A0A087Y7F0_POEFO Loading...

Probable proton-coupled zinc antiporter SLC30A3

Electroneutral proton-coupled antiporter concentrating zinc ions into a variety of intracellular organelles including endosomes, zymogen granules and mitochondria. Thereby, plays a crucial role in cellular zinc homeostasis to confer upon cells protection against its potential cytotoxicity. Regulates the zinc concentration of milk, through the transport of zinc ions into secretory vesicles of mammary cells. By concentrating zinc ions into lysosomes participates to lysosomal-mediated cell death during early mammary gland involution. Probable proton-coupled zinc ion antiporter mediating the import of zinc from cytoplasm into synaptic vesicles and participating to cellular zinc ion homeostasis in the brain.

AlphaFold DB , UniProt , Accession A0A087Y7F0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M39.5Very low36Very low250 Ų250160.3 Ų160.3100%1.23286%0.862SS**  095.70-70.1167.776.200107.4
2S33.8Very low36.3Very low124 Ų124150.8 Ų150.887%0.86783%0.83SS**  trans-132.2102.8171.3-154.50000105.7A4S2-A4 PolarHBondContact O-N 2.78Å
3G33.3Very low37.2Very low74 Ų74147.8 Ų147.876%0.76384%0.838SS**  trans-72.5118.3-179.300000109.1M5G3-M5 PolarHBondContact O-N 3.23Å; G3-M5 VanDerWaalsContact O-N 3.13Å
4A39.1Very low38.5Very low97 Ų97145.7 Ų145.780%0.80282%0.817SS**  trans-66108.9165.300000107.6S2 E6S2-A4 PolarHBondContact O-N 2.78Å; A4-E6 PolarHBondContact O-N 3.38Å
5M36Very low39.9Very low177 Ų177142.9 Ų142.987%0.87281%0.809SS**  trans-61.4103.2160.6-77172.681.200106.8G3 L7G3-M5 PolarHBondContact O-N 3.23Å; G3-M5 VanDerWaalsContact O-N 3.13Å; M5-L7 VanDerWaalsContact C-N 3.32Å; M5-L7 PolarHBondContact O-N 3.48Å
6E36.8Very low41.4Very low189 Ų189142.9 Ų142.988%0.88380%0.8SS**  trans-59.7101.6160.5-83.8-172.4130.100107.4A4 K8A4-E6 PolarHBondContact O-N 3.38Å; E6-K8 VanDerWaalsContact C-N 3.33Å; E6-K8 PolarHBondContact O-N 3.02Å
7L34.8Very low42.3Very low156 Ų156140.1 Ų140.182%0.81778%0.782SS**  trans-63.8100.8165.4-125.2104.1000106.3M5 Q9M5-L7 VanDerWaalsContact C-N 3.32Å; M5-L7 PolarHBondContact O-N 3.48Å; L7-Q9 PolarHBondContact O-N 2.57Å
8K33.3Very low42.5Very low199 Ų199137.6 Ų137.687%0.86577%0.773SS**  trans-61.392.5167-151.1179.4-170.5-1770106.3E6 H10E6-K8 VanDerWaalsContact C-N 3.33Å; E6-K8 PolarHBondContact O-N 3.02Å; K8-H10 PolarHBondContact O-N 3.31Å
9Q35.8Very low42.6Very low168 Ų168140 Ų14079%0.78577%0.774SS**  trans-61.2107-178-161.2169.412.500107.1L7 I11L7-Q9 PolarHBondContact O-N 2.57Å; Q9-I11 VanDerWaalsContact C-N 3.32Å; Q9-I11 PolarHBondContact O-N 3.12Å
10H34.5Very low42.7Very low184 Ų184138.4 Ų138.485%0.85277%0.769SS**  trans-58.1101.4166.1-103.7-94.6000106.2K8 G12K8-H10 PolarHBondContact O-N 3.31Å; H10-G12 PolarHBondContact O-N 3.41Å
11I39.7Very low42.9Very low145 Ų145137.1 Ų137.174%0.74476%0.76SS**  trans-6595.2168.4-60.9170.8000104.7Q9Q9-I11 VanDerWaalsContact C-N 3.32Å; Q9-I11 PolarHBondContact O-N 3.12Å
12G39.2Very low43.2Very low47 Ų47130.1 Ų130.149%0.48573%0.731SS.*  trans-56.6143175.800000109.9H10 H14H10-G12 PolarHBondContact O-N 3.41Å; G12-H14 VanDerWaalsContact C-N 3.3Å; G12-H14 PolarHBondContact O-N 2.63Å; G12-H14 PolarHBondContact O-ND1 3.49Å
13A47.8Very low43.7Very low112 Ų112126.7 Ų126.793%0.92672%0.715SS**  trans-60.195168.200000108.2
14H55.4Low44.6Very low118 Ų118129.4 Ų129.455%0.54671%0.708SS.*  trans-94.4173.5167.754.6-70.8000107.7G12 H16G12-H14 VanDerWaalsContact C-N 3.3Å; G12-H14 PolarHBondContact O-N 2.63Å; G12-H14 PolarHBondContact O-ND1 3.49Å; H14-H16 AromaticContact CD2-CD2 3.53Å; H14-H16 AromaticContact NE2-CD2 3.72Å; H14-H16 PolarHBondContact O-N 3.22Å
15C59.4Low45.5Very low104 Ų104127.1 Ų127.170%0.70368%0.681SS**SBendtrans-56.810.5-166.6-50.40000117.7
16H64.9Low46.7Very low142 Ų142122.7 Ų122.766%0.65767%0.667SS**SBendtrans-107.9120.4172.7-56.6-51000109.7H14H14-H16 AromaticContact CD2-CD2 3.53Å; H14-H16 AromaticContact NE2-CD2 3.72Å; H14-H16 PolarHBondContact O-N 3.22Å
17L55.7Low48.1Very low95 Ų95115.3 Ų115.350%0.49764%0.642SS.*  trans-58.5149.8172-136.279.1000110.1K19 L21L17-K19 PolarHBondContact O-N 3.22Å; L17-L21 HydrophobicContact CD2-CD1 4.01Å
18P47Very low49.8Very low96 Ų96111.6 Ų111.662%0.62362%0.623SS**  trans-55.7141.2177-22.934.4000111.5T20P18-T20 PolarHBondContact O-N 3.08Å; P18-T20 PolarHBondContact O-OG1 3.27Å
19K44.3Very low51.6Low183 Ų183103.7 Ų103.780%0.79659%0.589SS**THydrogen-bonded Turntrans-50.92.3-176.7-92.4176.7174.9173.80117.6L17 L21 V22 G23L17-K19 PolarHBondContact O-N 3.22Å; K19-L21 PolarHBondContact O-N 3.14Å; K19-V22 PolarHBondContact O-N 3.19Å; K19-G23 PolarHBondContact O-N 3.48Å
20T43.4Very low53.6Low108 Ų108101.5 Ų101.566%0.66358%0.582SS**Hα-helixtrans-64.1-35.2-173.544.10000113.1P18P18-T20 PolarHBondContact O-N 3.08Å; P18-T20 PolarHBondContact O-OG1 3.27Å
21L47.2Very low55.7Low111 Ų11197.2 Ų97.258%0.58157%0.565SS**Hα-helixtrans-76.2-25.1176.1-67169000113.7L17 K19L17-L21 HydrophobicContact CD2-CD1 4.01Å; K19-L21 PolarHBondContact O-N 3.14Å
22V46.8Very low57.6Low104 Ų10490.4 Ų90.463%0.6353%0.53SS*.Hα-helixtrans-80.3-24.5-178-1780000111.9K19K19-V22 PolarHBondContact O-N 3.19Å
23G44.4Very low59.7Low51 Ų5193.2 Ų93.253%0.52653%0.529SS..Hα-helixtrans-69.1-35.2176.400000113.7K19K19-G23 PolarHBondContact O-N 3.48Å
24E51.4Low61.5Low131 Ų13194.6 Ų94.661%0.61251%0.514SS*.Hα-helixtrans-69.5-42.6179-71.6-179.5124.100111.8S26 G27 D28E24-S26 VanDerWaalsContact C-N 3.25Å; E24-S26 PolarHBondContact O-N 3.38Å; E24-G27 PolarHBondContact O-N 3.26Å; E24-G27 VanDerWaalsContact O-N 3.07Å; E24-D28 PolarHBondContact O-N 3.42Å; E24-D28 VanDerWaalsContact O-N 3.11Å
25E57.1Low62.8Low49 Ų4990.5 Ų90.523%0.22949%0.494CS..Hα-helixtrans-57.4-35.2177.4-104.4-146.9-172.900113.5K29 Q297 Q330E25-K29 WeakPolarHBondContact O-CB 3.5Å; E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.36Å; E25-K29 VanDerWaalsContact O-N 3.16Å; E25-K29 IonicContact OE2-NZ 3Å; E25-K29 PolarHBondContact OE2-NZ 2.96Å; E25-Q297 PolarHBondContact OE2-NE2 3.29Å; E25-Q330 PolarHBondContact OE1-NE2 3.46Å
26S61.1Low64Low84 Ų8485.5 Ų85.559%0.58746%0.461SS*.Hα-helixtrans-70.7-37.3178.9-173.10000111.9E24 L30E24-S26 VanDerWaalsContact C-N 3.25Å; E24-S26 PolarHBondContact O-N 3.38Å; S26-L30 PolarHBondContact O-N 3.47Å; S26-L30 VanDerWaalsContact O-N 3.12Å
27G66.8Low65.1Low35 Ų3586.6 Ų86.636%0.36146%0.46SS..Hα-helixtrans-64.3-46.1175.100000112E24 K29 L30 L31E24-G27 PolarHBondContact O-N 3.26Å; E24-G27 VanDerWaalsContact O-N 3.07Å; G27-K29 PolarHBondContact O-N 3.27Å; G27-L30 PolarHBondContact O-N 3.25Å; G27-L31 WeakPolarHBondContact O-CG 3.39Å; G27-L31 PolarHBondContact O-N 2.89Å
28D70.1Confident66.7Low78 Ų7885.4 Ų85.442%0.41745%0.454SS..Hα-helixtrans-64.1-40.9179.6-69.7-21.9000112.4E24 L30 L31 A32E24-D28 PolarHBondContact O-N 3.42Å; E24-D28 VanDerWaalsContact O-N 3.11Å; D28-L30 VanDerWaalsContact C-N 3.35Å; D28-L30 PolarHBondContact O-N 3.06Å; D28-L31 PolarHBondContact O-N 3.4Å; D28-A32 VanDerWaalsContact O-CB 3.25Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.33Å
29K71.4Confident68.6Low33 Ų3380.9 Ų80.914%0.14342%0.424CS..Hα-helixtrans-63.3-38.4174.2-76.5169.4176.4158.10112.4E25 G27 K33E25-K29 WeakPolarHBondContact O-CB 3.5Å; E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.36Å; E25-K29 VanDerWaalsContact O-N 3.16Å; E25-K29 IonicContact OE2-NZ 3Å; E25-K29 PolarHBondContact OE2-NZ 2.96Å; G27-K29 PolarHBondContact O-N 3.27Å; K29-K33 WeakPolarHBondContact O-CB 3.41Å; K29-K33 PolarHBondContact O-N 2.69Å
30L78Confident70.7Confident122 Ų12272.3 Ų72.364%0.63939%0.388SS*.Hα-helixtrans-67.7-42.6175.9-177.563.7000111.8S26 G27 D28 K33 K34S26-L30 PolarHBondContact O-N 3.47Å; S26-L30 VanDerWaalsContact O-N 3.12Å; G27-L30 PolarHBondContact O-N 3.25Å; D28-L30 VanDerWaalsContact C-N 3.35Å; D28-L30 PolarHBondContact O-N 3.06Å; L30-K33 PolarHBondContact O-N 3.29Å; L30-K34 WeakPolarHBondContact O-CB 3.25Å; L30-K34 PolarHBondContact O-N 2.81Å
31L79.6Confident73Confident94 Ų9469.2 Ų69.249%0.49237%0.373SS..Hα-helixtrans-62.7-46.1175.3-70.7172.8000111.3G27 D28 K33 K34 K35G27-L31 WeakPolarHBondContact O-CG 3.39Å; G27-L31 PolarHBondContact O-N 2.89Å; D28-L31 PolarHBondContact O-N 3.4Å; L31-K33 PolarHBondContact O-N 3.43Å; L31-K34 PolarHBondContact O-N 3.16Å; L31-K35 WeakPolarHBondContact O-CG 3.31Å; L31-K35 PolarHBondContact O-N 3.45Å
32A78Confident74.9Confident2 Ų266 Ų662%0.01736%0.358CS..Hα-helixtrans-55.4-48.517400000111.8D28 K34 K35 L36 L83 N196 V199D28-A32 VanDerWaalsContact O-CB 3.25Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.33Å; A32-K34 PolarHBondContact O-N 3.16Å; A32-K35 PolarHBondContact O-N 2.89Å; A32-L36 PolarHBondContact O-N 3.29Å; A32-L83 HydrophobicContact CB-CD1 4.48Å; A32-N196 HydrophobicContact CB-CB 4.33Å; A32-V199 HydrophobicContact CB-CG2 3.49Å; A32-V199 VanDerWaalsContact CB-CG2 3.49Å
33K83.4Confident76.9Confident105 Ų10561 Ų6146%0.45733%0.328SS..Hα-helixtrans-60.6-45.4177.1-176-179.6178.7-177.50111.9K29 L30 L31 K35 Y37 L80K29-K33 WeakPolarHBondContact O-CB 3.41Å; K29-K33 PolarHBondContact O-N 2.69Å; L30-K33 PolarHBondContact O-N 3.29Å; L31-K33 PolarHBondContact O-N 3.43Å; K33-K35 PolarHBondContact O-N 3.48Å; K33-Y37 VanDerWaalsContact O-CB 3.29Å; K33-Y37 WeakPolarHBondContact O-CB 3.39Å; K33-Y37 PolarHBondContact O-N 3Å; K33-L80 HydrophobicContact CG-CD2 4.28Å
34K86.5Confident79.1Confident141 Ų14161.8 Ų61.861%0.61332%0.319SS*.Hα-helixtrans-61.6-43.8178.8-173.4178.5178.5-177.30111.3L30 L31 A32 Y37 I38L30-K34 WeakPolarHBondContact O-CB 3.25Å; L30-K34 PolarHBondContact O-N 2.81Å; L31-K34 PolarHBondContact O-N 3.16Å; A32-K34 PolarHBondContact O-N 3.16Å; K34-Y37 PolarHBondContact O-N 3.11Å; K34-I38 HydrophobicContact CG-CD1 4.03Å; K34-I38 VanDerWaalsContact O-CG1 3.26Å; K34-I38 WeakPolarHBondContact O-CG1 3.28Å; K34-I38 PolarHBondContact O-N 3.21Å
35K83.1Confident81Confident32 Ų3260.7 Ų60.714%0.13932%0.321CS..Hα-helixtrans-66.1-47.7179.3-72.4176.8-178.4177.50112.5L31 A32 K33 Y37 I38 A39 L158 H160 S161L31-K35 WeakPolarHBondContact O-CG 3.31Å; L31-K35 PolarHBondContact O-N 3.45Å; A32-K35 PolarHBondContact O-N 2.89Å; K33-K35 PolarHBondContact O-N 3.48Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.4Å; K35-I38 PolarHBondContact O-N 2.97Å; K35-A39 WeakPolarHBondContact O-CB 3.47Å; K35-A39 PolarHBondContact O-N 3.46Å; K35-L158 HydrophobicContact CB-CD1 4.34Å; K35-H160 PolarHBondContact NZ-O 3.48Å; K35-S161 VanDerWaalsContact CD-OG 3.29Å; K35-S161 WeakPolarHBondContact CD-OG 3.41Å; K35-S161 PolarHBondContact NZ-OG 2.95Å
36L83.1Confident82.3Confident0 Ų059.9 Ų59.90%032%0.317CS..Hα-helixtrans-61.4-37176.1-80.8166.4000111.9A32 S40 L80 L83 L158 V199 A202A32-L36 PolarHBondContact O-N 3.29Å; L36-S40 VanDerWaalsContact O-CB 3.25Å; L36-S40 WeakPolarHBondContact O-CB 3.38Å; L36-S40 PolarHBondContact O-N 3.47Å; L36-S40 PolarHBondContact O-OG 3.45Å; L36-L80 HydrophobicContact CB-CD1 4.5Å; L36-L80 HydrophobicContact CB-CD2 3.46Å; L36-L80 VanDerWaalsContact CB-CD2 3.46Å; L36-L80 HydrophobicContact CB-CG 3.86Å; L36-L80 HydrophobicContact CD1-CD2 4.33Å; L36-L83 HydrophobicContact CD1-CD1 3.26Å; L36-L158 HydrophobicContact CD2-CD1 4.46Å; L36-V199 HydrophobicContact CD1-CG2 3.82Å; L36-V199 HydrophobicContact CG-CG2 4.19Å; L36-A202 HydrophobicContact CD2-CB 3.66Å
37Y89.7Confident83.7Confident164 Ų16457 Ų5764%0.64330%0.295SS*.Hα-helixtrans-63.9-45.9174.8-174.1-95000112.1K33 K34 K35 S40 A41K33-Y37 VanDerWaalsContact O-CB 3.29Å; K33-Y37 WeakPolarHBondContact O-CB 3.39Å; K33-Y37 PolarHBondContact O-N 3Å; K34-Y37 PolarHBondContact O-N 3.11Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.4Å; Y37-S40 PolarHBondContact O-N 3Å; Y37-A41 WeakPolarHBondContact O-CB 3.28Å; Y37-A41 PolarHBondContact O-N 3.27Å
38I88.9Confident84.7Confident70 Ų7059.4 Ų59.436%0.35930%0.299SS..Hα-helixtrans-62.3-47.8176.5-65.9164.5000110.5K34 K35 S40 A41 V42 I157K34-I38 HydrophobicContact CG-CD1 4.03Å; K34-I38 VanDerWaalsContact O-CG1 3.26Å; K34-I38 WeakPolarHBondContact O-CG1 3.28Å; K34-I38 PolarHBondContact O-N 3.21Å; K35-I38 PolarHBondContact O-N 2.97Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.1Å; I38-A41 PolarHBondContact O-N 2.93Å; I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.44Å; I38-I157 HydrophobicContact CB-CG2 4.4Å; I38-I157 HydrophobicContact CG2-CD1 4.08Å; I38-I157 HydrophobicContact CG2-CG2 4.15Å
39A86Confident85.4Confident1 Ų157.7 Ų57.71%0.00830%0.299CS..Hα-helixtrans-59.5-43.4178.100000111.8K35 A41 V42 C43 M76 I157K35-A39 WeakPolarHBondContact O-CB 3.47Å; K35-A39 PolarHBondContact O-N 3.46Å; A39-A41 VanDerWaalsContact C-N 3.34Å; A39-A41 PolarHBondContact O-N 3.29Å; A39-V42 PolarHBondContact O-N 3.07Å; A39-C43 WeakPolarHBondContact O-CB 3.16Å; A39-C43 PolarHBondContact O-N 3.46Å; A39-M76 HydrophobicContact CB-SD 4.17Å; A39-I157 HydrophobicContact CB-CG2 4.32Å
40S88.9Confident86.1Confident4 Ų456.8 Ų56.83%0.02830%0.295CS..Hα-helixtrans-62.9-39.8176.5-60.10000112.5L36 Y37 I38 L44 M77L36-S40 VanDerWaalsContact O-CB 3.25Å; L36-S40 WeakPolarHBondContact O-CB 3.38Å; L36-S40 PolarHBondContact O-N 3.47Å; L36-S40 PolarHBondContact O-OG 3.45Å; Y37-S40 PolarHBondContact O-N 3Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.1Å; S40-L44 VanDerWaalsContact O-CB 3.3Å; S40-L44 WeakPolarHBondContact O-CB 3.49Å; S40-L44 PolarHBondContact O-N 3.4Å; S40-M77 WeakPolarHBondContact OG-CE 3.48Å
41A90.6Very high86.4Confident43 Ų4354.7 Ų54.736%0.35529%0.287SS..Hα-helixtrans-66.6-41.9177.200000111.8Y37 I38 A39 L44 V45Y37-A41 WeakPolarHBondContact O-CB 3.28Å; Y37-A41 PolarHBondContact O-N 3.27Å; I38-A41 PolarHBondContact O-N 2.93Å; A39-A41 VanDerWaalsContact C-N 3.34Å; A39-A41 PolarHBondContact O-N 3.29Å; A41-L44 PolarHBondContact O-N 3.37Å; A41-V45 WeakPolarHBondContact O-CG2 3.49Å; A41-V45 PolarHBondContact O-N 3.05Å
42V88.8Confident86.7Confident42 Ų4254.8 Ų54.826%0.25529%0.287SS..Hα-helixtrans-61.3-48.5174.9171.40000110.7I38 A39 L44 V45 F46 V150 I153 M154 I157I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.44Å; A39-V42 PolarHBondContact O-N 3.07Å; V42-L44 VanDerWaalsContact C-N 3.35Å; V42-L44 PolarHBondContact O-N 3.17Å; V42-V45 PolarHBondContact O-N 3Å; V42-F46 PolarHBondContact O-N 3.19Å; V42-V150 HydrophobicContact CG1-CG1 4.44Å; V42-I153 HydrophobicContact CG1-CG2 4.38Å; V42-M154 HydrophobicContact CG1-CG 4.23Å; V42-I157 HydrophobicContact CG2-CD1 4.05Å
43C88.3Confident86.7Confident0 Ų056.1 Ų56.10%030%0.301CS..Hα-helixtrans-59.4-43.9177.5-177.60000111.7A39 V45 F46 M47 M154A39-C43 WeakPolarHBondContact O-CB 3.16Å; A39-C43 PolarHBondContact O-N 3.46Å; C43-V45 PolarHBondContact O-N 3.2Å; C43-F46 PolarHBondContact O-N 2.81Å; C43-M47 VanDerWaalsContact O-CB 3.3Å; C43-M47 WeakPolarHBondContact O-CB 3.38Å; C43-M47 PolarHBondContact O-N 3.28Å; C43-M154 HydrophobicContact CB-CE 4.33Å; C43-M154 HydrophobicContact CB-SD 4.2Å
44L90.6Very high86.6Confident67 Ų6751.1 Ų51.135%0.35128%0.28SS..Hα-helixtrans-61.9-45.3177.6179.361000112.7S40 A41 V42 F46 M47 I48 F73S40-L44 VanDerWaalsContact O-CB 3.3Å; S40-L44 WeakPolarHBondContact O-CB 3.49Å; S40-L44 PolarHBondContact O-N 3.4Å; A41-L44 PolarHBondContact O-N 3.37Å; V42-L44 VanDerWaalsContact C-N 3.35Å; V42-L44 PolarHBondContact O-N 3.17Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 2.93Å; L44-M47 HydrophobicContact CD1-CE 3.44Å; L44-M47 VanDerWaalsContact CD1-CE 3.44Å; L44-M47 PolarHBondContact O-N 2.83Å; L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.42Å; L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.45Å; L44-F73 HydrophobicContact CB-CD2 4.22Å; L44-F73 HydrophobicContact CB-CE2 3.95Å; L44-F73 HydrophobicContact CD1-CE2 4.47Å; L44-F73 HydrophobicContact CD1-CZ 4.45Å
45V90.4Very high86.3Confident108 Ų10852.6 Ų52.666%0.65528%0.283SS*.Hα-helixtrans-62.6-43.2178.4169.70000110.7A41 V42 C43 I48 G49A41-V45 WeakPolarHBondContact O-CG2 3.49Å; A41-V45 PolarHBondContact O-N 3.05Å; V42-V45 PolarHBondContact O-N 3Å; C43-V45 PolarHBondContact O-N 3.2Å; V45-I48 PolarHBondContact O-N 3.04Å; V45-G49 PolarHBondContact O-N 2.9Å; V45-G49 VanDerWaalsContact O-N 3.09Å
46F85.9Confident86.2Confident32 Ų3257.2 Ų57.214%0.1431%0.308CS..Hα-helixtrans-66.8-46.5179.2-175-121.1000112.2V42 C43 L44 I48 G49 E50 L69 F146 V150V42-F46 PolarHBondContact O-N 3.19Å; C43-F46 PolarHBondContact O-N 2.81Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 2.93Å; F46-I48 VanDerWaalsContact C-N 3.29Å; F46-I48 PolarHBondContact O-N 2.61Å; F46-G49 CarbonylContact O-C 3.57Å; F46-G49 WeakPolarHBondContact O-CA 3.38Å; F46-G49 PolarHBondContact O-N 3.34Å; F46-E50 HydrophobicContact CD1-CG 4.43Å; F46-E50 HydrophobicContact CD2-CG 4.47Å; F46-E50 HydrophobicContact CE1-CG 4.01Å; F46-E50 WeakPolarHBondContact CE1-OE1 3.31Å; F46-E50 HydrophobicContact CE2-CG 4.07Å; F46-E50 HydrophobicContact CZ-CG 3.83Å; F46-E50 WeakPolarHBondContact CZ-OE1 3.14Å; F46-E50 PolarHBondContact O-N 2.7Å; F46-L69 HydrophobicContact CD1-CD1 3.32Å; F46-L69 HydrophobicContact CD1-CD2 4.03Å; F46-L69 HydrophobicContact CD1-CG 4.33Å; F46-L69 HydrophobicContact CE1-CD1 3.54Å; F46-L69 HydrophobicContact CE1-CD2 4.21Å; F46-L69 HydrophobicContact CE1-CG 4.47Å; F46-L69 HydrophobicContact CG-CD1 4.35Å; F46-F146 HydrophobicContact CE2-CB 4.09Å; F46-F146 HydrophobicContact CZ-CB 4.12Å; F46-V150 HydrophobicContact CB-CG1 4.19Å; F46-V150 HydrophobicContact CB-CG2 4.4Å; F46-V150 HydrophobicContact CD1-CB 4.11Å; F46-V150 HydrophobicContact CD1-CG1 3.8Å; F46-V150 HydrophobicContact CD1-CG2 4.01Å; F46-V150 HydrophobicContact CD2-CG2 3.57Å; F46-V150 HydrophobicContact CE1-CB 4.2Å; F46-V150 HydrophobicContact CE1-CG1 4.34Å; F46-V150 HydrophobicContact CE1-CG2 4.12Å; F46-V150 HydrophobicContact CE2-CG2 3.69Å; F46-V150 HydrophobicContact CG-CB 4.28Å; F46-V150 HydrophobicContact CG-CG1 3.97Å; F46-V150 HydrophobicContact CG-CG2 3.73Å; F46-V150 HydrophobicContact CZ-CB 4.45Å; F46-V150 HydrophobicContact CZ-CG2 3.97Å
