T45 PolarHBondContact OD1-OG1 2.62Å; N43-N46 PolarHBondContact O-N 2.84Å; N43-N46 VanDerWaalsContact O-N 3.07Å
44P80.6Confident78.3Confident63 Ų6355.1 Ų55.141%0.40932%0.32SS..G310 helixtrans-58.3-28.4-177.9-24.934.5000114.4L42 N46 G47 K477 F478L42-P44 WeakPolarHBondContact O-CD 3.23Å; P44-N46 PolarHBondContact O-N 3.28Å; P44-G47 PolarHBondContact O-N 2.77Å; P44-K477 HydrophobicContact CG-CB 4.42Å; P44-K477 HydrophobicContact CG-CD 4.16Å; P44-F478 HydrophobicContact CB-CE1 4.35Å; P44-F478 HydrophobicContact CB-CZ 4.2Å; P44-F478 HydrophobicContact CG-CE1 4.35Å; P44-F478 HydrophobicContact CG-CE2 4.48Å; P44-F478 HydrophobicContact CG-CZ 3.99Å
45T82.8Confident78.2Confident96 Ų9656.8 Ų56.859%0.58933%0.329SS*.G310 helixtrans-64.1-24.3179.362.30000113N43 G47 F478N43-T45 PolarHBondContact O-N 2.9Å; N43-T45 VanDerWaalsContact O-N 3.14Å; N43-T45 PolarHBondContact OD1-N 3.38Å; N43-T45 PolarHBondContact OD1-OG1 2.62Å; T45-G47 VanDerWaalsContact C-N 3.34Å; T45-F478 HydrophobicContact CG2-CD1 3.87Å; T45-F478 HydrophobicContact CG2-CE1 3.6Å
46N82.4Confident78Confident19 Ų1962.4 Ų62.410%0.10236%0.355CS..G310 helixtrans-83.3-16.9-177.2-61.2-21.7000111.2V40 N43 P44 F48 R61 L65V40-N46 PolarHBondContact O-ND2 3.29Å; N43-N46 PolarHBondContact O-N 2.84Å; N43-N46 VanDerWaalsContact O-N 3.07Å; P44-N46 PolarHBondContact O-N 3.28Å; N46-F48 VanDerWaalsContact C-N 3.3Å; N46-F48 HydrophobicContact CB-CD2 3.62Å; N46-F48 HydrophobicContact CB-CE2 3.75Å; N46-F48 PolarHBondContact O-N 3.09Å; N46-R61 PolarHBondContact O-NH1 2.92Å; N46-R61 PolarHBondContact O-NH2 3.32Å; N46-L65 HydrophobicContact CB-CD1 4.34Å
47G77.2Confident77.9Confident61 Ų6169.9 Ų69.963%0.62939%0.39SS*.  trans65.329.2175.600000114.2P44 T45P44-G47 PolarHBondContact O-N 2.77Å; T45-G47 VanDerWaalsContact C-N 3.34Å
48F79.2Confident77.8Confident22 Ų2271.8 Ų71.810%0.09640%0.4CS..  trans-81.8128.1168.6-67.1-72.5000109.4V40 V41 N46 L54 D58 R61 L62 L65V40-F48 HydrophobicContact CG1-CE2 3.94Å; V41-F48 HydrophobicContact CG1-CB 4.41Å; N46-F48 VanDerWaalsContact C-N 3.3Å; N46-F48 HydrophobicContact CB-CD2 3.62Å; N46-F48 HydrophobicContact CB-CE2 3.75Å; N46-F48 PolarHBondContact O-N 3.09Å; F48-L54 HydrophobicContact CD1-CD2 3.96Å; F48-L54 HydrophobicContact CE1-CD2 4.4Å; F48-D58 HydrophobicContact CE1-CB 4.21Å; F48-R61 VanDerWaalsContact CE1-NH2 3.26Å; F48-L62 HydrophobicContact CE1-CB 4.3Å; F48-L62 HydrophobicContact CE2-CD1 4.28Å; F48-L62 HydrophobicContact CZ-CB 3.9Å; F48-L62 HydrophobicContact CZ-CD1 4.3Å; F48-L65 HydrophobicContact CE2-CD1 3.94Å; F48-L65 HydrophobicContact CZ-CD1 4.25Å
49D67.8Low77.8Confident83 Ų8369.9 Ų69.944%0.44439%0.393SS..  trans-88.9126.4171.6-165.1-20.8000109.5D51 H52D49-D51 PolarHBondContact O-N 3.15Å; D49-D51 PolarHBondContact OD1-N 3.23Å; D49-H52 HydrophobicContact CB-CB 4.24Å; D49-H52 IonicContact OD2-CD2 3.63Å; D49-H52 PolarHBondContact OD2-CD2 3.18Å; D49-H52 IonicContact OD2-NE2 3.37Å
50V64Low78Confident101 Ų10174.7 Ų74.761%0.61242%0.415SS*.THydrogen-bonded Turntrans-71.5-22.5-177.5-175.40000111.1
51D62.3Low78.2Confident149 Ų14979.6 Ų79.680%0.79743%0.434SS*.THydrogen-bonded Turntrans-94.2-8.8-175.4-66.5-34.1000113.5D49D49-D51 PolarHBondContact O-N 3.15Å; D49-D51 PolarHBondContact OD1-N 3.23Å
52H67.9Low78.4Confident138 Ų13878.2 Ų78.264%0.63943%0.425SS*.SBendtrans-100.9147.9177.5-73.4-51.6000113.2D49 L54D49-H52 HydrophobicContact CB-CB 4.24Å; D49-H52 IonicContact OD2-CD2 3.63Å; D49-H52 PolarHBondContact OD2-CD2 3.18Å; D49-H52 IonicContact OD2-NE2 3.37Å; H52-L54 PolarHBondContact O-N 3.01Å
53T69.2Low78.8Confident139 Ų13977.4 Ų77.485%0.85342%0.42SS*.PPolyproline II helixtrans-72.1124.5173.551.30000110.1S55T53-S55 PolarHBondContact O-N 2.99Å
54L74.3Confident79.2Confident71 Ų7180.9 Ų80.937%0.37244%0.436SS..PPolyproline II helixtrans-57.5126.8176.8-62.8169.1000111F48 H52 D58 V59 L62F48-L54 HydrophobicContact CD1-CD2 3.96Å; F48-L54 HydrophobicContact CE1-CD2 4.4Å; H52-L54 PolarHBondContact O-N 3.01Å; L54-D58 HydrophobicContact CB-CB 4.26Å; L54-D58 HydrophobicContact CD2-CB 4.02Å; L54-V59 HydrophobicContact CB-CG2 4.03Å; L54-L62 HydrophobicContact CD1-CD2 4.33Å
55S80.7Confident79.6Confident52 Ų5280 Ų8036%0.36443%0.428SS..PPolyproline II helixtrans-73.2167.8169.1710000111.2T53 E57 D58 V59T53-S55 PolarHBondContact O-N 2.99Å; S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 PolarHBondContact O-N 3.41Å; S55-D58 WeakPolarHBondContact CB-OD2 3.41Å; S55-D58 PolarHBondContact N-OD2 3.25Å; S55-D58 WeakPolarHBondContact O-CB 3.13Å; S55-D58 PolarHBondContact O-N 2.97Å; S55-D58 PolarHBondContact OG-N 3.04Å; S55-D58 VanDerWaalsContact OG-N 3.12Å; S55-D58 PolarHBondContact OG-OD2 3.45Å; S55-V59 WeakPolarHBondContact O-CG2 3.44Å; S55-V59 PolarHBondContact O-N 3.44Å
56E81.3Confident80Confident161 Ų16175.5 Ų75.575%0.75240%0.4SS*.Hα-helixtrans-62.2-36.2176.1-169.4168.3-173.700111.9V59 Q60E56-V59 PolarHBondContact O-N 3.1Å; E56-Q60 WeakPolarHBondContact O-CG 3.38Å; E56-Q60 PolarHBondContact O-N 3.47Å; E56-Q60 VanDerWaalsContact O-N 3.08Å
57E83.4Confident80.3Confident163 Ų16374.6 Ų74.676%0.76240%0.395SS*.Hα-helixtrans-65.4-41.5173.8-63.8-179.4-176.400111.8S55 V59 Q60 R61S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 PolarHBondContact O-N 3.41Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.91Å; E57-Q60 PolarHBondContact O-N 3.2Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.21Å
58D82.4Confident80.9Confident51 Ų5175.2 Ų75.227%0.27338%0.384SS..Hα-helixtrans-62.8-38.6175.6-66.9-48.7000112F48 L54 S55 R61 L62F48-D58 HydrophobicContact CE1-CB 4.21Å; L54-D58 HydrophobicContact CB-CB 4.26Å; L54-D58 HydrophobicContact CD2-CB 4.02Å; S55-D58 WeakPolarHBondContact CB-OD2 3.41Å; S55-D58 PolarHBondContact N-OD2 3.25Å; S55-D58 WeakPolarHBondContact O-CB 3.13Å; S55-D58 PolarHBondContact O-N 2.97Å; S55-D58 PolarHBondContact OG-N 3.04Å; S55-D58 VanDerWaalsContact OG-N 3.12Å; S55-D58 PolarHBondContact OG-OD2 3.45Å; D58-R61 PolarHBondContact O-N 3.17Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.27Å; D58-L62 PolarHBondContact O-N 3.39Å
59V84.3Confident81.3Confident21 Ų2177.1 Ų77.113%0.12739%0.393CS..Hα-helixtrans-64.9-42.9176.5170.70000110.8I13 L54 S55 E56 E57 L62 K63I13-V59 HydrophobicContact CD1-CG1 3.81Å; I13-V59 HydrophobicContact CD1-CG2 4.08Å; I13-V59 HydrophobicContact CG1-CG1 3.85Å; L54-V59 HydrophobicContact CB-CG2 4.03Å; S55-V59 WeakPolarHBondContact O-CG2 3.44Å; S55-V59 PolarHBondContact O-N 3.44Å; E56-V59 PolarHBondContact O-N 3.1Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 3.13Å; V59-K63 HydrophobicContact CG1-CD 4.46Å; V59-K63 WeakPolarHBondContact O-CG 3.38Å; V59-K63 PolarHBondContact O-N 3.45Å
60Q86.3Confident82.3Confident103 Ų10373.5 Ų73.548%0.48137%0.373SS..Hα-helixtrans-65.9-41.8176-65.5-59.1-17.700111.9E56 E57 L62 K63 Q64E56-Q60 WeakPolarHBondContact O-CG 3.38Å; E56-Q60 PolarHBondContact O-N 3.47Å; E56-Q60 VanDerWaalsContact O-N 3.08Å; E57-Q60 PolarHBondContact O-N 3.2Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 2.91Å; Q60-K63 PolarHBondContact O-N 2.83Å; Q60-Q64 PolarHBondContact O-N 2.84Å
61R89.6Confident83.4Confident103 Ų10370.1 Ų70.139%0.38935%0.353SS..Hα-helixtrans-61.5-42.5174.8-169.1175.473.8122.74.1111.9N46 F48 E57 D58 Q64 L65N46-R61 PolarHBondContact O-NH1 2.92Å; N46-R61 PolarHBondContact O-NH2 3.32Å; F48-R61 VanDerWaalsContact CE1-NH2 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 3.21Å; D58-R61 PolarHBondContact O-N 3.17Å; R61-Q64 PolarHBondContact O-N 3.14Å; R61-L65 HydrophobicContact CG-CD1 4.24Å; R61-L65 WeakPolarHBondContact O-CB 3.44Å; R61-L65 VanDerWaalsContact O-CG 3.32Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 3.47Å
62L88.4Confident84.5Confident2 Ų267 Ų671%0.0133%0.333CS..Hα-helixtrans-61-45.2176.5175.861.3000111.5V37 V40 V41 F48 L54 D58 V59 Q60 L65 C66V37-L62 HydrophobicContact CG1-CD2 4.18Å; V40-L62 HydrophobicContact CB-CD1 3.98Å; V40-L62 HydrophobicContact CG1-CD1 3.53Å; V41-L62 HydrophobicContact CG2-CD1 3.79Å; V41-L62 HydrophobicContact CG2-CD2 4.15Å; F48-L62 HydrophobicContact CE1-CB 4.3Å; F48-L62 HydrophobicContact CE2-CD1 4.28Å; F48-L62 HydrophobicContact CZ-CB 3.9Å; F48-L62 HydrophobicContact CZ-CD1 4.3Å; L54-L62 HydrophobicContact CD1-CD2 4.33Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.27Å; D58-L62 PolarHBondContact O-N 3.39Å; V59-L62 PolarHBondContact O-N 3.13Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-L62 PolarHBondContact O-N 2.91Å; L62-L65 PolarHBondContact O-N 3.28Å; L62-C66 WeakPolarHBondContact O-CB 3.32Å; L62-C66 PolarHBondContact O-N 3.38Å; L62-C66 PolarHBondContact O-SG 2.99Å
63K88.4Confident85.1Confident16 Ų1667.7 Ų67.77%0.0734%0.337CS..Hα-helixtrans-59.6-50.5175.9-71.8172.9-168.8166.20111.1I13 E16 I17 V59 Q60 L65 C66 L67I13-K63 HydrophobicContact CG2-CG 4.15Å; E16-K63 WeakPolarHBondContact OE2-CE 3.24Å; E16-K63 IonicContact OE2-NZ 2.76Å; E16-K63 PolarHBondContact OE2-NZ 3.33Å; I17-K63 HydrophobicContact CD1-CG 4.15Å; I17-K63 HydrophobicContact CG1-CB 4.23Å; I17-K63 HydrophobicContact CG1-CG 3.91Å; V59-K63 HydrophobicContact CG1-CD 4.46Å; V59-K63 WeakPolarHBondContact O-CG 3.38Å; V59-K63 PolarHBondContact O-N 3.45Å; Q60-K63 PolarHBondContact O-N 2.83Å; K63-L65 PolarHBondContact O-N 3.49Å; K63-C66 PolarHBondContact O-N 2.79Å; K63-C66 VanDerWaalsContact O-N 3.14Å; K63-L67 WeakPolarHBondContact O-CB 3.4Å; K63-L67 WeakPolarHBondContact O-CD1 3.48Å; K63-L67 VanDerWaalsContact O-CG 3.25Å; K63-L67 WeakPolarHBondContact O-CG 3.44Å; K63-L67 PolarHBondContact O-N 3.11Å
64Q90.3Very high85.6Confident85 Ų8562.9 Ų62.940%0.39731%0.309SS..Hα-helixtrans-57.8-47.7179.9-172.762.733.500111.8Q60 R61 C66 L67 D68Q60-Q64 PolarHBondContact O-N 2.84Å; R61-Q64 PolarHBondContact O-N 3.14Å; Q64-C66 VanDerWaalsContact C-N 3.32Å; Q64-C66 PolarHBondContact O-N 2.95Å; Q64-L67 PolarHBondContact O-N 3.4Å; Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact NE2-OD2 3.05Å; Q64-D68 WeakPolarHBondContact O-CB 3.07Å; Q64-D68 PolarHBondContact O-N 3.28Å
65L89.9Confident86.2Confident45 Ų4559.7 Ų59.724%0.23629%0.293CS..Hα-helixtrans-62.4-36.9177.5-71.8173.2000112.9V40 N46 F48 R61 L62 K63 K69V40-L65 HydrophobicContact CG1-CB 3.83Å; V40-L65 HydrophobicContact CG1-CD1 4.02Å; N46-L65 HydrophobicContact CB-CD1 4.34Å; F48-L65 HydrophobicContact CE2-CD1 3.94Å; F48-L65 HydrophobicContact CZ-CD1 4.25Å; R61-L65 HydrophobicContact CG-CD1 4.24Å; R61-L65 WeakPolarHBondContact O-CB 3.44Å; R61-L65 VanDerWaalsContact O-CG 3.32Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 3.28Å; K63-L65 PolarHBondContact O-N 3.49Å; L65-K69 WeakPolarHBondContact O-CG 3.47Å; L65-K69 PolarHBondContact O-N 2.94Å
66C90Very high86.6Confident0 Ų057.3 Ų57.30%028%0.276CS..Hα-helixtrans-68.3-43.8174.9-68.40000111.3I17 M36 L62 K63 Q64 K69 L70I17-C66 HydrophobicContact CD1-CB 3.88Å; M36-C66 HydrophobicContact CG-CB 4.23Å; L62-C66 WeakPolarHBondContact O-CB 3.32Å; L62-C66 PolarHBondContact O-N 3.38Å; L62-C66 PolarHBondContact O-SG 2.99Å; K63-C66 PolarHBondContact O-N 2.79Å; K63-C66 VanDerWaalsContact O-N 3.14Å; Q64-C66 VanDerWaalsContact C-N 3.32Å; Q64-C66 PolarHBondContact O-N 2.95Å; C66-K69 PolarHBondContact O-N 3.2Å; C66-L70 WeakPolarHBondContact O-CB 3.42Å; C66-L70 WeakPolarHBondContact O-CD1 3.28Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.32Å
67L90.2Very high87Confident0 Ų049.8 Ų49.80%024%0.242CC..Hα-helixtrans-61.2-49.7178.8-71.2159.8000110.8I17 E20 K63 Q64 K69 L70 T71I17-L67 HydrophobicContact CG2-CD2 4.02Å; I17-L67 HydrophobicContact CG2-CG 4.37Å; E20-L67 HydrophobicContact CB-CD2 3.94Å; E20-L67 HydrophobicContact CG-CD1 4.14Å; E20-L67 HydrophobicContact CG-CD2 4.03Å; E20-L67 WeakPolarHBondContact OE1-CD1 3.44Å; E20-L67 WeakPolarHBondContact OE2-CD1 3.28Å; K63-L67 WeakPolarHBondContact O-CB 3.4Å; K63-L67 WeakPolarHBondContact O-CD1 3.48Å; K63-L67 VanDerWaalsContact O-CG 3.25Å; K63-L67 WeakPolarHBondContact O-CG 3.44Å; K63-L67 PolarHBondContact O-N 3.11Å; Q64-L67 PolarHBondContact O-N 3.4Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.29Å; L67-L70 PolarHBondContact O-N 3.08Å; L67-T71 WeakPolarHBondContact O-CG2 3.34Å; L67-T71 PolarHBondContact O-N 2.94Å; L67-T71 PolarHBondContact O-OG1 3.16Å
68D89.6Confident87.3Confident75 Ų7542.4 Ų42.440%0.40121%0.207SC..Hα-helixtrans-57.1-41.6179.6-66.1-19.8000111.4Q64 E72Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact NE2-OD2 3.05Å; Q64-D68 WeakPolarHBondContact O-CB 3.07Å; Q64-D68 PolarHBondContact O-N 3.28Å; D68-E72 PolarHBondContact O-N 3.43Å
69K87.3Confident87.7Confident61 Ų6140.8 Ų40.827%0.26520%0.199SC..Hα-helixtrans-71.3-35175.8-74.3-171.2178.4-167.60113.9M36 V40 L65 C66 L67M36-K69 HydrophobicContact CE-CB 4.06Å; M36-K69 HydrophobicContact SD-CB 3.82Å; M36-K69 HydrophobicContact SD-CD 3.71Å; M36-K69 HydrophobicContact SD-CG 4.43Å; V40-K69 HydrophobicContact CG2-CD 3.98Å; L65-K69 WeakPolarHBondContact O-CG 3.47Å; L65-K69 PolarHBondContact O-N 2.94Å; C66-K69 PolarHBondContact O-N 3.2Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.29Å
70L88.9Confident88.2Confident7 Ų739.8 Ų39.84%0.03719%0.193CC..Hα-helixtrans-77.3-29.7-178.9-73168.1000112.5I17 V28 L32 V33 M36 C66 L67 L78I17-L70 HydrophobicContact CG2-CD1 3.73Å; V28-L70 HydrophobicContact CG1-CD2 4.04Å; L32-L70 HydrophobicContact CD1-CD2 4.48Å; L32-L70 HydrophobicContact CD2-CD2 4.39Å; L32-L70 HydrophobicContact CG-CD2 4.03Å; V33-L70 HydrophobicContact CG2-CD1 3.92Å; M36-L70 HydrophobicContact CB-CD2 4.22Å; M36-L70 HydrophobicContact CB-CG 4.45Å; M36-L70 HydrophobicContact CE-CD2 4.1Å; M36-L70 HydrophobicContact CG-CD1 4.49Å; M36-L70 HydrophobicContact CG-CD2 4.27Å; M36-L70 HydrophobicContact CG-CG 4.11Å; C66-L70 WeakPolarHBondContact O-CB 3.42Å; C66-L70 WeakPolarHBondContact O-CD1 3.28Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.08Å; L70-L78 HydrophobicContact CD2-CD1 4.22Å; L70-L78 WeakPolarHBondContact O-CD2 3.4Å
71T86.6Confident88.3Confident30 Ų3035.1 Ų35.118%0.18417%0.171CC..SBendtrans-92.52.317761.30000113.2L67 E73L67-T71 WeakPolarHBondContact O-CG2 3.34Å; L67-T71 PolarHBondContact O-N 2.94Å; L67-T71 PolarHBondContact O-OG1 3.16Å; T71-E73 PolarHBondContact O-N 3.21Å
72E85.5Confident88.4Confident83 Ų8333.6 Ų33.639%0.38817%0.167SC..  trans-62.8119.4180-167.2-175-171.500111.3D68 S75D68-E72 PolarHBondContact O-N 3.43Å; E72-S75 WeakPolarHBondContact OE2-CB 3.2Å; E72-S75 PolarHBondContact OE2-OG 3.19Å
73E79.8Confident88.6Confident154 Ų15433.5 Ų33.572%0.7217%0.167SC*.THydrogen-bonded Turntrans-77.1133.6179.6-68.8-167.9174.400112.6T71 S75 R362T71-E73 PolarHBondContact O-N 3.21Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 3.33Å; E73-R362 PolarHBondContact O-NH2 2.8Å
74S80.6Confident88.7Confident38 Ų3832.9 Ų32.927%0.26616%0.164SC..THydrogen-bonded Turntrans56.841.9176.6-52.20000113.5P76 S358 R362S74-P76 WeakPolarHBondContact O-CD 3.47Å; S74-S358 WeakPolarHBondContact CA-OG 3.41Å; S74-R362 WeakPolarHBondContact O-CD 3.28Å; S74-R362 PolarHBondContact O-NE 3.38Å
75S87.4Confident88.6Confident4 Ų429.6 Ų29.63%0.02815%0.149CC..  trans-90.4111.9178.4-176.40000111.7E72 E73 G77 L78 D79E72-S75 WeakPolarHBondContact OE2-CB 3.2Å; E72-S75 PolarHBondContact OE2-OG 3.19Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 3.33Å; S75-G77 PolarHBondContact O-N 3.04Å; S75-L78 PolarHBondContact O-N 2.72Å; S75-D79 PolarHBondContact O-N 2.69Å; S75-D79 VanDerWaalsContact O-N 3.09Å
76P88.6Confident88.5Confident2 Ų230.3 Ų30.31%0.01315%0.149CC..Hα-helixtrans-63.2-30.2178.3-20.833.2000113S74 T80 Q266 A267 N270 Q359S74-P76 WeakPolarHBondContact O-CD 3.47Å; P76-T80 PolarHBondContact O-N 3.1Å; P76-T80 PolarHBondContact O-OG1 3Å; P76-Q266 HydrophobicContact CB-CB 4.12Å; P76-A267 HydrophobicContact CB-CB 4.37Å; P76-A267 HydrophobicContact CG-CB 4.41Å; P76-N270 HydrophobicContact CB-CB 4.46Å; P76-Q359 HydrophobicContact CG-CB 4.47Å
77G89.4Confident88.5Confident3 Ų330.8 Ų30.83%0.03115%0.151CC..Hα-helixtrans-64.8-49.3176.100000111.9S75 D79 T80 I81S75-G77 PolarHBondContact O-N 3.04Å; G77-D79 PolarHBondContact O-N 3.2Å; G77-T80 WeakPolarHBondContact O-CB 3.32Å; G77-T80 PolarHBondContact O-N 3.34Å; G77-T80 VanDerWaalsContact O-N 3.16Å; G77-I81 PolarHBondContact O-N 3.25Å; G77-I81 VanDerWaalsContact O-N 3.15Å
78L90.2Very high88.3Confident7 Ų735.8 Ų35.84%0.03718%0.175CC..Hα-helixtrans-62-42176.7-178.962.8000112.1L32 M36 L70 S75 T80 I81 K82L32-L78 HydrophobicContact CD1-CD1 4.44Å; M36-L78 HydrophobicContact CE-CD1 3.87Å; L70-L78 HydrophobicContact CD2-CD1 4.22Å; L70-L78 WeakPolarHBondContact O-CD2 3.4Å; S75-L78 PolarHBondContact O-N 2.72Å; L78-T80 VanDerWaalsContact C-N 3.25Å; L78-T80 PolarHBondContact O-N 3.48Å; L78-I81 PolarHBondContact O-N 3.19Å; L78-K82 HydrophobicContact CG-CD 4.24Å; L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 3.48Å
79D91.5Very high88.1Confident18 Ų1838.9 Ų38.910%0.09619%0.188CC..Hα-helixtrans-62.7-34.4176.3-78.8-6.5000112.1S75 G77 K82 M83 F355 S358S75-D79 PolarHBondContact O-N 2.69Å; S75-D79 VanDerWaalsContact O-N 3.09Å; G77-D79 PolarHBondContact O-N 3.2Å; D79-K82 PolarHBondContact O-N 3.04Å; D79-M83 VanDerWaalsContact O-CB 3.26Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 PolarHBondContact O-N 3.18Å; D79-F355 HydrophobicContact CB-CB 4.41Å; D79-F355 WeakPolarHBondContact CB-O 3.45Å; D79-S358 WeakPolarHBondContact OD2-CB 3.33Å; D79-S358 PolarHBondContact OD2-OG 3.22Å
80T92.8Very high88.2Confident0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-64.7-44.5174.9-52.80000111.5P76 G77 L78 M83 Q84 N270 Q273 E481P76-T80 PolarHBondContact O-N 3.1Å; P76-T80 PolarHBondContact O-OG1 3Å; G77-T80 WeakPolarHBondContact O-CB 3.32Å; G77-T80 PolarHBondContact O-N 3.34Å; G77-T80 VanDerWaalsContact O-N 3.16Å; L78-T80 VanDerWaalsContact C-N 3.25Å; L78-T80 PolarHBondContact O-N 3.48Å; T80-M83 HydrophobicContact CG2-CE 4.38Å; T80-M83 WeakPolarHBondContact O-CB 3.38Å; T80-M83 PolarHBondContact O-N 3.09Å; T80-Q84 VanDerWaalsContact O-CB 3.3Å; T80-Q84 WeakPolarHBondContact O-CB 3.41Å; T80-Q84 VanDerWaalsContact O-CG 3.22Å; T80-Q84 WeakPolarHBondContact O-CG 3.24Å; T80-Q84 PolarHBondContact O-N 3.04Å; T80-N270 WeakPolarHBondContact OG1-CA 3.38Å; T80-N270 WeakPolarHBondContact OG1-CB 3.5Å; T80-N270 PolarHBondContact OG1-ND2 3.4Å; T80-Q273 HydrophobicContact CG2-CB 3.88Å; T80-Q273 HydrophobicContact CG2-CG 4.07Å; T80-E481 HydrophobicContact CG2-CB 3.77Å
81I90.1Very high88.2Confident4 Ų440.7 Ų40.72%0.02120%0.198CC..Hα-helixtrans-64.2-42176.9-61.1163.5000110.7L32 F35 M36 G77 L78 Q84 L85 P480 E481L32-I81 HydrophobicContact CD1-CG2 3.65Å; F35-I81 HydrophobicContact CD1-CD1 4.24Å; F35-I81 HydrophobicContact CD1-CG1 4.41Å; F35-I81 HydrophobicContact CD1-CG2 3.44Å; F35-I81 VanDerWaalsContact CD1-CG2 3.44Å; F35-I81 HydrophobicContact CE1-CB 4.34Å; F35-I81 HydrophobicContact CE1-CD1 3.72Å; F35-I81 HydrophobicContact CE1-CG1 3.76Å; F35-I81 HydrophobicContact CE1-CG2 3.59Å; F35-I81 HydrophobicContact CG-CG2 4.16Å; F35-I81 HydrophobicContact CZ-CG1 4.47Å; F35-I81 HydrophobicContact CZ-CG2 4.39Å; M36-I81 HydrophobicContact CE-CD1 4.24Å; G77-I81 PolarHBondContact O-N 3.25Å; G77-I81 VanDerWaalsContact O-N 3.15Å; L78-I81 PolarHBondContact O-N 3.19Å; I81-Q84 WeakPolarHBondContact O-CB 3.45Å; I81-Q84 PolarHBondContact O-N 3.38Å; I81-L85 HydrophobicContact CG2-CD1 4.29Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.41Å; I81-P480 HydrophobicContact CD1-CG 4.18Å; I81-E481 HydrophobicContact CG1-CB 4.28Å
82K90.5Very high88.4Confident71 Ų7140 Ų4031%0.30920%0.196SC..Hα-helixtrans-62.1-43.1175.2-73.3172.1178.8169.80111.7L32 L78 D79 Q84 L85 Y86 F355L32-K82 HydrophobicContact CD1-CG 4.43Å; L32-K82 HydrophobicContact CD2-CD 4.48Å; L32-K82 HydrophobicContact CD2-CG 3.81Å; L78-K82 HydrophobicContact CG-CD 4.24Å; L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 3.48Å; D79-K82 PolarHBondContact O-N 3.04Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-L85 PolarHBondContact O-N 2.89Å; K82-Y86 VanDerWaalsContact O-CB 3.29Å; K82-Y86 WeakPolarHBondContact O-CB 3.29Å; K82-Y86 PolarHBondContact O-N 3.27Å; K82-F355 HydrophobicContact CB-CD1 3.83Å; K82-F355 HydrophobicContact CB-CE1 3.59Å; K82-F355 HydrophobicContact CB-CZ 4.48Å
83M92.8Very high88.3Confident0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-62.6-42.2176.5-173.717653.400111.9D79 T80 Y86 F87 N270 Q273 H274 F277 L352 F355D79-M83 VanDerWaalsContact O-CB 3.26Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 PolarHBondContact O-N 3.18Å; T80-M83 HydrophobicContact CG2-CE 4.38Å; T80-M83 WeakPolarHBondContact O-CB 3.38Å; T80-M83 PolarHBondContact O-N 3.09Å; M83-Y86 PolarHBondContact O-N 3.01Å; M83-F87 WeakPolarHBondContact O-CB 3.19Å; M83-F87 PolarHBondContact O-N 3.42Å; M83-N270 WeakPolarHBondContact CE-O 3.2Å; M83-Q273 HydrophobicContact CE-CB 3.6Å; M83-Q273 HydrophobicContact CE-CG 3.55Å; M83-H274 HydrophobicContact CE-CB 4Å; M83-H274 HydrophobicContact SD-CB 3.77Å; M83-F277 HydrophobicContact CG-CD2 4.17Å; M83-F277 HydrophobicContact CG-CE2 4.14Å; M83-F277 HydrophobicContact SD-CD2 4.4Å; M83-L352 HydrophobicContact CG-CD2 3.49Å; M83-L352 VanDerWaalsContact CG-CD2 3.49Å; M83-L352 HydrophobicContact SD-CD2 4.22Å; M83-F355 HydrophobicContact CB-CB 3.75Å; M83-F355 HydrophobicContact CB-CD1 4.36Å; M83-F355 HydrophobicContact CB-CD2 3.65Å; M83-F355 HydrophobicContact CB-CE2 4.35Å; M83-F355 HydrophobicContact CB-CG 3.66Å; M83-F355 HydrophobicContact CG-CB 4.15Å; M83-F355 HydrophobicContact CG-CD2 3.74Å; M83-F355 HydrophobicContact CG-CG 4.16Å; M83-F355 HydrophobicContact SD-CB 4.24Å
84Q90.1Very high88.7Confident3 Ų334 Ų341%0.01417%0.168CC..Hα-helixtrans-58.2-53.2175.8-84.4175-7.500111.9T80 I81 K82 Y86 F87 E88 Q273 F277 E481 Q484T80-Q84 VanDerWaalsContact O-CB 3.3Å; T80-Q84 WeakPolarHBondContact O-CB 3.41Å; T80-Q84 VanDerWaalsContact O-CG 3.22Å; T80-Q84 WeakPolarHBondContact O-CG 3.24Å; T80-Q84 PolarHBondContact O-N 3.04Å; I81-Q84 WeakPolarHBondContact O-CB 3.45Å; I81-Q84 PolarHBondContact O-N 3.38Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; Q84-Y86 PolarHBondContact O-N 3.21Å; Q84-F87 PolarHBondContact O-N 2.89Å; Q84-E88 WeakPolarHBondContact O-CG 3.48Å; Q84-E88 PolarHBondContact O-N 2.94Å; Q84-Q273 HydrophobicContact CG-CG 3.85Å; Q84-F277 HydrophobicContact CG-CE2 4.33Å; Q84-F277 HydrophobicContact CG-CZ 4.22Å; Q84-E481 PolarHBondContact NE2-O 3.02Å; Q84-Q484 HydrophobicContact CG-CB 4.34Å
85L88.6Confident89.2Confident17 Ų1741.1 Ų41.19%0.08919%0.189CC..Hα-helixtrans-63.9-40.4176.7-68.4172.9000112.4T31 L32 I81 K82 F87 E88 M89T31-L85 HydrophobicContact CG2-CD2 3.82Å; L32-L85 HydrophobicContact CB-CD1 3.66Å; L32-L85 HydrophobicContact CD1-CD1 3.74Å; L32-L85 HydrophobicContact CG-CD1 4.27Å; I81-L85 HydrophobicContact CG2-CD1 4.29Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.41Å; K82-L85 PolarHBondContact O-N 2.89Å; L85-F87 VanDerWaalsContact C-N 3.34Å; L85-F87 PolarHBondContact O-N 3.5Å; L85-E88 PolarHBondContact O-N 3.26Å; L85-M89 WeakPolarHBondContact O-CB 3.32Å; L85-M89 VanDerWaalsContact O-CG 3.27Å; L85-M89 WeakPolarHBondContact O-CG 3.43Å; L85-M89 PolarHBondContact O-N 3.01Å
86Y89Confident89.3Confident59 Ų5943.2 Ų43.223%0.23120%0.198CC..Hα-helixtrans-58.5-47.4175.3174.1-93.5000111K82 M83 Q84 M89 N90 I348 L352 F355K82-Y86 VanDerWaalsContact O-CB 3.29Å; K82-Y86 WeakPolarHBondContact O-CB 3.29Å; K82-Y86 PolarHBondContact O-N 3.27Å; M83-Y86 PolarHBondContact O-N 3.01Å; Q84-Y86 PolarHBondContact O-N 3.21Å; Y86-M89 PolarHBondContact O-N 2.96Å; Y86-N90 VanDerWaalsContact CD2-ND2 3.29Å; Y86-N90 WeakPolarHBondContact CD2-ND2 3.08Å; Y86-N90 WeakPolarHBondContact CE2-ND2 3.42Å; Y86-N90 WeakPolarHBondContact O-CB 3.38Å; Y86-N90 PolarHBondContact O-N 2.94Å; Y86-N90 VanDerWaalsContact O-N 3.08Å; Y86-N90 PolarHBondContact O-ND2 3.22Å; Y86-I348 HydrophobicContact CE1-CG2 4.26Å; Y86-L352 HydrophobicContact CD1-CD2 3.78Å; Y86-L352 HydrophobicContact CD1-CG 4.37Å; Y86-L352 HydrophobicContact CE1-CD2 4.2Å; Y86-L352 HydrophobicContact CE1-CG 4.29Å; Y86-F355 HydrophobicContact CD1-CE2 4.01Å; Y86-F355 HydrophobicContact CD2-CE2 4.44Å; Y86-F355 HydrophobicContact CD2-CZ 4.45Å; Y86-F355 AromaticContact CG-CE2 3.82Å; Y86-F355 HydrophobicContact CG-CE2 3.82Å; Y86-F355 HydrophobicContact CG-CZ 4.1Å
87F89Confident89.4Confident10 Ų1044.2 Ų44.24%0.04420%0.202CC..Hα-helixtrans-63.4-44.4178.7-168.3-93000111.2M83 Q84 L85 M89 N90 Y91 F277 I280 L281 I348 L352M83-F87 WeakPolarHBondContact O-CB 3.19Å; M83-F87 PolarHBondContact O-N 3.42Å; Q84-F87 PolarHBondContact O-N 2.89Å; L85-F87 VanDerWaalsContact C-N 3.34Å; L85-F87 PolarHBondContact O-N 3.5Å; F87-M89 VanDerWaalsContact C-N 3.28Å; F87-M89 PolarHBondContact O-N 3.16Å; F87-N90 PolarHBondContact O-N 3.34Å; F87-Y91 HydrophobicContact CD1-CD1 4.41Å; F87-Y91 HydrophobicContact CD1-CG 4.31Å; F87-Y91 AromaticContact CE1-CD1 3.51Å; F87-Y91 HydrophobicContact CE1-CD1 3.51Å; F87-Y91 HydrophobicContact CE1-CD2 4.31Å; F87-Y91 HydrophobicContact CE1-CE1 4.24Å; F87-Y91 AromaticContact CE1-CG 3.54Å; F87-Y91 HydrophobicContact CE1-CG 3.54Å; F87-Y91 HydrophobicContact CE2-CD2 4.16Å; F87-Y91 HydrophobicContact CE2-CG 4.04Å; F87-Y91 AromaticContact CZ-CD1 3.72Å; F87-Y91 HydrophobicContact CZ-CD1 3.72Å; F87-Y91 AromaticContact CZ-CD2 3.69Å; F87-Y91 HydrophobicContact CZ-CD2 3.69Å; F87-Y91 HydrophobicContact CZ-CE1 4.27Å; F87-Y91 HydrophobicContact CZ-CE2 4.26Å; F87-Y91 AromaticContact CZ-CG 3.38Å; F87-Y91 HydrophobicContact CZ-CG 3.38Å; F87-Y91 WeakPolarHBondContact O-CA 3.43Å; F87-Y91 WeakPolarHBondContact O-CB 3.25Å; F87-Y91 PolarHBondContact O-N 3.11Å; F87-F277 HydrophobicContact CB-CD1 4.27Å; F87-F277 HydrophobicContact CB-CD2 3.97Å; F87-F277 HydrophobicContact CB-CE1 3.97Å; F87-F277 HydrophobicContact CB-CE2 3.63Å; F87-F277 HydrophobicContact CB-CG 4.27Å; F87-F277 HydrophobicContact CB-CZ 3.61Å; F87-F277 AromaticContact CD1-CD1 3.44Å; F87-F277 HydrophobicContact CD1-CD1 3.44Å; F87-F277 VanDerWaalsContact CD1-CD1 3.44Å; F87-F277 AromaticContact CD1-CE1 3.3Å; F87-F277 HydrophobicContact CD1-CE1 3.3Å; F87-F277 HydrophobicContact CD1-CE2 4.5Å; F87-F277 HydrophobicContact CD1-CG 4.13Å; F87-F277 AromaticContact CD1-CZ 3.87Å; F87-F277 HydrophobicContact CD1-CZ 3.87Å; F87-F277 HydrophobicContact CD2-CB 3.82Å; F87-F277 AromaticContact CD2-CD1 3.81Å; F87-F277 HydrophobicContact CD2-CD1 3.81Å; F87-F277 HydrophobicContact CD2-CD2 4.04Å; F87-F277 HydrophobicContact CD2-CE1 4.32Å; F87-F277 AromaticContact CD2-CG 3.65Å; F87-F277 HydrophobicContact CD2-CG 3.65Å; F87-F277 AromaticContact CE1-CD1 3.58Å; F87-F277 HydrophobicContact CE1-CD1 3.58Å; F87-F277 AromaticContact CE1-CE1 3.8Å; F87-F277 HydrophobicContact CE1-CE1 3.8Å; F87-F277 HydrophobicContact CE1-CG 4.38Å; F87-F277 HydrophobicContact CE2-CB 3.75Å; F87-F277 AromaticContact CE2-CD1 3.93Å; F87-F277 HydrophobicContact CE2-CD1 3.93Å; F87-F277 AromaticContact CE2-CG 3.93Å; F87-F277 HydrophobicContact CE2-CG 3.93Å; F87-F277 HydrophobicContact CG-CB 4.42Å; F87-F277 AromaticContact CG-CD1 3.55Å; F87-F277 HydrophobicContact CG-CD1 3.55Å; F87-F277 AromaticContact CG-CD2 3.96Å; F87-F277 HydrophobicContact CG-CD2 3.96Å; F87-F277 AromaticContact CG-CE1 3.6Å; F87-F277 HydrophobicContact CG-CE1 3.6Å; F87-F277 AromaticContact CG-CE2 3.98Å; F87-F277 HydrophobicContact CG-CE2 3.98Å; F87-F277 AromaticContact CG-CG 3.74Å; F87-F277 HydrophobicContact CG-CG 3.74Å; F87-F277 AromaticContact CG-CZ 3.79Å; F87-F277 HydrophobicContact CG-CZ 3.79Å; F87-F277 HydrophobicContact CZ-CB 4.3Å; F87-F277 AromaticContact CZ-CD1 3.82Å; F87-F277 HydrophobicContact CZ-CD1 3.82Å; F87-F277 HydrophobicContact CZ-CE1 4.48Å; F87-F277 HydrophobicContact CZ-CG 4.29Å; F87-I280 HydrophobicContact CE1-CD1 4.46Å; F87-I280 HydrophobicContact CZ-CB 4.46Å; F87-I280 HydrophobicContact CZ-CD1 4.44Å; F87-I280 HydrophobicContact CZ-CG2 4.24Å; F87-L281 HydrophobicContact CE2-CD1 4.18Å; F87-L281 HydrophobicContact CE2-CD2 4.01Å; F87-L281 HydrophobicContact CE2-CG 4.02Å; F87-L281 HydrophobicContact CZ-CD2 4.44Å; F87-I348 HydrophobicContact CD2-CG2 4.13Å; F87-I348 HydrophobicContact CE2-CG2 4.27Å; F87-L352 HydrophobicContact CB-CD2 4.46Å; F87-L352 HydrophobicContact CD2-CD1 4.23Å; F87-L352 HydrophobicContact CD2-CD2 4.33Å
88E86.9Confident89.6Confident106 Ų10645.7 Ų45.750%0.49521%0.209SC..Hα-helixtrans-60.6-34.5177-72.8-176.516800113.7Q84 L85 Q484Q84-E88 WeakPolarHBondContact O-CG 3.48Å; Q84-E88 PolarHBondContact O-N 2.94Å; L85-E88 PolarHBondContact O-N 3.26Å; E88-Q484 PolarHBondContact OE1-NE2 2.72Å; E88-Q484 VanDerWaalsContact OE1-NE2 3.16Å
89M84.9Confident89.7Confident140 Ų14048.2 Ų48.269%0.6923%0.231SC*.Hα-helixtrans-79.4-29.4179.7-70.8179.168.600113.5L85 Y86 F87L85-M89 WeakPolarHBondContact O-CB 3.32Å; L85-M89 VanDerWaalsContact O-CG 3.27Å; L85-M89 WeakPolarHBondContact O-CG 3.43Å; L85-M89 PolarHBondContact O-N 3.01Å; Y86-M89 PolarHBondContact O-N 2.96Å; F87-M89 VanDerWaalsContact C-N 3.28Å; F87-M89 PolarHBondContact O-N 3.16Å
90N88.6Confident89.7Confident71 Ų7151 Ų5138%0.3824%0.244SC..Hα-helixtrans-107.9-22.5-171.2-66.9-85.8000113.7Y86 F87 F97 I348Y86-N90 VanDerWaalsContact CD2-ND2 3.29Å; Y86-N90 WeakPolarHBondContact CD2-ND2 3.08Å; Y86-N90 WeakPolarHBondContact CE2-ND2 3.42Å; Y86-N90 WeakPolarHBondContact O-CB 3.38Å; Y86-N90 PolarHBondContact O-N 2.94Å; Y86-N90 VanDerWaalsContact O-N 3.08Å; Y86-N90 PolarHBondContact O-ND2 3.22Å; F87-N90 PolarHBondContact O-N 3.34Å; N90-F97 WeakPolarHBondContact O-CE1 3.19Å; N90-I348 HydrophobicContact CB-CG1 4.24Å; N90-I348 WeakPolarHBondContact O-CD1 3.49Å
91Y89.4Confident89.6Confident34 Ų3452.2 Ų52.213%0.13325%0.25CC..  trans-95.7132.5178.2-177.6-94.9000111.4F87 F97 I280 L281 D284 L345 I348 L507F87-Y91 HydrophobicContact CD1-CD1 4.41Å; F87-Y91 HydrophobicContact CD1-CG 4.31Å; F87-Y91 AromaticContact CE1-CD1 3.51Å; F87-Y91 HydrophobicContact CE1-CD1 3.51Å; F87-Y91 HydrophobicContact CE1-CD2 4.31Å; F87-Y91 HydrophobicContact CE1-CE1 4.24Å; F87-Y91 AromaticContact CE1-CG 3.54Å; F87-Y91 HydrophobicContact CE1-CG 3.54Å; F87-Y91 HydrophobicContact CE2-CD2 4.16Å; F87-Y91 HydrophobicContact CE2-CG 4.04Å; F87-Y91 AromaticContact CZ-CD1 3.72Å; F87-Y91 HydrophobicContact CZ-CD1 3.72Å; F87-Y91 AromaticContact CZ-CD2 3.69Å; F87-Y91 HydrophobicContact CZ-CD2 3.69Å; F87-Y91 HydrophobicContact CZ-CE1 4.27Å; F87-Y91 HydrophobicContact CZ-CE2 4.26Å; F87-Y91 AromaticContact CZ-CG 3.38Å; F87-Y91 HydrophobicContact CZ-CG 3.38Å; F87-Y91 WeakPolarHBondContact O-CA 3.43Å; F87-Y91 WeakPolarHBondContact O-CB 3.25Å; F87-Y91 PolarHBondContact O-N 3.11Å; Y91-F97 HydrophobicContact CD2-CE2 4.27Å; Y91-F97 HydrophobicContact CD2-CZ 4.33Å; Y91-F97 HydrophobicContact CE2-CE2 4.4Å; Y91-I280 HydrophobicContact CE1-CG2 4.04Å; Y91-I280 HydrophobicContact CE2-CG2 3.95Å; Y91-I280 VanDerWaalsContact CZ-CG2 3.5Å; Y91-I280 VanDerWaalsContact OH-CG2 3.28Å; Y91-I280 WeakPolarHBondContact OH-CG2 3.5Å; Y91-L281 HydrophobicContact CD2-CD2 3.73Å; Y91-L281 HydrophobicContact CE2-CD2 3.94Å; Y91-D284 WeakPolarHBondContact CE2-OD2 3.35Å; Y91-D284 PolarHBondContact OH-OD2 3.39Å; Y91-L345 HydrophobicContact CD2-CD2 4.5Å; Y91-L345 HydrophobicContact CE2-CD2 4.22Å; Y91-I348 HydrophobicContact CD2-CD1 4.38Å; Y91-L507 HydrophobicContact CE1-CD2 4.34Å
92A89.7Confident89.7Confident17 Ų1755.9 Ų55.914%0.1427%0.267CS..  trans-136.8168.8179.100000110.7E96 F97A92-E96 HydrophobicContact CB-CB 3.97Å; A92-F97 HydrophobicContact CB-CD1 4.13Å; A92-F97 HydrophobicContact CB-CE1 3.94Å; A92-F97 HydrophobicContact CB-CE2 4.36Å; A92-F97 HydrophobicContact CB-CG 4.42Å; A92-F97 HydrophobicContact CB-CZ 4.09Å; A92-F97 WeakPolarHBondContact O-CD2 3.34Å; A92-F97 WeakPolarHBondContact O-CE2 3.42Å
93L85.3Confident89.9Confident62 Ų6259.3 Ų59.333%0.32528%0.278SS..  trans-61.1147.4169.3-77.9169.6000110.1R95 E96 F97 L507L93-R95 PolarHBondContact O-N 3.42Å; L93-E96 HydrophobicContact CB-CG 4.33Å; L93-E96 WeakPolarHBondContact O-CA 3.47Å; L93-E96 WeakPolarHBondContact O-CB 3.25Å; L93-E96 PolarHBondContact O-N 2.91Å; L93-F97 PolarHBondContact O-N 3.19Å; L93-L507 HydrophobicContact CB-CD2 4.45Å; L93-L507 HydrophobicContact CD1-CD2 4.2Å; L93-L507 HydrophobicContact CD1-CG 4.07Å; L93-L507 HydrophobicContact CD2-CD2 3.2Å; L93-L507 HydrophobicContact CD2-CG 4Å; L93-L507 HydrophobicContact CG-CD1 4.48Å; L93-L507 HydrophobicContact CG-CD2 3.32Å; L93-L507 HydrophobicContact CG-CG 3.61Å
94R88.1Confident89.8Confident48 Ų4862.4 Ų62.418%0.18129%0.294CS..Hα-helixtrans-46.4-42174.3-176.8-179.3169.5102.97.8114.1E96 F97 L98 C288 E338 L341R94-E96 VanDerWaalsContact C-N 3.31Å; R94-E96 PolarHBondContact O-N 2.98Å; R94-F97 PolarHBondContact O-N 2.93Å; R94-L98 HydrophobicContact CG-CD1 4.35Å; R94-L98 WeakPolarHBondContact O-CG 3.35Å; R94-L98 PolarHBondContact O-N 2.98Å; R94-C288 PolarHBondContact NH1-SG 2.95Å; R94-E338 IonicContact CZ-OE1 2.83Å; R94-E338 IonicContact CZ-OE2 2.75Å; R94-E338 IonicContact NH1-OE1 3.02Å; R94-E338 IonicContact NH1-OE2 3.13Å; R94-E338 PolarHBondContact NH1-OE2 2.83Å; R94-E338 IonicContact NH2-OE1 2.84Å; R94-E338 PolarHBondContact NH2-OE1 3.42Å; R94-E338 IonicContact NH2-OE2 3.17Å; R94-E338 PolarHBondContact NH2-OE2 3.39Å; R94-L341 HydrophobicContact CG-CD1 4Å
95R90Very high89.8Confident188 Ų18865 Ų6571%0.70931%0.307SS*.Hα-helixtrans-61.5-40.8178.3-179.8-176.7175.4-162.5-1.4111.8L93 A99L93-R95 PolarHBondContact O-N 3.42Å; R95-A99 WeakPolarHBondContact O-CB 3.12Å; R95-A99 PolarHBondContact O-N 3.39Å
96E90.8Very high89.9Confident47 Ų4766.2 Ų66.222%0.2231%0.313CS..Hα-helixtrans-70.1-42.3-179.9-64.3175.3-154.400110.6A92 L93 R94 L98 A99 E100A92-E96 HydrophobicContact CB-CB 3.97Å; L93-E96 HydrophobicContact CB-CG 4.33Å; L93-E96 WeakPolarHBondContact O-CA 3.47Å; L93-E96 WeakPolarHBondContact O-CB 3.25Å; L93-E96 PolarHBondContact O-N 2.91Å; R94-E96 VanDerWaalsContact C-N 3.31Å; R94-E96 PolarHBondContact O-N 2.98Å; E96-L98 PolarHBondContact O-N 3.49Å; E96-A99 PolarHBondContact O-N 3.24Å; E96-E100 WeakPolarHBondContact O-CB 3.36Å; E96-E100 PolarHBondContact O-N 3.28Å
97F90.8Very high90.1Very high23 Ų2370.4 Ų70.410%0.10133%0.332CS..Hα-helixtrans-58.3-47.1173-74.4-47.7000112.4N90 Y91 A92 L93 R94 A99 E100 I101 L341 I344 L345 I348N90-F97 WeakPolarHBondContact O-CE1 3.19Å; Y91-F97 HydrophobicContact CD2-CE2 4.27Å; Y91-F97 HydrophobicContact CD2-CZ 4.33Å; Y91-F97 HydrophobicContact CE2-CE2 4.4Å; A92-F97 HydrophobicContact CB-CD1 4.13Å; A92-F97 HydrophobicContact CB-CE1 3.94Å; A92-F97 HydrophobicContact CB-CE2 4.36Å; A92-F97 HydrophobicContact CB-CG 4.42Å; A92-F97 HydrophobicContact CB-CZ 4.09Å; A92-F97 WeakPolarHBondContact O-CD2 3.34Å; A92-F97 WeakPolarHBondContact O-CE2 3.42Å; L93-F97 PolarHBondContact O-N 3.19Å; R94-F97 PolarHBondContact O-N 2.93Å; F97-A99 VanDerWaalsContact C-N 3.34Å; F97-A99 PolarHBondContact O-N 2.9Å; F97-E100 PolarHBondContact O-N 3.39Å; F97-I101 VanDerWaalsContact O-CG1 3.24Å; F97-I101 WeakPolarHBondContact O-CG1 3.17Å; F97-I101 PolarHBondContact O-N 3.2Å; F97-L341 HydrophobicContact CB-CD2 3.29Å; F97-L341 HydrophobicContact CD2-CD2 4.15Å; F97-L341 HydrophobicContact CG-CD2 4.06Å; F97-I344 HydrophobicContact CD1-CD1 4.34Å; F97-I344 HydrophobicContact CD1-CG2 4.09Å; F97-I344 HydrophobicContact CE1-CG2 3.64Å; F97-I344 HydrophobicContact CZ-CG2 3.88Å; F97-L345 HydrophobicContact CE2-CD2 4.46Å; F97-I348 HydrophobicContact CZ-CD1 4.02Å
98L92.1Very high90.2Very high34 Ų3477.5 Ų77.518%0.17836%0.363CS..Hα-helixtrans-61.7-42.2177.5-71.2174.9000112.2R94 E96 E100 I101 H102 D337 L341R94-L98 HydrophobicContact CG-CD1 4.35Å; R94-L98 WeakPolarHBondContact O-CG 3.35Å; R94-L98 PolarHBondContact O-N 2.98Å; E96-L98 PolarHBondContact O-N 3.49Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 2.95Å; L98-I101 HydrophobicContact CD2-CD1 4.37Å; L98-I101 PolarHBondContact O-N 2.93Å; L98-H102 VanDerWaalsContact O-CG 3.31Å; L98-H102 PolarHBondContact O-N 2.89Å; L98-D337 HydrophobicContact CD2-CB 3.65Å; L98-L341 HydrophobicContact CD1-CD1 4.46Å; L98-L341 HydrophobicContact CD2-CD1 3.65Å; L98-L341 HydrophobicContact CD2-CD2 4.26Å; L98-L341 HydrophobicContact CD2-CG 3.94Å; L98-L341 HydrophobicContact CG-CD1 4Å; L98-L341 HydrophobicContact CG-CD2 4.35Å; L98-L341 HydrophobicContact CG-CG 4.46Å
99A92.8Very high90.4Very high61 Ų6172.6 Ų72.650%0.50434%0.34SS..Hα-helixtrans-60.7-41.1176.100000111.5R95 E96 F97 R103R95-A99 WeakPolarHBondContact O-CB 3.12Å; R95-A99 PolarHBondContact O-N 3.39Å; E96-A99 PolarHBondContact O-N 3.24Å; F97-A99 VanDerWaalsContact C-N 3.34Å; F97-A99 PolarHBondContact O-N 2.9Å; A99-R103 VanDerWaalsContact O-CB 3.29Å; A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 2.95Å
100E91.8Very high90.8Very high76 Ų7667.2 Ų67.236%0.35532%0.316SS..Hα-helixtrans-69.6-42.4178.3-174.156.8-160.700112.4E96 F97 L98 H102 R103 I104E96-E100 WeakPolarHBondContact O-CB 3.36Å; E96-E100 PolarHBondContact O-N 3.28Å; F97-E100 PolarHBondContact O-N 3.39Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 2.95Å; E100-H102 VanDerWaalsContact C-N 3.32Å; E100-H102 PolarHBondContact O-N 3.44Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.94Å; E100-R103 IonicContact OE1-CZ 3.4Å; E100-R103 IonicContact OE1-NE 2.61Å; E100-R103 PolarHBondContact OE1-NE 3.25Å; E100-R103 IonicContact OE1-NH2 3.19Å; E100-R103 PolarHBondContact OE1-NH2 2.79Å; E100-R103 IonicContact OE2-CZ 3.82Å; E100-R103 IonicContact OE2-NE 2.78Å; E100-R103 PolarHBondContact OE2-NE 2.92Å; E100-R103 IonicContact OE2-NH2 2.72Å; E100-I104 HydrophobicContact CG-CD1 3.95Å; E100-I104 HydrophobicContact CG-CG1 4.45Å; E100-I104 VanDerWaalsContact O-CG1 3.32Å; E100-I104 WeakPolarHBondContact O-CG1 3.18Å; E100-I104 PolarHBondContact O-N 2.89Å
101I90.7Very high91Very high25 Ų2565.6 Ų65.613%0.12832%0.316CS..Hα-helixtrans-54.7-50.3173.3-69.6162.4000109.9F97 L98 R103 I104 L105 E340 L341 I344F97-I101 VanDerWaalsContact O-CG1 3.24Å; F97-I101 WeakPolarHBondContact O-CG1 3.17Å; F97-I101 PolarHBondContact O-N 3.2Å; L98-I101 HydrophobicContact CD2-CD1 4.37Å; L98-I101 PolarHBondContact O-N 2.93Å; I101-R103 PolarHBondContact O-N 2.9Å; I101-I104 PolarHBondContact O-N 3.15Å; I101-L105 WeakPolarHBondContact O-CB 3.42Å; I101-L105 PolarHBondContact O-N 3.45Å; I101-E340 HydrophobicContact CD1-CB 3.97Å; I101-E340 HydrophobicContact CD1-CG 3.75Å; I101-E340 HydrophobicContact CG1-CG 3.8Å; I101-E340 HydrophobicContact CG2-CG 4.15Å; I101-L341 HydrophobicContact CD1-CD2 3.94Å; I101-L341 HydrophobicContact CD1-CG 4.1Å; I101-I344 HydrophobicContact CD1-CD1 3.94Å; I101-I344 HydrophobicContact CG1-CD1 4.03Å
102H91.9Very high91Very high81 Ų8165.2 Ų65.238%0.37532%0.318SS..Hα-helixtrans-66.9-36.6179.6-65.4167.5000112.2L98 E100 L105 E106 D337L98-H102 VanDerWaalsContact O-CG 3.31Å; L98-H102 PolarHBondContact O-N 2.89Å; E100-H102 VanDerWaalsContact C-N 3.32Å; E100-H102 PolarHBondContact O-N 3.44Å; H102-L105 PolarHBondContact O-N 3.26Å; H102-E106 WeakPolarHBondContact O-CB 3.24Å; H102-E106 WeakPolarHBondContact O-CG 3.3Å; H102-E106 PolarHBondContact O-N 3.4Å; H102-D337 IonicContact CD2-OD1 3.2Å; H102-D337 IonicContact CE1-OD1 3.89Å; H102-D337 IonicContact CE1-OD2 2.83Å; H102-D337 IonicContact NE2-OD1 3.62Å; H102-D337 PolarHBondContact NE2-OD1 3Å; H102-D337 IonicContact NE2-OD2 2.86Å; H102-D337 PolarHBondContact NE2-OD2 3.49Å
103R94.3Very high91.2Very high143 Ų14366.6 Ų66.654%0.5432%0.319SS..Hα-helixtrans-62.8-46.8175.4-169.5-169.97686.61.7111.5A99 E100 I101 L105 E106 F107A99-R103 VanDerWaalsContact O-CB 3.29Å; A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 2.95Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.94Å; E100-R103 IonicContact OE1-CZ 3.4Å; E100-R103 IonicContact OE1-NE 2.61Å; E100-R103 PolarHBondContact OE1-NE 3.25Å; E100-R103 IonicContact OE1-NH2 3.19Å; E100-R103 PolarHBondContact OE1-NH2 2.79Å; E100-R103 IonicContact OE2-CZ 3.82Å; E100-R103 IonicContact OE2-NE 2.78Å; E100-R103 PolarHBondContact OE2-NE 2.92Å; E100-R103 IonicContact OE2-NH2 2.72Å; I101-R103 PolarHBondContact O-N 2.9Å; R103-L105 VanDerWaalsContact C-N 3.35Å; R103-E106 PolarHBondContact O-N 3.4Å; R103-F107 WeakPolarHBondContact O-CB 3.5Å; R103-F107 PolarHBondContact O-N 2.88Å