47M88.9Confident85.8Confident23 Ų2359.8 Ų59.811%0.11333%0.329CS..Hα-helixtrans-54.9-44.2175.2-179.1-174.159.700111.6C43 L44 G49 E50 V51 L69 L70C43-M47 VanDerWaalsContact O-CB 3.3Å; C43-M47 WeakPolarHBondContact O-CB 3.38Å; C43-M47 PolarHBondContact O-N 3.28Å; L44-M47 HydrophobicContact CD1-CE 3.44Å; L44-M47 VanDerWaalsContact CD1-CE 3.44Å; L44-M47 PolarHBondContact O-N 2.83Å; M47-G49 VanDerWaalsContact C-N 3.32Å; M47-G49 PolarHBondContact O-N 3.29Å; M47-E50 PolarHBondContact O-N 3.26Å; M47-V51 VanDerWaalsContact O-CG2 3.27Å; M47-V51 WeakPolarHBondContact O-CG2 3.3Å; M47-V51 PolarHBondContact O-N 3.46Å; M47-L69 HydrophobicContact CB-CB 4.15Å; M47-L69 HydrophobicContact CB-CD1 4.3Å; M47-L69 HydrophobicContact CG-CB 4.23Å; M47-L70 HydrophobicContact CE-CD1 4.4Å; M47-L70 VanDerWaalsContact SD-CA 3.57Å; M47-L70 HydrophobicContact SD-CB 3.77Å; M47-L70 HydrophobicContact SD-CD1 3.75Å; M47-L70 HydrophobicContact SD-CG 4.38Å
48I89Confident85.2Confident87 Ų8759.9 Ų59.945%0.44634%0.335SS..Hα-helixtrans-61.7-42.8175.7-68.8165.8000110.9L44 V45 F46 V51 I52L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.42Å; L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.45Å; V45-I48 PolarHBondContact O-N 3.04Å; F46-I48 VanDerWaalsContact C-N 3.29Å; F46-I48 PolarHBondContact O-N 2.61Å; I48-V51 PolarHBondContact O-N 3.15Å; I48-I52 HydrophobicContact CG2-CD1 3.7Å; I48-I52 HydrophobicContact CG2-CG1 4.44Å; I48-I52 WeakPolarHBondContact O-CB 2.81Å; I48-I52 VanDerWaalsContact O-CG1 3.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.14Å; I48-I52 PolarHBondContact O-N 2.82Å
49G85.5Confident84.4Confident41 Ų4157.5 Ų57.542%0.42333%0.325SS..Hα-helixtrans-59.2-45.2176.300000112.8V45 F46 M47 I52 G53V45-G49 PolarHBondContact O-N 2.9Å; V45-G49 VanDerWaalsContact O-N 3.09Å; F46-G49 CarbonylContact O-C 3.57Å; F46-G49 WeakPolarHBondContact O-CA 3.38Å; F46-G49 PolarHBondContact O-N 3.34Å; M47-G49 VanDerWaalsContact C-N 3.32Å; M47-G49 PolarHBondContact O-N 3.29Å; G49-I52 PolarHBondContact O-N 3.35Å; G49-G53 PolarHBondContact O-N 2.83Å
50E84.6Confident83.6Confident14 Ų1463.7 Ų63.77%0.06536%0.357CS..Hα-helixtrans-69.1-39.8177.8-68.4-156.5154.800113.1F46 M47 I52 G53 G54 I62 A66 L69F46-E50 HydrophobicContact CD1-CG 4.43Å; F46-E50 HydrophobicContact CD2-CG 4.47Å; F46-E50 HydrophobicContact CE1-CG 4.01Å; F46-E50 WeakPolarHBondContact CE1-OE1 3.31Å; F46-E50 HydrophobicContact CE2-CG 4.07Å; F46-E50 HydrophobicContact CZ-CG 3.83Å; F46-E50 WeakPolarHBondContact CZ-OE1 3.14Å; F46-E50 PolarHBondContact O-N 2.7Å; M47-E50 PolarHBondContact O-N 3.26Å; E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.96Å; E50-G53 PolarHBondContact O-N 2.97Å; E50-G54 PolarHBondContact O-N 3.43Å; E50-I62 HydrophobicContact CB-CG2 4.35Å; E50-I62 WeakPolarHBondContact O-CG2 3.32Å; E50-A66 HydrophobicContact CB-CB 4.15Å; E50-A66 PolarHBondContact OE2-N 3.12Å; E50-L69 HydrophobicContact CG-CD1 4.12Å; E50-L69 WeakPolarHBondContact OE2-CD1 3.38Å
51V85.8Confident82.6Confident78 Ų7865.4 Ų65.447%0.47337%0.371SS..Hα-helixtrans-61-45.2175.3170.80000110.6M47 I48 Y55 A66M47-V51 VanDerWaalsContact O-CG2 3.27Å; M47-V51 WeakPolarHBondContact O-CG2 3.3Å; M47-V51 PolarHBondContact O-N 3.46Å; I48-V51 PolarHBondContact O-N 3.15Å; V51-Y55 WeakPolarHBondContact O-CB 3.2Å; V51-Y55 PolarHBondContact O-N 2.97Å; V51-A66 HydrophobicContact CG2-CB 3.77Å
52I85.7Confident81.9Confident97 Ų9764 Ų6450%0.49736%0.358SS..Hα-helixtrans-65.1-47.1176.9-66.4168000110.2I48 G49 E50 G54 Y55 L56I48-I52 HydrophobicContact CG2-CD1 3.7Å; I48-I52 HydrophobicContact CG2-CG1 4.44Å; I48-I52 WeakPolarHBondContact O-CB 2.81Å; I48-I52 VanDerWaalsContact O-CG1 3.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.14Å; I48-I52 PolarHBondContact O-N 2.82Å; G49-I52 PolarHBondContact O-N 3.35Å; E50-I52 VanDerWaalsContact C-N 3.33Å; E50-I52 PolarHBondContact O-N 2.96Å; I52-G54 PolarHBondContact O-N 3.49Å; I52-Y55 PolarHBondContact O-N 3.42Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.2Å; I52-L56 PolarHBondContact O-N 3.3Å
53G78.3Confident81.1Confident30 Ų3067.2 Ų67.231%0.30937%0.371SS..Hα-helixtrans-60.5-43.4178.800000112.7G49 E50 L56 A57G49-G53 PolarHBondContact O-N 2.83Å; E50-G53 PolarHBondContact O-N 2.97Å; G53-L56 PolarHBondContact O-N 2.93Å; G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 2.68Å
54G80Confident80.5Confident0 Ų070 Ų700%039%0.388CS..Hα-helixtrans-65.6-40.2177.400000112.9E50 I52 H58 S59E50-G54 PolarHBondContact O-N 3.43Å; I52-G54 PolarHBondContact O-N 3.49Å; G54-H58 PolarHBondContact O-N 3.34Å; G54-S59 PolarHBondContact O-N 3.23Å; G54-S59 VanDerWaalsContact O-N 3.13Å
55Y81.3Confident79.9Confident172 Ų17268.8 Ų68.868%0.67538%0.382SS*.Hα-helixtrans-64.7-45.7174.6-174.5-97.4000112V51 I52 H58V51-Y55 WeakPolarHBondContact O-CB 3.2Å; V51-Y55 PolarHBondContact O-N 2.97Å; I52-Y55 PolarHBondContact O-N 3.42Å; Y55-H58 PolarHBondContact O-N 3.46Å
56L80.1Confident79.4Confident128 Ų12864 Ų6467%0.6735%0.354SS*.Hα-helixtrans-67.6-34.6178.8-68.6175.1000112.7I52 G53 H58I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.2Å; I52-L56 PolarHBondContact O-N 3.3Å; G53-L56 PolarHBondContact O-N 2.93Å; L56-H58 VanDerWaalsContact C-N 3.31Å
57A75.8Confident79.1Confident54 Ų5465.1 Ų65.145%0.44637%0.369SS..THydrogen-bonded Turntrans-83.3-5178.400000113.4G53 S59 I62G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 2.68Å; A57-S59 PolarHBondContact O-N 3Å; A57-S59 VanDerWaalsContact O-N 3.09Å; A57-I62 HydrophobicContact CB-CD1 3.97Å
58H75.9Confident78.7Confident167 Ų16765 Ų6577%0.77337%0.368SS*.THydrogen-bonded Turntrans47.933.7-170.5-69.8-69.7000113.3G54 Y55 L56G54-H58 PolarHBondContact O-N 3.34Å; Y55-H58 PolarHBondContact O-N 3.46Å; L56-H58 VanDerWaalsContact C-N 3.31Å
59S72Confident78.5Confident19 Ų1961.2 Ų61.213%0.13335%0.349CS..  trans-104.4113.5-170.1-173.40000111.3G54 A57 A61 I62 M63G54-S59 PolarHBondContact O-N 3.23Å; G54-S59 VanDerWaalsContact O-N 3.13Å; A57-S59 PolarHBondContact O-N 3Å; A57-S59 VanDerWaalsContact O-N 3.09Å; S59-A61 PolarHBondContact O-N 3.26Å; S59-I62 PolarHBondContact O-N 3.12Å; S59-M63 PolarHBondContact O-N 3.4Å
60L69.9Low78.5Confident132 Ų13263.9 Ų63.969%0.69135%0.353SS*.Hα-helixtrans-61.5-31.2175.4-172.167.7000111.9M63 T64L60-M63 PolarHBondContact O-N 2.8Å; L60-T64 PolarHBondContact O-N 3.44Å; L60-T64 PolarHBondContact O-OG1 2.81Å
61A68.4Low78.5Confident40 Ų4065.2 Ų65.233%0.33136%0.362SS..Hα-helixtrans-63.3-42.5178.900000112.3S59 M63 T64 D65S59-A61 PolarHBondContact O-N 3.26Å; A61-M63 VanDerWaalsContact C-N 3.34Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.22Å; A61-D65 PolarHBondContact O-N 2.86Å
62I74.4Confident78.5Confident13 Ų1361.6 Ų61.67%0.06734%0.34CS..Hα-helixtrans-69-36.8176.9-53.5179.9000110.4E50 A57 S59 T64 D65 A66 V139 T143E50-I62 HydrophobicContact CB-CG2 4.35Å; E50-I62 WeakPolarHBondContact O-CG2 3.32Å; A57-I62 HydrophobicContact CB-CD1 3.97Å; S59-I62 PolarHBondContact O-N 3.12Å; I62-T64 VanDerWaalsContact C-N 3.32Å; I62-T64 PolarHBondContact O-N 3.05Å; I62-D65 PolarHBondContact O-N 3.11Å; I62-A66 PolarHBondContact O-N 3.44Å; I62-V139 HydrophobicContact CD1-CG1 3.65Å; I62-V139 HydrophobicContact CG1-CG1 3.81Å; I62-T143 HydrophobicContact CD1-CG2 3.88Å; I62-T143 HydrophobicContact CG1-CG2 3.68Å
63M73.3Confident78.7Confident109 Ų10959 Ų5954%0.53733%0.325SS..Hα-helixtrans-65-35176.3-69.3-174.56300112.9S59 L60 A61 A67S59-M63 PolarHBondContact O-N 3.4Å; L60-M63 PolarHBondContact O-N 2.8Å; A61-M63 VanDerWaalsContact C-N 3.34Å; M63-A67 PolarHBondContact O-N 3.27Å; M63-A67 VanDerWaalsContact O-N 3.12Å
64T74.7Confident79.2Confident59 Ų5959 Ų5936%0.36233%0.325SS..Hα-helixtrans-69-33.917549.90000112.8L60 A61 I62 A67 H68L60-T64 PolarHBondContact O-N 3.44Å; L60-T64 PolarHBondContact O-OG1 2.81Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.22Å; I62-T64 VanDerWaalsContact C-N 3.32Å; I62-T64 PolarHBondContact O-N 3.05Å; T64-A67 PolarHBondContact O-N 3.07Å; T64-H68 PolarHBondContact O-N 3.44Å
65D77.5Confident79.5Confident42 Ų4259.1 Ų59.123%0.22533%0.326CS..Hα-helixtrans-69.1-43.7175-153.420.5000110.9A61 I62 A67 H68 L69A61-D65 PolarHBondContact O-N 2.86Å; I62-D65 PolarHBondContact O-N 3.11Å; D65-A67 PolarHBondContact O-N 3Å; D65-H68 WeakPolarHBondContact O-CA 3.39Å; D65-H68 WeakPolarHBondContact O-CB 3.25Å; D65-H68 PolarHBondContact O-N 3.37Å; D65-L69 PolarHBondContact O-N 2.91Å
66A79.7Confident79.7Confident7 Ų750.9 Ų50.96%0.05829%0.294CS..Hα-helixtrans-59.6-34.1173.900000113.2E50 V51 I62 H68 L69 L70E50-A66 HydrophobicContact CB-CB 4.15Å; E50-A66 PolarHBondContact OE2-N 3.12Å; V51-A66 HydrophobicContact CG2-CB 3.77Å; I62-A66 PolarHBondContact O-N 3.44Å; A66-H68 VanDerWaalsContact C-N 3.34Å; A66-L69 PolarHBondContact O-N 2.86Å; A66-L70 PolarHBondContact O-N 3.5Å
67A79.5Confident80.2Confident55 Ų5548 Ų4846%0.45528%0.277SS..Hα-helixtrans-68.1-33.7174.600000112.4M63 T64 D65 T71M63-A67 PolarHBondContact O-N 3.27Å; M63-A67 VanDerWaalsContact O-N 3.12Å; T64-A67 PolarHBondContact O-N 3.07Å; D65-A67 PolarHBondContact O-N 3Å; A67-T71 PolarHBondContact O-N 3.43Å
68H80.8Confident80.9Confident21 Ų2147.5 Ų47.510%0.09727%0.269CS..Hα-helixtrans-63-51.7171.6-169.3-74.3000110.7T64 D65 A66 L70 T71 D72 D209 Q212T64-H68 PolarHBondContact O-N 3.44Å; D65-H68 WeakPolarHBondContact O-CA 3.39Å; D65-H68 WeakPolarHBondContact O-CB 3.25Å; D65-H68 PolarHBondContact O-N 3.37Å; A66-H68 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 3.24Å; H68-T71 WeakPolarHBondContact O-CA 3.47Å; H68-T71 PolarHBondContact O-N 2.95Å; H68-T71 PolarHBondContact O-OG1 2.9Å; H68-D72 IonicContact CE1-OD1 2.86Å; H68-D72 PolarHBondContact CE1-OD1 3.17Å; H68-D72 IonicContact CE1-OD2 3.29Å; H68-D72 PolarHBondContact CE1-OD2 2.97Å; H68-D72 IonicContact CG-OD2 3.95Å; H68-D72 IonicContact ND1-OD1 2.75Å; H68-D72 PolarHBondContact ND1-OD1 2.86Å; H68-D72 IonicContact ND1-OD2 3.49Å; H68-D72 PolarHBondContact ND1-OD2 3.42Å; H68-D72 VanDerWaalsContact O-CG 3.29Å; H68-D72 PolarHBondContact O-N 3.38Å; H68-D209 IonicContact CE1-OD1 3.49Å; H68-D209 PolarHBondContact CE1-OD1 3.45Å; H68-Q212 PolarHBondContact CD2-NE2 3.29Å; H68-Q212 PolarHBondContact NE2-NE2 3.23Å
69L84.5Confident81.4Confident7 Ų739.5 Ų39.54%0.03723%0.232CC..Hα-helixtrans-58-34.2178.3-65.4177.9000113.3F46 M47 E50 D65 A66 T71 D72 F73F46-L69 HydrophobicContact CD1-CD1 3.32Å; F46-L69 HydrophobicContact CD1-CD2 4.03Å; F46-L69 HydrophobicContact CD1-CG 4.33Å; F46-L69 HydrophobicContact CE1-CD1 3.54Å; F46-L69 HydrophobicContact CE1-CD2 4.21Å; F46-L69 HydrophobicContact CE1-CG 4.47Å; F46-L69 HydrophobicContact CG-CD1 4.35Å; M47-L69 HydrophobicContact CB-CB 4.15Å; M47-L69 HydrophobicContact CB-CD1 4.3Å; M47-L69 HydrophobicContact CG-CB 4.23Å; E50-L69 HydrophobicContact CG-CD1 4.12Å; E50-L69 WeakPolarHBondContact OE2-CD1 3.38Å; D65-L69 PolarHBondContact O-N 2.91Å; A66-L69 PolarHBondContact O-N 2.86Å; L69-T71 VanDerWaalsContact C-N 3.31Å; L69-T71 PolarHBondContact O-N 2.85Å; L69-D72 WeakPolarHBondContact CA-OD2 3.26Å; L69-D72 PolarHBondContact O-N 3.02Å; L69-F73 WeakPolarHBondContact O-CB 3.4Å; L69-F73 PolarHBondContact O-N 2.64Å
70L86.6Confident82.2Confident97 Ų9740 Ų4051%0.50823%0.233SC..Hα-helixtrans-61.8-41.2174.6177.964.1000111.7M47 A66 H68 G74M47-L70 HydrophobicContact CE-CD1 4.4Å; M47-L70 VanDerWaalsContact SD-CA 3.57Å; M47-L70 HydrophobicContact SD-CB 3.77Å; M47-L70 HydrophobicContact SD-CD1 3.75Å; M47-L70 HydrophobicContact SD-CG 4.38Å; A66-L70 PolarHBondContact O-N 3.5Å; H68-L70 PolarHBondContact O-N 3.24Å; L70-G74 PolarHBondContact O-N 2.94Å
71T85.5Confident83.2Confident42 Ų4239.5 Ų39.526%0.25823%0.226SC..Hα-helixtrans-70.4-35.1177.459.70000112A67 H68 L69 G74 S75 V116A67-T71 PolarHBondContact O-N 3.43Å; H68-T71 WeakPolarHBondContact O-CA 3.47Å; H68-T71 PolarHBondContact O-N 2.95Å; H68-T71 PolarHBondContact O-OG1 2.9Å; L69-T71 VanDerWaalsContact C-N 3.31Å; L69-T71 PolarHBondContact O-N 2.85Å; T71-G74 PolarHBondContact O-N 2.93Å; T71-S75 PolarHBondContact O-N 3.35Å; T71-V116 HydrophobicContact CG2-CG2 3.69Å; T71-V116 WeakPolarHBondContact OG1-CG2 3.31Å
72D84.9Confident84.2Confident2 Ų237.9 Ų37.91%0.01121%0.211CC..Hα-helixtrans-63.8-49.6174.4-54.8-27.6000110.4H68 L69 G74 S75 M76 H205H68-D72 IonicContact CE1-OD1 2.86Å; H68-D72 PolarHBondContact CE1-OD1 3.17Å; H68-D72 IonicContact CE1-OD2 3.29Å; H68-D72 PolarHBondContact CE1-OD2 2.97Å; H68-D72 IonicContact CG-OD2 3.95Å; H68-D72 IonicContact ND1-OD1 2.75Å; H68-D72 PolarHBondContact ND1-OD1 2.86Å; H68-D72 IonicContact ND1-OD2 3.49Å; H68-D72 PolarHBondContact ND1-OD2 3.42Å; H68-D72 VanDerWaalsContact O-CG 3.29Å; H68-D72 PolarHBondContact O-N 3.38Å; L69-D72 WeakPolarHBondContact CA-OD2 3.26Å; L69-D72 PolarHBondContact O-N 3.02Å; D72-G74 VanDerWaalsContact C-N 3.32Å; D72-G74 PolarHBondContact O-N 3.28Å; D72-S75 PolarHBondContact O-N 2.7Å; D72-S75 PolarHBondContact O-OG 3.08Å; D72-M76 WeakPolarHBondContact O-CG 3.32Å; D72-M76 PolarHBondContact O-N 3.47Å; D72-M76 VanDerWaalsContact O-N 3.08Å; D72-H205 VanDerWaalsContact CG-NE2 3.34Å; D72-H205 IonicContact OD1-CD2 3Å; D72-H205 IonicContact OD1-CE1 2.72Å; D72-H205 PolarHBondContact OD1-CE1 3.31Å; D72-H205 VanDerWaalsContact OD1-CE1 3.29Å; D72-H205 IonicContact OD1-NE2 3.22Å; D72-H205 PolarHBondContact OD1-NE2 2.83Å
73F89.2Confident84.8Confident42 Ų4237.5 Ų37.518%0.18421%0.21CC..Hα-helixtrans-56.5-46.2173.4177-102.1000111.6L44 L69 S75 M76 M77L44-F73 HydrophobicContact CB-CD2 4.22Å; L44-F73 HydrophobicContact CB-CE2 3.95Å; L44-F73 HydrophobicContact CD1-CE2 4.47Å; L44-F73 HydrophobicContact CD1-CZ 4.45Å; L69-F73 WeakPolarHBondContact O-CB 3.4Å; L69-F73 PolarHBondContact O-N 2.64Å; F73-S75 VanDerWaalsContact C-N 3.32Å; F73-S75 PolarHBondContact O-N 2.79Å; F73-M76 PolarHBondContact O-N 3.4Å; F73-M77 HydrophobicContact CD1-CG 4.1Å; F73-M77 HydrophobicContact CD2-CE 4.23Å; F73-M77 HydrophobicContact CE1-CG 3.64Å; F73-M77 HydrophobicContact CE1-SD 4.22Å; F73-M77 HydrophobicContact CE2-CE 3.62Å; F73-M77 HydrophobicContact CE2-CG 4.24Å; F73-M77 HydrophobicContact CE2-SD 4.12Å; F73-M77 HydrophobicContact CZ-CE 3.84Å; F73-M77 HydrophobicContact CZ-CG 3.71Å; F73-M77 HydrophobicContact CZ-SD 3.69Å; F73-M77 WeakPolarHBondContact O-CG 3.44Å; F73-M77 PolarHBondContact O-N 3.13Å
74G89.6Confident85.5Confident30 Ų3038.1 Ų38.131%0.30921%0.206SC..Hα-helixtrans-57-44.3176.400000112.4L70 T71 D72 M76 M77 V78L70-G74 PolarHBondContact O-N 2.94Å; T71-G74 PolarHBondContact O-N 2.93Å; D72-G74 VanDerWaalsContact C-N 3.32Å; D72-G74 PolarHBondContact O-N 3.28Å; G74-M76 VanDerWaalsContact C-N 3.32Å; G74-M76 PolarHBondContact O-N 2.95Å; G74-M77 WeakPolarHBondContact O-CB 3.23Å; G74-M77 PolarHBondContact O-N 2.8Å; G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 3.4Å
75S86.7Confident86.2Confident3 Ų336.6 Ų36.62%0.02120%0.195CC..Hα-helixtrans-64.2-35.417884.90000112.7T71 D72 F73 S79 S109T71-S75 PolarHBondContact O-N 3.35Å; D72-S75 PolarHBondContact O-N 2.7Å; D72-S75 PolarHBondContact O-OG 3.08Å; F73-S75 VanDerWaalsContact C-N 3.32Å; F73-S75 PolarHBondContact O-N 2.79Å; S75-S79 PolarHBondContact O-N 2.74Å; S75-S79 VanDerWaalsContact O-N 3.09Å; S75-S79 PolarHBondContact O-OG 3.46Å; S75-S79 VanDerWaalsContact O-OG 3.07Å; S75-S109 PolarHBondContact O-OG 3.32Å
76M85.7Confident86.7Confident0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-71.8-36.3174.9-64.9-171.2-173.800112A39 D72 F73 G74 S79 L80 M154 V206A39-M76 HydrophobicContact CB-SD 4.17Å; D72-M76 WeakPolarHBondContact O-CG 3.32Å; D72-M76 PolarHBondContact O-N 3.47Å; D72-M76 VanDerWaalsContact O-N 3.08Å; F73-M76 PolarHBondContact O-N 3.4Å; G74-M76 VanDerWaalsContact C-N 3.32Å; G74-M76 PolarHBondContact O-N 2.95Å; M76-S79 WeakPolarHBondContact O-CB 3.49Å; M76-S79 PolarHBondContact O-N 3.05Å; M76-L80 PolarHBondContact O-N 2.94Å; M76-M154 HydrophobicContact CE-CE 3.34Å; M76-M154 HydrophobicContact SD-CE 4.41Å; M76-V206 HydrophobicContact CE-CG2 3.42Å; M76-V206 VanDerWaalsContact CE-CG2 3.42Å
77M90.1Very high87Confident66 Ų6637.9 Ų37.933%0.32521%0.208SC..Hα-helixtrans-62.4-43.5173.1-70.5-57.299.300111.6S40 F73 G74 S79 L80 F81S40-M77 WeakPolarHBondContact OG-CE 3.48Å; F73-M77 HydrophobicContact CD1-CG 4.1Å; F73-M77 HydrophobicContact CD2-CE 4.23Å; F73-M77 HydrophobicContact CE1-CG 3.64Å; F73-M77 HydrophobicContact CE1-SD 4.22Å; F73-M77 HydrophobicContact CE2-CE 3.62Å; F73-M77 HydrophobicContact CE2-CG 4.24Å; F73-M77 HydrophobicContact CE2-SD 4.12Å; F73-M77 HydrophobicContact CZ-CE 3.84Å; F73-M77 HydrophobicContact CZ-CG 3.71Å; F73-M77 HydrophobicContact CZ-SD 3.69Å; F73-M77 WeakPolarHBondContact O-CG 3.44Å; F73-M77 PolarHBondContact O-N 3.13Å; G74-M77 WeakPolarHBondContact O-CB 3.23Å; G74-M77 PolarHBondContact O-N 2.8Å; M77-S79 VanDerWaalsContact C-N 3.28Å; M77-S79 PolarHBondContact O-N 3.36Å; M77-L80 HydrophobicContact CE-CD1 3.64Å; M77-L80 PolarHBondContact O-N 2.94Å; M77-F81 VanDerWaalsContact O-CB 3.3Å; M77-F81 WeakPolarHBondContact O-CB 3.26Å; M77-F81 PolarHBondContact O-N 3.13Å
78V90.6Very high87.3Confident44 Ų4440.3 Ų40.327%0.26721%0.205SC..Hα-helixtrans-59.7-41173.3171.60000111G74 F81 S82 I108G74-V78 WeakPolarHBondContact O-CG2 3.46Å; G74-V78 PolarHBondContact O-N 3.4Å; V78-F81 PolarHBondContact O-N 3.07Å; V78-S82 WeakPolarHBondContact O-CB 3.47Å; V78-S82 PolarHBondContact O-N 2.87Å; V78-S82 PolarHBondContact O-OG 3.38Å; V78-I108 HydrophobicContact CG1-CB 4.03Å; V78-I108 HydrophobicContact CG1-CG2 3.89Å; V78-I108 HydrophobicContact CG2-CG2 4.3Å