104I91.1Very high91.5Very high65 Ų6570.7 Ų70.733%0.33333%0.33SS..Hα-helixtrans-63.2-42.9178.1-69.1168.8000110.3E100 I101 F107 K108E100-I104 HydrophobicContact CG-CD1 3.95Å; E100-I104 HydrophobicContact CG-CG1 4.45Å; E100-I104 VanDerWaalsContact O-CG1 3.32Å; E100-I104 WeakPolarHBondContact O-CG1 3.18Å; E100-I104 PolarHBondContact O-N 2.89Å; I101-I104 PolarHBondContact O-N 3.15Å; I104-F107 PolarHBondContact O-N 2.95Å; I104-K108 HydrophobicContact CG2-CD 4.12Å; I104-K108 HydrophobicContact CG2-CG 4.49Å; I104-K108 WeakPolarHBondContact O-CG 3.21Å; I104-K108 PolarHBondContact O-N 2.93Å
105L90.1Very high91.7Very high58 Ų5873.6 Ų73.630%0.30435%0.346SS..Hα-helixtrans-61-49.6176.6-179.763000111.5I101 H102 R103 F107 K108 L109I101-L105 WeakPolarHBondContact O-CB 3.42Å; I101-L105 PolarHBondContact O-N 3.45Å; H102-L105 PolarHBondContact O-N 3.26Å; R103-L105 VanDerWaalsContact C-N 3.35Å; L105-F107 VanDerWaalsContact C-N 3.28Å; L105-F107 PolarHBondContact O-N 3.41Å; L105-K108 PolarHBondContact O-N 3.03Å; L105-L109 HydrophobicContact CD1-CD1 3.95Å; L105-L109 HydrophobicContact CD1-CG 4.27Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.24Å
106E91.4Very high91.7Very high42 Ų4264.7 Ų64.720%0.19631%0.312CS..Hα-helixtrans-64.7-32.9178-74-70.5169.800112.4H102 R103 S110 R113 R141H102-E106 WeakPolarHBondContact O-CB 3.24Å; H102-E106 WeakPolarHBondContact O-CG 3.3Å; H102-E106 PolarHBondContact O-N 3.4Å; R103-E106 PolarHBondContact O-N 3.4Å; E106-S110 PolarHBondContact O-N 3.12Å; E106-S110 VanDerWaalsContact O-N 3.08Å; E106-R113 IonicContact OE2-NH1 3.6Å; E106-R113 PolarHBondContact OE2-NH1 3.46Å; E106-R141 IonicContact OE1-CZ 3.08Å; E106-R141 IonicContact OE1-NH1 3.04Å; E106-R141 PolarHBondContact OE1-NH1 2.83Å; E106-R141 IonicContact OE1-NH2 2.68Å; E106-R141 PolarHBondContact OE1-NH2 3.44Å; E106-R141 IonicContact OE2-NH1 3.32Å
107F92.9Very high91.7Very high147 Ų14762.7 Ų62.765%0.64530%0.303SS*.Hα-helixtrans-64.5-49.7172.9179-98.7000111.4R103 I104 L105 L109 S110R103-F107 WeakPolarHBondContact O-CB 3.5Å; R103-F107 PolarHBondContact O-N 2.88Å; I104-F107 PolarHBondContact O-N 2.95Å; L105-F107 VanDerWaalsContact C-N 3.28Å; L105-F107 PolarHBondContact O-N 3.41Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 3.49Å; F107-S110 VanDerWaalsContact O-CB 3.29Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.3Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 2.91Å
108K91.1Very high91.6Very high159 Ų15966 Ų6669%0.69132%0.322SS*.Hα-helixtrans-59.2-38.6177-73.2174.4-179.71770112.1I104 L105 S110I104-K108 HydrophobicContact CG2-CD 4.12Å; I104-K108 HydrophobicContact CG2-CG 4.49Å; I104-K108 WeakPolarHBondContact O-CG 3.21Å; I104-K108 PolarHBondContact O-N 2.93Å; L105-K108 PolarHBondContact O-N 3.03Å; K108-S110 VanDerWaalsContact C-N 3.32Å; K108-S110 PolarHBondContact O-N 3.01Å
109L91.8Very high91.4Very high4 Ų466 Ų662%0.02132%0.323CS..Hα-helixtrans-80.1-10.4179.9-66.1174.1000113.8L105 F107 G111 V112 R113 Y137 L140 R141L105-L109 HydrophobicContact CD1-CD1 3.95Å; L105-L109 HydrophobicContact CD1-CG 4.27Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.24Å; F107-L109 VanDerWaalsContact C-N 3.28Å; F107-L109 PolarHBondContact O-N 3.49Å; L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.4Å; L109-V112 PolarHBondContact O-N 3.07Å; L109-R113 VanDerWaalsContact O-CB 3.24Å; L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 PolarHBondContact O-N 3.17Å; L109-Y137 HydrophobicContact CB-CE2 4.06Å; L109-Y137 HydrophobicContact CD1-CE2 4.32Å; L109-Y137 HydrophobicContact CD2-CD2 4.42Å; L109-Y137 HydrophobicContact CD2-CE2 4.49Å; L109-L140 HydrophobicContact CD2-CB 3.61Å; L109-L140 HydrophobicContact CD2-CD1 4.45Å; L109-R141 HydrophobicContact CD1-CB 3.77Å; L109-R141 HydrophobicContact CD1-CG 3.86Å
110S92Very high90.9Very high26 Ų2673.3 Ų73.318%0.18234%0.337CS..Hα-helixtrans-62.7-33.9-17269.10000113.8E106 F107 K108 R114E106-S110 PolarHBondContact O-N 3.12Å; E106-S110 VanDerWaalsContact O-N 3.08Å; F107-S110 VanDerWaalsContact O-CB 3.29Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.3Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 2.91Å; K108-S110 VanDerWaalsContact C-N 3.32Å; K108-S110 PolarHBondContact O-N 3.01Å; S110-R114 WeakPolarHBondContact O-CB 3.03Å; S110-R114 WeakPolarHBondContact O-CG 3.45Å; S110-R114 PolarHBondContact O-N 2.91Å
111G92.2Very high90.5Very high37 Ų3770.2 Ų70.238%0.38132%0.324SS..Hα-helixtrans-63.2-59.8176.400000111.6L109 R113 R114 E115L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.4Å; G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 2.91Å; G111-R114 PolarHBondContact O-N 3.41Å; G111-R114 VanDerWaalsContact O-N 3.1Å; G111-E115 PolarHBondContact O-N 2.76Å
112V91.1Very high90.1Very high27 Ų2777.9 Ų77.916%0.16436%0.357CS..Hα-helixtrans-59.4-38.5178.2-175.20000111.4L109 R114 E115 I116 Y137 L140L109-V112 PolarHBondContact O-N 3.07Å; V112-R114 PolarHBondContact O-N 2.93Å; V112-E115 PolarHBondContact O-N 3.33Å; V112-I116 HydrophobicContact CG1-CD1 3.98Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.43Å; V112-I116 PolarHBondContact O-N 3.29Å; V112-I116 VanDerWaalsContact O-N 3.08Å; V112-Y137 HydrophobicContact CG1-CD2 4.35Å; V112-L140 HydrophobicContact CG2-CD1 4.28Å
113R93Very high89.7Confident46 Ų4676.3 Ų76.317%0.17436%0.355CS..Hα-helixtrans-60.3-46.4176.2-169.3175.381.4-142.1-3111.6E106 L109 G111 I116 T117 Y137 E182 L185E106-R113 IonicContact OE2-NH1 3.6Å; E106-R113 PolarHBondContact OE2-NH1 3.46Å; L109-R113 VanDerWaalsContact O-CB 3.24Å; L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 PolarHBondContact O-N 3.17Å; G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 2.91Å; R113-I116 PolarHBondContact O-N 3.3Å; R113-T117 VanDerWaalsContact O-CG2 3.31Å; R113-T117 WeakPolarHBondContact O-CG2 3.49Å; R113-T117 PolarHBondContact O-N 2.59Å; R113-T117 PolarHBondContact O-OG1 3.09Å; R113-Y137 HydrophobicContact CB-CE2 4.04Å; R113-Y137 HydrophobicContact CG-CE2 4.33Å; R113-E182 HydrophobicContact CG-CG 4.19Å; R113-E182 IonicContact CZ-OE1 3.12Å; R113-E182 IonicContact NE-OE1 2.78Å; R113-E182 PolarHBondContact NE-OE1 3.27Å; R113-E182 IonicContact NH2-OE1 3.64Å; R113-L185 HydrophobicContact CG-CD1 4.5Å
114R91.7Very high89.2Confident148 Ų14878.7 Ų78.756%0.55836%0.364SS*.Hα-helixtrans-63.5-45.4178.5-75.6171.6-176.4-175.52.5111.5S110 G111 V112 I116 T117 D118S110-R114 WeakPolarHBondContact O-CB 3.03Å; S110-R114 WeakPolarHBondContact O-CG 3.45Å; S110-R114 PolarHBondContact O-N 2.91Å; G111-R114 PolarHBondContact O-N 3.41Å; G111-R114 VanDerWaalsContact O-N 3.1Å; V112-R114 PolarHBondContact O-N 2.93Å; R114-I116 VanDerWaalsContact C-N 3.3Å; R114-I116 PolarHBondContact O-N 3.09Å; R114-T117 WeakPolarHBondContact CA-OG1 3.3Å; R114-T117 PolarHBondContact O-N 2.83Å; R114-T117 PolarHBondContact O-OG1 2.94Å; R114-T117 VanDerWaalsContact O-OG1 3.06Å; R114-D118 VanDerWaalsContact O-CB 3.31Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 PolarHBondContact O-N 3.46Å
115E91.3Very high88.8Confident109 Ų10981.2 Ų81.251%0.50938%0.378SS..Hα-helixtrans-54.2-47176.4-73175.9-161.800111.6G111 V112 N119 Q133G111-E115 PolarHBondContact O-N 2.76Å; V112-E115 PolarHBondContact O-N 3.33Å; E115-N119 WeakPolarHBondContact O-CB 3.42Å; E115-N119 PolarHBondContact O-N 2.98Å; E115-N119 VanDerWaalsContact O-N 3.17Å; E115-Q133 PolarHBondContact OE2-NE2 3.04Å
116I90.8Very high88.5Confident0 Ų081.5 Ų81.50%038%0.38CS..Hα-helixtrans-66.7-45.7178.4-63.8163.6000111.5V112 R113 R114 D118 L130 Q133 I134 Y137 F173 L185V112-I116 HydrophobicContact CG1-CD1 3.98Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.43Å; V112-I116 PolarHBondContact O-N 3.29Å; V112-I116 VanDerWaalsContact O-N 3.08Å; R113-I116 PolarHBondContact O-N 3.3Å; R114-I116 VanDerWaalsContact C-N 3.3Å; R114-I116 PolarHBondContact O-N 3.09Å; I116-D118 PolarHBondContact O-N 3.26Å; I116-L130 HydrophobicContact CB-CD1 4.39Å; I116-L130 HydrophobicContact CG2-CD1 3.91Å; I116-Q133 HydrophobicContact CD1-CB 4.29Å; I116-Q133 HydrophobicContact CG1-CB 3.74Å; I116-I134 HydrophobicContact CD1-CG1 4.26Å; I116-I134 HydrophobicContact CG1-CG1 4.44Å; I116-I134 HydrophobicContact CG2-CD1 4.49Å; I116-I134 HydrophobicContact CG2-CG1 3.9Å; I116-Y137 HydrophobicContact CD1-CD2 4.46Å; I116-Y137 HydrophobicContact CD1-CG 4.12Å; I116-F173 HydrophobicContact CG2-CE1 3.92Å; I116-F173 HydrophobicContact CG2-CZ 3.83Å; I116-L185 HydrophobicContact CB-CD1 4.26Å; I116-L185 HydrophobicContact CD1-CD1 4.33Å; I116-L185 HydrophobicContact CD1-CD2 4.37Å; I116-L185 HydrophobicContact CG2-CD1 3.85Å; I116-L185 HydrophobicContact CG2-CD2 4.15Å; I116-L185 HydrophobicContact CG2-CG 4.41Å
117T90.5Very high88.1Confident5 Ų581.8 Ų81.83%0.03138%0.38CS..Hα-helixtrans-69.5-34.3-174.5560000113.2R113 R114 K178 K181 E182R113-T117 VanDerWaalsContact O-CG2 3.31Å; R113-T117 WeakPolarHBondContact O-CG2 3.49Å; R113-T117 PolarHBondContact O-N 2.59Å; R113-T117 PolarHBondContact O-OG1 3.09Å; R114-T117 WeakPolarHBondContact CA-OG1 3.3Å; R114-T117 PolarHBondContact O-N 2.83Å; R114-T117 PolarHBondContact O-OG1 2.94Å; R114-T117 VanDerWaalsContact O-OG1 3.06Å; T117-K178 HydrophobicContact CG2-CG 4.33Å; T117-K178 WeakPolarHBondContact OG1-CE 3.46Å; T117-K181 HydrophobicContact CG2-CB 4.07Å; T117-K181 PolarHBondContact O-NZ 3.19Å; T117-E182 HydrophobicContact CG2-CG 3.73Å
118D88.6Confident87.7Confident93 Ų9378.3 Ų78.350%0.49737%0.366SS..Hα-helixtrans-92.3-6.4-175.4-59.8-25.3000111.9R114 I116 K178R114-D118 VanDerWaalsContact O-CB 3.31Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 PolarHBondContact O-N 3.46Å; I116-D118 PolarHBondContact O-N 3.26Å; D118-K178 IonicContact OD1-NZ 3.68Å; D118-K178 PolarHBondContact OD1-NZ 3.4Å; D118-K178 IonicContact OD2-NZ 3.73Å; D118-K178 PolarHBondContact OD2-NZ 2.72Å; D118-K178 VanDerWaalsContact OD2-NZ 3.12Å
119N87.6Confident87.5Confident35 Ų3574.6 Ų74.619%0.18736%0.357CS..  trans-60.9135.3176.8-162-42000111.8E115 A121 L130 Q133E115-N119 WeakPolarHBondContact O-CB 3.42Å; E115-N119 PolarHBondContact O-N 2.98Å; E115-N119 VanDerWaalsContact O-N 3.17Å; N119-A121 PolarHBondContact OD1-N 2.81Å; N119-L130 HydrophobicContact CB-CD1 3.89Å; N119-Q133 PolarHBondContact ND2-OE1 3.06Å
120R83.8Confident87.3Confident214 Ų21474.4 Ų74.481%0.80836%0.356SS*.  trans-125.956.5175.2-61.9-162.2-175.9-109.94.8111.1
121A83.4Confident87Confident10 Ų1073.4 Ų73.48%0.08335%0.348CS..  trans-52.1134175.600000111.9N119 D126 L130 L174N119-A121 PolarHBondContact OD1-N 2.81Å; A121-D126 HydrophobicContact CB-CB 3.43Å; A121-D126 VanDerWaalsContact CB-CB 3.43Å; A121-L130 HydrophobicContact CB-CD2 4.48Å; A121-L174 HydrophobicContact CB-CD1 4.07Å
122K81.4Confident86.7Confident187 Ų18775.9 Ų75.981%0.81335%0.35SS*.  trans-128.4-28.4177.9-64.4-179.7-174.6177.70112.5D126K122-D126 PolarHBondContact N-OD2 3.06Å
123S84.5Confident86.6Confident47 Ų4776.5 Ų76.533%0.32935%0.351SS..SBendtrans-94.3159.317887.30000111.8D125 D126 F127S123-D125 PolarHBondContact O-N 2.77Å; S123-D125 PolarHBondContact OG-N 2.96Å; S123-D126 PolarHBondContact N-OD2 2.99Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 3.12Å; S123-D126 VanDerWaalsContact O-N 3.16Å; S123-D126 PolarHBondContact OG-N 3.48Å; S123-D126 PolarHBondContact OG-OD1 3.16Å; S123-D126 PolarHBondContact OG-OD2 3.21Å; S123-F127 WeakPolarHBondContact O-CD2 3.38Å; S123-F127 PolarHBondContact O-N 2.78Å; S123-F127 VanDerWaalsContact O-N 3.11Å
124R81.9Confident86.5Confident193 Ų19374.3 Ų74.373%0.72834%0.342SS*.Hα-helixtrans-58.9-36.3174.2-173.7177.2178176.50.8111.9F127 H128R124-F127 WeakPolarHBondContact O-CB 3.25Å; R124-F127 PolarHBondContact O-N 3.4Å; R124-H128 PolarHBondContact O-CD2 3.24Å; R124-H128 VanDerWaalsContact O-CD2 3.22Å; R124-H128 PolarHBondContact O-N 2.8Å
125D83.1Confident86.3Confident119 Ų11967.3 Ų67.364%0.63632%0.316SS*.Hα-helixtrans-68.6-38.9177.7-64.1-23.2000110.9S123 F127 H128 T129S123-D125 PolarHBondContact O-N 2.77Å; S123-D125 PolarHBondContact OG-N 2.96Å; D125-F127 VanDerWaalsContact C-N 3.29Å; D125-F127 PolarHBondContact O-N 3.17Å; D125-H128 WeakPolarHBondContact O-CB 3.43Å; D125-H128 PolarHBondContact O-N 2.89Å; D125-H128 VanDerWaalsContact O-N 3.13Å; D125-T129 PolarHBondContact O-N 2.78Å; D125-T129 PolarHBondContact O-OG1 2.86Å; D125-T129 VanDerWaalsContact O-OG1 3.1Å
126D84.3Confident86.2Confident64 Ų6464 Ų6434%0.34230%0.303SS..Hα-helixtrans-62.2-37.9175.1-52.7-16.7000111.6A121 K122 S123 T129 L130A121-D126 HydrophobicContact CB-CB 3.43Å; A121-D126 VanDerWaalsContact CB-CB 3.43Å; K122-D126 PolarHBondContact N-OD2 3.06Å; S123-D126 PolarHBondContact N-OD2 2.99Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 3.12Å; S123-D126 VanDerWaalsContact O-N 3.16Å; S123-D126 PolarHBondContact OG-N 3.48Å; S123-D126 PolarHBondContact OG-OD1 3.16Å; S123-D126 PolarHBondContact OG-OD2 3.21Å; D126-T129 PolarHBondContact O-N 2.9Å; D126-L130 WeakPolarHBondContact O-CB 3.25Å; D126-L130 PolarHBondContact O-N 2.83Å
127F83.6Confident86.2Confident48 Ų4864 Ų6421%0.21130%0.303CS..Hα-helixtrans-62.7-42.8174.7-78.3-74.3000111.2S123 R124 D125 L130 Y131 L170 L174S123-F127 WeakPolarHBondContact O-CD2 3.38Å; S123-F127 PolarHBondContact O-N 2.78Å; S123-F127 VanDerWaalsContact O-N 3.11Å; R124-F127 WeakPolarHBondContact O-CB 3.25Å; R124-F127 PolarHBondContact O-N 3.4Å; D125-F127 VanDerWaalsContact C-N 3.29Å; D125-F127 PolarHBondContact O-N 3.17Å; F127-L130 PolarHBondContact O-N 2.75Å; F127-Y131 VanDerWaalsContact O-CB 3.25Å; F127-Y131 WeakPolarHBondContact O-CB 3.44Å; F127-Y131 PolarHBondContact O-N 2.9Å; F127-L170 HydrophobicContact CB-CD2 4.16Å; F127-L170 HydrophobicContact CD1-CB 4.05Å; F127-L170 HydrophobicContact CD1-CD2 3.63Å; F127-L170 HydrophobicContact CD1-CG 3.91Å; F127-L170 HydrophobicContact CE1-CB 4.39Å; F127-L170 HydrophobicContact CE1-CG 4.43Å; F127-L170 HydrophobicContact CG-CD2 4.4Å; F127-L170 WeakPolarHBondContact O-CD2 3.43Å; F127-L174 HydrophobicContact CD1-CD1 4.27Å; F127-L174 HydrophobicContact CE1-CD1 3.43Å; F127-L174 VanDerWaalsContact CE1-CD1 3.43Å; F127-L174 HydrophobicContact CZ-CD1 3.88Å
128H83.8Confident86.2Confident73 Ų7363.8 Ų63.834%0.33830%0.302SS..Hα-helixtrans-63.7-41175-78.9-69.9000112R124 D125 Y131 H132R124-H128 PolarHBondContact O-CD2 3.24Å; R124-H128 VanDerWaalsContact O-CD2 3.22Å; R124-H128 PolarHBondContact O-N 2.8Å; D125-H128 WeakPolarHBondContact O-CB 3.43Å; D125-H128 PolarHBondContact O-N 2.89Å; D125-H128 VanDerWaalsContact O-N 3.13Å; H128-Y131 PolarHBondContact O-N 2.83Å; H128-H132 PolarHBondContact O-CD2 2.95Å; H128-H132 VanDerWaalsContact O-CD2 3.3Å; H128-H132 PolarHBondContact O-N 3.25Å
129T86.9Confident86Confident81 Ų8159.4 Ų59.450%0.49728%0.278SS..Hα-helixtrans-62.7-47.4175.7-51.60000112D125 D126 Y131 H132 Q133D125-T129 PolarHBondContact O-N 2.78Å; D125-T129 PolarHBondContact O-OG1 2.86Å; D125-T129 VanDerWaalsContact O-OG1 3.1Å; D126-T129 PolarHBondContact O-N 2.9Å; T129-Y131 VanDerWaalsContact C-N 3.3Å; T129-Y131 PolarHBondContact O-N 3.08Å; T129-H132 WeakPolarHBondContact O-CB 3.4Å; T129-H132 PolarHBondContact O-N 2.9Å; T129-Q133 WeakPolarHBondContact O-CG 3.47Å; T129-Q133 PolarHBondContact O-N 3.34Å
130L86.9Confident86Confident0 Ų061.2 Ų61.20%029%0.288CS..Hα-helixtrans-59.9-42.6176.8176.858.9000111.5I116 N119 A121 D126 F127 H132 Q133 I134 L170 L174I116-L130 HydrophobicContact CB-CD1 4.39Å; I116-L130 HydrophobicContact CG2-CD1 3.91Å; N119-L130 HydrophobicContact CB-CD1 3.89Å; A121-L130 HydrophobicContact CB-CD2 4.48Å; D126-L130 WeakPolarHBondContact O-CB 3.25Å; D126-L130 PolarHBondContact O-N 2.83Å; F127-L130 PolarHBondContact O-N 2.75Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.46Å; L130-Q133 WeakPolarHBondContact O-CB 3.32Å; L130-Q133 PolarHBondContact O-N 2.83Å; L130-Q133 VanDerWaalsContact O-N 3.16Å; L130-I134 HydrophobicContact CD1-CD1 4.49Å; L130-I134 HydrophobicContact CG-CD1 4.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.17Å; L130-L170 HydrophobicContact CB-CD2 4.34Å; L130-L170 HydrophobicContact CD2-CD1 4.2Å; L130-L170 HydrophobicContact CD2-CD2 4.07Å; L130-L170 HydrophobicContact CD2-CG 4.13Å; L130-L170 HydrophobicContact CG-CD1 4.46Å; L130-L170 HydrophobicContact CG-CD2 4.24Å; L130-L174 HydrophobicContact CD2-CD2 3.57Å; L130-L174 HydrophobicContact CD2-CG 4.13Å
131Y86.4Confident86.2Confident6 Ų652.9 Ų52.92%0.02426%0.256CS..Hα-helixtrans-62.6-40.5177.8-159.9-90.8000111.8F127 H128 T129 I134 I135 N157 L161 Q162 L165 L167 L170F127-Y131 VanDerWaalsContact O-CB 3.25Å; F127-Y131 WeakPolarHBondContact O-CB 3.44Å; F127-Y131 PolarHBondContact O-N 2.9Å; H128-Y131 PolarHBondContact O-N 2.83Å; T129-Y131 VanDerWaalsContact C-N 3.3Å; T129-Y131 PolarHBondContact O-N 3.08Å; Y131-I134 PolarHBondContact O-N 2.84Å; Y131-I135 HydrophobicContact CD1-CD1 3.8Å; Y131-I135 HydrophobicContact CD1-CG1 4.47Å; Y131-I135 HydrophobicContact CE1-CD1 3.91Å; Y131-I135 WeakPolarHBondContact O-CG1 3.48Å; Y131-I135 PolarHBondContact O-N 2.93Å; Y131-N157 WeakPolarHBondContact CE1-OD1 3.34Å; Y131-L161 HydrophobicContact CD1-CD2 4.04Å; Y131-L161 HydrophobicContact CD2-CD2 4.39Å; Y131-L161 HydrophobicContact CE1-CB 4.47Å; Y131-L161 HydrophobicContact CE1-CD2 3.49Å; Y131-L161 VanDerWaalsContact CE1-CD2 3.49Å; Y131-L161 HydrophobicContact CE1-CG 4.06Å; Y131-L161 HydrophobicContact CE2-CD2 3.91Å; Y131-L161 HydrophobicContact CE2-CG 4.11Å; Y131-L161 HydrophobicContact CG-CD2 4.47Å; Y131-L161 VanDerWaalsContact CZ-CD2 3.45Å; Y131-L161 WeakPolarHBondContact OH-CG 3.29Å; Y131-Q162 WeakPolarHBondContact OH-CA 3.4Å; Y131-Q162 PolarHBondContact OH-N 3.26Å; Y131-L165 WeakPolarHBondContact CE2-O 3.31Å; Y131-L165 PolarHBondContact OH-O 3.37Å; Y131-L167 HydrophobicContact CD1-CD1 4.44Å; Y131-L167 HydrophobicContact CD2-CD1 3.77Å; Y131-L167 HydrophobicContact CE2-CD1 4.24Å; Y131-L167 HydrophobicContact CG-CD1 3.85Å; Y131-L170 HydrophobicContact CD2-CD2 4.17Å
132H86.2Confident86.2Confident89 Ų8952.4 Ų52.441%0.41225%0.252SS..Hα-helixtrans-63.4-40.1171.3-87.9-68.7000113.1H128 T129 L130 I134 I135 T136H128-H132 PolarHBondContact O-CD2 2.95Å; H128-H132 VanDerWaalsContact O-CD2 3.3Å; H128-H132 PolarHBondContact O-N 3.25Å; T129-H132 WeakPolarHBondContact O-CB 3.4Å; T129-H132 PolarHBondContact O-N 2.9Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.46Å; H132-I134 VanDerWaalsContact C-N 3.32Å; H132-I134 PolarHBondContact O-N 3.5Å; H132-I135 PolarHBondContact O-N 3.46Å; H132-T136 PolarHBondContact O-N 3.37Å; H132-T136 PolarHBondContact O-OG1 3.35Å; H132-T136 VanDerWaalsContact O-OG1 3.11Å
133Q89.3Confident86.1Confident40 Ų4046.7 Ų46.719%0.18724%0.24CC..Hα-helixtrans-61.8-40.7175-70.7176-44.500111.6E115 I116 N119 T129 L130 T136 Y137E115-Q133 PolarHBondContact OE2-NE2 3.04Å; I116-Q133 HydrophobicContact CD1-CB 4.29Å; I116-Q133 HydrophobicContact CG1-CB 3.74Å; N119-Q133 PolarHBondContact ND2-OE1 3.06Å; T129-Q133 WeakPolarHBondContact O-CG 3.47Å; T129-Q133 PolarHBondContact O-N 3.34Å; L130-Q133 WeakPolarHBondContact O-CB 3.32Å; L130-Q133 PolarHBondContact O-N 2.83Å; L130-Q133 VanDerWaalsContact O-N 3.16Å; Q133-T136 PolarHBondContact O-N 3.01Å; Q133-Y137 PolarHBondContact O-N 3.35Å
134I90.1Very high85.5Confident0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-61.6-44.2174.8-66.7168.7000110.9I116 L130 Y131 H132 T136 Y137 I138 L161 L170 F173 L185I116-I134 HydrophobicContact CD1-CG1 4.26Å; I116-I134 HydrophobicContact CG1-CG1 4.44Å; I116-I134 HydrophobicContact CG2-CD1 4.49Å; I116-I134 HydrophobicContact CG2-CG1 3.9Å; L130-I134 HydrophobicContact CD1-CD1 4.49Å; L130-I134 HydrophobicContact CG-CD1 4.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.17Å; Y131-I134 PolarHBondContact O-N 2.84Å; H132-I134 VanDerWaalsContact C-N 3.32Å; H132-I134 PolarHBondContact O-N 3.5Å; I134-T136 PolarHBondContact O-N 3.23Å; I134-Y137 WeakPolarHBondContact O-CB 3.31Å; I134-Y137 PolarHBondContact O-N 2.99Å; I134-I138 HydrophobicContact CG2-CD1 3.88Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.46Å; I134-L161 HydrophobicContact CG2-CD1 4.4Å; I134-L161 HydrophobicContact CG2-CD2 4.09Å; I134-L170 HydrophobicContact CD1-CD1 3.78Å; I134-F173 HydrophobicContact CD1-CE1 4.36Å; I134-L185 HydrophobicContact CG1-CD2 4.11Å; I134-L185 HydrophobicContact CG2-CD2 4.13Å
135I87.9Confident84.9Confident0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-59.9-47.1175.4-68.8163.7000110.8Y131 H132 Y137 I138 L139 V153 T156 N157 L161Y131-I135 HydrophobicContact CD1-CD1 3.8Å; Y131-I135 HydrophobicContact CD1-CG1 4.47Å; Y131-I135 HydrophobicContact CE1-CD1 3.91Å; Y131-I135 WeakPolarHBondContact O-CG1 3.48Å; Y131-I135 PolarHBondContact O-N 2.93Å; H132-I135 PolarHBondContact O-N 3.46Å; I135-Y137 VanDerWaalsContact C-N 3.32Å; I135-Y137 PolarHBondContact O-N 3.49Å; I135-I138 PolarHBondContact O-N 3.34Å; I135-L139 HydrophobicContact CG2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CG 4.23Å; I135-L139 WeakPolarHBondContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.33Å; I135-L139 PolarHBondContact O-N 3.16Å; I135-V153 HydrophobicContact CG2-CB 4.48Å; I135-V153 HydrophobicContact CG2-CG1 3.97Å; I135-T156 HydrophobicContact CG2-CG2 4.01Å; I135-N157 HydrophobicContact CD1-CB 3.72Å; I135-L161 HydrophobicContact CD1-CD2 4.18Å; I135-L161 HydrophobicContact CG1-CD2 3.48Å; I135-L161 VanDerWaalsContact CG1-CD2 3.48Å
136T88.8Confident84.4Confident41 Ų4135.4 Ų35.425%0.25220%0.204SC..Hα-helixtrans-58.1-44.6177.2-63.40000111.4H132 Q133 I134 I138 L139 L140 P147H132-T136 PolarHBondContact O-N 3.37Å; H132-T136 PolarHBondContact O-OG1 3.35Å; H132-T136 VanDerWaalsContact O-OG1 3.11Å; Q133-T136 PolarHBondContact O-N 3.01Å; I134-T136 PolarHBondContact O-N 3.23Å; T136-I138 PolarHBondContact O-N 2.97Å; T136-L139 PolarHBondContact O-N 2.94Å; T136-L140 HydrophobicContact CG2-CD1 3.85Å; T136-L140 HydrophobicContact CG2-CG 4.36Å; T136-L140 WeakPolarHBondContact O-CB 3.31Å; T136-L140 VanDerWaalsContact O-CG 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.41Å; T136-L140 PolarHBondContact O-N 2.93Å; T136-P147 HydrophobicContact CG2-CB 3.95Å; T136-P147 HydrophobicContact CG2-CG 4.37Å
137Y91.3Very high83.8Confident0 Ų034.4 Ų34.40%020%0.201CC..Hα-helixtrans-59.1-47.6175.9177.5-94.2000112.4L109 V112 R113 I116 Q133 I134 I135 L139 L140 R141 L185L109-Y137 HydrophobicContact CB-CE2 4.06Å; L109-Y137 HydrophobicContact CD1-CE2 4.32Å; L109-Y137 HydrophobicContact CD2-CD2 4.42Å; L109-Y137 HydrophobicContact CD2-CE2 4.49Å; V112-Y137 HydrophobicContact CG1-CD2 4.35Å; R113-Y137 HydrophobicContact CB-CE2 4.04Å; R113-Y137 HydrophobicContact CG-CE2 4.33Å; I116-Y137 HydrophobicContact CD1-CD2 4.46Å; I116-Y137 HydrophobicContact CD1-CG 4.12Å; Q133-Y137 PolarHBondContact O-N 3.35Å; I134-Y137 WeakPolarHBondContact O-CB 3.31Å; I134-Y137 PolarHBondContact O-N 2.99Å; I135-Y137 VanDerWaalsContact C-N 3.32Å; I135-Y137 PolarHBondContact O-N 3.49Å; Y137-L139 PolarHBondContact O-N 3.25Å; Y137-L140 PolarHBondContact O-N 3.05Å; Y137-R141 VanDerWaalsContact O-CB 3.28Å; Y137-R141 WeakPolarHBondContact O-CB 3.28Å; Y137-R141 PolarHBondContact O-N 3.3Å; Y137-R141 PolarHBondContact OH-NH1 3.49Å; Y137-L185 HydrophobicContact CD1-CB 4.42Å; Y137-L185 HydrophobicContact CD1-CD2 4.24Å; Y137-L185 HydrophobicContact CE1-CB 3.95Å
138I89.7Confident83.4Confident0 Ų036.3 Ų36.30%023%0.225CC..Hα-helixtrans-62.8-43.8179.6-67.7168.4000110.5I134 I135 T136 R141 S142 L161 L188 T189 V192I134-I138 HydrophobicContact CG2-CD1 3.88Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.46Å; I135-I138 PolarHBondContact O-N 3.34Å; T136-I138 PolarHBondContact O-N 2.97Å; I138-R141 PolarHBondContact O-N 2.9Å; I138-S142 VanDerWaalsContact O-CB 3.29Å; I138-S142 WeakPolarHBondContact O-CB 3.49Å; I138-S142 PolarHBondContact O-N 3.45Å; I138-S142 PolarHBondContact O-OG 3.29Å; I138-L161 HydrophobicContact CD1-CD1 4.01Å; I138-L188 HydrophobicContact CD1-CB 4.35Å; I138-T189 HydrophobicContact CG2-CG2 4.37Å; I138-V192 HydrophobicContact CD1-CB 4.22Å; I138-V192 HydrophobicContact CD1-CG1 4.22Å; I138-V192 HydrophobicContact CD1-CG2 4.22Å; I138-V192 HydrophobicContact CG2-CB 4.23Å; I138-V192 HydrophobicContact CG2-CG1 3.9Å
139L86Confident83Confident0 Ų037 Ų370%023%0.231CC..Hα-helixtrans-63.1-46.6179.3-74169.6000112.3I135 T136 Y137 S142 A143 I144 P147 V153I135-L139 HydrophobicContact CG2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CG 4.23Å; I135-L139 WeakPolarHBondContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.33Å; I135-L139 PolarHBondContact O-N 3.16Å; T136-L139 PolarHBondContact O-N 2.94Å; Y137-L139 PolarHBondContact O-N 3.25Å; L139-S142 PolarHBondContact O-N 3.21Å; L139-A143 WeakPolarHBondContact O-CA 3.45Å; L139-A143 PolarHBondContact O-N 3.11Å; L139-I144 VanDerWaalsContact CD2-O 3.22Å; L139-I144 WeakPolarHBondContact CD2-O 3.38Å; L139-P147 HydrophobicContact CD1-CB 4.33Å; L139-V153 HydrophobicContact CD1-CG2 3.99Å
140L87.1Confident82.4Confident73 Ų7339.5 Ų39.538%0.38224%0.235SC..Hα-helixtrans-65.1-40.6177.9-70.4173.3000111.7L109 V112 T136 Y137 P147L109-L140 HydrophobicContact CD2-CB 3.61Å; L109-L140 HydrophobicContact CD2-CD1 4.45Å; V112-L140 HydrophobicContact CG2-CD1 4.28Å; T136-L140 HydrophobicContact CG2-CD1 3.85Å; T136-L140 HydrophobicContact CG2-CG 4.36Å; T136-L140 WeakPolarHBondContact O-CB 3.31Å; T136-L140 VanDerWaalsContact O-CG 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.41Å; T136-L140 PolarHBondContact O-N 2.93Å; Y137-L140 PolarHBondContact O-N 3.05Å; L140-P147 HydrophobicContact CD2-CG 3.93Å; L140-P147 HydrophobicContact CG-CG 4.25Å
141R88.2Confident81.7Confident39 Ų3944.9 Ų44.915%0.14726%0.264CS..Hα-helixtrans-70.4-35.3178.9-172.3167.4-176.7125.218.9112.5E106 L109 Y137 I138 T189E106-R141 IonicContact OE1-CZ 3.08Å; E106-R141 IonicContact OE1-NH1 3.04Å; E106-R141 PolarHBondContact OE1-NH1 2.83Å; E106-R141 IonicContact OE1-NH2 2.68Å; E106-R141 PolarHBondContact OE1-NH2 3.44Å; E106-R141 IonicContact OE2-NH1 3.32Å; L109-R141 HydrophobicContact CD1-CB 3.77Å; L109-R141 HydrophobicContact CD1-CG 3.86Å; Y137-R141 VanDerWaalsContact O-CB 3.28Å; Y137-R141 WeakPolarHBondContact O-CB 3.28Å; Y137-R141 PolarHBondContact O-N 3.3Å; Y137-R141 PolarHBondContact OH-NH1 3.49Å; I138-R141 PolarHBondContact O-N 2.9Å; R141-T189 HydrophobicContact CB-CG2 4.09Å; R141-T189 HydrophobicContact CG-CG2 3.95Å
142S83.1Confident81Confident0 Ų046.1 Ų46.10%027%0.274CS..Hα-helixtrans-87.5-17.1-177.982.20000114.2I138 L139 I144 T193 W332 Q336I138-S142 VanDerWaalsContact O-CB 3.29Å; I138-S142 WeakPolarHBondContact O-CB 3.49Å; I138-S142 PolarHBondContact O-N 3.45Å; I138-S142 PolarHBondContact O-OG 3.29Å; L139-S142 PolarHBondContact O-N 3.21Å; S142-I144 WeakPolarHBondContact O-CG1 3.33Å; S142-I144 PolarHBondContact O-N 2.97Å; S142-I144 VanDerWaalsContact O-N 3.14Å; S142-I144 PolarHBondContact OG-N 3.38Å; S142-T193 WeakPolarHBondContact CB-OG1 3.21Å; S142-W332 PolarHBondContact O-NE1 3.12Å; S142-Q336 PolarHBondContact O-NE2 3.41Å
143A79.2Confident80.5Confident68 Ų6842.5 Ų42.556%0.56226%0.258SS*.THydrogen-bonded Turntrans49.232.9-171.100000113.5L139L139-A143 WeakPolarHBondContact O-CA 3.45Å; L139-A143 PolarHBondContact O-N 3.11Å
144I72.4Confident79.7Confident33 Ų3345.2 Ų45.217%0.16927%0.27CS..SBendtrans-105.588.2174.7-57.8-177.7000107.5L139 S142 T193 R196 I197 W332L139-I144 VanDerWaalsContact CD2-O 3.22Å; L139-I144 WeakPolarHBondContact CD2-O 3.38Å; S142-I144 WeakPolarHBondContact O-CG1 3.33Å; S142-I144 PolarHBondContact O-N 2.97Å; S142-I144 VanDerWaalsContact O-N 3.14Å; S142-I144 PolarHBondContact OG-N 3.38Å; I144-T193 HydrophobicContact CD1-CG2 3.77Å; I144-R196 VanDerWaalsContact O-CZ 3.28Å; I144-R196 PolarHBondContact O-NH1 3.42Å; I144-R196 PolarHBondContact O-NH2 2.94Å; I144-I197 HydrophobicContact CD1-CD1 3.73Å; I144-I197 HydrophobicContact CD1-CG1 3.34Å; I144-W332 HydrophobicContact CD1-CD2 4.4Å; I144-W332 HydrophobicContact CD1-CZ2 4.15Å; I144-W332 HydrophobicContact CG1-CZ2 3.74Å
145G68Low78.8Confident41 Ų4148.9 Ų48.942%0.42329%0.29SS..SBendtrans87.4163.5-178.300000114
146S72.8Confident78.2Confident47 Ų4748.9 Ų48.933%0.32929%0.29SS..  trans-95138.2-179.51780000111A148 N149S146-A148 PolarHBondContact O-N 2.94Å; S146-A148 WeakPolarHBondContact OG-CB 3.48Å; S146-A148 PolarHBondContact OG-N 3.13Å; S146-A148 VanDerWaalsContact OG-N 3.17Å; S146-N149 PolarHBondContact O-N 3.3Å
147P72.7Confident77.6Confident44 Ų4449.1 Ų49.129%0.28629%0.29SS..THydrogen-bonded Turntrans-65.2-14.9170.928.2-34.1000113T136 L139 L140 N149T136-P147 HydrophobicContact CG2-CB 3.95Å; T136-P147 HydrophobicContact CG2-CG 4.37Å; L139-P147 HydrophobicContact CD1-CB 4.33Å; L140-P147 HydrophobicContact CD2-CG 3.93Å; L140-P147 HydrophobicContact CG-CG 4.25Å; P147-N149 VanDerWaalsContact C-N 3.29Å
148A73.9Confident76.4Confident87 Ų8752.3 Ų52.372%0.71932%0.316SS*.THydrogen-bonded Turntrans-75.1-18.9172.600000112.9S146 F150S146-A148 PolarHBondContact O-N 2.94Å; S146-A148 WeakPolarHBondContact OG-CB 3.48Å; S146-A148 PolarHBondContact OG-N 3.13Å; S146-A148 VanDerWaalsContact OG-N 3.17Å; A148-F150 PolarHBondContact O-N 2.78Å
149N75.1Confident75.1Confident88 Ų8854.4 Ų54.447%0.47133%0.333SS..  trans-88.1107.1-178.5-68.6-11.8000110.1S146 P147 N151 C152 V153S146-N149 PolarHBondContact O-N 3.3Å; P147-N149 VanDerWaalsContact C-N 3.29Å; N149-N151 VanDerWaalsContact C-N 3.3Å; N149-N151 PolarHBondContact O-N 3.1Å; N149-C152 HydrophobicContact CB-CB 3.98Å; N149-C152 WeakPolarHBondContact O-CB 3.42Å; N149-C152 PolarHBondContact O-N 2.83Å; N149-V153 PolarHBondContact O-N 2.87Å; N149-V153 VanDerWaalsContact O-N 3.17Å
150F75.3Confident74.5Confident133 Ų13354.4 Ų54.458%0.58333%0.333SS*.Hα-helixtrans-52.7-43.9-178.6-176.7-103.2000113.4A148 C152 V153 Q154A148-F150 PolarHBondContact O-N 2.78Å; F150-C152 VanDerWaalsContact C-N 3.32Å; F150-C152 PolarHBondContact O-N 2.64Å; F150-V153 PolarHBondContact O-N 3.17Å; F150-Q154 HydrophobicContact CD1-CG 4.17Å; F150-Q154 HydrophobicContact CE1-CG 3.83Å; F150-Q154 HydrophobicContact CE2-CG 4.37Å; F150-Q154 VanDerWaalsContact CZ-CD 3.48Å; F150-Q154 HydrophobicContact CZ-CG 3.94Å; F150-Q154 PolarHBondContact O-N 3.33Å
151N72.6Confident74.2Confident114 Ų11450.9 Ų50.961%0.6132%0.315SS*.Hα-helixtrans-62.9-36.6178.1-63.6-9.6000112.5N149 Q154 D155N149-N151 VanDerWaalsContact C-N 3.3Å; N149-N151 PolarHBondContact O-N 3.1Å; N151-Q154 PolarHBondContact O-N 3.45Å; N151-D155 WeakPolarHBondContact O-CB 3.47Å; N151-D155 PolarHBondContact O-N 2.88Å
152C72Confident73.7Confident32 Ų3254.5 Ų54.522%0.21633%0.333CS..Hα-helixtrans-66.9-38.6176.2-72.80000111.6N149 F150 T156N149-C152 HydrophobicContact CB-CB 3.98Å; N149-C152 WeakPolarHBondContact O-CB 3.42Å; N149-C152 PolarHBondContact O-N 2.83Å; F150-C152 VanDerWaalsContact C-N 3.32Å; F150-C152 PolarHBondContact O-N 2.64Å; C152-T156 WeakPolarHBondContact O-CB 3.49Å; C152-T156 PolarHBondContact O-N 3.41Å; C152-T156 PolarHBondContact O-OG1 2.89Å
153V75.9Confident73.5Confident13 Ų1358.3 Ų58.38%0.07936%0.36CS..Hα-helixtrans-67.2-44.2176.7176.30000110.4I135 L139 N149 F150 T156 N157I135-V153 HydrophobicContact CG2-CB 4.48Å; I135-V153 HydrophobicContact CG2-CG1 3.97Å; L139-V153 HydrophobicContact CD1-CG2 3.99Å; N149-V153 PolarHBondContact O-N 2.87Å; N149-V153 VanDerWaalsContact O-N 3.17Å; F150-V153 PolarHBondContact O-N 3.17Å; V153-T156 PolarHBondContact O-N 3.2Å; V153-N157 VanDerWaalsContact O-CB 3.3Å; V153-N157 WeakPolarHBondContact O-CB 3.46Å; V153-N157 PolarHBondContact O-N 3.23Å
154Q72.4Confident73.5Confident97 Ų9756.6 Ų56.645%0.45334%0.343SS..Hα-helixtrans-64.1-45.3176.5-73.7-163-3500112.6F150 N151 T156 N157 A158F150-Q154 HydrophobicContact CD1-CG 4.17Å; F150-Q154 HydrophobicContact CE1-CG 3.83Å; F150-Q154 HydrophobicContact CE2-CG 4.37Å; F150-Q154 VanDerWaalsContact CZ-CD 3.48Å; F150-Q154 HydrophobicContact CZ-CG 3.94Å; F150-Q154 PolarHBondContact O-N 3.33Å; N151-Q154 PolarHBondContact O-N 3.45Å; Q154-T156 VanDerWaalsContact C-N 3.31Å; Q154-T156 PolarHBondContact O-N 3.09Å; Q154-N157 WeakPolarHBondContact O-CB 3.29Å; Q154-N157 PolarHBondContact O-N 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.48Å; Q154-A158 PolarHBondContact O-N 3.4Å
155D71.1Confident73.9Confident76 Ų7655.4 Ų55.441%0.40634%0.336SS..Hα-helixtrans-61.7-40.4176.2-84.514.3000111.4N151 A159 K203N151-D155 WeakPolarHBondContact O-CB 3.47Å; N151-D155 PolarHBondContact O-N 2.88Å; D155-A159 WeakPolarHBondContact O-CA 3.49Å; D155-A159 WeakPolarHBondContact O-CB 3.48Å; D155-A159 PolarHBondContact O-N 3.37Å; D155-K203 IonicContact OD2-NZ 3.19Å; D155-K203 PolarHBondContact OD2-NZ 2.91Å
156T75.1Confident74.6Confident0 Ų055.6 Ų55.60%033%0.33CS..Hα-helixtrans-67.1-40.3177.5-53.20000111.4I135 C152 V153 Q154 A160 L161 V192 R196I135-T156 HydrophobicContact CG2-CG2 4.01Å; C152-T156 WeakPolarHBondContact O-CB 3.49Å; C152-T156 PolarHBondContact O-N 3.41Å; C152-T156 PolarHBondContact O-OG1 2.89Å; V153-T156 PolarHBondContact O-N 3.2Å; Q154-T156 VanDerWaalsContact C-N 3.31Å; Q154-T156 PolarHBondContact O-N 3.09Å; T156-A160 PolarHBondContact O-N 2.74Å; T156-L161 PolarHBondContact O-N 2.73Å; T156-V192 HydrophobicContact CG2-CG1 3.94Å; T156-R196 VanDerWaalsContact OG1-CZ 3.23Å; T156-R196 PolarHBondContact OG1-NE 2.93Å
157N75.8Confident74.8Confident47 Ų4755.8 Ų55.825%0.25133%0.328SS..Iπ-helixtrans-62.8-60.4177.1-173.3-2.1000111Y131 I135 V153 Q154 Q162Y131-N157 WeakPolarHBondContact CE1-OD1 3.34Å; I135-N157 HydrophobicContact CD1-CB 3.72Å; V153-N157 VanDerWaalsContact O-CB 3.3Å; V153-N157 WeakPolarHBondContact O-CB 3.46Å; V153-N157 PolarHBondContact O-N 3.23Å; Q154-N157 WeakPolarHBondContact O-CB 3.29Å; Q154-N157 PolarHBondContact O-N 3.29Å; N157-Q162 VanDerWaalsContact O-CB 3.32Å; N157-Q162 WeakPolarHBondContact O-CB 3.42Å; N157-Q162 PolarHBondContact O-N 2.77Å
158A65.6Low75.1Confident67 Ų6760.8 Ų60.855%0.55435%0.352SS*.Iπ-helixtrans-74.4-39-171.700000113.2Q154Q154-A158 WeakPolarHBondContact O-CB 3.48Å; Q154-A158 PolarHBondContact O-N 3.4Å
159A62.8Low75.5Confident43 Ų4360.7 Ų60.736%0.35534%0.339SS..Iπ-helixtrans-91.2-13.2-169.900000114.3D155 I195 N199D155-A159 WeakPolarHBondContact O-CA 3.49Å; D155-A159 WeakPolarHBondContact O-CB 3.48Å; D155-A159 PolarHBondContact O-N 3.37Å; A159-I195 VanDerWaalsContact O-CG2 3.28Å; A159-I195 WeakPolarHBondContact O-CG2 3.49Å; A159-N199 PolarHBondContact O-ND2 3.36Å
160A73.8Confident75.8Confident0 Ų056.5 Ų56.50%032%0.317CS..Iπ-helixtrans-145.3-48.8-172.200000115.3T156 S163 V164 V192 I195 R196T156-A160 PolarHBondContact O-N 2.74Å; A160-S163 PolarHBondContact O-OG 3.07Å; A160-V164 WeakPolarHBondContact O-CG2 3.31Å; A160-V192 HydrophobicContact CB-CB 4.39Å; A160-V192 HydrophobicContact CB-CG1 3.7Å; A160-I195 HydrophobicContact CB-CB 3.89Å; A160-I195 HydrophobicContact CB-CD1 4.49Å; A160-I195 HydrophobicContact CB-CG2 3.69Å; A160-R196 HydrophobicContact CB-CG 3.84Å
161L79.6Confident76.2Confident0 Ų051.7 Ų51.70%030%0.304CS..Iπ-helixtrans-73.2-42-176.2-17163.5000111.5Y131 I134 I135 I138 T156 S163 V164 L165 L188 V192Y131-L161 HydrophobicContact CD1-CD2 4.04Å; Y131-L161 HydrophobicContact CD2-CD2 4.39Å; Y131-L161 HydrophobicContact CE1-CB 4.47Å; Y131-L161 HydrophobicContact CE1-CD2 3.49Å; Y131-L161 VanDerWaalsContact CE1-CD2 3.49Å; Y131-L161 HydrophobicContact CE1-CG 4.06Å; Y131-L161 HydrophobicContact CE2-CD2 3.91Å; Y131-L161 HydrophobicContact CE2-CG 4.11Å; Y131-L161 HydrophobicContact CG-CD2 4.47Å; Y131-L161 VanDerWaalsContact CZ-CD2 3.45Å; Y131-L161 WeakPolarHBondContact OH-CG 3.29Å; I134-L161 HydrophobicContact CG2-CD1 4.4Å; I134-L161 HydrophobicContact CG2-CD2 4.09Å; I135-L161 HydrophobicContact CD1-CD2 4.18Å; I135-L161 HydrophobicContact CG1-CD2 3.48Å; I135-L161 VanDerWaalsContact CG1-CD2 3.48Å; I138-L161 HydrophobicContact CD1-CD1 4.01Å; T156-L161 PolarHBondContact O-N 2.73Å; L161-S163 PolarHBondContact O-N 3.03Å; L161-V164 PolarHBondContact O-N 3.32Å; L161-V164 VanDerWaalsContact O-N 3.09Å; L161-L165 HydrophobicContact CD1-CB 4.24Å; L161-L165 CarbonylContact O-C 3.5Å; L161-L165 PolarHBondContact O-N 3.06Å; L161-L188 HydrophobicContact CD1-CD2 4.4Å; L161-V192 HydrophobicContact CB-CG2 4.39Å; L161-V192 HydrophobicContact CD1-CG2 3.77Å
162Q79.5Confident76.8Confident114 Ų11449.5 Ų49.553%0.53330%0.302SS..Hα-helixtrans-63.5-27.2-179.6-172.8175.6-3.700113.5Y131 N157Y131-Q162 WeakPolarHBondContact OH-CA 3.4Å; Y131-Q162 PolarHBondContact OH-N 3.26Å; N157-Q162 VanDerWaalsContact O-CB 3.32Å; N157-Q162 WeakPolarHBondContact O-CB 3.42Å; N157-Q162 PolarHBondContact O-N 2.77Å
163S77.2Confident77.5Confident81 Ų8148 Ų4857%0.56629%0.292SS*.Hα-helixtrans-78.9-19.8177.460.50000113.6A160 L161A160-S163 PolarHBondContact O-OG 3.07Å; L161-S163 PolarHBondContact O-N 3.03Å
164V79.3Confident78Confident32 Ų3248.9 Ų48.919%0.19430%0.296CS..Hα-helixtrans-107.3-36.2-177.3-177.90000111.9A160 L161 L188 I191 I195 F322A160-V164 WeakPolarHBondContact O-CG2 3.31Å; L161-V164 PolarHBondContact O-N 3.32Å; L161-V164 VanDerWaalsContact O-N 3.09Å; V164-L188 HydrophobicContact CG1-CD2 3.76Å; V164-I191 HydrophobicContact CG1-CB 4.45Å; V164-I191 HydrophobicContact CG1-CD1 4.22Å; V164-I191 HydrophobicContact CG1-CG2 4.17Å; V164-I191 HydrophobicContact CG2-CG2 3.59Å; V164-I195 HydrophobicContact CG2-CD1 3.56Å; V164-F322 HydrophobicContact CG2-CE1 4.33Å
165L81.6Confident78.8Confident7 Ų750.3 Ų50.34%0.03731%0.311CS..SBendtrans-137.588.1177.7-17571.5000109.4Y131 L161 D169 L170 L188Y131-L165 WeakPolarHBondContact CE2-O 3.31Å; Y131-L165 PolarHBondContact OH-O 3.37Å; L161-L165 HydrophobicContact CD1-CB 4.24Å; L161-L165 CarbonylContact O-C 3.5Å; L161-L165 PolarHBondContact O-N 3.06Å; L165-D169 HydrophobicContact CD1-CB 4.01Å; L165-L170 HydrophobicContact CD2-CD1 4.08Å; L165-L188 HydrophobicContact CB-CD2 4.03Å; L165-L188 HydrophobicContact CD2-CD1 3.93Å
166P82.4Confident79.7Confident45 Ų4549.7 Ų49.729%0.29231%0.307SS..  trans-56.5150.8169.4-23.632.9000112.1N168 D169P166-N168 PolarHBondContact O-N 3.39Å; P166-N168 VanDerWaalsContact O-N 3.09Å; P166-D169 WeakPolarHBondContact CD-OD2 3.48Å; P166-D169 PolarHBondContact O-N 3.03Å
167L78.3Confident80.5Confident52 Ų5255.6 Ų55.627%0.27234%0.338SS..G310 helixtrans-56-31.6179.5-155.684.7000112.6Y131 D169 L170Y131-L167 HydrophobicContact CD1-CD1 4.44Å; Y131-L167 HydrophobicContact CD2-CD1 3.77Å; Y131-L167 HydrophobicContact CE2-CD1 4.24Å; Y131-L167 HydrophobicContact CG-CD1 3.85Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.86Å; L167-L170 VanDerWaalsContact O-CB 3.27Å; L167-L170 WeakPolarHBondContact O-CB 3.42Å; L167-L170 PolarHBondContact O-N 2.82Å
168N78.5Confident81.2Confident149 Ų14957.7 Ų57.780%0.79735%0.345SS*.G310 helixtrans-67.4-28.2178.8-64-14.3000112.8P166 L170P166-N168 PolarHBondContact O-N 3.39Å; P166-N168 VanDerWaalsContact O-N 3.09Å; N168-L170 VanDerWaalsContact C-N 3.3Å
169D81.3Confident82.4Confident85 Ų8562.4 Ų62.446%0.45535%0.353SS..G310 helixtrans-86.9-5.5-178.3-63.7-22000112.1L165 P166 L167 G171 A172 F173L165-D169 HydrophobicContact CD1-CB 4.01Å; P166-D169 WeakPolarHBondContact CD-OD2 3.48Å; P166-D169 PolarHBondContact O-N 3.03Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.86Å; D169-G171 PolarHBondContact O-N 3.14Å; D169-A172 WeakPolarHBondContact O-CB 3.45Å; D169-A172 PolarHBondContact O-N 2.83Å; D169-F173 PolarHBondContact O-N 3.35Å
170L82.8Confident83.7Confident0 Ų063.9 Ų63.90%036%0.355CS..Hα-helixtrans-65.2-23.5176.8-164.562.3000112.1F127 L130 Y131 I134 L165 L167 N168 F173 L174F127-L170 HydrophobicContact CB-CD2 4.16Å; F127-L170 HydrophobicContact CD1-CB 4.05Å; F127-L170 HydrophobicContact CD1-CD2 3.63Å; F127-L170 HydrophobicContact CD1-CG 3.91Å; F127-L170 HydrophobicContact CE1-CB 4.39Å; F127-L170 HydrophobicContact CE1-CG 4.43Å; F127-L170 HydrophobicContact CG-CD2 4.4Å; F127-L170 WeakPolarHBondContact O-CD2 3.43Å; L130-L170 HydrophobicContact CB-CD2 4.34Å; L130-L170 HydrophobicContact CD2-CD1 4.2Å; L130-L170 HydrophobicContact CD2-CD2 4.07Å; L130-L170 HydrophobicContact CD2-CG 4.13Å; L130-L170 HydrophobicContact CG-CD1 4.46Å; L130-L170 HydrophobicContact CG-CD2 4.24Å; Y131-L170 HydrophobicContact CD2-CD2 4.17Å; I134-L170 HydrophobicContact CD1-CD1 3.78Å; L165-L170 HydrophobicContact CD2-CD1 4.08Å; L167-L170 VanDerWaalsContact O-CB 3.27Å; L167-L170 WeakPolarHBondContact O-CB 3.42Å; L167-L170 PolarHBondContact O-N 2.82Å; N168-L170 VanDerWaalsContact C-N 3.3Å; L170-F173 HydrophobicContact CD1-CB 4.21Å; L170-F173 HydrophobicContact CD1-CD1 4.16Å; L170-F173 HydrophobicContact CD1-CG 4.33Å; L170-F173 WeakPolarHBondContact O-CB 3.49Å; L170-F173 PolarHBondContact O-N 3Å; L170-L174 PolarHBondContact O-N 3.01Å
171G83.1Confident84.6Confident31 Ų3164.6 Ų64.632%0.3236%0.358SS..Hα-helixtrans-61.6-40.7170.500000112.7D169 F173 L174D169-G171 PolarHBondContact O-N 3.14Å; G171-F173 VanDerWaalsContact C-N 3.35Å; G171-L174 PolarHBondContact O-N 3.42Å
172A85.1Confident85.1Confident68 Ų6866.8 Ų66.856%0.56237%0.369SS*.Hα-helixtrans-67.5-36.6176.900000111.7D169 L174 V175D169-A172 WeakPolarHBondContact O-CB 3.45Å; D169-A172 PolarHBondContact O-N 2.83Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.39Å; A172-V175 PolarHBondContact O-N 2.92Å
173F86.8Confident85.7Confident1 Ų166 Ų660%0.00437%0.365CS..Hα-helixtrans-59.9-41.7173.8176.7-92.7000112.3I116 I134 D169 L170 G171 V175 L176 K181 Q184 L185I116-F173 HydrophobicContact CG2-CE1 3.92Å; I116-F173 HydrophobicContact CG2-CZ 3.83Å; I134-F173 HydrophobicContact CD1-CE1 4.36Å; D169-F173 PolarHBondContact O-N 3.35Å; L170-F173 HydrophobicContact CD1-CB 4.21Å; L170-F173 HydrophobicContact CD1-CD1 4.16Å; L170-F173 HydrophobicContact CD1-CG 4.33Å; L170-F173 WeakPolarHBondContact O-CB 3.49Å; L170-F173 PolarHBondContact O-N 3Å; G171-F173 VanDerWaalsContact C-N 3.35Å; F173-V175 VanDerWaalsContact C-N 3.28Å; F173-V175 PolarHBondContact O-N 2.65Å; F173-L176 WeakPolarHBondContact O-CB 3.22Å; F173-L176 PolarHBondContact O-N 3.46Å; F173-K181 HydrophobicContact CE1-CD 4.26Å; F173-K181 HydrophobicContact CE1-CG 4.32Å; F173-K181 HydrophobicContact CE2-CB 4.2Å; F173-K181 HydrophobicContact CE2-CG 4.29Å; F173-K181 HydrophobicContact CZ-CB 3.97Å; F173-K181 HydrophobicContact CZ-CD 4.38Å; F173-K181 HydrophobicContact CZ-CG 4.05Å; F173-K181 WeakPolarHBondContact O-CE 3.46Å; F173-Q184 HydrophobicContact CD2-CG 4.3Å; F173-Q184 VanDerWaalsContact CD2-OE1 3.24Å; F173-Q184 HydrophobicContact CE2-CB 4.33Å; F173-Q184 HydrophobicContact CE2-CG 4.46Å; F173-L185 HydrophobicContact CE2-CG 4.35Å; F173-L185 HydrophobicContact CZ-CD2 4.37Å; F173-L185 HydrophobicContact CZ-CG 4.21Å
174L87.1Confident86.4Confident32 Ų3264.9 Ų64.917%0.16835%0.351CS..Hα-helixtrans-64.9-30-177.4-76.6173.6000113.9A121 F127 L130 L170 G171 A172 L176 K181A121-L174 HydrophobicContact CB-CD1 4.07Å; F127-L174 HydrophobicContact CD1-CD1 4.27Å; F127-L174 HydrophobicContact CE1-CD1 3.43Å; F127-L174 VanDerWaalsContact CE1-CD1 3.43Å; F127-L174 HydrophobicContact CZ-CD1 3.88Å; L130-L174 HydrophobicContact CD2-CD2 3.57Å; L130-L174 HydrophobicContact CD2-CG 4.13Å; L170-L174 PolarHBondContact O-N 3.01Å; G171-L174 PolarHBondContact O-N 3.42Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.39Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-K181 VanDerWaalsContact O-CE 3.25Å; L174-K181 WeakPolarHBondContact O-CE 3.37Å; L174-K181 PolarHBondContact O-NZ 2.89Å
175V88.8Confident87Confident126 Ų12663.4 Ų63.476%0.76434%0.342SS*.Hα-helixtrans-74.1-21.8-178.8177.30000112.3A172 F173A172-V175 PolarHBondContact O-N 2.92Å; F173-V175 VanDerWaalsContact C-N 3.28Å; F173-V175 PolarHBondContact O-N 2.65Å
176L89.7Confident87.4Confident63 Ų6366.7 Ų66.733%0.3336%0.356SS..SBendtrans-64.1152.1-178.1-66.1179.1000113.1F173 L174 D180 K181F173-L176 WeakPolarHBondContact O-CB 3.22Å; F173-L176 PolarHBondContact O-N 3.46Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L176-D180 HydrophobicContact CB-CB 4.12Å; L176-D180 HydrophobicContact CD1-CB 4.43Å; L176-D180 HydrophobicContact CD2-CB 4.4Å; L176-K181 HydrophobicContact CB-CG 3.78Å; L176-K181 WeakPolarHBondContact O-CE 3.37Å
177L91.4Very high87.9Confident124 Ų12467.8 Ų67.865%0.64936%0.357SS*.  trans-66.8156170.7-62.7174.6000110.1K179 D180 K181L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.99Å; L177-D180 PolarHBondContact O-N 3.33Å; L177-K181 PolarHBondContact O-N 3.28Å
178K90.1Very high88.5Confident91 Ų9165.7 Ų65.740%0.39635%0.346SS..Hα-helixtrans-51.2-44.4-178.4-178.8161.9-170.6152.40113.1T117 D118 D180 K181 E182T117-K178 HydrophobicContact CG2-CG 4.33Å; T117-K178 WeakPolarHBondContact OG1-CE 3.46Å; D118-K178 IonicContact OD1-NZ 3.68Å; D118-K178 PolarHBondContact OD1-NZ 3.4Å; D118-K178 IonicContact OD2-NZ 3.73Å; D118-K178 PolarHBondContact OD2-NZ 2.72Å; D118-K178 VanDerWaalsContact OD2-NZ 3.12Å; K178-D180 VanDerWaalsContact C-N 3.34Å; K178-D180 PolarHBondContact O-N 3.46Å; K178-K181 PolarHBondContact O-N 2.89Å; K178-E182 WeakPolarHBondContact O-CG 3.43Å; K178-E182 PolarHBondContact O-N 3.37Å
179K90.6Very high89.1Confident166 Ų16658.6 Ų58.672%0.72231%0.308SS*.Hα-helixtrans-63.2-39.7178.5-171.7-178.1177.5-174.90112.3L177 E182 Q183L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.99Å; K179-E182 PolarHBondContact O-N 3.49Å; K179-Q183 PolarHBondContact O-N 3.42Å
180D91.4Very high89.6Confident75 Ų7556.7 Ų56.740%0.40130%0.297SS..Hα-helixtrans-74-36.4-179.3-58.2-31.3000111.1L176 L177 K178 Q183 Q184L176-D180 HydrophobicContact CB-CB 4.12Å; L176-D180 HydrophobicContact CD1-CB 4.43Å; L176-D180 HydrophobicContact CD2-CB 4.4Å; L177-D180 PolarHBondContact O-N 3.33Å; K178-D180 VanDerWaalsContact C-N 3.34Å; K178-D180 PolarHBondContact O-N 3.46Å; D180-Q183 PolarHBondContact O-N 3Å; D180-Q184 WeakPolarHBondContact O-CB 3.32Å; D180-Q184 PolarHBondContact O-N 3.02Å
181K91.8Very high90Very high14 Ų1457.3 Ų57.36%0.06130%0.3CS..Hα-helixtrans-58.7-45.7169.2-69.9-177.9176.3175.40111.5T117 F173 L174 L176 L177 K178 Q183 Q184 L185T117-K181 HydrophobicContact CG2-CB 4.07Å; T117-K181 PolarHBondContact O-NZ 3.19Å; F173-K181 HydrophobicContact CE1-CD 4.26Å; F173-K181 HydrophobicContact CE1-CG 4.32Å; F173-K181 HydrophobicContact CE2-CB 4.2Å; F173-K181 HydrophobicContact CE2-CG 4.29Å; F173-K181 HydrophobicContact CZ-CB 3.97Å; F173-K181 HydrophobicContact CZ-CD 4.38Å; F173-K181 HydrophobicContact CZ-CG 4.05Å; F173-K181 WeakPolarHBondContact O-CE 3.46Å; L174-K181 VanDerWaalsContact O-CE 3.25Å; L174-K181 WeakPolarHBondContact O-CE 3.37Å; L174-K181 PolarHBondContact O-NZ 2.89Å; L176-K181 HydrophobicContact CB-CG 3.78Å; L176-K181 WeakPolarHBondContact O-CE 3.37Å; L177-K181 PolarHBondContact O-N 3.28Å; K178-K181 PolarHBondContact O-N 2.89Å; K181-Q183 PolarHBondContact O-N 3.18Å; K181-Q184 PolarHBondContact O-N 2.79Å; K181-L185 WeakPolarHBondContact O-CB 3.33Å; K181-L185 WeakPolarHBondContact O-CG 3.23Å; K181-L185 PolarHBondContact O-N 3.3Å
182E91.3Very high90.2Very high47 Ų4755.9 Ų55.922%0.2229%0.285CS..Hα-helixtrans-62.8-40.8176.8-72.1-174.5156.900112.2R113 T117 K178 K179 K186R113-E182 HydrophobicContact CG-CG 4.19Å; R113-E182 IonicContact CZ-OE1 3.12Å; R113-E182 IonicContact NE-OE1 2.78Å; R113-E182 PolarHBondContact NE-OE1 3.27Å; R113-E182 IonicContact NH2-OE1 3.64Å; T117-E182 HydrophobicContact CG2-CG 3.73Å; K178-E182 WeakPolarHBondContact O-CG 3.43Å; K178-E182 PolarHBondContact O-N 3.37Å; K179-E182 PolarHBondContact O-N 3.49Å; E182-K186 WeakPolarHBondContact O-CG 3.23Å; E182-K186 PolarHBondContact O-N 3.14Å
183Q91.9Very high90.4Very high98 Ų9852.6 Ų52.646%0.45826%0.258SS..Hα-helixtrans-66.5-44.2175.7-173.960.827.800111.2K179 D180 K181 L185 K186 E187K179-Q183 PolarHBondContact O-N 3.42Å; D180-Q183 PolarHBondContact O-N 3Å; K181-Q183 PolarHBondContact O-N 3.18Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.26Å; Q183-K186 WeakPolarHBondContact O-CB 3.43Å; Q183-K186 PolarHBondContact O-N 2.95Å; Q183-K186 VanDerWaalsContact O-N 3.14Å; Q183-E187 PolarHBondContact NE2-OE1 2.99Å; Q183-E187 WeakPolarHBondContact O-CG 3.3Å; Q183-E187 PolarHBondContact O-N 3.43Å
184Q91.3Very high90.5Very high57 Ų5752.6 Ų52.627%0.26626%0.258SS..Hα-helixtrans-63.8-37.5178-170.4173.95.200111.7F173 D180 K181 K186 E187 L188F173-Q184 HydrophobicContact CD2-CG 4.3Å; F173-Q184 VanDerWaalsContact CD2-OE1 3.24Å; F173-Q184 HydrophobicContact CE2-CB 4.33Å; F173-Q184 HydrophobicContact CE2-CG 4.46Å; D180-Q184 WeakPolarHBondContact O-CB 3.32Å; D180-Q184 PolarHBondContact O-N 3.02Å; K181-Q184 PolarHBondContact O-N 2.79Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.54Å; Q184-E187 PolarHBondContact O-N 3.07Å; Q184-L188 HydrophobicContact CG-CD1 4.1Å; Q184-L188 HydrophobicContact CG-CG 4.24Å; Q184-L188 WeakPolarHBondContact O-CB 3.44Å; Q184-L188 VanDerWaalsContact O-CG 3.24Å; Q184-L188 WeakPolarHBondContact O-CG 3.21Å; Q184-L188 PolarHBondContact O-N 3.31Å
185L91.5Very high90.4Very high0 Ų051.5 Ų51.50%025%0.252CS..Hα-helixtrans-59.4-41.2172.9-80.8175.9000112.4R113 I116 I134 Y137 F173 K181 Q183 T189R113-L185 HydrophobicContact CG-CD1 4.5Å; I116-L185 HydrophobicContact CB-CD1 4.26Å; I116-L185 HydrophobicContact CD1-CD1 4.33Å; I116-L185 HydrophobicContact CD1-CD2 4.37Å; I116-L185 HydrophobicContact CG2-CD1 3.85Å; I116-L185 HydrophobicContact CG2-CD2 4.15Å; I116-L185 HydrophobicContact CG2-CG 4.41Å; I134-L185 HydrophobicContact CG1-CD2 4.11Å; I134-L185 HydrophobicContact CG2-CD2 4.13Å; Y137-L185 HydrophobicContact CD1-CB 4.42Å; Y137-L185 HydrophobicContact CD1-CD2 4.24Å; Y137-L185 HydrophobicContact CE1-CB 3.95Å; F173-L185 HydrophobicContact CE2-CG 4.35Å; F173-L185 HydrophobicContact CZ-CD2 4.37Å; F173-L185 HydrophobicContact CZ-CG 4.21Å; K181-L185 WeakPolarHBondContact O-CB 3.33Å; K181-L185 WeakPolarHBondContact O-CG 3.23Å; K181-L185 PolarHBondContact O-N 3.3Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.26Å; L185-T189 WeakPolarHBondContact O-CB 3.34Å; L185-T189 PolarHBondContact O-N 2.89Å; L185-T189 PolarHBondContact O-OG1 3.44Å
186K91.2Very high90.2Very high76 Ų7646.8 Ų46.833%0.3322%0.221SC..Hα-helixtrans-64.9-45.6174.7-70.7175.9-179.7179.10111.2E182 Q183 Q184 T189 M190E182-K186 WeakPolarHBondContact O-CG 3.23Å; E182-K186 PolarHBondContact O-N 3.14Å; Q183-K186 WeakPolarHBondContact O-CB 3.43Å; Q183-K186 PolarHBondContact O-N 2.95Å; Q183-K186 VanDerWaalsContact O-N 3.14Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.54Å; K186-T189 WeakPolarHBondContact O-CB 3.41Å; K186-T189 PolarHBondContact O-N 3.46Å; K186-M190 WeakPolarHBondContact O-CG 3.09Å; K186-M190 PolarHBondContact O-N 2.99Å
187E91.3Very high89.9Confident68 Ų6844 Ų4432%0.31821%0.206SC..Hα-helixtrans-61.8-44.9177.4-68.8-61.8149.800112.3Q183 Q184 T189 M190 I191 K326Q183-E187 PolarHBondContact NE2-OE1 2.99Å; Q183-E187 WeakPolarHBondContact O-CG 3.3Å; Q183-E187 PolarHBondContact O-N 3.43Å; Q184-E187 PolarHBondContact O-N 3.07Å; E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 3.36Å; E187-M190 WeakPolarHBondContact O-CB 3.47Å; E187-M190 PolarHBondContact O-N 2.78Å; E187-M190 VanDerWaalsContact O-N 3.15Å; E187-I191 WeakPolarHBondContact O-CG1 3.3Å; E187-I191 PolarHBondContact O-N 2.61Å; E187-K326 VanDerWaalsContact OE2-CE 3.32Å; E187-K326 WeakPolarHBondContact OE2-CE 3.3Å; E187-K326 IonicContact OE2-NZ 2.62Å; E187-K326 PolarHBondContact OE2-NZ 3.32Å
188L91.1Very high89.6Confident8 Ų838.9 Ų38.94%0.04218%0.179CC..Hα-helixtrans-60.5-43.7175.1-72.5170.4000110.7I138 L161 V164 L165 Q184 M190 I191 V192I138-L188 HydrophobicContact CD1-CB 4.35Å; L161-L188 HydrophobicContact CD1-CD2 4.4Å; V164-L188 HydrophobicContact CG1-CD2 3.76Å; L165-L188 HydrophobicContact CB-CD2 4.03Å; L165-L188 HydrophobicContact CD2-CD1 3.93Å; Q184-L188 HydrophobicContact CG-CD1 4.1Å; Q184-L188 HydrophobicContact CG-CG 4.24Å; Q184-L188 WeakPolarHBondContact O-CB 3.44Å; Q184-L188 VanDerWaalsContact O-CG 3.24Å; Q184-L188 WeakPolarHBondContact O-CG 3.21Å; Q184-L188 PolarHBondContact O-N 3.31Å; L188-M190 VanDerWaalsContact C-N 3.32Å; L188-M190 PolarHBondContact O-N 3.21Å; L188-I191 PolarHBondContact O-N 3.14Å; L188-V192 WeakPolarHBondContact O-CB 3.45Å; L188-V192 WeakPolarHBondContact O-CG2 3.5Å; L188-V192 PolarHBondContact O-N 3.1Å
189T91.7Very high89.2Confident1 Ų136.8 Ų36.81%0.00617%0.172CC..Hα-helixtrans-57.2-48.4174.1-52.40000110.3I138 R141 L185 K186 E187 I191 T193 F333I138-T189 HydrophobicContact CG2-CG2 4.37Å; R141-T189 HydrophobicContact CB-CG2 4.09Å; R141-T189 HydrophobicContact CG-CG2 3.95Å; L185-T189 WeakPolarHBondContact O-CB 3.34Å; L185-T189 PolarHBondContact O-N 2.89Å; L185-T189 PolarHBondContact O-OG1 3.44Å; K186-T189 WeakPolarHBondContact O-CB 3.41Å; K186-T189 PolarHBondContact O-N 3.46Å; E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 3.36Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.76Å; T189-T193 WeakPolarHBondContact O-CB 2.98Å; T189-T193 PolarHBondContact O-N 2.9Å; T189-T193 PolarHBondContact O-OG1 3.02Å; T189-F333 HydrophobicContact CG2-CZ 4.1Å
190M92.1Very high88.5Confident44 Ų4432.8 Ų32.822%0.21716%0.156CC..Hα-helixtrans-59-38.6-179-69.6-63.8-65.300113.1K186 E187 L188 K326 T329 K330 F333K186-M190 WeakPolarHBondContact O-CG 3.09Å; K186-M190 PolarHBondContact O-N 2.99Å; E187-M190 WeakPolarHBondContact O-CB 3.47Å; E187-M190 PolarHBondContact O-N 2.78Å; E187-M190 VanDerWaalsContact O-N 3.15Å; L188-M190 VanDerWaalsContact C-N 3.32Å; L188-M190 PolarHBondContact O-N 3.21Å; M190-K326 HydrophobicContact CB-CG 4.02Å; M190-K326 HydrophobicContact CE-CB 4.34Å; M190-K326 VanDerWaalsContact CE-O 3.3Å; M190-K326 WeakPolarHBondContact CE-O 3.46Å; M190-T329 HydrophobicContact CE-CG2 4.17Å; M190-T329 VanDerWaalsContact O-CB 3.28Å; M190-T329 WeakPolarHBondContact O-CB 3.43Å; M190-T329 PolarHBondContact O-OG1 3.32Å; M190-T329 HydrophobicContact SD-CG2 3.72Å; M190-K330 HydrophobicContact CE-CB 4.14Å; M190-F333 HydrophobicContact SD-CD2 4.14Å; M190-F333 HydrophobicContact SD-CE2 3.6Å; M190-F333 VanDerWaalsContact SD-CE2 3.6Å
191I90Very high87.7Confident14 Ų1429.3 Ų29.37%0.07214%0.138CC..Hα-helixtrans-82.2-50.3-178.1-59.1169.5000110.8V164 E187 L188 T189 T193 G194 I195 F322 K326V164-I191 HydrophobicContact CG1-CB 4.45Å; V164-I191 HydrophobicContact CG1-CD1 4.22Å; V164-I191 HydrophobicContact CG1-CG2 4.17Å; V164-I191 HydrophobicContact CG2-CG2 3.59Å; E187-I191 WeakPolarHBondContact O-CG1 3.3Å; E187-I191 PolarHBondContact O-N 2.61Å; L188-I191 PolarHBondContact O-N 3.14Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.76Å; I191-T193 PolarHBondContact O-N 3.01Å; I191-G194 PolarHBondContact O-N 3.49Å; I191-G194 VanDerWaalsContact O-N 3.1Å; I191-I195 HydrophobicContact CG2-CD1 3.83Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CG1 3.29Å; I191-I195 PolarHBondContact O-N 3.07Å; I191-F322 HydrophobicContact CD1-CB 4.45Å; I191-F322 HydrophobicContact CD1-CD2 4.45Å; I191-F322 HydrophobicContact CD1-CG 4.28Å; I191-F322 HydrophobicContact CG2-CD1 3.76Å; I191-F322 HydrophobicContact CG2-CE1 4.04Å; I191-F322 HydrophobicContact CG2-CG 4.42Å; I191-K326 HydrophobicContact CG1-CD 4.48Å; I191-K326 HydrophobicContact CG1-CG 4.03Å
192V89.2Confident86.8Confident0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-63.5-42-175.3173.70000110.9I138 T156 A160 L161 L188 G194 I195 R196I138-V192 HydrophobicContact CD1-CB 4.22Å; I138-V192 HydrophobicContact CD1-CG1 4.22Å; I138-V192 HydrophobicContact CD1-CG2 4.22Å; I138-V192 HydrophobicContact CG2-CB 4.23Å; I138-V192 HydrophobicContact CG2-CG1 3.9Å; T156-V192 HydrophobicContact CG2-CG1 3.94Å; A160-V192 HydrophobicContact CB-CB 4.39Å; A160-V192 HydrophobicContact CB-CG1 3.7Å; L161-V192 HydrophobicContact CB-CG2 4.39Å; L161-V192 HydrophobicContact CD1-CG2 3.77Å; L188-V192 WeakPolarHBondContact O-CB 3.45Å; L188-V192 WeakPolarHBondContact O-CG2 3.5Å; L188-V192 PolarHBondContact O-N 3.1Å; V192-G194 VanDerWaalsContact C-N 3.31Å; V192-G194 PolarHBondContact O-N 3.35Å; V192-I195 PolarHBondContact O-N 2.9Å; V192-R196 VanDerWaalsContact O-CG 3.28Å; V192-R196 WeakPolarHBondContact O-CG 3.35Å; V192-R196 PolarHBondContact O-N 3.19Å
193T88.3Confident85.8Confident0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-60.6-41.5174.1-62.10000111.5S142 I144 T189 I191 R196 I197 T329 F333S142-T193 WeakPolarHBondContact CB-OG1 3.21Å; I144-T193 HydrophobicContact CD1-CG2 3.77Å; T189-T193 WeakPolarHBondContact O-CB 2.98Å; T189-T193 PolarHBondContact O-N 2.9Å; T189-T193 PolarHBondContact O-OG1 3.02Å; I191-T193 PolarHBondContact O-N 3.01Å; T193-R196 PolarHBondContact O-N 3.48Å; T193-I197 HydrophobicContact CG2-CD1 3.83Å; T193-I197 HydrophobicContact CG2-CG1 4.46Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.29Å; T193-I197 PolarHBondContact O-N 3.41Å; T193-T329 HydrophobicContact CG2-CG2 3.68Å; T193-F333 HydrophobicContact CG2-CE1 4.44Å
194G88.8Confident84.2Confident0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-66.7-42.8-179.100000112.3I191 V192 R196 I197 F198 T329I191-G194 PolarHBondContact O-N 3.49Å; I191-G194 VanDerWaalsContact O-N 3.1Å; V192-G194 VanDerWaalsContact C-N 3.31Å; V192-G194 PolarHBondContact O-N 3.35Å; G194-R196 VanDerWaalsContact C-N 3.33Å; G194-R196 PolarHBondContact O-N 3.42Å; G194-I197 PolarHBondContact O-N 3.36Å; G194-F198 WeakPolarHBondContact O-CB 3.38Å; G194-F198 PolarHBondContact O-N 3.22Å; G194-T329 WeakPolarHBondContact CA-OG1 3.43Å; G194-T329 PolarHBondContact N-OG1 3.46Å
195I85.8Confident82.2Confident10 Ų1040.4 Ų40.45%0.05119%0.19CC..Hα-helixtrans-60.5-44.1173.5-65.2166.7000110.3A159 A160 V164 I191 V192 F198 N199 F325A159-I195 VanDerWaalsContact O-CG2 3.28Å; A159-I195 WeakPolarHBondContact O-CG2 3.49Å; A160-I195 HydrophobicContact CB-CB 3.89Å; A160-I195 HydrophobicContact CB-CD1 4.49Å; A160-I195 HydrophobicContact CB-CG2 3.69Å; V164-I195 HydrophobicContact CG2-CD1 3.56Å; I191-I195 HydrophobicContact CG2-CD1 3.83Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CG1 3.29Å; I191-I195 PolarHBondContact O-N 3.07Å; V192-I195 PolarHBondContact O-N 2.9Å; I195-F198 PolarHBondContact O-N 2.97Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.43Å; I195-N199 WeakPolarHBondContact O-CB 3.45Å; I195-N199 PolarHBondContact O-N 2.97Å; I195-N199 PolarHBondContact O-OD1 2.89Å; I195-F325 HydrophobicContact CD1-CD2 4.34Å; I195-F325 HydrophobicContact CD1-CE2 4.3Å; I195-F325 HydrophobicContact CG1-CD1 4.14Å; I195-F325 HydrophobicContact CG1-CD2 3.56Å; I195-F325 HydrophobicContact CG1-CE1 4.13Å; I195-F325 HydrophobicContact CG1-CE2 3.51Å; I195-F325 HydrophobicContact CG1-CG 3.9Å; I195-F325 HydrophobicContact CG1-CZ 3.83Å
196R84Confident80Confident26 Ų2647.7 Ų47.710%0.09822%0.224CC..Hα-helixtrans-63.2-46.4179.3-73.5-178.771.6-1382.2112.5I144 T156 A160 V192 T193 G194 F198 N199 E200I144-R196 VanDerWaalsContact O-CZ 3.28Å; I144-R196 PolarHBondContact O-NH1 3.42Å; I144-R196 PolarHBondContact O-NH2 2.94Å; T156-R196 VanDerWaalsContact OG1-CZ 3.23Å; T156-R196 PolarHBondContact OG1-NE 2.93Å; A160-R196 HydrophobicContact CB-CG 3.84Å; V192-R196 VanDerWaalsContact O-CG 3.28Å; V192-R196 WeakPolarHBondContact O-CG 3.35Å; V192-R196 PolarHBondContact O-N 3.19Å; T193-R196 PolarHBondContact O-N 3.48Å; G194-R196 VanDerWaalsContact C-N 3.33Å; G194-R196 PolarHBondContact O-N 3.42Å; R196-F198 VanDerWaalsContact C-N 3.28Å; R196-F198 PolarHBondContact O-N 3.43Å; R196-N199 PolarHBondContact O-N 3.39Å; R196-E200 WeakPolarHBondContact O-CB 3.48Å; R196-E200 PolarHBondContact O-N 3.2Å
197I83.4Confident77.7Confident4 Ų445.8 Ų45.82%0.02122%0.219CC..Hα-helixtrans-58.9-43.7175.9-66.7164.6000110.2I144 T193 G194 A201 L209 L303 V328 W332I144-I197 HydrophobicContact CD1-CD1 3.73Å; I144-I197 HydrophobicContact CD1-CG1 3.34Å; T193-I197 HydrophobicContact CG2-CD1 3.83Å; T193-I197 HydrophobicContact CG2-CG1 4.46Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.29Å; T193-I197 PolarHBondContact O-N 3.41Å; G194-I197 PolarHBondContact O-N 3.36Å; I197-A201 VanDerWaalsContact O-CB 3.25Å; I197-A201 WeakPolarHBondContact O-CB 3.47Å; I197-A201 PolarHBondContact O-N 2.89Å; I197-L209 HydrophobicContact CG2-CD1 3.7Å; I197-L209 HydrophobicContact CG2-CD2 4.04Å; I197-L209 HydrophobicContact CG2-CG 4.5Å; I197-L303 HydrophobicContact CG2-CD2 4.35Å; I197-V328 HydrophobicContact CB-CG1 3.84Å; I197-V328 HydrophobicContact CD1-CG1 3.86Å; I197-V328 HydrophobicContact CG1-CG1 4.48Å; I197-V328 HydrophobicContact CG2-CG1 3.64Å; I197-W332 HydrophobicContact CD1-CB 3.61Å; I197-W332 HydrophobicContact CD1-CD2 3.94Å; I197-W332 HydrophobicContact CD1-CE3 4.43Å; I197-W332 HydrophobicContact CD1-CG 3.55Å
198F84.6Confident75.5Confident17 Ų1746.6 Ų46.68%0.07523%0.228CC..Hα-helixtrans-65.3-43.7178.6174.3-100.2000113G194 I195 R196 A201 S202 L303 L306 R307 V310 F325G194-F198 WeakPolarHBondContact O-CB 3.38Å; G194-F198 PolarHBondContact O-N 3.22Å; I195-F198 PolarHBondContact O-N 2.97Å; R196-F198 VanDerWaalsContact C-N 3.28Å; R196-F198 PolarHBondContact O-N 3.43Å; F198-A201 PolarHBondContact O-N 3.35Å; F198-S202 VanDerWaalsContact O-CB 3.32Å; F198-S202 WeakPolarHBondContact O-CB 3.47Å; F198-S202 PolarHBondContact O-N 3.3Å; F198-S202 PolarHBondContact O-OG 3.12Å; F198-L303 HydrophobicContact CB-CD2 4.3Å; F198-L303 HydrophobicContact CD2-CD2 4.2Å; F198-L306 HydrophobicContact CD2-CB 3.85Å; F198-L306 HydrophobicContact CD2-CD1 4.34Å; F198-L306 HydrophobicContact CE2-CB 3.81Å; F198-R307 HydrophobicContact CE2-CB 4.2Å; F198-V310 HydrophobicContact CE1-CG1 4.25Å; F198-V310 HydrophobicContact CE1-CG2 4.48Å; F198-V310 HydrophobicContact CZ-CB 4.12Å; F198-V310 HydrophobicContact CZ-CG1 4.25Å; F198-V310 HydrophobicContact CZ-CG2 4.24Å; F198-F325 HydrophobicContact CB-CD1 4.3Å; F198-F325 HydrophobicContact CB-CE1 3.69Å; F198-F325 HydrophobicContact CD1-CE1 4Å; F198-F325 HydrophobicContact CD1-CZ 4.33Å; F198-F325 AromaticContact CG-CE1 3.83Å; F198-F325 HydrophobicContact CG-CE1 3.83Å
199N81.4Confident73.5Confident48 Ų4846.9 Ų46.926%0.25723%0.229SC..Hα-helixtrans-63.8-43.3178.2-72.2-11.4000110.7A159 I195 R196 S202 K203A159-N199 PolarHBondContact O-ND2 3.36Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.43Å; I195-N199 WeakPolarHBondContact O-CB 3.45Å; I195-N199 PolarHBondContact O-N 2.97Å; I195-N199 PolarHBondContact O-OD1 2.89Å; R196-N199 PolarHBondContact O-N 3.39Å; N199-S202 PolarHBondContact O-N 3.45Å; N199-S202 VanDerWaalsContact O-N 3.11Å; N199-K203 WeakPolarHBondContact O-CG 3.24Å; N199-K203 PolarHBondContact O-N 3.34Å
200E76.6Confident71.4Confident81 Ų8149.3 Ų49.338%0.37925%0.25SS..Hα-helixtrans-63.7-45176.9-164.460.2-157.500111.6R196 S202 K203 Q204 L209R196-E200 WeakPolarHBondContact O-CB 3.48Å; R196-E200 PolarHBondContact O-N 3.2Å; E200-S202 PolarHBondContact O-N 3.5Å; E200-K203 PolarHBondContact O-N 3.08Å; E200-K203 IonicContact OE2-NZ 3.2Å; E200-Q204 PolarHBondContact O-N 2.9Å; E200-L209 HydrophobicContact CB-CD2 4.27Å; E200-L209 HydrophobicContact CG-CD2 4.41Å
201A74.1Confident69.5Low3 Ų350.8 Ų50.83%0.02526%0.261CS..Hα-helixtrans-65-17.717400000113.8I197 F198 L209 L303 R307I197-A201 VanDerWaalsContact O-CB 3.25Å; I197-A201 WeakPolarHBondContact O-CB 3.47Å; I197-A201 PolarHBondContact O-N 2.89Å; F198-A201 PolarHBondContact O-N 3.35Å; A201-L209 HydrophobicContact CB-CD2 4.2Å; A201-L209 HydrophobicContact CB-CG 4.16Å; A201-L303 HydrophobicContact CB-CD1 4.22Å; A201-R307 PolarHBondContact O-NH2 3.38Å
202S72.9Confident68.2Low49 Ų4950.5 Ų50.534%0.34326%0.26SS..Hα-helixtrans-93.5-25.8178.6-61.90000113.1F198 N199 E200F198-S202 VanDerWaalsContact O-CB 3.32Å; F198-S202 WeakPolarHBondContact O-CB 3.47Å; F198-S202 PolarHBondContact O-N 3.3Å; F198-S202 PolarHBondContact O-OG 3.12Å; N199-S202 PolarHBondContact O-N 3.45Å; N199-S202 VanDerWaalsContact O-N 3.11Å; E200-S202 PolarHBondContact O-N 3.5Å
203K71.2Confident66.9Low127 Ų12752 Ų5255%0.55227%0.273SS*.Hα-helixtrans-67.7-37.4170.7-70.4173.4-176.2175.80111.5D155 N199 E200D155-K203 IonicContact OD2-NZ 3.19Å; D155-K203 PolarHBondContact OD2-NZ 2.91Å; N199-K203 WeakPolarHBondContact O-CG 3.24Å; N199-K203 PolarHBondContact O-N 3.34Å; E200-K203 PolarHBondContact O-N 3.08Å; E200-K203 IonicContact OE2-NZ 3.2Å
204Q57.9Low65.7Low63 Ų6356.6 Ų56.629%0.29430%0.301SS..SBendtrans-82.4118175.4-63.2-179.7-4.100108.9E200 E206 V208E200-Q204 PolarHBondContact O-N 2.9Å; Q204-E206 PolarHBondContact O-N 3.3Å; Q204-V208 PolarHBondContact OE1-O 2.93Å
205K49.1Very low64.7Low209 Ų20958.7 Ų58.791%0.90931%0.311SS*.SBendtrans-61.7-14.8-179.5-72.5-179.6178177.60112.9
206E45Very low63.9Low153 Ų15361.7 Ų61.772%0.71533%0.325SS*.SBendtrans-105.4138.3168.5-70.6-177.5152.700110.8Q204 V208Q204-E206 PolarHBondContact O-N 3.3Å; E206-V208 PolarHBondContact O-N 3.18Å
207V43.6Very low63.4Low37 Ų3766.7 Ų66.722%0.22435%0.35CS..SBendtrans-71.614.3-173-177.90000113.1L209V207-L209 PolarHBondContact O-N 2.93Å
208V45Very low62.8Low84 Ų8469.1 Ų69.151%0.50937%0.371SS..  trans-100.394.7-178.1-172.30000107.9Q204 E206 A210 A213Q204-V208 PolarHBondContact OE1-O 2.93Å; E206-V208 PolarHBondContact O-N 3.18Å; V208-A210 PolarHBondContact O-N 2.86Å; V208-A213 HydrophobicContact CG1-CB 4.42Å
209L49.8Very low62.1Low14 Ų1469.2 Ų69.27%0.07337%0.372CS..  trans-46129.9163.9-74.4148.5000108.5I197 E200 A201 V207 V211 P212 L299 L303I197-L209 HydrophobicContact CG2-CD1 3.7Å; I197-L209 HydrophobicContact CG2-CD2 4.04Å; I197-L209 HydrophobicContact CG2-CG 4.5Å; E200-L209 HydrophobicContact CB-CD2 4.27Å; E200-L209 HydrophobicContact CG-CD2 4.41Å; A201-L209 HydrophobicContact CB-CD2 4.2Å; A201-L209 HydrophobicContact CB-CG 4.16Å; V207-L209 PolarHBondContact O-N 2.93Å; L209-V211 PolarHBondContact O-N 3.04Å; L209-P212 HydrophobicContact CB-CG 3.68Å; L209-P212 HydrophobicContact CD1-CG 4.17Å; L209-P212 VanDerWaalsContact O-CD 3.23Å; L209-P212 WeakPolarHBondContact O-CD 3.37Å; L209-L299 HydrophobicContact CD1-CD2 4.22Å; L209-L303 HydrophobicContact CD1-CD1 3.93Å
210A46.1Very low61.9Low53 Ų5371 Ų7144%0.43838%0.379SS..Hα-helixtrans-60.3-25.2177.500000113.2V208 A213 V214V208-A210 PolarHBondContact O-N 2.86Å; A210-A213 PolarHBondContact O-N 3.46Å; A210-V214 WeakPolarHBondContact O-CG2 3.45Å; A210-V214 PolarHBondContact O-N 3.04Å
211V53.2Low62.2Low75 Ų7571.3 Ų71.346%0.45539%0.386SS..Hα-helixtrans-75.2-43.7-176.9-164.70000113.3L209 A213 V214 L215 W332L209-V211 PolarHBondContact O-N 3.04Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.05Å; V211-V214 PolarHBondContact O-N 3.44Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.45Å; V211-L215 WeakPolarHBondContact O-CB 3.24Å; V211-L215 WeakPolarHBondContact O-CD1 3.38Å; V211-L215 VanDerWaalsContact O-CG 3.27Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 3.27Å; V211-W332 HydrophobicContact CB-CH2 3.91Å; V211-W332 HydrophobicContact CB-CZ3 4.42Å; V211-W332 HydrophobicContact CG1-CH2 3.59Å; V211-W332 HydrophobicContact CG1-CZ2 4.48Å; V211-W332 HydrophobicContact CG1-CZ3 4.43Å
212P62.1Low62.5Low7 Ų772.3 Ų72.35%0.04539%0.393CS..Hα-helixtrans-54-36.7166.4-33.737.8000115.5L209 Q216 W332L209-P212 HydrophobicContact CB-CG 3.68Å; L209-P212 HydrophobicContact CD1-CG 4.17Å; L209-P212 VanDerWaalsContact O-CD 3.23Å; L209-P212 WeakPolarHBondContact O-CD 3.37Å; P212-Q216 WeakPolarHBondContact O-CB 3.47Å; P212-Q216 PolarHBondContact O-N 2.87Å; P212-W332 HydrophobicContact CG-CZ3 4.47Å
213A62.4Low63Low32 Ų3270.8 Ų70.826%0.26438%0.381SS..Hα-helixtrans-70.1-47.4179.300000112V208 A210 V211 L215 Q216 E217V208-A213 HydrophobicContact CG1-CB 4.42Å; A210-A213 PolarHBondContact O-N 3.46Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.05Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.02Å; A213-Q216 WeakPolarHBondContact O-CB 3.28Å; A213-Q216 PolarHBondContact O-N 3.42Å; A213-Q216 VanDerWaalsContact O-N 3.16Å; A213-E217 PolarHBondContact O-N 3.39Å
214V63Low63.7Low97 Ų9771.1 Ų71.159%0.58838%0.378SS*.Hα-helixtrans-62.8-40175.8175.10000111.4A210 V211 A218A210-V214 WeakPolarHBondContact O-CG2 3.45Å; A210-V214 PolarHBondContact O-N 3.04Å; V211-V214 PolarHBondContact O-N 3.44Å; V214-A218 WeakPolarHBondContact O-CB 3.42Å; V214-A218 PolarHBondContact O-N 3.41Å; V214-A218 VanDerWaalsContact O-N 3.08Å
215L66.8Low65.2Low43 Ų4370.3 Ų70.323%0.22538%0.38CS..Hα-helixtrans-61.8-47.6172.5-74.7165.5000110.5V211 A213 E217 A218 L219 M292 A339V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.45Å; V211-L215 WeakPolarHBondContact O-CB 3.24Å; V211-L215 WeakPolarHBondContact O-CD1 3.38Å; V211-L215 VanDerWaalsContact O-CG 3.27Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 3.27Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.02Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3Å; L215-A218 PolarHBondContact O-N 3.45Å; L215-L219 HydrophobicContact CB-CD1 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 VanDerWaalsContact O-CD1 3.25Å; L215-L219 WeakPolarHBondContact O-CD1 3.44Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.03Å; L215-M292 HydrophobicContact CB-CE 3.83Å; L215-A339 HydrophobicContact CD2-CB 3.99Å
216Q69.3Low67.2Low73 Ų7360.4 Ų60.434%0.34134%0.337SS..Hα-helixtrans-58.2-42.5179.6-175.3175.13.600112.5P212 A213 L219 Q220P212-Q216 WeakPolarHBondContact O-CB 3.47Å; P212-Q216 PolarHBondContact O-N 2.87Å; A213-Q216 WeakPolarHBondContact O-CB 3.28Å; A213-Q216 PolarHBondContact O-N 3.42Å; A213-Q216 VanDerWaalsContact O-N 3.16Å; Q216-L219 PolarHBondContact O-N 3Å; Q216-Q220 WeakPolarHBondContact O-CB 3.43Å; Q216-Q220 WeakPolarHBondContact O-CG 3.14Å; Q216-Q220 PolarHBondContact O-N 3.41Å
217E73.4Confident69.4Low132 Ų13257 Ų5762%0.61732%0.32SS*.Hα-helixtrans-63-50.5175.9-73.3178.5-174.400112.1A213 L215 L219 Q220 V221A213-E217 PolarHBondContact O-N 3.39Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3Å; E217-L219 PolarHBondContact O-N 2.89Å; E217-Q220 PolarHBondContact O-N 2.87Å; E217-V221 WeakPolarHBondContact O-CG2 3.2Å; E217-V221 PolarHBondContact O-N 2.94Å
218A70.9Confident71.7Confident55 Ų5560.2 Ų60.246%0.45534%0.335SS..Hα-helixtrans-58.9-38.4178.700000111.8V214 L215 V221 S222V214-A218 WeakPolarHBondContact O-CB 3.42Å; V214-A218 PolarHBondContact O-N 3.41Å; V214-A218 VanDerWaalsContact O-N 3.08Å; L215-A218 PolarHBondContact O-N 3.45Å; A218-V221 WeakPolarHBondContact O-CB 3.27Å; A218-V221 PolarHBondContact O-N 3.44Å; A218-S222 PolarHBondContact O-N 3.05Å; A218-S222 PolarHBondContact O-OG 3.37Å
219L70.4Confident73.9Confident19 Ų1957.2 Ų57.210%0.09932%0.316CS..Hα-helixtrans-74.3-40.4-178.5-63164.4000112.4L215 Q216 E217 V221 S222 D223 M292 A339 L342L215-L219 HydrophobicContact CB-CD1 4.37Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 VanDerWaalsContact O-CD1 3.25Å; L215-L219 WeakPolarHBondContact O-CD1 3.44Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.03Å; Q216-L219 PolarHBondContact O-N 3Å; E217-L219 PolarHBondContact O-N 2.89Å; L219-V221 PolarHBondContact O-N 3.47Å; L219-S222 PolarHBondContact O-N 2.96Å; L219-D223 PolarHBondContact O-N 3.08Å; L219-M292 HydrophobicContact CD1-CE 3.19Å; L219-M292 HydrophobicContact CD1-CG 4.2Å; L219-M292 HydrophobicContact CD1-SD 3.21Å; L219-M292 WeakPolarHBondContact CD1-SD 3.3Å; L219-A339 HydrophobicContact CD2-CB 4.08Å; L219-L342 HydrophobicContact CB-CD2 3.69Å; L219-L342 HydrophobicContact CD2-CB 3.82Å; L219-L342 HydrophobicContact CD2-CD2 3.34Å; L219-L342 HydrophobicContact CD2-CG 4.12Å; L219-L342 HydrophobicContact CG-CD2 4.07Å; L219-L342 WeakPolarHBondContact O-CD2 3.4Å
220Q77.3Confident76Confident86 Ų8656.9 Ų56.940%0.40231%0.314SS..Hα-helixtrans-63-29.8172.3-75.3-175.1-3.100111.8Q216 E217 R224Q216-Q220 WeakPolarHBondContact O-CB 3.43Å; Q216-Q220 WeakPolarHBondContact O-CG 3.14Å; Q216-Q220 PolarHBondContact O-N 3.41Å; E217-Q220 PolarHBondContact O-N 2.87Å; Q220-R224 WeakPolarHBondContact O-CB 3.42Å; Q220-R224 WeakPolarHBondContact O-CG 3.39Å; Q220-R224 PolarHBondContact O-N 3.47Å; Q220-R224 VanDerWaalsContact O-N 3.14Å; Q220-R224 PolarHBondContact O-NE 2.99Å
221V82.8Confident78.3Confident87 Ų8757.7 Ų57.753%0.52732%0.317SS..Hα-helixtrans-69-45.7173.3175.10000110.3E217 A218 L219 R224 S225E217-V221 WeakPolarHBondContact O-CG2 3.2Å; E217-V221 PolarHBondContact O-N 2.94Å; A218-V221 WeakPolarHBondContact O-CB 3.27Å; A218-V221 PolarHBondContact O-N 3.44Å; L219-V221 PolarHBondContact O-N 3.47Å; V221-R224 PolarHBondContact O-N 3.04Å; V221-S225 WeakPolarHBondContact O-CB 3.25Å; V221-S225 PolarHBondContact O-N 3.31Å
222S79.9Confident80.1Confident24 Ų2459 Ų5917%0.16832%0.32CS..Hα-helixtrans-62-48.4177.7-67.50000113A218 L219 R224 S225 I226A218-S222 PolarHBondContact O-N 3.05Å; A218-S222 PolarHBondContact O-OG 3.37Å; L219-S222 PolarHBondContact O-N 2.96Å; S222-R224 PolarHBondContact O-N 2.95Å; S222-S225 WeakPolarHBondContact O-CB 3.33Å; S222-S225 PolarHBondContact O-N 3.49Å; S222-I226 WeakPolarHBondContact O-CG1 3.01Å; S222-I226 PolarHBondContact O-N 3.13Å; S222-I226 VanDerWaalsContact O-N 3.1Å
223D83.4Confident81.5Confident17 Ų1758.8 Ų58.89%0.09132%0.318CS..Hα-helixtrans-62-43.8176.9172.568.3000111.9L219 S225 I226 K227L219-D223 PolarHBondContact O-N 3.08Å; D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 2.93Å; D223-I226 PolarHBondContact O-N 3.25Å; D223-K227 WeakPolarHBondContact O-CG 3.47Å; D223-K227 PolarHBondContact O-N 3.09Å; D223-K227 WeakPolarHBondContact OD1-CE 3.27Å; D223-K227 IonicContact OD1-NZ 2.95Å; D223-K227 PolarHBondContact OD1-NZ 3.07Å; D223-K227 VanDerWaalsContact OD2-CE 3.26Å; D223-K227 WeakPolarHBondContact OD2-CE 3.36Å; D223-K227 IonicContact OD2-NZ 3.92Å; D223-K227 PolarHBondContact OD2-NZ 3.22Å
224R87.1Confident83Confident133 Ų13359.4 Ų59.450%0.50232%0.316SS..Hα-helixtrans-61.7-37.9174.2-78.6-176.9-83.5-177.7-9.8112.1Q220 V221 S222 K227 N228Q220-R224 WeakPolarHBondContact O-CB 3.42Å; Q220-R224 WeakPolarHBondContact O-CG 3.39Å; Q220-R224 PolarHBondContact O-N 3.47Å; Q220-R224 VanDerWaalsContact O-N 3.14Å; Q220-R224 PolarHBondContact O-NE 2.99Å; V221-R224 PolarHBondContact O-N 3.04Å; S222-R224 PolarHBondContact O-N 2.95Å; R224-K227 PolarHBondContact O-N 3.16Å; R224-N228 WeakPolarHBondContact O-CB 3.37Å; R224-N228 PolarHBondContact O-N 3.17Å; R224-N228 PolarHBondContact O-ND2 3.31Å; R224-N228 PolarHBondContact O-OD1 3.14Å
225S89.3Confident84.2Confident47 Ų4755.3 Ų55.333%0.32929%0.293SS..Hα-helixtrans-61.7-46.8177.7-170.60000111.7V221 S222 D223 N228 E229V221-S225 WeakPolarHBondContact O-CB 3.25Å; V221-S225 PolarHBondContact O-N 3.31Å; S222-S225 WeakPolarHBondContact O-CB 3.33Å; S222-S225 PolarHBondContact O-N 3.49Å; D223-S225 VanDerWaalsContact C-N 3.29Å; D223-S225 PolarHBondContact O-N 2.93Å; S225-N228 PolarHBondContact O-N 3.17Å; S225-E229 PolarHBondContact O-N 2.94Å
226I90.4Very high85.3Confident0 Ų055.1 Ų55.10%029%0.292CS..Hα-helixtrans-63.1-44.3177.3-60.5172.3000110.6S222 D223 N228 E229 L230 Q282 A285 T349S222-I226 WeakPolarHBondContact O-CG1 3.01Å; S222-I226 PolarHBondContact O-N 3.13Å; S222-I226 VanDerWaalsContact O-N 3.1Å; D223-I226 PolarHBondContact O-N 3.25Å; I226-N228 PolarHBondContact O-N 3.46Å; I226-E229 PolarHBondContact O-N 3.03Å; I226-L230 WeakPolarHBondContact O-CB 3.34Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-Q282 HydrophobicContact CG2-CB 4.09Å; I226-A285 HydrophobicContact CD1-CB 3.98Å; I226-T349 HydrophobicContact CG1-CG2 4.2Å
227K91.3Very high86.4Confident83 Ų8351.6 Ų51.636%0.36128%0.276SS..Hα-helixtrans-61.5-41.4176.4-75.1173178.5164.50112.7D223 R224 L230 S231 Q282D223-K227 WeakPolarHBondContact O-CG 3.47Å; D223-K227 PolarHBondContact O-N 3.09Å; D223-K227 WeakPolarHBondContact OD1-CE 3.27Å; D223-K227 IonicContact OD1-NZ 2.95Å; D223-K227 PolarHBondContact OD1-NZ 3.07Å; D223-K227 VanDerWaalsContact OD2-CE 3.26Å; D223-K227 WeakPolarHBondContact OD2-CE 3.36Å; D223-K227 IonicContact OD2-NZ 3.92Å; D223-K227 PolarHBondContact OD2-NZ 3.22Å; R224-K227 PolarHBondContact O-N 3.16Å; K227-L230 PolarHBondContact O-N 2.95Å; K227-S231 PolarHBondContact O-N 3.45Å; K227-Q282 HydrophobicContact CG-CG 4.3Å
228N91.9Very high87.1Confident103 Ų10348.3 Ų48.355%0.55126%0.258SS*.Hα-helixtrans-64.6-44.6177-72.3-15.1000111.1R224 S225 I226 L230 S231 I232R224-N228 WeakPolarHBondContact O-CB 3.37Å; R224-N228 PolarHBondContact O-N 3.17Å; R224-N228 PolarHBondContact O-ND2 3.31Å; R224-N228 PolarHBondContact O-OD1 3.14Å; S225-N228 PolarHBondContact O-N 3.17Å; I226-N228 PolarHBondContact O-N 3.46Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.17Å; N228-S231 PolarHBondContact O-N 3.35Å; N228-I232 WeakPolarHBondContact O-CG1 3.47Å; N228-I232 PolarHBondContact O-N 3.24Å
229E92.1Very high88Confident21 Ų2148.3 Ų48.310%0.09825%0.246CC..Hα-helixtrans-61.9-41.3176.6-164.667-168.600111.8S225 I226 S231 I232 T233 L278 T349 K353S225-E229 PolarHBondContact O-N 2.94Å; I226-E229 PolarHBondContact O-N 3.03Å; E229-S231 PolarHBondContact O-N 3.38Å; E229-I232 PolarHBondContact O-N 3.42Å; E229-T233 WeakPolarHBondContact O-CB 3.46Å; E229-T233 PolarHBondContact O-N 3Å; E229-T233 PolarHBondContact O-OG1 3.38Å; E229-L278 HydrophobicContact CB-CD1 4.24Å; E229-L278 HydrophobicContact CG-CD1 3.9Å; E229-L278 HydrophobicContact CG-CD2 4.38Å; E229-T349 HydrophobicContact CB-CG2 4.48Å; E229-T349 HydrophobicContact CG-CG2 4.5Å; E229-K353 WeakPolarHBondContact OE1-CE 3.44Å; E229-K353 IonicContact OE1-NZ 3.6Å; E229-K353 WeakPolarHBondContact OE2-CE 3.36Å; E229-K353 IonicContact OE2-NZ 3.27Å; E229-K353 PolarHBondContact OE2-NZ 3.24Å
230L93.5Very high88.9Confident8 Ų847.5 Ų47.54%0.04224%0.241CC..Hα-helixtrans-61.9-44176178.962.4000111.5I226 K227 N228 I232 T233 Q234 E275 L278 K279I226-L230 WeakPolarHBondContact O-CB 3.34Å; I226-L230 PolarHBondContact O-N 2.92Å; K227-L230 PolarHBondContact O-N 2.95Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.17Å; L230-I232 PolarHBondContact O-N 3.22Å; L230-T233 WeakPolarHBondContact O-CB 3.21Å; L230-T233 PolarHBondContact O-N 2.78Å; L230-Q234 HydrophobicContact CD1-CG 4.18Å; L230-Q234 HydrophobicContact CG-CG 4.42Å; L230-Q234 WeakPolarHBondContact O-CB 3.35Å; L230-Q234 VanDerWaalsContact O-CG 3.25Å; L230-Q234 WeakPolarHBondContact O-CG 3.42Å; L230-Q234 PolarHBondContact O-N 2.95Å; L230-E275 HydrophobicContact CD1-CG 3.94Å; L230-L278 HydrophobicContact CB-CB 4.33Å; L230-L278 HydrophobicContact CB-CD1 4.23Å; L230-L278 HydrophobicContact CD1-CB 3.85Å; L230-L278 HydrophobicContact CD1-CD1 4.39Å; L230-K279 HydrophobicContact CD1-CG 4.11Å; L230-K279 HydrophobicContact CD2-CG 4.35Å
231S93Very high89.4Confident70 Ų7043.4 Ų43.449%0.4922%0.222SC..Hα-helixtrans-61.4-43.8177.2-179.70000112.3K227 N228 E229 T233 Q234 G235K227-S231 PolarHBondContact O-N 3.45Å; N228-S231 PolarHBondContact O-N 3.35Å; E229-S231 PolarHBondContact O-N 3.38Å; S231-T233 VanDerWaalsContact C-N 3.35Å; S231-T233 PolarHBondContact O-N 2.96Å; S231-Q234 PolarHBondContact O-N 3.43Å; S231-G235 PolarHBondContact O-N 3.33Å
232I91.3Very high89.6Confident103 Ų10339.4 Ų39.453%0.52820%0.198SC..Hα-helixtrans-60.6-47.5175.7-67.2164.7000110.3N228 E229 L230 G235 L236N228-I232 WeakPolarHBondContact O-CG1 3.47Å; N228-I232 PolarHBondContact O-N 3.24Å; E229-I232 PolarHBondContact O-N 3.42Å; L230-I232 PolarHBondContact O-N 3.22Å; I232-G235 PolarHBondContact O-N 2.98Å; I232-L236 PolarHBondContact O-N 2.96Å; I232-L236 VanDerWaalsContact O-N 3.17Å