79S86.3Confident87.6Confident0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-65.5-41176.5-65.10000112.9S75 M76 M77 S82 L83S75-S79 PolarHBondContact O-N 2.74Å; S75-S79 VanDerWaalsContact O-N 3.09Å; S75-S79 PolarHBondContact O-OG 3.46Å; S75-S79 VanDerWaalsContact O-OG 3.07Å; M76-S79 WeakPolarHBondContact O-CB 3.49Å; M76-S79 PolarHBondContact O-N 3.05Å; M77-S79 VanDerWaalsContact C-N 3.28Å; M77-S79 PolarHBondContact O-N 3.36Å; S79-S82 WeakPolarHBondContact CA-OG 3.43Å; S79-S82 PolarHBondContact O-OG 3.23Å; S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.11Å; S79-L83 VanDerWaalsContact O-N 3.1Å
80L88.2Confident87.8Confident29 Ų2947.7 Ų47.715%0.15226%0.255CS..Hα-helixtrans-67-41.5174.5-80.7173.4000112.2K33 L36 M76 M77 L83 W84K33-L80 HydrophobicContact CG-CD2 4.28Å; L36-L80 HydrophobicContact CB-CD1 4.5Å; L36-L80 HydrophobicContact CB-CD2 3.46Å; L36-L80 VanDerWaalsContact CB-CD2 3.46Å; L36-L80 HydrophobicContact CB-CG 3.86Å; L36-L80 HydrophobicContact CD1-CD2 4.33Å; M76-L80 PolarHBondContact O-N 2.94Å; M77-L80 HydrophobicContact CE-CD1 3.64Å; M77-L80 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 3.07Å; L80-W84 WeakPolarHBondContact O-CB 3.38Å; L80-W84 PolarHBondContact O-N 3.18Å
81F90.8Very high88.1Confident122 Ų12246 Ų4654%0.53525%0.249SC..Hα-helixtrans-65-44.3178.9-178-113.3000111.5M77 V78 W84 I85M77-F81 VanDerWaalsContact O-CB 3.3Å; M77-F81 WeakPolarHBondContact O-CB 3.26Å; M77-F81 PolarHBondContact O-N 3.13Å; V78-F81 PolarHBondContact O-N 3.07Å; F81-W84 HydrophobicContact CD2-CE3 4.11Å; F81-W84 HydrophobicContact CD2-CZ3 4.41Å; F81-W84 HydrophobicContact CE2-CE3 4.04Å; F81-W84 AromaticContact CE2-CZ3 3.9Å; F81-W84 HydrophobicContact CE2-CZ3 3.9Å; F81-W84 PolarHBondContact O-N 3.17Å; F81-I85 HydrophobicContact CD1-CD1 3.62Å; F81-I85 HydrophobicContact CD2-CD1 4.38Å; F81-I85 HydrophobicContact CE1-CD1 3.23Å; F81-I85 HydrophobicContact CE1-CG1 4.38Å; F81-I85 HydrophobicContact CE2-CD1 4.05Å; F81-I85 HydrophobicContact CE2-CG1 4.44Å; F81-I85 HydrophobicContact CG-CD1 4.2Å; F81-I85 HydrophobicContact CZ-CD1 3.48Å; F81-I85 VanDerWaalsContact CZ-CD1 3.48Å; F81-I85 HydrophobicContact CZ-CG1 4.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 2.63Å
82S89.9Confident88.3Confident5 Ų553.8 Ų53.84%0.03528%0.279CS..Hα-helixtrans-62.1-43.6174.854.40000112.6V78 S79 W84 I85 S86 S101V78-S82 WeakPolarHBondContact O-CB 3.47Å; V78-S82 PolarHBondContact O-N 2.87Å; V78-S82 PolarHBondContact O-OG 3.38Å; S79-S82 WeakPolarHBondContact CA-OG 3.43Å; S79-S82 PolarHBondContact O-OG 3.23Å; S82-W84 VanDerWaalsContact C-N 3.33Å; S82-W84 PolarHBondContact O-N 2.63Å; S82-I85 PolarHBondContact O-N 2.87Å; S82-S86 WeakPolarHBondContact O-CB 3.44Å; S82-S86 PolarHBondContact O-N 3.14Å; S82-S101 WeakPolarHBondContact CB-O 3.42Å; S82-S101 PolarHBondContact O-OG 3.12Å; S82-S101 VanDerWaalsContact O-OG 3.13Å
83L86.1Confident88.6Confident6 Ų659.6 Ų59.63%0.03132%0.315CS..Hα-helixtrans-61.7-39.8174.4-77171.7000112.7A32 L36 S79 L80 S86 S87 E102 N196A32-L83 HydrophobicContact CB-CD1 4.48Å; L36-L83 HydrophobicContact CD1-CD1 3.26Å; S79-L83 WeakPolarHBondContact O-CG 3.37Å; S79-L83 PolarHBondContact O-N 3.11Å; S79-L83 VanDerWaalsContact O-N 3.1Å; L80-L83 PolarHBondContact O-N 3.07Å; L83-S86 PolarHBondContact O-N 3.22Å; L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 VanDerWaalsContact O-N 3.11Å; L83-S87 PolarHBondContact O-OG 3.07Å; L83-E102 HydrophobicContact CD2-CG 4.13Å; L83-N196 HydrophobicContact CD2-CB 4.5Å
84W88.4Confident88.7Confident122 Ų12261.1 Ų61.146%0.46232%0.323SS..Hα-helixtrans-64.5-41.5176.1175.572.4000112L80 F81 S82 S87L80-W84 WeakPolarHBondContact O-CB 3.38Å; L80-W84 PolarHBondContact O-N 3.18Å; F81-W84 HydrophobicContact CD2-CE3 4.11Å; F81-W84 HydrophobicContact CD2-CZ3 4.41Å; F81-W84 HydrophobicContact CE2-CE3 4.04Å; F81-W84 AromaticContact CE2-CZ3 3.9Å; F81-W84 HydrophobicContact CE2-CZ3 3.9Å; F81-W84 PolarHBondContact O-N 3.17Å; S82-W84 VanDerWaalsContact C-N 3.33Å; S82-W84 PolarHBondContact O-N 2.63Å; W84-S87 PolarHBondContact O-N 3.42Å
85I90.4Very high88.7Confident26 Ų2664.6 Ų64.613%0.13334%0.339CS..Hα-helixtrans-63.7-46.2174.7-69.3167.2000110.8F81 S82 S87 R88 W98 S101F81-I85 HydrophobicContact CD1-CD1 3.62Å; F81-I85 HydrophobicContact CD2-CD1 4.38Å; F81-I85 HydrophobicContact CE1-CD1 3.23Å; F81-I85 HydrophobicContact CE1-CG1 4.38Å; F81-I85 HydrophobicContact CE2-CD1 4.05Å; F81-I85 HydrophobicContact CE2-CG1 4.44Å; F81-I85 HydrophobicContact CG-CD1 4.2Å; F81-I85 HydrophobicContact CZ-CD1 3.48Å; F81-I85 VanDerWaalsContact CZ-CD1 3.48Å; F81-I85 HydrophobicContact CZ-CG1 4.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 2.63Å; S82-I85 PolarHBondContact O-N 2.87Å; I85-S87 PolarHBondContact O-N 3.39Å; I85-R88 VanDerWaalsContact O-CB 3.28Å; I85-R88 WeakPolarHBondContact O-CB 3.26Å; I85-R88 WeakPolarHBondContact O-CG 3.46Å; I85-R88 PolarHBondContact O-N 3.19Å; I85-W98 HydrophobicContact CG2-CB 3.88Å; I85-W98 HydrophobicContact CG2-CD2 3.89Å; I85-W98 HydrophobicContact CG2-CE3 3.41Å; I85-W98 VanDerWaalsContact CG2-CE3 3.41Å; I85-W98 HydrophobicContact CG2-CG 4.11Å; I85-W98 HydrophobicContact CG2-CZ3 4.22Å; I85-W98 WeakPolarHBondContact O-CB 3.06Å; I85-S101 WeakPolarHBondContact CG2-OG 3.19Å
86S87.6Confident88.7Confident0 Ų069.6 Ų69.60%036%0.36CS..Hα-helixtrans-60.4-25.9178.3173.60000113.8S82 L83 R88 W98 H99 S101 E102S82-S86 WeakPolarHBondContact O-CB 3.44Å; S82-S86 PolarHBondContact O-N 3.14Å; L83-S86 PolarHBondContact O-N 3.22Å; S86-R88 PolarHBondContact O-N 3.11Å; S86-W98 WeakPolarHBondContact CA-O 3.45Å; S86-H99 PolarHBondContact O-ND1 3.36Å; S86-S101 WeakPolarHBondContact CA-OG 3.43Å; S86-S101 PolarHBondContact N-OG 3.19Å; S86-S101 VanDerWaalsContact N-OG 3.14Å; S86-E102 WeakPolarHBondContact CB-OE1 3.37Å; S86-E102 PolarHBondContact OG-OE1 3.24Å
87S84.9Confident89Confident77 Ų7770 Ų7054%0.53836%0.364SS..THydrogen-bonded Turntrans-79.3-4.9178.3-55.60000113.6L83 W84 I85L83-S87 PolarHBondContact O-N 2.82Å; L83-S87 VanDerWaalsContact O-N 3.11Å; L83-S87 PolarHBondContact O-OG 3.07Å; W84-S87 PolarHBondContact O-N 3.42Å; I85-S87 PolarHBondContact O-N 3.39Å
88R87.1Confident89Confident105 Ų10570.7 Ų70.740%0.39636%0.363SS..SBendtrans-74.4147.1179.4-67.4-175.4177.8-157.86.9111.6I85 S86 W98I85-R88 VanDerWaalsContact O-CB 3.28Å; I85-R88 WeakPolarHBondContact O-CB 3.26Å; I85-R88 WeakPolarHBondContact O-CG 3.46Å; I85-R88 PolarHBondContact O-N 3.19Å; S86-R88 PolarHBondContact O-N 3.11Å; R88-W98 HydrophobicContact CB-CG 4.41Å
89P86.6Confident88.8Confident102 Ų10270.2 Ų70.266%0.66236%0.358SS*.PPolyproline II helixtrans-64.7154.4176.128.5-35.1000111.7
90P89.5Confident89Confident82 Ų8274 Ų7453%0.53237%0.372SS..PPolyproline II helixtrans-57.9147.2173.3-23.333.6000113.3
91T91.3Very high89.1Confident60 Ų6073.4 Ų73.437%0.36837%0.371SS..  trans-121.5168.5177.5670000110.3T93 M94 T95T91-T93 PolarHBondContact O-N 2.91Å; T91-T93 PolarHBondContact OG1-OG1 2.76Å; T91-M94 PolarHBondContact N-O 3.38Å; T91-M94 VanDerWaalsContact N-O 3.12Å; T91-M94 CarbonylContact O-C 3.58Å; T91-M94 PolarHBondContact O-N 3.03Å; T91-M94 WeakPolarHBondContact OG1-CB 3.46Å; T91-M94 PolarHBondContact OG1-N 3.35Å; T91-M94 VanDerWaalsContact OG1-N 3.1Å; T91-T95 WeakPolarHBondContact O-CA 3.45Å; T91-T95 PolarHBondContact O-N 3.32Å
92K91.2Very high88.9Confident207 Ų20768 Ų6890%0.935%0.347SS*.SBendtrans-62.9-27.2177.3-66.6-175.5178.8-178.50113.6
93T91.6Very high88.9Confident123 Ų12367.7 Ų67.776%0.75535%0.345SS*.SBendtrans-86.3-31.217653.40000112.4T91T91-T93 PolarHBondContact O-N 2.91Å; T91-T93 PolarHBondContact OG1-OG1 2.76Å
94M91.3Very high89.1Confident75 Ų7571.8 Ų71.837%0.36937%0.366SS..SBendtrans-115.776.3177.5-58.5-61-70.200108.8T91 F96 G97 W98T91-M94 PolarHBondContact N-O 3.38Å; T91-M94 VanDerWaalsContact N-O 3.12Å; T91-M94 CarbonylContact O-C 3.58Å; T91-M94 PolarHBondContact O-N 3.03Å; T91-M94 WeakPolarHBondContact OG1-CB 3.46Å; T91-M94 PolarHBondContact OG1-N 3.35Å; T91-M94 VanDerWaalsContact OG1-N 3.1Å; M94-F96 PolarHBondContact O-N 3.21Å; M94-G97 WeakPolarHBondContact O-CA 3.36Å; M94-G97 PolarHBondContact O-N 2.87Å; M94-W98 HydrophobicContact CG-CD2 4.37Å; M94-W98 HydrophobicContact CG-CH2 4.32Å; M94-W98 HydrophobicContact CG-CZ2 3.82Å
95T89.4Confident89.1Confident103 Ų10366.1 Ų66.163%0.63235%0.346SS*.THydrogen-bonded Turntrans-64.8-35.4-169.250.10000113.5T91 G97T91-T95 WeakPolarHBondContact O-CA 3.45Å; T91-T95 PolarHBondContact O-N 3.32Å; T95-G97 VanDerWaalsContact C-N 3.28Å
96F86.9Confident88.9Confident107 Ų10764.9 Ų64.947%0.46934%0.34SS..THydrogen-bonded Turntrans-84.21.2172.3-68.6-68.5000113.6M94 H99 L293 L299M94-F96 PolarHBondContact O-N 3.21Å; F96-H99 PolarHBondContact O-CD2 2.69Å; F96-H99 VanDerWaalsContact O-CD2 3.27Å; F96-L293 HydrophobicContact CB-CD1 3.87Å; F96-L293 HydrophobicContact CB-CD2 4.45Å; F96-L293 HydrophobicContact CD1-CD1 4.31Å; F96-L293 HydrophobicContact CG-CD1 4.25Å; F96-L299 HydrophobicContact CD1-CD2 3.95Å; F96-L299 HydrophobicContact CE1-CD2 3.62Å; F96-L299 HydrophobicContact CZ-CD2 4.25Å
97G90.6Very high89Confident8 Ų867.4 Ų67.48%0.08235%0.351CS..  trans83.8-168.4-175.100000114.3M94 T95M94-G97 WeakPolarHBondContact O-CA 3.36Å; M94-G97 PolarHBondContact O-N 2.87Å; T95-G97 VanDerWaalsContact C-N 3.28Å
98W90.2Very high89.3Confident82 Ų8267.7 Ų67.731%0.31135%0.345SS..SBendtrans-98.617.3-170.5-72.386.7000113.3I85 S86 R88 M94 R100 S101I85-W98 HydrophobicContact CG2-CB 3.88Å; I85-W98 HydrophobicContact CG2-CD2 3.89Å; I85-W98 HydrophobicContact CG2-CE3 3.41Å; I85-W98 VanDerWaalsContact CG2-CE3 3.41Å; I85-W98 HydrophobicContact CG2-CG 4.11Å; I85-W98 HydrophobicContact CG2-CZ3 4.22Å; I85-W98 WeakPolarHBondContact O-CB 3.06Å; S86-W98 WeakPolarHBondContact CA-O 3.45Å; R88-W98 HydrophobicContact CB-CG 4.41Å; M94-W98 HydrophobicContact CG-CD2 4.37Å; M94-W98 HydrophobicContact CG-CH2 4.32Å; M94-W98 HydrophobicContact CG-CZ2 3.82Å; W98-R100 VanDerWaalsContact C-N 3.34Å; W98-R100 PolarHBondContact O-N 3.39Å; W98-S101 VanDerWaalsContact O-CB 3.24Å; W98-S101 WeakPolarHBondContact O-CB 3.41Å; W98-S101 PolarHBondContact O-N 3.31Å; W98-S101 PolarHBondContact O-OG 3.22Å
99H86.4Confident89.3Confident34 Ų3463 Ų6316%0.15733%0.328CS..THydrogen-bonded Turntrans-62.5-34.9-170-62-49.3000114S86 F96 S101 E102 T294 Q297S86-H99 PolarHBondContact O-ND1 3.36Å; F96-H99 PolarHBondContact O-CD2 2.69Å; F96-H99 VanDerWaalsContact O-CD2 3.27Å; H99-S101 PolarHBondContact O-N 3.39Å; H99-S101 VanDerWaalsContact O-N 3.07Å; H99-E102 PolarHBondContact O-N 3Å; H99-T294 HydrophobicContact CB-CG2 3.79Å; H99-T294 VanDerWaalsContact O-CG2 3.31Å; H99-T294 WeakPolarHBondContact O-CG2 3.34Å; H99-Q297 PolarHBondContact CD2-OE1 2.85Å
100R90.3Very high89.3Confident79 Ų7958.2 Ų58.230%0.29830%0.298SS..THydrogen-bonded Turntrans-62.9-14.2175.1-72.8-172.2177.5175.15.7113.8W98 E102 I103 L104 E261 L293W98-R100 VanDerWaalsContact C-N 3.34Å; W98-R100 PolarHBondContact O-N 3.39Å; R100-E102 PolarHBondContact O-N 3.41Å; R100-I103 WeakPolarHBondContact O-CB 3.12Å; R100-I103 PolarHBondContact O-N 2.85Å; R100-L104 PolarHBondContact O-N 3.18Å; R100-L104 VanDerWaalsContact O-N 3.09Å; R100-E261 IonicContact CZ-OE1 2.71Å; R100-E261 IonicContact NH1-OE1 3.93Å; R100-E261 PolarHBondContact NH1-OE1 3.29Å; R100-E261 IonicContact NH2-OE1 3.39Å; R100-E261 PolarHBondContact NH2-OE1 3.34Å; R100-L293 HydrophobicContact CG-CD2 4.05Å
101S90.1Very high89.3Confident17 Ų1756.8 Ų56.812%0.11929%0.285CS..Hα-helixtrans-62.8-29.2175.964.80000113.1S82 I85 S86 W98 H99 I103 L104 G105S82-S101 WeakPolarHBondContact CB-O 3.42Å; S82-S101 PolarHBondContact O-OG 3.12Å; S82-S101 VanDerWaalsContact O-OG 3.13Å; I85-S101 WeakPolarHBondContact CG2-OG 3.19Å; S86-S101 WeakPolarHBondContact CA-OG 3.43Å; S86-S101 PolarHBondContact N-OG 3.19Å; S86-S101 VanDerWaalsContact N-OG 3.14Å; W98-S101 VanDerWaalsContact O-CB 3.24Å; W98-S101 WeakPolarHBondContact O-CB 3.41Å; W98-S101 PolarHBondContact O-N 3.31Å; W98-S101 PolarHBondContact O-OG 3.22Å; H99-S101 PolarHBondContact O-N 3.39Å; H99-S101 VanDerWaalsContact O-N 3.07Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.03Å; S101-L104 PolarHBondContact O-N 2.92Å; S101-G105 PolarHBondContact O-N 3.35Å
102E86.9Confident89.1Confident7 Ų755.8 Ų55.83%0.03328%0.28CS..Hα-helixtrans-62-42.5173.8-63.7-176.2-166.700111.5L83 S86 H99 R100 G105 A106L83-E102 HydrophobicContact CD2-CG 4.13Å; S86-E102 WeakPolarHBondContact CB-OE1 3.37Å; S86-E102 PolarHBondContact OG-OE1 3.24Å; H99-E102 PolarHBondContact O-N 3Å; R100-E102 PolarHBondContact O-N 3.41Å; E102-G105 PolarHBondContact O-N 3.32Å; E102-A106 WeakPolarHBondContact O-CB 3.27Å; E102-A106 PolarHBondContact O-N 3.41Å
103I89.6Confident88.8Confident0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-67.9-42.2179.9-53.5-55.4000110.2R100 S101 A106 F107 T197 V255 I258 L259R100-I103 WeakPolarHBondContact O-CB 3.12Å; R100-I103 PolarHBondContact O-N 2.85Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.03Å; I103-A106 PolarHBondContact O-N 2.88Å; I103-F107 PolarHBondContact O-N 2.95Å; I103-T197 HydrophobicContact CD1-CG2 3.86Å; I103-V255 HydrophobicContact CG2-CB 4.3Å; I103-V255 HydrophobicContact CG2-CG1 3.69Å; I103-V255 HydrophobicContact CG2-CG2 4.41Å; I103-I258 HydrophobicContact CD1-CD1 3.82Å; I103-I258 HydrophobicContact CD1-CG2 4.33Å; I103-I258 HydrophobicContact CG1-CG2 3.93Å; I103-I258 HydrophobicContact CG2-CB 4.31Å; I103-I258 HydrophobicContact CG2-CG2 4.24Å; I103-L259 HydrophobicContact CG2-CD2 3.93Å; I103-L259 HydrophobicContact CG2-CG 3.93Å
104L90.7Very high88.8Confident91 Ų9144.8 Ų44.848%0.47622%0.22SC..Hα-helixtrans-65.7-39.5175.4-171.765000112.1R100 S101 F107 I108R100-L104 PolarHBondContact O-N 3.18Å; R100-L104 VanDerWaalsContact O-N 3.09Å; S101-L104 PolarHBondContact O-N 2.92Å; L104-F107 WeakPolarHBondContact O-CB 3.29Å; L104-F107 PolarHBondContact O-N 3.34Å; L104-I108 HydrophobicContact CG-CD1 4.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 3.46Å
105G89.2Confident88.7Confident3 Ų346.9 Ų46.93%0.03123%0.231CC..Hα-helixtrans-60.4-47.5173.400000111.7S101 E102 F107 I108 S109S101-G105 PolarHBondContact O-N 3.35Å; E102-G105 PolarHBondContact O-N 3.32Å; G105-F107 VanDerWaalsContact C-N 3.32Å; G105-F107 PolarHBondContact O-N 3.2Å; G105-I108 PolarHBondContact O-N 3.4Å; G105-S109 PolarHBondContact O-N 2.81Å; G105-S109 PolarHBondContact O-OG 3.19Å
106A86.2Confident88.6Confident0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-60.3-40.1175.600000112.4E102 I103 S109 V110 T197 A201 V255E102-A106 WeakPolarHBondContact O-CB 3.27Å; E102-A106 PolarHBondContact O-N 3.41Å; I103-A106 PolarHBondContact O-N 2.88Å; A106-S109 PolarHBondContact O-N 2.79Å; A106-V110 WeakPolarHBondContact O-CG2 3.5Å; A106-V110 PolarHBondContact O-N 3.42Å; A106-T197 HydrophobicContact CB-CG2 4.08Å; A106-A201 HydrophobicContact CB-CB 4.07Å; A106-V255 HydrophobicContact CB-CG2 4.34Å
107F90Very high88.6Confident53 Ų5338.5 Ų38.523%0.23219%0.189CC..Hα-helixtrans-58.1-50.6173.8-179-104.8000111.8I103 L104 G105 S109 V110 M111 L252 V255 F256I103-F107 PolarHBondContact O-N 2.95Å; L104-F107 WeakPolarHBondContact O-CB 3.29Å; L104-F107 PolarHBondContact O-N 3.34Å; G105-F107 VanDerWaalsContact C-N 3.32Å; G105-F107 PolarHBondContact O-N 3.2Å; F107-S109 VanDerWaalsContact C-N 3.33Å; F107-S109 PolarHBondContact O-N 2.8Å; F107-V110 PolarHBondContact O-N 3.16Å; F107-M111 HydrophobicContact CD1-CG 4.27Å; F107-M111 HydrophobicContact CE1-CG 3.9Å; F107-M111 HydrophobicContact CE2-CE 4.48Å; F107-M111 HydrophobicContact CE2-CG 4.27Å; F107-M111 HydrophobicContact CE2-SD 4.38Å; F107-M111 HydrophobicContact CZ-CG 3.89Å; F107-M111 HydrophobicContact CZ-SD 4.1Å; F107-M111 WeakPolarHBondContact O-CG 3.35Å; F107-M111 PolarHBondContact O-N 3.47Å; F107-L252 HydrophobicContact CD2-CD1 3.69Å; F107-L252 HydrophobicContact CE2-CD1 3.65Å; F107-V255 HydrophobicContact CB-CG1 3.84Å; F107-V255 HydrophobicContact CD2-CG1 4.1Å; F107-V255 HydrophobicContact CG-CG1 4.42Å; F107-F256 HydrophobicContact CE2-CE1 4.25Å; F107-F256 AromaticContact CE2-CE2 3.99Å; F107-F256 HydrophobicContact CE2-CE2 3.99Å; F107-F256 AromaticContact CE2-CZ 3.62Å; F107-F256 HydrophobicContact CE2-CZ 3.62Å; F107-F256 HydrophobicContact CZ-CZ 4.27Å
108I89.9Confident88.6Confident83 Ų8340 Ų4043%0.42620%0.204SC..Hα-helixtrans-61.2-43.1179.9-67.8166.7000110.7V78 L104 G105 V110 M111 S112V78-I108 HydrophobicContact CG1-CB 4.03Å; V78-I108 HydrophobicContact CG1-CG2 3.89Å; V78-I108 HydrophobicContact CG2-CG2 4.3Å; L104-I108 HydrophobicContact CG-CD1 4.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 3.46Å; G105-I108 PolarHBondContact O-N 3.4Å; I108-V110 PolarHBondContact O-N 2.84Å; I108-M111 PolarHBondContact O-N 3.12Å; I108-S112 PolarHBondContact O-N 3.5Å
109S87.4Confident88.6Confident6 Ų639.8 Ų39.84%0.04221%0.212CC..Hα-helixtrans-60-45.4176.3-62.70000111.8S75 G105 A106 F107 M111 S112 I113S75-S109 PolarHBondContact O-OG 3.32Å; G105-S109 PolarHBondContact O-N 2.81Å; G105-S109 PolarHBondContact O-OG 3.19Å; A106-S109 PolarHBondContact O-N 2.79Å; F107-S109 VanDerWaalsContact C-N 3.33Å; F107-S109 PolarHBondContact O-N 2.8Å; S109-M111 PolarHBondContact O-N 3.3Å; S109-S112 WeakPolarHBondContact O-CB 3.33Å; S109-S112 PolarHBondContact O-N 2.84Å; S109-I113 WeakPolarHBondContact O-CG1 3.34Å; S109-I113 PolarHBondContact O-N 3.31Å; S109-I113 VanDerWaalsContact O-N 3.11Å