233T92.6Very high89.9Confident1 Ų138.4 Ų38.41%0.00619%0.191CC..Hα-helixtrans-60.4-47.3179.2-59.60000111.3E229 L230 S231 G235 L236 V237 V271 H274 E275 L278E229-T233 WeakPolarHBondContact O-CB 3.46Å; E229-T233 PolarHBondContact O-N 3Å; E229-T233 PolarHBondContact O-OG1 3.38Å; L230-T233 WeakPolarHBondContact O-CB 3.21Å; L230-T233 PolarHBondContact O-N 2.78Å; S231-T233 VanDerWaalsContact C-N 3.35Å; S231-T233 PolarHBondContact O-N 2.96Å; T233-G235 VanDerWaalsContact C-N 3.29Å; T233-G235 PolarHBondContact O-N 3.11Å; T233-L236 WeakPolarHBondContact O-CB 3.42Å; T233-L236 PolarHBondContact O-N 2.78Å; T233-V237 WeakPolarHBondContact O-CG2 3.4Å; T233-V237 PolarHBondContact O-N 3.44Å; T233-V271 HydrophobicContact CG2-CG1 3.53Å; T233-V271 WeakPolarHBondContact O-CG1 3.46Å; T233-H274 HydrophobicContact CG2-CB 4.32Å; T233-H274 PolarHBondContact OG1-CD2 2.91Å; T233-H274 VanDerWaalsContact OG1-CD2 3.25Å; T233-E275 HydrophobicContact CG2-CB 3.94Å; T233-L278 HydrophobicContact CG2-CD1 4.46Å
234Q92.4Very high89.9Confident46 Ų4637.7 Ų37.722%0.21519%0.187CC..Hα-helixtrans-58.9-40.3176-76.3176.2-28.100112.1L230 S231 L236 V237 W238 E275L230-Q234 HydrophobicContact CD1-CG 4.18Å; L230-Q234 HydrophobicContact CG-CG 4.42Å; L230-Q234 WeakPolarHBondContact O-CB 3.35Å; L230-Q234 VanDerWaalsContact O-CG 3.25Å; L230-Q234 WeakPolarHBondContact O-CG 3.42Å; L230-Q234 PolarHBondContact O-N 2.95Å; S231-Q234 PolarHBondContact O-N 3.43Å; Q234-L236 VanDerWaalsContact C-N 3.27Å; Q234-L236 PolarHBondContact O-N 2.87Å; Q234-V237 WeakPolarHBondContact O-CB 3.38Å; Q234-V237 PolarHBondContact O-N 3.16Å; Q234-W238 HydrophobicContact CB-CH2 4.22Å; Q234-W238 HydrophobicContact CB-CZ2 3.78Å; Q234-W238 PolarHBondContact O-N 3.5Å; Q234-E275 HydrophobicContact CG-CG 4.14Å
235G89.6Confident89.8Confident10 Ų1033.8 Ų33.810%0.10318%0.175CC..Hα-helixtrans-59.7-35.8173.500000113.4S231 I232 T233 R239S231-G235 PolarHBondContact O-N 3.33Å; I232-G235 PolarHBondContact O-N 2.98Å; T233-G235 VanDerWaalsContact C-N 3.29Å; T233-G235 PolarHBondContact O-N 3.11Å; G235-R239 WeakPolarHBondContact O-CG 3.42Å; G235-R239 PolarHBondContact O-NH1 3.45Å
236L89.8Confident89.5Confident39 Ų3935.2 Ų35.220%0.20418%0.175CC..Hα-helixtrans-72.8-44.7173.9-67.7175.3000111.3I232 T233 Q234 W238 R239 Y240 V271I232-L236 PolarHBondContact O-N 2.96Å; I232-L236 VanDerWaalsContact O-N 3.17Å; T233-L236 WeakPolarHBondContact O-CB 3.42Å; T233-L236 PolarHBondContact O-N 2.78Å; Q234-L236 VanDerWaalsContact C-N 3.27Å; Q234-L236 PolarHBondContact O-N 2.87Å; L236-W238 VanDerWaalsContact C-N 3.31Å; L236-W238 PolarHBondContact O-N 3.26Å; L236-R239 PolarHBondContact O-N 3.44Å; L236-Y240 HydrophobicContact CB-CD2 4.42Å; L236-Y240 HydrophobicContact CB-CE2 4.4Å; L236-Y240 VanDerWaalsContact O-CD2 3.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 PolarHBondContact O-N 2.97Å; L236-V271 HydrophobicContact CB-CG1 3.87Å; L236-V271 HydrophobicContact CB-CG2 4.42Å
237V91.2Very high88.9Confident0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-51.8-50176.6166.50000111.4T233 Q234 R239 Y240 T241 V271 R272 E275T233-V237 WeakPolarHBondContact O-CG2 3.4Å; T233-V237 PolarHBondContact O-N 3.44Å; Q234-V237 WeakPolarHBondContact O-CB 3.38Å; Q234-V237 PolarHBondContact O-N 3.16Å; V237-R239 VanDerWaalsContact C-N 3.32Å; V237-R239 PolarHBondContact O-N 2.87Å; V237-Y240 PolarHBondContact O-N 2.91Å; V237-T241 WeakPolarHBondContact O-CB 3.39Å; V237-T241 PolarHBondContact O-N 2.88Å; V237-T241 PolarHBondContact O-OG1 3.21Å; V237-V271 HydrophobicContact CB-CG1 4.39Å; V237-V271 HydrophobicContact CG2-CB 3.95Å; V237-V271 HydrophobicContact CG2-CG1 3.35Å; V237-R272 VanDerWaalsContact CG1-NH2 3.29Å; V237-E275 HydrophobicContact CG2-CB 4.28Å
238W89.8Confident88Confident63 Ų6334.7 Ų34.724%0.23918%0.177CC..Hα-helixtrans-65-37.5-176.9-56.3-28.1000112.1Q234 L236 A242 V377 T379Q234-W238 HydrophobicContact CB-CH2 4.22Å; Q234-W238 HydrophobicContact CB-CZ2 3.78Å; Q234-W238 PolarHBondContact O-N 3.5Å; L236-W238 VanDerWaalsContact C-N 3.31Å; L236-W238 PolarHBondContact O-N 3.26Å; W238-A242 VanDerWaalsContact O-CB 3.31Å; W238-A242 WeakPolarHBondContact O-CB 3.21Å; W238-A242 PolarHBondContact O-N 3Å; W238-V377 HydrophobicContact CB-CG1 3.56Å; W238-T379 HydrophobicContact CD2-CG2 4.11Å; W238-T379 HydrophobicContact CE3-CG2 3.94Å; W238-T379 HydrophobicContact CH2-CG2 3.95Å; W238-T379 HydrophobicContact CZ2-CG2 4.09Å; W238-T379 HydrophobicContact CZ3-CG2 3.87Å
239R88.8Confident87.1Confident54 Ų5433.8 Ų33.820%0.20417%0.169CC..Hα-helixtrans-64.7-52.2175.9-74.1178.517879.95.8111.6G235 L236 V237 T241 A242 V243 K365 L368 D369 L372 V377G235-R239 WeakPolarHBondContact O-CG 3.42Å; G235-R239 PolarHBondContact O-NH1 3.45Å; L236-R239 PolarHBondContact O-N 3.44Å; V237-R239 VanDerWaalsContact C-N 3.32Å; V237-R239 PolarHBondContact O-N 2.87Å; R239-T241 VanDerWaalsContact C-N 3.29Å; R239-T241 PolarHBondContact O-N 2.9Å; R239-A242 PolarHBondContact O-N 3.49Å; R239-V243 WeakPolarHBondContact O-CG2 3.04Å; R239-V243 PolarHBondContact O-N 3.49Å; R239-K365 VanDerWaalsContact NH2-CE 3.29Å; R239-L368 HydrophobicContact CB-CD1 4.42Å; R239-D369 IonicContact NE-OD1 3.7Å; R239-D369 PolarHBondContact NE-OD1 3.22Å; R239-L372 HydrophobicContact CB-CD1 4.29Å; R239-L372 HydrophobicContact CG-CD1 4.15Å; R239-V377 HydrophobicContact CG-CG1 4.32Å; R239-V377 HydrophobicContact CG-CG2 4.38Å
240Y88.8Confident85.6Confident3 Ų337.3 Ų37.31%0.01219%0.194CC..Hα-helixtrans-60.3-40.8178.2-78.4-66.5000112.1L236 V237 V243 L244 L264 A267 V271 Q359 F363 L368L236-Y240 HydrophobicContact CB-CD2 4.42Å; L236-Y240 HydrophobicContact CB-CE2 4.4Å; L236-Y240 VanDerWaalsContact O-CD2 3.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 PolarHBondContact O-N 2.97Å; V237-Y240 PolarHBondContact O-N 2.91Å; Y240-V243 PolarHBondContact O-N 3.47Å; Y240-L244 WeakPolarHBondContact O-CB 3.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.5Å; Y240-L244 PolarHBondContact O-N 3.3Å; Y240-L264 HydrophobicContact CD1-CD2 4.24Å; Y240-L264 HydrophobicContact CE1-CD2 4.05Å; Y240-A267 HydrophobicContact CD1-CB 4.36Å; Y240-A267 HydrophobicContact CE1-CB 3.73Å; Y240-V271 HydrophobicContact CD2-CG2 4.02Å; Y240-V271 HydrophobicContact CE2-CG2 3.84Å; Y240-Q359 PolarHBondContact OH-OE1 3.23Å; Y240-F363 HydrophobicContact CE1-CB 4.2Å; Y240-F363 HydrophobicContact CE1-CD2 4.17Å; Y240-F363 HydrophobicContact CE1-CG 4.32Å; Y240-F363 WeakPolarHBondContact OH-CB 3.42Å; Y240-L368 HydrophobicContact CD1-CD1 4.33Å; Y240-L368 HydrophobicContact CD1-CD2 3.94Å; Y240-L368 HydrophobicContact CD2-CD1 4.47Å; Y240-L368 HydrophobicContact CE1-CD1 3.93Å; Y240-L368 HydrophobicContact CE1-CD2 3.69Å; Y240-L368 HydrophobicContact CE1-CG 4.42Å; Y240-L368 HydrophobicContact CE2-CD1 4.07Å
241T88.6Confident83.9Confident0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-62.4-46.9177-52.10000110.5V237 R239 V243 L244 E245 R272 L434V237-T241 WeakPolarHBondContact O-CB 3.39Å; V237-T241 PolarHBondContact O-N 2.88Å; V237-T241 PolarHBondContact O-OG1 3.21Å; R239-T241 VanDerWaalsContact C-N 3.29Å; R239-T241 PolarHBondContact O-N 2.9Å; T241-V243 PolarHBondContact O-N 3.44Å; T241-L244 PolarHBondContact O-N 3.11Å; T241-E245 HydrophobicContact CG2-CG 4.36Å; T241-E245 WeakPolarHBondContact O-CB 3.49Å; T241-E245 VanDerWaalsContact O-CG 3.26Å; T241-E245 WeakPolarHBondContact O-CG 3.32Å; T241-E245 PolarHBondContact O-N 3.02Å; T241-R272 PolarHBondContact OG1-NH2 3.16Å; T241-L434 HydrophobicContact CG2-CD2 3.57Å
242A86.7Confident82.2Confident3 Ų344.5 Ų44.53%0.02523%0.226CC..Hα-helixtrans-64.8-40179.300000113.1W238 R239 E245 K246 L372W238-A242 VanDerWaalsContact O-CB 3.31Å; W238-A242 WeakPolarHBondContact O-CB 3.21Å; W238-A242 PolarHBondContact O-N 3Å; R239-A242 PolarHBondContact O-N 3.49Å; A242-E245 PolarHBondContact O-N 2.9Å; A242-K246 PolarHBondContact O-N 2.81Å; A242-K246 VanDerWaalsContact O-N 3.08Å; A242-L372 HydrophobicContact CB-CD2 3.69Å
243V85.8Confident80.1Confident3 Ų347.7 Ų47.72%0.01824%0.239CC..Hα-helixtrans-61.4-48.4174.8170.20000110.3R239 Y240 T241 K246 L247 L264 L368 L371 L372R239-V243 WeakPolarHBondContact O-CG2 3.04Å; R239-V243 PolarHBondContact O-N 3.49Å; Y240-V243 PolarHBondContact O-N 3.47Å; T241-V243 PolarHBondContact O-N 3.44Å; V243-K246 PolarHBondContact O-N 2.67Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.34Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.23Å; V243-L247 PolarHBondContact O-N 2.69Å; V243-L264 HydrophobicContact CG1-CD1 4.35Å; V243-L368 HydrophobicContact CG2-CD2 4.43Å; V243-L371 HydrophobicContact CG1-CB 4.38Å; V243-L371 HydrophobicContact CG1-CD1 4.02Å; V243-L371 HydrophobicContact CG2-CB 4.12Å; V243-L372 HydrophobicContact CG2-CD1 4.17Å; V243-L372 HydrophobicContact CG2-CD2 3.73Å; V243-L372 HydrophobicContact CG2-CG 3.7Å
244L85.1Confident78Confident2 Ų253.5 Ų53.51%0.0128%0.279CS..Hα-helixtrans-69.6-34.7-179.6-71.6168.4000112.4Y240 T241 K246 L247 T248 I261 L264 K265 L268 L432Y240-L244 WeakPolarHBondContact O-CB 3.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.5Å; Y240-L244 PolarHBondContact O-N 3.3Å; T241-L244 PolarHBondContact O-N 3.11Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 2.76Å; L244-T248 WeakPolarHBondContact O-CB 3.46Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 2.67Å; L244-T248 PolarHBondContact O-OG1 3.25Å; L244-I261 HydrophobicContact CD2-CG2 4.44Å; L244-L264 HydrophobicContact CD2-CB 3.96Å; L244-K265 HydrophobicContact CD1-CG 4.37Å; L244-K265 HydrophobicContact CD2-CG 4.15Å; L244-L268 HydrophobicContact CD1-CB 3.84Å; L244-L268 HydrophobicContact CD1-CD2 3.59Å; L244-L268 HydrophobicContact CD1-CG 4.3Å; L244-L432 HydrophobicContact CB-CD1 3.63Å
245E84.9Confident75.5Confident50 Ų5055 Ų5523%0.23430%0.3CS..Hα-helixtrans-58.6-41.7171.8-78.9172.5143.400111.7T241 A242 R383 L432 L434T241-E245 HydrophobicContact CG2-CG 4.36Å; T241-E245 WeakPolarHBondContact O-CB 3.49Å; T241-E245 VanDerWaalsContact O-CG 3.26Å; T241-E245 WeakPolarHBondContact O-CG 3.32Å; T241-E245 PolarHBondContact O-N 3.02Å; A242-E245 PolarHBondContact O-N 2.9Å; E245-R383 IonicContact OE1-CZ 2.68Å; E245-R383 IonicContact OE1-NE 3.71Å; E245-R383 PolarHBondContact OE1-NE 2.75Å; E245-R383 IonicContact OE2-CZ 3.71Å; E245-R383 IonicContact OE2-NE 3.74Å; E245-R383 PolarHBondContact OE2-NE 2.64Å; E245-R383 IonicContact OE2-NH2 3.61Å; E245-R383 PolarHBondContact OE2-NH2 3.38Å; E245-L432 HydrophobicContact CG-CD2 4.09Å; E245-L434 HydrophobicContact CG-CD2 4.01Å; E245-L434 VanDerWaalsContact OE1-CD2 3.25Å; E245-L434 WeakPolarHBondContact OE1-CD2 3.4Å
246K81.8Confident73.3Confident78 Ų7863.7 Ų63.734%0.33934%0.338SS..Hα-helixtrans-67-49.5175-176.9179.2174.5-175.70111.2A242 V243 L244 T248 H249 I252 L371A242-K246 PolarHBondContact O-N 2.81Å; A242-K246 VanDerWaalsContact O-N 3.08Å; V243-K246 PolarHBondContact O-N 2.67Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.04Å; K246-T248 VanDerWaalsContact C-N 3.32Å; K246-T248 PolarHBondContact O-N 2.76Å; K246-H249 PolarHBondContact O-N 3.4Å; K246-I252 HydrophobicContact CG-CD1 4.39Å; K246-I252 WeakPolarHBondContact O-CD1 3.35Å; K246-L371 PolarHBondContact NZ-O 3.29Å
247L77Confident71.1Confident43 Ų4364.8 Ų64.823%0.22535%0.348CS..Hα-helixtrans-70.5-25.6-175.2-67.3176000114V243 L244 M259 L264V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.34Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.23Å; V243-L247 PolarHBondContact O-N 2.69Å; L244-L247 PolarHBondContact O-N 2.76Å; L247-M259 HydrophobicContact CD1-CE 4.4Å; L247-L264 HydrophobicContact CD1-CD1 3.95Å
248T74.1Confident69.2Low29 Ų2974.8 Ų74.818%0.17840%0.395CS..THydrogen-bonded Turntrans-98.313.7-179.761.70000112.9L244 K246 R429L244-T248 WeakPolarHBondContact O-CB 3.46Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 2.67Å; L244-T248 PolarHBondContact O-OG1 3.25Å; K246-T248 VanDerWaalsContact C-N 3.32Å; K246-T248 PolarHBondContact O-N 2.76Å; T248-R429 WeakPolarHBondContact O-CD 3.34Å; T248-R429 PolarHBondContact O-NH1 2.84Å
249H71.4Confident67.8Low84 Ų8473.5 Ų73.539%0.38939%0.392SS..  trans-71.8133.9178.9-149.8-85000111.7K246 N251 I252K246-H249 PolarHBondContact O-N 3.4Å; H249-N251 PolarHBondContact O-N 3.28Å; H249-I252 HydrophobicContact CB-CD1 4.11Å; H249-I252 PolarHBondContact O-N 2.87Å; H249-I252 VanDerWaalsContact O-N 3.09Å
250P61.5Low66.9Low94 Ų9473.3 Ų73.361%0.6140%0.398SS*.THydrogen-bonded Turntrans-64.7-20.3-171.7-17.631.8000113.5
251N57.9Low66.5Low140 Ų14075.8 Ų75.875%0.74941%0.41SS*.THydrogen-bonded Turntrans-88.5-5.8-177.8-65.1-13.5000113.5H249H249-N251 PolarHBondContact O-N 3.28Å
252I57.5Low66.3Low89 Ų8980 Ų8046%0.45643%0.433SS..SBendtrans-98.8103.9175.6-66.9165.2000106.6K246 H249 S254K246-I252 HydrophobicContact CG-CD1 4.39Å; K246-I252 WeakPolarHBondContact O-CD1 3.35Å; H249-I252 HydrophobicContact CB-CD1 4.11Å; H249-I252 PolarHBondContact O-N 2.87Å; H249-I252 VanDerWaalsContact O-N 3.09Å; I252-S254 PolarHBondContact O-N 2.93Å; I252-S254 VanDerWaalsContact O-N 3.15Å
253Q47.5Very low66.2Low171 Ų17182.4 Ų82.480%0.79944%0.444SS*.  trans-57.6121.3171.5-76.8-179.6-5.800108.5A255Q253-A255 HydrophobicContact CB-CB 4.4Å; Q253-A255 PolarHBondContact O-N 2.71Å
254S46.8Very low66.2Low122 Ų12282.3 Ų82.385%0.85344%0.443SS*.THydrogen-bonded Turntrans-67.941.217558.30000112.7I252I252-S254 PolarHBondContact O-N 2.93Å; I252-S254 VanDerWaalsContact O-N 3.15Å
255A41.6Very low66.3Low79 Ų7982.5 Ų82.565%0.65344%0.444SS*.THydrogen-bonded Turntrans-105-2.6-173.700000113.3Q253Q253-A255 HydrophobicContact CB-CB 4.4Å; Q253-A255 PolarHBondContact O-N 2.71Å
256Q42.8Very low66.5Low191 Ų19181.9 Ų81.989%0.89344%0.441SS*.SBendtrans-139.837-176.8-71.2-173.5-20.300114.3
257C43.7Very low67Low63 Ų6378.1 Ų78.143%0.42643%0.425SS..  trans-13599.6173.4-121.10000111.4M259C257-M259 HydrophobicContact CB-CB 4.15Å; C257-M259 HydrophobicContact CB-CG 4.41Å; C257-M259 PolarHBondContact O-N 3.43Å; C257-M259 WeakPolarHBondContact SG-CG 3.45Å; C257-M259 VanDerWaalsContact SG-SD 3.63Å
258E50.4Low67.6Low210 Ų21076.1 Ų76.198%0.98141%0.414SS*.  trans-66.227.7159.9-64.3-176.3155.600111.9
259M60.7Low68.5Low36 Ų3674.8 Ų74.818%0.17741%0.406CS..  trans-93.3139-171.5-79.3-160.745.500111.5L247 C257 I261 L264 Y367 L371L247-M259 HydrophobicContact CD1-CE 4.4Å; C257-M259 HydrophobicContact CB-CB 4.15Å; C257-M259 HydrophobicContact CB-CG 4.41Å; C257-M259 PolarHBondContact O-N 3.43Å; C257-M259 WeakPolarHBondContact SG-CG 3.45Å; C257-M259 VanDerWaalsContact SG-SD 3.63Å; M259-I261 PolarHBondContact O-N 2.68Å; M259-L264 HydrophobicContact CE-CD1 3.67Å; M259-Y367 HydrophobicContact CE-CE1 4.37Å; M259-Y367 WeakPolarHBondContact CE-OH 3.13Å; M259-L371 HydrophobicContact CE-CD1 3.71Å; M259-L371 HydrophobicContact CE-CD2 3.85Å; M259-L371 HydrophobicContact CE-CG 4.45Å; M259-L371 HydrophobicContact SD-CD2 3.6Å; M259-L371 VanDerWaalsContact SD-CD2 3.6Å
260P71Confident69.6Low50 Ų5070.8 Ų70.833%0.32539%0.387SS..  trans-78.773.9-177.933.8-35.9000110.6N262 Q263 L264 F363P260-N262 PolarHBondContact O-N 2.94Å; P260-Q263 HydrophobicContact CB-CB 3.97Å; P260-Q263 HydrophobicContact CB-CG 3.95Å; P260-Q263 HydrophobicContact CG-CB 4.37Å; P260-Q263 WeakPolarHBondContact O-CB 3.28Å; P260-Q263 PolarHBondContact O-N 3.42Å; P260-L264 PolarHBondContact O-N 3.29Å; P260-F363 HydrophobicContact CG-CE1 4.4Å; P260-F363 HydrophobicContact CG-CZ 4.35Å
261I80.8Confident71.1Confident54 Ų5466.3 Ų66.328%0.27736%0.358SS..Hα-helixtrans-53.9-40.2-179-65174.3000111.2L244 M259 Q263 L264 K265L244-I261 HydrophobicContact CD2-CG2 4.44Å; M259-I261 PolarHBondContact O-N 2.68Å; I261-Q263 VanDerWaalsContact C-N 3.33Å; I261-Q263 PolarHBondContact O-N 2.54Å; I261-L264 WeakPolarHBondContact O-CB 3.36Å; I261-L264 PolarHBondContact O-N 3.5Å; I261-K265 HydrophobicContact CG2-CD 4.43Å; I261-K265 WeakPolarHBondContact O-CG 3.42Å; I261-K265 PolarHBondContact O-N 3.24Å
262N83.3Confident72.8Confident90 Ų9060 Ų6048%0.48132%0.324SS..Hα-helixtrans-63.8-36.5177.4-71.7-18.9000112.6P260 K265 Q266P260-N262 PolarHBondContact O-N 2.94Å; N262-K265 WeakPolarHBondContact O-CB 3.48Å; N262-K265 PolarHBondContact O-N 3.48Å; N262-Q266 VanDerWaalsContact O-CG 3.29Å; N262-Q266 WeakPolarHBondContact O-CG 3.49Å; N262-Q266 PolarHBondContact O-N 2.83Å
263Q83.8Confident74.5Confident53 Ų5355.9 Ų55.925%0.24830%0.303CS..Hα-helixtrans-72.1-33.9176.1-64.1176.73.500111.5P260 I261 Q266 A267 R362 F363P260-Q263 HydrophobicContact CB-CB 3.97Å; P260-Q263 HydrophobicContact CB-CG 3.95Å; P260-Q263 HydrophobicContact CG-CB 4.37Å; P260-Q263 WeakPolarHBondContact O-CB 3.28Å; P260-Q263 PolarHBondContact O-N 3.42Å; I261-Q263 VanDerWaalsContact C-N 3.33Å; I261-Q263 PolarHBondContact O-N 2.54Å; Q263-Q266 PolarHBondContact O-N 3.37Å; Q263-A267 WeakPolarHBondContact O-CB 3.35Å; Q263-A267 PolarHBondContact O-N 3.01Å; Q263-R362 VanDerWaalsContact OE1-NH1 3.09Å; Q263-F363 HydrophobicContact CB-CE2 4.22Å; Q263-F363 HydrophobicContact CB-CZ 3.9Å
264L86.5Confident76.8Confident0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-65.1-38.9171.5-75.1170.7000111.9Y240 V243 L244 L247 M259 P260 I261 A267 L268 F363 L368Y240-L264 HydrophobicContact CD1-CD2 4.24Å; Y240-L264 HydrophobicContact CE1-CD2 4.05Å; V243-L264 HydrophobicContact CG1-CD1 4.35Å; L244-L264 HydrophobicContact CD2-CB 3.96Å; L247-L264 HydrophobicContact CD1-CD1 3.95Å; M259-L264 HydrophobicContact CE-CD1 3.67Å; P260-L264 PolarHBondContact O-N 3.29Å; I261-L264 WeakPolarHBondContact O-CB 3.36Å; I261-L264 PolarHBondContact O-N 3.5Å; L264-A267 PolarHBondContact O-N 3.18Å; L264-L268 PolarHBondContact O-N 3Å; L264-F363 HydrophobicContact CD2-CD1 3.7Å; L264-F363 HydrophobicContact CD2-CD2 4.15Å; L264-F363 HydrophobicContact CD2-CE1 3.54Å; L264-F363 HydrophobicContact CD2-CE2 4.01Å; L264-F363 HydrophobicContact CD2-CG 4.01Å; L264-F363 HydrophobicContact CD2-CZ 3.7Å; L264-F363 HydrophobicContact CG-CE1 3.92Å; L264-F363 HydrophobicContact CG-CE2 4.44Å; L264-F363 HydrophobicContact CG-CZ 3.85Å; L264-L368 HydrophobicContact CD2-CD2 4.35Å
265K88Confident79Confident6 Ų642.2 Ų42.23%0.02623%0.226CC..Hα-helixtrans-62-49.3172.3-70.1173.5-173.7170.10111.1L244 I261 N262 A267 L268 Y269 D430 F479L244-K265 HydrophobicContact CD1-CG 4.37Å; L244-K265 HydrophobicContact CD2-CG 4.15Å; I261-K265 HydrophobicContact CG2-CD 4.43Å; I261-K265 WeakPolarHBondContact O-CG 3.42Å; I261-K265 PolarHBondContact O-N 3.24Å; N262-K265 WeakPolarHBondContact O-CB 3.48Å; N262-K265 PolarHBondContact O-N 3.48Å; K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 3.38Å; K265-L268 WeakPolarHBondContact O-CB 3.39Å; K265-L268 PolarHBondContact O-N 2.81Å; K265-L268 VanDerWaalsContact O-N 3.1Å; K265-Y269 HydrophobicContact CB-CE2 4.07Å; K265-Y269 VanDerWaalsContact O-CD1 3.28Å; K265-Y269 WeakPolarHBondContact O-CD1 3.43Å; K265-Y269 WeakPolarHBondContact O-CD2 3.46Å; K265-Y269 PolarHBondContact O-N 3.43Å; K265-D430 WeakPolarHBondContact CE-O 3.31Å; K265-D430 PolarHBondContact NZ-O 3.34Å; K265-D430 IonicContact NZ-OD2 2.74Å; K265-D430 PolarHBondContact NZ-OD2 3.5Å; K265-F479 HydrophobicContact CD-CZ 4.32Å
266Q89.6Confident81.4Confident37 Ų3740 Ų4017%0.17321%0.205CC..Hα-helixtrans-58-40.5175.8-72.3177.2-26.700112.3P76 N262 Q263 Y269 N270 F479 E481P76-Q266 HydrophobicContact CB-CB 4.12Å; N262-Q266 VanDerWaalsContact O-CG 3.29Å; N262-Q266 WeakPolarHBondContact O-CG 3.49Å; N262-Q266 PolarHBondContact O-N 2.83Å; Q263-Q266 PolarHBondContact O-N 3.37Å; Q266-Y269 PolarHBondContact O-N 3.35Å; Q266-N270 WeakPolarHBondContact O-CB 3.34Å; Q266-N270 PolarHBondContact O-N 3.47Å; Q266-F479 HydrophobicContact CG-CD1 4.41Å; Q266-E481 WeakPolarHBondContact CG-OE1 3.47Å
267A90.5Very high83.9Confident0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-64.3-44.6174.200000111.5P76 Y240 Q263 L264 K265 Y269 N270 V271 Q359 F363P76-A267 HydrophobicContact CB-CB 4.37Å; P76-A267 HydrophobicContact CG-CB 4.41Å; Y240-A267 HydrophobicContact CD1-CB 4.36Å; Y240-A267 HydrophobicContact CE1-CB 3.73Å; Q263-A267 WeakPolarHBondContact O-CB 3.35Å; Q263-A267 PolarHBondContact O-N 3.01Å; L264-A267 PolarHBondContact O-N 3.18Å; K265-A267 VanDerWaalsContact C-N 3.29Å; K265-A267 PolarHBondContact O-N 3.38Å; A267-Y269 VanDerWaalsContact C-N 3.31Å; A267-Y269 PolarHBondContact O-N 3.01Å; A267-N270 WeakPolarHBondContact O-CB 3.43Å; A267-N270 PolarHBondContact O-N 3.21Å; A267-V271 WeakPolarHBondContact O-CG2 3.2Å; A267-V271 PolarHBondContact O-N 2.9Å; A267-Q359 HydrophobicContact CB-CB 4.13Å; A267-F363 HydrophobicContact CB-CD2 3.95Å; A267-F363 HydrophobicContact CB-CE2 4.02Å
268L91.2Very high86.3Confident0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-56.8-45.5173.217664.6000111.3L244 L264 K265 N270 V271 R272 L432 L433L244-L268 HydrophobicContact CD1-CB 3.84Å; L244-L268 HydrophobicContact CD1-CD2 3.59Å; L244-L268 HydrophobicContact CD1-CG 4.3Å; L264-L268 PolarHBondContact O-N 3Å; K265-L268 WeakPolarHBondContact O-CB 3.39Å; K265-L268 PolarHBondContact O-N 2.81Å; K265-L268 VanDerWaalsContact O-N 3.1Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 2.95Å; L268-V271 PolarHBondContact O-N 2.85Å; L268-R272 HydrophobicContact CD1-CG 3.88Å; L268-R272 HydrophobicContact CG-CG 4.17Å; L268-R272 WeakPolarHBondContact O-CB 3.4Å; L268-R272 VanDerWaalsContact O-CG 3.25Å; L268-R272 WeakPolarHBondContact O-CG 3.48Å; L268-R272 PolarHBondContact O-N 3.46Å; L268-L432 HydrophobicContact CD2-CD1 4.49Å; L268-L433 HydrophobicContact CD2-CB 4.48Å
269Y92.7Very high88.3Confident1 Ų122.7 Ų22.70%0.00412%0.116CC..Hα-helixtrans-62.5-41.2179.8-55.6-21.8000111.7K265 Q266 A267 R272 Q273 G431 L433 F479 E481 L482K265-Y269 HydrophobicContact CB-CE2 4.07Å; K265-Y269 VanDerWaalsContact O-CD1 3.28Å; K265-Y269 WeakPolarHBondContact O-CD1 3.43Å; K265-Y269 WeakPolarHBondContact O-CD2 3.46Å; K265-Y269 PolarHBondContact O-N 3.43Å; Q266-Y269 PolarHBondContact O-N 3.35Å; A267-Y269 VanDerWaalsContact C-N 3.31Å; A267-Y269 PolarHBondContact O-N 3.01Å; Y269-R272 PolarHBondContact O-N 3.31Å; Y269-Q273 WeakPolarHBondContact O-CB 3.48Å; Y269-Q273 PolarHBondContact O-N 3.17Å; Y269-G431 WeakPolarHBondContact CE1-O 3.4Å; Y269-G431 PolarHBondContact OH-O 3.38Å; Y269-L433 HydrophobicContact CD1-CD1 3.5Å; Y269-L433 VanDerWaalsContact CD1-CD1 3.5Å; Y269-L433 HydrophobicContact CD1-CG 4.15Å; Y269-L433 HydrophobicContact CE1-CD1 3.71Å; Y269-L433 HydrophobicContact CE1-CG 3.83Å; Y269-F479 HydrophobicContact CE2-CB 4.05Å; Y269-F479 AromaticContact CE2-CD1 3.86Å; Y269-F479 HydrophobicContact CE2-CD1 3.86Å; Y269-F479 HydrophobicContact CE2-CD2 4.39Å; Y269-F479 HydrophobicContact CE2-CE1 4.42Å; Y269-F479 AromaticContact CE2-CG 3.85Å; Y269-F479 HydrophobicContact CE2-CG 3.85Å; Y269-E481 HydrophobicContact CD2-CG 3.88Å; Y269-E481 HydrophobicContact CG-CG 4.46Å; Y269-L482 HydrophobicContact CD1-CD2 3.65Å; Y269-L482 HydrophobicContact CD2-CD1 4.41Å; Y269-L482 HydrophobicContact CD2-CD2 3.72Å; Y269-L482 HydrophobicContact CD2-CG 3.95Å; Y269-L482 HydrophobicContact CE1-CD2 3.86Å; Y269-L482 HydrophobicContact CE2-CD1 3.87Å; Y269-L482 HydrophobicContact CE2-CD2 3.92Å; Y269-L482 HydrophobicContact CE2-CG 3.93Å; Y269-L482 HydrophobicContact CG-CD2 3.58Å; Y269-L482 HydrophobicContact CG-CG 4.33Å
270N94.3Very high89.8Confident0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-57.2-52.7174.2-177.9-105.9000111.9P76 T80 M83 Q266 A267 L268 R272 Q273 H274 F355 L356P76-N270 HydrophobicContact CB-CB 4.46Å; T80-N270 WeakPolarHBondContact OG1-CA 3.38Å; T80-N270 WeakPolarHBondContact OG1-CB 3.5Å; T80-N270 PolarHBondContact OG1-ND2 3.4Å; M83-N270 WeakPolarHBondContact CE-O 3.2Å; Q266-N270 WeakPolarHBondContact O-CB 3.34Å; Q266-N270 PolarHBondContact O-N 3.47Å; A267-N270 WeakPolarHBondContact O-CB 3.43Å; A267-N270 PolarHBondContact O-N 3.21Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 2.95Å; N270-R272 PolarHBondContact O-N 3.17Å; N270-Q273 PolarHBondContact O-N 3.38Å; N270-H274 PolarHBondContact O-N 3.34Å; N270-F355 PolarHBondContact ND2-O 3.23Å; N270-F355 VanDerWaalsContact ND2-O 3.16Å; N270-F355 PolarHBondContact OD1-O 2.99Å; N270-L356 VanDerWaalsContact OD1-CD2 3.23Å; N270-L356 WeakPolarHBondContact OD1-CD2 3.45Å
271V93.3Very high90.9Very high0 Ų020.7 Ų20.70%010%0.103CC..Hα-helixtrans-67.9-37.1-179.1-1650000111.7T233 L236 V237 Y240 A267 L268 H274 E275 Q359T233-V271 HydrophobicContact CG2-CG1 3.53Å; T233-V271 WeakPolarHBondContact O-CG1 3.46Å; L236-V271 HydrophobicContact CB-CG1 3.87Å; L236-V271 HydrophobicContact CB-CG2 4.42Å; V237-V271 HydrophobicContact CB-CG1 4.39Å; V237-V271 HydrophobicContact CG2-CB 3.95Å; V237-V271 HydrophobicContact CG2-CG1 3.35Å; Y240-V271 HydrophobicContact CD2-CG2 4.02Å; Y240-V271 HydrophobicContact CE2-CG2 3.84Å; A267-V271 WeakPolarHBondContact O-CG2 3.2Å; A267-V271 PolarHBondContact O-N 2.9Å; L268-V271 PolarHBondContact O-N 2.85Å; V271-H274 PolarHBondContact O-N 3.13Å; V271-E275 WeakPolarHBondContact O-CB 3.48Å; V271-E275 PolarHBondContact O-N 2.83Å; V271-Q359 VanDerWaalsContact CG2-CD 3.44Å
272R93.6Very high91.5Very high7 Ų720.7 Ų20.73%0.02610%0.102CC..Hα-helixtrans-64-41.1175.7-75.6-67.6-168.3-174.6-4.2112.2V237 T241 L268 Y269 N270 E275 S276 D380 L485V237-R272 VanDerWaalsContact CG1-NH2 3.29Å; T241-R272 PolarHBondContact OG1-NH2 3.16Å; L268-R272 HydrophobicContact CD1-CG 3.88Å; L268-R272 HydrophobicContact CG-CG 4.17Å; L268-R272 WeakPolarHBondContact O-CB 3.4Å; L268-R272 VanDerWaalsContact O-CG 3.25Å; L268-R272 WeakPolarHBondContact O-CG 3.48Å; L268-R272 PolarHBondContact O-N 3.46Å; Y269-R272 PolarHBondContact O-N 3.31Å; N270-R272 PolarHBondContact O-N 3.17Å; R272-E275 IonicContact CZ-OE2 2.76Å; R272-E275 IonicContact NH1-OE2 3.08Å; R272-E275 PolarHBondContact NH1-OE2 3.13Å; R272-E275 PolarHBondContact O-N 2.77Å; R272-S276 PolarHBondContact O-N 2.83Å; R272-D380 IonicContact CZ-OD2 2.78Å; R272-D380 IonicContact NH1-OD2 2.64Å; R272-D380 PolarHBondContact NH1-OD2 3.41Å; R272-D380 IonicContact NH2-OD1 3.71Å; R272-D380 PolarHBondContact NH2-OD1 3.31Å; R272-D380 IonicContact NH2-OD2 2.75Å; R272-D380 PolarHBondContact NH2-OD2 2.95Å; R272-D380 VanDerWaalsContact NH2-OD2 3.08Å; R272-L485 HydrophobicContact CB-CD1 4.45Å; R272-L485 HydrophobicContact CB-CD2 4.03Å
273Q92.9Very high91.9Very high4 Ų419.7 Ų19.72%0.01910%0.102CC..Hα-helixtrans-64.7-42.8174.9-174.768.851.300111.2T80 M83 Q84 Y269 N270 S276 F277 L485T80-Q273 HydrophobicContact CG2-CB 3.88Å; T80-Q273 HydrophobicContact CG2-CG 4.07Å; M83-Q273 HydrophobicContact CE-CB 3.6Å; M83-Q273 HydrophobicContact CE-CG 3.55Å; Q84-Q273 HydrophobicContact CG-CG 3.85Å; Y269-Q273 WeakPolarHBondContact O-CB 3.48Å; Y269-Q273 PolarHBondContact O-N 3.17Å; N270-Q273 PolarHBondContact O-N 3.38Å; Q273-S276 WeakPolarHBondContact O-CB 3.21Å; Q273-S276 PolarHBondContact O-N 3.45Å; Q273-F277 HydrophobicContact CG-CD2 4.15Å; Q273-F277 HydrophobicContact CG-CE2 3.68Å; Q273-F277 HydrophobicContact CG-CZ 4.13Å; Q273-F277 PolarHBondContact O-N 3.09Å; Q273-L485 HydrophobicContact CB-CD1 4.38Å; Q273-L485 VanDerWaalsContact OE1-CB 3.25Å
274H94.9Very high92.3Very high0 Ų019.2 Ų19.20%010%0.101CC..Hα-helixtrans-62.4-45.6176.3-17066.7000111.5M83 T233 N270 V271 S276 F277 L278 L352 L356M83-H274 HydrophobicContact CE-CB 4Å; M83-H274 HydrophobicContact SD-CB 3.77Å; T233-H274 HydrophobicContact CG2-CB 4.32Å; T233-H274 PolarHBondContact OG1-CD2 2.91Å; T233-H274 VanDerWaalsContact OG1-CD2 3.25Å; N270-H274 PolarHBondContact O-N 3.34Å; V271-H274 PolarHBondContact O-N 3.13Å; H274-S276 VanDerWaalsContact C-N 3.3Å; H274-S276 PolarHBondContact O-N 2.88Å; H274-F277 PolarHBondContact O-N 3.29Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.35Å; H274-L278 WeakPolarHBondContact O-CG 3.26Å; H274-L278 PolarHBondContact O-N 3.44Å; H274-L352 VanDerWaalsContact CE1-CB 3.48Å; H274-L352 WeakPolarHBondContact CE1-CB 3.35Å; H274-L356 HydrophobicContact CB-CD2 3.95Å
275E94.2Very high92.5Very high6 Ų619.2 Ų19.23%0.02810%0.101CC..Hα-helixtrans-55.1-45.8174.1-171.2-163.617900111.2L230 T233 Q234 V237 V271 R272 F277 L278 K279L230-E275 HydrophobicContact CD1-CG 3.94Å; T233-E275 HydrophobicContact CG2-CB 3.94Å; Q234-E275 HydrophobicContact CG-CG 4.14Å; V237-E275 HydrophobicContact CG2-CB 4.28Å; V271-E275 WeakPolarHBondContact O-CB 3.48Å; V271-E275 PolarHBondContact O-N 2.83Å; R272-E275 IonicContact CZ-OE2 2.76Å; R272-E275 IonicContact NH1-OE2 3.08Å; R272-E275 PolarHBondContact NH1-OE2 3.13Å; R272-E275 PolarHBondContact O-N 2.77Å; E275-F277 PolarHBondContact O-N 2.67Å; E275-L278 PolarHBondContact O-N 3.06Å; E275-K279 HydrophobicContact CG-CD 4.47Å; E275-K279 WeakPolarHBondContact O-CG 3.42Å; E275-K279 PolarHBondContact O-N 3.44Å; E275-K279 WeakPolarHBondContact OE1-CE 3.45Å; E275-K279 IonicContact OE1-NZ 2.81Å; E275-K279 PolarHBondContact OE1-NZ 2.95Å; E275-K279 IonicContact OE2-NZ 2.67Å
276S92.2Very high92.6Very high32 Ų3220.5 Ų20.522%0.22411%0.111CC..Hα-helixtrans-61.2-44.2178.7-173.70000112.1R272 Q273 H274 K279 I280R272-S276 PolarHBondContact O-N 2.83Å; Q273-S276 WeakPolarHBondContact O-CB 3.21Å; Q273-S276 PolarHBondContact O-N 3.45Å; H274-S276 VanDerWaalsContact C-N 3.3Å; H274-S276 PolarHBondContact O-N 2.88Å; S276-K279 PolarHBondContact O-N 3.14Å; S276-I280 WeakPolarHBondContact O-CG1 3.16Å; S276-I280 PolarHBondContact O-N 3.19Å
277F94.1Very high92.6Very high6 Ų621 Ų213%0.02612%0.116CC..Hα-helixtrans-67.4-42.2177.7-68.7-33.8000112M83 Q84 F87 Q273 H274 E275 K279 I280 L281 L352M83-F277 HydrophobicContact CG-CD2 4.17Å; M83-F277 HydrophobicContact CG-CE2 4.14Å; M83-F277 HydrophobicContact SD-CD2 4.4Å; Q84-F277 HydrophobicContact CG-CE2 4.33Å; Q84-F277 HydrophobicContact CG-CZ 4.22Å; F87-F277 HydrophobicContact CB-CD1 4.27Å; F87-F277 HydrophobicContact CB-CD2 3.97Å; F87-F277 HydrophobicContact CB-CE1 3.97Å; F87-F277 HydrophobicContact CB-CE2 3.63Å; F87-F277 HydrophobicContact CB-CG 4.27Å; F87-F277 HydrophobicContact CB-CZ 3.61Å; F87-F277 AromaticContact CD1-CD1 3.44Å; F87-F277 HydrophobicContact CD1-CD1 3.44Å; F87-F277 VanDerWaalsContact CD1-CD1 3.44Å; F87-F277 AromaticContact CD1-CE1 3.3Å; F87-F277 HydrophobicContact CD1-CE1 3.3Å; F87-F277 HydrophobicContact CD1-CE2 4.5Å; F87-F277 HydrophobicContact CD1-CG 4.13Å; F87-F277 AromaticContact CD1-CZ 3.87Å; F87-F277 HydrophobicContact CD1-CZ 3.87Å; F87-F277 HydrophobicContact CD2-CB 3.82Å; F87-F277 AromaticContact CD2-CD1 3.81Å; F87-F277 HydrophobicContact CD2-CD1 3.81Å; F87-F277 HydrophobicContact CD2-CD2 4.04Å; F87-F277 HydrophobicContact CD2-CE1 4.32Å; F87-F277 AromaticContact CD2-CG 3.65Å; F87-F277 HydrophobicContact CD2-CG 3.65Å; F87-F277 AromaticContact CE1-CD1 3.58Å; F87-F277 HydrophobicContact CE1-CD1 3.58Å; F87-F277 AromaticContact CE1-CE1 3.8Å; F87-F277 HydrophobicContact CE1-CE1 3.8Å; F87-F277 HydrophobicContact CE1-CG 4.38Å; F87-F277 HydrophobicContact CE2-CB 3.75Å; F87-F277 AromaticContact CE2-CD1 3.93Å; F87-F277 HydrophobicContact CE2-CD1 3.93Å; F87-F277 AromaticContact CE2-CG 3.93Å; F87-F277 HydrophobicContact CE2-CG 3.93Å; F87-F277 HydrophobicContact CG-CB 4.42Å; F87-F277 AromaticContact CG-CD1 3.55Å; F87-F277 HydrophobicContact CG-CD1 3.55Å; F87-F277 AromaticContact CG-CD2 3.96Å; F87-F277 HydrophobicContact CG-CD2 3.96Å; F87-F277 AromaticContact CG-CE1 3.6Å; F87-F277 HydrophobicContact CG-CE1 3.6Å; F87-F277 AromaticContact CG-CE2 3.98Å; F87-F277 HydrophobicContact CG-CE2 3.98Å; F87-F277 AromaticContact CG-CG 3.74Å; F87-F277 HydrophobicContact CG-CG 3.74Å; F87-F277 AromaticContact CG-CZ 3.79Å; F87-F277 HydrophobicContact CG-CZ 3.79Å; F87-F277 HydrophobicContact CZ-CB 4.3Å; F87-F277 AromaticContact CZ-CD1 3.82Å; F87-F277 HydrophobicContact CZ-CD1 3.82Å; F87-F277 HydrophobicContact CZ-CE1 4.48Å; F87-F277 HydrophobicContact CZ-CG 4.29Å; Q273-F277 HydrophobicContact CG-CD2 4.15Å; Q273-F277 HydrophobicContact CG-CE2 3.68Å; Q273-F277 HydrophobicContact CG-CZ 4.13Å; Q273-F277 PolarHBondContact O-N 3.09Å; H274-F277 PolarHBondContact O-N 3.29Å; E275-F277 PolarHBondContact O-N 2.67Å; F277-K279 VanDerWaalsContact C-N 3.31Å; F277-K279 PolarHBondContact O-N 3.4Å; F277-I280 HydrophobicContact CD1-CD1 4.47Å; F277-I280 WeakPolarHBondContact O-CB 3.47Å; F277-I280 PolarHBondContact O-N 3.06Å; F277-L281 WeakPolarHBondContact O-CG 3.45Å; F277-L281 PolarHBondContact O-N 3.32Å; F277-L352 HydrophobicContact CB-CD1 4.09Å; F277-L352 HydrophobicContact CD2-CD2 4.26Å
278L94.5Very high92.5Very high0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-62-37.1176-70.3-178.1000112.5E229 L230 T233 H274 E275 I280 L281 Q282 T349E229-L278 HydrophobicContact CB-CD1 4.24Å; E229-L278 HydrophobicContact CG-CD1 3.9Å; E229-L278 HydrophobicContact CG-CD2 4.38Å; L230-L278 HydrophobicContact CB-CB 4.33Å; L230-L278 HydrophobicContact CB-CD1 4.23Å; L230-L278 HydrophobicContact CD1-CB 3.85Å; L230-L278 HydrophobicContact CD1-CD1 4.39Å; T233-L278 HydrophobicContact CG2-CD1 4.46Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.35Å; H274-L278 WeakPolarHBondContact O-CG 3.26Å; H274-L278 PolarHBondContact O-N 3.44Å; E275-L278 PolarHBondContact O-N 3.06Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 PolarHBondContact O-N 3.33Å; L278-L281 PolarHBondContact O-N 3.02Å; L278-Q282 WeakPolarHBondContact O-CB 3.19Å; L278-Q282 PolarHBondContact O-N 2.96Å; L278-T349 HydrophobicContact CD2-CG2 3.8Å
279K92.7Very high92.3Very high94 Ų9422.6 Ų22.641%0.40913%0.127SC..Hα-helixtrans-61.7-40.9174.1-77.1175.4-178.4167.90112.3L230 E275 S276 F277 S283L230-K279 HydrophobicContact CD1-CG 4.11Å; L230-K279 HydrophobicContact CD2-CG 4.35Å; E275-K279 HydrophobicContact CG-CD 4.47Å; E275-K279 WeakPolarHBondContact O-CG 3.42Å; E275-K279 PolarHBondContact O-N 3.44Å; E275-K279 WeakPolarHBondContact OE1-CE 3.45Å; E275-K279 IonicContact OE1-NZ 2.81Å; E275-K279 PolarHBondContact OE1-NZ 2.95Å; E275-K279 IonicContact OE2-NZ 2.67Å; S276-K279 PolarHBondContact O-N 3.14Å; F277-K279 VanDerWaalsContact C-N 3.31Å; F277-K279 PolarHBondContact O-N 3.4Å; K279-S283 WeakPolarHBondContact O-CB 3.27Å; K279-S283 PolarHBondContact O-N 3.02Å
280I92.1Very high92.1Very high45 Ų4528.7 Ų28.723%0.23116%0.156CC..Hα-helixtrans-62.2-51.8175.2-65.3167.8000109.8F87 Y91 S276 F277 L278 Q282 S283 D284F87-I280 HydrophobicContact CE1-CD1 4.46Å; F87-I280 HydrophobicContact CZ-CB 4.46Å; F87-I280 HydrophobicContact CZ-CD1 4.44Å; F87-I280 HydrophobicContact CZ-CG2 4.24Å; Y91-I280 HydrophobicContact CE1-CG2 4.04Å; Y91-I280 HydrophobicContact CE2-CG2 3.95Å; Y91-I280 VanDerWaalsContact CZ-CG2 3.5Å; Y91-I280 VanDerWaalsContact OH-CG2 3.28Å; Y91-I280 WeakPolarHBondContact OH-CG2 3.5Å; S276-I280 WeakPolarHBondContact O-CG1 3.16Å; S276-I280 PolarHBondContact O-N 3.19Å; F277-I280 HydrophobicContact CD1-CD1 4.47Å; F277-I280 WeakPolarHBondContact O-CB 3.47Å; F277-I280 PolarHBondContact O-N 3.06Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 PolarHBondContact O-N 3.33Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 3.33Å; I280-S283 PolarHBondContact O-N 3.3Å; I280-D284 PolarHBondContact O-N 2.85Å; I280-D284 VanDerWaalsContact O-N 3.09Å
281L93.6Very high91.9Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-61.6-39.5-179.7-63.3174.9000112.2F87 Y91 F277 L278 D284 A285 L345 I348 T349 L352F87-L281 HydrophobicContact CE2-CD1 4.18Å; F87-L281 HydrophobicContact CE2-CD2 4.01Å; F87-L281 HydrophobicContact CE2-CG 4.02Å; F87-L281 HydrophobicContact CZ-CD2 4.44Å; Y91-L281 HydrophobicContact CD2-CD2 3.73Å; Y91-L281 HydrophobicContact CE2-CD2 3.94Å; F277-L281 WeakPolarHBondContact O-CG 3.45Å; F277-L281 PolarHBondContact O-N 3.32Å; L278-L281 PolarHBondContact O-N 3.02Å; L281-D284 PolarHBondContact O-N 2.95Å; L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 2.97Å; L281-L345 HydrophobicContact CD2-CD2 3.56Å; L281-I348 HydrophobicContact CD1-CB 4.42Å; L281-I348 HydrophobicContact CD1-CG2 3.93Å; L281-I348 HydrophobicContact CD2-CB 4.48Å; L281-I348 HydrophobicContact CD2-CG2 4.22Å; L281-T349 WeakPolarHBondContact CD1-OG1 3.25Å; L281-L352 HydrophobicContact CD1-CD1 3.92Å
282Q93.3Very high91.5Very high54 Ų5434.4 Ų34.425%0.25218%0.178SC..Hα-helixtrans-64.8-42.9176.9-176.2-15921.500111.9I226 K227 L278 I280 A285 S286I226-Q282 HydrophobicContact CG2-CB 4.09Å; K227-Q282 HydrophobicContact CG-CG 4.3Å; L278-Q282 WeakPolarHBondContact O-CB 3.19Å; L278-Q282 PolarHBondContact O-N 2.96Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 3.33Å; Q282-A285 PolarHBondContact O-N 3.4Å; Q282-S286 WeakPolarHBondContact O-CB 3.14Å; Q282-S286 PolarHBondContact O-N 3.39Å; Q282-S286 PolarHBondContact O-OG 3.09Å
283S91.8Very high91.2Very high68 Ų6839.6 Ų39.648%0.47620%0.203SC..Hα-helixtrans-59.4-49.2176.5174.60000110.4K279 I280 S286 V287K279-S283 WeakPolarHBondContact O-CB 3.27Å; K279-S283 PolarHBondContact O-N 3.02Å; I280-S283 PolarHBondContact O-N 3.3Å; S283-S286 PolarHBondContact O-N 3.08Å; S283-V287 WeakPolarHBondContact O-CG2 3.44Å; S283-V287 PolarHBondContact O-N 3Å
284D91.5Very high91Very high44 Ų4442.1 Ų42.124%0.23522%0.22CC..Hα-helixtrans-65.5-41.7179-72.7-16.5000112.3Y91 I280 L281 S286 V287 C288 L345Y91-D284 WeakPolarHBondContact CE2-OD2 3.35Å; Y91-D284 PolarHBondContact OH-OD2 3.39Å; I280-D284 PolarHBondContact O-N 2.85Å; I280-D284 VanDerWaalsContact O-N 3.09Å; L281-D284 PolarHBondContact O-N 2.95Å; D284-S286 VanDerWaalsContact C-N 3.34Å; D284-S286 PolarHBondContact O-N 2.81Å; D284-V287 PolarHBondContact O-N 3.46Å; D284-C288 PolarHBondContact O-N 3.2Å; D284-C288 PolarHBondContact O-SG 3.36Å; D284-L345 HydrophobicContact CB-CD1 3.83Å; D284-L345 HydrophobicContact CB-CD2 4.4Å
285A91Very high90.7Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-59.6-44.2175.100000111.6I226 L281 Q282 V287 C288 C289 L342 L345I226-A285 HydrophobicContact CD1-CB 3.98Å; L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 2.97Å; Q282-A285 PolarHBondContact O-N 3.4Å; A285-V287 VanDerWaalsContact C-N 3.33Å; A285-V287 PolarHBondContact O-N 3.04Å; A285-C288 WeakPolarHBondContact O-CB 3.19Å; A285-C288 PolarHBondContact O-N 3.35Å; A285-C288 VanDerWaalsContact O-N 3.13Å; A285-C289 PolarHBondContact O-N 3.23Å; A285-C289 PolarHBondContact O-SG 3.26Å; A285-L342 HydrophobicContact CB-CD1 3.47Å; A285-L342 VanDerWaalsContact CB-CD1 3.47Å; A285-L345 HydrophobicContact CB-CD1 4.28Å
286S89.8Confident90.3Very high32 Ų3245.7 Ų45.722%0.22424%0.235CC..Hα-helixtrans-61.5-41.5177.2-60.30000111.5Q282 S283 D284 C289 Q290Q282-S286 WeakPolarHBondContact O-CB 3.14Å; Q282-S286 PolarHBondContact O-N 3.39Å; Q282-S286 PolarHBondContact O-OG 3.09Å; S283-S286 PolarHBondContact O-N 3.08Å; D284-S286 VanDerWaalsContact C-N 3.34Å; D284-S286 PolarHBondContact O-N 2.81Å; S286-C289 PolarHBondContact O-N 2.96Å; S286-Q290 WeakPolarHBondContact O-CG 3.41Å; S286-Q290 PolarHBondContact O-N 3.19Å
287V90.7Very high90Very high48 Ų4847.2 Ų47.229%0.29125%0.25SC..Hα-helixtrans-63.7-40.5174.2172.70000111.4S283 D284 A285 Q290 R291S283-V287 WeakPolarHBondContact O-CG2 3.44Å; S283-V287 PolarHBondContact O-N 3Å; D284-V287 PolarHBondContact O-N 3.46Å; A285-V287 VanDerWaalsContact C-N 3.33Å; A285-V287 PolarHBondContact O-N 3.04Å; V287-Q290 PolarHBondContact O-N 3.36Å; V287-R291 HydrophobicContact CG1-CG 4.4Å; V287-R291 WeakPolarHBondContact O-CB 3.42Å; V287-R291 VanDerWaalsContact O-CG 3.31Å; V287-R291 WeakPolarHBondContact O-CG 3.24Å; V287-R291 PolarHBondContact O-N 3.32Å
288C88.9Confident89.8Confident6 Ų652.5 Ų52.54%0.04127%0.273CS..Hα-helixtrans-61.3-46.7175.7-62.20000111R94 D284 A285 R291 M292R94-C288 PolarHBondContact NH1-SG 2.95Å; D284-C288 PolarHBondContact O-N 3.2Å; D284-C288 PolarHBondContact O-SG 3.36Å; A285-C288 WeakPolarHBondContact O-CB 3.19Å; A285-C288 PolarHBondContact O-N 3.35Å; A285-C288 VanDerWaalsContact O-N 3.13Å; C288-R291 PolarHBondContact O-N 2.82Å; C288-M292 VanDerWaalsContact O-CB 3.3Å; C288-M292 WeakPolarHBondContact O-CB 3.12Å; C288-M292 PolarHBondContact O-N 3.08Å
289C85.7Confident89.5Confident28 Ų2852.7 Ų52.719%0.18927%0.274CS..Hα-helixtrans-59.6-47.4176.6-68.40000112.3A285 S286 R291 M292 E293A285-C289 PolarHBondContact O-N 3.23Å; A285-C289 PolarHBondContact O-SG 3.26Å; S286-C289 PolarHBondContact O-N 2.96Å; C289-R291 PolarHBondContact O-N 3.3Å; C289-M292 WeakPolarHBondContact O-CB 3.47Å; C289-M292 PolarHBondContact O-N 2.98Å; C289-E293 WeakPolarHBondContact O-CG 3.49Å; C289-E293 PolarHBondContact O-N 3.19Å