110V87.3Confident88.5Confident3 Ų340.2 Ų40.22%0.01822%0.215CC..Hα-helixtrans-63.4-39.9177172.20000111.9A106 F107 I108 S112 I113 W114 I251 L252A106-V110 WeakPolarHBondContact O-CG2 3.5Å; A106-V110 PolarHBondContact O-N 3.42Å; F107-V110 PolarHBondContact O-N 3.16Å; I108-V110 PolarHBondContact O-N 2.84Å; V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 PolarHBondContact O-N 3.47Å; V110-I113 WeakPolarHBondContact O-CB 3.35Å; V110-I113 PolarHBondContact O-N 3.34Å; V110-W114 PolarHBondContact O-N 3.19Å; V110-W114 VanDerWaalsContact O-N 3.16Å; V110-I251 HydrophobicContact CG2-CG2 4.11Å; V110-L252 HydrophobicContact CG1-CB 4.49Å; V110-L252 HydrophobicContact CG1-CD1 4.41Å
111M90Very high88.5Confident52 Ų5238.2 Ų38.226%0.25621%0.212SC..Hα-helixtrans-64.3-37.5175-67-6394.800112.1F107 I108 S109 I113 W114 I115 L252F107-M111 HydrophobicContact CD1-CG 4.27Å; F107-M111 HydrophobicContact CE1-CG 3.9Å; F107-M111 HydrophobicContact CE2-CE 4.48Å; F107-M111 HydrophobicContact CE2-CG 4.27Å; F107-M111 HydrophobicContact CE2-SD 4.38Å; F107-M111 HydrophobicContact CZ-CG 3.89Å; F107-M111 HydrophobicContact CZ-SD 4.1Å; F107-M111 WeakPolarHBondContact O-CG 3.35Å; F107-M111 PolarHBondContact O-N 3.47Å; I108-M111 PolarHBondContact O-N 3.12Å; S109-M111 PolarHBondContact O-N 3.3Å; M111-I113 VanDerWaalsContact C-N 3.33Å; M111-I113 PolarHBondContact O-N 2.93Å; M111-W114 HydrophobicContact CE-CD2 4.19Å; M111-W114 HydrophobicContact CE-CE3 4.27Å; M111-W114 PolarHBondContact O-N 2.66Å; M111-I115 WeakPolarHBondContact O-CG1 3.37Å; M111-I115 PolarHBondContact O-N 2.99Å; M111-L252 HydrophobicContact CE-CD1 3.84Å; M111-L252 HydrophobicContact CE-CD2 3.99Å
112S87.1Confident88.6Confident38 Ų3844.3 Ų44.327%0.26623%0.233SC..Hα-helixtrans-59.4-44.2173.3-168.50000111.6I108 S109 V110 W114 I115 V116I108-S112 PolarHBondContact O-N 3.5Å; S109-S112 WeakPolarHBondContact O-CB 3.33Å; S109-S112 PolarHBondContact O-N 2.84Å; V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 PolarHBondContact O-N 3.47Å; S112-W114 VanDerWaalsContact C-N 3.31Å; S112-W114 PolarHBondContact O-N 3.35Å; S112-I115 PolarHBondContact O-N 3.36Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 2.81Å
113I84.8Confident88.6Confident19 Ų1946.6 Ų46.610%0.09725%0.245CC..Hα-helixtrans-58-44.9176.7-64168.5000110.9S109 V110 M111 I115 V116 T117 H205 V244 T248S109-I113 WeakPolarHBondContact O-CG1 3.34Å; S109-I113 PolarHBondContact O-N 3.31Å; S109-I113 VanDerWaalsContact O-N 3.11Å; V110-I113 WeakPolarHBondContact O-CB 3.35Å; V110-I113 PolarHBondContact O-N 3.34Å; M111-I113 VanDerWaalsContact C-N 3.33Å; M111-I113 PolarHBondContact O-N 2.93Å; I113-I115 VanDerWaalsContact C-N 3.35Å; I113-I115 PolarHBondContact O-N 3.34Å; I113-V116 PolarHBondContact O-N 2.99Å; I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.5Å; I113-T117 PolarHBondContact O-N 3.27Å; I113-T117 PolarHBondContact O-OG1 3.12Å; I113-H205 HydrophobicContact CD1-CB 4.24Å; I113-H205 WeakPolarHBondContact CD1-ND1 3.36Å; I113-H205 WeakPolarHBondContact CG1-ND1 3.49Å; I113-V244 HydrophobicContact CG2-CG1 3.36Å; I113-T248 HydrophobicContact CD1-CG2 4.14Å; I113-T248 HydrophobicContact CG2-CG2 4.24Å
114W89.9Confident88.4Confident81 Ų8146.7 Ų46.731%0.30725%0.246SC..Hα-helixtrans-65.3-38.9-179.2-77.728.1000112.4V110 M111 S112 G118 L245 T248 L249 L252V110-W114 PolarHBondContact O-N 3.19Å; V110-W114 VanDerWaalsContact O-N 3.16Å; M111-W114 HydrophobicContact CE-CD2 4.19Å; M111-W114 HydrophobicContact CE-CE3 4.27Å; M111-W114 PolarHBondContact O-N 2.66Å; S112-W114 VanDerWaalsContact C-N 3.31Å; S112-W114 PolarHBondContact O-N 3.35Å; W114-G118 PolarHBondContact O-N 3.05Å; W114-L245 HydrophobicContact CD2-CD2 4.01Å; W114-L245 HydrophobicContact CG-CD2 4.2Å; W114-L245 HydrophobicContact CZ2-CD2 4.26Å; W114-T248 PolarHBondContact NE1-OG1 3.48Å; W114-L249 HydrophobicContact CH2-CD2 3.62Å; W114-L249 HydrophobicContact CH2-CG 4.39Å; W114-L249 HydrophobicContact CZ2-CD2 3.6Å; W114-L249 HydrophobicContact CZ2-CG 3.93Å; W114-L252 HydrophobicContact CH2-CD2 3.84Å; W114-L252 HydrophobicContact CZ2-CD2 3.9Å
115I90.8Very high88.4Confident118 Ų11846.2 Ų46.261%0.60524%0.243SC*.Hα-helixtrans-62.4-50.3175.4-68166.7000109.9M111 S112 I113 G118 V119M111-I115 WeakPolarHBondContact O-CG1 3.37Å; M111-I115 PolarHBondContact O-N 2.99Å; S112-I115 PolarHBondContact O-N 3.36Å; I113-I115 VanDerWaalsContact C-N 3.35Å; I113-I115 PolarHBondContact O-N 3.34Å; I115-G118 PolarHBondContact O-N 2.87Å; I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.29Å
116V86Confident88.3Confident24 Ų2448.3 Ų48.315%0.14525%0.252CS..Hα-helixtrans-61.6-46.8179.6174.70000111.1T71 S112 I113 G118 V119 L120T71-V116 HydrophobicContact CG2-CG2 3.69Å; T71-V116 WeakPolarHBondContact OG1-CG2 3.31Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 2.81Å; I113-V116 PolarHBondContact O-N 2.99Å; V116-G118 VanDerWaalsContact C-N 3.31Å; V116-G118 PolarHBondContact O-N 3.26Å; V116-V119 WeakPolarHBondContact O-CB 3.44Å; V116-V119 PolarHBondContact O-N 3.07Å; V116-V119 VanDerWaalsContact O-N 3.12Å; V116-L120 HydrophobicContact CG1-CD1 4.29Å; V116-L120 HydrophobicContact CG1-CG 4.46Å; V116-L120 WeakPolarHBondContact O-CG 3.47Å; V116-L120 PolarHBondContact O-N 3.17Å
117T87.6Confident88.2Confident10 Ų1052 Ų526%0.06127%0.266CS..Hα-helixtrans-57.9-44.6176.5-56.80000110.9I113 V119 L120 V121I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.5Å; I113-T117 PolarHBondContact O-N 3.27Å; I113-T117 PolarHBondContact O-OG1 3.12Å; T117-V119 VanDerWaalsContact C-N 3.33Å; T117-V119 PolarHBondContact O-N 2.93Å; T117-L120 PolarHBondContact O-N 3.38Å; T117-V121 HydrophobicContact CG2-CG2 4.44Å; T117-V121 WeakPolarHBondContact O-CB 3.46Å; T117-V121 VanDerWaalsContact O-CG2 3.29Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.41Å
118G91.3Very high88.1Confident40 Ų4052.4 Ų52.441%0.41227%0.27SS..Hα-helixtrans-60.6-40.6176.300000113W114 I115 V116 Y122W114-G118 PolarHBondContact O-N 3.05Å; I115-G118 PolarHBondContact O-N 2.87Å; V116-G118 VanDerWaalsContact C-N 3.31Å; V116-G118 PolarHBondContact O-N 3.26Å; G118-Y122 WeakPolarHBondContact O-CB 3.41Å; G118-Y122 PolarHBondContact O-N 3Å
119V88.8Confident88.1Confident78 Ų7853.7 Ų53.747%0.47328%0.281SS..Hα-helixtrans-64.3-45.4174.3172.90000111.1I115 V116 T117 V121 Y122 L123I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.29Å; V116-V119 WeakPolarHBondContact O-CB 3.44Å; V116-V119 PolarHBondContact O-N 3.07Å; V116-V119 VanDerWaalsContact O-N 3.12Å; T117-V119 VanDerWaalsContact C-N 3.33Å; T117-V119 PolarHBondContact O-N 2.93Å; V119-V121 PolarHBondContact O-N 3.17Å; V119-Y122 WeakPolarHBondContact O-CB 3.19Å; V119-Y122 PolarHBondContact O-N 3.28Å; V119-L123 HydrophobicContact CG1-CD1 4.05Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 3.48Å
120L85.5Confident88Confident43 Ų4361.3 Ų61.323%0.22531%0.309CS..Hα-helixtrans-62.7-42.7178.1-67.6176.7000112.4V116 T117 Y122 L123 A124 T237V116-L120 HydrophobicContact CG1-CD1 4.29Å; V116-L120 HydrophobicContact CG1-CG 4.46Å; V116-L120 WeakPolarHBondContact O-CG 3.47Å; V116-L120 PolarHBondContact O-N 3.17Å; T117-L120 PolarHBondContact O-N 3.38Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; L120-Y122 PolarHBondContact O-N 3.41Å; L120-L123 PolarHBondContact O-N 2.96Å; L120-A124 WeakPolarHBondContact O-CB 3.49Å; L120-A124 PolarHBondContact O-N 3.47Å; L120-T237 HydrophobicContact CB-CG2 4.07Å
121V90.4Very high87.6Confident36 Ų3667 Ų6722%0.21834%0.34CS..Hα-helixtrans-60.4-45.1174.4169.10000110.7T117 V119 A124 I125 F238 S241T117-V121 HydrophobicContact CG2-CG2 4.44Å; T117-V121 WeakPolarHBondContact O-CB 3.46Å; T117-V121 VanDerWaalsContact O-CG2 3.29Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.41Å; V119-V121 PolarHBondContact O-N 3.17Å; V121-A124 PolarHBondContact O-N 3.17Å; V121-I125 HydrophobicContact CG1-CD1 3.99Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.17Å; V121-I125 PolarHBondContact O-N 3.28Å; V121-F238 HydrophobicContact CG1-CD1 4.26Å; V121-F238 HydrophobicContact CG1-CE1 3.9Å; V121-S241 VanDerWaalsContact CG2-CB 3.49Å; V121-S241 WeakPolarHBondContact CG2-OG 3.44Å
122Y91Very high86.7Confident145 Ų14569.3 Ų69.357%0.56935%0.353SS*.Hα-helixtrans-59.7-47.9176.4174.5-96.1000111.8G118 V119 L120 A124 I125 E126G118-Y122 WeakPolarHBondContact O-CB 3.41Å; G118-Y122 PolarHBondContact O-N 3Å; V119-Y122 WeakPolarHBondContact O-CB 3.19Å; V119-Y122 PolarHBondContact O-N 3.28Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; L120-Y122 PolarHBondContact O-N 3.41Å; Y122-A124 VanDerWaalsContact C-N 3.33Å; Y122-A124 PolarHBondContact O-N 2.94Å; Y122-I125 PolarHBondContact O-N 3.04Å; Y122-E126 PolarHBondContact O-N 3.01Å
123L86.7Confident85.7Confident55 Ų5568.5 Ų68.529%0.28834%0.344SS..Hα-helixtrans-62.8-38177.1-68.1174.7000112V119 L120 E126 R127V119-L123 HydrophobicContact CG1-CD1 4.05Å; V119-L123 HydrophobicContact CG1-CG 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 3.48Å; L120-L123 PolarHBondContact O-N 2.96Å; L123-E126 PolarHBondContact O-N 3.46Å; L123-R127 VanDerWaalsContact O-CG 3.31Å; L123-R127 WeakPolarHBondContact O-CG 3.49Å; L123-R127 PolarHBondContact O-N 2.89Å
124A85.8Confident84.4Confident3 Ų376.5 Ų76.53%0.02538%0.381CS..Hα-helixtrans-65-41175.900000112.1L120 V121 Y122 I128 P234 T237 F238L120-A124 WeakPolarHBondContact O-CB 3.49Å; L120-A124 PolarHBondContact O-N 3.47Å; V121-A124 PolarHBondContact O-N 3.17Å; Y122-A124 VanDerWaalsContact C-N 3.33Å; Y122-A124 PolarHBondContact O-N 2.94Å; A124-I128 WeakPolarHBondContact O-CG1 3.25Å; A124-I128 PolarHBondContact O-N 3.12Å; A124-P234 HydrophobicContact CB-CB 4.22Å; A124-T237 HydrophobicContact CB-CG2 4Å; A124-F238 HydrophobicContact CB-CE2 4.45Å; A124-F238 HydrophobicContact CB-CZ 4.27Å
125I90.1Very high83.2Confident80 Ų8074.2 Ų74.241%0.4138%0.375SS..Hα-helixtrans-63-46.4173.2-66.7166.2000110.1V121 Y122 R127 I128 V129 F238V121-I125 HydrophobicContact CG1-CD1 3.99Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.17Å; V121-I125 PolarHBondContact O-N 3.28Å; Y122-I125 PolarHBondContact O-N 3.04Å; I125-R127 VanDerWaalsContact C-N 3.34Å; I125-R127 PolarHBondContact O-N 3.29Å; I125-I128 PolarHBondContact O-N 3.38Å; I125-I128 VanDerWaalsContact O-N 3.17Å; I125-V129 HydrophobicContact CG2-CG2 4.22Å; I125-V129 WeakPolarHBondContact O-CG2 3.35Å; I125-V129 PolarHBondContact O-N 3.41Å; I125-F238 HydrophobicContact CD1-CE1 4.29Å; I125-F238 HydrophobicContact CG1-CE1 3.78Å; I125-F238 HydrophobicContact CG1-CZ 3.57Å
126E88Confident82.2Confident47 Ų4775.3 Ų75.322%0.2238%0.377CS..Hα-helixtrans-59.4-43.2179.5-171.9177.4-149.800111.8Y122 L123 I128 V129 R130Y122-E126 PolarHBondContact O-N 3.01Å; L123-E126 PolarHBondContact O-N 3.46Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.87Å; E126-V129 PolarHBondContact O-N 2.95Å; E126-R130 HydrophobicContact CG-CG 4.48Å; E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 PolarHBondContact O-N 3.38Å; E126-R130 IonicContact OE1-CZ 2.63Å; E126-R130 IonicContact OE1-NE 3.57Å; E126-R130 IonicContact OE1-NH1 2.76Å; E126-R130 PolarHBondContact OE1-NH1 2.89Å; E126-R130 IonicContact OE1-NH2 2.63Å; E126-R130 PolarHBondContact OE1-NH2 3.37Å
127R83.9Confident81.5Confident78 Ų7874.8 Ų74.829%0.29438%0.377SS..Hα-helixtrans-57.6-43.2174.2-75.3174.6-175.7-179.74.2112.2L123 I125 N131 Y133 D233 P234L123-R127 VanDerWaalsContact O-CG 3.31Å; L123-R127 WeakPolarHBondContact O-CG 3.49Å; L123-R127 PolarHBondContact O-N 2.89Å; I125-R127 VanDerWaalsContact C-N 3.34Å; I125-R127 PolarHBondContact O-N 3.29Å; R127-N131 PolarHBondContact O-N 2.91Å; R127-N131 VanDerWaalsContact O-N 3.17Å; R127-Y133 HydrophobicContact CB-CE1 4.26Å; R127-D233 IonicContact CZ-OD2 2.69Å; R127-D233 IonicContact NH1-OD2 3.8Å; R127-D233 PolarHBondContact NH1-OD2 3.22Å; R127-P234 HydrophobicContact CB-CG 4.47Å
128I87.1Confident81.3Confident62 Ų6280 Ų8032%0.31840%0.4SS..Hα-helixtrans-66.2-47.1177.3-67.6166.5000111.6A124 I125 E126 R130 N131 Y133 P234 F238A124-I128 WeakPolarHBondContact O-CG1 3.25Å; A124-I128 PolarHBondContact O-N 3.12Å; I125-I128 PolarHBondContact O-N 3.38Å; I125-I128 VanDerWaalsContact O-N 3.17Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.87Å; I128-R130 PolarHBondContact O-N 2.94Å; I128-N131 PolarHBondContact O-N 3.35Å; I128-Y133 WeakPolarHBondContact CA-OH 3.45Å; I128-P234 HydrophobicContact CD1-CB 3.61Å; I128-P234 HydrophobicContact CD1-CG 4.35Å; I128-P234 HydrophobicContact CG1-CB 3.77Å; I128-P234 HydrophobicContact CG1-CG 3.95Å; I128-F238 HydrophobicContact CD1-CE2 3.69Å; I128-F238 HydrophobicContact CD1-CZ 4.27Å
129V89.9Confident80.7Confident109 Ų10979.2 Ų79.266%0.66139%0.387SS*.Hα-helixtrans-68.1-38.7-175172.60000111.5I125 E126I125-V129 HydrophobicContact CG2-CG2 4.22Å; I125-V129 WeakPolarHBondContact O-CG2 3.35Å; I125-V129 PolarHBondContact O-N 3.41Å; E126-V129 PolarHBondContact O-N 2.95Å
130R86.1Confident80.4Confident166 Ų16676.2 Ų76.263%0.62637%0.368SS*.Hα-helixtrans-84.2-10.7-178.7-67.1-170.8177.8153.814.7114.1E126 I128 D132E126-R130 HydrophobicContact CG-CG 4.48Å; E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 PolarHBondContact O-N 3.38Å; E126-R130 IonicContact OE1-CZ 2.63Å; E126-R130 IonicContact OE1-NE 3.57Å; E126-R130 IonicContact OE1-NH1 2.76Å; E126-R130 PolarHBondContact OE1-NH1 2.89Å; E126-R130 IonicContact OE1-NH2 2.63Å; E126-R130 PolarHBondContact OE1-NH2 3.37Å; I128-R130 PolarHBondContact O-N 2.94Å; R130-D132 HydrophobicContact CB-CB 4.15Å; R130-D132 PolarHBondContact O-N 2.97Å; R130-D132 VanDerWaalsContact O-N 3.1Å
131N78.1Confident80.4Confident123 Ų12376.7 Ų76.766%0.65837%0.371SS*.THydrogen-bonded Turntrans51.224.7-170.1-71.5-66.6000113.6R127 I128 Y133R127-N131 PolarHBondContact O-N 2.91Å; R127-N131 VanDerWaalsContact O-N 3.17Å; I128-N131 PolarHBondContact O-N 3.35Å; N131-Y133 HydrophobicContact CB-CE2 4.33Å; N131-Y133 WeakPolarHBondContact O-CD2 3.39Å; N131-Y133 PolarHBondContact O-N 3.44Å
132D71Confident80.1Confident100 Ų10078 Ų7854%0.53538%0.379SS..  trans-92.591.9-178.1-172.46.9000109.1R130R130-D132 HydrophobicContact CB-CB 4.15Å; R130-D132 PolarHBondContact O-N 2.97Å; R130-D132 VanDerWaalsContact O-N 3.1Å
133Y67.1Low79.7Confident22 Ų2272.2 Ų72.29%0.08636%0.358CS..  trans-119.248.3-178.1-54.1-79.9000110.7R127 I128 N131 I135 K230 P234R127-Y133 HydrophobicContact CB-CE1 4.26Å; I128-Y133 WeakPolarHBondContact CA-OH 3.45Å; N131-Y133 HydrophobicContact CB-CE2 4.33Å; N131-Y133 WeakPolarHBondContact O-CD2 3.39Å; N131-Y133 PolarHBondContact O-N 3.44Å; Y133-I135 PolarHBondContact O-N 3.29Å; Y133-K230 HydrophobicContact CD1-CB 3.99Å; Y133-K230 HydrophobicContact CD2-CB 4.25Å; Y133-K230 HydrophobicContact CD2-CD 4.49Å; Y133-K230 HydrophobicContact CG-CB 3.8Å; Y133-K230 HydrophobicContact CG-CD 4.1Å; Y133-K230 WeakPolarHBondContact O-CD 3.34Å; Y133-K230 PolarHBondContact O-NZ 3.09Å; Y133-P234 HydrophobicContact CE1-CG 4.07Å
134E58.2Low79.6Confident187 Ų18769.7 Ų69.787%0.87435%0.346SS*.  trans-71.375.1167.2-67.5-152.816900110
135I63.7Low79.8Confident32 Ų3270.8 Ų70.816%0.16436%0.357CS..  trans-114.8113.6175-53.9173.7000107.3Y133 G137 M140Y133-I135 PolarHBondContact O-N 3.29Å; I135-G137 PolarHBondContact O-N 2.84Å; I135-M140 HydrophobicContact CG2-CB 3.96Å; I135-M140 HydrophobicContact CG2-CG 4.28Å; I135-M140 HydrophobicContact CG2-SD 3.6Å
136E69.1Low79.6Confident141 Ų14172.7 Ų72.766%0.65936%0.362SS*.  trans-67.896.9164.9-73.7-173.6178.100108.6H138 V139 M140E136-H138 PolarHBondContact O-N 2.98Å; E136-V139 HydrophobicContact CB-CB 4.18Å; E136-V139 HydrophobicContact CB-CG2 4.02Å; E136-V139 PolarHBondContact O-N 3.49Å; E136-V139 WeakPolarHBondContact OE2-CG2 3.45Å; E136-M140 PolarHBondContact O-N 3.34Å; E136-M140 VanDerWaalsContact O-N 3.12Å
137G73Confident79.5Confident13 Ų1370.7 Ų70.713%0.13435%0.354CS..Hα-helixtrans-54.6-27.9-177.100000113.8I135 L141I135-G137 PolarHBondContact O-N 2.84Å; G137-L141 VanDerWaalsContact O-CB 3.24Å; G137-L141 WeakPolarHBondContact O-CB 3.36Å; G137-L141 PolarHBondContact O-N 3.13Å
138H81.5Confident79.8Confident119 Ų11968.2 Ų68.255%0.55135%0.347SS*.Hα-helixtrans-65.3-48.7173.5177.8-88.5000112.6E136 L141 V142E136-H138 PolarHBondContact O-N 2.98Å; H138-L141 PolarHBondContact O-N 3.35Å; H138-V142 WeakPolarHBondContact O-CG2 3.4Å; H138-V142 PolarHBondContact O-N 2.97Å; H138-V142 VanDerWaalsContact O-N 3.12Å
139V80.4Confident79.9Confident24 Ų2469.6 Ų69.615%0.14536%0.355CS..Hα-helixtrans-64.2-45.6180176.20000110.1I62 E136 L141 V142 T143I62-V139 HydrophobicContact CD1-CG1 3.65Å; I62-V139 HydrophobicContact CG1-CG1 3.81Å; E136-V139 HydrophobicContact CB-CB 4.18Å; E136-V139 HydrophobicContact CB-CG2 4.02Å; E136-V139 PolarHBondContact O-N 3.49Å; E136-V139 WeakPolarHBondContact OE2-CG2 3.45Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.46Å; V139-V142 PolarHBondContact O-N 2.8Å; V139-T143 HydrophobicContact CG1-CG2 4.18Å; V139-T143 VanDerWaalsContact O-CG2 3.23Å; V139-T143 WeakPolarHBondContact O-CG2 3.49Å; V139-T143 PolarHBondContact O-N 3.31Å; V139-T143 PolarHBondContact O-OG1 3.49Å
140M81.1Confident79.8Confident15 Ų1565.2 Ų65.27%0.07433%0.328CS..Hα-helixtrans-61-39.3177.8-171.4-171.1177.400112.7I135 E136 T143 S144 V216 A220 I223 D233I135-M140 HydrophobicContact CG2-CB 3.96Å; I135-M140 HydrophobicContact CG2-CG 4.28Å; I135-M140 HydrophobicContact CG2-SD 3.6Å; E136-M140 PolarHBondContact O-N 3.34Å; E136-M140 VanDerWaalsContact O-N 3.12Å; M140-T143 PolarHBondContact O-OG1 3.26Å; M140-S144 VanDerWaalsContact O-CB 3.23Å; M140-S144 WeakPolarHBondContact O-CB 3.41Å; M140-S144 PolarHBondContact O-N 3.49Å; M140-S144 PolarHBondContact O-OG 3.1Å; M140-V216 HydrophobicContact CE-CG1 3.56Å; M140-A220 HydrophobicContact CB-CB 4.3Å; M140-A220 HydrophobicContact CE-CB 4.2Å; M140-A220 HydrophobicContact CG-CB 3.82Å; M140-A220 HydrophobicContact SD-CB 3.9Å; M140-I223 HydrophobicContact SD-CD1 4.37Å; M140-D233 HydrophobicContact CE-CB 4.14Å; M140-D233 VanDerWaalsContact CE-OD1 3.23Å; M140-D233 WeakPolarHBondContact CE-OD1 3.48Å
141L85.6Confident80Confident54 Ų5457.7 Ų57.728%0.28330%0.3SS..Hα-helixtrans-67-42.4178.1-172.3113.8000111.8G137 H138 V139 S144 G145 A220 T221G137-L141 VanDerWaalsContact O-CB 3.24Å; G137-L141 WeakPolarHBondContact O-CB 3.36Å; G137-L141 PolarHBondContact O-N 3.13Å; H138-L141 PolarHBondContact O-N 3.35Å; V139-L141 VanDerWaalsContact C-N 3.34Å; V139-L141 PolarHBondContact O-N 3.46Å; L141-S144 PolarHBondContact O-OG 2.95Å; L141-G145 PolarHBondContact O-N 3.11Å; L141-G145 VanDerWaalsContact O-N 3.11Å; L141-A220 HydrophobicContact CB-CB 4.24Å; L141-A220 HydrophobicContact CD1-CB 4.43Å; L141-T221 WeakPolarHBondContact CD1-OG1 3.4Å
142V85.3Confident80.6Confident64 Ų6456.2 Ų56.239%0.38829%0.291SS..Hα-helixtrans-65.8-47.9177.71730000110.7H138 V139 G145 F146H138-V142 WeakPolarHBondContact O-CG2 3.4Å; H138-V142 PolarHBondContact O-N 2.97Å; H138-V142 VanDerWaalsContact O-N 3.12Å; V139-V142 PolarHBondContact O-N 2.8Å; V142-G145 PolarHBondContact O-N 3.38Å; V142-F146 HydrophobicContact CG1-CD2 3.96Å; V142-F146 HydrophobicContact CG1-CE2 3.85Å; V142-F146 VanDerWaalsContact O-CD2 3.29Å; V142-F146 WeakPolarHBondContact O-CD2 3.21Å; V142-F146 PolarHBondContact O-N 3.37Å; V142-F146 VanDerWaalsContact O-N 3.14Å
143T81.8Confident81.5Confident22 Ų2255 Ų5514%0.13528%0.284CS..Hα-helixtrans-67.9-46-175.861.40000111.5I62 V139 M140 G145 F146 A147I62-T143 HydrophobicContact CD1-CG2 3.88Å; I62-T143 HydrophobicContact CG1-CG2 3.68Å; V139-T143 HydrophobicContact CG1-CG2 4.18Å; V139-T143 VanDerWaalsContact O-CG2 3.23Å; V139-T143 WeakPolarHBondContact O-CG2 3.49Å; V139-T143 PolarHBondContact O-N 3.31Å; V139-T143 PolarHBondContact O-OG1 3.49Å; M140-T143 PolarHBondContact O-OG1 3.26Å; T143-G145 VanDerWaalsContact C-N 3.29Å; T143-G145 PolarHBondContact O-N 3.19Å; T143-F146 PolarHBondContact O-N 3.42Å; T143-F146 VanDerWaalsContact O-N 3.11Å; T143-A147 PolarHBondContact O-N 3.14Å
144S85Confident82.4Confident3 Ų354 Ų542%0.02128%0.281CS..Hα-helixtrans-61.8-35.3175.859.60000113M140 L141 A147 V148 T217M140-S144 VanDerWaalsContact O-CB 3.23Å; M140-S144 WeakPolarHBondContact O-CB 3.41Å; M140-S144 PolarHBondContact O-N 3.49Å; M140-S144 PolarHBondContact O-OG 3.1Å; L141-S144 PolarHBondContact O-OG 2.95Å; S144-A147 PolarHBondContact O-N 2.88Å; S144-V148 WeakPolarHBondContact O-CG2 3.28Å; S144-V148 PolarHBondContact O-N 3.4Å; S144-T217 WeakPolarHBondContact CB-OG1 3.4Å; S144-T217 PolarHBondContact O-OG1 3.44Å; S144-T217 WeakPolarHBondContact OG-CA 3.36Å; S144-T217 PolarHBondContact OG-OG1 2.93Å
145G89Confident83.7Confident25 Ų2545.8 Ų45.826%0.25824%0.244SC..Hα-helixtrans-61.7-43.4172.500000113.1L141 V142 T143 V148 I149L141-G145 PolarHBondContact O-N 3.11Å; L141-G145 VanDerWaalsContact O-N 3.11Å; V142-G145 PolarHBondContact O-N 3.38Å; T143-G145 VanDerWaalsContact C-N 3.29Å; T143-G145 PolarHBondContact O-N 3.19Å; G145-V148 PolarHBondContact O-N 3.05Å; G145-I149 WeakPolarHBondContact O-CG1 3.45Å; G145-I149 PolarHBondContact O-N 3.41Å
146F86.9Confident84.9Confident120 Ų12052.8 Ų52.853%0.52627%0.27SS..Hα-helixtrans-65-42.5173.4-83.4-71.2000112.1F46 V142 T143 V148 I149 V150F46-F146 HydrophobicContact CE2-CB 4.09Å; F46-F146 HydrophobicContact CZ-CB 4.12Å; V142-F146 HydrophobicContact CG1-CD2 3.96Å; V142-F146 HydrophobicContact CG1-CE2 3.85Å; V142-F146 VanDerWaalsContact O-CD2 3.29Å; V142-F146 WeakPolarHBondContact O-CD2 3.21Å; V142-F146 PolarHBondContact O-N 3.37Å; V142-F146 VanDerWaalsContact O-N 3.14Å; T143-F146 PolarHBondContact O-N 3.42Å; T143-F146 VanDerWaalsContact O-N 3.11Å; F146-V148 VanDerWaalsContact C-N 3.33Å; F146-V148 PolarHBondContact O-N 3.42Å; F146-I149 PolarHBondContact O-N 2.98Å; F146-I149 VanDerWaalsContact O-N 3.15Å; F146-V150 WeakPolarHBondContact O-CG2 3.47Å; F146-V150 PolarHBondContact O-N 3.18Å
147A85Confident85.6Confident6 Ų647.6 Ų47.65%0.0525%0.247CC..Hα-helixtrans-58.3-43.3176.900000111.9T143 S144 I149 V150 N151T143-A147 PolarHBondContact O-N 3.14Å; S144-A147 PolarHBondContact O-N 2.88Å; A147-I149 PolarHBondContact O-N 2.92Å; A147-V150 PolarHBondContact O-N 3.08Å; A147-N151 WeakPolarHBondContact O-CB 3.28Å; A147-N151 PolarHBondContact O-N 2.98Å; A147-N151 PolarHBondContact O-ND2 2.95Å
148V90.1Very high85.9Confident25 Ų2547 Ų4715%0.15224%0.24CC..Hα-helixtrans-59.3-46.2174.8170.40000111.3S144 G145 F146 V150 N151 I152 L210 S213 I214 T217S144-V148 WeakPolarHBondContact O-CG2 3.28Å; S144-V148 PolarHBondContact O-N 3.4Å; G145-V148 PolarHBondContact O-N 3.05Å; F146-V148 VanDerWaalsContact C-N 3.33Å; F146-V148 PolarHBondContact O-N 3.42Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V148-V150 PolarHBondContact O-N 3.41Å; V148-N151 PolarHBondContact O-N 2.89Å; V148-I152 HydrophobicContact CG1-CD1 3.81Å; V148-I152 HydrophobicContact CG1-CG1 4.43Å; V148-I152 VanDerWaalsContact O-CG1 3.25Å; V148-I152 WeakPolarHBondContact O-CG1 3.16Å; V148-I152 PolarHBondContact O-N 2.97Å; V148-L210 HydrophobicContact CG1-CD1 4.33Å; V148-S213 VanDerWaalsContact CG2-C 3.48Å; V148-S213 WeakPolarHBondContact CG2-O 3.43Å; V148-I214 HydrophobicContact CG1-CG1 4.23Å; V148-I214 HydrophobicContact CG2-CG1 4.02Å; V148-T217 WeakPolarHBondContact CG2-OG1 3.38Å
149I90.6Very high85.6Confident92 Ų9246.1 Ų46.147%0.47224%0.236SC..Hα-helixtrans-60.1-46.1179.6-67.5167000110.7G145 F146 A147 I152 I153G145-I149 WeakPolarHBondContact O-CG1 3.45Å; G145-I149 PolarHBondContact O-N 3.41Å; F146-I149 PolarHBondContact O-N 2.98Å; F146-I149 VanDerWaalsContact O-N 3.15Å; A147-I149 PolarHBondContact O-N 2.92Å; I149-I152 PolarHBondContact O-N 3.42Å; I149-I153 HydrophobicContact CG2-CD1 4.04Å; I149-I153 WeakPolarHBondContact O-CG1 3.2Å; I149-I153 PolarHBondContact O-N 3.36Å
150V87.6Confident84.4Confident16 Ų1650.5 Ų50.510%0.09726%0.255CS..Hα-helixtrans-66.5-42.8-179.31730000111.4V42 F46 F146 A147 V148 I152 I153 M154V42-V150 HydrophobicContact CG1-CG1 4.44Å; F46-V150 HydrophobicContact CB-CG1 4.19Å; F46-V150 HydrophobicContact CB-CG2 4.4Å; F46-V150 HydrophobicContact CD1-CB 4.11Å; F46-V150 HydrophobicContact CD1-CG1 3.8Å; F46-V150 HydrophobicContact CD1-CG2 4.01Å; F46-V150 HydrophobicContact CD2-CG2 3.57Å; F46-V150 HydrophobicContact CE1-CB 4.2Å; F46-V150 HydrophobicContact CE1-CG1 4.34Å; F46-V150 HydrophobicContact CE1-CG2 4.12Å; F46-V150 HydrophobicContact CE2-CG2 3.69Å; F46-V150 HydrophobicContact CG-CB 4.28Å; F46-V150 HydrophobicContact CG-CG1 3.97Å; F46-V150 HydrophobicContact CG-CG2 3.73Å; F46-V150 HydrophobicContact CZ-CB 4.45Å; F46-V150 HydrophobicContact CZ-CG2 3.97Å; F146-V150 WeakPolarHBondContact O-CG2 3.47Å; F146-V150 PolarHBondContact O-N 3.18Å; A147-V150 PolarHBondContact O-N 3.08Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V148-V150 PolarHBondContact O-N 3.41Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 2.89Å; V150-I153 WeakPolarHBondContact O-CB 3.39Å; V150-I153 PolarHBondContact O-N 3Å; V150-I153 VanDerWaalsContact O-N 3.12Å; V150-M154 HydrophobicContact CG1-CG 4.36Å; V150-M154 HydrophobicContact CG1-SD 3.79Å; V150-M154 WeakPolarHBondContact O-CG 3.49Å; V150-M154 PolarHBondContact O-N 3.38Å
151N89.6Confident82.9Confident9 Ų951.5 Ų51.55%0.04826%0.263CS..Hα-helixtrans-64.6-33.4176.5-76-29.4000112.4A147 V148 M154 A155 D209 L210 S213A147-N151 WeakPolarHBondContact O-CB 3.28Å; A147-N151 PolarHBondContact O-N 2.98Å; A147-N151 PolarHBondContact O-ND2 2.95Å; V148-N151 PolarHBondContact O-N 2.89Å; N151-M154 PolarHBondContact O-N 3.44Å; N151-A155 WeakPolarHBondContact O-CB 3.35Å; N151-A155 PolarHBondContact O-N 2.96Å; N151-D209 PolarHBondContact ND2-O 2.94Å; N151-L210 HydrophobicContact CB-CB 3.9Å; N151-L210 HydrophobicContact CB-CD1 3.8Å; N151-L210 HydrophobicContact CB-CG 4.43Å; N151-S213 PolarHBondContact ND2-OG 3.23Å
152I91.1Very high81.2Confident91 Ų9151.4 Ų51.447%0.46727%0.265SS..Hα-helixtrans-64.2-45.6170.6-70.3167.8000110.9V148 I149 V150 A155 Y156 L210V148-I152 HydrophobicContact CG1-CD1 3.81Å; V148-I152 HydrophobicContact CG1-CG1 4.43Å; V148-I152 VanDerWaalsContact O-CG1 3.25Å; V148-I152 WeakPolarHBondContact O-CG1 3.16Å; V148-I152 PolarHBondContact O-N 2.97Å; I149-I152 PolarHBondContact O-N 3.42Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 2.89Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-Y156 WeakPolarHBondContact O-CB 3.36Å; I152-Y156 PolarHBondContact O-N 2.9Å; I152-L210 HydrophobicContact CG1-CD1 3.68Å; I152-L210 HydrophobicContact CG1-CD2 4.32Å
153I89.7Confident78.8Confident76 Ų7651.9 Ų51.939%0.3927%0.268SS..Hα-helixtrans-60.8-46.4177.3-68.3166.2000110.2V42 I149 V150 Y156 I157V42-I153 HydrophobicContact CG1-CG2 4.38Å; I149-I153 HydrophobicContact CG2-CD1 4.04Å; I149-I153 WeakPolarHBondContact O-CG1 3.2Å; I149-I153 PolarHBondContact O-N 3.36Å; V150-I153 WeakPolarHBondContact O-CB 3.39Å; V150-I153 PolarHBondContact O-N 3Å; V150-I153 VanDerWaalsContact O-N 3.12Å; I153-Y156 PolarHBondContact O-N 2.95Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.5Å; I153-I157 WeakPolarHBondContact O-CD1 3.23Å; I153-I157 VanDerWaalsContact O-CG1 3.27Å; I153-I157 WeakPolarHBondContact O-CG1 3.46Å; I153-I157 PolarHBondContact O-N 3.33Å
154M85.8Confident76.3Confident1 Ų158.3 Ų58.31%0.00530%0.301CS..Hα-helixtrans-62.7-44.5177.9-73.4174.150.200111.5V42 C43 M76 V150 N151 Y156 I157 L158 V206V42-M154 HydrophobicContact CG1-CG 4.23Å; C43-M154 HydrophobicContact CB-CE 4.33Å; C43-M154 HydrophobicContact CB-SD 4.2Å; M76-M154 HydrophobicContact CE-CE 3.34Å; M76-M154 HydrophobicContact SD-CE 4.41Å; V150-M154 HydrophobicContact CG1-CG 4.36Å; V150-M154 HydrophobicContact CG1-SD 3.79Å; V150-M154 WeakPolarHBondContact O-CG 3.49Å; V150-M154 PolarHBondContact O-N 3.38Å; N151-M154 PolarHBondContact O-N 3.44Å; M154-Y156 VanDerWaalsContact C-N 3.32Å; M154-Y156 PolarHBondContact O-N 3.39Å; M154-I157 PolarHBondContact O-N 3.13Å; M154-L158 WeakPolarHBondContact O-CB 3.08Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 VanDerWaalsContact O-N 3.13Å; M154-V206 HydrophobicContact CB-CG1 3.58Å; M154-V206 HydrophobicContact CB-CG2 4.33Å; M154-V206 HydrophobicContact CE-CG1 4.43Å; M154-V206 HydrophobicContact CE-CG2 3.65Å
155A86.9Confident73.9Confident14 Ų1465.1 Ų65.112%0.11633%0.332CS..Hα-helixtrans-60.7-42.7176.100000111N151 I152 L158 H159 V206 L210N151-A155 WeakPolarHBondContact O-CB 3.35Å; N151-A155 PolarHBondContact O-N 2.96Å; I152-A155 PolarHBondContact O-N 3.45Å; A155-L158 PolarHBondContact O-N 3.04Å; A155-H159 WeakPolarHBondContact O-CB 3.36Å; A155-H159 PolarHBondContact O-N 2.63Å; A155-V206 HydrophobicContact CB-CG1 4.1Å; A155-L210 HydrophobicContact CB-CD2 4.39Å
156Y87.1Confident71Confident178 Ų17868.9 Ų68.970%0.69835%0.352SS*.Hα-helixtrans-63.9-44.6177.5-178.8-99000112.8I152 I153 M154 L158 H159I152-Y156 WeakPolarHBondContact O-CB 3.36Å; I152-Y156 PolarHBondContact O-N 2.9Å; I153-Y156 PolarHBondContact O-N 2.95Å; M154-Y156 VanDerWaalsContact C-N 3.32Å; M154-Y156 PolarHBondContact O-N 3.39Å; Y156-L158 PolarHBondContact O-N 2.96Å; Y156-H159 PolarHBondContact O-N 2.85Å
157I85.2Confident68.6Low33 Ų3371 Ų7117%0.16936%0.363CS..Hα-helixtrans-58-38.9177.2-70.7161.2000110.9I38 A39 V42 I153 M154I38-I157 HydrophobicContact CB-CG2 4.4Å; I38-I157 HydrophobicContact CG2-CD1 4.08Å; I38-I157 HydrophobicContact CG2-CG2 4.15Å; A39-I157 HydrophobicContact CB-CG2 4.32Å; V42-I157 HydrophobicContact CG2-CD1 4.05Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.5Å; I153-I157 WeakPolarHBondContact O-CD1 3.23Å; I153-I157 VanDerWaalsContact O-CG1 3.27Å; I153-I157 WeakPolarHBondContact O-CG1 3.46Å; I153-I157 PolarHBondContact O-N 3.33Å; M154-I157 PolarHBondContact O-N 3.13Å
158L78.5Confident66Low1 Ų173.9 Ų73.91%0.00539%0.393CS..Hα-helixtrans-91.9-25.9-172.8-149.458.5000113.1K35 L36 M154 A155 Y156 H160 S161 V199 A202 F203 V206K35-L158 HydrophobicContact CB-CD1 4.34Å; L36-L158 HydrophobicContact CD2-CD1 4.46Å; M154-L158 WeakPolarHBondContact O-CB 3.08Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 VanDerWaalsContact O-N 3.13Å; A155-L158 PolarHBondContact O-N 3.04Å; Y156-L158 PolarHBondContact O-N 2.96Å; L158-H160 PolarHBondContact O-N 3.39Å; L158-S161 PolarHBondContact O-N 3.01Å; L158-V199 HydrophobicContact CD1-CG1 3.79Å; L158-V199 HydrophobicContact CG-CG1 4.15Å; L158-A202 VanDerWaalsContact CD2-C 3.45Å; L158-A202 HydrophobicContact CD2-CB 3.8Å; L158-F203 HydrophobicContact CB-CD2 4.15Å; L158-F203 VanDerWaalsContact CD2-CA 3.47Å; L158-F203 HydrophobicContact CD2-CB 3.92Å; L158-F203 VanDerWaalsContact CD2-N 3.32Å; L158-F203 HydrophobicContact CG-CB 4.07Å; L158-F203 HydrophobicContact CG-CD2 4.47Å; L158-V206 HydrophobicContact CD2-CG2 4.44Å
159H75.2Confident63.3Low100 Ų10085 Ų8546%0.46343%0.432SS..Hα-helixtrans-63.3-34.4178.1179.4-97.1000113.3A155 Y156 S161 T162 F203A155-H159 WeakPolarHBondContact O-CB 3.36Å; A155-H159 PolarHBondContact O-N 2.63Å; Y156-H159 PolarHBondContact O-N 2.85Å; H159-S161 PolarHBondContact O-N 3.1Å; H159-T162 PolarHBondContact O-N 3.15Å; H159-T162 PolarHBondContact O-OG1 3.26Å; H159-F203 HydrophobicContact CB-CE2 4.04Å
160H55.5Low60.4Low115 Ų11583.7 Ų83.753%0.53244%0.441SS..THydrogen-bonded Turntrans-64.8-0.3179.9-160.7-61000113.2K35 L158 T163K35-H160 PolarHBondContact NZ-O 3.48Å; L158-H160 PolarHBondContact O-N 3.39Å; H160-T163 PolarHBondContact O-OG1 3.33Å
161S50.7Low58Low36 Ų3689.7 Ų89.725%0.25246%0.463SS..THydrogen-bonded Turntrans-89.7-5.1172.6-100.80000114.3K35 L158 H159K35-S161 VanDerWaalsContact CD-OG 3.29Å; K35-S161 WeakPolarHBondContact CD-OG 3.41Å; K35-S161 PolarHBondContact NZ-OG 2.95Å; L158-S161 PolarHBondContact O-N 3.01Å; H159-S161 PolarHBondContact O-N 3.1Å
162T48.7Very low55.2Low53 Ų5397.6 Ų97.633%0.32550%0.5SS..  trans-1068.3178.959.30000112.8H159 L164 L191H159-T162 PolarHBondContact O-N 3.15Å; H159-T162 PolarHBondContact O-OG1 3.26Å; T162-L164 PolarHBondContact O-N 3Å; T162-L191 HydrophobicContact CG2-CD2 3.62Å
163T34.9Very low52.6Low74 Ų7499 Ų9945%0.45451%0.505SS..  trans-59.3107.2174.743.40000109.5H160 H165H160-T163 PolarHBondContact O-OG1 3.33Å; T163-H165 PolarHBondContact O-N 3.22Å
164L30.1Very low49.9Very low157 Ų157102.8 Ų102.882%0.82252%0.524SS*.  trans-44.7112.1178.3-76.2131.5000111.8T162T162-L164 PolarHBondContact O-N 3Å
165H33.6Very low47.5Very low145 Ų145107 Ų10767%0.67155%0.546SS*.  trans-85.4117.9154-75.9-73000107.8T163 H167T163-H165 PolarHBondContact O-N 3.22Å; H165-H167 VanDerWaalsContact C-N 3.3Å; H165-H167 PolarHBondContact O-N 3.49Å
166P28Very low45.5Very low105 Ų105115.8 Ų115.868%0.68259%0.585SS**  trans-82.971.7-178.633.7-33.3000110.1
167H36.8Very low43.3Very low165 Ų165114.1 Ų114.176%0.76459%0.588SS**  trans-14282.4170.9-69.7-57.6000112H165H165-H167 VanDerWaalsContact C-N 3.3Å; H165-H167 PolarHBondContact O-N 3.49Å
168G31.4Very low41.1Very low65 Ų65116.7 Ų116.767%0.6762%0.623SS**  trans-156.498.6155.400000104.7G170G168-G170 VanDerWaalsContact C-N 3.32Å; G168-G170 PolarHBondContact O-N 3.41Å
169R32.8Very low38.9Very low259 Ų259125.1 Ų125.198%0.97766%0.662SS**  trans-54.7103.8172.9-113.2176.6172.6152.8-4.1105.9Y171R169-Y171 PolarHBondContact O-N 3.24Å
170G29.5Very low36.8Very low64 Ų64125.9 Ų125.966%0.6668%0.679SS**  trans-52.1134.7170.800000107.9G168 Q172G168-G170 VanDerWaalsContact C-N 3.32Å; G168-G170 PolarHBondContact O-N 3.41Å; G170-Q172 PolarHBondContact O-N 3.32Å
171Y37.3Very low35.9Very low143 Ų143125.7 Ų125.756%0.56169%0.688SS**  trans-45.9104.2168.6179.3-98.1000108.9R169 Q173R169-Y171 PolarHBondContact O-N 3.24Å; Y171-Q173 HydrophobicContact CD1-CB 4.34Å; Y171-Q173 HydrophobicContact CE1-CB 3.91Å; Y171-Q173 HydrophobicContact CE1-CG 4.37Å; Y171-Q173 PolarHBondContact O-N 2.93Å
172Q29.9Very low35.4Very low174 Ų174129.7 Ų129.781%0.81371%0.711SS**  trans-88102.4168.8-165152.5-2.100105.3G170 I174G170-Q172 PolarHBondContact O-N 3.32Å; Q172-I174 PolarHBondContact O-N 3.41Å; Q172-I174 VanDerWaalsContact O-N 3.12Å
173Q36.4Very low34.6Very low122 Ų122132.5 Ų132.557%0.5773%0.733SS**  trans-54.4115.3169.2-173.5170.4-28.500107.5Y171 D175Y171-Q173 HydrophobicContact CD1-CB 4.34Å; Y171-Q173 HydrophobicContact CE1-CB 3.91Å; Y171-Q173 HydrophobicContact CE1-CG 4.37Å; Y171-Q173 PolarHBondContact O-N 2.93Å; Q173-D175 PolarHBondContact NE2-OD1 3.24Å; Q173-D175 PolarHBondContact NE2-OD2 3.37Å; Q173-D175 PolarHBondContact O-N 3.17Å
174I34.1Very low34.5Very low154 Ų154137.1 Ų137.179%0.7975%0.749SS**  trans-88.999.2169.4-59.7175.4000104.6Q172Q172-I174 PolarHBondContact O-N 3.41Å; Q172-I174 VanDerWaalsContact O-N 3.12Å
175D35Very low34.3Very low90 Ų90132.7 Ų132.748%0.48174%0.741SS.*  trans-83.5136.3161.4-71-26.7000108.1Q173 D177Q173-D175 PolarHBondContact NE2-OD1 3.24Å; Q173-D175 PolarHBondContact NE2-OD2 3.37Å; Q173-D175 PolarHBondContact O-N 3.17Å; D175-D177 PolarHBondContact O-N 2.95Å
176E45.4Very low34Very low198 Ų198134 Ų13493%0.92575%0.748SS**SBendtrans-72.83.8178-92.6-152.9121.300114.4
177D40.4Very low33.8Very low143 Ų143135 Ų13577%0.76576%0.756SS**SBendtrans-133.4114176.7-88.3-43.5000110.4D175 Q179D175-D177 PolarHBondContact O-N 2.95Å; D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 3.02Å
178G38.7Very low33.5Very low88 Ų88134.2 Ų134.291%0.90775%0.753SS**  trans-68.767.3-16800000116.8
179Q33.1Very low33.2Very low177 Ų177138.9 Ų138.983%0.82776%0.759SS**  trans-136.1117.6166.7-89.5167.529.700111.8D177D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 3.02Å
180S30.9Very low33.1Very low117 Ų117134.1 Ų134.182%0.81875%0.753SS**  trans-72.3129.5-178.8-38.70000111.8
181P36.9Very low33.2Very low110 Ų110134.5 Ų134.571%0.71474%0.739SS**  trans-86.6120.2162.530.7-25.7000109.4S183P181-S183 PolarHBondContact O-N 3.09Å; P181-S183 VanDerWaalsContact O-N 3.08Å
182V39.8Very low32.9Very low120 Ų120130.5 Ų130.573%0.72774%0.742SS**  trans-68100.3169.2179.20000108H184V182-H184 PolarHBondContact O-N 3.01Å