290Q88.9Confident89.2Confident128 Ų12850 Ų5060%0.59827%0.267SS*.Hα-helixtrans-61.4-41.8178-71.6172.64.600112.5S286 V287 S294S286-Q290 WeakPolarHBondContact O-CG 3.41Å; S286-Q290 PolarHBondContact O-N 3.19Å; V287-Q290 PolarHBondContact O-N 3.36Å; Q290-S294 PolarHBondContact O-N 3.27Å; Q290-S294 VanDerWaalsContact O-N 3.12Å
291R89.3Confident89Confident110 Ų11051.4 Ų51.442%0.41528%0.281SS..Hα-helixtrans-66.9-40.4177.6-75.3178.7178.4-161.81.2111.8V287 C288 C289 S294 R295 E338V287-R291 HydrophobicContact CG1-CG 4.4Å; V287-R291 WeakPolarHBondContact O-CB 3.42Å; V287-R291 VanDerWaalsContact O-CG 3.31Å; V287-R291 WeakPolarHBondContact O-CG 3.24Å; V287-R291 PolarHBondContact O-N 3.32Å; C288-R291 PolarHBondContact O-N 2.82Å; C289-R291 PolarHBondContact O-N 3.3Å; R291-S294 PolarHBondContact O-N 3.43Å; R291-R295 WeakPolarHBondContact O-CB 3.38Å; R291-R295 WeakPolarHBondContact O-CD 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.48Å; R291-R295 PolarHBondContact O-N 2.96Å; R291-E338 HydrophobicContact CB-CG 4.41Å; R291-E338 WeakPolarHBondContact CB-OE1 3.38Å; R291-E338 WeakPolarHBondContact CD-OE1 3.47Å
292M86.6Confident88.8Confident10 Ų1052.6 Ų52.65%0.04929%0.288CS..Hα-helixtrans-58.9-50.4175.8-178.5115.7175.700111.1L215 L219 C288 C289 S294 R295 Q296 L335 E338L215-M292 HydrophobicContact CB-CE 3.83Å; L219-M292 HydrophobicContact CD1-CE 3.19Å; L219-M292 HydrophobicContact CD1-CG 4.2Å; L219-M292 HydrophobicContact CD1-SD 3.21Å; L219-M292 WeakPolarHBondContact CD1-SD 3.3Å; C288-M292 VanDerWaalsContact O-CB 3.3Å; C288-M292 WeakPolarHBondContact O-CB 3.12Å; C288-M292 PolarHBondContact O-N 3.08Å; C289-M292 WeakPolarHBondContact O-CB 3.47Å; C289-M292 PolarHBondContact O-N 2.98Å; M292-S294 VanDerWaalsContact C-N 3.34Å; M292-S294 PolarHBondContact O-N 3.44Å; M292-R295 PolarHBondContact O-N 3.22Å; M292-R295 VanDerWaalsContact O-N 3.15Å; M292-Q296 WeakPolarHBondContact O-CB 3.35Å; M292-Q296 PolarHBondContact O-N 2.66Å; M292-L335 HydrophobicContact CB-CD2 4.5Å; M292-L335 HydrophobicContact CE-CD2 4.17Å; M292-L335 HydrophobicContact CG-CD2 3.87Å; M292-L335 HydrophobicContact SD-CD2 3.88Å; M292-E338 HydrophobicContact SD-CB 4.34Å
293E85.8Confident88.5Confident117 Ų11750.4 Ų50.455%0.54728%0.278SS..Hα-helixtrans-57.7-46.1177.6-71.7173.9-18000111.7C289 R295 Q296 A297C289-E293 WeakPolarHBondContact O-CG 3.49Å; C289-E293 PolarHBondContact O-N 3.19Å; E293-R295 PolarHBondContact O-N 2.95Å; E293-Q296 PolarHBondContact O-N 2.97Å; E293-A297 WeakPolarHBondContact O-CB 3.4Å; E293-A297 PolarHBondContact O-N 3.18Å
294S89.6Confident88.2Confident56 Ų5652.9 Ų52.939%0.39228%0.28SS..Hα-helixtrans-61-42.4176.1-173.40000112.5Q290 R291 M292 K298Q290-S294 PolarHBondContact O-N 3.27Å; Q290-S294 VanDerWaalsContact O-N 3.12Å; R291-S294 PolarHBondContact O-N 3.43Å; M292-S294 VanDerWaalsContact C-N 3.34Å; M292-S294 PolarHBondContact O-N 3.44Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.49Å; S294-K298 PolarHBondContact O-N 2.95Å; S294-K298 VanDerWaalsContact O-N 3.13Å
295R88.8Confident88Confident46 Ų4655.2 Ų55.217%0.17429%0.29CS..Hα-helixtrans-70-39.4-179.9-75.9168174.6-149.3-15.2112R291 M292 E293 K298 L299 E334 L335 E338R291-R295 WeakPolarHBondContact O-CB 3.38Å; R291-R295 WeakPolarHBondContact O-CD 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.48Å; R291-R295 PolarHBondContact O-N 2.96Å; M292-R295 PolarHBondContact O-N 3.22Å; M292-R295 VanDerWaalsContact O-N 3.15Å; E293-R295 PolarHBondContact O-N 2.95Å; R295-K298 PolarHBondContact O-N 3.41Å; R295-L299 WeakPolarHBondContact O-CB 3.4Å; R295-L299 PolarHBondContact O-N 3.45Å; R295-E334 VanDerWaalsContact CZ-CB 3.48Å; R295-E334 IonicContact CZ-OE2 3.58Å; R295-E334 IonicContact NE-OE2 3.89Å; R295-E334 PolarHBondContact NE-OE2 3.13Å; R295-E334 VanDerWaalsContact NH1-C 3.3Å; R295-E334 VanDerWaalsContact NH1-CA 3.31Å; R295-E334 VanDerWaalsContact NH1-CG 3.34Å; R295-E334 PolarHBondContact NH1-O 3.15Å; R295-E334 IonicContact NH1-OE2 3.99Å; R295-E334 VanDerWaalsContact NH2-CD 3.27Å; R295-E334 IonicContact NH2-OE1 2.7Å; R295-E334 IonicContact NH2-OE2 3.05Å; R295-E334 PolarHBondContact NH2-OE2 3.06Å; R295-L335 HydrophobicContact CB-CD2 3.66Å; R295-L335 HydrophobicContact CB-CG 4.09Å; R295-E338 IonicContact CZ-OE1 3.95Å; R295-E338 IonicContact NE-OE1 2.93Å; R295-E338 IonicContact NH1-OE1 3.99Å; R295-E338 PolarHBondContact NH1-OE1 2.86Å
296Q85.3Confident87.8Confident36 Ų3655.2 Ų55.217%0.16829%0.29CS..Hα-helixtrans-63.8-45.5175.8-174.4175.91.900111.1M292 E293 K298 L299 S300M292-Q296 WeakPolarHBondContact O-CB 3.35Å; M292-Q296 PolarHBondContact O-N 2.66Å; E293-Q296 PolarHBondContact O-N 2.97Å; Q296-K298 VanDerWaalsContact C-N 3.31Å; Q296-K298 PolarHBondContact O-N 3.4Å; Q296-L299 WeakPolarHBondContact O-CB 3.38Å; Q296-L299 PolarHBondContact O-N 3.28Å; Q296-L299 VanDerWaalsContact O-N 3.17Å; Q296-S300 PolarHBondContact O-N 3.42Å; Q296-S300 PolarHBondContact O-OG 3.16Å
297A86.8Confident87.5Confident64 Ų6456.9 Ų56.953%0.52929%0.291SS..Hα-helixtrans-58.8-42.8175.100000112.1E293 S300 S301E293-A297 WeakPolarHBondContact O-CB 3.4Å; E293-A297 PolarHBondContact O-N 3.18Å; A297-S300 PolarHBondContact O-N 3.39Å; A297-S301 PolarHBondContact O-N 3.42Å
298K89.8Confident87.1Confident116 Ų11661.1 Ų61.150%0.50431%0.307SS..Hα-helixtrans-63.1-44.4174.2-72.3170.4-175.1172.70112S294 R295 Q296 S300 S301 V302 L331S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.49Å; S294-K298 PolarHBondContact O-N 2.95Å; S294-K298 VanDerWaalsContact O-N 3.13Å; R295-K298 PolarHBondContact O-N 3.41Å; Q296-K298 VanDerWaalsContact C-N 3.31Å; Q296-K298 PolarHBondContact O-N 3.4Å; K298-S300 PolarHBondContact O-N 2.99Å; K298-S301 WeakPolarHBondContact O-CB 3.48Å; K298-S301 PolarHBondContact O-N 3.22Å; K298-S301 VanDerWaalsContact O-N 3.14Å; K298-V302 WeakPolarHBondContact O-CG2 3.45Å; K298-V302 PolarHBondContact O-N 3.19Å; K298-L331 HydrophobicContact CB-CD1 4.16Å; K298-L331 HydrophobicContact CB-CD2 4.2Å
299L88.2Confident86.8Confident4 Ų462.6 Ų62.62%0.02132%0.316CS..Hα-helixtrans-59.6-46.7178.2-178.462.2000111.1L209 R295 Q296 S301 V302 L303 V328 L331 L335L209-L299 HydrophobicContact CD1-CD2 4.22Å; R295-L299 WeakPolarHBondContact O-CB 3.4Å; R295-L299 PolarHBondContact O-N 3.45Å; Q296-L299 WeakPolarHBondContact O-CB 3.38Å; Q296-L299 PolarHBondContact O-N 3.28Å; Q296-L299 VanDerWaalsContact O-N 3.17Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.32Å; L299-V302 PolarHBondContact O-N 2.81Å; L299-L303 HydrophobicContact CD1-CD1 4.36Å; L299-L303 HydrophobicContact CD1-CG 4.41Å; L299-L303 HydrophobicContact CG-CD1 4.1Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.19Å; L299-L303 PolarHBondContact O-N 2.96Å; L299-V328 HydrophobicContact CD1-CB 4.27Å; L299-V328 HydrophobicContact CD1-CG1 3.82Å; L299-V328 HydrophobicContact CD1-CG2 4.32Å; L299-L331 HydrophobicContact CB-CB 4.43Å; L299-L331 HydrophobicContact CB-CD1 4.32Å; L299-L331 HydrophobicContact CD1-CB 4.08Å; L299-L331 HydrophobicContact CD1-CD1 4.39Å; L299-L335 HydrophobicContact CD2-CD1 3.8Å
300S86Confident86.4Confident38 Ų3863.7 Ų63.727%0.26632%0.322SS..Hα-helixtrans-60.7-37.8175.2-61.10000112.4Q296 A297 K298 K304Q296-S300 PolarHBondContact O-N 3.42Å; Q296-S300 PolarHBondContact O-OG 3.16Å; A297-S300 PolarHBondContact O-N 3.39Å; K298-S300 PolarHBondContact O-N 2.99Å; S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.47Å; S300-K304 PolarHBondContact O-N 3.39Å
301S88.7Confident85.3Confident75 Ų7563.8 Ų63.852%0.52432%0.323SS..Hα-helixtrans-65.3-46.1175.3-172.10000112.4A297 K298 L299 L303 K304 Q305A297-S301 PolarHBondContact O-N 3.42Å; K298-S301 WeakPolarHBondContact O-CB 3.48Å; K298-S301 PolarHBondContact O-N 3.22Å; K298-S301 VanDerWaalsContact O-N 3.14Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.32Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-K304 WeakPolarHBondContact O-CB 3.49Å; S301-K304 PolarHBondContact O-N 3.49Å; S301-Q305 PolarHBondContact O-N 3.2Å
302V89.1Confident83.9Confident24 Ų2461.7 Ų61.715%0.14532%0.323CS..Hα-helixtrans-65.9-39179.1177.50000110.9K298 L299 K304 Q305 L306 A327 V328 L331K298-V302 WeakPolarHBondContact O-CG2 3.45Å; K298-V302 PolarHBondContact O-N 3.19Å; L299-V302 PolarHBondContact O-N 2.81Å; V302-K304 VanDerWaalsContact C-N 3.33Å; V302-K304 PolarHBondContact O-N 3.47Å; V302-Q305 PolarHBondContact O-N 2.93Å; V302-L306 HydrophobicContact CG1-CD1 4.36Å; V302-L306 WeakPolarHBondContact O-CB 3.38Å; V302-L306 PolarHBondContact O-N 3.46Å; V302-A327 HydrophobicContact CG1-CB 4.4Å; V302-V328 HydrophobicContact CB-CG2 4.4Å; V302-V328 HydrophobicContact CG1-CG2 3.63Å; V302-L331 HydrophobicContact CG2-CD1 4.05Å
303L86.3Confident82.4Confident8 Ų869.5 Ų69.54%0.04237%0.365CS..Hα-helixtrans-63.7-37.5174.7-73171.9000112.3I197 F198 A201 L209 L299 S301 L306 R307 V328I197-L303 HydrophobicContact CG2-CD2 4.35Å; F198-L303 HydrophobicContact CB-CD2 4.3Å; F198-L303 HydrophobicContact CD2-CD2 4.2Å; A201-L303 HydrophobicContact CB-CD1 4.22Å; L209-L303 HydrophobicContact CD1-CD1 3.93Å; L299-L303 HydrophobicContact CD1-CD1 4.36Å; L299-L303 HydrophobicContact CD1-CG 4.41Å; L299-L303 HydrophobicContact CG-CD1 4.1Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.19Å; L299-L303 PolarHBondContact O-N 2.96Å; S301-L303 VanDerWaalsContact C-N 3.35Å; L303-L306 HydrophobicContact CD2-CD1 4.46Å; L303-L306 PolarHBondContact O-N 3.36Å; L303-R307 WeakPolarHBondContact O-CB 3.2Å; L303-R307 PolarHBondContact O-N 3.27Å; L303-V328 HydrophobicContact CD2-CG1 4.26Å; L303-V328 HydrophobicContact CD2-CG2 3.98Å; L303-V328 HydrophobicContact CG-CG2 4.42Å
304K85.6Confident80.9Confident120 Ų12068.9 Ų68.952%0.52237%0.37SS..Hα-helixtrans-63.6-44.7172.5-74.7172.8-177.5-178.70111.7S300 S301 V302 R307 Q308S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.47Å; S300-K304 PolarHBondContact O-N 3.39Å; S301-K304 WeakPolarHBondContact O-CB 3.49Å; S301-K304 PolarHBondContact O-N 3.49Å; V302-K304 VanDerWaalsContact C-N 3.33Å; V302-K304 PolarHBondContact O-N 3.47Å; K304-R307 PolarHBondContact O-N 2.98Å; K304-Q308 WeakPolarHBondContact O-CG 3.44Å; K304-Q308 PolarHBondContact O-N 2.91Å
305Q87.6Confident79.6Confident94 Ų9471 Ų7144%0.43939%0.391SS..Hα-helixtrans-61.8-44176-176.8-177-4.100111.8S301 V302 R307 Q308 T309S301-Q305 PolarHBondContact O-N 3.2Å; V302-Q305 PolarHBondContact O-N 2.93Å; Q305-R307 VanDerWaalsContact C-N 3.33Å; Q305-R307 PolarHBondContact O-N 3.06Å; Q305-Q308 PolarHBondContact O-N 2.85Å; Q305-T309 WeakPolarHBondContact O-CB 3.37Å; Q305-T309 PolarHBondContact O-N 3.46Å; Q305-T309 PolarHBondContact O-OG1 3.25Å
306L86Confident78.6Confident0 Ų071.5 Ų71.50%040%0.396CS..Hα-helixtrans-58.4-45.7173.7-89.5166.2000111.3F198 V302 L303 Q308 T309 V310 V321 L324 F325 V328F198-L306 HydrophobicContact CD2-CB 3.85Å; F198-L306 HydrophobicContact CD2-CD1 4.34Å; F198-L306 HydrophobicContact CE2-CB 3.81Å; V302-L306 HydrophobicContact CG1-CD1 4.36Å; V302-L306 WeakPolarHBondContact O-CB 3.38Å; V302-L306 PolarHBondContact O-N 3.46Å; L303-L306 HydrophobicContact CD2-CD1 4.46Å; L303-L306 PolarHBondContact O-N 3.36Å; L306-Q308 VanDerWaalsContact C-N 3.34Å; L306-Q308 PolarHBondContact O-N 3.01Å; L306-T309 PolarHBondContact O-N 2.9Å; L306-T309 VanDerWaalsContact O-N 3.14Å; L306-V310 WeakPolarHBondContact O-CB 3.32Å; L306-V310 VanDerWaalsContact O-CG2 3.25Å; L306-V310 WeakPolarHBondContact O-CG2 3.33Å; L306-V310 PolarHBondContact O-N 3.25Å; L306-V321 HydrophobicContact CD2-CG1 3.97Å; L306-L324 HydrophobicContact CD1-CB 4.24Å; L306-L324 HydrophobicContact CD2-CB 3.42Å; L306-L324 VanDerWaalsContact CD2-CB 3.42Å; L306-L324 HydrophobicContact CD2-CD1 3.89Å; L306-L324 HydrophobicContact CD2-CG 4.31Å; L306-L324 HydrophobicContact CG-CB 3.74Å; L306-L324 HydrophobicContact CG-CD1 4.22Å; L306-F325 HydrophobicContact CD1-CD1 3.93Å; L306-F325 HydrophobicContact CD1-CE1 4.13Å; L306-F325 HydrophobicContact CD2-CD1 4.03Å; L306-F325 HydrophobicContact CD2-CE1 3.85Å; L306-F325 HydrophobicContact CD2-CZ 4.27Å; L306-V328 HydrophobicContact CD1-CG2 3.42Å; L306-V328 VanDerWaalsContact CD1-CG2 3.42Å
307R83.4Confident78.1Confident66 Ų6673.4 Ų73.425%0.24941%0.412CS..Hα-helixtrans-60.4-43.8178.2-173.8177.9-80.5179.1-2.3111.4F198 A201 L303 K304 Q305 T309 V310 Q311F198-R307 HydrophobicContact CE2-CB 4.2Å; A201-R307 PolarHBondContact O-NH2 3.38Å; L303-R307 WeakPolarHBondContact O-CB 3.2Å; L303-R307 PolarHBondContact O-N 3.27Å; K304-R307 PolarHBondContact O-N 2.98Å; Q305-R307 VanDerWaalsContact C-N 3.33Å; Q305-R307 PolarHBondContact O-N 3.06Å; R307-T309 VanDerWaalsContact C-N 3.32Å; R307-T309 PolarHBondContact O-N 3Å; R307-V310 PolarHBondContact O-N 3.44Å; R307-Q311 HydrophobicContact CG-CG 4.23Å; R307-Q311 VanDerWaalsContact O-CB 3.23Å; R307-Q311 WeakPolarHBondContact O-CB 3.2Å; R307-Q311 WeakPolarHBondContact O-CG 3.11Å; R307-Q311 PolarHBondContact O-N 3.38Å
308Q83.6Confident77.4Confident137 Ų13771.7 Ų71.764%0.6440%0.4SS*.Hα-helixtrans-64.2-35.6175.5-70.8172.5-11.400112.9K304 Q305 L306 P312K304-Q308 WeakPolarHBondContact O-CG 3.44Å; K304-Q308 PolarHBondContact O-N 2.91Å; Q305-Q308 PolarHBondContact O-N 2.85Å; L306-Q308 VanDerWaalsContact C-N 3.34Å; L306-Q308 PolarHBondContact O-N 3.01Å; Q308-P312 WeakPolarHBondContact O-CD 3.45Å
309T81.8Confident76.9Confident37 Ų3770.8 Ų70.823%0.22741%0.408CS..Hα-helixtrans-74.8-33.4-179.7-51.70000111.9Q305 L306 R307 P312 I316Q305-T309 WeakPolarHBondContact O-CB 3.37Å; Q305-T309 PolarHBondContact O-N 3.46Å; Q305-T309 PolarHBondContact O-OG1 3.25Å; L306-T309 PolarHBondContact O-N 2.9Å; L306-T309 VanDerWaalsContact O-N 3.14Å; R307-T309 VanDerWaalsContact C-N 3.32Å; R307-T309 PolarHBondContact O-N 3Å; T309-P312 WeakPolarHBondContact O-CD 3.48Å; T309-P312 WeakPolarHBondContact O-CG 3.3Å; T309-I316 WeakPolarHBondContact O-CD1 3.48Å
310V76.7Confident76.5Confident52 Ų5274.1 Ų74.132%0.31543%0.429SS..Hα-helixtrans-89.6-23.6-177.5178.40000113.1F198 L306 R307 I316 V321F198-V310 HydrophobicContact CE1-CG1 4.25Å; F198-V310 HydrophobicContact CE1-CG2 4.48Å; F198-V310 HydrophobicContact CZ-CB 4.12Å; F198-V310 HydrophobicContact CZ-CG1 4.25Å; F198-V310 HydrophobicContact CZ-CG2 4.24Å; L306-V310 WeakPolarHBondContact O-CB 3.32Å; L306-V310 VanDerWaalsContact O-CG2 3.25Å; L306-V310 WeakPolarHBondContact O-CG2 3.33Å; L306-V310 PolarHBondContact O-N 3.25Å; R307-V310 PolarHBondContact O-N 3.44Å; V310-I316 HydrophobicContact CB-CD1 4.47Å; V310-I316 HydrophobicContact CG2-CD1 4.42Å; V310-V321 HydrophobicContact CG2-CG1 4.36Å
311Q66.1Low76.4Confident130 Ų13073 Ų7361%0.60742%0.42SS*.SBendtrans-61.8-32.5177.4-89176.5-2.500116.9R307 N313R307-Q311 HydrophobicContact CG-CG 4.23Å; R307-Q311 VanDerWaalsContact O-CB 3.23Å; R307-Q311 WeakPolarHBondContact O-CB 3.2Å; R307-Q311 WeakPolarHBondContact O-CG 3.11Å; R307-Q311 PolarHBondContact O-N 3.38Å; Q311-N313 PolarHBondContact O-N 2.97Å
312P60.8Low76.4Confident65 Ų6572.9 Ų72.942%0.42241%0.41SS..SBendtrans-67.5118.5168.325.7-32.3000108.6Q308 T309 T314Q308-P312 WeakPolarHBondContact O-CD 3.45Å; T309-P312 WeakPolarHBondContact O-CD 3.48Å; T309-P312 WeakPolarHBondContact O-CG 3.3Å; P312-T314 PolarHBondContact O-N 3.33Å
313N53.9Low76.5Confident174 Ų17475.2 Ų75.293%0.9343%0.426SS*.  trans-65.333.7-179.7-83.7-19.3000114.4Q311Q311-N313 PolarHBondContact O-N 2.97Å
314T55.7Low76.7Confident105 Ų10576.1 Ų76.164%0.64443%0.431SS*.SBendtrans-101.7148.7179.2-31.40000108.9P312 I316P312-T314 PolarHBondContact O-N 3.33Å; T314-I316 WeakPolarHBondContact O-CG1 3.4Å; T314-I316 PolarHBondContact O-N 3.42Å
315A61.4Low76.9Confident101 Ų10171.2 Ų71.284%0.83541%0.41SS*.  trans-61.8105172.900000109.6
316I68.1Low77.1Confident56 Ų5670 Ų7029%0.28740%0.403SS..  trans-85.8131.5-177.8-54.7143.4000108.9T309 V310 T314 G318 V321T309-I316 WeakPolarHBondContact O-CD1 3.48Å; V310-I316 HydrophobicContact CB-CD1 4.47Å; V310-I316 HydrophobicContact CG2-CD1 4.42Å; T314-I316 WeakPolarHBondContact O-CG1 3.4Å; T314-I316 PolarHBondContact O-N 3.42Å; I316-G318 PolarHBondContact O-N 3.45Å; I316-V321 HydrophobicContact CB-CG2 3.89Å; I316-V321 HydrophobicContact CG2-CG2 3.31Å
317P73.8Confident77.4Confident76 Ų7671.7 Ų71.749%0.49442%0.417SS..  trans-58.1133.4174.6-24.934.1000112.4S319 T320 V321P317-S319 WeakPolarHBondContact CB-OG 3.47Å; P317-S319 PolarHBondContact O-N 3.33Å; P317-S319 VanDerWaalsContact O-N 3.12Å; P317-T320 PolarHBondContact O-N 3.47Å; P317-V321 PolarHBondContact O-N 3.1Å
318G73Confident77.8Confident28 Ų2868.5 Ų68.529%0.28941%0.405SS..Hα-helixtrans-57.6-26.5175.900000113.5I316 T320 V321 F322I316-G318 PolarHBondContact O-N 3.45Å; G318-T320 PolarHBondContact O-N 3.32Å; G318-V321 PolarHBondContact O-N 2.7Å; G318-F322 VanDerWaalsContact O-CB 3.24Å; G318-F322 WeakPolarHBondContact O-CB 3.47Å; G318-F322 VanDerWaalsContact O-CD2 3.26Å; G318-F322 WeakPolarHBondContact O-CD2 3.27Å; G318-F322 WeakPolarHBondContact O-CG 3.33Å; G318-F322 PolarHBondContact O-N 2.94Å
319S78.5Confident78.2Confident97 Ų9762 Ų6268%0.67838%0.375SS*.Hα-helixtrans-59.5-26.1173.755.30000113.8P317 P323P317-S319 WeakPolarHBondContact CB-OG 3.47Å; P317-S319 PolarHBondContact O-N 3.33Å; P317-S319 VanDerWaalsContact O-N 3.12Å; S319-P323 VanDerWaalsContact O-CD 3.3Å; S319-P323 WeakPolarHBondContact O-CD 3.38Å; S319-P323 VanDerWaalsContact O-CG 3.29Å; S319-P323 WeakPolarHBondContact O-CG 3.24Å
320T80.1Confident78.7Confident73 Ų7366.1 Ų66.145%0.44839%0.389SS..Hα-helixtrans-93.6-37.7-179.4-49.50000111.6P317 G318P317-T320 PolarHBondContact O-N 3.47Å; G318-T320 PolarHBondContact O-N 3.32Å
321V84.8Confident79.4Confident14 Ų1464.5 Ų64.59%0.08538%0.379CS..Hα-helixtrans-89.6-37.6-173-164.50000112.7L306 V310 I316 P317 G318 L324 F325L306-V321 HydrophobicContact CD2-CG1 3.97Å; V310-V321 HydrophobicContact CG2-CG1 4.36Å; I316-V321 HydrophobicContact CB-CG2 3.89Å; I316-V321 HydrophobicContact CG2-CG2 3.31Å; P317-V321 PolarHBondContact O-N 3.1Å; G318-V321 PolarHBondContact O-N 2.7Å; V321-L324 WeakPolarHBondContact O-CB 3.24Å; V321-L324 PolarHBondContact O-N 3.35Å; V321-L324 VanDerWaalsContact O-N 3.09Å; V321-F325 HydrophobicContact CB-CE2 4.27Å; V321-F325 HydrophobicContact CG1-CD2 3.69Å; V321-F325 HydrophobicContact CG1-CE2 3.18Å; V321-F325 HydrophobicContact CG1-CZ 3.65Å; V321-F325 PolarHBondContact O-N 2.96Å
322F87.4Confident80.6Confident73 Ų7358.7 Ų58.732%0.3235%0.351SS..Hα-helixtrans-60.2-40.7-179-63.7-25.3000113.7V164 I191 G318 L324 F325 K326V164-F322 HydrophobicContact CG2-CE1 4.33Å; I191-F322 HydrophobicContact CD1-CB 4.45Å; I191-F322 HydrophobicContact CD1-CD2 4.45Å; I191-F322 HydrophobicContact CD1-CG 4.28Å; I191-F322 HydrophobicContact CG2-CD1 3.76Å; I191-F322 HydrophobicContact CG2-CE1 4.04Å; I191-F322 HydrophobicContact CG2-CG 4.42Å; G318-F322 VanDerWaalsContact O-CB 3.24Å; G318-F322 WeakPolarHBondContact O-CB 3.47Å; G318-F322 VanDerWaalsContact O-CD2 3.26Å; G318-F322 WeakPolarHBondContact O-CD2 3.27Å; G318-F322 WeakPolarHBondContact O-CG 3.33Å; G318-F322 PolarHBondContact O-N 2.94Å; F322-L324 VanDerWaalsContact C-N 3.26Å; F322-L324 PolarHBondContact O-N 3.34Å; F322-F325 HydrophobicContact CD1-CD2 4.37Å; F322-F325 PolarHBondContact O-N 3.18Å; F322-K326 VanDerWaalsContact O-CG 3.28Å; F322-K326 WeakPolarHBondContact O-CG 3.29Å; F322-K326 PolarHBondContact O-N 3.48Å
323P91.9Very high82Confident73 Ų7357.5 Ų57.547%0.47434%0.34SS..Hα-helixtrans-58.5-38.1174.1-25.335.6000113S319 K326 A327S319-P323 VanDerWaalsContact O-CD 3.3Å; S319-P323 WeakPolarHBondContact O-CD 3.38Å; S319-P323 VanDerWaalsContact O-CG 3.29Å; S319-P323 WeakPolarHBondContact O-CG 3.24Å; P323-K326 PolarHBondContact O-N 3.39Å; P323-A327 WeakPolarHBondContact O-CB 3.07Å; P323-A327 PolarHBondContact O-N 3.3Å
324L89.4Confident83.7Confident27 Ų2751.2 Ų51.214%0.14131%0.305CS..Hα-helixtrans-69.5-42.1178.2-66.3176.7000111.9L306 V321 F322 K326 A327 V328L306-L324 HydrophobicContact CD1-CB 4.24Å; L306-L324 HydrophobicContact CD2-CB 3.42Å; L306-L324 VanDerWaalsContact CD2-CB 3.42Å; L306-L324 HydrophobicContact CD2-CD1 3.89Å; L306-L324 HydrophobicContact CD2-CG 4.31Å; L306-L324 HydrophobicContact CG-CB 3.74Å; L306-L324 HydrophobicContact CG-CD1 4.22Å; V321-L324 WeakPolarHBondContact O-CB 3.24Å; V321-L324 PolarHBondContact O-N 3.35Å; V321-L324 VanDerWaalsContact O-N 3.09Å; F322-L324 VanDerWaalsContact C-N 3.26Å; F322-L324 PolarHBondContact O-N 3.34Å; L324-K326 VanDerWaalsContact C-N 3.35Å; L324-K326 PolarHBondContact O-N 3.42Å; L324-A327 WeakPolarHBondContact O-CB 3.4Å; L324-A327 PolarHBondContact O-N 2.88Å; L324-V328 PolarHBondContact O-N 3.2Å
325F90.3Very high85.3Confident18 Ų1846.3 Ų46.38%0.07928%0.275CS..Hα-helixtrans-63-40.8172.8-71.3-46.9000112.3I195 F198 L306 V321 F322 A327 V328 T329I195-F325 HydrophobicContact CD1-CD2 4.34Å; I195-F325 HydrophobicContact CD1-CE2 4.3Å; I195-F325 HydrophobicContact CG1-CD1 4.14Å; I195-F325 HydrophobicContact CG1-CD2 3.56Å; I195-F325 HydrophobicContact CG1-CE1 4.13Å; I195-F325 HydrophobicContact CG1-CE2 3.51Å; I195-F325 HydrophobicContact CG1-CG 3.9Å; I195-F325 HydrophobicContact CG1-CZ 3.83Å; F198-F325 HydrophobicContact CB-CD1 4.3Å; F198-F325 HydrophobicContact CB-CE1 3.69Å; F198-F325 HydrophobicContact CD1-CE1 4Å; F198-F325 HydrophobicContact CD1-CZ 4.33Å; F198-F325 AromaticContact CG-CE1 3.83Å; F198-F325 HydrophobicContact CG-CE1 3.83Å; L306-F325 HydrophobicContact CD1-CD1 3.93Å; L306-F325 HydrophobicContact CD1-CE1 4.13Å; L306-F325 HydrophobicContact CD2-CD1 4.03Å; L306-F325 HydrophobicContact CD2-CE1 3.85Å; L306-F325 HydrophobicContact CD2-CZ 4.27Å; V321-F325 HydrophobicContact CB-CE2 4.27Å; V321-F325 HydrophobicContact CG1-CD2 3.69Å; V321-F325 HydrophobicContact CG1-CE2 3.18Å; V321-F325 HydrophobicContact CG1-CZ 3.65Å; V321-F325 PolarHBondContact O-N 2.96Å; F322-F325 HydrophobicContact CD1-CD2 4.37Å; F322-F325 PolarHBondContact O-N 3.18Å; F325-A327 VanDerWaalsContact C-N 3.28Å; F325-A327 PolarHBondContact O-N 2.86Å; F325-V328 WeakPolarHBondContact O-CB 3.22Å; F325-V328 PolarHBondContact O-N 3.4Å; F325-T329 PolarHBondContact O-N 2.98Å; F325-T329 PolarHBondContact O-OG1 3.36Å
326K92.4Very high86.4Confident67 Ų6743.7 Ų43.729%0.29125%0.245SC..Hα-helixtrans-61.6-37.8173.7-68.2-176.9-172.5-171.10111.5E187 M190 I191 F322 P323 L324 T329 K330E187-K326 VanDerWaalsContact OE2-CE 3.32Å; E187-K326 WeakPolarHBondContact OE2-CE 3.3Å; E187-K326 IonicContact OE2-NZ 2.62Å; E187-K326 PolarHBondContact OE2-NZ 3.32Å; M190-K326 HydrophobicContact CB-CG 4.02Å; M190-K326 HydrophobicContact CE-CB 4.34Å; M190-K326 VanDerWaalsContact CE-O 3.3Å; M190-K326 WeakPolarHBondContact CE-O 3.46Å; I191-K326 HydrophobicContact CG1-CD 4.48Å; I191-K326 HydrophobicContact CG1-CG 4.03Å; F322-K326 VanDerWaalsContact O-CG 3.28Å; F322-K326 WeakPolarHBondContact O-CG 3.29Å; F322-K326 PolarHBondContact O-N 3.48Å; P323-K326 PolarHBondContact O-N 3.39Å; L324-K326 VanDerWaalsContact C-N 3.35Å; L324-K326 PolarHBondContact O-N 3.42Å; K326-T329 PolarHBondContact O-N 3.41Å; K326-K330 WeakPolarHBondContact O-CB 3.3Å; K326-K330 PolarHBondContact O-N 3.08Å
327A92.7Very high87.5Confident36 Ų3642.3 Ų42.330%0.29824%0.238SC..Hα-helixtrans-64.6-41.7175.900000112.2V302 P323 L324 F325 K330 L331V302-A327 HydrophobicContact CG1-CB 4.4Å; P323-A327 WeakPolarHBondContact O-CB 3.07Å; P323-A327 PolarHBondContact O-N 3.3Å; L324-A327 WeakPolarHBondContact O-CB 3.4Å; L324-A327 PolarHBondContact O-N 2.88Å; F325-A327 VanDerWaalsContact C-N 3.28Å; F325-A327 PolarHBondContact O-N 2.86Å; A327-K330 PolarHBondContact O-N 3.34Å; A327-L331 WeakPolarHBondContact O-CG 3.29Å; A327-L331 PolarHBondContact O-N 2.98Å
328V91.3Very high88.2Confident0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-58.3-49.6172.3168.60000110.9I197 L299 V302 L303 L306 L324 F325 K330 L331 W332I197-V328 HydrophobicContact CB-CG1 3.84Å; I197-V328 HydrophobicContact CD1-CG1 3.86Å; I197-V328 HydrophobicContact CG1-CG1 4.48Å; I197-V328 HydrophobicContact CG2-CG1 3.64Å; L299-V328 HydrophobicContact CD1-CB 4.27Å; L299-V328 HydrophobicContact CD1-CG1 3.82Å; L299-V328 HydrophobicContact CD1-CG2 4.32Å; V302-V328 HydrophobicContact CB-CG2 4.4Å; V302-V328 HydrophobicContact CG1-CG2 3.63Å; L303-V328 HydrophobicContact CD2-CG1 4.26Å; L303-V328 HydrophobicContact CD2-CG2 3.98Å; L303-V328 HydrophobicContact CG-CG2 4.42Å; L306-V328 HydrophobicContact CD1-CG2 3.42Å; L306-V328 VanDerWaalsContact CD1-CG2 3.42Å; L324-V328 PolarHBondContact O-N 3.2Å; F325-V328 WeakPolarHBondContact O-CB 3.22Å; F325-V328 PolarHBondContact O-N 3.4Å; V328-K330 VanDerWaalsContact C-N 3.33Å; V328-K330 PolarHBondContact O-N 3.01Å; V328-L331 PolarHBondContact O-N 3.33Å; V328-W332 WeakPolarHBondContact O-CB 3.25Å; V328-W332 PolarHBondContact O-N 3.31Å
329T91.4Very high88.8Confident0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-64-38.6179.9-56.40000112.5M190 T193 G194 F325 K326 W332 F333M190-T329 HydrophobicContact CE-CG2 4.17Å; M190-T329 VanDerWaalsContact O-CB 3.28Å; M190-T329 WeakPolarHBondContact O-CB 3.43Å; M190-T329 PolarHBondContact O-OG1 3.32Å; M190-T329 HydrophobicContact SD-CG2 3.72Å; T193-T329 HydrophobicContact CG2-CG2 3.68Å; G194-T329 WeakPolarHBondContact CA-OG1 3.43Å; G194-T329 PolarHBondContact N-OG1 3.46Å; F325-T329 PolarHBondContact O-N 2.98Å; F325-T329 PolarHBondContact O-OG1 3.36Å; K326-T329 PolarHBondContact O-N 3.41Å; T329-W332 WeakPolarHBondContact O-CB 3.45Å; T329-W332 PolarHBondContact O-N 2.73Å; T329-F333 HydrophobicContact CG2-CD1 4.37Å; T329-F333 HydrophobicContact CG2-CD2 4.1Å; T329-F333 HydrophobicContact CG2-CE1 3.83Å; T329-F333 HydrophobicContact CG2-CE2 3.55Å; T329-F333 HydrophobicContact CG2-CG 4.48Å; T329-F333 HydrophobicContact CG2-CZ 3.39Å; T329-F333 WeakPolarHBondContact O-CG 3.47Å; T329-F333 PolarHBondContact O-N 2.84Å
330K93.5Very high89.3Confident123 Ų12337.7 Ų37.754%0.53519%0.194SC..Hα-helixtrans-59.6-49.4175-178.5179.5173.1-178.70111.1M190 K326 A327 V328 W332 F333 E334M190-K330 HydrophobicContact CE-CB 4.14Å; K326-K330 WeakPolarHBondContact O-CB 3.3Å; K326-K330 PolarHBondContact O-N 3.08Å; A327-K330 PolarHBondContact O-N 3.34Å; V328-K330 VanDerWaalsContact C-N 3.33Å; V328-K330 PolarHBondContact O-N 3.01Å; K330-W332 VanDerWaalsContact C-N 3.25Å; K330-W332 PolarHBondContact O-N 2.98Å; K330-F333 PolarHBondContact O-N 3.09Å; K330-E334 WeakPolarHBondContact CE-OE1 3.37Å; K330-E334 VanDerWaalsContact O-CB 3.24Å; K330-E334 WeakPolarHBondContact O-CB 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.45Å; K330-E334 PolarHBondContact O-N 3Å
331L91.8Very high89.8Confident19 Ų1934.4 Ų34.410%0.09917%0.174CC..Hα-helixtrans-62.4-34.9177.2-72.5169.3000111.9K298 L299 V302 A327 V328 E334 L335K298-L331 HydrophobicContact CB-CD1 4.16Å; K298-L331 HydrophobicContact CB-CD2 4.2Å; L299-L331 HydrophobicContact CB-CB 4.43Å; L299-L331 HydrophobicContact CB-CD1 4.32Å; L299-L331 HydrophobicContact CD1-CB 4.08Å; L299-L331 HydrophobicContact CD1-CD1 4.39Å; V302-L331 HydrophobicContact CG2-CD1 4.05Å; A327-L331 WeakPolarHBondContact O-CG 3.29Å; A327-L331 PolarHBondContact O-N 2.98Å; V328-L331 PolarHBondContact O-N 3.33Å; L331-E334 WeakPolarHBondContact O-CB 3.33Å; L331-E334 PolarHBondContact O-N 3.29Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.4Å; L331-L335 PolarHBondContact O-N 3.27Å
332W89.5Confident90Very high7 Ų733.9 Ų33.93%0.02717%0.171CC..Hα-helixtrans-64.7-50.5175.4174.9-104.6000112.9S142 I144 I197 V211 P212 V328 T329 K330 E334 L335 Q336S142-W332 PolarHBondContact O-NE1 3.12Å; I144-W332 HydrophobicContact CD1-CD2 4.4Å; I144-W332 HydrophobicContact CD1-CZ2 4.15Å; I144-W332 HydrophobicContact CG1-CZ2 3.74Å; I197-W332 HydrophobicContact CD1-CB 3.61Å; I197-W332 HydrophobicContact CD1-CD2 3.94Å; I197-W332 HydrophobicContact CD1-CE3 4.43Å; I197-W332 HydrophobicContact CD1-CG 3.55Å; V211-W332 HydrophobicContact CB-CH2 3.91Å; V211-W332 HydrophobicContact CB-CZ3 4.42Å; V211-W332 HydrophobicContact CG1-CH2 3.59Å; V211-W332 HydrophobicContact CG1-CZ2 4.48Å; V211-W332 HydrophobicContact CG1-CZ3 4.43Å; P212-W332 HydrophobicContact CG-CZ3 4.47Å; V328-W332 WeakPolarHBondContact O-CB 3.25Å; V328-W332 PolarHBondContact O-N 3.31Å; T329-W332 WeakPolarHBondContact O-CB 3.45Å; T329-W332 PolarHBondContact O-N 2.73Å; K330-W332 VanDerWaalsContact C-N 3.25Å; K330-W332 PolarHBondContact O-N 2.98Å; W332-E334 VanDerWaalsContact C-N 3.26Å; W332-E334 PolarHBondContact O-N 2.92Å; W332-L335 WeakPolarHBondContact O-CB 3.06Å; W332-L335 PolarHBondContact O-N 2.93Å; W332-Q336 VanDerWaalsContact CE2-NE2 3.33Å; W332-Q336 HydrophobicContact CZ2-CG 4.42Å; W332-Q336 WeakPolarHBondContact O-CG 3.25Å; W332-Q336 PolarHBondContact O-N 3.45Å
333F90.2Very high90Very high41 Ų4134.6 Ų34.618%0.1818%0.175CC..Hα-helixtrans-61.4-39.5175-64.9-18000111.5T189 M190 T193 T329 K330 L335 Q336 D337T189-F333 HydrophobicContact CG2-CZ 4.1Å; M190-F333 HydrophobicContact SD-CD2 4.14Å; M190-F333 HydrophobicContact SD-CE2 3.6Å; M190-F333 VanDerWaalsContact SD-CE2 3.6Å; T193-F333 HydrophobicContact CG2-CE1 4.44Å; T329-F333 HydrophobicContact CG2-CD1 4.37Å; T329-F333 HydrophobicContact CG2-CD2 4.1Å; T329-F333 HydrophobicContact CG2-CE1 3.83Å; T329-F333 HydrophobicContact CG2-CE2 3.55Å; T329-F333 HydrophobicContact CG2-CG 4.48Å; T329-F333 HydrophobicContact CG2-CZ 3.39Å; T329-F333 WeakPolarHBondContact O-CG 3.47Å; T329-F333 PolarHBondContact O-N 2.84Å; K330-F333 PolarHBondContact O-N 3.09Å; F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 2.68Å; F333-Q336 WeakPolarHBondContact O-CB 3.35Å; F333-Q336 PolarHBondContact O-N 3.42Å; F333-Q336 VanDerWaalsContact O-N 3.17Å; F333-D337 WeakPolarHBondContact O-CB 3.34Å; F333-D337 PolarHBondContact O-N 3.27Å
334E90.9Very high90Very high41 Ų4132.9 Ų32.919%0.19216%0.161CC..Hα-helixtrans-58.8-35173.3-88.8-173.4-15700113R295 K330 L331 W332 E338R295-E334 VanDerWaalsContact CZ-CB 3.48Å; R295-E334 IonicContact CZ-OE2 3.58Å; R295-E334 IonicContact NE-OE2 3.89Å; R295-E334 PolarHBondContact NE-OE2 3.13Å; R295-E334 VanDerWaalsContact NH1-C 3.3Å; R295-E334 VanDerWaalsContact NH1-CA 3.31Å; R295-E334 VanDerWaalsContact NH1-CG 3.34Å; R295-E334 PolarHBondContact NH1-O 3.15Å; R295-E334 IonicContact NH1-OE2 3.99Å; R295-E334 VanDerWaalsContact NH2-CD 3.27Å; R295-E334 IonicContact NH2-OE1 2.7Å; R295-E334 IonicContact NH2-OE2 3.05Å; R295-E334 PolarHBondContact NH2-OE2 3.06Å; K330-E334 WeakPolarHBondContact CE-OE1 3.37Å; K330-E334 VanDerWaalsContact O-CB 3.24Å; K330-E334 WeakPolarHBondContact O-CB 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.45Å; K330-E334 PolarHBondContact O-N 3Å; L331-E334 WeakPolarHBondContact O-CB 3.33Å; L331-E334 PolarHBondContact O-N 3.29Å; W332-E334 VanDerWaalsContact C-N 3.26Å; W332-E334 PolarHBondContact O-N 2.92Å; E334-E338 WeakPolarHBondContact O-CG 3.36Å; E334-E338 PolarHBondContact O-N 3.43Å
335L88.1Confident90.1Very high3 Ų331.8 Ų31.82%0.01616%0.156CC..Hα-helixtrans-73.6-38.6174.3-73.5164.9000112.1M292 R295 L299 L331 W332 F333 D337 E338 A339M292-L335 HydrophobicContact CB-CD2 4.5Å; M292-L335 HydrophobicContact CE-CD2 4.17Å; M292-L335 HydrophobicContact CG-CD2 3.87Å; M292-L335 HydrophobicContact SD-CD2 3.88Å; R295-L335 HydrophobicContact CB-CD2 3.66Å; R295-L335 HydrophobicContact CB-CG 4.09Å; L299-L335 HydrophobicContact CD2-CD1 3.8Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.4Å; L331-L335 PolarHBondContact O-N 3.27Å; W332-L335 WeakPolarHBondContact O-CB 3.06Å; W332-L335 PolarHBondContact O-N 2.93Å; F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 2.68Å; L335-D337 VanDerWaalsContact C-N 3.34Å; L335-E338 PolarHBondContact O-N 3.15Å; L335-A339 PolarHBondContact O-N 3.44Å
336Q85.9Confident90.1Very high46 Ų4631.9 Ų31.922%0.21516%0.158CC..Hα-helixtrans-62.9-42175.3-68.6179.4-3300111.7S142 W332 F333 E338 A339 E340S142-Q336 PolarHBondContact O-NE2 3.41Å; W332-Q336 VanDerWaalsContact CE2-NE2 3.33Å; W332-Q336 HydrophobicContact CZ2-CG 4.42Å; W332-Q336 WeakPolarHBondContact O-CG 3.25Å; W332-Q336 PolarHBondContact O-N 3.45Å; F333-Q336 WeakPolarHBondContact O-CB 3.35Å; F333-Q336 PolarHBondContact O-N 3.42Å; F333-Q336 VanDerWaalsContact O-N 3.17Å; Q336-E338 VanDerWaalsContact C-N 3.35Å; Q336-E338 PolarHBondContact O-N 3.16Å; Q336-A339 PolarHBondContact O-N 3.22Å; Q336-A339 VanDerWaalsContact O-N 3.16Å; Q336-E340 PolarHBondContact O-N 3.31Å
337D90.1Very high90.1Very high27 Ų2732.3 Ų32.314%0.14416%0.164CC..Hα-helixtrans-56.5-46.5174.3-78.5-8.1000111.4L98 H102 F333 L335 A339 L341L98-D337 HydrophobicContact CD2-CB 3.65Å; H102-D337 IonicContact CD2-OD1 3.2Å; H102-D337 IonicContact CE1-OD1 3.89Å; H102-D337 IonicContact CE1-OD2 2.83Å; H102-D337 IonicContact NE2-OD1 3.62Å; H102-D337 PolarHBondContact NE2-OD1 3Å; H102-D337 IonicContact NE2-OD2 2.86Å; H102-D337 PolarHBondContact NE2-OD2 3.49Å; F333-D337 WeakPolarHBondContact O-CB 3.34Å; F333-D337 PolarHBondContact O-N 3.27Å; L335-D337 VanDerWaalsContact C-N 3.34Å; D337-A339 VanDerWaalsContact C-N 3.33Å; D337-A339 PolarHBondContact O-N 3.5Å; D337-L341 WeakPolarHBondContact O-CB 3.48Å; D337-L341 WeakPolarHBondContact O-CG 3.43Å; D337-L341 PolarHBondContact O-N 3.2Å
338E89.1Confident90.2Very high1 Ų130.9 Ų30.91%0.00515%0.151CC..Hα-helixtrans-63.5-38.9176.4-60.9-58.1164.900112.2R94 R291 M292 R295 E334 L335 Q336 L342R94-E338 IonicContact CZ-OE1 2.83Å; R94-E338 IonicContact CZ-OE2 2.75Å; R94-E338 IonicContact NH1-OE1 3.02Å; R94-E338 IonicContact NH1-OE2 3.13Å; R94-E338 PolarHBondContact NH1-OE2 2.83Å; R94-E338 IonicContact NH2-OE1 2.84Å; R94-E338 PolarHBondContact NH2-OE1 3.42Å; R94-E338 IonicContact NH2-OE2 3.17Å; R94-E338 PolarHBondContact NH2-OE2 3.39Å; R291-E338 HydrophobicContact CB-CG 4.41Å; R291-E338 WeakPolarHBondContact CB-OE1 3.38Å; R291-E338 WeakPolarHBondContact CD-OE1 3.47Å; M292-E338 HydrophobicContact SD-CB 4.34Å; R295-E338 IonicContact CZ-OE1 3.95Å; R295-E338 IonicContact NE-OE1 2.93Å; R295-E338 IonicContact NH1-OE1 3.99Å; R295-E338 PolarHBondContact NH1-OE1 2.86Å; E334-E338 WeakPolarHBondContact O-CG 3.36Å; E334-E338 PolarHBondContact O-N 3.43Å; L335-E338 PolarHBondContact O-N 3.15Å; Q336-E338 VanDerWaalsContact C-N 3.35Å; Q336-E338 PolarHBondContact O-N 3.16Å; E338-L342 PolarHBondContact O-N 3.35Å
339A86.4Confident90.3Very high15 Ų1531 Ų3112%0.12415%0.152CC..Hα-helixtrans-68.3-43.7-178.500000112.3L215 L219 L335 Q336 D337 L342 H343L215-A339 HydrophobicContact CD2-CB 3.99Å; L219-A339 HydrophobicContact CD2-CB 4.08Å; L335-A339 PolarHBondContact O-N 3.44Å; Q336-A339 PolarHBondContact O-N 3.22Å; Q336-A339 VanDerWaalsContact O-N 3.16Å; D337-A339 VanDerWaalsContact C-N 3.33Å; D337-A339 PolarHBondContact O-N 3.5Å; A339-L342 PolarHBondContact O-N 3.2Å; A339-H343 PolarHBondContact O-N 2.99Å
340E88.1Confident90.3Very high87 Ų8735 Ų3541%0.40718%0.176SC..Hα-helixtrans-66.4-39.3176.8-169.464.1-157.400111.3I101 Q336 L342 H343 I344I101-E340 HydrophobicContact CD1-CB 3.97Å; I101-E340 HydrophobicContact CD1-CG 3.75Å; I101-E340 HydrophobicContact CG1-CG 3.8Å; I101-E340 HydrophobicContact CG2-CG 4.15Å; Q336-E340 PolarHBondContact O-N 3.31Å; E340-L342 PolarHBondContact O-N 2.78Å; E340-H343 WeakPolarHBondContact O-CB 3.42Å; E340-H343 PolarHBondContact O-N 3.47Å; E340-I344 WeakPolarHBondContact O-CG1 3.41Å; E340-I344 PolarHBondContact O-N 3.48Å
341L90.4Very high90.3Very high5 Ų530 Ų303%0.02616%0.16CC..Hα-helixtrans-57.7-47.6172.4-76175.3000111.6R94 F97 L98 I101 D337 H343 I344 L345R94-L341 HydrophobicContact CG-CD1 4Å; F97-L341 HydrophobicContact CB-CD2 3.29Å; F97-L341 HydrophobicContact CD2-CD2 4.15Å; F97-L341 HydrophobicContact CG-CD2 4.06Å; L98-L341 HydrophobicContact CD1-CD1 4.46Å; L98-L341 HydrophobicContact CD2-CD1 3.65Å; L98-L341 HydrophobicContact CD2-CD2 4.26Å; L98-L341 HydrophobicContact CD2-CG 3.94Å; L98-L341 HydrophobicContact CG-CD1 4Å; L98-L341 HydrophobicContact CG-CD2 4.35Å; L98-L341 HydrophobicContact CG-CG 4.46Å; I101-L341 HydrophobicContact CD1-CD2 3.94Å; I101-L341 HydrophobicContact CD1-CG 4.1Å; D337-L341 WeakPolarHBondContact O-CB 3.48Å; D337-L341 WeakPolarHBondContact O-CG 3.43Å; D337-L341 PolarHBondContact O-N 3.2Å; L341-H343 VanDerWaalsContact C-N 3.28Å; L341-H343 PolarHBondContact O-N 3.28Å; L341-I344 PolarHBondContact O-N 2.88Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3Å
342L89Confident90.4Very high2 Ų229.1 Ų29.11%0.0116%0.155CC..Hα-helixtrans-64.9-35.8179.2-167.764.3000111.8L219 A285 E338 A339 E340 L345 S346L219-L342 HydrophobicContact CB-CD2 3.69Å; L219-L342 HydrophobicContact CD2-CB 3.82Å; L219-L342 HydrophobicContact CD2-CD2 3.34Å; L219-L342 HydrophobicContact CD2-CG 4.12Å; L219-L342 HydrophobicContact CG-CD2 4.07Å; L219-L342 WeakPolarHBondContact O-CD2 3.4Å; A285-L342 HydrophobicContact CB-CD1 3.47Å; A285-L342 VanDerWaalsContact CB-CD1 3.47Å; E338-L342 PolarHBondContact O-N 3.35Å; A339-L342 PolarHBondContact O-N 3.2Å; E340-L342 PolarHBondContact O-N 2.78Å; L342-L345 HydrophobicContact CD1-CD1 4.39Å; L342-L345 PolarHBondContact O-N 2.78Å; L342-S346 WeakPolarHBondContact O-CB 3.25Å; L342-S346 PolarHBondContact O-N 3.34Å
343H88Confident90.4Very high89 Ų8932.5 Ų32.541%0.41217%0.17SC..Hα-helixtrans-60.3-46.4173.1-178.858.6000111.8A339 E340 L341 L345 S346 N347A339-H343 PolarHBondContact O-N 2.99Å; E340-H343 WeakPolarHBondContact O-CB 3.42Å; E340-H343 PolarHBondContact O-N 3.47Å; L341-H343 VanDerWaalsContact C-N 3.28Å; L341-H343 PolarHBondContact O-N 3.28Å; H343-L345 PolarHBondContact O-N 3.32Å; H343-S346 WeakPolarHBondContact O-CB 3.49Å; H343-S346 PolarHBondContact O-N 3.5Å; H343-N347 PolarHBondContact CD2-ND2 3.35Å; H343-N347 PolarHBondContact CE1-ND2 3.14Å; H343-N347 VanDerWaalsContact CE1-ND2 3.33Å; H343-N347 PolarHBondContact CE1-OD1 2.89Å; H343-N347 PolarHBondContact NE2-ND2 3.33Å; H343-N347 VanDerWaalsContact O-CG 3.25Å; H343-N347 PolarHBondContact O-N 3.18Å; H343-N347 PolarHBondContact O-ND2 2.91Å
344I91.3Very high90.5Very high36 Ų3634.2 Ų34.219%0.18519%0.185CC..Hα-helixtrans-58.1-48.1175.1-67166.4000110.8F97 I101 E340 L341 S346 N347 I348F97-I344 HydrophobicContact CD1-CD1 4.34Å; F97-I344 HydrophobicContact CD1-CG2 4.09Å; F97-I344 HydrophobicContact CE1-CG2 3.64Å; F97-I344 HydrophobicContact CZ-CG2 3.88Å; I101-I344 HydrophobicContact CD1-CD1 3.94Å; I101-I344 HydrophobicContact CG1-CD1 4.03Å; E340-I344 WeakPolarHBondContact O-CG1 3.41Å; E340-I344 PolarHBondContact O-N 3.48Å; L341-I344 PolarHBondContact O-N 2.88Å; I344-S346 VanDerWaalsContact C-N 3.31Å; I344-S346 PolarHBondContact O-N 3.43Å; I344-N347 PolarHBondContact O-N 2.97Å; I344-N347 VanDerWaalsContact O-N 3.16Å; I344-I348 HydrophobicContact CG2-CD1 3.99Å; I344-I348 WeakPolarHBondContact O-CG1 3.13Å; I344-I348 PolarHBondContact O-N 3.47Å
345L92Very high90.5Very high5 Ų533.8 Ų33.83%0.02618%0.183CC..Hα-helixtrans-61-39.9178.6-63.5174.7000112.2Y91 F97 L281 D284 A285 L341 L342 H343 I348 T349Y91-L345 HydrophobicContact CD2-CD2 4.5Å; Y91-L345 HydrophobicContact CE2-CD2 4.22Å; F97-L345 HydrophobicContact CE2-CD2 4.46Å; L281-L345 HydrophobicContact CD2-CD2 3.56Å; D284-L345 HydrophobicContact CB-CD1 3.83Å; D284-L345 HydrophobicContact CB-CD2 4.4Å; A285-L345 HydrophobicContact CB-CD1 4.28Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3Å; L342-L345 HydrophobicContact CD1-CD1 4.39Å; L342-L345 PolarHBondContact O-N 2.78Å; H343-L345 PolarHBondContact O-N 3.32Å; L345-I348 PolarHBondContact O-N 3.43Å; L345-T349 PolarHBondContact O-N 3.4Å; L345-T349 PolarHBondContact O-OG1 3.45Å
346S90.9Very high90.6Very high19 Ų1934.6 Ų34.613%0.13319%0.187CC..Hα-helixtrans-64.6-41.1175.3-170.90000111.6L342 H343 I344 T349 V350L342-S346 WeakPolarHBondContact O-CB 3.25Å; L342-S346 PolarHBondContact O-N 3.34Å; H343-S346 WeakPolarHBondContact O-CB 3.49Å; H343-S346 PolarHBondContact O-N 3.5Å; I344-S346 VanDerWaalsContact C-N 3.31Å; I344-S346 PolarHBondContact O-N 3.43Å; S346-T349 WeakPolarHBondContact O-CB 3.46Å; S346-T349 PolarHBondContact O-N 3.18Å; S346-V350 WeakPolarHBondContact O-CG2 3.36Å; S346-V350 PolarHBondContact O-N 2.91Å