183S31.3Very low33.2Very low113 Ų113126.5 Ų126.579%0.7973%0.733SS**  trans-85.5106.7168.4-178.30000109.5P181 G185P181-S183 PolarHBondContact O-N 3.09Å; P181-S183 VanDerWaalsContact O-N 3.08Å; S183-G185 PolarHBondContact O-N 3.48Å
184H33.2Very low33.4Very low170 Ų170127.3 Ų127.379%0.78774%0.736SS**  trans-71.689.3167.9-85.9-70.9000109.9V182V182-H184 PolarHBondContact O-N 3.01Å
185G25.7Very low34.2Very low65 Ų65121.2 Ų121.267%0.6771%0.711SS**  trans-90.2116.3167.400000110.8S183 S187S183-G185 PolarHBondContact O-N 3.48Å; G185-S187 PolarHBondContact O-N 3.09Å
186H28Very low35.7Very low173 Ų173118.2 Ų118.280%0.80170%0.695SS**  trans-53.4128.6171.4-74.2-83.8000111H188H186-H188 VanDerWaalsContact C-N 3.32Å; H186-H188 PolarHBondContact O-N 3.43Å
187S23.1Very low36.9Very low124 Ų124109 Ų10987%0.86765%0.653SS**  trans-67.384.4177.952.70000111.1G185G185-S187 PolarHBondContact O-N 3.09Å
188H30.1Very low38.5Very low150 Ų150102.2 Ų102.269%0.69462%0.616SS**  trans-86.6135.6156.5-77.8-84.9000108.5H186 L190H186-H188 VanDerWaalsContact C-N 3.32Å; H186-H188 PolarHBondContact O-N 3.43Å; H188-L190 HydrophobicContact CB-CG 4.48Å; H188-L190 PolarHBondContact O-N 3.14Å
189M24.9Very low40.2Very low163 Ų16398.4 Ų98.480%0.80358%0.575SS**  trans-62.170.7170.9-175.7171.3148.800109.7L191M189-L191 PolarHBondContact O-N 3.1Å; M189-L191 VanDerWaalsContact O-N 3.11Å
190L31.6Very low42.2Very low159 Ų15992.8 Ų92.883%0.83255%0.547SS*.  trans-79.692178.2-87.9167.2000108.3H188 G192H188-L190 HydrophobicContact CB-CG 4.48Å; H188-L190 PolarHBondContact O-N 3.14Å; L190-G192 PolarHBondContact O-N 3.49Å; L190-G192 VanDerWaalsContact O-N 3.13Å
191L31.5Very low44.4Very low71 Ų7187.6 Ų87.637%0.37251%0.511SS..  trans-49.9111.8166.6-80.7146.6000110.2T162 M189 F203T162-L191 HydrophobicContact CG2-CD2 3.62Å; M189-L191 PolarHBondContact O-N 3.1Å; M189-L191 VanDerWaalsContact O-N 3.11Å; L191-F203 HydrophobicContact CD1-CE1 4.41Å
192G30.6Very low46.4Very low60 Ų6082.5 Ų82.562%0.61948%0.478SS*.  trans-64.6167-173.700000116.1L190 H194L190-G192 PolarHBondContact O-N 3.49Å; L190-G192 VanDerWaalsContact O-N 3.13Å; G192-H194 PolarHBondContact O-N 2.82Å; G192-H194 VanDerWaalsContact O-N 3.07Å
193S37.5Very low48.4Very low89 Ų8977.4 Ų77.462%0.62245%0.446SS*.SBendtrans-78.327.6-152.4-164.30000118.2
194H38.8Very low50.6Low140 Ų14073.9 Ų73.965%0.64842%0.417SS*.  trans-135.224.9-172.3-66.7-69.4000116.2G192G192-H194 PolarHBondContact O-N 2.82Å; G192-H194 VanDerWaalsContact O-N 3.07Å
195G51.7Low52.9Low26 Ų2666.5 Ų66.527%0.26838%0.383SS..SBendtrans-104.8139.9175.200000113.3T197G195-T197 PolarHBondContact O-N 3.15Å
196N67.4Low55.7Low27 Ų2763.4 Ų63.414%0.14435%0.351CS..  trans-51.8130.3171-71.433.1000110.6A32 L83 S198 V199 R200A32-N196 HydrophobicContact CB-CB 4.33Å; L83-N196 HydrophobicContact CD2-CB 4.5Å; N196-S198 PolarHBondContact O-N 3.39Å; N196-V199 HydrophobicContact CB-CB 4.25Å; N196-V199 HydrophobicContact CB-CG2 4.02Å; N196-V199 PolarHBondContact O-N 3.03Å; N196-R200 PolarHBondContact O-N 2.67Å
197T70.4Confident58.4Low5 Ų558 Ų583%0.03133%0.328CS..Hα-helixtrans-54.6-41.7-177-430000111.8I103 A106 G195 V199 R200 A201 L295I103-T197 HydrophobicContact CD1-CG2 3.86Å; A106-T197 HydrophobicContact CB-CG2 4.08Å; G195-T197 PolarHBondContact O-N 3.15Å; T197-V199 PolarHBondContact O-N 2.99Å; T197-R200 PolarHBondContact O-N 2.85Å; T197-A201 WeakPolarHBondContact O-CB 3.38Å; T197-A201 PolarHBondContact O-N 2.96Å; T197-L295 HydrophobicContact CG2-CD1 4.1Å; T197-L295 VanDerWaalsContact OG1-CD1 3.26Å; T197-L295 WeakPolarHBondContact OG1-CD1 3.48Å; T197-L295 WeakPolarHBondContact OG1-CG 3.43Å
198S73.1Confident61.2Low0 Ų052.5 Ų52.50%029%0.291CS..Hα-helixtrans-64.2-38.6178.4-48.10000112.8N196 A202N196-S198 PolarHBondContact O-N 3.39Å; S198-A202 WeakPolarHBondContact O-CB 3.5Å; S198-A202 PolarHBondContact O-N 3Å
199V75.4Confident63.8Low7 Ų745.9 Ų45.94%0.04226%0.261CS..Hα-helixtrans-71.4-40.7176.5175.60000110.6A32 L36 L158 N196 T197 A201 A202 F203A32-V199 HydrophobicContact CB-CG2 3.49Å; A32-V199 VanDerWaalsContact CB-CG2 3.49Å; L36-V199 HydrophobicContact CD1-CG2 3.82Å; L36-V199 HydrophobicContact CG-CG2 4.19Å; L158-V199 HydrophobicContact CD1-CG1 3.79Å; L158-V199 HydrophobicContact CG-CG1 4.15Å; N196-V199 HydrophobicContact CB-CB 4.25Å; N196-V199 HydrophobicContact CB-CG2 4.02Å; N196-V199 PolarHBondContact O-N 3.03Å; T197-V199 PolarHBondContact O-N 2.99Å; V199-A201 VanDerWaalsContact C-N 3.34Å; V199-A202 PolarHBondContact O-N 2.92Å; V199-F203 WeakPolarHBondContact O-CB 3.39Å; V199-F203 PolarHBondContact O-N 3.29Å
200R75.5Confident66.8Low60 Ų6039.3 Ų39.323%0.22623%0.229CC..Hα-helixtrans-62.4-42.6176.2-169.5177.476.4-176.97.7111.5N196 T197 F203 I204 D254N196-R200 PolarHBondContact O-N 2.67Å; T197-R200 PolarHBondContact O-N 2.85Å; R200-F203 PolarHBondContact O-N 3.41Å; R200-I204 HydrophobicContact CG-CD1 4.08Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.24Å; R200-D254 IonicContact NH2-OD2 3.64Å
201A75.6Confident69.5Low8 Ų834.4 Ų34.47%0.06620%0.203CC..Hα-helixtrans-61-49.1174.800000111A106 T197 V199 F203 I204 H205A106-A201 HydrophobicContact CB-CB 4.07Å; T197-A201 WeakPolarHBondContact O-CB 3.38Å; T197-A201 PolarHBondContact O-N 2.96Å; V199-A201 VanDerWaalsContact C-N 3.34Å; A201-F203 VanDerWaalsContact C-N 3.3Å; A201-F203 PolarHBondContact O-N 3.15Å; A201-I204 PolarHBondContact O-N 3.45Å; A201-H205 WeakPolarHBondContact O-CB 3.19Å; A201-H205 PolarHBondContact O-N 3.12Å
202A79.1Confident72.1Confident2 Ų232.7 Ų32.72%0.01719%0.193CC..Hα-helixtrans-62.5-34.2175.900000113L36 L158 S198 V199 H205 V206L36-A202 HydrophobicContact CD2-CB 3.66Å; L158-A202 VanDerWaalsContact CD2-C 3.45Å; L158-A202 HydrophobicContact CD2-CB 3.8Å; S198-A202 WeakPolarHBondContact O-CB 3.5Å; S198-A202 PolarHBondContact O-N 3Å; V199-A202 PolarHBondContact O-N 2.92Å; A202-H205 WeakPolarHBondContact O-CB 3.24Å; A202-H205 PolarHBondContact O-N 3.03Å; A202-V206 VanDerWaalsContact O-CG2 3.28Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 3.33Å
203F81.8Confident74.8Confident14 Ų1430.2 Ų30.26%0.06117%0.166CC..Hα-helixtrans-68.4-46176.9175.4-102.4000112.1L158 H159 L191 V199 R200 A201 H205 V206 L207L158-F203 HydrophobicContact CB-CD2 4.15Å; L158-F203 VanDerWaalsContact CD2-CA 3.47Å; L158-F203 HydrophobicContact CD2-CB 3.92Å; L158-F203 VanDerWaalsContact CD2-N 3.32Å; L158-F203 HydrophobicContact CG-CB 4.07Å; L158-F203 HydrophobicContact CG-CD2 4.47Å; H159-F203 HydrophobicContact CB-CE2 4.04Å; L191-F203 HydrophobicContact CD1-CE1 4.41Å; V199-F203 WeakPolarHBondContact O-CB 3.39Å; V199-F203 PolarHBondContact O-N 3.29Å; R200-F203 PolarHBondContact O-N 3.41Å; A201-F203 VanDerWaalsContact C-N 3.3Å; A201-F203 PolarHBondContact O-N 3.15Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 3.39Å; F203-V206 PolarHBondContact O-N 3Å; F203-L207 HydrophobicContact CE1-CD2 4.33Å; F203-L207 WeakPolarHBondContact O-CB 3.1Å; F203-L207 PolarHBondContact O-N 3.44Å
204I78.6Confident77.3Confident38 Ų3829.5 Ų29.520%0.19516%0.155CC..Hα-helixtrans-65.5-35.6177.7-64.5166.9000110.4R200 A201 L207 G208 I251R200-I204 HydrophobicContact CG-CD1 4.08Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.24Å; A201-I204 PolarHBondContact O-N 3.45Å; I204-L207 PolarHBondContact O-N 3.32Å; I204-G208 PolarHBondContact O-N 3.42Å; I204-I251 HydrophobicContact CB-CD1 4Å; I204-I251 HydrophobicContact CD1-CD1 3.45Å; I204-I251 VanDerWaalsContact CD1-CD1 3.45Å; I204-I251 HydrophobicContact CD1-CG1 3.95Å; I204-I251 HydrophobicContact CG1-CD1 4.32Å; I204-I251 HydrophobicContact CG2-CD1 3.81Å
205H80.1Confident79.7Confident15 Ų1523.2 Ų23.27%0.06913%0.127CC..Hα-helixtrans-56-59.5171.1-174.896.4000111.3D72 I113 A201 A202 F203 L207 G208 D209D72-H205 VanDerWaalsContact CG-NE2 3.34Å; D72-H205 IonicContact OD1-CD2 3Å; D72-H205 IonicContact OD1-CE1 2.72Å; D72-H205 PolarHBondContact OD1-CE1 3.31Å; D72-H205 VanDerWaalsContact OD1-CE1 3.29Å; D72-H205 IonicContact OD1-NE2 3.22Å; D72-H205 PolarHBondContact OD1-NE2 2.83Å; I113-H205 HydrophobicContact CD1-CB 4.24Å; I113-H205 WeakPolarHBondContact CD1-ND1 3.36Å; I113-H205 WeakPolarHBondContact CG1-ND1 3.49Å; A201-H205 WeakPolarHBondContact O-CB 3.19Å; A201-H205 PolarHBondContact O-N 3.12Å; A202-H205 WeakPolarHBondContact O-CB 3.24Å; A202-H205 PolarHBondContact O-N 3.03Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 3.39Å; H205-L207 VanDerWaalsContact C-N 3.25Å; H205-L207 PolarHBondContact O-N 3.49Å; H205-G208 WeakPolarHBondContact O-CA 3.48Å; H205-G208 PolarHBondContact O-N 3.4Å; H205-D209 IonicContact CD2-OD2 3.39Å; H205-D209 PolarHBondContact CD2-OD2 2.94Å; H205-D209 IonicContact NE2-OD1 4Å; H205-D209 IonicContact NE2-OD2 2.81Å; H205-D209 PolarHBondContact NE2-OD2 2.87Å; H205-D209 PolarHBondContact O-N 2.89Å
206V84.3Confident81.4Confident0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-59.6-35.8180172.40000112.5M76 M154 A155 L158 A202 F203 G208 D209 L210M76-V206 HydrophobicContact CE-CG2 3.42Å; M76-V206 VanDerWaalsContact CE-CG2 3.42Å; M154-V206 HydrophobicContact CB-CG1 3.58Å; M154-V206 HydrophobicContact CB-CG2 4.33Å; M154-V206 HydrophobicContact CE-CG1 4.43Å; M154-V206 HydrophobicContact CE-CG2 3.65Å; A155-V206 HydrophobicContact CB-CG1 4.1Å; L158-V206 HydrophobicContact CD2-CG2 4.44Å; A202-V206 VanDerWaalsContact O-CG2 3.28Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 3.33Å; F203-V206 PolarHBondContact O-N 3Å; V206-G208 VanDerWaalsContact C-N 3.34Å; V206-D209 PolarHBondContact O-N 3.32Å; V206-L210 WeakPolarHBondContact O-CB 3.21Å; V206-L210 PolarHBondContact O-N 2.98Å
207L84.6Confident82.5Confident60 Ų6023.9 Ų23.931%0.31413%0.128SC..Hα-helixtrans-66.9-37.3175.6-17663.2000111.7F203 I204 H205 L211F203-L207 HydrophobicContact CE1-CD2 4.33Å; F203-L207 WeakPolarHBondContact O-CB 3.1Å; F203-L207 PolarHBondContact O-N 3.44Å; I204-L207 PolarHBondContact O-N 3.32Å; H205-L207 VanDerWaalsContact C-N 3.25Å; H205-L207 PolarHBondContact O-N 3.49Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 2.69Å; L207-L211 VanDerWaalsContact O-N 3.08Å
208G82.6Confident83.5Confident8 Ų827.6 Ų27.68%0.08215%0.15CC..Hα-helixtrans-59.7-49.5170.700000111.6I204 H205 V206 L210 L211 Q212I204-G208 PolarHBondContact O-N 3.42Å; H205-G208 WeakPolarHBondContact O-CA 3.48Å; H205-G208 PolarHBondContact O-N 3.4Å; V206-G208 VanDerWaalsContact C-N 3.34Å; G208-L210 VanDerWaalsContact C-N 3.32Å; G208-L210 PolarHBondContact O-N 3.2Å; G208-L211 PolarHBondContact O-N 2.93Å; G208-Q212 WeakPolarHBondContact O-CB 3.32Å; G208-Q212 PolarHBondContact O-N 3.49Å
209D84.8Confident84.2Confident12 Ų1227.7 Ų27.76%0.06415%0.151CC..Hα-helixtrans-63.3-38179.1-57.7-19.2000112H68 N151 H205 V206 Q212 S213H68-D209 IonicContact CE1-OD1 3.49Å; H68-D209 PolarHBondContact CE1-OD1 3.45Å; N151-D209 PolarHBondContact ND2-O 2.94Å; H205-D209 IonicContact CD2-OD2 3.39Å; H205-D209 PolarHBondContact CD2-OD2 2.94Å; H205-D209 IonicContact NE2-OD1 4Å; H205-D209 IonicContact NE2-OD2 2.81Å; H205-D209 PolarHBondContact NE2-OD2 2.87Å; H205-D209 PolarHBondContact O-N 2.89Å; V206-D209 PolarHBondContact O-N 3.32Å; D209-Q212 PolarHBondContact O-N 2.96Å; D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 3.4Å; D209-S213 PolarHBondContact O-N 3.06Å; D209-S213 PolarHBondContact O-OG 3.2Å
210L88.4Confident84.8Confident24 Ų2427.4 Ų27.413%0.12615%0.149CC..Hα-helixtrans-60.8-48.3173.9178.956.3000111.3V148 N151 I152 A155 V206 G208 Q212 S213 I214V148-L210 HydrophobicContact CG1-CD1 4.33Å; N151-L210 HydrophobicContact CB-CB 3.9Å; N151-L210 HydrophobicContact CB-CD1 3.8Å; N151-L210 HydrophobicContact CB-CG 4.43Å; I152-L210 HydrophobicContact CG1-CD1 3.68Å; I152-L210 HydrophobicContact CG1-CD2 4.32Å; A155-L210 HydrophobicContact CB-CD2 4.39Å; V206-L210 WeakPolarHBondContact O-CB 3.21Å; V206-L210 PolarHBondContact O-N 2.98Å; G208-L210 VanDerWaalsContact C-N 3.32Å; G208-L210 PolarHBondContact O-N 3.2Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; L210-S213 WeakPolarHBondContact CA-OG 3.28Å; L210-S213 PolarHBondContact O-N 3.22Å; L210-S213 PolarHBondContact O-OG 3.37Å; L210-I214 HydrophobicContact CD1-CD1 3.98Å; L210-I214 HydrophobicContact CD1-CG1 4.26Å; L210-I214 HydrophobicContact CG-CD1 4.01Å; L210-I214 WeakPolarHBondContact O-CD1 3.47Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 2.95Å
211L86.8Confident85.5Confident57 Ų5727 Ų2730%0.29815%0.153SC..Hα-helixtrans-63.8-42.9178.9-72.8171.8000111.2L207 G208 I214 G215 F240 F243L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 2.69Å; L207-L211 VanDerWaalsContact O-N 3.08Å; G208-L211 PolarHBondContact O-N 2.93Å; L211-I214 PolarHBondContact O-N 3.38Å; L211-G215 PolarHBondContact O-N 3.4Å; L211-F240 VanDerWaalsContact C-CE1 3.42Å; L211-F240 HydrophobicContact CB-CD1 4.26Å; L211-F240 HydrophobicContact CB-CE1 3.92Å; L211-F240 WeakPolarHBondContact O-CE1 3.37Å; L211-F240 WeakPolarHBondContact O-CZ 3.34Å; L211-F243 HydrophobicContact CD1-CD1 4.21Å; L211-F243 HydrophobicContact CD1-CE1 3.32Å; L211-F243 HydrophobicContact CD1-CZ 3.52Å
212Q86.2Confident86.1Confident35 Ų3530 Ų3016%0.16417%0.167CC..Hα-helixtrans-60.6-49.3175.4-179175.5-46.100111.8H68 G208 D209 L210 I214 G215 V216 F240H68-Q212 PolarHBondContact CD2-NE2 3.29Å; H68-Q212 PolarHBondContact NE2-NE2 3.23Å; G208-Q212 WeakPolarHBondContact O-CB 3.32Å; G208-Q212 PolarHBondContact O-N 3.49Å; D209-Q212 PolarHBondContact O-N 2.96Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 PolarHBondContact O-N 2.87Å; Q212-G215 CarbonylContact O-C 3.33Å; Q212-G215 WeakPolarHBondContact O-CA 3.46Å; Q212-G215 PolarHBondContact O-N 3.42Å; Q212-V216 WeakPolarHBondContact O-CG2 3.34Å; Q212-V216 PolarHBondContact O-N 2.96Å; Q212-F240 HydrophobicContact CB-CG 4.41Å
213S88.1Confident86.5Confident8 Ų830.2 Ų30.26%0.05617%0.168CC..Hα-helixtrans-62.9-36.617952.40000112.8V148 N151 D209 L210 V216 T217V148-S213 VanDerWaalsContact CG2-C 3.48Å; V148-S213 WeakPolarHBondContact CG2-O 3.43Å; N151-S213 PolarHBondContact ND2-OG 3.23Å; D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 3.4Å; D209-S213 PolarHBondContact O-N 3.06Å; D209-S213 PolarHBondContact O-OG 3.2Å; L210-S213 WeakPolarHBondContact CA-OG 3.28Å; L210-S213 PolarHBondContact O-N 3.22Å; L210-S213 PolarHBondContact O-OG 3.37Å; S213-V216 PolarHBondContact O-N 2.89Å; S213-T217 WeakPolarHBondContact O-CB 3.4Å; S213-T217 PolarHBondContact O-N 2.95Å; S213-T217 PolarHBondContact O-OG1 3.45Å
214I90.4Very high86.7Confident74 Ų7435.2 Ų35.238%0.37919%0.188SC..Hα-helixtrans-61.7-46.3170.5-69.4165.4000110.1V148 L210 L211 Q212 V216 T217 V218V148-I214 HydrophobicContact CG1-CG1 4.23Å; V148-I214 HydrophobicContact CG2-CG1 4.02Å; L210-I214 HydrophobicContact CD1-CD1 3.98Å; L210-I214 HydrophobicContact CD1-CG1 4.26Å; L210-I214 HydrophobicContact CG-CD1 4.01Å; L210-I214 WeakPolarHBondContact O-CD1 3.47Å; L210-I214 VanDerWaalsContact O-CG1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.28Å; L210-I214 PolarHBondContact O-N 2.95Å; L211-I214 PolarHBondContact O-N 3.38Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 PolarHBondContact O-N 2.87Å; I214-V216 PolarHBondContact O-N 2.86Å; I214-T217 WeakPolarHBondContact O-CB 3.26Å; I214-T217 PolarHBondContact O-N 3.25Å; I214-V218 WeakPolarHBondContact O-CG2 3.36Å; I214-V218 PolarHBondContact O-N 2.93Å
215G88.8Confident87.2Confident7 Ų739.8 Ų39.87%0.07221%0.206CC..Hα-helixtrans-54.6-5117500000113.7L211 Q212 T217 V218 A219 C236L211-G215 PolarHBondContact O-N 3.4Å; Q212-G215 CarbonylContact O-C 3.33Å; Q212-G215 WeakPolarHBondContact O-CA 3.46Å; Q212-G215 PolarHBondContact O-N 3.42Å; G215-T217 VanDerWaalsContact C-N 3.28Å; G215-T217 PolarHBondContact O-N 3.28Å; G215-V218 PolarHBondContact O-N 3.48Å; G215-A219 PolarHBondContact O-N 3.47Å; G215-C236 VanDerWaalsContact CA-SG 3.51Å; G215-C236 PolarHBondContact O-SG 3.19Å
216V87.4Confident87.7Confident36 Ų3646.6 Ų46.622%0.21823%0.231CC..Hα-helixtrans-61.3-39.7177.6175.40000110.3M140 Q212 S213 I214 V218 A219 A220M140-V216 HydrophobicContact CE-CG1 3.56Å; Q212-V216 WeakPolarHBondContact O-CG2 3.34Å; Q212-V216 PolarHBondContact O-N 2.96Å; S213-V216 PolarHBondContact O-N 2.89Å; I214-V216 PolarHBondContact O-N 2.86Å; V216-V218 PolarHBondContact O-N 3.21Å; V216-A219 PolarHBondContact O-N 3.28Å; V216-A220 VanDerWaalsContact O-CB 3.28Å; V216-A220 WeakPolarHBondContact O-CB 3.46Å; V216-A220 PolarHBondContact O-N 2.87Å
217T90.3Very high87.6Confident32 Ų3250.4 Ų50.420%0.19626%0.256CS..Hα-helixtrans-62.6-41.9175.6-55.50000111.9S144 V148 S213 I214 G215 A220 T221S144-T217 WeakPolarHBondContact CB-OG1 3.4Å; S144-T217 PolarHBondContact O-OG1 3.44Å; S144-T217 WeakPolarHBondContact OG-CA 3.36Å; S144-T217 PolarHBondContact OG-OG1 2.93Å; V148-T217 WeakPolarHBondContact CG2-OG1 3.38Å; S213-T217 WeakPolarHBondContact O-CB 3.4Å; S213-T217 PolarHBondContact O-N 2.95Å; S213-T217 PolarHBondContact O-OG1 3.45Å; I214-T217 WeakPolarHBondContact O-CB 3.26Å; I214-T217 PolarHBondContact O-N 3.25Å; G215-T217 VanDerWaalsContact C-N 3.28Å; G215-T217 PolarHBondContact O-N 3.28Å; T217-A220 PolarHBondContact O-N 3.42Å; T217-T221 WeakPolarHBondContact O-CB 3.4Å; T217-T221 PolarHBondContact O-N 2.77Å; T217-T221 PolarHBondContact O-OG1 2.91Å
218V90.9Very high87.6Confident82 Ų8256 Ų5650%0.49728%0.28SS..Hα-helixtrans-64-45.9175.3171.80000110.5I214 G215 V216 T221 I222I214-V218 WeakPolarHBondContact O-CG2 3.36Å; I214-V218 PolarHBondContact O-N 2.93Å; G215-V218 PolarHBondContact O-N 3.48Å; V216-V218 PolarHBondContact O-N 3.21Å; V218-T221 PolarHBondContact O-N 3.21Å; V218-I222 HydrophobicContact CG1-CD1 4.11Å; V218-I222 WeakPolarHBondContact O-CG1 3.45Å; V218-I222 PolarHBondContact O-N 3.49Å