347N91.8Very high90.5Very high77 Ų7735.5 Ų35.541%0.41220%0.196SC..Hα-helixtrans-65.1-42177.5-70.2-18.9000111.7H343 I344 T349 V350 G351H343-N347 PolarHBondContact CD2-ND2 3.35Å; H343-N347 PolarHBondContact CE1-ND2 3.14Å; H343-N347 VanDerWaalsContact CE1-ND2 3.33Å; H343-N347 PolarHBondContact CE1-OD1 2.89Å; H343-N347 PolarHBondContact NE2-ND2 3.33Å; H343-N347 VanDerWaalsContact O-CG 3.25Å; H343-N347 PolarHBondContact O-N 3.18Å; H343-N347 PolarHBondContact O-ND2 2.91Å; I344-N347 PolarHBondContact O-N 2.97Å; I344-N347 VanDerWaalsContact O-N 3.16Å; N347-T349 VanDerWaalsContact C-N 3.3Å; N347-T349 PolarHBondContact O-N 3.35Å; N347-V350 PolarHBondContact O-N 2.83Å; N347-G351 PolarHBondContact O-N 2.98Å
348I93.8Very high90.2Very high5 Ų534.8 Ų34.83%0.02619%0.193CC..Hα-helixtrans-60.1-44.3173.9-63.7167000109.7Y86 F87 N90 Y91 F97 L281 I344 L345 V350 G351 L352Y86-I348 HydrophobicContact CE1-CG2 4.26Å; F87-I348 HydrophobicContact CD2-CG2 4.13Å; F87-I348 HydrophobicContact CE2-CG2 4.27Å; N90-I348 HydrophobicContact CB-CG1 4.24Å; N90-I348 WeakPolarHBondContact O-CD1 3.49Å; Y91-I348 HydrophobicContact CD2-CD1 4.38Å; F97-I348 HydrophobicContact CZ-CD1 4.02Å; L281-I348 HydrophobicContact CD1-CB 4.42Å; L281-I348 HydrophobicContact CD1-CG2 3.93Å; L281-I348 HydrophobicContact CD2-CB 4.48Å; L281-I348 HydrophobicContact CD2-CG2 4.22Å; I344-I348 HydrophobicContact CG2-CD1 3.99Å; I344-I348 WeakPolarHBondContact O-CG1 3.13Å; I344-I348 PolarHBondContact O-N 3.47Å; L345-I348 PolarHBondContact O-N 3.43Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.32Å; I348-G351 CarbonylContact O-C 3.56Å; I348-G351 PolarHBondContact O-N 3.25Å; I348-G351 VanDerWaalsContact O-N 3.11Å; I348-L352 HydrophobicContact CG2-CD1 4.29Å; I348-L352 HydrophobicContact CG2-CG 4.42Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.31Å
349T93.4Very high89.8Confident2 Ų234.9 Ų34.91%0.01219%0.193CC..Hα-helixtrans-57.7-46.1177.7-57.40000111.9I226 E229 L278 L281 L345 S346 N347 G351 L352I226-T349 HydrophobicContact CG1-CG2 4.2Å; E229-T349 HydrophobicContact CB-CG2 4.48Å; E229-T349 HydrophobicContact CG-CG2 4.5Å; L278-T349 HydrophobicContact CD2-CG2 3.8Å; L281-T349 WeakPolarHBondContact CD1-OG1 3.25Å; L345-T349 PolarHBondContact O-N 3.4Å; L345-T349 PolarHBondContact O-OG1 3.45Å; S346-T349 WeakPolarHBondContact O-CB 3.46Å; S346-T349 PolarHBondContact O-N 3.18Å; N347-T349 VanDerWaalsContact C-N 3.3Å; N347-T349 PolarHBondContact O-N 3.35Å; T349-G351 VanDerWaalsContact C-N 3.34Å; T349-L352 PolarHBondContact O-N 2.97Å
350V92.1Very high89.6Confident84 Ų8437.1 Ų37.151%0.50921%0.212SC..Hα-helixtrans-63.7-41.4175.7173.80000111.1S346 N347 I348 L352 K353S346-V350 WeakPolarHBondContact O-CG2 3.36Å; S346-V350 PolarHBondContact O-N 2.91Å; N347-V350 PolarHBondContact O-N 2.83Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.32Å; V350-L352 PolarHBondContact O-N 3.32Å; V350-K353 PolarHBondContact O-N 2.9Å
351G93.3Very high89.3Confident19 Ų1940.3 Ų40.320%0.19622%0.224CC..Hα-helixtrans-66.9-19.3178.100000114.9N347 I348 T349 P354 F355N347-G351 PolarHBondContact O-N 2.98Å; I348-G351 CarbonylContact O-C 3.56Å; I348-G351 PolarHBondContact O-N 3.25Å; I348-G351 VanDerWaalsContact O-N 3.11Å; T349-G351 VanDerWaalsContact C-N 3.34Å; G351-P354 WeakPolarHBondContact O-CD 3.39Å; G351-F355 VanDerWaalsContact O-CE2 3.31Å; G351-F355 WeakPolarHBondContact O-CE2 3.38Å
352L93.7Very high88.7Confident0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-80.4-24.7175.4-69.7170000113.4M83 Y86 F87 H274 F277 L281 I348 T349 V350 P354 F355M83-L352 HydrophobicContact CG-CD2 3.49Å; M83-L352 VanDerWaalsContact CG-CD2 3.49Å; M83-L352 HydrophobicContact SD-CD2 4.22Å; Y86-L352 HydrophobicContact CD1-CD2 3.78Å; Y86-L352 HydrophobicContact CD1-CG 4.37Å; Y86-L352 HydrophobicContact CE1-CD2 4.2Å; Y86-L352 HydrophobicContact CE1-CG 4.29Å; F87-L352 HydrophobicContact CB-CD2 4.46Å; F87-L352 HydrophobicContact CD2-CD1 4.23Å; F87-L352 HydrophobicContact CD2-CD2 4.33Å; H274-L352 VanDerWaalsContact CE1-CB 3.48Å; H274-L352 WeakPolarHBondContact CE1-CB 3.35Å; F277-L352 HydrophobicContact CB-CD1 4.09Å; F277-L352 HydrophobicContact CD2-CD2 4.26Å; L281-L352 HydrophobicContact CD1-CD1 3.92Å; I348-L352 HydrophobicContact CG2-CD1 4.29Å; I348-L352 HydrophobicContact CG2-CG 4.42Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.31Å; T349-L352 PolarHBondContact O-N 2.97Å; V350-L352 PolarHBondContact O-N 3.32Å; L352-P354 VanDerWaalsContact C-CD 3.44Å; L352-F355 WeakPolarHBondContact O-CD2 3.37Å; L352-F355 PolarHBondContact O-N 3.11Å
353K90.4Very high88.3Confident78 Ų7845.3 Ų45.334%0.33924%0.243SC..G310 helixtrans-58.8-40.1-175.7-61.7-171.2175.3-150.60115.3E229 V350 F355 L356E229-K353 WeakPolarHBondContact OE1-CE 3.44Å; E229-K353 IonicContact OE1-NZ 3.6Å; E229-K353 WeakPolarHBondContact OE2-CE 3.36Å; E229-K353 IonicContact OE2-NZ 3.27Å; E229-K353 PolarHBondContact OE2-NZ 3.24Å; V350-K353 PolarHBondContact O-N 2.9Å; K353-F355 PolarHBondContact O-N 3.4Å; K353-F355 VanDerWaalsContact O-N 3.11Å; K353-L356 PolarHBondContact O-N 3.3Å
354P91.6Very high88Confident78 Ų7843.8 Ų43.851%0.50624%0.243SC..G310 helixtrans-57.5-27.2-179-26.936.8000113.8G351 L352 L356 V357G351-P354 WeakPolarHBondContact O-CD 3.39Å; L352-P354 VanDerWaalsContact C-CD 3.44Å; P354-L356 PolarHBondContact O-N 3.45Å; P354-V357 WeakPolarHBondContact O-CB 3.4Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.3Å; P354-V357 PolarHBondContact O-N 2.68Å
355F91.3Very high87.4Confident32 Ų3247.8 Ų47.814%0.1426%0.259CS..G310 helixtrans-76.9-1.8-179.6-52.5-64.6000114.3D79 K82 M83 Y86 N270 G351 L352 K353D79-F355 HydrophobicContact CB-CB 4.41Å; D79-F355 WeakPolarHBondContact CB-O 3.45Å; K82-F355 HydrophobicContact CB-CD1 3.83Å; K82-F355 HydrophobicContact CB-CE1 3.59Å; K82-F355 HydrophobicContact CB-CZ 4.48Å; M83-F355 HydrophobicContact CB-CB 3.75Å; M83-F355 HydrophobicContact CB-CD1 4.36Å; M83-F355 HydrophobicContact CB-CD2 3.65Å; M83-F355 HydrophobicContact CB-CE2 4.35Å; M83-F355 HydrophobicContact CB-CG 3.66Å; M83-F355 HydrophobicContact CG-CB 4.15Å; M83-F355 HydrophobicContact CG-CD2 3.74Å; M83-F355 HydrophobicContact CG-CG 4.16Å; M83-F355 HydrophobicContact SD-CB 4.24Å; Y86-F355 HydrophobicContact CD1-CE2 4.01Å; Y86-F355 HydrophobicContact CD2-CE2 4.44Å; Y86-F355 HydrophobicContact CD2-CZ 4.45Å; Y86-F355 AromaticContact CG-CE2 3.82Å; Y86-F355 HydrophobicContact CG-CE2 3.82Å; Y86-F355 HydrophobicContact CG-CZ 4.1Å; N270-F355 PolarHBondContact ND2-O 3.23Å; N270-F355 VanDerWaalsContact ND2-O 3.16Å; N270-F355 PolarHBondContact OD1-O 2.99Å; G351-F355 VanDerWaalsContact O-CE2 3.31Å; G351-F355 WeakPolarHBondContact O-CE2 3.38Å; L352-F355 WeakPolarHBondContact O-CD2 3.37Å; L352-F355 PolarHBondContact O-N 3.11Å; K353-F355 PolarHBondContact O-N 3.4Å; K353-F355 VanDerWaalsContact O-N 3.11Å
356L89.2Confident86.7Confident20 Ų2050.9 Ų50.911%0.10529%0.285CS..G310 helixtrans-96.6-4.7171.8-58.4-174.4000112.5N270 H274 K353 P354 Q359 A360N270-L356 VanDerWaalsContact OD1-CD2 3.23Å; N270-L356 WeakPolarHBondContact OD1-CD2 3.45Å; H274-L356 HydrophobicContact CB-CD2 3.95Å; K353-L356 PolarHBondContact O-N 3.3Å; P354-L356 PolarHBondContact O-N 3.45Å; L356-Q359 HydrophobicContact CB-CG 4.48Å; L356-Q359 WeakPolarHBondContact O-CG 3.41Å; L356-A360 PolarHBondContact O-N 3.08Å
357V85.5Confident86.2Confident65 Ų6553.8 Ų53.839%0.39429%0.294SS..Hα-helixtrans-68.1-41.1-171.4172.60000111.7P354 Q359 A360 K361P354-V357 WeakPolarHBondContact O-CB 3.4Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.3Å; P354-V357 PolarHBondContact O-N 2.68Å; V357-Q359 PolarHBondContact O-N 3.02Å; V357-A360 PolarHBondContact O-N 3.04Å; V357-K361 HydrophobicContact CG1-CD 3.89Å; V357-K361 VanDerWaalsContact CG1-CE 3.45Å; V357-K361 HydrophobicContact CG1-CG 4.2Å; V357-K361 WeakPolarHBondContact O-CB 3.45Å; V357-K361 WeakPolarHBondContact O-CG 3.26Å; V357-K361 PolarHBondContact O-N 3.13Å
358S82.1Confident85.7Confident12 Ų1250.2 Ų50.28%0.08427%0.274CS..Hα-helixtrans-64.6-40.9-177.1-610000112.9S74 D79 K361 R362S74-S358 WeakPolarHBondContact CA-OG 3.41Å; D79-S358 WeakPolarHBondContact OD2-CB 3.33Å; D79-S358 PolarHBondContact OD2-OG 3.22Å; S358-K361 PolarHBondContact O-N 3.32Å; S358-R362 PolarHBondContact O-N 3.02Å; S358-R362 VanDerWaalsContact O-N 3.12Å
359Q82.6Confident85.1Confident2 Ų253 Ų531%0.00929%0.29CS..Hα-helixtrans-66.3-39.2175.161.1144.5-0.500111.8P76 Y240 A267 V271 L356 V357 K361 R362 F363P76-Q359 HydrophobicContact CG-CB 4.47Å; Y240-Q359 PolarHBondContact OH-OE1 3.23Å; A267-Q359 HydrophobicContact CB-CB 4.13Å; V271-Q359 VanDerWaalsContact CG2-CD 3.44Å; L356-Q359 HydrophobicContact CB-CG 4.48Å; L356-Q359 WeakPolarHBondContact O-CG 3.41Å; V357-Q359 PolarHBondContact O-N 3.02Å; Q359-K361 VanDerWaalsContact C-N 3.33Å; Q359-K361 PolarHBondContact O-N 3.36Å; Q359-R362 PolarHBondContact O-N 2.9Å; Q359-F363 PolarHBondContact O-N 3.45Å
360A80.8Confident84.4Confident63 Ų6355.6 Ų55.652%0.52131%0.308SS..Hα-helixtrans-70.8-31.7-178.700000112L356 V357L356-A360 PolarHBondContact O-N 3.08Å; V357-A360 PolarHBondContact O-N 3.04Å
361K82.4Confident83.7Confident153 Ų15353.2 Ų53.267%0.66529%0.292SS*.Hα-helixtrans-68-43.5172.5-76.5176.9175.7178.20112.2V357 S358 Q359V357-K361 HydrophobicContact CG1-CD 3.89Å; V357-K361 VanDerWaalsContact CG1-CE 3.45Å; V357-K361 HydrophobicContact CG1-CG 4.2Å; V357-K361 WeakPolarHBondContact O-CB 3.45Å; V357-K361 WeakPolarHBondContact O-CG 3.26Å; V357-K361 PolarHBondContact O-N 3.13Å; S358-K361 PolarHBondContact O-N 3.32Å; Q359-K361 VanDerWaalsContact C-N 3.33Å; Q359-K361 PolarHBondContact O-N 3.36Å
362R77.8Confident82.9Confident102 Ų10252.6 Ų52.639%0.38528%0.284SS..Hα-helixtrans-80.1-40-177.7-73.4-166179.6-117.3-2.2113.3E73 S74 Q263 S358 Q359E73-R362 PolarHBondContact O-NH2 2.8Å; S74-R362 WeakPolarHBondContact O-CD 3.28Å; S74-R362 PolarHBondContact O-NE 3.38Å; Q263-R362 VanDerWaalsContact OE1-NH1 3.09Å; S358-R362 PolarHBondContact O-N 3.02Å; S358-R362 VanDerWaalsContact O-N 3.12Å; Q359-R362 PolarHBondContact O-N 2.9Å
363F81.3Confident81.6Confident10 Ų1060.8 Ų60.84%0.04432%0.322CS..SBendtrans-123.290.4-175.7-55.9-62.6000109.4Y240 P260 Q263 L264 A267 Q359 Y367 L368Y240-F363 HydrophobicContact CE1-CB 4.2Å; Y240-F363 HydrophobicContact CE1-CD2 4.17Å; Y240-F363 HydrophobicContact CE1-CG 4.32Å; Y240-F363 WeakPolarHBondContact OH-CB 3.42Å; P260-F363 HydrophobicContact CG-CE1 4.4Å; P260-F363 HydrophobicContact CG-CZ 4.35Å; Q263-F363 HydrophobicContact CB-CE2 4.22Å; Q263-F363 HydrophobicContact CB-CZ 3.9Å; L264-F363 HydrophobicContact CD2-CD1 3.7Å; L264-F363 HydrophobicContact CD2-CD2 4.15Å; L264-F363 HydrophobicContact CD2-CE1 3.54Å; L264-F363 HydrophobicContact CD2-CE2 4.01Å; L264-F363 HydrophobicContact CD2-CG 4.01Å; L264-F363 HydrophobicContact CD2-CZ 3.7Å; L264-F363 HydrophobicContact CG-CE1 3.92Å; L264-F363 HydrophobicContact CG-CE2 4.44Å; L264-F363 HydrophobicContact CG-CZ 3.85Å; A267-F363 HydrophobicContact CB-CD2 3.95Å; A267-F363 HydrophobicContact CB-CE2 4.02Å; Q359-F363 PolarHBondContact O-N 3.45Å; F363-Y367 AromaticContact CD1-CD1 3.96Å; F363-Y367 HydrophobicContact CD1-CD1 3.96Å; F363-Y367 AromaticContact CD1-CE1 3.79Å; F363-Y367 HydrophobicContact CD1-CE1 3.79Å; F363-Y367 HydrophobicContact CE1-CE1 4.25Å; F363-L368 HydrophobicContact CB-CD2 4.32Å; F363-L368 HydrophobicContact CB-CG 4.47Å
364S81.3Confident80.2Confident58 Ų5862 Ų6241%0.40635%0.347SS..  trans-66.4153.2174.677.30000110.4A366 Y367 L368S364-A366 PolarHBondContact O-N 3.41Å; S364-Y367 WeakPolarHBondContact O-CB 3.49Å; S364-Y367 PolarHBondContact O-N 3.37Å; S364-Y367 WeakPolarHBondContact OG-CB 3.46Å; S364-Y367 PolarHBondContact OG-N 3.5Å; S364-L368 PolarHBondContact O-N 2.78Å
365K77.4Confident79.1Confident119 Ų11961.2 Ų61.252%0.51734%0.341SS..Hα-helixtrans-56.6-39.6176.4-173.2-178.7175.2-173.50111.9R239 Y367 L368 D369R239-K365 VanDerWaalsContact NH2-CE 3.29Å; K365-Y367 VanDerWaalsContact C-N 3.32Å; K365-Y367 PolarHBondContact O-N 2.66Å; K365-L368 PolarHBondContact O-N 2.74Å; K365-D369 WeakPolarHBondContact O-CB 3.43Å; K365-D369 PolarHBondContact O-N 3.35Å
366A78.3Confident78.2Confident71 Ų7166.6 Ų66.659%0.58737%0.366SS*.Hα-helixtrans-62.7-38.4176.900000112.4S364 D369 S370S364-A366 PolarHBondContact O-N 3.41Å; A366-D369 PolarHBondContact O-N 2.99Å; A366-S370 PolarHBondContact O-N 3.42Å; A366-S370 PolarHBondContact O-OG 2.95Å
367Y81Confident77.7Confident80 Ų8067.8 Ų67.831%0.31438%0.375SS..Hα-helixtrans-67.6-40.8175.8179.3-104000112.3M259 F363 S364 K365 S370 L371M259-Y367 HydrophobicContact CE-CE1 4.37Å; M259-Y367 WeakPolarHBondContact CE-OH 3.13Å; F363-Y367 AromaticContact CD1-CD1 3.96Å; F363-Y367 HydrophobicContact CD1-CD1 3.96Å; F363-Y367 AromaticContact CD1-CE1 3.79Å; F363-Y367 HydrophobicContact CD1-CE1 3.79Å; F363-Y367 HydrophobicContact CE1-CE1 4.25Å; S364-Y367 WeakPolarHBondContact O-CB 3.49Å; S364-Y367 PolarHBondContact O-N 3.37Å; S364-Y367 WeakPolarHBondContact OG-CB 3.46Å; S364-Y367 PolarHBondContact OG-N 3.5Å; K365-Y367 VanDerWaalsContact C-N 3.32Å; K365-Y367 PolarHBondContact O-N 2.66Å; Y367-S370 WeakPolarHBondContact CA-OG 3.4Å; Y367-S370 PolarHBondContact O-N 2.98Å; Y367-S370 PolarHBondContact O-OG 3.19Å; Y367-L371 HydrophobicContact CD1-CD1 4.06Å; Y367-L371 HydrophobicContact CE1-CD1 3.64Å; Y367-L371 HydrophobicContact CE1-CG 4.47Å; Y367-L371 WeakPolarHBondContact O-CG 3.39Å; Y367-L371 PolarHBondContact O-N 3.36Å
368L80.4Confident77.4Confident1 Ų169.6 Ų69.61%0.00538%0.377CS..Hα-helixtrans-64.5-42.1173.9-64.5175000111.4R239 Y240 V243 L264 F363 S364 K365 S370 L371 L372R239-L368 HydrophobicContact CB-CD1 4.42Å; Y240-L368 HydrophobicContact CD1-CD1 4.33Å; Y240-L368 HydrophobicContact CD1-CD2 3.94Å; Y240-L368 HydrophobicContact CD2-CD1 4.47Å; Y240-L368 HydrophobicContact CE1-CD1 3.93Å; Y240-L368 HydrophobicContact CE1-CD2 3.69Å; Y240-L368 HydrophobicContact CE1-CG 4.42Å; Y240-L368 HydrophobicContact CE2-CD1 4.07Å; V243-L368 HydrophobicContact CG2-CD2 4.43Å; L264-L368 HydrophobicContact CD2-CD2 4.35Å; F363-L368 HydrophobicContact CB-CD2 4.32Å; F363-L368 HydrophobicContact CB-CG 4.47Å; S364-L368 PolarHBondContact O-N 2.78Å; K365-L368 PolarHBondContact O-N 2.74Å; L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 2.97Å; L368-L371 PolarHBondContact O-N 2.83Å; L368-L372 WeakPolarHBondContact O-CD1 3.34Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.5Å
369D80.8Confident77.4Confident65 Ų6570.5 Ų70.535%0.34838%0.382SS..Hα-helixtrans-66.7-34179.4-66-23.3000111.2R239 K365 A366 L371 L372 E373R239-D369 IonicContact NE-OD1 3.7Å; R239-D369 PolarHBondContact NE-OD1 3.22Å; K365-D369 WeakPolarHBondContact O-CB 3.43Å; K365-D369 PolarHBondContact O-N 3.35Å; A366-D369 PolarHBondContact O-N 2.99Å; D369-L371 VanDerWaalsContact C-N 3.35Å; D369-L371 PolarHBondContact O-N 3.49Å; D369-L372 PolarHBondContact O-N 3.03Å; D369-E373 PolarHBondContact O-N 3.32Å; D369-E373 VanDerWaalsContact O-N 3.1Å
370S79.5Confident77.4Confident56 Ų5671.3 Ų71.339%0.39239%0.387SS..Hα-helixtrans-67.1-31171.9620000113.6A366 Y367 L368 L372 E373A366-S370 PolarHBondContact O-N 3.42Å; A366-S370 PolarHBondContact O-OG 2.95Å; Y367-S370 WeakPolarHBondContact CA-OG 3.4Å; Y367-S370 PolarHBondContact O-N 2.98Å; Y367-S370 PolarHBondContact O-OG 3.19Å; L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 2.97Å; S370-L372 VanDerWaalsContact C-N 3.25Å; S370-L372 PolarHBondContact O-N 3.27Å; S370-E373 VanDerWaalsContact O-CG 3.24Å; S370-E373 WeakPolarHBondContact O-CG 3.43Å
371L76.9Confident77.3Confident34 Ų3471.5 Ų71.518%0.17839%0.388CS..Hα-helixtrans-72.7-24.9175.3-66.3169000112.3V243 K246 M259 Y367 L368 D369V243-L371 HydrophobicContact CG1-CB 4.38Å; V243-L371 HydrophobicContact CG1-CD1 4.02Å; V243-L371 HydrophobicContact CG2-CB 4.12Å; K246-L371 PolarHBondContact NZ-O 3.29Å; M259-L371 HydrophobicContact CE-CD1 3.71Å; M259-L371 HydrophobicContact CE-CD2 3.85Å; M259-L371 HydrophobicContact CE-CG 4.45Å; M259-L371 HydrophobicContact SD-CD2 3.6Å; M259-L371 VanDerWaalsContact SD-CD2 3.6Å; Y367-L371 HydrophobicContact CD1-CD1 4.06Å; Y367-L371 HydrophobicContact CE1-CD1 3.64Å; Y367-L371 HydrophobicContact CE1-CG 4.47Å; Y367-L371 WeakPolarHBondContact O-CG 3.39Å; Y367-L371 PolarHBondContact O-N 3.36Å; L368-L371 PolarHBondContact O-N 2.83Å; D369-L371 VanDerWaalsContact C-N 3.35Å; D369-L371 PolarHBondContact O-N 3.49Å
372L76.7Confident77.1Confident6 Ų667.9 Ų67.93%0.03138%0.376CS..Hα-helixtrans-83.5-39.5-177.7-70.2164.5000111.9R239 A242 V243 L368 D369 S370 A374 T375 V377R239-L372 HydrophobicContact CB-CD1 4.29Å; R239-L372 HydrophobicContact CG-CD1 4.15Å; A242-L372 HydrophobicContact CB-CD2 3.69Å; V243-L372 HydrophobicContact CG2-CD1 4.17Å; V243-L372 HydrophobicContact CG2-CD2 3.73Å; V243-L372 HydrophobicContact CG2-CG 3.7Å; L368-L372 WeakPolarHBondContact O-CD1 3.34Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.5Å; D369-L372 PolarHBondContact O-N 3.03Å; S370-L372 VanDerWaalsContact C-N 3.25Å; S370-L372 PolarHBondContact O-N 3.27Å; L372-A374 PolarHBondContact O-N 2.97Å; L372-T375 WeakPolarHBondContact O-CB 3.46Å; L372-T375 PolarHBondContact O-N 3.35Å; L372-T375 PolarHBondContact O-OG1 3.35Å; L372-V377 HydrophobicContact CD1-CG2 3.68Å; L372-V377 HydrophobicContact CD2-CG2 4.47Å
373E67.3Low77.2Confident171 Ų17164.3 Ų64.380%0.79936%0.362SS*.THydrogen-bonded Turntrans43.7-63.3174.2-98.3171.2-157.800116.9D369 S370D369-E373 PolarHBondContact O-N 3.32Å; D369-E373 VanDerWaalsContact O-N 3.1Å; S370-E373 VanDerWaalsContact O-CG 3.24Å; S370-E373 WeakPolarHBondContact O-CG 3.43Å
374A60.9Low77Confident104 Ų10466.2 Ų66.286%0.8637%0.373SS*.THydrogen-bonded Turntrans-125.14.617900000114.4L372L372-A374 PolarHBondContact O-N 2.97Å
375T66.9Low76.7Confident62 Ų6266.3 Ų66.338%0.3838%0.377SS..  trans-93.9125.3-175.6-42.60000110.5L372 V377L372-T375 WeakPolarHBondContact O-CB 3.46Å; L372-T375 PolarHBondContact O-N 3.35Å; L372-T375 PolarHBondContact O-OG1 3.35Å; T375-V377 PolarHBondContact O-N 3.47Å
376E74Confident76.4Confident144 Ų14463.9 Ų63.967%0.67338%0.379SS*.  trans-66.3125.5174.2-168.5-176.1173.900110.6K378E376-K378 PolarHBondContact O-N 3.15Å
377V77.8Confident75.9Confident46 Ų4660.8 Ų60.828%0.27935%0.354SS..  trans-73.794.3174.8-179.40000108.7W238 R239 L372 T375W238-V377 HydrophobicContact CB-CG1 3.56Å; R239-V377 HydrophobicContact CG-CG1 4.32Å; R239-V377 HydrophobicContact CG-CG2 4.38Å; L372-V377 HydrophobicContact CD1-CG2 3.68Å; L372-V377 HydrophobicContact CD2-CG2 4.47Å; T375-V377 PolarHBondContact O-N 3.47Å
378K79.6Confident74.9Confident103 Ų10359.1 Ų59.145%0.44835%0.353SS..  trans-66.2136.1175.2-62.9-179-177.4178.90110E376 N382 R383E376-K378 PolarHBondContact O-N 3.15Å; K378-N382 HydrophobicContact CB-CB 4.4Å; K378-R383 HydrophobicContact CB-CG 4.17Å; K378-R383 PolarHBondContact O-NH1 3.39Å; K378-R383 PolarHBondContact O-NH2 2.97Å
379T82.5Confident73.9Confident31 Ų3165.3 Ų65.319%0.1939%0.391CS..  trans-74159.9166.669.20000109.7W238 A381 N382 R383W238-T379 HydrophobicContact CD2-CG2 4.11Å; W238-T379 HydrophobicContact CE3-CG2 3.94Å; W238-T379 HydrophobicContact CH2-CG2 3.95Å; W238-T379 HydrophobicContact CZ2-CG2 4.09Å; W238-T379 HydrophobicContact CZ3-CG2 3.87Å; T379-A381 PolarHBondContact O-N 3.5Å; T379-N382 WeakPolarHBondContact O-CB 3.29Å; T379-N382 PolarHBondContact O-N 3.03Å; T379-N382 VanDerWaalsContact O-N 3.08Å; T379-N382 WeakPolarHBondContact OG1-CB 3.38Å; T379-N382 PolarHBondContact OG1-N 3.4Å; T379-N382 PolarHBondContact OG1-OD1 3.43Å; T379-N382 VanDerWaalsContact OG1-OD1 3.09Å; T379-R383 PolarHBondContact O-N 3.11Å
380D81Confident73.1Confident19 Ų1966.3 Ų66.310%0.10239%0.394CS..Hα-helixtrans-61.5-34.8173.1-69.7-19.7000111.8R272 N382 R383 L384 P435R272-D380 IonicContact CZ-OD2 2.78Å; R272-D380 IonicContact NH1-OD2 2.64Å; R272-D380 PolarHBondContact NH1-OD2 3.41Å; R272-D380 IonicContact NH2-OD1 3.71Å; R272-D380 PolarHBondContact NH2-OD1 3.31Å; R272-D380 IonicContact NH2-OD2 2.75Å; R272-D380 PolarHBondContact NH2-OD2 2.95Å; R272-D380 VanDerWaalsContact NH2-OD2 3.08Å; D380-N382 VanDerWaalsContact C-N 3.3Å; D380-N382 PolarHBondContact O-N 3.03Å; D380-R383 PolarHBondContact O-N 2.98Å; D380-R383 IonicContact OD1-NH1 3.62Å; D380-R383 PolarHBondContact OD1-NH1 3.26Å; D380-R383 VanDerWaalsContact OD1-NH1 3.13Å; D380-L384 WeakPolarHBondContact O-CB 3.38Å; D380-L384 WeakPolarHBondContact O-CG 3.38Å; D380-L384 PolarHBondContact O-N 3.25Å; D380-P435 HydrophobicContact CB-CG 4.09Å
381A78.4Confident72.7Confident66 Ų6668.7 Ų68.755%0.54540%0.398SS..Hα-helixtrans-60.7-39.8172.700000111.9T379 L384 A385T379-A381 PolarHBondContact O-N 3.5Å; A381-L384 PolarHBondContact O-N 3.45Å; A381-A385 VanDerWaalsContact O-CB 3.3Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.15Å
382N79.6Confident72.3Confident78 Ų7867.2 Ų67.242%0.41739%0.391SS..Hα-helixtrans-68.5-38.3175.8-650.6000111.5K378 T379 D380 A385 A386K378-N382 HydrophobicContact CB-CB 4.4Å; T379-N382 WeakPolarHBondContact O-CB 3.29Å; T379-N382 PolarHBondContact O-N 3.03Å; T379-N382 VanDerWaalsContact O-N 3.08Å; T379-N382 WeakPolarHBondContact OG1-CB 3.38Å; T379-N382 PolarHBondContact OG1-N 3.4Å; T379-N382 PolarHBondContact OG1-OD1 3.43Å; T379-N382 VanDerWaalsContact OG1-OD1 3.09Å; D380-N382 VanDerWaalsContact C-N 3.3Å; D380-N382 PolarHBondContact O-N 3.03Å; N382-A385 PolarHBondContact O-N 3.45Å; N382-A386 WeakPolarHBondContact O-CB 3.28Å; N382-A386 PolarHBondContact O-N 3.32Å
383R79.3Confident71.8Confident26 Ų2670.9 Ų70.910%0.09841%0.41CS..Hα-helixtrans-62.5-42.4174.1-68.8-177.2178.383.713.2111.5E245 K378 T379 D380 S387E245-R383 IonicContact OE1-CZ 2.68Å; E245-R383 IonicContact OE1-NE 3.71Å; E245-R383 PolarHBondContact OE1-NE 2.75Å; E245-R383 IonicContact OE2-CZ 3.71Å; E245-R383 IonicContact OE2-NE 3.74Å; E245-R383 PolarHBondContact OE2-NE 2.64Å; E245-R383 IonicContact OE2-NH2 3.61Å; E245-R383 PolarHBondContact OE2-NH2 3.38Å; K378-R383 HydrophobicContact CB-CG 4.17Å; K378-R383 PolarHBondContact O-NH1 3.39Å; K378-R383 PolarHBondContact O-NH2 2.97Å; T379-R383 PolarHBondContact O-N 3.11Å; D380-R383 PolarHBondContact O-N 2.98Å; D380-R383 IonicContact OD1-NH1 3.62Å; D380-R383 PolarHBondContact OD1-NH1 3.26Å; D380-R383 VanDerWaalsContact OD1-NH1 3.13Å; R383-S387 PolarHBondContact O-OG 3.47Å
384L77.7Confident71.5Confident51 Ų5165.4 Ų65.427%0.26739%0.39SS..Hα-helixtrans-67.1-47.8175.8-65.5172.5000110.8D380 A381 A386 S387 S388 P435 G436 N437D380-L384 WeakPolarHBondContact O-CB 3.38Å; D380-L384 WeakPolarHBondContact O-CG 3.38Å; D380-L384 PolarHBondContact O-N 3.25Å; A381-L384 PolarHBondContact O-N 3.45Å; L384-A386 VanDerWaalsContact C-N 3.29Å; L384-A386 PolarHBondContact O-N 3.22Å; L384-S387 PolarHBondContact O-N 2.81Å; L384-S387 VanDerWaalsContact O-N 3.09Å; L384-S387 PolarHBondContact O-OG 3.39Å; L384-S388 PolarHBondContact O-N 3.47Å; L384-S388 VanDerWaalsContact O-N 3.13Å; L384-S388 PolarHBondContact O-OG 2.91Å; L384-S388 VanDerWaalsContact O-OG 3.13Å; L384-P435 HydrophobicContact CD2-CB 4.24Å; L384-P435 HydrophobicContact CD2-CG 4.47Å; L384-G436 WeakPolarHBondContact CD2-O 3.31Å; L384-N437 HydrophobicContact CD2-CB 3.55Å; L384-N437 PolarHBondContact O-ND2 3.22Å
385A74.6Confident71.4Confident60 Ų6067.1 Ų67.150%0.49639%0.385SS..Hα-helixtrans-60-37.9179.800000113A381 N382 S387 S388A381-A385 VanDerWaalsContact O-CB 3.3Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.15Å; N382-A385 PolarHBondContact O-N 3.45Å; A385-S387 VanDerWaalsContact C-N 3.26Å; A385-S387 PolarHBondContact O-N 3.39Å; A385-S388 PolarHBondContact O-N 3.43Å
386A71.9Confident70.9Confident67 Ų6769.8 Ų69.855%0.55440%0.396SS*.Hα-helixtrans-63.3-30.8177.300000113.2N382 L384N382-A386 WeakPolarHBondContact O-CB 3.28Å; N382-A386 PolarHBondContact O-N 3.32Å; L384-A386 VanDerWaalsContact C-N 3.29Å; L384-A386 PolarHBondContact O-N 3.22Å
387S66.1Low70.1Confident7 Ų763.7 Ų63.75%0.04937%0.368CS..Hα-helixtrans-92.4-13.8-178.956.90000113.9R383 L384 A385 V389 E390 N437 S453R383-S387 PolarHBondContact O-OG 3.47Å; L384-S387 PolarHBondContact O-N 2.81Å; L384-S387 VanDerWaalsContact O-N 3.09Å; L384-S387 PolarHBondContact O-OG 3.39Å; A385-S387 VanDerWaalsContact C-N 3.26Å; A385-S387 PolarHBondContact O-N 3.39Å; S387-V389 PolarHBondContact O-N 2.98Å; S387-E390 PolarHBondContact O-N 2.96Å; S387-E390 VanDerWaalsContact O-N 3.16Å; S387-N437 WeakPolarHBondContact OG-CB 3.34Å; S387-N437 PolarHBondContact OG-ND2 2.97Å; S387-S453 WeakPolarHBondContact CB-O 3.33Å
388S61.2Low69Low44 Ų4468.6 Ų68.631%0.30839%0.393SS..THydrogen-bonded Turntrans-65.7-15.9180-65.20000114.5L384 A385 E390 N437L384-S388 PolarHBondContact O-N 3.47Å; L384-S388 VanDerWaalsContact O-N 3.13Å; L384-S388 PolarHBondContact O-OG 2.91Å; L384-S388 VanDerWaalsContact O-OG 3.13Å; A385-S388 PolarHBondContact O-N 3.43Å; S388-E390 VanDerWaalsContact C-N 3.28Å; S388-N437 PolarHBondContact N-ND2 3.35Å; S388-N437 PolarHBondContact OG-ND2 3.17Å
389V60.3Low68.1Low131 Ų13169.8 Ų69.879%0.79441%0.409SS*.THydrogen-bonded Turntrans-77.2-18.8178.1-174.20000111.3S387 Q391S387-V389 PolarHBondContact O-N 2.98Å; V389-Q391 PolarHBondContact O-N 3.35Å
390E63.7Low67.4Low87 Ų8770.2 Ų70.241%0.40741%0.409SS..  trans-104.964.6-170.8-55-177.1167.100112.4S387 S388 R455S387-E390 PolarHBondContact O-N 2.96Å; S387-E390 VanDerWaalsContact O-N 3.16Å; S388-E390 VanDerWaalsContact C-N 3.28Å; E390-R455 HydrophobicContact CB-CB 3.84Å; E390-R455 PolarHBondContact OE2-N 3.32Å
391Q70.7Confident67.2Low105 Ų10571.8 Ų71.849%0.49142%0.424SS..  trans-66.3146.5174.4-71-175.1-9.600112V389V389-Q391 PolarHBondContact O-N 3.35Å
392I69.1Low67.2Low4 Ų470.2 Ų70.22%0.02140%0.404CS..  trans-81.7128.4177.1-60.4166.4000109.5P394 W402 I440 R455 A458 L459I392-P394 VanDerWaalsContact O-CD 3.29Å; I392-P394 WeakPolarHBondContact O-CD 3.48Å; I392-W402 HydrophobicContact CD1-CE3 3.82Å; I392-W402 HydrophobicContact CD1-CH2 3.43Å; I392-W402 VanDerWaalsContact CD1-CH2 3.43Å; I392-W402 HydrophobicContact CD1-CZ2 4.18Å; I392-W402 HydrophobicContact CD1-CZ3 3.21Å; I392-I440 HydrophobicContact CD1-CG2 3.78Å; I392-I440 HydrophobicContact CG1-CG2 3.77Å; I392-I440 PolarHBondContact N-O 3.26Å; I392-I440 VanDerWaalsContact N-O 3.17Å; I392-R455 HydrophobicContact CG1-CG 4.32Å; I392-A458 HydrophobicContact CD1-CB 3.35Å; I392-A458 HydrophobicContact CG1-CB 4.3Å; I392-L459 HydrophobicContact CG2-CD2 4.39Å
393D65.3Low67Low82 Ų8269.3 Ų69.344%0.43940%0.399SS..  trans-72.7114.3167.6-69.2-57.7000109.6N395 L396 R455D393-N395 PolarHBondContact O-N 3.13Å; D393-N395 VanDerWaalsContact O-N 3.09Å; D393-L396 HydrophobicContact CB-CD1 3.66Å; D393-L396 PolarHBondContact O-N 3.18Å; D393-L396 VanDerWaalsContact O-N 3.08Å; D393-R455 IonicContact OD2-CZ 3.93Å; D393-R455 IonicContact OD2-NH2 3.42Å; D393-R455 PolarHBondContact OD2-NH2 2.95Å
394P60.7Low66.8Low57 Ų5769.9 Ų69.937%0.3740%0.404SS..G310 helixtrans-62.9-21-177.324.2-33000112.8I392 L396 V397 L404I392-P394 VanDerWaalsContact O-CD 3.29Å; I392-P394 WeakPolarHBondContact O-CD 3.48Å; P394-L396 VanDerWaalsContact C-N 3.27Å; P394-L396 PolarHBondContact O-N 3.19Å; P394-V397 PolarHBondContact O-N 3.24Å; P394-L404 HydrophobicContact CB-CD1 4.29Å; P394-L404 HydrophobicContact CG-CD1 3.83Å
395N58.1Low66.2Low140 Ų14069.5 Ų69.575%0.74941%0.405SS*.G310 helixtrans-72.7-14.5178.1-63.9-22.1000113.9D393D393-N395 PolarHBondContact O-N 3.13Å; D393-N395 VanDerWaalsContact O-N 3.09Å
396L56.4Low65.6Low117 Ų11773.5 Ų73.561%0.61341%0.413SS*.G310 helixtrans-85-13.9178.9-97.9120.8000113.3D393 P394D393-L396 HydrophobicContact CB-CD1 3.66Å; D393-L396 PolarHBondContact O-N 3.18Å; D393-L396 VanDerWaalsContact O-N 3.08Å; P394-L396 VanDerWaalsContact C-N 3.27Å; P394-L396 PolarHBondContact O-N 3.19Å
397V57.8Low64.5Low17 Ų1775.5 Ų75.510%0.10343%0.429CS..  trans-13864.1-171.7-159.20000110.1P394 T399 L459 A462P394-V397 PolarHBondContact O-N 3.24Å; V397-T399 PolarHBondContact O-N 3.15Å; V397-L459 HydrophobicContact CG2-CD2 3.51Å; V397-A462 HydrophobicContact CG1-CB 3.95Å
398N55.5Low63.7Low149 Ų14981.6 Ų81.680%0.79746%0.461SS*.THydrogen-bonded Turntrans-61.9-3-177.5-85.6-12.6000115.3
399T60.3Low63.5Low127 Ų12784.4 Ų84.478%0.77947%0.473SS*.THydrogen-bonded Turntrans-92.3-14.7-173.2-1.10000114.4V397V397-T399 PolarHBondContact O-N 3.15Å
400Q68Low63.4Low40 Ų4087.5 Ų87.519%0.18747%0.47CS..SBendtrans-137.9154.2-170.7-73.4173.89.500113.6W402 L443 A462 P465Q400-W402 VanDerWaalsContact O-CD1 3.32Å; Q400-L443 HydrophobicContact CB-CD1 3.64Å; Q400-L443 HydrophobicContact CG-CD1 4.27Å; Q400-A462 PolarHBondContact NE2-O 2.85Å; Q400-A462 VanDerWaalsContact OE1-CA 3.24Å; Q400-A462 VanDerWaalsContact OE1-CB 3.27Å; Q400-A462 PolarHBondContact OE1-O 3.11Å; Q400-P465 VanDerWaalsContact NE2-CG 3.34Å
401A76Confident63.3Low52 Ų5284.5 Ų84.543%0.4346%0.457SS..EExtended strand (participates in β ladder)trans-82.5120.6178.700000110.6E444A401-E444 HydrophobicContact CB-CB 4.13Å; A401-E444 PolarHBondContact O-N 2.88Å
402W79.3Confident62.8Low34 Ų3486.7 Ų86.713%0.12947%0.465CS..EExtended strand (participates in β ladder)trans-114.1134178.5-69.990.2000111I392 Q400 L443 F452 A458 A462I392-W402 HydrophobicContact CD1-CE3 3.82Å; I392-W402 HydrophobicContact CD1-CH2 3.43Å; I392-W402 VanDerWaalsContact CD1-CH2 3.43Å; I392-W402 HydrophobicContact CD1-CZ2 4.18Å; I392-W402 HydrophobicContact CD1-CZ3 3.21Å; Q400-W402 VanDerWaalsContact O-CD1 3.32Å; W402-L443 HydrophobicContact CD2-CD1 4.12Å; W402-L443 HydrophobicContact CE3-CB 4.04Å; W402-L443 HydrophobicContact CE3-CD1 4.47Å; W402-L443 HydrophobicContact CH2-CB 3.99Å; W402-L443 HydrophobicContact CH2-CD1 4.32Å; W402-L443 HydrophobicContact CZ2-CD1 4Å; W402-L443 HydrophobicContact CZ3-CB 3.74Å; W402-F452 HydrophobicContact CH2-CD2 4.48Å; W402-F452 AromaticContact CH2-CE2 3.98Å; W402-F452 HydrophobicContact CH2-CE2 3.98Å; W402-F452 HydrophobicContact CZ3-CD2 4.28Å; W402-F452 AromaticContact CZ3-CE2 3.9Å; W402-F452 HydrophobicContact CZ3-CE2 3.9Å; W402-A458 HydrophobicContact CH2-CB 3.88Å; W402-A458 HydrophobicContact CZ3-CB 4.3Å; W402-A462 HydrophobicContact CH2-CB 4.24Å; W402-A462 HydrophobicContact CZ2-CB 3.57Å
403L75.6Confident62.6Low58 Ų5894.6 Ų94.630%0.30450%0.502SS..EExtended strand (participates in β ladder)trans-100.7108.7170.6-61.8174.6000108.8L411 L414 V442 F449L403-L411 HydrophobicContact CB-CD2 3.94Å; L403-L414 HydrophobicContact CD1-CD1 3.91Å; L403-V442 HydrophobicContact CB-CB 4.26Å; L403-V442 PolarHBondContact N-O 3.29Å; L403-V442 PolarHBondContact O-N 2.98Å; L403-F449 HydrophobicContact CD1-CD1 3.83Å; L403-F449 HydrophobicContact CD1-CE1 3.59Å
404L73.8Confident63.1Low39 Ų3992.9 Ų92.920%0.20449%0.492CS..  trans-89.7150.5178.1-67.7169.5000111.2P394 H406P394-L404 HydrophobicContact CB-CD1 4.29Å; P394-L404 HydrophobicContact CG-CD1 3.83Å; L404-H406 PolarHBondContact O-N 3.34Å
405P66.6Low64Low43 Ų4394 Ų9428%0.27950%0.5SS..  trans-65.397173.525.9-33.2000110.6L411 S439P405-L411 HydrophobicContact CB-CD1 3.78Å; P405-S439 WeakPolarHBondContact CG-O 3.14Å
406H60.5Low65.2Low144 Ų14489.1 Ų89.167%0.66747%0.473SS*.  trans-88159.3165.5-62.7-47.4000110.2L404 N408L404-H406 PolarHBondContact O-N 3.34Å; H406-N408 CarbonylContact O-C 3.43Å; H406-N408 PolarHBondContact O-N 2.85Å
407A49.3Very low66.6Low109 Ų10984.9 Ų84.990%0.90145%0.45SS*.SBendtrans-54.2-11.2-172.900000116.3
408N49.6Very low67.9Low135 Ų13584.4 Ų84.472%0.72245%0.447SS*.SBendtrans-98.4100.6169.7-67.5-29.6000109.3H406 R410H406-N408 CarbonylContact O-C 3.43Å; H406-N408 PolarHBondContact O-N 2.85Å; N408-R410 PolarHBondContact O-N 3.03Å
409D56.6Low69.2Low103 Ų10379.5 Ų79.555%0.55142%0.421SS*.  trans-62.732.5-168.7-137.63.2000116.2L411 K412D409-L411 PolarHBondContact O-N 2.73Å; D409-K412 WeakPolarHBondContact OD1-CE 3.14Å; D409-K412 IonicContact OD1-NZ 2.66Å; D409-K412 PolarHBondContact OD1-NZ 3.42Å; D409-K412 IonicContact OD2-NZ 2.98Å; D409-K412 PolarHBondContact OD2-NZ 2.94Å
410R58.8Low70.3Confident196 Ų19674 Ų7474%0.7439%0.389SS*.G310 helixtrans-70.3-9.8-178.2-67.4-172.6-179.8-176.20.2114N408 K412 E413N408-R410 PolarHBondContact O-N 3.03Å; R410-K412 PolarHBondContact O-N 3.43Å; R410-E413 PolarHBondContact O-N 2.81Å
411L60.5Low71.3Confident23 Ų2373.3 Ų73.312%0.1239%0.386CS..G310 helixtrans-66.4-26.7179.2-67.6-177.7000113.3L403 P405 D409 E413 L414L403-L411 HydrophobicContact CB-CD2 3.94Å; P405-L411 HydrophobicContact CB-CD1 3.78Å; D409-L411 PolarHBondContact O-N 2.73Å; L411-E413 PolarHBondContact O-N 3.41Å; L411-L414 HydrophobicContact CB-CD1 4.46Å; L411-L414 HydrophobicContact CD2-CD1 3.5Å; L411-L414 PolarHBondContact O-N 2.63Å
412K61.6Low71.9Confident151 Ų15170.9 Ų70.966%0.65737%0.365SS*.G310 helixtrans-72.5-18.1179.2-67.4172.7-176.3161.50113D409 R410D409-K412 WeakPolarHBondContact OD1-CE 3.14Å; D409-K412 IonicContact OD1-NZ 2.66Å; D409-K412 PolarHBondContact OD1-NZ 3.42Å; D409-K412 IonicContact OD2-NZ 2.98Å; D409-K412 PolarHBondContact OD2-NZ 2.94Å; R410-K412 PolarHBondContact O-N 3.43Å
413E65.5Low72.2Confident171 Ų17169.5 Ų69.580%0.79936%0.362SS*.G310 helixtrans-97-4.8-179.7-63-179.9176.900112.7R410 L411R410-E413 PolarHBondContact O-N 2.81Å; L411-E413 PolarHBondContact O-N 3.41Å
414L74.9Confident72.8Confident45 Ų4568.8 Ų68.824%0.23636%0.356CS..SBendtrans-68.9139178.9-76.3165.5000111.2L403 L411 L416 F449L403-L414 HydrophobicContact CD1-CD1 3.91Å; L411-L414 HydrophobicContact CB-CD1 4.46Å; L411-L414 HydrophobicContact CD2-CD1 3.5Å; L411-L414 PolarHBondContact O-N 2.63Å; L414-L416 PolarHBondContact O-N 3.33Å; L414-F449 HydrophobicContact CD2-CD2 4.28Å; L414-F449 HydrophobicContact CD2-CE1 4.48Å; L414-F449 HydrophobicContact CD2-CE2 4.07Å; L414-F449 HydrophobicContact CD2-CZ 4.17Å
415P78.8Confident73.4Confident82 Ų8268 Ų6853%0.53235%0.351SS..  trans-72.693.1172.830.2-32.3000109.5F449P415-F449 HydrophobicContact CG-CD2 4.26Å
416L84.1Confident74.4Confident36 Ų3666.2 Ų66.219%0.18834%0.339CS..BIsolated β-bridgetrans-73.1134.9175.1-59.8174.2000110.6L414 P438 V442 F449 A451L414-L416 PolarHBondContact O-N 3.33Å; L416-P438 HydrophobicContact CD1-CG 3.98Å; L416-V442 HydrophobicContact CD2-CG1 3.98Å; L416-V442 HydrophobicContact CD2-CG2 4.17Å; L416-F449 HydrophobicContact CD2-CB 4.17Å; L416-A451 HydrophobicContact CD1-CB 4.02Å; L416-A451 HydrophobicContact CD2-CB 4.23Å
417E85.6Confident75.6Confident29 Ų2959.5 Ų59.514%0.13631%0.308CS..G310 helixtrans-62.8158.2170.7-75.6-61.3161.100111.5N419 G420 R448 F449 Y450E417-N419 PolarHBondContact O-N 3.05Å; E417-N419 VanDerWaalsContact O-N 3.13Å; E417-G420 PolarHBondContact O-N 3.16Å; E417-R448 HydrophobicContact CG-CB 3.75Å; E417-R448 HydrophobicContact CG-CG 4.17Å; E417-R448 WeakPolarHBondContact OE1-CD 3.38Å; E417-R448 WeakPolarHBondContact OE1-CG 2.95Å; E417-R448 IonicContact OE1-NE 3.26Å; E417-F449 WeakPolarHBondContact CB-O 3.37Å; E417-F449 PolarHBondContact N-O 2.99Å; E417-Y450 HydrophobicContact CB-CD1 3.87Å; E417-Y450 HydrophobicContact CB-CE1 3.72Å; E417-Y450 HydrophobicContact CG-CD1 4.39Å; E417-Y450 HydrophobicContact CG-CE1 3.92Å
418Y85.1Confident77.3Confident6 Ų658.2 Ų58.22%0.02429%0.286CS..G310 helixtrans55.730.4-179.3-49.2-46.3000113.3G420 F421 Y450 V472 L486 L488Y418-G420 PolarHBondContact O-N 2.93Å; Y418-G420 VanDerWaalsContact O-N 3.15Å; Y418-F421 WeakPolarHBondContact O-CB 3.26Å; Y418-F421 WeakPolarHBondContact O-CD2 3.31Å; Y418-F421 PolarHBondContact O-N 2.68Å; Y418-Y450 HydrophobicContact CD2-CD1 4.17Å; Y418-Y450 HydrophobicContact CD2-CE1 4.27Å; Y418-Y450 AromaticContact CE2-CD1 3.73Å; Y418-Y450 HydrophobicContact CE2-CD1 3.73Å; Y418-Y450 AromaticContact CE2-CE1 3.53Å; Y418-Y450 HydrophobicContact CE2-CE1 3.53Å; Y418-Y450 AromaticContact CZ-CE1 3.93Å; Y418-V472 HydrophobicContact CD1-CG1 4.23Å; Y418-V472 HydrophobicContact CE1-CB 4.47Å; Y418-V472 HydrophobicContact CE1-CG1 3.66Å; Y418-V472 HydrophobicContact CE2-CG2 4.37Å; Y418-L486 WeakPolarHBondContact CA-O 3.17Å; Y418-L486 HydrophobicContact CD1-CB 4.29Å; Y418-L488 HydrophobicContact CD1-CD2 3.85Å; Y418-L488 HydrophobicContact CE1-CD2 3.53Å
419N82.4Confident78.7Confident47 Ų4754.5 Ų54.525%0.25126%0.262SS..G310 helixtrans53.929.1-173.7-83.5-22000113.9E417 F421 L485 R487E417-N419 PolarHBondContact O-N 3.05Å; E417-N419 VanDerWaalsContact O-N 3.13Å; N419-F421 HydrophobicContact CB-CD2 4.37Å; N419-F421 HydrophobicContact CB-CE2 4.36Å; N419-L485 WeakPolarHBondContact CB-O 3.34Å; N419-L485 PolarHBondContact ND2-O 3.01Å; N419-R487 WeakPolarHBondContact OD1-CD 3.34Å; N419-R487 PolarHBondContact OD1-NE 3.39Å; N419-R487 PolarHBondContact OD1-NH2 3.37Å
420G84.1Confident79.7Confident12 Ų1253.5 Ų53.512%0.12426%0.256CS..G310 helixtrans79.913.1-179.300000114.6E417 Y418 G436E417-G420 PolarHBondContact O-N 3.16Å; Y418-G420 PolarHBondContact O-N 2.93Å; Y418-G420 VanDerWaalsContact O-N 3.15Å; G420-G436 WeakPolarHBondContact O-CA 3.31Å; G420-G436 PolarHBondContact O-N 3.42Å
421F89.4Confident80.7Confident24 Ų2444.2 Ų44.211%0.10522%0.222CC..BIsolated β-bridgetrans-81.1150.7169.7-65.5-65.2000111.9Y418 N419 G423 L433 L434 L485 L486Y418-F421 WeakPolarHBondContact O-CB 3.26Å; Y418-F421 WeakPolarHBondContact O-CD2 3.31Å; Y418-F421 PolarHBondContact O-N 2.68Å; N419-F421 HydrophobicContact CB-CD2 4.37Å; N419-F421 HydrophobicContact CB-CE2 4.36Å; F421-G423 PolarHBondContact O-N 2.89Å; F421-L433 HydrophobicContact CB-CD2 4.42Å; F421-L433 HydrophobicContact CD1-CB 4.16Å; F421-L433 HydrophobicContact CD2-CD2 4.41Å; F421-L433 HydrophobicContact CE1-CB 4.3Å; F421-L433 HydrophobicContact CG-CD2 4.3Å; F421-L434 WeakPolarHBondContact CA-O 3.46Å; F421-L485 HydrophobicContact CE2-CD1 4.27Å; F421-L485 HydrophobicContact CE2-CG 4.31Å; F421-L486 HydrophobicContact CD2-CD2 3.89Å
422C88.7Confident81.9Confident1 Ų143.3 Ų43.31%0.00722%0.217CC..  trans-74.5106.1177.7-178.20000111.4Y424 M425 F426 L434 A451 S453C422-Y424 VanDerWaalsContact C-N 3.3Å; C422-Y424 PolarHBondContact O-N 3.46Å; C422-M425 HydrophobicContact CB-CB 4.23Å; C422-M425 HydrophobicContact CB-CG 4.32Å; C422-M425 PolarHBondContact O-N 3.38Å; C422-F426 PolarHBondContact O-N 3.35Å; C422-L434 PolarHBondContact N-O 3.34Å; C422-A451 WeakPolarHBondContact CA-O 3.45Å; C422-S453 PolarHBondContact SG-N 3.25Å; C422-S453 VanDerWaalsContact SG-N 3.42Å; C422-S453 PolarHBondContact SG-OG 3.41Å; C422-S453 VanDerWaalsContact SG-OG 3.42Å
423G85.9Confident83.1Confident5 Ų536.2 Ų36.25%0.05219%0.186CC..Hα-helixtrans-60.5-35.3178.700000113.7F421 F426 V427F421-G423 PolarHBondContact O-N 2.89Å; G423-F426 WeakPolarHBondContact O-CB 3.34Å; G423-F426 PolarHBondContact O-N 2.89Å; G423-V427 WeakPolarHBondContact O-CG2 3.26Å; G423-V427 PolarHBondContact O-N 3.47Å; G423-V427 VanDerWaalsContact O-N 3.14Å
424Y87.5Confident84.1Confident44 Ų4428.7 Ų28.717%0.17315%0.152CC..Hα-helixtrans-62.8-47.4176.9175.3-95.6000112.6C422 F426 V427 N428 A457 A460 F468C422-Y424 VanDerWaalsContact C-N 3.3Å; C422-Y424 PolarHBondContact O-N 3.46Å; Y424-F426 VanDerWaalsContact C-N 3.29Å; Y424-F426 PolarHBondContact O-N 3.34Å; Y424-V427 PolarHBondContact O-N 3.25Å; Y424-N428 HydrophobicContact CE1-CB 4.44Å; Y424-N428 WeakPolarHBondContact CE2-ND2 3.41Å; Y424-N428 PolarHBondContact O-N 2.96Å; Y424-N428 PolarHBondContact OH-ND2 3.28Å; Y424-A457 VanDerWaalsContact CD1-CA 3.46Å; Y424-A457 HydrophobicContact CD1-CB 3.27Å; Y424-A457 HydrophobicContact CE1-CB 3.86Å; Y424-A457 HydrophobicContact CG-CB 3.87Å; Y424-A460 HydrophobicContact CD2-CB 3.99Å; Y424-A460 HydrophobicContact CE2-CB 3.35Å; Y424-F468 HydrophobicContact CD2-CD1 4.27Å; Y424-F468 AromaticContact CD2-CE1 3.64Å; Y424-F468 HydrophobicContact CD2-CE1 3.64Å; Y424-F468 HydrophobicContact CD2-CE2 4.3Å; Y424-F468 AromaticContact CD2-CZ 3.67Å; Y424-F468 HydrophobicContact CD2-CZ 3.67Å; Y424-F468 AromaticContact CE2-CE1 3.94Å; Y424-F468 HydrophobicContact CE2-CE1 3.94Å; Y424-F468 AromaticContact CE2-CZ 3.74Å; Y424-F468 HydrophobicContact CE2-CZ 3.74Å
425M85.8Confident84.6Confident23 Ų2327.5 Ų27.511%0.11315%0.147CC..Hα-helixtrans-67.1-34.3179.5-71-60.5-79.100111.8C422 V427 R429 L434 S453C422-M425 HydrophobicContact CB-CB 4.23Å; C422-M425 HydrophobicContact CB-CG 4.32Å; C422-M425 PolarHBondContact O-N 3.38Å; M425-V427 VanDerWaalsContact C-N 3.3Å; M425-V427 PolarHBondContact O-N 3.06Å; M425-R429 HydrophobicContact CE-CG 3.71Å; M425-R429 WeakPolarHBondContact O-CB 3.38Å; M425-R429 PolarHBondContact O-N 2.82Å; M425-R429 HydrophobicContact SD-CG 4.32Å; M425-L434 HydrophobicContact CB-CD1 4.37Å; M425-L434 HydrophobicContact CE-CD1 3.57Å; M425-L434 HydrophobicContact CG-CD1 4.17Å; M425-S453 WeakPolarHBondContact CG-OG 3.39Å
426F87.7Confident84.9Confident4 Ų424 Ų242%0.01813%0.125CC..Hα-helixtrans-59.4-41.4172.9-179.9-100.9000111.9C422 G423 Y424 G431 L432 L433 V472 K475 L482 L486C422-F426 PolarHBondContact O-N 3.35Å; G423-F426 WeakPolarHBondContact O-CB 3.34Å; G423-F426 PolarHBondContact O-N 2.89Å; Y424-F426 VanDerWaalsContact C-N 3.29Å; Y424-F426 PolarHBondContact O-N 3.34Å; F426-G431 VanDerWaalsContact CE2-CA 3.49Å; F426-G431 WeakPolarHBondContact O-CA 3.23Å; F426-G431 PolarHBondContact O-N 3.31Å; F426-L432 WeakPolarHBondContact CA-O 3.46Å; F426-L432 PolarHBondContact N-O 3.05Å; F426-L433 HydrophobicContact CD2-CD2 3.66Å; F426-L433 HydrophobicContact CE2-CD2 4.17Å; F426-V472 HydrophobicContact CD1-CB 4.33Å; F426-V472 HydrophobicContact CD1-CG1 4.03Å; F426-V472 HydrophobicContact CD1-CG2 4.06Å; F426-V472 HydrophobicContact CE1-CG1 4.07Å; F426-K475 HydrophobicContact CE1-CB 3.75Å; F426-K475 HydrophobicContact CZ-CB 4.18Å; F426-L482 HydrophobicContact CE2-CD1 3.45Å; F426-L482 VanDerWaalsContact CE2-CD1 3.45Å; F426-L482 HydrophobicContact CZ-CD1 3.48Å; F426-L482 VanDerWaalsContact CZ-CD1 3.48Å; F426-L486 HydrophobicContact CE2-CD1 4.36Å; F426-L486 HydrophobicContact CZ-CD1 4.25Å
427V86.3Confident84.8Confident4 Ų422.5 Ų22.52%0.02412%0.117CC..Hα-helixtrans-72.3-53.1177.4176.10000111.4G423 Y424 M425 F468 Q471 V472 K475G423-V427 WeakPolarHBondContact O-CG2 3.26Å; G423-V427 PolarHBondContact O-N 3.47Å; G423-V427 VanDerWaalsContact O-N 3.14Å; Y424-V427 PolarHBondContact O-N 3.25Å; M425-V427 VanDerWaalsContact C-N 3.3Å; M425-V427 PolarHBondContact O-N 3.06Å; V427-F468 HydrophobicContact CB-CD1 4.14Å; V427-F468 HydrophobicContact CG1-CD1 4.08Å; V427-F468 HydrophobicContact CG1-CE1 4.29Å; V427-F468 HydrophobicContact CG2-CD1 4.28Å; V427-Q471 HydrophobicContact CG1-CB 3.91Å; V427-Q471 HydrophobicContact CG1-CG 4.49Å; V427-Q471 HydrophobicContact CG2-CB 3.88Å; V427-V472 HydrophobicContact CG2-CG2 3.62Å; V427-K475 PolarHBondContact O-NZ 3.11Å
428N83.8Confident84.7Confident82 Ų8222.4 Ų22.444%0.43912%0.119SC..Hα-helixtrans-77.4-27-169.6-7632.5000114.3Y424Y424-N428 HydrophobicContact CE1-CB 4.44Å; Y424-N428 WeakPolarHBondContact CE2-ND2 3.41Å; Y424-N428 PolarHBondContact O-N 2.96Å; Y424-N428 PolarHBondContact OH-ND2 3.28Å
429R79.8Confident84.4Confident56 Ų5624.1 Ų24.121%0.21113%0.132CC..THydrogen-bonded Turntrans-105.831.5177.8-59.7-64.2-172.21113.7112.2T248 M425 G431 L432T248-R429 WeakPolarHBondContact O-CD 3.34Å; T248-R429 PolarHBondContact O-NH1 2.84Å; M425-R429 HydrophobicContact CE-CG 3.71Å; M425-R429 WeakPolarHBondContact O-CB 3.38Å; M425-R429 PolarHBondContact O-N 2.82Å; M425-R429 HydrophobicContact SD-CG 4.32Å; R429-G431 PolarHBondContact O-N 2.71Å; R429-L432 HydrophobicContact CB-CB 3.76Å; R429-L432 HydrophobicContact CB-CD2 4.03Å; R429-L432 HydrophobicContact CG-CD2 4.38Å; R429-L432 PolarHBondContact O-N 3.43Å
430D77.4Confident84.3Confident82 Ų8221.9 Ų21.944%0.43912%0.12SC..THydrogen-bonded Turntrans49.154.2171.3-164.244.4000115.1K265 K475K265-D430 WeakPolarHBondContact CE-O 3.31Å; K265-D430 PolarHBondContact NZ-O 3.34Å; K265-D430 IonicContact NZ-OD2 2.74Å; K265-D430 PolarHBondContact NZ-OD2 3.5Å; D430-K475 IonicContact OD1-NZ 2.67Å; D430-K475 PolarHBondContact OD1-NZ 2.92Å
431G79.8Confident84.1Confident2 Ų221.3 Ų21.32%0.02111%0.114CC..THydrogen-bonded Turntrans94.77.1175.300000115.2Y269 F426 R429 L433Y269-G431 WeakPolarHBondContact CE1-O 3.4Å; Y269-G431 PolarHBondContact OH-O 3.38Å; F426-G431 VanDerWaalsContact CE2-CA 3.49Å; F426-G431 WeakPolarHBondContact O-CA 3.23Å; F426-G431 PolarHBondContact O-N 3.31Å; R429-G431 PolarHBondContact O-N 2.71Å; G431-L433 PolarHBondContact O-N 2.91Å
432L85.7Confident83.9Confident4 Ų420.2 Ų20.22%0.02111%0.109CC..  trans-67.3125.9175.5-177.665.4000111.4L244 E245 L268 F426 R429 L434L244-L432 HydrophobicContact CB-CD1 3.63Å; E245-L432 HydrophobicContact CG-CD2 4.09Å; L268-L432 HydrophobicContact CD2-CD1 4.49Å; F426-L432 WeakPolarHBondContact CA-O 3.46Å; F426-L432 PolarHBondContact N-O 3.05Å; R429-L432 HydrophobicContact CB-CB 3.76Å; R429-L432 HydrophobicContact CB-CD2 4.03Å; R429-L432 HydrophobicContact CG-CD2 4.38Å; R429-L432 PolarHBondContact O-N 3.43Å; L432-L434 HydrophobicContact CD2-CD1 4.08Å; L432-L434 HydrophobicContact CD2-CD2 4.16Å; L432-L434 HydrophobicContact CD2-CG 3.98Å; L432-L434 HydrophobicContact CG-CD2 4.19Å; L432-L434 HydrophobicContact CG-CG 4.05Å
433L87Confident83.7Confident1 Ų120.1 Ų20.11%0.00511%0.109CC..  trans-95.3105.7175.9-64.6178.2000110.8L268 Y269 F421 F426 G431 L482 L485 L486L268-L433 HydrophobicContact CD2-CB 4.48Å; Y269-L433 HydrophobicContact CD1-CD1 3.5Å; Y269-L433 VanDerWaalsContact CD1-CD1 3.5Å; Y269-L433 HydrophobicContact CD1-CG 4.15Å; Y269-L433 HydrophobicContact CE1-CD1 3.71Å; Y269-L433 HydrophobicContact CE1-CG 3.83Å; F421-L433 HydrophobicContact CB-CD2 4.42Å; F421-L433 HydrophobicContact CD1-CB 4.16Å; F421-L433 HydrophobicContact CD2-CD2 4.41Å; F421-L433 HydrophobicContact CE1-CB 4.3Å; F421-L433 HydrophobicContact CG-CD2 4.3Å; F426-L433 HydrophobicContact CD2-CD2 3.66Å; F426-L433 HydrophobicContact CE2-CD2 4.17Å; G431-L433 PolarHBondContact O-N 2.91Å; L433-L482 HydrophobicContact CD1-CD2 4.02Å; L433-L485 HydrophobicContact CD1-CD2 3.6Å; L433-L486 HydrophobicContact CD2-CD2 3.88Å
434L86.4Confident83.7Confident14 Ų1423.3 Ų23.37%0.07312%0.123CC..  trans-109.9138.2170.9-63.8-176000110.8T241 E245 F421 C422 M425 L432 G436T241-L434 HydrophobicContact CG2-CD2 3.57Å; E245-L434 HydrophobicContact CG-CD2 4.01Å; E245-L434 VanDerWaalsContact OE1-CD2 3.25Å; E245-L434 WeakPolarHBondContact OE1-CD2 3.4Å; F421-L434 WeakPolarHBondContact CA-O 3.46Å; C422-L434 PolarHBondContact N-O 3.34Å; M425-L434 HydrophobicContact CB-CD1 4.37Å; M425-L434 HydrophobicContact CE-CD1 3.57Å; M425-L434 HydrophobicContact CG-CD1 4.17Å; L432-L434 HydrophobicContact CD2-CD1 4.08Å; L432-L434 HydrophobicContact CD2-CD2 4.16Å; L432-L434 HydrophobicContact CD2-CG 3.98Å; L432-L434 HydrophobicContact CG-CD2 4.19Å; L432-L434 HydrophobicContact CG-CG 4.05Å; L434-G436 PolarHBondContact O-N 3.23Å
435P86.4Confident83.5Confident20 Ų2022.8 Ų22.813%0.1312%0.122CC..BIsolated β-bridgetrans-64.3134.7176.428.9-34.8000110.1D380 L384D380-P435 HydrophobicContact CB-CG 4.09Å; L384-P435 HydrophobicContact CD2-CB 4.24Å; L384-P435 HydrophobicContact CD2-CG 4.47Å
436G83.6Confident83.3Confident7 Ų728.2 Ų28.27%0.07215%0.145CC..  trans-81.4141.9171.800000111L384 G420 L434 P438 F452L384-G436 WeakPolarHBondContact CD2-O 3.31Å; G420-G436 WeakPolarHBondContact O-CA 3.31Å; G420-G436 PolarHBondContact O-N 3.42Å; L434-G436 PolarHBondContact O-N 3.23Å; G436-P438 WeakPolarHBondContact O-CD 3.32Å; G436-F452 CarbonylContact C-O 3.55Å; G436-F452 WeakPolarHBondContact CA-O 3.3Å
437N83.4Confident83Confident5 Ų535.5 Ų35.53%0.02718%0.179CC..BIsolated β-bridgetrans-101.2110.5177.1-173.1-0.2000110.6L384 S387 S388 S439 I440 F452L384-N437 HydrophobicContact CD2-CB 3.55Å; L384-N437 PolarHBondContact O-ND2 3.22Å; S387-N437 WeakPolarHBondContact OG-CB 3.34Å; S387-N437 PolarHBondContact OG-ND2 2.97Å; S388-N437 PolarHBondContact N-ND2 3.35Å; S388-N437 PolarHBondContact OG-ND2 3.17Å; N437-S439 PolarHBondContact O-N 3.33Å; N437-S439 VanDerWaalsContact O-N 3.11Å; N437-S439 WeakPolarHBondContact OD1-CB 3.36Å; N437-S439 PolarHBondContact OD1-N 2.83Å; N437-S439 PolarHBondContact OD1-OG 3.17Å; N437-I440 HydrophobicContact CB-CD1 4Å; N437-I440 HydrophobicContact CB-CG1 4.06Å; N437-I440 PolarHBondContact O-N 3.35Å; N437-F452 PolarHBondContact N-O 2.95Å
438P81.9Confident82.9Confident27 Ų2738 Ų3818%0.17519%0.188CC..G310 helixtrans-60.9-19.7175.2-23.635.4000113.5L416 G436 I440 G441 V442L416-P438 HydrophobicContact CD1-CG 3.98Å; G436-P438 WeakPolarHBondContact O-CD 3.32Å; P438-I440 PolarHBondContact O-N 3.12Å; P438-G441 PolarHBondContact O-N 3.09Å; P438-V442 HydrophobicContact CB-CG2 3.95Å
439S78.9Confident83Confident43 Ų4335.9 Ų35.930%0.30118%0.175SC..G310 helixtrans-70.1-18.2-179.6-40.90000113.6P405 N437 G441P405-S439 WeakPolarHBondContact CG-O 3.14Å; N437-S439 PolarHBondContact O-N 3.33Å; N437-S439 VanDerWaalsContact O-N 3.11Å; N437-S439 WeakPolarHBondContact OD1-CB 3.36Å; N437-S439 PolarHBondContact OD1-N 2.83Å; N437-S439 PolarHBondContact OD1-OG 3.17Å; S439-G441 VanDerWaalsContact C-N 3.34Å
440I80.1Confident83.3Confident0 Ų033.5 Ų33.50%017%0.166CC..G310 helixtrans-72.3-34174.1-62.4175.6000110.5I392 N437 P438 F452 A458I392-I440 HydrophobicContact CD1-CG2 3.78Å; I392-I440 HydrophobicContact CG1-CG2 3.77Å; I392-I440 PolarHBondContact N-O 3.26Å; I392-I440 VanDerWaalsContact N-O 3.17Å; N437-I440 HydrophobicContact CB-CD1 4Å; N437-I440 HydrophobicContact CB-CG1 4.06Å; N437-I440 PolarHBondContact O-N 3.35Å; P438-I440 PolarHBondContact O-N 3.12Å; I440-F452 WeakPolarHBondContact CD1-O 3.49Å; I440-A458 HydrophobicContact CG2-CB 4.5Å
441G79.8Confident83.8Confident0 Ų029.7 Ų29.70%015%0.146CC..  trans130.8133.5-169.300000110.1P438 S439P438-G441 PolarHBondContact O-N 3.09Å; S439-G441 VanDerWaalsContact C-N 3.34Å
442V85Confident84.2Confident0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-97.4126.6175.9176.10000108.4L403 L416 P438 F449 Y450L403-V442 HydrophobicContact CB-CB 4.26Å; L403-V442 PolarHBondContact N-O 3.29Å; L403-V442 PolarHBondContact O-N 2.98Å; L416-V442 HydrophobicContact CD2-CG1 3.98Å; L416-V442 HydrophobicContact CD2-CG2 4.17Å; P438-V442 HydrophobicContact CB-CG2 3.95Å; V442-F449 HydrophobicContact CG1-CB 3.74Å; V442-F449 HydrophobicContact CG1-CD1 4.16Å; V442-F449 HydrophobicContact CG1-CG 4.37Å; V442-Y450 WeakPolarHBondContact CA-O 2.98Å
443L85.2Confident84.3Confident0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-86127177174.166.4000109.9Q400 W402 F449 Y450 F452 F461Q400-L443 HydrophobicContact CB-CD1 3.64Å; Q400-L443 HydrophobicContact CG-CD1 4.27Å; W402-L443 HydrophobicContact CD2-CD1 4.12Å; W402-L443 HydrophobicContact CE3-CB 4.04Å; W402-L443 HydrophobicContact CE3-CD1 4.47Å; W402-L443 HydrophobicContact CH2-CB 3.99Å; W402-L443 HydrophobicContact CH2-CD1 4.32Å; W402-L443 HydrophobicContact CZ2-CD1 4Å; W402-L443 HydrophobicContact CZ3-CB 3.74Å; L443-F449 WeakPolarHBondContact O-CA 3.48Å; L443-Y450 PolarHBondContact N-O 3.29Å; L443-Y450 PolarHBondContact O-N 3.08Å; L443-F452 HydrophobicContact CB-CE2 3.65Å; L443-F452 HydrophobicContact CB-CZ 3.97Å; L443-F452 HydrophobicContact CD2-CE2 4.42Å; L443-F452 HydrophobicContact CD2-CZ 3.98Å; L443-F461 HydrophobicContact CD2-CD1 3.53Å; L443-F461 HydrophobicContact CD2-CE1 3.72Å
444E85.3Confident84.2Confident72 Ų7231.7 Ų31.734%0.33616%0.16SC..EExtended strand (participates in β ladder)trans-97.2118169.8-175.8-178.9176.300109.9A401 R448 F449A401-E444 HydrophobicContact CB-CB 4.13Å; A401-E444 PolarHBondContact O-N 2.88Å; E444-R448 WeakPolarHBondContact CA-O 3.39Å; E444-F449 HydrophobicContact CB-CD1 4.16Å; E444-F449 HydrophobicContact CB-CE1 4.07Å; E444-F449 HydrophobicContact CG-CD1 4.25Å; E444-F449 HydrophobicContact CG-CE1 3.82Å
445H84.1Confident84Confident32 Ų3234.8 Ų34.815%0.14817%0.17CC..EExtended strand (participates in β ladder)trans-139.3123.9176.1-178.667.1000110.2E447 R448 Y450 D466H445-E447 VanDerWaalsContact C-N 3.33Å; H445-E447 PolarHBondContact O-N 3.45Å; H445-R448 PolarHBondContact N-O 3.49Å; H445-R448 WeakPolarHBondContact O-CB 3.48Å; H445-R448 PolarHBondContact O-N 3.5Å; H445-Y450 HydrophobicContact CB-CD2 4.4Å; H445-Y450 HydrophobicContact CB-CE2 4.08Å; H445-D466 IonicContact CD2-OD1 2.73Å; H445-D466 IonicContact CE1-OD1 2.64Å; H445-D466 IonicContact NE2-OD1 2.78Å; H445-D466 PolarHBondContact NE2-OD1 3.04Å; H445-D466 IonicContact NE2-OD2 3.61Å
446K82.4Confident83.9Confident138 Ų13841.1 Ų41.160%0.620%0.198SC*.THydrogen-bonded Turntrans50.548.4-177.9-63.1177177.1166.30113.2R448 D466K446-R448 PolarHBondContact O-N 3.41Å; K446-D466 WeakPolarHBondContact CE-OD1 3.41Å; K446-D466 IonicContact NZ-OD1 3.18Å; K446-D466 PolarHBondContact NZ-OD1 2.96Å; K446-D466 IonicContact NZ-OD2 3.64Å; K446-D466 PolarHBondContact NZ-OD2 3.25Å
447E80.4Confident84Confident157 Ų15740.8 Ų40.873%0.73420%0.195SC*.THydrogen-bonded Turntrans62.518.9-178.8-51.7-180171.600114.5H445H445-E447 VanDerWaalsContact C-N 3.33Å; H445-E447 PolarHBondContact O-N 3.45Å
448R84.2Confident84.1Confident57 Ų5740.6 Ų40.622%0.21519%0.194CC..EExtended strand (participates in β ladder)trans-119.4146.4178.1-66.6-179.7176.1178.3-5.2111.4E417 E444 H445 K446 Y450 Q491E417-R448 HydrophobicContact CG-CB 3.75Å; E417-R448 HydrophobicContact CG-CG 4.17Å; E417-R448 WeakPolarHBondContact OE1-CD 3.38Å; E417-R448 WeakPolarHBondContact OE1-CG 2.95Å; E417-R448 IonicContact OE1-NE 3.26Å; E444-R448 WeakPolarHBondContact CA-O 3.39Å; H445-R448 PolarHBondContact N-O 3.49Å; H445-R448 WeakPolarHBondContact O-CB 3.48Å; H445-R448 PolarHBondContact O-N 3.5Å; K446-R448 PolarHBondContact O-N 3.41Å; R448-Y450 HydrophobicContact CB-CE2 3.7Å; R448-Y450 WeakPolarHBondContact CD-OH 3.29Å; R448-Q491 VanDerWaalsContact NH1-NE2 3.12Å
449F85.6Confident84.2Confident36 Ų3641.8 Ų41.816%0.15820%0.198CC..EExtended strand (participates in β ladder)trans-110.2122.3-174.3-58.7-68.1000111.6L403 L414 P415 L416 E417 V442 L443 E444L403-F449 HydrophobicContact CD1-CD1 3.83Å; L403-F449 HydrophobicContact CD1-CE1 3.59Å; L414-F449 HydrophobicContact CD2-CD2 4.28Å; L414-F449 HydrophobicContact CD2-CE1 4.48Å; L414-F449 HydrophobicContact CD2-CE2 4.07Å; L414-F449 HydrophobicContact CD2-CZ 4.17Å; P415-F449 HydrophobicContact CG-CD2 4.26Å; L416-F449 HydrophobicContact CD2-CB 4.17Å; E417-F449 WeakPolarHBondContact CB-O 3.37Å; E417-F449 PolarHBondContact N-O 2.99Å; V442-F449 HydrophobicContact CG1-CB 3.74Å; V442-F449 HydrophobicContact CG1-CD1 4.16Å; V442-F449 HydrophobicContact CG1-CG 4.37Å; L443-F449 WeakPolarHBondContact O-CA 3.48Å; E444-F449 HydrophobicContact CB-CD1 4.16Å; E444-F449 HydrophobicContact CB-CE1 4.07Å; E444-F449 HydrophobicContact CG-CD1 4.25Å; E444-F449 HydrophobicContact CG-CE1 3.82Å
450Y87.6Confident84.6Confident7 Ų741.1 Ų41.13%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-115.3136-177-60.1-85.7000111.5E417 Y418 V442 L443 H445 R448 F461 V469E417-Y450 HydrophobicContact CB-CD1 3.87Å; E417-Y450 HydrophobicContact CB-CE1 3.72Å; E417-Y450 HydrophobicContact CG-CD1 4.39Å; E417-Y450 HydrophobicContact CG-CE1 3.92Å; Y418-Y450 HydrophobicContact CD2-CD1 4.17Å; Y418-Y450 HydrophobicContact CD2-CE1 4.27Å; Y418-Y450 AromaticContact CE2-CD1 3.73Å; Y418-Y450 HydrophobicContact CE2-CD1 3.73Å; Y418-Y450 AromaticContact CE2-CE1 3.53Å; Y418-Y450 HydrophobicContact CE2-CE1 3.53Å; Y418-Y450 AromaticContact CZ-CE1 3.93Å; V442-Y450 WeakPolarHBondContact CA-O 2.98Å; L443-Y450 PolarHBondContact N-O 3.29Å; L443-Y450 PolarHBondContact O-N 3.08Å; H445-Y450 HydrophobicContact CB-CD2 4.4Å; H445-Y450 HydrophobicContact CB-CE2 4.08Å; R448-Y450 HydrophobicContact CB-CE2 3.7Å; R448-Y450 WeakPolarHBondContact CD-OH 3.29Å; Y450-F461 HydrophobicContact CD1-CE1 4.49Å; Y450-F461 HydrophobicContact CD1-CZ 4.05Å; Y450-F461 HydrophobicContact CD2-CE1 4.34Å; Y450-F461 HydrophobicContact CE1-CZ 4.28Å; Y450-F461 HydrophobicContact CG-CE1 4.18Å; Y450-F461 HydrophobicContact CG-CZ 4.21Å; Y450-V469 HydrophobicContact CE1-CG2 4.17Å
451A88Confident84.9Confident2 Ų241.1 Ų41.12%0.01720%0.196CC..  trans-114.6150.5176.100000111.2L416 C422L416-A451 HydrophobicContact CD1-CB 4.02Å; L416-A451 HydrophobicContact CD2-CB 4.23Å; C422-A451 WeakPolarHBondContact CA-O 3.45Å
452F88.1Confident85.2Confident1 Ų141.3 Ų41.30%0.00420%0.197CC..BIsolated β-bridgetrans-128.3155.5-171.3-54.7-74.9000112.7W402 G436 N437 I440 L443 A457 A458 F461W402-F452 HydrophobicContact CH2-CD2 4.48Å; W402-F452 AromaticContact CH2-CE2 3.98Å; W402-F452 HydrophobicContact CH2-CE2 3.98Å; W402-F452 HydrophobicContact CZ3-CD2 4.28Å; W402-F452 AromaticContact CZ3-CE2 3.9Å; W402-F452 HydrophobicContact CZ3-CE2 3.9Å; G436-F452 CarbonylContact C-O 3.55Å; G436-F452 WeakPolarHBondContact CA-O 3.3Å; N437-F452 PolarHBondContact N-O 2.95Å; I440-F452 WeakPolarHBondContact CD1-O 3.49Å; L443-F452 HydrophobicContact CB-CE2 3.65Å; L443-F452 HydrophobicContact CB-CZ 3.97Å; L443-F452 HydrophobicContact CD2-CE2 4.42Å; L443-F452 HydrophobicContact CD2-CZ 3.98Å; F452-A457 HydrophobicContact CB-CB 4.43Å; F452-A458 HydrophobicContact CB-CB 3.85Å; F452-A458 HydrophobicContact CD1-CB 4.4Å; F452-A458 HydrophobicContact CD2-CB 3.44Å; F452-A458 VanDerWaalsContact CD2-CB 3.44Å; F452-A458 HydrophobicContact CE2-CB 4.08Å; F452-A458 HydrophobicContact CG-CB 3.62Å; F452-F461 HydrophobicContact CD1-CB 4.26Å; F452-F461 HydrophobicContact CE1-CB 3.46Å; F452-F461 VanDerWaalsContact CE1-CB 3.46Å; F452-F461 AromaticContact CE1-CD1 3.65Å; F452-F461 HydrophobicContact CE1-CD1 3.65Å; F452-F461 AromaticContact CE1-CD2 3.93Å; F452-F461 HydrophobicContact CE1-CD2 3.93Å; F452-F461 HydrophobicContact CE1-CE1 4.33Å; F452-F461 AromaticContact CE1-CG 3.4Å; F452-F461 HydrophobicContact CE1-CG 3.4Å; F452-F461 VanDerWaalsContact CE1-CG 3.4Å; F452-F461 HydrophobicContact CZ-CB 3.95Å; F452-F461 AromaticContact CZ-CD1 3.53Å; F452-F461 HydrophobicContact CZ-CD1 3.53Å; F452-F461 HydrophobicContact CZ-CE1 4.14Å; F452-F461 AromaticContact CZ-CG 3.8Å; F452-F461 HydrophobicContact CZ-CG 3.8Å
453S86.2Confident85.3Confident20 Ų2046.2 Ų46.214%0.1423%0.231CC..SBendtrans-86.4-21.1-179.255.10000114.1S387 C422 M425S387-S453 WeakPolarHBondContact CB-O 3.33Å; C422-S453 PolarHBondContact SG-N 3.25Å; C422-S453 VanDerWaalsContact SG-N 3.42Å; C422-S453 PolarHBondContact SG-OG 3.41Å; C422-S453 VanDerWaalsContact SG-OG 3.42Å; M425-S453 WeakPolarHBondContact CG-OG 3.39Å
454S85.4Confident85.4Confident28 Ų2848 Ų4820%0.19624%0.244CC..SBendtrans-152162-179.862.70000110.7E456 A457 A458S454-E456 VanDerWaalsContact C-N 3.3Å; S454-E456 PolarHBondContact O-N 3.3Å; S454-A457 PolarHBondContact O-N 3.28Å; S454-A457 WeakPolarHBondContact OG-CB 3.39Å; S454-A457 PolarHBondContact OG-N 3.45Å; S454-A458 PolarHBondContact O-N 3.42Å
455R82.8Confident85.5Confident79 Ų7945.1 Ų45.130%0.29823%0.231SC..Hα-helixtrans-61.1-40.2175.4179.3-178.9-179.4173.711.2112E390 I392 D393 A457 A458 L459E390-R455 HydrophobicContact CB-CB 3.84Å; E390-R455 PolarHBondContact OE2-N 3.32Å; I392-R455 HydrophobicContact CG1-CG 4.32Å; D393-R455 IonicContact OD2-CZ 3.93Å; D393-R455 IonicContact OD2-NH2 3.42Å; D393-R455 PolarHBondContact OD2-NH2 2.95Å; R455-A457 VanDerWaalsContact C-N 3.34Å; R455-A457 PolarHBondContact O-N 2.99Å; R455-A458 WeakPolarHBondContact O-CB 3.37Å; R455-A458 PolarHBondContact O-N 3.04Å; R455-L459 HydrophobicContact CG-CD1 4.12Å; R455-L459 HydrophobicContact CG-CG 4.43Å; R455-L459 WeakPolarHBondContact O-CG 3.38Å; R455-L459 PolarHBondContact O-N 2.85Å
456E84.1Confident85.7Confident153 Ų15347 Ų4772%0.71524%0.243SC*.Hα-helixtrans-59.7-44.4177.4-63.517917500112S454 A458 L459 A460S454-E456 VanDerWaalsContact C-N 3.3Å; S454-E456 PolarHBondContact O-N 3.3Å; E456-A458 VanDerWaalsContact C-N 3.28Å; E456-A458 PolarHBondContact O-N 2.94Å; E456-L459 PolarHBondContact O-N 3.43Å; E456-A460 VanDerWaalsContact O-CB 3.3Å; E456-A460 WeakPolarHBondContact O-CB 3.03Å; E456-A460 PolarHBondContact O-N 2.9Å
457A85.6Confident86Confident0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-61.8-39.1177.900000111.8Y424 F452 S454 R455 F461Y424-A457 VanDerWaalsContact CD1-CA 3.46Å; Y424-A457 HydrophobicContact CD1-CB 3.27Å; Y424-A457 HydrophobicContact CE1-CB 3.86Å; Y424-A457 HydrophobicContact CG-CB 3.87Å; F452-A457 HydrophobicContact CB-CB 4.43Å; S454-A457 PolarHBondContact O-N 3.28Å; S454-A457 WeakPolarHBondContact OG-CB 3.39Å; S454-A457 PolarHBondContact OG-N 3.45Å; R455-A457 VanDerWaalsContact C-N 3.34Å; R455-A457 PolarHBondContact O-N 2.99Å; A457-F461 VanDerWaalsContact O-CB 3.24Å; A457-F461 WeakPolarHBondContact O-CB 3.29Å; A457-F461 PolarHBondContact O-N 3.25Å
458A85.6Confident86.3Confident0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-69-45.1179.500000112.2I392 W402 I440 F452 S454 R455 E456 F461 A462I392-A458 HydrophobicContact CD1-CB 3.35Å; I392-A458 HydrophobicContact CG1-CB 4.3Å; W402-A458 HydrophobicContact CH2-CB 3.88Å; W402-A458 HydrophobicContact CZ3-CB 4.3Å; I440-A458 HydrophobicContact CG2-CB 4.5Å; F452-A458 HydrophobicContact CB-CB 3.85Å; F452-A458 HydrophobicContact CD1-CB 4.4Å; F452-A458 HydrophobicContact CD2-CB 3.44Å; F452-A458 VanDerWaalsContact CD2-CB 3.44Å; F452-A458 HydrophobicContact CE2-CB 4.08Å; F452-A458 HydrophobicContact CG-CB 3.62Å; S454-A458 PolarHBondContact O-N 3.42Å; R455-A458 WeakPolarHBondContact O-CB 3.37Å; R455-A458 PolarHBondContact O-N 3.04Å; E456-A458 VanDerWaalsContact C-N 3.28Å; E456-A458 PolarHBondContact O-N 2.94Å; A458-F461 PolarHBondContact O-N 3.47Å; A458-A462 VanDerWaalsContact O-CB 3.23Å; A458-A462 WeakPolarHBondContact O-CB 3.32Å; A458-A462 PolarHBondContact O-N 3.39Å
459L84.6Confident86.5Confident52 Ų5236.6 Ų36.627%0.27220%0.202SC..Hα-helixtrans-64.9-42.5177.1-68.3174.6000112I392 V397 R455 E456 A462 S463I392-L459 HydrophobicContact CG2-CD2 4.39Å; V397-L459 HydrophobicContact CG2-CD2 3.51Å; R455-L459 HydrophobicContact CG-CD1 4.12Å; R455-L459 HydrophobicContact CG-CG 4.43Å; R455-L459 WeakPolarHBondContact O-CG 3.38Å; R455-L459 PolarHBondContact O-N 2.85Å; E456-L459 PolarHBondContact O-N 3.43Å; L459-A462 PolarHBondContact O-N 3.12Å; L459-S463 PolarHBondContact O-N 2.93Å; L459-S463 PolarHBondContact O-OG 3.33Å
460A86.3Confident86.6Confident30 Ų3037.4 Ų37.425%0.24822%0.216CC..Hα-helixtrans-65.3-45.6177.500000111.4Y424 E456 A462 S463 F468Y424-A460 HydrophobicContact CD2-CB 3.99Å; Y424-A460 HydrophobicContact CE2-CB 3.35Å; E456-A460 VanDerWaalsContact O-CB 3.3Å; E456-A460 WeakPolarHBondContact O-CB 3.03Å; E456-A460 PolarHBondContact O-N 2.9Å; A460-A462 VanDerWaalsContact C-N 3.32Å; A460-A462 PolarHBondContact O-N 3.35Å; A460-S463 WeakPolarHBondContact O-CB 3.46Å; A460-S463 PolarHBondContact O-N 3.07Å; A460-F468 WeakPolarHBondContact O-CE2 3.4Å
461F87Confident86.6Confident0 Ų041.1 Ų41.10%023%0.233CC..Hα-helixtrans-62.2-40.8176.6-171.8-84.1000112L443 Y450 F452 A457 A458 S463 S464 P465 F468 V469L443-F461 HydrophobicContact CD2-CD1 3.53Å; L443-F461 HydrophobicContact CD2-CE1 3.72Å; Y450-F461 HydrophobicContact CD1-CE1 4.49Å; Y450-F461 HydrophobicContact CD1-CZ 4.05Å; Y450-F461 HydrophobicContact CD2-CE1 4.34Å; Y450-F461 HydrophobicContact CE1-CZ 4.28Å; Y450-F461 HydrophobicContact CG-CE1 4.18Å; Y450-F461 HydrophobicContact CG-CZ 4.21Å; F452-F461 HydrophobicContact CD1-CB 4.26Å; F452-F461 HydrophobicContact CE1-CB 3.46Å; F452-F461 VanDerWaalsContact CE1-CB 3.46Å; F452-F461 AromaticContact CE1-CD1 3.65Å; F452-F461 HydrophobicContact CE1-CD1 3.65Å; F452-F461 AromaticContact CE1-CD2 3.93Å; F452-F461 HydrophobicContact CE1-CD2 3.93Å; F452-F461 HydrophobicContact CE1-CE1 4.33Å; F452-F461 AromaticContact CE1-CG 3.4Å; F452-F461 HydrophobicContact CE1-CG 3.4Å; F452-F461 VanDerWaalsContact CE1-CG 3.4Å; F452-F461 HydrophobicContact CZ-CB 3.95Å; F452-F461 AromaticContact CZ-CD1 3.53Å; F452-F461 HydrophobicContact CZ-CD1 3.53Å; F452-F461 HydrophobicContact CZ-CE1 4.14Å; F452-F461 AromaticContact CZ-CG 3.8Å; F452-F461 HydrophobicContact CZ-CG 3.8Å; A457-F461 VanDerWaalsContact O-CB 3.24Å; A457-F461 WeakPolarHBondContact O-CB 3.29Å; A457-F461 PolarHBondContact O-N 3.25Å; A458-F461 PolarHBondContact O-N 3.47Å; F461-S463 PolarHBondContact O-N 3.07Å; F461-S464 CarbonylContact O-C 3.34Å; F461-S464 PolarHBondContact O-N 3.27Å; F461-P465 HydrophobicContact CD1-CB 4.12Å; F461-P465 HydrophobicContact CE1-CB 3.71Å; F461-P465 HydrophobicContact CZ-CB 4.38Å; F461-P465 WeakPolarHBondContact O-CA 3.23Å; F461-P465 VanDerWaalsContact O-N 3.1Å; F461-F468 HydrophobicContact CB-CD2 4.34Å; F461-F468 HydrophobicContact CD2-CB 3.48Å; F461-F468 VanDerWaalsContact CD2-CB 3.48Å; F461-F468 AromaticContact CD2-CD2 3.86Å; F461-F468 HydrophobicContact CD2-CD2 3.86Å; F461-F468 AromaticContact CD2-CG 3.73Å; F461-F468 HydrophobicContact CD2-CG 3.73Å; F461-F468 HydrophobicContact CE2-CB 3.34Å; F461-F468 HydrophobicContact CE2-CG 4.13Å; F461-F468 HydrophobicContact CG-CB 4.49Å; F461-F468 HydrophobicContact CG-CD2 4.21Å; F461-F468 HydrophobicContact CZ-CB 4.25Å; F461-V469 HydrophobicContact CZ-CG2 4.05Å
462A86.6Confident86.6Confident3 Ų341 Ų413%0.02523%0.233CC..Hα-helixtrans-66.8-20.5178.800000113.6V397 Q400 W402 A458 L459 A460 S464V397-A462 HydrophobicContact CG1-CB 3.95Å; Q400-A462 PolarHBondContact NE2-O 2.85Å; Q400-A462 VanDerWaalsContact OE1-CA 3.24Å; Q400-A462 VanDerWaalsContact OE1-CB 3.27Å; Q400-A462 PolarHBondContact OE1-O 3.11Å; W402-A462 HydrophobicContact CH2-CB 4.24Å; W402-A462 HydrophobicContact CZ2-CB 3.57Å; A458-A462 VanDerWaalsContact O-CB 3.23Å; A458-A462 WeakPolarHBondContact O-CB 3.32Å; A458-A462 PolarHBondContact O-N 3.39Å; L459-A462 PolarHBondContact O-N 3.12Å; A460-A462 VanDerWaalsContact C-N 3.32Å; A460-A462 PolarHBondContact O-N 3.35Å; A462-S464 VanDerWaalsContact C-N 3.33Å
463S86.9Confident86.5Confident104 Ų10442.2 Ų42.273%0.72724%0.243SC*.Hα-helixtrans-69.9-31.9175-58.90000112.3L459 A460 F461L459-S463 PolarHBondContact O-N 2.93Å; L459-S463 PolarHBondContact O-OG 3.33Å; A460-S463 WeakPolarHBondContact O-CB 3.46Å; A460-S463 PolarHBondContact O-N 3.07Å; F461-S463 PolarHBondContact O-N 3.07Å
464S86.6Confident86.4Confident37 Ų3745.6 Ų45.626%0.25926%0.256SS..SBendtrans-152.766.9-176.159.10000112.3F461 A462 D466 D467 F468F461-S464 CarbonylContact O-C 3.34Å; F461-S464 PolarHBondContact O-N 3.27Å; A462-S464 VanDerWaalsContact C-N 3.33Å; S464-D466 PolarHBondContact O-N 3.45Å; S464-D467 PolarHBondContact O-N 2.7Å; S464-F468 WeakPolarHBondContact O-CD2 3.44Å; S464-F468 PolarHBondContact O-N 3.39Å; S464-F468 VanDerWaalsContact OG-CE2 3.29Å; S464-F468 WeakPolarHBondContact OG-CE2 3.43Å
465P86.9Confident86.4Confident11 Ų1146.5 Ų46.57%0.07126%0.257CS..Hα-helixtrans-66-36.9-170.827.6-37.9000113Q400 F461 D467 F468 V469Q400-P465 VanDerWaalsContact NE2-CG 3.34Å; F461-P465 HydrophobicContact CD1-CB 4.12Å; F461-P465 HydrophobicContact CE1-CB 3.71Å; F461-P465 HydrophobicContact CZ-CB 4.38Å; F461-P465 WeakPolarHBondContact O-CA 3.23Å; F461-P465 VanDerWaalsContact O-N 3.1Å; P465-D467 VanDerWaalsContact C-N 3.35Å; P465-D467 PolarHBondContact O-N 3.01Å; P465-F468 PolarHBondContact O-N 3.34Å; P465-V469 VanDerWaalsContact O-CG2 3.27Å; P465-V469 WeakPolarHBondContact O-CG2 3.13Å; P465-V469 PolarHBondContact O-N 3.16Å
466D88.4Confident86.5Confident73 Ų7342.8 Ų42.839%0.3924%0.242SC..Hα-helixtrans-64.7-39.1-178.7-78.5-22000112.2H445 K446 S464 V469 A470H445-D466 IonicContact CD2-OD1 2.73Å; H445-D466 IonicContact CE1-OD1 2.64Å; H445-D466 IonicContact NE2-OD1 2.78Å; H445-D466 PolarHBondContact NE2-OD1 3.04Å; H445-D466 IonicContact NE2-OD2 3.61Å; K446-D466 WeakPolarHBondContact CE-OD1 3.41Å; K446-D466 IonicContact NZ-OD1 3.18Å; K446-D466 PolarHBondContact NZ-OD1 2.96Å; K446-D466 IonicContact NZ-OD2 3.64Å; K446-D466 PolarHBondContact NZ-OD2 3.25Å; S464-D466 PolarHBondContact O-N 3.45Å; D466-V469 PolarHBondContact O-N 3.27Å; D466-A470 WeakPolarHBondContact O-CB 3.36Å; D466-A470 PolarHBondContact O-N 2.68Å
467D89.5Confident86.6Confident99 Ų9937.6 Ų37.653%0.52922%0.218SC..Hα-helixtrans-67-41178-64.4-25.2000111.3S464 P465 A470 Q471S464-D467 PolarHBondContact O-N 2.7Å; P465-D467 VanDerWaalsContact C-N 3.35Å; P465-D467 PolarHBondContact O-N 3.01Å; D467-A470 PolarHBondContact O-N 2.52Å; D467-Q471 WeakPolarHBondContact O-CB 3.46Å; D467-Q471 VanDerWaalsContact O-CG 3.24Å; D467-Q471 WeakPolarHBondContact O-CG 3.46Å; D467-Q471 PolarHBondContact O-N 2.91Å; D467-Q471 PolarHBondContact O-NE2 3.35Å
468F87.6Confident86.5Confident20 Ų2041.7 Ų41.79%0.08824%0.236CC..Hα-helixtrans-67.7-41.4176.1-74.6-68.8000111.7Y424 V427 A460 F461 S464 P465 A470 Q471 V472Y424-F468 HydrophobicContact CD2-CD1 4.27Å; Y424-F468 AromaticContact CD2-CE1 3.64Å; Y424-F468 HydrophobicContact CD2-CE1 3.64Å; Y424-F468 HydrophobicContact CD2-CE2 4.3Å; Y424-F468 AromaticContact CD2-CZ 3.67Å; Y424-F468 HydrophobicContact CD2-CZ 3.67Å; Y424-F468 AromaticContact CE2-CE1 3.94Å; Y424-F468 HydrophobicContact CE2-CE1 3.94Å; Y424-F468 AromaticContact CE2-CZ 3.74Å; Y424-F468 HydrophobicContact CE2-CZ 3.74Å; V427-F468 HydrophobicContact CB-CD1 4.14Å; V427-F468 HydrophobicContact CG1-CD1 4.08Å; V427-F468 HydrophobicContact CG1-CE1 4.29Å; V427-F468 HydrophobicContact CG2-CD1 4.28Å; A460-F468 WeakPolarHBondContact O-CE2 3.4Å; F461-F468 HydrophobicContact CB-CD2 4.34Å; F461-F468 HydrophobicContact CD2-CB 3.48Å; F461-F468 VanDerWaalsContact CD2-CB 3.48Å; F461-F468 AromaticContact CD2-CD2 3.86Å; F461-F468 HydrophobicContact CD2-CD2 3.86Å; F461-F468 AromaticContact CD2-CG 3.73Å; F461-F468 HydrophobicContact CD2-CG 3.73Å; F461-F468 HydrophobicContact CE2-CB 3.34Å; F461-F468 HydrophobicContact CE2-CG 4.13Å; F461-F468 HydrophobicContact CG-CB 4.49Å; F461-F468 HydrophobicContact CG-CD2 4.21Å; F461-F468 HydrophobicContact CZ-CB 4.25Å; S464-F468 WeakPolarHBondContact O-CD2 3.44Å; S464-F468 PolarHBondContact O-N 3.39Å; S464-F468 VanDerWaalsContact OG-CE2 3.29Å; S464-F468 WeakPolarHBondContact OG-CE2 3.43Å; P465-F468 PolarHBondContact O-N 3.34Å; F468-A470 VanDerWaalsContact C-N 3.32Å; F468-A470 PolarHBondContact O-N 3.43Å; F468-Q471 PolarHBondContact O-N 3.41Å; F468-V472 VanDerWaalsContact O-CG2 3.24Å; F468-V472 WeakPolarHBondContact O-CG2 3.38Å; F468-V472 PolarHBondContact O-N 3.23Å
469V88.1Confident86.5Confident14 Ų1442.8 Ų42.89%0.08524%0.24CC..Hα-helixtrans-60.9-42.1175.9171.30000111Y450 F461 P465 D466 V472 A473Y450-V469 HydrophobicContact CE1-CG2 4.17Å; F461-V469 HydrophobicContact CZ-CG2 4.05Å; P465-V469 VanDerWaalsContact O-CG2 3.27Å; P465-V469 WeakPolarHBondContact O-CG2 3.13Å; P465-V469 PolarHBondContact O-N 3.16Å; D466-V469 PolarHBondContact O-N 3.27Å; V469-V472 PolarHBondContact O-N 3.09Å; V469-A473 PolarHBondContact O-N 3.32Å
470A87.3Confident86.4Confident53 Ų5340.9 Ų40.944%0.43823%0.231SC..Hα-helixtrans-64.3-45.2175.200000111.8D466 D467 F468 V472 A473 E474D466-A470 WeakPolarHBondContact O-CB 3.36Å; D466-A470 PolarHBondContact O-N 2.68Å; D467-A470 PolarHBondContact O-N 2.52Å; F468-A470 VanDerWaalsContact C-N 3.32Å; F468-A470 PolarHBondContact O-N 3.43Å; A470-V472 VanDerWaalsContact C-N 3.35Å; A470-V472 PolarHBondContact O-N 3.1Å; A470-A473 WeakPolarHBondContact O-CB 3.33Å; A470-A473 PolarHBondContact O-N 3.35Å; A470-A473 VanDerWaalsContact O-N 3.15Å; A470-E474 PolarHBondContact O-N 2.92Å
471Q87.3Confident86.4Confident84 Ų8439.6 Ų39.639%0.39322%0.22SC..Hα-helixtrans-64.1-36.4178-75.9177.870.800113.1V427 D467 F468 A473 E474 K475V427-Q471 HydrophobicContact CG1-CB 3.91Å; V427-Q471 HydrophobicContact CG1-CG 4.49Å; V427-Q471 HydrophobicContact CG2-CB 3.88Å; D467-Q471 WeakPolarHBondContact O-CB 3.46Å; D467-Q471 VanDerWaalsContact O-CG 3.24Å; D467-Q471 WeakPolarHBondContact O-CG 3.46Å; D467-Q471 PolarHBondContact O-N 2.91Å; D467-Q471 PolarHBondContact O-NE2 3.35Å; F468-Q471 PolarHBondContact O-N 3.41Å; Q471-A473 VanDerWaalsContact C-N 3.34Å; Q471-E474 PolarHBondContact O-N 3.26Å; Q471-K475 WeakPolarHBondContact O-CB 3.45Å; Q471-K475 WeakPolarHBondContact O-CG 3.33Å; Q471-K475 PolarHBondContact O-N 2.88Å
472V87.8Confident86.5Confident1 Ų139.6 Ų39.61%0.00622%0.22CC..Hα-helixtrans-59.3-48.8172.2172.50000109.6Y418 F426 V427 F468 V469 A470 E474 K475 S476 L488Y418-V472 HydrophobicContact CD1-CG1 4.23Å; Y418-V472 HydrophobicContact CE1-CB 4.47Å; Y418-V472 HydrophobicContact CE1-CG1 3.66Å; Y418-V472 HydrophobicContact CE2-CG2 4.37Å; F426-V472 HydrophobicContact CD1-CB 4.33Å; F426-V472 HydrophobicContact CD1-CG1 4.03Å; F426-V472 HydrophobicContact CD1-CG2 4.06Å; F426-V472 HydrophobicContact CE1-CG1 4.07Å; V427-V472 HydrophobicContact CG2-CG2 3.62Å; F468-V472 VanDerWaalsContact O-CG2 3.24Å; F468-V472 WeakPolarHBondContact O-CG2 3.38Å; F468-V472 PolarHBondContact O-N 3.23Å; V469-V472 PolarHBondContact O-N 3.09Å; A470-V472 VanDerWaalsContact C-N 3.35Å; A470-V472 PolarHBondContact O-N 3.1Å; V472-E474 PolarHBondContact O-N 3.04Å; V472-K475 PolarHBondContact O-N 3.39Å; V472-S476 PolarHBondContact O-N 3.36Å; V472-S476 PolarHBondContact O-OG 3.47Å; V472-L488 HydrophobicContact CG1-CD2 4.37Å
473A85.3Confident86.3Confident26 Ų2640 Ų4022%0.21522%0.221CC..Hα-helixtrans-61.4-44.3179.700000112.4V469 A470 Q471 S476 K477V469-A473 PolarHBondContact O-N 3.32Å; A470-A473 WeakPolarHBondContact O-CB 3.33Å; A470-A473 PolarHBondContact O-N 3.35Å; A470-A473 VanDerWaalsContact O-N 3.15Å; Q471-A473 VanDerWaalsContact C-N 3.34Å; A473-S476 PolarHBondContact O-N 3.26Å; A473-K477 PolarHBondContact O-N 3.44Å
474E85.6Confident86.1Confident90 Ų9036.8 Ų36.842%0.42119%0.194SC..Hα-helixtrans-63.6-45.2176.6-68.7-5112900112.1A470 Q471 V472 S476 K477 F478A470-E474 PolarHBondContact O-N 2.92Å; Q471-E474 PolarHBondContact O-N 3.26Å; V472-E474 PolarHBondContact O-N 3.04Å; E474-S476 VanDerWaalsContact C-N 3.31Å; E474-S476 PolarHBondContact O-N 3.09Å; E474-K477 WeakPolarHBondContact O-CB 3.45Å; E474-K477 PolarHBondContact O-N 3Å; E474-K477 VanDerWaalsContact O-N 3.15Å; E474-K477 WeakPolarHBondContact OE1-CE 3.23Å; E474-K477 IonicContact OE1-NZ 2.52Å; E474-K477 PolarHBondContact OE1-NZ 3.39Å; E474-K477 WeakPolarHBondContact OE2-CE 3.28Å; E474-K477 IonicContact OE2-NZ 3.07Å; E474-K477 PolarHBondContact OE2-NZ 2.64Å; E474-F478 WeakPolarHBondContact O-CD2 3.24Å; E474-F478 WeakPolarHBondContact O-CE2 3.38Å
475K85.2Confident86.1Confident48 Ų4835.1 Ų35.121%0.20918%0.183CC..Hα-helixtrans-64.6-34.8178.5-75.8-164.9178.1-150.40112.8F426 V427 D430 Q471 V472 K477 F478F426-K475 HydrophobicContact CE1-CB 3.75Å; F426-K475 HydrophobicContact CZ-CB 4.18Å; V427-K475 PolarHBondContact O-NZ 3.11Å; D430-K475 IonicContact OD1-NZ 2.67Å; D430-K475 PolarHBondContact OD1-NZ 2.92Å; Q471-K475 WeakPolarHBondContact O-CB 3.45Å; Q471-K475 WeakPolarHBondContact O-CG 3.33Å; Q471-K475 PolarHBondContact O-N 2.88Å; V472-K475 PolarHBondContact O-N 3.39Å; K475-K477 PolarHBondContact O-N 3.47Å; K475-F478 PolarHBondContact O-N 3.16Å
476S85.5Confident86Confident0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-67.4-20.1176.6-60.80000113.7V472 A473 E474 F478 F479 L488V472-S476 PolarHBondContact O-N 3.36Å; V472-S476 PolarHBondContact O-OG 3.47Å; A473-S476 PolarHBondContact O-N 3.26Å; E474-S476 VanDerWaalsContact C-N 3.31Å; E474-S476 PolarHBondContact O-N 3.09Å; S476-F478 PolarHBondContact O-N 3.29Å; S476-F479 CarbonylContact O-C 3.27Å; S476-F479 VanDerWaalsContact O-C 3.27Å; S476-F479 PolarHBondContact O-N 2.95Å; S476-L488 WeakPolarHBondContact OG-CD1 3.17Å
477K84.3Confident85.5Confident45 Ų4535.8 Ų35.820%0.19618%0.179CC..THydrogen-bonded Turntrans-66.3-24.5174.5-63.5172.5-174.4173.70113.3L42 P44 A473 E474 K475L42-K477 WeakPolarHBondContact O-CD 3.46Å; P44-K477 HydrophobicContact CG-CB 4.42Å; P44-K477 HydrophobicContact CG-CD 4.16Å; A473-K477 PolarHBondContact O-N 3.44Å; E474-K477 WeakPolarHBondContact O-CB 3.45Å; E474-K477 PolarHBondContact O-N 3Å; E474-K477 VanDerWaalsContact O-N 3.15Å; E474-K477 WeakPolarHBondContact OE1-CE 3.23Å; E474-K477 IonicContact OE1-NZ 2.52Å; E474-K477 PolarHBondContact OE1-NZ 3.39Å; E474-K477 WeakPolarHBondContact OE2-CE 3.28Å; E474-K477 IonicContact OE2-NZ 3.07Å; E474-K477 PolarHBondContact OE2-NZ 2.64Å; K475-K477 PolarHBondContact O-N 3.47Å
478F84Confident84.7Confident86 Ų8631.4 Ų31.438%0.37716%0.155SC..THydrogen-bonded Turntrans-77.7-24175.6-59-81.9000112.7P44 T45 E474 K475 S476P44-F478 HydrophobicContact CB-CE1 4.35Å; P44-F478 HydrophobicContact CB-CZ 4.2Å; P44-F478 HydrophobicContact CG-CE1 4.35Å; P44-F478 HydrophobicContact CG-CE2 4.48Å; P44-F478 HydrophobicContact CG-CZ 3.99Å; T45-F478 HydrophobicContact CG2-CD1 3.87Å; T45-F478 HydrophobicContact CG2-CE1 3.6Å; E474-F478 WeakPolarHBondContact O-CD2 3.24Å; E474-F478 WeakPolarHBondContact O-CE2 3.38Å; K475-F478 PolarHBondContact O-N 3.16Å; S476-F478 PolarHBondContact O-N 3.29Å
479F85.9Confident83.2Confident23 Ų2333.7 Ų33.710%0.10117%0.166CC..  trans-12681.9-176.7-59.8-76000110.1K265 Q266 Y269 S476 E481 L482K265-F479 HydrophobicContact CD-CZ 4.32Å; Q266-F479 HydrophobicContact CG-CD1 4.41Å; Y269-F479 HydrophobicContact CE2-CB 4.05Å; Y269-F479 AromaticContact CE2-CD1 3.86Å; Y269-F479 HydrophobicContact CE2-CD1 3.86Å; Y269-F479 HydrophobicContact CE2-CD2 4.39Å; Y269-F479 HydrophobicContact CE2-CE1 4.42Å; Y269-F479 AromaticContact CE2-CG 3.85Å; Y269-F479 HydrophobicContact CE2-CG 3.85Å; S476-F479 CarbonylContact O-C 3.27Å; S476-F479 VanDerWaalsContact O-C 3.27Å; S476-F479 PolarHBondContact O-N 2.95Å; F479-E481 PolarHBondContact O-N 3.08Å; F479-E481 VanDerWaalsContact O-N 3.13Å; F479-L482 HydrophobicContact CB-CD1 3.71Å; F479-L482 HydrophobicContact CB-CG 3.89Å; F479-L482 HydrophobicContact CD2-CD1 4.41Å; F479-L482 HydrophobicContact CG-CD1 4.37Å; F479-L482 WeakPolarHBondContact O-CB 3.34Å; F479-L482 PolarHBondContact O-N 2.92Å
480P83Confident81.3Confident11 Ų1139.8 Ų39.87%0.07119%0.193CC..THydrogen-bonded Turntrans-60.7-25.5-173.324.7-35.2000114.2F35 A39 I81 L482 F483F35-P480 HydrophobicContact CE1-CB 4.09Å; F35-P480 HydrophobicContact CZ-CB 4.36Å; A39-P480 HydrophobicContact CB-CB 3.53Å; A39-P480 HydrophobicContact CB-CG 4Å; I81-P480 HydrophobicContact CD1-CG 4.18Å; P480-L482 PolarHBondContact O-N 3.04Å; P480-F483 HydrophobicContact CB-CD2 4.13Å; P480-F483 HydrophobicContact CB-CE2 3.98Å; P480-F483 WeakPolarHBondContact O-CD2 3.41Å; P480-F483 PolarHBondContact O-N 3.07Å
481E86.7Confident79.2Confident3 Ų341 Ų411%0.01419%0.19CC..THydrogen-bonded Turntrans-60.2-20.9172.863.3-85.7-163.200113.6T80 I81 Q84 Q266 Y269 F479T80-E481 HydrophobicContact CG2-CB 3.77Å; I81-E481 HydrophobicContact CG1-CB 4.28Å; Q84-E481 PolarHBondContact NE2-O 3.02Å; Q266-E481 WeakPolarHBondContact CG-OE1 3.47Å; Y269-E481 HydrophobicContact CD2-CG 3.88Å; Y269-E481 HydrophobicContact CG-CG 4.46Å; F479-E481 PolarHBondContact O-N 3.08Å; F479-E481 VanDerWaalsContact O-N 3.13Å
482L87.1Confident76.8Confident0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-77.7-18.3178.4-68.5-179.7000113.6Y269 F426 L433 F479 P480 Q484 L485 L486Y269-L482 HydrophobicContact CD1-CD2 3.65Å; Y269-L482 HydrophobicContact CD2-CD1 4.41Å; Y269-L482 HydrophobicContact CD2-CD2 3.72Å; Y269-L482 HydrophobicContact CD2-CG 3.95Å; Y269-L482 HydrophobicContact CE1-CD2 3.86Å; Y269-L482 HydrophobicContact CE2-CD1 3.87Å; Y269-L482 HydrophobicContact CE2-CD2 3.92Å; Y269-L482 HydrophobicContact CE2-CG 3.93Å; Y269-L482 HydrophobicContact CG-CD2 3.58Å; Y269-L482 HydrophobicContact CG-CG 4.33Å; F426-L482 HydrophobicContact CE2-CD1 3.45Å; F426-L482 VanDerWaalsContact CE2-CD1 3.45Å; F426-L482 HydrophobicContact CZ-CD1 3.48Å; F426-L482 VanDerWaalsContact CZ-CD1 3.48Å; L433-L482 HydrophobicContact CD1-CD2 4.02Å; F479-L482 HydrophobicContact CB-CD1 3.71Å; F479-L482 HydrophobicContact CB-CG 3.89Å; F479-L482 HydrophobicContact CD2-CD1 4.41Å; F479-L482 HydrophobicContact CG-CD1 4.37Å; F479-L482 WeakPolarHBondContact O-CB 3.34Å; F479-L482 PolarHBondContact O-N 2.92Å; P480-L482 PolarHBondContact O-N 3.04Å; L482-Q484 VanDerWaalsContact C-N 3.33Å; L482-Q484 PolarHBondContact O-N 2.83Å; L482-L485 HydrophobicContact CD2-CD2 3.97Å; L482-L485 PolarHBondContact O-N 2.67Å; L482-L486 HydrophobicContact CB-CD1 4.07Å; L482-L486 HydrophobicContact CB-CG 4.35Å; L482-L486 HydrophobicContact CD1-CD1 4.33Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.43Å