219A88Confident87.8Confident3 Ų362.3 Ų62.33%0.02530%0.303CS..Hα-helixtrans-60.9-45.3176.200000111.7G215 V216 T221 I222 I223 A232 D233 C236G215-A219 PolarHBondContact O-N 3.47Å; V216-A219 PolarHBondContact O-N 3.28Å; A219-T221 VanDerWaalsContact C-N 3.32Å; A219-T221 PolarHBondContact O-N 3.44Å; A219-I222 PolarHBondContact O-N 3.06Å; A219-I223 VanDerWaalsContact O-CG1 3.25Å; A219-I223 WeakPolarHBondContact O-CG1 3.29Å; A219-I223 PolarHBondContact O-N 3.41Å; A219-A232 HydrophobicContact CB-CB 4.35Å; A219-D233 HydrophobicContact CB-CB 4.37Å; A219-C236 HydrophobicContact CB-CB 4.23Å
220A87.5Confident87.7Confident0 Ų065.2 Ų65.20%032%0.315CS..Hα-helixtrans-60.4-40.7176.800000111.9M140 L141 V216 T217 I223 Y224M140-A220 HydrophobicContact CB-CB 4.3Å; M140-A220 HydrophobicContact CE-CB 4.2Å; M140-A220 HydrophobicContact CG-CB 3.82Å; M140-A220 HydrophobicContact SD-CB 3.9Å; L141-A220 HydrophobicContact CB-CB 4.24Å; L141-A220 HydrophobicContact CD1-CB 4.43Å; V216-A220 VanDerWaalsContact O-CB 3.28Å; V216-A220 WeakPolarHBondContact O-CB 3.46Å; V216-A220 PolarHBondContact O-N 2.87Å; T217-A220 PolarHBondContact O-N 3.42Å; A220-I223 PolarHBondContact O-N 2.74Å; A220-Y224 WeakPolarHBondContact O-CB 3.25Å; A220-Y224 PolarHBondContact O-N 2.77Å
221T90.4Very high87.5Confident51 Ų5167.1 Ų67.131%0.31333%0.328SS..Hα-helixtrans-63.5-43.7176.6-570000111.4L141 T217 V218 A219 Y224 F225L141-T221 WeakPolarHBondContact CD1-OG1 3.4Å; T217-T221 WeakPolarHBondContact O-CB 3.4Å; T217-T221 PolarHBondContact O-N 2.77Å; T217-T221 PolarHBondContact O-OG1 2.91Å; V218-T221 PolarHBondContact O-N 3.21Å; A219-T221 VanDerWaalsContact C-N 3.32Å; A219-T221 PolarHBondContact O-N 3.44Å; T221-Y224 PolarHBondContact O-N 3.45Å; T221-F225 HydrophobicContact CG2-CD2 3.92Å; T221-F225 HydrophobicContact CG2-CE2 3.84Å; T221-F225 VanDerWaalsContact O-CD2 3.29Å; T221-F225 WeakPolarHBondContact O-CD2 3.38Å; T221-F225 PolarHBondContact O-N 2.98Å
222I89.8Confident87.5Confident72 Ų7265.4 Ų65.437%0.36932%0.322SS..Hα-helixtrans-60.9-47.2175.7-68166.6000110.3V218 A219 Y224 F225 R226 A232V218-I222 HydrophobicContact CG1-CD1 4.11Å; V218-I222 WeakPolarHBondContact O-CG1 3.45Å; V218-I222 PolarHBondContact O-N 3.49Å; A219-I222 PolarHBondContact O-N 3.06Å; I222-Y224 VanDerWaalsContact C-N 3.33Å; I222-Y224 PolarHBondContact O-N 2.81Å; I222-F225 PolarHBondContact O-N 3Å; I222-R226 CarbonylContact O-C 3.58Å; I222-R226 WeakPolarHBondContact O-CA 3.5Å; I222-R226 PolarHBondContact O-N 3.39Å; I222-A232 HydrophobicContact CG2-CB 4.27Å
223I86.3Confident87.5Confident6 Ų664 Ų643%0.03132%0.315CS..Hα-helixtrans-64.4-38.1-179.5-66.6167.2000111.2M140 A219 A220 R226 P227 D233M140-I223 HydrophobicContact SD-CD1 4.37Å; A219-I223 VanDerWaalsContact O-CG1 3.25Å; A219-I223 WeakPolarHBondContact O-CG1 3.29Å; A219-I223 PolarHBondContact O-N 3.41Å; A220-I223 PolarHBondContact O-N 2.74Å; I223-R226 CarbonylContact O-C 3.57Å; I223-P227 VanDerWaalsContact O-CA 3.3Å; I223-P227 WeakPolarHBondContact O-CA 3.4Å; I223-P227 VanDerWaalsContact O-N 3.15Å; I223-D233 HydrophobicContact CD1-CB 4.09Å
224Y87.2Confident87.4Confident120 Ų12063.7 Ų63.747%0.47131%0.313SS..Hα-helixtrans-63.3-46.3178.5-178.1-95.7000112.4A220 T221 I222A220-Y224 WeakPolarHBondContact O-CB 3.25Å; A220-Y224 PolarHBondContact O-N 2.77Å; T221-Y224 PolarHBondContact O-N 3.45Å; I222-Y224 VanDerWaalsContact C-N 3.33Å; I222-Y224 PolarHBondContact O-N 2.81Å
225F89.1Confident87.4Confident133 Ų13364.4 Ų64.458%0.58332%0.316SS*.Hα-helixtrans-82.1-25.4179.6-72.7-67.2000114T221 I222T221-F225 HydrophobicContact CG2-CD2 3.92Å; T221-F225 HydrophobicContact CG2-CE2 3.84Å; T221-F225 VanDerWaalsContact O-CD2 3.29Å; T221-F225 WeakPolarHBondContact O-CD2 3.38Å; T221-F225 PolarHBondContact O-N 2.98Å; I222-F225 PolarHBondContact O-N 3Å
226R89.1Confident87.3Confident159 Ų15964.7 Ų64.760%0.632%0.317SS*.  trans-141.283.8-178.6-60.9-71-175.8-103.54.5110.4I222 I223 E228 Y229I222-R226 CarbonylContact O-C 3.58Å; I222-R226 WeakPolarHBondContact O-CA 3.5Å; I222-R226 PolarHBondContact O-N 3.39Å; I223-R226 CarbonylContact O-C 3.57Å; R226-E228 PolarHBondContact O-N 2.71Å; R226-Y229 HydrophobicContact CB-CD2 3.55Å; R226-Y229 HydrophobicContact CB-CE2 4.05Å; R226-Y229 HydrophobicContact CG-CD2 4.31Å; R226-Y229 HydrophobicContact CG-CE2 4.38Å; R226-Y229 PolarHBondContact O-N 2.74Å
227P83.3Confident87.3Confident80 Ų8064 Ų6452%0.51931%0.313SS..THydrogen-bonded Turntrans-60.7-10.7-178.8-25.635.1000115.3I223 Y229 K230I223-P227 VanDerWaalsContact O-CA 3.3Å; I223-P227 WeakPolarHBondContact O-CA 3.4Å; I223-P227 VanDerWaalsContact O-N 3.15Å; P227-Y229 VanDerWaalsContact C-N 3.33Å; P227-K230 VanDerWaalsContact O-CE 3.32Å; P227-K230 WeakPolarHBondContact O-CE 3.44Å; P227-K230 WeakPolarHBondContact O-CG 3.34Å
228E84.5Confident87.4Confident176 Ų17665.4 Ų65.482%0.82232%0.317SS*.THydrogen-bonded Turntrans-73.1-23.5175.5-63.1174-171.900112.6R226 K230R226-E228 PolarHBondContact O-N 2.71Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 3.07Å
229Y86Confident87.4Confident142 Ų14266.9 Ų66.956%0.55732%0.321SS*.  trans-94.243.1-177.8-65.4-88000113.1R226 P227 V231 A232R226-Y229 HydrophobicContact CB-CD2 3.55Å; R226-Y229 HydrophobicContact CB-CE2 4.05Å; R226-Y229 HydrophobicContact CG-CD2 4.31Å; R226-Y229 HydrophobicContact CG-CE2 4.38Å; R226-Y229 PolarHBondContact O-N 2.74Å; P227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-V231 PolarHBondContact O-N 3.42Å; Y229-V231 VanDerWaalsContact O-N 3.13Å; Y229-A232 VanDerWaalsContact O-CB 3.26Å; Y229-A232 WeakPolarHBondContact O-CB 3.29Å; Y229-A232 PolarHBondContact O-N 3.08Å
230K82.9Confident87.3Confident72 Ų7268.7 Ų68.731%0.31333%0.328SS..THydrogen-bonded Turntrans-62.5-20.8180-52.7-166.5177.6-177.10114.1Y133 P227 E228 A232Y133-K230 HydrophobicContact CD1-CB 3.99Å; Y133-K230 HydrophobicContact CD2-CB 4.25Å; Y133-K230 HydrophobicContact CD2-CD 4.49Å; Y133-K230 HydrophobicContact CG-CB 3.8Å; Y133-K230 HydrophobicContact CG-CD 4.1Å; Y133-K230 WeakPolarHBondContact O-CD 3.34Å; Y133-K230 PolarHBondContact O-NZ 3.09Å; P227-K230 VanDerWaalsContact O-CE 3.32Å; P227-K230 WeakPolarHBondContact O-CE 3.44Å; P227-K230 WeakPolarHBondContact O-CG 3.34Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 3.07Å; K230-A232 PolarHBondContact O-N 3.21Å
231V85.3Confident87.4Confident65 Ų6569 Ų6939%0.39433%0.331SS..THydrogen-bonded Turntrans-66.4-15175.8-169.80000112.4Y229 D233 P234 I235Y229-V231 PolarHBondContact O-N 3.42Å; Y229-V231 VanDerWaalsContact O-N 3.13Å; V231-D233 VanDerWaalsContact C-N 3.26Å; V231-D233 PolarHBondContact O-N 3.42Å; V231-P234 WeakPolarHBondContact O-CD 3.41Å; V231-I235 HydrophobicContact CG1-CD1 3.8Å; V231-I235 HydrophobicContact CG1-CG1 4.07Å; V231-I235 WeakPolarHBondContact O-CG1 3.46Å; V231-I235 PolarHBondContact O-N 3.18Å; V231-I235 VanDerWaalsContact O-N 3.16Å
232A86.2Confident87.4Confident21 Ų2172 Ų7217%0.17434%0.344CS..Hα-helixtrans-57.6-36.3177.700000113.2A219 I222 Y229 K230 C236A219-A232 HydrophobicContact CB-CB 4.35Å; I222-A232 HydrophobicContact CG2-CB 4.27Å; Y229-A232 VanDerWaalsContact O-CB 3.26Å; Y229-A232 WeakPolarHBondContact O-CB 3.29Å; Y229-A232 PolarHBondContact O-N 3.08Å; K230-A232 PolarHBondContact O-N 3.21Å; A232-C236 WeakPolarHBondContact O-CB 3.41Å; A232-C236 PolarHBondContact O-N 3.09Å
233D85.3Confident87.2Confident6 Ų672.9 Ų72.93%0.03235%0.345CS..Hα-helixtrans-68-51-179.5170.870.5000113.1R127 M140 A219 I223 V231 I235 C236 T237R127-D233 IonicContact CZ-OD2 2.69Å; R127-D233 IonicContact NH1-OD2 3.8Å; R127-D233 PolarHBondContact NH1-OD2 3.22Å; M140-D233 HydrophobicContact CE-CB 4.14Å; M140-D233 VanDerWaalsContact CE-OD1 3.23Å; M140-D233 WeakPolarHBondContact CE-OD1 3.48Å; A219-D233 HydrophobicContact CB-CB 4.37Å; I223-D233 HydrophobicContact CD1-CB 4.09Å; V231-D233 VanDerWaalsContact C-N 3.26Å; V231-D233 PolarHBondContact O-N 3.42Å; D233-I235 PolarHBondContact O-N 3.25Å; D233-C236 WeakPolarHBondContact O-CB 3.42Å; D233-C236 PolarHBondContact O-N 3.49Å; D233-T237 PolarHBondContact O-N 2.9Å; D233-T237 PolarHBondContact O-OG1 3.04Å
234P87Confident87.2Confident0 Ų073 Ų730%035%0.346CS..Hα-helixtrans-59-41.9171.3-28.633.9000114.3A124 R127 I128 Y133 V231 C236 T237 F238A124-P234 HydrophobicContact CB-CB 4.22Å; R127-P234 HydrophobicContact CB-CG 4.47Å; I128-P234 HydrophobicContact CD1-CB 3.61Å; I128-P234 HydrophobicContact CD1-CG 4.35Å; I128-P234 HydrophobicContact CG1-CB 3.77Å; I128-P234 HydrophobicContact CG1-CG 3.95Å; Y133-P234 HydrophobicContact CE1-CG 4.07Å; V231-P234 WeakPolarHBondContact O-CD 3.41Å; P234-C236 VanDerWaalsContact C-N 3.33Å; P234-C236 PolarHBondContact O-N 3.11Å; P234-T237 WeakPolarHBondContact O-CB 3.42Å; P234-T237 PolarHBondContact O-N 3.45Å; P234-F238 HydrophobicContact CB-CE2 4.35Å; P234-F238 WeakPolarHBondContact O-CD2 3.43Å; P234-F238 PolarHBondContact O-N 3.29Å
235I89.7Confident87.2Confident89 Ų8970.5 Ų70.546%0.45634%0.34SS..Hα-helixtrans-60.3-46.7178.2-69.5168.5000110.3V231 D233 T237 F238 L239V231-I235 HydrophobicContact CG1-CD1 3.8Å; V231-I235 HydrophobicContact CG1-CG1 4.07Å; V231-I235 WeakPolarHBondContact O-CG1 3.46Å; V231-I235 PolarHBondContact O-N 3.18Å; V231-I235 VanDerWaalsContact O-N 3.16Å; D233-I235 PolarHBondContact O-N 3.25Å; I235-T237 VanDerWaalsContact C-N 3.34Å; I235-T237 PolarHBondContact O-N 2.92Å; I235-F238 PolarHBondContact O-N 2.85Å; I235-L239 HydrophobicContact CG2-CD1 4.15Å; I235-L239 WeakPolarHBondContact O-CG 3.42Å; I235-L239 PolarHBondContact O-N 3.22Å; I235-L239 VanDerWaalsContact O-N 3.1Å
236C88.2Confident87.2Confident13 Ų1371.1 Ų71.19%0.08834%0.343CS..Hα-helixtrans-54.1-51.9174.21760000110.5G215 A219 A232 D233 P234 F238 L239 F240G215-C236 VanDerWaalsContact CA-SG 3.51Å; G215-C236 PolarHBondContact O-SG 3.19Å; A219-C236 HydrophobicContact CB-CB 4.23Å; A232-C236 WeakPolarHBondContact O-CB 3.41Å; A232-C236 PolarHBondContact O-N 3.09Å; D233-C236 WeakPolarHBondContact O-CB 3.42Å; D233-C236 PolarHBondContact O-N 3.49Å; P234-C236 VanDerWaalsContact C-N 3.33Å; P234-C236 PolarHBondContact O-N 3.11Å; C236-F238 VanDerWaalsContact C-N 3.34Å; C236-F238 PolarHBondContact O-N 2.93Å; C236-L239 PolarHBondContact O-N 3.06Å; C236-L239 VanDerWaalsContact O-N 3.14Å; C236-F240 WeakPolarHBondContact O-CD2 3.37Å; C236-F240 PolarHBondContact O-N 3.33Å; C236-F240 WeakPolarHBondContact SG-CD2 3.37Å; C236-F240 WeakPolarHBondContact SG-CE2 3.38Å
237T87.3Confident86.8Confident22 Ų2265.1 Ų65.114%0.13532%0.324CS..Hα-helixtrans-55.9-43.6179.4-55.70000112.7L120 A124 D233 P234 I235 S241L120-T237 HydrophobicContact CB-CG2 4.07Å; A124-T237 HydrophobicContact CB-CG2 4Å; D233-T237 PolarHBondContact O-N 2.9Å; D233-T237 PolarHBondContact O-OG1 3.04Å; P234-T237 WeakPolarHBondContact O-CB 3.42Å; P234-T237 PolarHBondContact O-N 3.45Å; I235-T237 VanDerWaalsContact C-N 3.34Å; I235-T237 PolarHBondContact O-N 2.92Å; T237-S241 VanDerWaalsContact O-CB 3.32Å; T237-S241 WeakPolarHBondContact O-CB 3.5Å; T237-S241 PolarHBondContact O-N 3.46Å; T237-S241 PolarHBondContact O-OG 3.44Å
238F91.1Very high86.8Confident62 Ų6261.5 Ų61.527%0.27230%0.301SS..Hα-helixtrans-64.6-44.4176.9-70-63.4000112.9V121 A124 I125 I128 P234 I235 C236 F240 S241 I242V121-F238 HydrophobicContact CG1-CD1 4.26Å; V121-F238 HydrophobicContact CG1-CE1 3.9Å; A124-F238 HydrophobicContact CB-CE2 4.45Å; A124-F238 HydrophobicContact CB-CZ 4.27Å; I125-F238 HydrophobicContact CD1-CE1 4.29Å; I125-F238 HydrophobicContact CG1-CE1 3.78Å; I125-F238 HydrophobicContact CG1-CZ 3.57Å; I128-F238 HydrophobicContact CD1-CE2 3.69Å; I128-F238 HydrophobicContact CD1-CZ 4.27Å; P234-F238 HydrophobicContact CB-CE2 4.35Å; P234-F238 WeakPolarHBondContact O-CD2 3.43Å; P234-F238 PolarHBondContact O-N 3.29Å; I235-F238 PolarHBondContact O-N 2.85Å; C236-F238 VanDerWaalsContact C-N 3.34Å; C236-F238 PolarHBondContact O-N 2.93Å; F238-F240 VanDerWaalsContact C-N 3.35Å; F238-F240 PolarHBondContact O-N 2.97Å; F238-S241 PolarHBondContact O-N 3.32Å; F238-I242 WeakPolarHBondContact O-CG1 3.32Å; F238-I242 PolarHBondContact O-N 3.42Å
239L90.8Very high87Confident112 Ų11257.2 Ų57.259%0.58628%0.283SS*.Hα-helixtrans-60.8-45.2179.1-70.2174.8000111.2I235 C236 I242 F243I235-L239 HydrophobicContact CG2-CD1 4.15Å; I235-L239 WeakPolarHBondContact O-CG 3.42Å; I235-L239 PolarHBondContact O-N 3.22Å; I235-L239 VanDerWaalsContact O-N 3.1Å; C236-L239 PolarHBondContact O-N 3.06Å; C236-L239 VanDerWaalsContact O-N 3.14Å; L239-I242 PolarHBondContact O-N 3.28Å; L239-F243 PolarHBondContact O-N 3.16Å; L239-F243 VanDerWaalsContact O-N 3.09Å
240F86.9Confident86.8Confident41 Ų4153.5 Ų53.518%0.1828%0.275CS..Hα-helixtrans-67.4-38.4176.6-73.6-67.4000112.5L211 Q212 C236 F238 I242 F243 V244L211-F240 VanDerWaalsContact C-CE1 3.42Å; L211-F240 HydrophobicContact CB-CD1 4.26Å; L211-F240 HydrophobicContact CB-CE1 3.92Å; L211-F240 WeakPolarHBondContact O-CE1 3.37Å; L211-F240 WeakPolarHBondContact O-CZ 3.34Å; Q212-F240 HydrophobicContact CB-CG 4.41Å; C236-F240 WeakPolarHBondContact O-CD2 3.37Å; C236-F240 PolarHBondContact O-N 3.33Å; C236-F240 WeakPolarHBondContact SG-CD2 3.37Å; C236-F240 WeakPolarHBondContact SG-CE2 3.38Å; F238-F240 VanDerWaalsContact C-N 3.35Å; F238-F240 PolarHBondContact O-N 2.97Å; F240-I242 VanDerWaalsContact C-N 3.32Å; F240-I242 PolarHBondContact O-N 2.95Å; F240-F243 WeakPolarHBondContact O-CB 3.34Å; F240-F243 PolarHBondContact O-N 3Å; F240-F243 VanDerWaalsContact O-N 3.15Å; F240-V244 WeakPolarHBondContact O-CB 3.37Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 2.73Å
241S88.1Confident86.7Confident7 Ų750.5 Ų50.55%0.04926%0.262CS..Hα-helixtrans-60-42.6176.4-60.70000112V121 T237 F238 V244 L245V121-S241 VanDerWaalsContact CG2-CB 3.49Å; V121-S241 WeakPolarHBondContact CG2-OG 3.44Å; T237-S241 VanDerWaalsContact O-CB 3.32Å; T237-S241 WeakPolarHBondContact O-CB 3.5Å; T237-S241 PolarHBondContact O-N 3.46Å; T237-S241 PolarHBondContact O-OG 3.44Å; F238-S241 PolarHBondContact O-N 3.32Å; S241-V244 PolarHBondContact O-N 2.83Å; S241-L245 WeakPolarHBondContact O-CB 3.17Å; S241-L245 VanDerWaalsContact O-CG 3.28Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.48Å
242I90.6Very high86.8Confident115 Ų11548.1 Ų48.159%0.5925%0.248SC*.Hα-helixtrans-63.6-44175-67.5167.9000110.8F238 L239 F240 L245 F246F238-I242 WeakPolarHBondContact O-CG1 3.32Å; F238-I242 PolarHBondContact O-N 3.42Å; L239-I242 PolarHBondContact O-N 3.28Å; F240-I242 VanDerWaalsContact C-N 3.32Å; F240-I242 PolarHBondContact O-N 2.95Å; I242-L245 PolarHBondContact O-N 2.95Å; I242-F246 PolarHBondContact O-N 3.3Å
243F87.4Confident86.9Confident89 Ų8954.8 Ų54.839%0.3927%0.268SS..Hα-helixtrans-61.6-46.5178.2177.8-91.9000112.3L211 L239 F240 F246 T247L211-F243 HydrophobicContact CD1-CD1 4.21Å; L211-F243 HydrophobicContact CD1-CE1 3.32Å; L211-F243 HydrophobicContact CD1-CZ 3.52Å; L239-F243 PolarHBondContact O-N 3.16Å; L239-F243 VanDerWaalsContact O-N 3.09Å; F240-F243 WeakPolarHBondContact O-CB 3.34Å; F240-F243 PolarHBondContact O-N 3Å; F240-F243 VanDerWaalsContact O-N 3.15Å; F243-F246 PolarHBondContact O-N 2.7Å; F243-T247 HydrophobicContact CD1-CG2 4.29Å; F243-T247 HydrophobicContact CE1-CG2 3.78Å; F243-T247 HydrophobicContact CE2-CG2 4.15Å; F243-T247 HydrophobicContact CZ-CG2 3.71Å; F243-T247 WeakPolarHBondContact O-CG2 3.14Å; F243-T247 PolarHBondContact O-N 3.21Å; F243-T247 PolarHBondContact O-OG1 3.26Å
244V85.1Confident86.8Confident10 Ų1055.2 Ų55.26%0.06127%0.271CS..Hα-helixtrans-62.1-43.7177.6169.50000110.8I113 F240 S241 F246 T247 T248I113-V244 HydrophobicContact CG2-CG1 3.36Å; F240-V244 WeakPolarHBondContact O-CB 3.37Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 2.73Å; S241-V244 PolarHBondContact O-N 2.83Å; V244-F246 PolarHBondContact O-N 3.26Å; V244-T247 PolarHBondContact O-N 3.06Å; V244-T247 PolarHBondContact O-OG1 3.16Å; V244-T247 VanDerWaalsContact O-OG1 3.05Å; V244-T248 HydrophobicContact CG1-CG2 4.22Å; V244-T248 WeakPolarHBondContact O-CB 3.26Å; V244-T248 VanDerWaalsContact O-CG2 3.28Å; V244-T248 WeakPolarHBondContact O-CG2 3.47Å; V244-T248 PolarHBondContact O-N 3.47Å; V244-T248 PolarHBondContact O-OG1 2.91Å
245L87.8Confident86.8Confident66 Ų6655.3 Ų55.335%0.34627%0.271SS..Hα-helixtrans-59.9-46.1175.2-73.8173000111.6W114 S241 I242 T248 L249W114-L245 HydrophobicContact CD2-CD2 4.01Å; W114-L245 HydrophobicContact CG-CD2 4.2Å; W114-L245 HydrophobicContact CZ2-CD2 4.26Å; S241-L245 WeakPolarHBondContact O-CB 3.17Å; S241-L245 VanDerWaalsContact O-CG 3.28Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.48Å; I242-L245 PolarHBondContact O-N 2.95Å; L245-T248 PolarHBondContact O-N 3.26Å; L245-T248 PolarHBondContact O-OG1 3.36Å; L245-L249 WeakPolarHBondContact O-CB 3.34Å; L245-L249 WeakPolarHBondContact O-CG 3.35Å; L245-L249 PolarHBondContact O-N 3.48Å
246F88.3Confident86.8Confident146 Ų14655.7 Ų55.764%0.6427%0.27SS*.Hα-helixtrans-62.3-46.9179.7-176.5-97.7000112.4I242 F243 V244I242-F246 PolarHBondContact O-N 3.3Å; F243-F246 PolarHBondContact O-N 2.7Å; V244-F246 PolarHBondContact O-N 3.26Å
247T81.6Confident86.8Confident34 Ų3461.2 Ų61.221%0.20929%0.288CS..Hα-helixtrans-65.5-43.4-179.655.20000111.5F243 V244 T250F243-T247 HydrophobicContact CD1-CG2 4.29Å; F243-T247 HydrophobicContact CE1-CG2 3.78Å; F243-T247 HydrophobicContact CE2-CG2 4.15Å; F243-T247 HydrophobicContact CZ-CG2 3.71Å; F243-T247 WeakPolarHBondContact O-CG2 3.14Å; F243-T247 PolarHBondContact O-N 3.21Å; F243-T247 PolarHBondContact O-OG1 3.26Å; V244-T247 PolarHBondContact O-N 3.06Å; V244-T247 PolarHBondContact O-OG1 3.16Å; V244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-T250 PolarHBondContact O-N 3.39Å; T247-T250 PolarHBondContact O-OG1 3.44Å