483F83.6Confident74Confident13 Ų1344.6 Ų44.66%0.05722%0.218CC..Hα-helixtrans-59.7-43.3-172.6-70.7-51.1000112.7F35 L42 P480 R487 L488 H489 L492F35-F483 HydrophobicContact CZ-CD2 4.41Å; L42-F483 HydrophobicContact CD1-CZ 4.47Å; P480-F483 HydrophobicContact CB-CD2 4.13Å; P480-F483 HydrophobicContact CB-CE2 3.98Å; P480-F483 WeakPolarHBondContact O-CD2 3.41Å; P480-F483 PolarHBondContact O-N 3.07Å; F483-R487 PolarHBondContact O-N 3.02Å; F483-L488 HydrophobicContact CD1-CB 4.25Å; F483-L488 HydrophobicContact CD1-CD1 4.18Å; F483-L488 PolarHBondContact O-N 3.35Å; F483-H489 VanDerWaalsContact C-CE1 3.45Å; F483-L492 HydrophobicContact CD1-CD1 4.25Å; F483-L492 HydrophobicContact CE1-CD1 3.78Å; F483-L492 HydrophobicContact CZ-CD1 4.29Å
484Q82.8Confident71.6Confident35 Ų3546 Ų4616%0.16423%0.226CC..Hα-helixtrans-79.2-37.8176-170.9176.11.200111.8Q84 E88 L482 L486 R487 H489Q84-Q484 HydrophobicContact CG-CB 4.34Å; E88-Q484 PolarHBondContact OE1-NE2 2.72Å; E88-Q484 VanDerWaalsContact OE1-NE2 3.16Å; L482-Q484 VanDerWaalsContact C-N 3.33Å; L482-Q484 PolarHBondContact O-N 2.83Å; Q484-L486 VanDerWaalsContact C-N 3.29Å; Q484-L486 PolarHBondContact O-N 3.35Å; Q484-R487 PolarHBondContact O-N 3.26Å; Q484-H489 VanDerWaalsContact CA-NE2 3.33Å; Q484-H489 WeakPolarHBondContact CA-NE2 3.5Å
485L86.3Confident69.2Low2 Ų244.8 Ų44.81%0.0123%0.232CC..Hα-helixtrans-62.5-34.7179.3-173.958.1000112.8R272 Q273 N419 F421 L433 L482R272-L485 HydrophobicContact CB-CD1 4.45Å; R272-L485 HydrophobicContact CB-CD2 4.03Å; Q273-L485 HydrophobicContact CB-CD1 4.38Å; Q273-L485 VanDerWaalsContact OE1-CB 3.25Å; N419-L485 WeakPolarHBondContact CB-O 3.34Å; N419-L485 PolarHBondContact ND2-O 3.01Å; F421-L485 HydrophobicContact CE2-CD1 4.27Å; F421-L485 HydrophobicContact CE2-CG 4.31Å; L433-L485 HydrophobicContact CD1-CD2 3.6Å; L482-L485 HydrophobicContact CD2-CD2 3.97Å; L482-L485 PolarHBondContact O-N 2.67Å
486L84.5Confident66.7Low2 Ų250.9 Ų50.91%0.0125%0.254CS..THydrogen-bonded Turntrans-100.64179.1-60.5180000112.6Y418 F421 F426 L433 L482 Q484 L488Y418-L486 WeakPolarHBondContact CA-O 3.17Å; Y418-L486 HydrophobicContact CD1-CB 4.29Å; F421-L486 HydrophobicContact CD2-CD2 3.89Å; F426-L486 HydrophobicContact CE2-CD1 4.36Å; F426-L486 HydrophobicContact CZ-CD1 4.25Å; L433-L486 HydrophobicContact CD2-CD2 3.88Å; L482-L486 HydrophobicContact CB-CD1 4.07Å; L482-L486 HydrophobicContact CB-CG 4.35Å; L482-L486 HydrophobicContact CD1-CD1 4.33Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.43Å; Q484-L486 VanDerWaalsContact C-N 3.29Å; Q484-L486 PolarHBondContact O-N 3.35Å; L486-L488 HydrophobicContact CB-CD1 3.94Å; L486-L488 HydrophobicContact CB-CD2 4.25Å; L486-L488 HydrophobicContact CB-CG 3.73Å; L486-L488 HydrophobicContact CD1-CD1 4.14Å; L486-L488 PolarHBondContact O-N 3.06Å
487R78.1Confident64Low97 Ų9755 Ų5537%0.36628%0.282SS..THydrogen-bonded Turntrans52.934.8-177.5-60.5-172.1177.8-179.96.1114.4N419 F483 Q484 H489N419-R487 WeakPolarHBondContact OD1-CD 3.34Å; N419-R487 PolarHBondContact OD1-NE 3.39Å; N419-R487 PolarHBondContact OD1-NH2 3.37Å; F483-R487 PolarHBondContact O-N 3.02Å; Q484-R487 PolarHBondContact O-N 3.26Å; R487-H489 PolarHBondContact O-N 3.48Å
488L72.4Confident61.5Low7 Ų762.6 Ų62.64%0.03731%0.311CS..G310 helixtrans-72.1-0.9-177.2-60.9172.4000113.8Y418 V472 S476 F483 L486 Q490 Q491Y418-L488 HydrophobicContact CD1-CD2 3.85Å; Y418-L488 HydrophobicContact CE1-CD2 3.53Å; V472-L488 HydrophobicContact CG1-CD2 4.37Å; S476-L488 WeakPolarHBondContact OG-CD1 3.17Å; F483-L488 HydrophobicContact CD1-CB 4.25Å; F483-L488 HydrophobicContact CD1-CD1 4.18Å; F483-L488 PolarHBondContact O-N 3.35Å; L486-L488 HydrophobicContact CB-CD1 3.94Å; L486-L488 HydrophobicContact CB-CD2 4.25Å; L486-L488 HydrophobicContact CB-CG 3.73Å; L486-L488 HydrophobicContact CD1-CD1 4.14Å; L486-L488 PolarHBondContact O-N 3.06Å; L488-Q490 PolarHBondContact O-N 3.45Å; L488-Q490 VanDerWaalsContact O-N 3.09Å; L488-Q491 PolarHBondContact O-N 3.47Å
489H56.3Low58.9Low67 Ų6763.1 Ų63.131%0.3133%0.325SS..G310 helixtrans-62-13.2178.5-57.5-32.4000114.7F483 Q484 R487 S494F483-H489 VanDerWaalsContact C-CE1 3.45Å; Q484-H489 VanDerWaalsContact CA-NE2 3.33Å; Q484-H489 WeakPolarHBondContact CA-NE2 3.5Å; R487-H489 PolarHBondContact O-N 3.48Å; H489-S494 WeakPolarHBondContact CB-OG 3.49Å
490Q49.1Very low56.4Low143 Ų14371.5 Ų71.567%0.66837%0.365SS*.G310 helixtrans-72.7-17.8170.1-65.9-170.42.700113L488L488-Q490 PolarHBondContact O-N 3.45Å; L488-Q490 VanDerWaalsContact O-N 3.09Å
491Q41.5Very low53.7Low78 Ų7881.2 Ų81.236%0.36440%0.4SS..THydrogen-bonded Turntrans-106.7-11.3-177-67.2-177.7-38.900113.8R448 L488R448-Q491 VanDerWaalsContact NH1-NE2 3.12Å; L488-Q491 PolarHBondContact O-N 3.47Å
492L38.6Very low50.9Low42 Ų4289.2 Ų89.222%0.2244%0.438CS..SBendtrans-126.7125.5174.8-81.2147000108L42 F483 S494L42-L492 HydrophobicContact CD1-CD1 4.43Å; L42-L492 HydrophobicContact CD1-CD2 3.83Å; L42-L492 HydrophobicContact CD2-CD2 3.93Å; F483-L492 HydrophobicContact CD1-CD1 4.25Å; F483-L492 HydrophobicContact CE1-CD1 3.78Å; F483-L492 HydrophobicContact CZ-CD1 4.29Å; L492-S494 PolarHBondContact O-N 3.38Å
493P29.1Very low48.1Very low119 Ų11996.1 Ų96.177%0.77348%0.482SS*.  trans-56.2104.8176.3-18.728.5000108.8K38 A495K38-P493 PolarHBondContact NZ-O 3.01Å; P493-A495 PolarHBondContact O-N 2.96Å
494S34.9Very low45.7Very low54 Ų5498 Ų9838%0.37851%0.505SS..  trans-52.9140.9-178.9-85.60000110H489 L492 R496H489-S494 WeakPolarHBondContact CB-OG 3.49Å; L492-S494 PolarHBondContact O-N 3.38Å; S494-R496 PolarHBondContact O-N 3.23Å
495A35.1Very low43.5Very low66 Ų66102.2 Ų102.255%0.54553%0.525SS..  trans-66.272.6164.600000107.8K38 P493 S497K38-A495 HydrophobicContact CD-CB 4.19Å; P493-A495 PolarHBondContact O-N 2.96Å; A495-S497 VanDerWaalsContact C-N 3.34Å; A495-S497 PolarHBondContact O-N 3.2Å; A495-S497 VanDerWaalsContact O-N 3.12Å
496R31.9Very low40.7Very low176 Ų176105.2 Ų105.266%0.66455%0.546SS*.  trans-71.2101161.7-72.5-173.7176.7-177.3-0.4104.9S494 Y498S494-R496 PolarHBondContact O-N 3.23Å; R496-Y498 PolarHBondContact O-N 3.17Å
497S29Very low38.3Very low86 Ų86108.3 Ų108.360%0.60156%0.562SS**  trans-53.6111.7161.8-62.50000107A495 S499A495-S497 VanDerWaalsContact C-N 3.34Å; A495-S497 PolarHBondContact O-N 3.2Å; A495-S497 VanDerWaalsContact O-N 3.12Å; S497-S499 PolarHBondContact O-N 3.07Å
498Y32.5Very low36Very low205 Ų205110.6 Ų110.680%0.80457%0.571SS**  trans-50.597.8173.3-95.2-107.4000109.6R496R496-Y498 PolarHBondContact O-N 3.17Å
499S28.5Very low33.7Very low96 Ų96115.7 Ų115.767%0.67160%0.604SS**  trans-127.5120.9147.850.30000104.6S497 R501S497-S499 PolarHBondContact O-N 3.07Å; S499-R501 PolarHBondContact O-N 2.82Å
500E33.1Very low32.2Very low199 Ų199118.9 Ų118.993%0.9362%0.621SS**  trans-53.3103.4174.7-72.6168.5143.600109.1
501R26.4Very low31.1Very low215 Ų215119.4 Ų119.481%0.81162%0.623SS**  trans-107.9128.4146.7-72.6-171.6-172.9179.83.9106.2S499S499-R501 PolarHBondContact O-N 2.82Å
502E27.5Very low30.5Very low172 Ų172122.6 Ų122.680%0.80464%0.641SS**  trans-42.8154.1-178.4-65.8-174.9151.600113.9G504E502-G504 PolarHBondContact O-N 3.14Å
503P29.3Very low29.9Very low144 Ų144126.6 Ų126.694%0.93566%0.663SS**SBendtrans-6984.9175.430.3-32.6000109.3
504G32Very low29.8Very low52 Ų52130.3 Ų130.354%0.53667%0.667SS.*SBendtrans176.329-175.500000115.8E502E502-G504 PolarHBondContact O-N 3.14Å
505Q37.6Very low29.6Very low124 Ų124137.3 Ų137.358%0.57969%0.685SS**  trans-171.9102.2164.5-10413876.100111
506S27.6Very low29.1Very low65 Ų65143.9 Ų143.946%0.45571%0.705SS.*  trans-118138.3155.9-1750000107W508S506-W508 PolarHBondContact O-N 3.48Å
507L33.2Very low29.2Very low67 Ų67142 Ų14235%0.35171%0.706SS.*SBendtrans-60.6-0.8179.9-99.3144.7000115.2Y91 L93Y91-L507 HydrophobicContact CE1-CD2 4.34Å; L93-L507 HydrophobicContact CB-CD2 4.45Å; L93-L507 HydrophobicContact CD1-CD2 4.2Å; L93-L507 HydrophobicContact CD1-CG 4.07Å; L93-L507 HydrophobicContact CD2-CD2 3.2Å; L93-L507 HydrophobicContact CD2-CG 4Å; L93-L507 HydrophobicContact CG-CD1 4.48Å; L93-L507 HydrophobicContact CG-CD2 3.32Å; L93-L507 HydrophobicContact CG-CG 3.61Å
508W30.7Very low29.6Very low145 Ų145141.5 Ų141.555%0.54972%0.715SS.*SBendtrans-142.5144.9-179.2-59.293.3000110.5S506 M510S506-W508 PolarHBondContact O-N 3.48Å; W508-M510 PolarHBondContact O-N 3.14Å
509P23.1Very low30.3Very low114 Ų114138.7 Ų138.774%0.7471%0.712SS**  trans-63106179.61.510.1000108.1H511P509-H511 PolarHBondContact O-N 2.99Å
510M25.3Very low31.2Very low134 Ų134142 Ų14266%0.6672%0.717SS**  trans-58.4112.4154.8-80.3-88.3168.600105.2W508 I512W508-M510 PolarHBondContact O-N 3.14Å; M510-I512 PolarHBondContact O-N 3.37Å
511H27.2Very low32.2Very low154 Ų154138.3 Ų138.371%0.71371%0.709SS**  trans-50.5115.6158.6-88.6-102000105.7P509 N513P509-H511 PolarHBondContact O-N 2.99Å; H511-N513 PolarHBondContact O-N 3.14Å
512I27.1Very low33.4Very low145 Ų145134.6 Ų134.674%0.74471%0.705SS**  trans-62.397.6174.9-61166.9000104.1M510 K514M510-I512 PolarHBondContact O-N 3.37Å; I512-K514 HydrophobicContact CG2-CG 4.16Å; I512-K514 PolarHBondContact O-N 3.37Å
513N26.7Very low34.8Very low127 Ų127131.7 Ų131.768%0.67970%0.699SS**  trans-57.994.9159.5-89.3-35.2000105.1H511 R515H511-N513 PolarHBondContact O-N 3.14Å; N513-R515 PolarHBondContact O-N 2.9Å
514K27.3Very low36.3Very low196 Ų196132.4 Ų132.485%0.85269%0.689SS**  trans-64.390.4169.3-72.7-178.2179.8176.80105.7I512I512-K514 HydrophobicContact CG2-CG 4.16Å; I512-K514 PolarHBondContact O-N 3.37Å
515R30.6Very low37.4Very low202 Ų202134.8 Ų134.876%0.76270%0.696SS**  trans-86.8125.3162.9-68.3-173.7178.2-172.9-1.2106.2N513 I517N513-R515 PolarHBondContact O-N 2.9Å; R515-I517 PolarHBondContact O-N 3.38Å
516E24.8Very low38.6Very low204 Ų204135.1 Ų135.195%0.95371%0.706SS**  trans-66.5104.9169.1-146171.4-156.500106.8
517I34.2Very low40.2Very low135 Ų135140.7 Ų140.769%0.69273%0.725SS**  trans-94.5105.1172.4-62.3173.5000105.5R515 I519R515-I517 PolarHBondContact O-N 3.38Å; I517-I519 HydrophobicContact CG2-CG1 3.87Å; I517-I519 PolarHBondContact O-N 3.02Å
518G37.6Very low41.6Very low77 Ų77143 Ų14379%0.79474%0.741SS**  trans-67.398.6164.900000108.6Q520G518-Q520 PolarHBondContact O-N 3.42Å
519I46.2Very low43.3Very low145 Ų145144.1 Ų144.174%0.74475%0.752SS**  trans-80.994.8168.4-59.2173.7000106.1I517 T521I517-I519 HydrophobicContact CG2-CG1 3.87Å; I517-I519 PolarHBondContact O-N 3.02Å; I519-T521 PolarHBondContact O-N 3.33Å
520Q48Very low45.4Very low165 Ų165144.8 Ų144.877%0.77175%0.749SS**PPolyproline II helixtrans-73.6121.1162.8-172.7170.5-600106.9G518 D522G518-Q520 PolarHBondContact O-N 3.42Å; Q520-D522 PolarHBondContact O-N 3Å
521T53.2Low47.5Very low123 Ų123142 Ų14276%0.75574%0.737SS**PPolyproline II helixtrans-64.3121.2173.7-23.40000107.2I519 T523I519-T521 PolarHBondContact O-N 3.33Å; T521-T523 PolarHBondContact O-N 2.91Å; T521-T523 VanDerWaalsContact O-N 3.1Å
522D51.9Low49.6Very low137 Ų137144.6 Ų144.673%0.73375%0.745SS**PPolyproline II helixtrans-54.6119.5175.5-75.5-29.9000108.7Q520 H524Q520-D522 PolarHBondContact O-N 3Å; D522-H524 PolarHBondContact O-N 2.89Å
523T58Low51.5Low111 Ų111141.5 Ų141.568%0.68174%0.737SS**SBendtrans-69.3-15.5-176.544.60000112.5T521T521-T523 PolarHBondContact O-N 2.91Å; T521-T523 VanDerWaalsContact O-N 3.1Å
524H60Low54.1Low158 Ų158143.7 Ų143.773%0.73174%0.737SS**SBendtrans-145.190.5173.3-57.7-61.5000110.2D522 V526D522-H524 PolarHBondContact O-N 2.89Å; H524-V526 PolarHBondContact O-N 3.06Å
525P54.2Low56.6Low103 Ų103136.8 Ų136.867%0.66971%0.707SS**  trans-59.1115165.822.7-29.6000108.1E527P525-E527 PolarHBondContact O-N 3.36Å; P525-E527 VanDerWaalsContact O-N 3.09Å
526V63.9Low59Low131 Ų131137.3 Ų137.379%0.79471%0.709SS**  trans-66110.9168.2-179.80000105.8H524 T528H524-V526 PolarHBondContact O-N 3.06Å; V526-T528 PolarHBondContact O-N 2.95Å
527E60.4Low62Low182 Ų182129.9 Ų129.985%0.8568%0.676SS**  trans-59.9108.5177.2-68.3-170.5170.900108.8P525 H529P525-E527 PolarHBondContact O-N 3.36Å; P525-E527 VanDerWaalsContact O-N 3.09Å; E527-H529 PolarHBondContact O-N 2.73Å; E527-H529 VanDerWaalsContact O-N 3.09Å
528T63Low64.3Low114 Ų114129.7 Ų129.770%0.69967%0.672SS**  trans-72.4102.6167.444.10000106.4V526 I530V526-T528 PolarHBondContact O-N 2.95Å; T528-I530 PolarHBondContact O-N 3.4Å
529H65.9Low66.4Low169 Ų169134 Ų13478%0.78267%0.665SS**  trans-71.172.7173.8-170-44.5000109.6E527 D531E527-H529 PolarHBondContact O-N 2.73Å; E527-H529 VanDerWaalsContact O-N 3.09Å; H529-D531 PolarHBondContact O-N 3.36Å
530I68.1Low68.3Low129 Ų129130.6 Ų130.666%0.66265%0.646SS**  trans-84.7100.1169.6-58.4175.4000106.6T528 K532T528-I530 PolarHBondContact O-N 3.4Å; I530-K532 PolarHBondContact O-N 3.23Å
531D69Low70.1Confident76 Ų76126.7 Ų126.741%0.40663%0.63SS.*  trans-68.2102.8171.3-177.20000109.2H529 S533 Y534H529-D531 PolarHBondContact O-N 3.36Å; D531-S533 VanDerWaalsContact CG-OG 3.3Å; D531-S533 PolarHBondContact O-N 3.06Å; D531-S533 VanDerWaalsContact O-N 3.09Å; D531-S533 WeakPolarHBondContact OD1-CA 3.44Å; D531-S533 VanDerWaalsContact OD1-CB 3.31Å; D531-S533 WeakPolarHBondContact OD1-CB 3.41Å; D531-S533 PolarHBondContact OD1-N 3.42Å; D531-S533 PolarHBondContact OD1-OG 2.96Å; D531-S533 PolarHBondContact OD2-OG 3.21Å; D531-Y534 VanDerWaalsContact O-CB 3.3Å; D531-Y534 WeakPolarHBondContact O-CB 3.39Å; D531-Y534 PolarHBondContact O-N 2.78Å; D531-Y534 VanDerWaalsContact O-N 3.07Å
532K72Confident71.7Confident207 Ų207127.2 Ų127.290%0.962%0.618SS**THydrogen-bonded Turntrans-63.7-11.1176.9-62.6-177.8-177.7177.50113I530I530-K532 PolarHBondContact O-N 3.23Å
533S66.9Low73.4Confident80 Ų80128 Ų12856%0.55961%0.611SS**THydrogen-bonded Turntrans-98.6-5.317776.80000113.8D531 E535D531-S533 VanDerWaalsContact CG-OG 3.3Å; D531-S533 PolarHBondContact O-N 3.06Å; D531-S533 VanDerWaalsContact O-N 3.09Å; D531-S533 WeakPolarHBondContact OD1-CA 3.44Å; D531-S533 VanDerWaalsContact OD1-CB 3.31Å; D531-S533 WeakPolarHBondContact OD1-CB 3.41Å; D531-S533 PolarHBondContact OD1-N 3.42Å; D531-S533 PolarHBondContact OD1-OG 2.96Å; D531-S533 PolarHBondContact OD2-OG 3.21Å; S533-E535 PolarHBondContact O-N 2.81Å
534Y80.8Confident74.7Confident174 Ų174126.6 Ų126.668%0.68260%0.595SS**  trans-66.6122.5176.5-178.7-97.7000110.9D531 W536D531-Y534 VanDerWaalsContact O-CB 3.3Å; D531-Y534 WeakPolarHBondContact O-CB 3.39Å; D531-Y534 PolarHBondContact O-N 2.78Å; D531-Y534 VanDerWaalsContact O-N 3.07Å; Y534-W536 HydrophobicContact CE1-CB 4.2Å
535E80.3Confident76Confident50 Ų50121.8 Ų121.823%0.23458%0.583CS.*  trans-122127.9170.3-81.5177-170.400108.8S533 N537 E540 L541 K544S533-E535 PolarHBondContact O-N 2.81Å; E535-N537 VanDerWaalsContact C-N 3.3Å; E535-E540 WeakPolarHBondContact OE2-CB 3.49Å; E535-E540 WeakPolarHBondContact OE2-CG 3.5Å; E535-L541 HydrophobicContact CB-CD2 4.3Å; E535-K544 WeakPolarHBondContact OE1-CE 3.24Å; E535-K544 IonicContact OE1-NZ 3.91Å; E535-K544 PolarHBondContact OE1-NZ 3.27Å; E535-K544 WeakPolarHBondContact OE2-CD 3.35Å; E535-K544 WeakPolarHBondContact OE2-CE 3.49Å; E535-K544 IonicContact OE2-NZ 3.52Å; E535-K544 PolarHBondContact OE2-NZ 3.05Å
536W80.8Confident77.6Confident213 Ų213121.7 Ų121.781%0.80758%0.576SS**  trans-79.8-14.6177.872.6-88.3000112.8Y534 E538Y534-W536 HydrophobicContact CE1-CB 4.2Å; W536-E538 PolarHBondContact O-N 2.93Å
537N86.8Confident78.7Confident48 Ų48122.4 Ų122.426%0.25757%0.568SS.*  trans-85.3109.2-174.6-174.9-13.6000111.7E535 W539 E540 L541E535-N537 VanDerWaalsContact C-N 3.3Å; N537-W539 VanDerWaalsContact C-N 3.25Å; N537-W539 PolarHBondContact O-N 3.46Å; N537-W539 WeakPolarHBondContact OD1-CB 3.36Å; N537-W539 PolarHBondContact OD1-N 3.22Å; N537-E540 HydrophobicContact CB-CB 3.95Å; N537-E540 WeakPolarHBondContact O-CB 3.32Å; N537-E540 PolarHBondContact O-N 3.12Å; N537-L541 PolarHBondContact O-N 3.5Å; N537-L541 VanDerWaalsContact O-N 3.11Å
538E82.9Confident79.8Confident131 Ų131119.2 Ų119.261%0.61256%0.556SS**Hα-helixtrans-57-34.4179.9-65.6-171.8167.200113.9W536 E540 L541 R542W536-E538 PolarHBondContact O-N 2.93Å; E538-E540 VanDerWaalsContact C-N 3.31Å; E538-E540 PolarHBondContact O-N 2.81Å; E538-L541 PolarHBondContact O-N 3.29Å; E538-R542 WeakPolarHBondContact O-CG 3.43Å; E538-R542 PolarHBondContact O-N 2.78Å
539W82.9Confident80.9Confident167 Ų167116.3 Ų116.363%0.63354%0.544SS*.Hα-helixtrans-72.9-26.7178.8-70107000112.8N537 R543N537-W539 VanDerWaalsContact C-N 3.25Å; N537-W539 PolarHBondContact O-N 3.46Å; N537-W539 WeakPolarHBondContact OD1-CB 3.36Å; N537-W539 PolarHBondContact OD1-N 3.22Å; W539-R543 WeakPolarHBondContact O-CG 3.44Å; W539-R543 PolarHBondContact O-N 3.41Å; W539-R543 VanDerWaalsContact O-N 3.14Å; W539-R543 PolarHBondContact O-NE 3.15Å
540E85.8Confident81.8Confident74 Ų74112.7 Ų112.735%0.34653%0.53SS..Hα-helixtrans-76.6-41.1175.6-145.7163.6-15500110.8E535 N537 E538 R542 R543 K544E535-E540 WeakPolarHBondContact OE2-CB 3.49Å; E535-E540 WeakPolarHBondContact OE2-CG 3.5Å; N537-E540 HydrophobicContact CB-CB 3.95Å; N537-E540 WeakPolarHBondContact O-CB 3.32Å; N537-E540 PolarHBondContact O-N 3.12Å; E538-E540 VanDerWaalsContact C-N 3.31Å; E538-E540 PolarHBondContact O-N 2.81Å; E540-R542 PolarHBondContact O-N 3.35Å; E540-R543 PolarHBondContact O-N 3.48Å; E540-K544 WeakPolarHBondContact O-CG 3.47Å; E540-K544 PolarHBondContact O-N 3.2Å
541L86.3Confident82.4Confident83 Ų83111 Ų11144%0.43552%0.521SS..Hα-helixtrans-58.7-44.3170.7-66.2173.7000112.1E535 N537 E538 K544 A545E535-L541 HydrophobicContact CB-CD2 4.3Å; N537-L541 PolarHBondContact O-N 3.5Å; N537-L541 VanDerWaalsContact O-N 3.11Å; E538-L541 PolarHBondContact O-N 3.29Å; L541-K544 PolarHBondContact O-N 3.18Å; L541-A545 WeakPolarHBondContact O-CB 3.33Å; L541-A545 PolarHBondContact O-N 3.05Å
542R86.4Confident82.5Confident135 Ų135118.2 Ų118.251%0.50954%0.543SS..Hα-helixtrans-62.2-43175.3-73.7176.9-176.7-1671.8112.1E538 E540 A545 I546E538-R542 WeakPolarHBondContact O-CG 3.43Å; E538-R542 PolarHBondContact O-N 2.78Å; E540-R542 PolarHBondContact O-N 3.35Å; R542-A545 PolarHBondContact O-N 2.85Å; R542-I546 VanDerWaalsContact O-CG1 3.3Å; R542-I546 WeakPolarHBondContact O-CG1 3.47Å; R542-I546 PolarHBondContact O-N 3.23Å
543R87.5Confident82.6Confident154 Ų154113.7 Ų113.758%0.58153%0.533SS*.Hα-helixtrans-62.7-41.3175.6-79.3-177.3-74178.52.5112W539 E540 I546 K547W539-R543 WeakPolarHBondContact O-CG 3.44Å; W539-R543 PolarHBondContact O-N 3.41Å; W539-R543 VanDerWaalsContact O-N 3.14Å; W539-R543 PolarHBondContact O-NE 3.15Å; E540-R543 PolarHBondContact O-N 3.48Å; R543-I546 PolarHBondContact O-N 3.23Å; R543-K547 WeakPolarHBondContact O-CB 3.45Å; R543-K547 PolarHBondContact O-N 3.48Å
544K85.1Confident82.9Confident80 Ų80113.8 Ų113.835%0.34853%0.53SS..Hα-helixtrans-63.3-42.7174.5-75.8179.7172.91780112.3E535 E540 L541 K547 L548E535-K544 WeakPolarHBondContact OE1-CE 3.24Å; E535-K544 IonicContact OE1-NZ 3.91Å; E535-K544 PolarHBondContact OE1-NZ 3.27Å; E535-K544 WeakPolarHBondContact OE2-CD 3.35Å; E535-K544 WeakPolarHBondContact OE2-CE 3.49Å; E535-K544 IonicContact OE2-NZ 3.52Å; E535-K544 PolarHBondContact OE2-NZ 3.05Å; E540-K544 WeakPolarHBondContact O-CG 3.47Å; E540-K544 PolarHBondContact O-N 3.2Å; L541-K544 PolarHBondContact O-N 3.18Å; K544-K547 WeakPolarHBondContact O-CB 3.11Å; K544-K547 PolarHBondContact O-N 3.18Å; K544-L548 WeakPolarHBondContact O-CG 3.32Å; K544-L548 PolarHBondContact O-N 3.47Å
545A86.8Confident82Confident57 Ų57112.2 Ų112.247%0.47154%0.538SS..Hα-helixtrans-62.5-44.2176.800000112.1L541 R542 K547 L548 A549L541-A545 WeakPolarHBondContact O-CB 3.33Å; L541-A545 PolarHBondContact O-N 3.05Å; R542-A545 PolarHBondContact O-N 2.85Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 3.1Å; A545-L548 PolarHBondContact O-N 3.46Å; A545-A549 WeakPolarHBondContact O-CB 3.49Å; A545-A549 PolarHBondContact O-N 3.45Å
546I88.1Confident81Confident102 Ų102114.2 Ų114.252%0.52355%0.554SS.*Hα-helixtrans-61.8-42.2174.9-66.9165000110.7R542 R543 L548 A549 N550R542-I546 VanDerWaalsContact O-CG1 3.3Å; R542-I546 WeakPolarHBondContact O-CG1 3.47Å; R542-I546 PolarHBondContact O-N 3.23Å; R543-I546 PolarHBondContact O-N 3.23Å; I546-L548 PolarHBondContact O-N 2.94Å; I546-A549 PolarHBondContact O-N 3.45Å; I546-N550 PolarHBondContact O-N 3.12Å
547K86.3Confident79.7Confident146 Ų146113.2 Ų113.264%0.63556%0.558SS**Hα-helixtrans-60.7-43.4176.2-171.5177.6-179.7-179.30111.9R543 K544 A545 N550 I551R543-K547 WeakPolarHBondContact O-CB 3.45Å; R543-K547 PolarHBondContact O-N 3.48Å; K544-K547 WeakPolarHBondContact O-CB 3.11Å; K544-K547 PolarHBondContact O-N 3.18Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 3.1Å; K547-N550 PolarHBondContact O-N 3.26Å; K547-I551 HydrophobicContact CG-CD1 4.21Å; K547-I551 WeakPolarHBondContact O-CD1 3.33Å; K547-I551 VanDerWaalsContact O-CG1 3.24Å; K547-I551 WeakPolarHBondContact O-CG1 3.49Å; K547-I551 PolarHBondContact O-N 3.08Å
548L84.6Confident78.1Confident115 Ų115116.1 Ų116.160%0.60258%0.582SS**Hα-helixtrans-66.7-38.9176.5-73.1169.8000112.6K544 A545 I546 I551 R552K544-L548 WeakPolarHBondContact O-CG 3.32Å; K544-L548 PolarHBondContact O-N 3.47Å; A545-L548 PolarHBondContact O-N 3.46Å; I546-L548 PolarHBondContact O-N 2.94Å; L548-I551 PolarHBondContact O-N 3.42Å; L548-R552 PolarHBondContact O-N 2.92Å; L548-R552 VanDerWaalsContact O-N 3.08Å
549A86.8Confident76.7Confident52 Ų52116.8 Ų116.843%0.4359%0.587SS.*Hα-helixtrans-63.1-42.8174.300000111.6A545 I546 I551 R552 T553A545-A549 WeakPolarHBondContact O-CB 3.49Å; A545-A549 PolarHBondContact O-N 3.45Å; I546-A549 PolarHBondContact O-N 3.45Å; A549-I551 PolarHBondContact O-N 2.61Å; A549-R552 WeakPolarHBondContact O-CB 3.14Å; A549-R552 PolarHBondContact O-N 3.35Å; A549-T553 PolarHBondContact O-N 3.21Å
550N84.1Confident75.2Confident94 Ų94116 Ų11650%0.50359%0.59SS.*Hα-helixtrans-62.5-41.9174.7-73.7-8.7000111.6I546 K547 R552 T553 T554I546-N550 PolarHBondContact O-N 3.12Å; K547-N550 PolarHBondContact O-N 3.26Å; N550-R552 VanDerWaalsContact C-N 3.27Å; N550-R552 PolarHBondContact O-N 3Å; N550-T553 PolarHBondContact O-N 2.9Å; N550-T553 PolarHBondContact O-OG1 2.52Å; N550-T554 WeakPolarHBondContact O-CG2 3.45Å; N550-T554 PolarHBondContact O-N 2.69Å
551I79.4Confident73.9Confident92 Ų92115.8 Ų115.847%0.47259%0.594SS.*Hα-helixtrans-61.4-35176.2-68.6162.5000111.7K547 L548 A549 T553 T554K547-I551 HydrophobicContact CG-CD1 4.21Å; K547-I551 WeakPolarHBondContact O-CD1 3.33Å; K547-I551 VanDerWaalsContact O-CG1 3.24Å; K547-I551 WeakPolarHBondContact O-CG1 3.49Å; K547-I551 PolarHBondContact O-N 3.08Å; L548-I551 PolarHBondContact O-N 3.42Å; A549-I551 PolarHBondContact O-N 2.61Å; I551-T553 VanDerWaalsContact C-N 3.26Å; I551-T553 PolarHBondContact O-N 3.4Å; I551-T554 WeakPolarHBondContact CA-OG1 3.49Å; I551-T554 PolarHBondContact O-N 2.79Å; I551-T554 PolarHBondContact O-OG1 3.43Å
552R72.2Confident72.1Confident229 Ų229119.2 Ų119.286%0.86461%0.613SS**Hα-helixtrans-63.9-30.9173.8-82.3-178.5157.8-177.3-4.9113.4L548 A549 N550 T554L548-R552 PolarHBondContact O-N 2.92Å; L548-R552 VanDerWaalsContact O-N 3.08Å; A549-R552 WeakPolarHBondContact O-CB 3.14Å; A549-R552 PolarHBondContact O-N 3.35Å; N550-R552 VanDerWaalsContact C-N 3.27Å; N550-R552 PolarHBondContact O-N 3Å; R552-T554 VanDerWaalsContact C-N 3.35Å
553T73.4Confident70.5Confident112 Ų112120.5 Ų120.569%0.68763%0.629SS**Hα-helixtrans-84.6-9.8177.557.50000113.5A549 N550 I551A549-T553 PolarHBondContact O-N 3.21Å; N550-T553 PolarHBondContact O-N 2.9Å; N550-T553 PolarHBondContact O-OG1 2.52Å; I551-T553 VanDerWaalsContact C-N 3.26Å; I551-T553 PolarHBondContact O-N 3.4Å
554T73.5Confident69Low81 Ų81114.7 Ų114.750%0.49761%0.612SS.*SBendtrans-86.5124.1176.755.60000111.3N550 I551 R552 T556N550-T554 WeakPolarHBondContact O-CG2 3.45Å; N550-T554 PolarHBondContact O-N 2.69Å; I551-T554 WeakPolarHBondContact CA-OG1 3.49Å; I551-T554 PolarHBondContact O-N 2.79Å; I551-T554 PolarHBondContact O-OG1 3.43Å; R552-T554 VanDerWaalsContact C-N 3.35Å; T554-T556 PolarHBondContact O-N 2.84Å
555V61.3Low67.4Low141 Ų141117.3 Ų117.386%0.85563%0.625SS**PPolyproline II helixtrans-78.5116.3172.8-179.90000108.5
556T60.1Low65.5Low93 Ų93122.6 Ų122.657%0.57164%0.642SS**PPolyproline II helixtrans-87.2130.5175.150.20000109.9T554 S558T554-T556 PolarHBondContact O-N 2.84Å; T556-S558 VanDerWaalsContact C-N 3.31Å; T556-S558 PolarHBondContact O-N 3.45Å
557H53.2Low63.8Low191 Ų191128.9 Ų128.988%0.88466%0.659SS**SBendtrans-83.5-3.5-175.8-141.6-73.1000113.9
558S53.3Low62.1Low109 Ų109132.6 Ų132.676%0.76267%0.669SS**  trans-171.1141.8164.1710000108.4T556T556-S558 VanDerWaalsContact C-N 3.31Å; T556-S558 PolarHBondContact O-N 3.45Å
559M52.8Low60.4Low146 Ų146135 Ų13572%0.71968%0.683SS**  trans-148.4120.7165.8-158.1176.5176.100111.2
560Q52.1Low58.2Low150 Ų150139.9 Ų139.970%0.70170%0.701SS**  trans-76.2113.8158.3-160.2174.45.800106.5S564Q560-S564 WeakPolarHBondContact CA-OG 3.43Å; Q560-S564 WeakPolarHBondContact CG-OG 3.25Å; Q560-S564 PolarHBondContact NE2-O 3.43Å
561T58.2Low56.5Low69 Ų69142.3 Ų142.342%0.42372%0.719SS.*  trans-81.7162.1176.256.70000110.8L563 S564T561-L563 PolarHBondContact O-N 3.4Å; T561-L563 VanDerWaalsContact O-N 3.1Å; T561-S564 PolarHBondContact N-OG 3.3Å; T561-S564 WeakPolarHBondContact O-CA 3.5Å; T561-S564 PolarHBondContact O-N 2.99Å; T561-S564 PolarHBondContact O-OG 3Å
562N50.1Low54.8Low156 Ų156142.7 Ų142.783%0.83473%0.73SS**G310 helixtrans-56.2-27.4174.4-127.3-1.2000112.5S564N562-S564 VanDerWaalsContact C-N 3.29Å; N562-S564 PolarHBondContact O-N 3.41Å
563L52.8Low53.6Low162 Ų162140 Ų14085%0.84873%0.728SS**G310 helixtrans-72.7-17.8173.5-68.7169.1000113.8T561T561-L563 PolarHBondContact O-N 3.4Å; T561-L563 VanDerWaalsContact O-N 3.1Å
564S54.7Low52Low32 Ų32140.9 Ų140.922%0.22473%0.733CS.*G310 helixtrans-101.32.5-17967.40000114.1Q560 T561 N562 M566Q560-S564 WeakPolarHBondContact CA-OG 3.43Å; Q560-S564 WeakPolarHBondContact CG-OG 3.25Å; Q560-S564 PolarHBondContact NE2-O 3.43Å; T561-S564 PolarHBondContact N-OG 3.3Å; T561-S564 WeakPolarHBondContact O-CA 3.5Å; T561-S564 PolarHBondContact O-N 2.99Å; T561-S564 PolarHBondContact O-OG 3Å; N562-S564 VanDerWaalsContact C-N 3.29Å; N562-S564 PolarHBondContact O-N 3.41Å; S564-M566 VanDerWaalsContact C-N 3.25Å; S564-M566 PolarHBondContact O-N 2.99Å
565H50.9Low50.6Low135 Ų135148.1 Ų148.163%0.62575%0.751SS**THydrogen-bonded Turntrans-72.3-15.8176.7-167.6-66.8000113
566M47Very low49.8Very low167 Ų167148.8 Ų148.882%0.82375%0.749SS**THydrogen-bonded Turntrans-102.88.1-173.2-73.5-81.5174.200114.8S564 R568S564-M566 VanDerWaalsContact C-N 3.25Å; S564-M566 PolarHBondContact O-N 2.99Å; M566-R568 VanDerWaalsContact C-N 3.29Å; M566-R568 PolarHBondContact O-N 2.97Å
567R52.8Low49.3Very low234 Ų234150.2 Ų150.288%0.88376%0.76SS**  trans-89.132.3-178.4-71.1-167.1178.5178.8-0.3114.7
568R50.4Low49Very low225 Ų225150.6 Ų150.685%0.84976%0.759SS**SBendtrans-121.7119.3169.9-130.6178.1-174.9172.20.9109M566 N570M566-R568 VanDerWaalsContact C-N 3.29Å; M566-R568 PolarHBondContact O-N 2.97Å; R568-N570 PolarHBondContact O-N 3.3Å
569D49.3Very low48.6Very low166 Ų166154.6 Ų154.689%0.88877%0.766SS**  trans-55101.8173.9-74.2-39.9000109.8V571D569-V571 PolarHBondContact O-N 3.49Å
570N41.5Very low48.3Very low153 Ų153152 Ų15282%0.81877%0.767SS**  trans-83.7109.7165.5-96.3-14.3000107.4R568 S572R568-N570 PolarHBondContact O-N 3.3Å; N570-S572 PolarHBondContact O-N 3.4Å; N570-S572 VanDerWaalsContact O-N 3.08Å
571V47.1Very low48.2Very low145 Ų145151.8 Ų151.888%0.87978%0.776SS**  trans-58.6110162.3-175.50000107D569 Q573D569-V571 PolarHBondContact O-N 3.49Å; V571-Q573 PolarHBondContact O-N 3.21Å
572S44.8Very low47.8Very low101 Ų101153.2 Ų153.271%0.70679%0.789SS**  trans-73.9112.8-174.732.50000111.2N570 T574N570-S572 PolarHBondContact O-N 3.4Å; N570-S572 VanDerWaalsContact O-N 3.08Å; S572-T574 PolarHBondContact O-N 2.84Å
573Q46.3Very low47.6Very low173 Ų173155.2 Ų155.281%0.80879%0.793SS**  trans-76.5106.9153.1-81.7-179.1-16.800108V571V571-Q573 PolarHBondContact O-N 3.21Å
574T39.9Very low47.3Very low129 Ų129153.7 Ų153.779%0.79179%0.791SS**PPolyproline II helixtrans-71.2120.9169.930.80000110.5S572S572-T574 PolarHBondContact O-N 2.84Å
575W43.8Very low47Very low233 Ų233161.5 Ų161.588%0.88383%0.826SS**PPolyproline II helixtrans-92.9120.3160.5-7290.1000108.3
576L44.9Very low46.8Very low156 Ų156166.7 Ų166.782%0.81784%0.84SS**PPolyproline II helixtrans-71.6141.8172.9-72.5166.9000110K578L576-K578 PolarHBondContact O-N 2.9Å
577P50.4Low46.8Very low123 Ų123168.2 Ų168.280%0.79985%0.845SS**PPolyproline II helixtrans-59.6134172.6-17.829.3000110.6
578K46.5Very low46.6Very low198 Ų198162.8 Ų162.886%0.86184%0.843SS**PPolyproline II helixtrans-72.4140.5169-89.7-177.3174179.90109.9L576 A580L576-K578 PolarHBondContact O-N 2.9Å; K578-A580 PolarHBondContact O-N 3.34Å
579E43.7Very low46.9Very low194 Ų194155.7 Ų155.791%0.90784%0.84SS**PPolyproline II helixtrans-62.8117.8172-66.6-169.8165.700110.4
580A47.7Very low47.2Very low90 Ų90153.3 Ų153.374%0.74484%0.837SS**  trans-101.9115.6169.500000107.9K578 S582K578-A580 PolarHBondContact O-N 3.34Å; A580-S582 PolarHBondContact O-N 2.94Å
581V48.8Very low48.2Very low147 Ų147152.9 Ų152.989%0.89183%0.834SS**  trans-72.5118.2172.6-1680000107.5
582S50Low49.2Very low99 Ų99151 Ų15169%0.69282%0.823SS**  trans-95.2127.4173.939.20000109.5A580 T584A580-S582 PolarHBondContact O-N 2.94Å; S582-T584 PolarHBondContact O-N 3.48Å
583Q45.8Very low50.4Low198 Ų198149 Ų14993%0.92581%0.808SS**  trans-74.5113.4164.5-91.2-178.2-19.300108.1
584T47.4Very low51.6Low129 Ų129145.9 Ų145.979%0.79180%0.797SS**  trans-78.3129.9168.242.10000109.3S582S582-T584 PolarHBondContact O-N 3.48Å
585M47.7Very low53.2Low197 Ų197144.7 Ų144.797%0.9779%0.791SS**  trans-64.5136.4171.3-80-172.7175.100109.6
586R48.2Very low54.8Low243 Ų243139.4 Ų139.492%0.91778%0.776SS**  trans-97.2111.2167.3-151.7179.9-166.5-179.92.8106.8S588R586-S588 PolarHBondContact O-N 3.28Å
587E45Very low56.4Low200 Ų200135.4 Ų135.494%0.93576%0.758SS**  trans-80.2111.3177.3-155.8172.1-153.800108.4
588S50Low57.7Low119 Ų119135.6 Ų135.683%0.83274%0.744SS**  trans-110.696.4172.162.10000108.4R586R586-S588 PolarHBondContact O-N 3.28Å
589G56Low59.3Low77 Ų77130 Ų13079%0.79472%0.723SS**  trans-94.2125.7169.600000110.6
590S55.8Low60.7Low116 Ų116126.1 Ų126.181%0.81171%0.705SS**  trans-84.7113.7166.4-68.60000108.5V592S590-V592 PolarHBondContact O-N 3.33Å
591N63Low61.8Low144 Ų144123.1 Ų123.177%0.7768%0.682SS**  trans-72.3115.1175.2-127.9-2.9000108.2V619N591-V619 HydrophobicContact CB-CG1 4.15Å
592V67.6Low62.7Low105 Ų105121.8 Ų121.864%0.63667%0.669SS**PPolyproline II helixtrans-94.9143.7175-68.90000109.9S590 N594S590-V592 PolarHBondContact O-N 3.33Å; V592-N594 PolarHBondContact O-N 3.11Å
593P69.6Low63.5Low59 Ų59128.7 Ų128.738%0.38368%0.68SS.*PPolyproline II helixtrans-64.3133.4178.524.6-30.7000110.4P595 T616 R617 V619P593-P595 WeakPolarHBondContact O-CD 3.43Å; P593-T616 HydrophobicContact CB-CG2 4Å; P593-T616 HydrophobicContact CG-CG2 4.44Å; P593-R617 WeakPolarHBondContact CB-O 3.2Å; P593-V619 HydrophobicContact CB-CG2 3.88Å; P593-V619 HydrophobicContact CG-CG2 4.3Å
594N71.3Confident64.3Low108 Ų108123.1 Ų123.158%0.57868%0.676SS**PPolyproline II helixtrans-71.6118.7179.4-80-8.4000110V592 Q596V592-N594 PolarHBondContact O-N 3.11Å; N594-Q596 PolarHBondContact O-N 3.28Å
595P74Confident65.1Low104 Ų104124.7 Ų124.768%0.67567%0.674SS**PPolyproline II helixtrans-67.6125.1-17925.3-31.5000111P593 T616P593-P595 WeakPolarHBondContact O-CD 3.43Å; P595-T616 VanDerWaalsContact CA-OG1 3.23Å; P595-T616 WeakPolarHBondContact CA-OG1 3.44Å
596Q76.7Confident65.7Low122 Ų122127.3 Ų127.357%0.5767%0.673SS**  trans-121.6119.8175.8-76.7-167-18.400109.3N594 L615 T616N594-Q596 PolarHBondContact O-N 3.28Å; Q596-L615 HydrophobicContact CB-CB 4.35Å; Q596-L615 CarbonylContact O-C 3.54Å; Q596-L615 WeakPolarHBondContact O-CA 3.39Å; Q596-L615 PolarHBondContact O-N 3.27Å; Q596-T616 PolarHBondContact N-OG1 3.28Å; Q596-T616 VanDerWaalsContact N-OG1 3.14Å; Q596-T616 PolarHBondContact O-N 3.21Å
597T78.2Confident66.5Low71 Ų71123.6 Ų123.644%0.43667%0.672SS.*EExtended strand (participates in β ladder)trans-120.1129.7-179.5-60000110.8K612 V613T597-K612 HydrophobicContact CG2-CD 4.09Å; T597-K612 HydrophobicContact CG2-CG 3.7Å; T597-V613 WeakPolarHBondContact CG2-O 3.45Å
598Y79.1Confident67.4Low127 Ų127116 Ų11650%0.49864%0.644SS.*EExtended strand (participates in β ladder)trans-103.2127.6174.7-177.1-104.4000109.6H600 V613 L615Y598-H600 HydrophobicContact CD1-CB 4.46Å; Y598-H600 HydrophobicContact CE1-CB 3.89Å; Y598-V613 PolarHBondContact N-O 3.15Å; Y598-V613 PolarHBondContact O-N 2.92Å; Y598-L615 HydrophobicContact CG-CD1 4.47Å
599L79.2Confident68.1Low81 Ų81116.7 Ų116.742%0.42464%0.643SS.*EExtended strand (participates in β ladder)trans-112.8117.5178.7-69.3165.9000108.6L602 V610 K612L599-L602 HydrophobicContact CB-CD1 3.79Å; L599-L602 HydrophobicContact CD1-CD1 4.37Å; L599-V610 HydrophobicContact CD2-CG1 3.86Å; L599-K612 HydrophobicContact CD2-CB 3.54Å; L599-K612 HydrophobicContact CD2-CD 4.21Å; L599-K612 HydrophobicContact CD2-CG 3.62Å
600H72.9Confident68.9Low113 Ų113116.8 Ų116.852%0.52363%0.628SS.*EExtended strand (participates in β ladder)trans-103.9148.3177.1-173.873000111.1Y598 L611Y598-H600 HydrophobicContact CD1-CB 4.46Å; Y598-H600 HydrophobicContact CE1-CB 3.89Å; H600-L611 PolarHBondContact N-O 3.25Å; H600-L611 PolarHBondContact O-N 2.92Å
601G71Confident69.7Low27 Ų27116.6 Ų116.628%0.27862%0.617SS.*  trans97.35176.100000116R603G601-R603 VanDerWaalsContact C-N 3.31Å; G601-R603 PolarHBondContact O-N 2.87Å
602L69.2Low70.6Confident118 Ų118116.9 Ų116.962%0.61861%0.612SS**  trans-79.50.1-176.1-69171.5000115.4L599 V610L599-L602 HydrophobicContact CB-CD1 3.79Å; L599-L602 HydrophobicContact CD1-CD1 4.37Å; L602-V610 HydrophobicContact CD2-CG1 4.3Å; L602-V610 HydrophobicContact CD2-CG2 3.87Å
603R66.6Low71.1Confident245 Ų245115.1 Ų115.193%0.92560%0.601SS**SBendtrans-127.6114179.4-67.6-169.1-173.5-151.52.7111.7G601G601-R603 VanDerWaalsContact C-N 3.31Å; G601-R603 PolarHBondContact O-N 2.87Å
604G62.6Low71.5Confident81 Ų81117.5 Ų117.584%0.83561%0.61SS**SBendtrans114.5-8.8151.500000118.9
605Q63.2Low71.9Confident161 Ų161116.6 Ų116.675%0.75261%0.605SS**  trans-137134.4176.2-72.4-176.5-2100110.9D607 A608Q605-D607 VanDerWaalsContact C-N 3.29Å; Q605-D607 PolarHBondContact O-N 3.49Å; Q605-A608 HydrophobicContact CB-CB 4.33Å
606R59.7Low72.2Confident252 Ų252113.8 Ų113.895%0.95159%0.586SS**THydrogen-bonded Turntrans-71.8-15.6-169.6-79.3-177.8174.3171.8-1.6114.8
607D65.1Low72.1Confident165 Ų165116.7 Ų116.788%0.88259%0.592SS**THydrogen-bonded Turntrans-128.323.4-176.7-61.7-44.4000114Q605Q605-D607 VanDerWaalsContact C-N 3.29Å; Q605-D607 PolarHBondContact O-N 3.49Å
608A63.9Low71.8Confident42 Ų42116.7 Ų116.735%0.34759%0.593SS.*  trans-77130.2178.400000111.7Q605 V610Q605-A608 HydrophobicContact CB-CB 4.33Å; A608-V610 PolarHBondContact O-N 2.91Å
609T65.6Low71.3Confident132 Ų132113.5 Ų113.581%0.8159%0.587SS**  trans-67.2120.6175.612.50000110.2L611T609-L611 PolarHBondContact O-N 3.27Å
610V73.2Confident70.8Confident79 Ų79118.7 Ų118.748%0.47961%0.609SS.*  trans-73.7115.7179.5-179.90000109.5L599 L602 A608L599-V610 HydrophobicContact CD2-CG1 3.86Å; L602-V610 HydrophobicContact CD2-CG1 4.3Å; L602-V610 HydrophobicContact CD2-CG2 3.87Å; A608-V610 PolarHBondContact O-N 2.91Å
611L72.5Confident70.2Confident113 Ų113119.8 Ų119.859%0.59261%0.614SS**EExtended strand (participates in β ladder)trans-91.4115.2174.6-102.7149.4000109.3H600 T609H600-L611 PolarHBondContact N-O 3.25Å; H600-L611 PolarHBondContact O-N 2.92Å; T609-L611 PolarHBondContact O-N 3.27Å
612K80.8Confident69.4Low150 Ų150129.7 Ų129.765%0.65265%0.65SS**EExtended strand (participates in β ladder)trans-96.8117.5174.5-175.1178.5178.1-175.20109.4T597 L599T597-K612 HydrophobicContact CG2-CD 4.09Å; T597-K612 HydrophobicContact CG2-CG 3.7Å; L599-K612 HydrophobicContact CD2-CB 3.54Å; L599-K612 HydrophobicContact CD2-CD 4.21Å; L599-K612 HydrophobicContact CD2-CG 3.62Å
613V78.9Confident69.5Low67 Ų67130.3 Ų130.341%0.40665%0.651SS.*EExtended strand (participates in β ladder)trans-114.4127.9176-175.70000108.8T597 Y598 L615T597-V613 WeakPolarHBondContact CG2-O 3.45Å; Y598-V613 PolarHBondContact N-O 3.15Å; Y598-V613 PolarHBondContact O-N 2.92Å; V613-L615 HydrophobicContact CG1-CD2 4.1Å
614D78.6Confident69.6Low109 Ų109124.3 Ų124.358%0.58364%0.637SS**EExtended strand (participates in β ladder)trans-84.7123.6174.1-162-13.7000110T616D614-T616 VanDerWaalsContact OD1-CB 3.25Å; D614-T616 WeakPolarHBondContact OD1-CB 3.48Å; D614-T616 PolarHBondContact OD1-N 3.05Å; D614-T616 PolarHBondContact OD1-OG1 2.77Å
615L79.4Confident70Confident89 Ų89126.7 Ų126.747%0.46663%0.626SS.*  trans-113.715.4-179.8-60.5179.1000111.5Q596 Y598 V613 R617Q596-L615 HydrophobicContact CB-CB 4.35Å; Q596-L615 CarbonylContact O-C 3.54Å; Q596-L615 WeakPolarHBondContact O-CA 3.39Å; Q596-L615 PolarHBondContact O-N 3.27Å; Y598-L615 HydrophobicContact CG-CD1 4.47Å; V613-L615 HydrophobicContact CG1-CD2 4.1Å; L615-R617 PolarHBondContact O-N 2.89Å
616T79.4Confident70.4Confident46 Ų46124.6 Ų124.628%0.28262%0.618SS.*PPolyproline II helixtrans-60.1118.1179.5-55.40000110.4P593 P595 Q596 D614P593-T616 HydrophobicContact CB-CG2 4Å; P593-T616 HydrophobicContact CG-CG2 4.44Å; P595-T616 VanDerWaalsContact CA-OG1 3.23Å; P595-T616 WeakPolarHBondContact CA-OG1 3.44Å; Q596-T616 PolarHBondContact N-OG1 3.28Å; Q596-T616 VanDerWaalsContact N-OG1 3.14Å; Q596-T616 PolarHBondContact O-N 3.21Å; D614-T616 VanDerWaalsContact OD1-CB 3.25Å; D614-T616 WeakPolarHBondContact OD1-CB 3.48Å; D614-T616 PolarHBondContact OD1-N 3.05Å; D614-T616 PolarHBondContact OD1-OG1 2.77Å
617R75.1Confident71.1Confident182 Ų182116.7 Ų116.769%0.68760%0.598SS**PPolyproline II helixtrans-93142.2178.2-63-172-174.7179.8-1.7111.2P593 L615P593-R617 WeakPolarHBondContact CB-O 3.2Å; L615-R617 PolarHBondContact O-N 2.89Å
618P72.3Confident71.5Confident72 Ų72113.5 Ų113.547%0.46858%0.579SS.*PPolyproline II helixtrans-63.9151.1173.225.5-30.4000111.5E620 E621P618-E620 PolarHBondContact O-N 2.89Å; P618-E620 VanDerWaalsContact O-N 3.16Å; P618-E621 HydrophobicContact CG-CG 4.36Å; P618-E621 PolarHBondContact O-N 3.47Å
619V68Low72Confident59 Ų59118.6 Ų118.636%0.35860%0.595SS.*G310 helixtrans-63.5-23-171.6179.40000112.8N591 P593 E621N591-V619 HydrophobicContact CB-CG1 4.15Å; P593-V619 HydrophobicContact CB-CG2 3.88Å; P593-V619 HydrophobicContact CG-CG2 4.3Å; V619-E621 VanDerWaalsContact C-N 3.31Å; V619-E621 PolarHBondContact O-N 2.74Å
620E68.5Low72.5Confident191 Ų191117.5 Ų117.589%0.89358%0.579SS**G310 helixtrans-74.9-14.3-176.2-61.1-179.4-179.500114.2P618P618-E620 PolarHBondContact O-N 2.89Å; P618-E620 VanDerWaalsContact O-N 3.16Å
621E60.6Low72.4Confident136 Ų136120.8 Ų120.864%0.63659%0.587SS**G310 helixtrans-95.611-177.8-69.7-174.6159.600114.2P618 V619P618-E621 HydrophobicContact CG-CG 4.36Å; P618-E621 PolarHBondContact O-N 3.47Å; V619-E621 VanDerWaalsContact C-N 3.31Å; V619-E621 PolarHBondContact O-N 2.74Å
622K55.2Low72.4Confident235 Ų235121.5 Ų121.5100%1.02259%0.586SS**  trans-101.10-177.5-99.2-170.5179-178.90115

Retrieved 622 of 622 residues in 129.8 ms (Link to these results)

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