248T83.6Confident86.9Confident3 Ų360.8 Ų60.82%0.01829%0.285CS..Hα-helixtrans-72.3-30.8-17955.20000113.7I113 W114 V244 L245 T250 I251 L252I113-T248 HydrophobicContact CD1-CG2 4.14Å; I113-T248 HydrophobicContact CG2-CG2 4.24Å; W114-T248 PolarHBondContact NE1-OG1 3.48Å; V244-T248 HydrophobicContact CG1-CG2 4.22Å; V244-T248 WeakPolarHBondContact O-CB 3.26Å; V244-T248 VanDerWaalsContact O-CG2 3.28Å; V244-T248 WeakPolarHBondContact O-CG2 3.47Å; V244-T248 PolarHBondContact O-N 3.47Å; V244-T248 PolarHBondContact O-OG1 2.91Å; L245-T248 PolarHBondContact O-N 3.26Å; L245-T248 PolarHBondContact O-OG1 3.36Å; T248-T250 PolarHBondContact O-N 3.04Å; T248-I251 PolarHBondContact O-N 3.41Å; T248-I251 VanDerWaalsContact O-N 3.12Å; T248-L252 WeakPolarHBondContact O-CB 3.32Å; T248-L252 PolarHBondContact O-N 3Å
249L87.8Confident86.9Confident86 Ų8660.7 Ų60.745%0.4529%0.287SS..Hα-helixtrans-57-36.9173.5-82.3170.4000112.3W114 L245 L252 R253W114-L249 HydrophobicContact CH2-CD2 3.62Å; W114-L249 HydrophobicContact CH2-CG 4.39Å; W114-L249 HydrophobicContact CZ2-CD2 3.6Å; W114-L249 HydrophobicContact CZ2-CG 3.93Å; L245-L249 WeakPolarHBondContact O-CB 3.34Å; L245-L249 WeakPolarHBondContact O-CG 3.35Å; L245-L249 PolarHBondContact O-N 3.48Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-R253 PolarHBondContact O-N 2.9Å
250T81.7Confident87Confident64 Ų6462.4 Ų62.439%0.39329%0.294SS..Hα-helixtrans-65.7-39.1177.869.50000112.2T247 T248 D254T247-T250 PolarHBondContact O-N 3.39Å; T247-T250 PolarHBondContact O-OG1 3.44Å; T248-T250 PolarHBondContact O-N 3.04Å; T250-D254 VanDerWaalsContact O-CG 3.32Å; T250-D254 PolarHBondContact O-N 3.33Å
251I81.9Confident87.2Confident9 Ų965.7 Ų65.75%0.04631%0.31CS..Hα-helixtrans-69.2-44.4176.4-55.9172.7000110.1V110 I204 T248 R253 D254 V255V110-I251 HydrophobicContact CG2-CG2 4.11Å; I204-I251 HydrophobicContact CB-CD1 4Å; I204-I251 HydrophobicContact CD1-CD1 3.45Å; I204-I251 VanDerWaalsContact CD1-CD1 3.45Å; I204-I251 HydrophobicContact CD1-CG1 3.95Å; I204-I251 HydrophobicContact CG1-CD1 4.32Å; I204-I251 HydrophobicContact CG2-CD1 3.81Å; T248-I251 PolarHBondContact O-N 3.41Å; T248-I251 VanDerWaalsContact O-N 3.12Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 3.03Å; I251-D254 WeakPolarHBondContact O-CB 2.99Å; I251-D254 PolarHBondContact O-N 3.37Å; I251-V255 HydrophobicContact CG2-CG2 4.24Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.32Å
252L86.7Confident87.3Confident16 Ų1666.4 Ų66.48%0.08432%0.318CS..Hα-helixtrans-58.7-44.4-178.5-172.660.9000110.8F107 V110 M111 W114 T248 L249 D254 V255 F256F107-L252 HydrophobicContact CD2-CD1 3.69Å; F107-L252 HydrophobicContact CE2-CD1 3.65Å; V110-L252 HydrophobicContact CG1-CB 4.49Å; V110-L252 HydrophobicContact CG1-CD1 4.41Å; M111-L252 HydrophobicContact CE-CD1 3.84Å; M111-L252 HydrophobicContact CE-CD2 3.99Å; W114-L252 HydrophobicContact CH2-CD2 3.84Å; W114-L252 HydrophobicContact CZ2-CD2 3.9Å; T248-L252 WeakPolarHBondContact O-CB 3.32Å; T248-L252 PolarHBondContact O-N 3Å; L249-L252 PolarHBondContact O-N 3.43Å; L252-D254 VanDerWaalsContact C-N 3.31Å; L252-D254 PolarHBondContact O-N 3.11Å; L252-V255 PolarHBondContact O-N 3.14Å; L252-F256 HydrophobicContact CD1-CD2 3.86Å; L252-F256 HydrophobicContact CD1-CE2 3.46Å; L252-F256 VanDerWaalsContact CD1-CE2 3.46Å; L252-F256 HydrophobicContact CD1-CZ 4.37Å; L252-F256 HydrophobicContact CD2-CE2 4.01Å; L252-F256 HydrophobicContact CG-CD2 3.7Å; L252-F256 HydrophobicContact CG-CE2 3.5Å; L252-F256 WeakPolarHBondContact O-CB 3.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.28Å; L252-F256 PolarHBondContact O-N 2.92Å
253R87.2Confident87.2Confident160 Ų16062.4 Ų62.460%0.60430%0.301SS*.Hα-helixtrans-56.7-43.3172.9-177.8-168.963.5178.9-6.2112.2L249 I251 R257L249-R253 PolarHBondContact O-N 2.9Å; I251-R253 VanDerWaalsContact C-N 3.29Å; I251-R253 PolarHBondContact O-N 3.03Å; R253-R257 WeakPolarHBondContact O-CB 3.36Å; R253-R257 PolarHBondContact O-N 2.96Å
254D83.5Confident87Confident16 Ų1659 Ų599%0.08629%0.287CS..Hα-helixtrans-65.7-43.7179.8-66.8-2000111.7R200 T250 I251 L252 R257 I258 K265R200-D254 IonicContact NH2-OD2 3.64Å; T250-D254 VanDerWaalsContact O-CG 3.32Å; T250-D254 PolarHBondContact O-N 3.33Å; I251-D254 WeakPolarHBondContact O-CB 2.99Å; I251-D254 PolarHBondContact O-N 3.37Å; L252-D254 VanDerWaalsContact C-N 3.31Å; L252-D254 PolarHBondContact O-N 3.11Å; D254-R257 PolarHBondContact O-N 3.11Å; D254-I258 WeakPolarHBondContact O-CG1 3.3Å; D254-I258 PolarHBondContact O-N 3.19Å; D254-I258 VanDerWaalsContact O-N 3.12Å; D254-K265 VanDerWaalsContact CG-CE 3.4Å; D254-K265 WeakPolarHBondContact OD1-CE 3.36Å; D254-K265 IonicContact OD1-NZ 3.59Å; D254-K265 PolarHBondContact OD1-NZ 2.65Å; D254-K265 WeakPolarHBondContact OD2-CE 3.1Å; D254-K265 IonicContact OD2-NZ 2.7Å; D254-K265 PolarHBondContact OD2-NZ 3.27Å
255V86.9Confident86.7Confident2 Ų263.6 Ų63.61%0.01231%0.307CS..Hα-helixtrans-62-48.2176.7166.60000110.4I103 A106 F107 I251 L252 R257 I258 L259I103-V255 HydrophobicContact CG2-CB 4.3Å; I103-V255 HydrophobicContact CG2-CG1 3.69Å; I103-V255 HydrophobicContact CG2-CG2 4.41Å; A106-V255 HydrophobicContact CB-CG2 4.34Å; F107-V255 HydrophobicContact CB-CG1 3.84Å; F107-V255 HydrophobicContact CD2-CG1 4.1Å; F107-V255 HydrophobicContact CG-CG1 4.42Å; I251-V255 HydrophobicContact CG2-CG2 4.24Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.32Å; L252-V255 PolarHBondContact O-N 3.14Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.36Å; V255-I258 PolarHBondContact O-N 3.44Å; V255-L259 HydrophobicContact CG1-CD1 3.92Å; V255-L259 HydrophobicContact CG1-CG 4.39Å; V255-L259 WeakPolarHBondContact O-CG 3.29Å; V255-L259 PolarHBondContact O-N 3.28Å
256F90.6Very high86.4Confident97 Ų9764.6 Ų64.643%0.42533%0.333SS..Hα-helixtrans-59.8-41.8175.5-85-64.4000112.1F107 L252 I258 L259 M260F107-F256 HydrophobicContact CE2-CE1 4.25Å; F107-F256 AromaticContact CE2-CE2 3.99Å; F107-F256 HydrophobicContact CE2-CE2 3.99Å; F107-F256 AromaticContact CE2-CZ 3.62Å; F107-F256 HydrophobicContact CE2-CZ 3.62Å; F107-F256 HydrophobicContact CZ-CZ 4.27Å; L252-F256 HydrophobicContact CD1-CD2 3.86Å; L252-F256 HydrophobicContact CD1-CE2 3.46Å; L252-F256 VanDerWaalsContact CD1-CE2 3.46Å; L252-F256 HydrophobicContact CD1-CZ 4.37Å; L252-F256 HydrophobicContact CD2-CE2 4.01Å; L252-F256 HydrophobicContact CG-CD2 3.7Å; L252-F256 HydrophobicContact CG-CE2 3.5Å; L252-F256 WeakPolarHBondContact O-CB 3.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.28Å; L252-F256 PolarHBondContact O-N 2.92Å; F256-I258 VanDerWaalsContact C-N 3.29Å; F256-I258 PolarHBondContact O-N 3.38Å; F256-L259 PolarHBondContact O-N 3.31Å; F256-M260 VanDerWaalsContact O-CB 3.27Å; F256-M260 WeakPolarHBondContact O-CB 3.48Å; F256-M260 WeakPolarHBondContact O-CG 3.45Å; F256-M260 PolarHBondContact O-N 2.92Å
257R88.8Confident86.2Confident128 Ų12858.9 Ų58.948%0.48331%0.309SS..Hα-helixtrans-58.7-41.9177.3-166.6178.4-156.1179.56.4111.8R253 D254 V255 E261 G262R253-R257 WeakPolarHBondContact O-CB 3.36Å; R253-R257 PolarHBondContact O-N 2.96Å; D254-R257 PolarHBondContact O-N 3.11Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.36Å; R257-E261 PolarHBondContact O-N 3Å; R257-G262 WeakPolarHBondContact O-CA 3.18Å; R257-G262 PolarHBondContact O-N 3.29Å
258I88.4Confident86.6Confident14 Ų1463.8 Ų63.87%0.07233%0.329CS..Hα-helixtrans-69.3-43.2177.8-64.1167.3000111.1I103 D254 V255 F256 M260 E261 A292 L295I103-I258 HydrophobicContact CD1-CD1 3.82Å; I103-I258 HydrophobicContact CD1-CG2 4.33Å; I103-I258 HydrophobicContact CG1-CG2 3.93Å; I103-I258 HydrophobicContact CG2-CB 4.31Å; I103-I258 HydrophobicContact CG2-CG2 4.24Å; D254-I258 WeakPolarHBondContact O-CG1 3.3Å; D254-I258 PolarHBondContact O-N 3.19Å; D254-I258 VanDerWaalsContact O-N 3.12Å; V255-I258 PolarHBondContact O-N 3.44Å; F256-I258 VanDerWaalsContact C-N 3.29Å; F256-I258 PolarHBondContact O-N 3.38Å; I258-M260 VanDerWaalsContact C-N 3.27Å; I258-M260 PolarHBondContact O-N 3.45Å; I258-E261 PolarHBondContact O-N 2.85Å; I258-A292 HydrophobicContact CG1-CB 4.49Å; I258-L295 HydrophobicContact CD1-CD2 4.25Å
259L90.8Very high87Confident59 Ų5965.4 Ų65.431%0.30934%0.336SS..Hα-helixtrans-64.6-32.5178.3-68.8176.8000112.8I103 V255 F256 E261I103-L259 HydrophobicContact CG2-CD2 3.93Å; I103-L259 HydrophobicContact CG2-CG 3.93Å; V255-L259 HydrophobicContact CG1-CD1 3.92Å; V255-L259 HydrophobicContact CG1-CG 4.39Å; V255-L259 WeakPolarHBondContact O-CG 3.29Å; V255-L259 PolarHBondContact O-N 3.28Å; F256-L259 PolarHBondContact O-N 3.31Å; L259-E261 VanDerWaalsContact C-N 3.26Å; L259-E261 PolarHBondContact O-N 3.4Å
260M92.8Very high87.2Confident148 Ų14865.3 Ų65.373%0.72934%0.336SS*.THydrogen-bonded Turntrans-87.714.2177.5-64.4-61.9-63.400113.2F256 I258 G262F256-M260 VanDerWaalsContact O-CB 3.27Å; F256-M260 WeakPolarHBondContact O-CB 3.48Å; F256-M260 WeakPolarHBondContact O-CG 3.45Å; F256-M260 PolarHBondContact O-N 2.92Å; I258-M260 VanDerWaalsContact C-N 3.27Å; I258-M260 PolarHBondContact O-N 3.45Å; M260-G262 PolarHBondContact O-N 2.79Å
261E92.4Very high87.7Confident110 Ų11063.2 Ų63.251%0.51432%0.324SS..THydrogen-bonded Turntrans59.429.3176.9-44.7-162.1142.800113.9R100 R257 I258 L259 W291R100-E261 IonicContact CZ-OE1 2.71Å; R100-E261 IonicContact NH1-OE1 3.93Å; R100-E261 PolarHBondContact NH1-OE1 3.29Å; R100-E261 IonicContact NH2-OE1 3.39Å; R100-E261 PolarHBondContact NH2-OE1 3.34Å; R257-E261 PolarHBondContact O-N 3Å; I258-E261 PolarHBondContact O-N 2.85Å; L259-E261 VanDerWaalsContact C-N 3.26Å; L259-E261 PolarHBondContact O-N 3.4Å; E261-W291 HydrophobicContact CB-CB 4.14Å; E261-W291 WeakPolarHBondContact O-CB 2.95Å
262G88.9Confident88.3Confident22 Ų2262.8 Ų62.823%0.22732%0.322CS..PPolyproline II helixtrans-70.2156.6177.600000112.9R257 M260R257-G262 WeakPolarHBondContact O-CA 3.18Å; R257-G262 PolarHBondContact O-N 3.29Å; M260-G262 PolarHBondContact O-N 2.79Å
263S88.4Confident88.7Confident31 Ų3163.8 Ų63.822%0.21733%0.325CS..PPolyproline II helixtrans-54.6135.7179-175.60000111.9I267 L290S263-I267 PolarHBondContact OG-O 3.49Å; S263-L290 WeakPolarHBondContact CA-O 3.39Å
264P84.5Confident89Confident17 Ų1761.5 Ų61.511%0.1132%0.322CS..PPolyproline II helixtrans-54.2143.3174.718-28.5000111.8G266 I267 A292P264-G266 PolarHBondContact O-N 2.81Å; P264-I267 HydrophobicContact CB-CD1 4.28Å; P264-I267 HydrophobicContact CG-CB 4.13Å; P264-I267 HydrophobicContact CG-CD1 3.81Å; P264-I267 HydrophobicContact CG-CG1 4.31Å; P264-I267 PolarHBondContact O-N 3.39Å; P264-A292 HydrophobicContact CB-CB 4.3Å
265K78.9Confident89.5Confident108 Ų10861.3 Ų61.347%0.4732%0.321SS..THydrogen-bonded Turntrans-63.7133.8178.4-72.5-172.8168.6-166.90110.6D254 I267D254-K265 VanDerWaalsContact CG-CE 3.4Å; D254-K265 WeakPolarHBondContact OD1-CE 3.36Å; D254-K265 IonicContact OD1-NZ 3.59Å; D254-K265 PolarHBondContact OD1-NZ 2.65Å; D254-K265 WeakPolarHBondContact OD2-CE 3.1Å; D254-K265 IonicContact OD2-NZ 2.7Å; D254-K265 PolarHBondContact OD2-NZ 3.27Å; K265-I267 VanDerWaalsContact C-N 3.32Å
266G79.8Confident89.9Confident87 Ų8761.2 Ų61.290%0.89732%0.321SS*.THydrogen-bonded Turntrans85.4-0.4178.700000114.6P264P264-G266 PolarHBondContact O-N 2.81Å
267I86Confident90.1Very high26 Ų2660.1 Ų60.113%0.13332%0.319CS..  trans-112.2113.6171.6-59179.6000108.2S263 P264 K265 V272 L290 F327 F329S263-I267 PolarHBondContact OG-O 3.49Å; P264-I267 HydrophobicContact CB-CD1 4.28Å; P264-I267 HydrophobicContact CG-CB 4.13Å; P264-I267 HydrophobicContact CG-CD1 3.81Å; P264-I267 HydrophobicContact CG-CG1 4.31Å; P264-I267 PolarHBondContact O-N 3.39Å; K265-I267 VanDerWaalsContact C-N 3.32Å; I267-V272 HydrophobicContact CG2-CG2 3.49Å; I267-V272 VanDerWaalsContact CG2-CG2 3.49Å; I267-L290 HydrophobicContact CG2-CD1 4.17Å; I267-F327 HydrophobicContact CD1-CB 4.4Å; I267-F327 HydrophobicContact CG2-CD1 4.3Å; I267-F329 HydrophobicContact CD1-CE1 4.08Å; I267-F329 HydrophobicContact CD1-CZ 3.99Å; I267-F329 HydrophobicContact CG2-CZ 4.05Å
268E89Confident90.4Very high136 Ų13659.1 Ų59.164%0.63633%0.327SS*.  trans-88.1136.8176.4-64.1-169.4172.200110.7N270 S271 V272E268-N270 PolarHBondContact O-N 3.49Å; E268-S271 PolarHBondContact O-N 3.29Å; E268-V272 PolarHBondContact O-N 3.46Å
269F91.7Very high90.7Very high37 Ų3758.6 Ų58.616%0.16232%0.324CS..Hα-helixtrans-56.6-49-179.7176.2-87.1000111.6S271 V272 K273 L288 D351 P352F269-S271 PolarHBondContact O-N 3.32Å; F269-V272 PolarHBondContact O-N 3.06Å; F269-K273 HydrophobicContact CE1-CD 4.26Å; F269-K273 PolarHBondContact O-N 2.66Å; F269-L288 HydrophobicContact CD2-CD2 3.85Å; F269-L288 HydrophobicContact CD2-CG 4.11Å; F269-L288 HydrophobicContact CE1-CD2 4.45Å; F269-L288 HydrophobicContact CE2-CB 3.68Å; F269-L288 HydrophobicContact CE2-CD2 3.65Å; F269-L288 HydrophobicContact CE2-CG 3.71Å; F269-L288 WeakPolarHBondContact CE2-O 3.25Å; F269-L288 HydrophobicContact CG-CD2 4.35Å; F269-L288 HydrophobicContact CZ-CB 4.02Å; F269-L288 HydrophobicContact CZ-CD2 3.97Å; F269-L288 HydrophobicContact CZ-CG 4.32Å; F269-D351 HydrophobicContact CE1-CB 4.34Å; F269-P352 HydrophobicContact CE2-CG 4Å; F269-P352 VanDerWaalsContact CZ-CD 3.47Å; F269-P352 HydrophobicContact CZ-CG 4.1Å
270N92.4Very high90.7Very high84 Ų8463.6 Ų63.645%0.44934%0.344SS..Hα-helixtrans-64-40.9-177.4-67.7-33.4000111.9E268 V272 K273 E274E268-N270 PolarHBondContact O-N 3.49Å; N270-V272 VanDerWaalsContact C-N 3.34Å; N270-V272 PolarHBondContact O-N 3.19Å; N270-K273 PolarHBondContact O-N 2.87Å; N270-E274 WeakPolarHBondContact O-CB 3.4Å; N270-E274 VanDerWaalsContact O-CG 3.31Å; N270-E274 WeakPolarHBondContact O-CG 3.33Å; N270-E274 PolarHBondContact O-N 3.04Å
271S92.7Very high90.7Very high20 Ų2057.5 Ų57.514%0.1432%0.317CS..Hα-helixtrans-63.1-38.6177.5-50.80000112.6E268 F269 V275E268-S271 PolarHBondContact O-N 3.29Å; F269-S271 PolarHBondContact O-N 3.32Å; S271-V275 WeakPolarHBondContact O-CB 3.24Å; S271-V275 WeakPolarHBondContact O-CG2 3.28Å; S271-V275 PolarHBondContact O-N 3.48Å
272V93.9Very high90.8Very high0 Ų053.1 Ų53.10%030%0.298CS..Hα-helixtrans-65.8-44.4175177.40000110.4I267 E268 F269 N270 V275 L276 L288 L290 L323 F327 F329I267-V272 HydrophobicContact CG2-CG2 3.49Å; I267-V272 VanDerWaalsContact CG2-CG2 3.49Å; E268-V272 PolarHBondContact O-N 3.46Å; F269-V272 PolarHBondContact O-N 3.06Å; N270-V272 VanDerWaalsContact C-N 3.34Å; N270-V272 PolarHBondContact O-N 3.19Å; V272-V275 PolarHBondContact O-N 2.93Å; V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 WeakPolarHBondContact O-CG 3.23Å; V272-L276 PolarHBondContact O-N 3.31Å; V272-L288 HydrophobicContact CB-CD2 4.33Å; V272-L288 HydrophobicContact CG1-CD1 4.18Å; V272-L288 HydrophobicContact CG1-CD2 4.2Å; V272-L290 HydrophobicContact CB-CD1 4.38Å; V272-L290 HydrophobicContact CG1-CD2 4.44Å; V272-L290 HydrophobicContact CG2-CD1 4.04Å; V272-L323 HydrophobicContact CG1-CD2 3.77Å; V272-F327 HydrophobicContact CB-CE2 4.38Å; V272-F327 HydrophobicContact CB-CZ 4.25Å; V272-F327 HydrophobicContact CG1-CE2 4.44Å; V272-F327 HydrophobicContact CG2-CD1 3.98Å; V272-F327 HydrophobicContact CG2-CD2 4.26Å; V272-F327 HydrophobicContact CG2-CE1 3.76Å; V272-F327 HydrophobicContact CG2-CE2 4.04Å; V272-F327 HydrophobicContact CG2-CG 4.23Å; V272-F327 HydrophobicContact CG2-CZ 3.78Å; V272-F329 HydrophobicContact CG2-CE2 4.37Å; V272-F329 HydrophobicContact CG2-CZ 4.4Å
273K94.5Very high91Very high37 Ų3757.6 Ų57.616%0.16131%0.311CS..Hα-helixtrans-60.8-50178.5-178.6174.4179.3169.50112.3F269 N270 V275 L276 L277 V285 L288 D351F269-K273 HydrophobicContact CE1-CD 4.26Å; F269-K273 PolarHBondContact O-N 2.66Å; N270-K273 PolarHBondContact O-N 2.87Å; K273-V275 VanDerWaalsContact C-N 3.28Å; K273-V275 PolarHBondContact O-N 3.4Å; K273-L276 PolarHBondContact O-N 2.88Å; K273-L277 HydrophobicContact CG-CD1 4.1Å; K273-L277 WeakPolarHBondContact O-CG 3.48Å; K273-L277 PolarHBondContact O-N 3.17Å; K273-V285 HydrophobicContact CG-CB 4.21Å; K273-V285 HydrophobicContact CG-CG1 4.38Å; K273-L288 HydrophobicContact CB-CD2 4.12Å; K273-D351 IonicContact NZ-OD1 3.5Å; K273-D351 PolarHBondContact NZ-OD1 3.01Å; K273-D351 IonicContact NZ-OD2 2.81Å; K273-D351 PolarHBondContact NZ-OD2 3.09Å
274E94.4Very high91.3Very high113 Ų11357.7 Ų57.753%0.52831%0.311SS..Hα-helixtrans-57.1-43.9178.4-76170.1-172.400111.3N270 L277 T278N270-E274 WeakPolarHBondContact O-CB 3.4Å; N270-E274 VanDerWaalsContact O-CG 3.31Å; N270-E274 WeakPolarHBondContact O-CG 3.33Å; N270-E274 PolarHBondContact O-N 3.04Å; E274-L277 PolarHBondContact O-N 2.91Å; E274-T278 WeakPolarHBondContact O-CG2 3.48Å; E274-T278 PolarHBondContact O-N 3.03Å
275V94.2Very high91.7Very high12 Ų1257 Ų577%0.07331%0.307CS..Hα-helixtrans-64.8-42.7178.1169.50000111.7S271 V272 K273 L277 T278 L322 K326 F327S271-V275 WeakPolarHBondContact O-CB 3.24Å; S271-V275 WeakPolarHBondContact O-CG2 3.28Å; S271-V275 PolarHBondContact O-N 3.48Å; V272-V275 PolarHBondContact O-N 2.93Å; K273-V275 VanDerWaalsContact C-N 3.28Å; K273-V275 PolarHBondContact O-N 3.4Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 3.38Å; V275-T278 PolarHBondContact O-N 3.23Å; V275-T278 VanDerWaalsContact O-N 3.14Å; V275-T278 PolarHBondContact O-OG1 3.4Å; V275-L322 HydrophobicContact CG1-CD1 3.95Å; V275-L322 HydrophobicContact CG1-CD2 3.28Å; V275-L322 HydrophobicContact CG1-CG 3.45Å; V275-L322 VanDerWaalsContact CG1-CG 3.45Å; V275-L322 WeakPolarHBondContact O-CD2 3.05Å; V275-K326 HydrophobicContact CG1-CD 3.95Å; V275-K326 HydrophobicContact CG2-CD 3.96Å; V275-F327 HydrophobicContact CB-CE2 4.03Å; V275-F327 HydrophobicContact CB-CZ 4.1Å; V275-F327 HydrophobicContact CG1-CE2 3.87Å; V275-F327 HydrophobicContact CG1-CZ 4.36Å; V275-F327 HydrophobicContact CG2-CE2 4.28Å; V275-F327 HydrophobicContact CG2-CZ 3.93Å
276L95.1Very high92.4Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-65.6-31.9176-72.8172.8000112.7V272 K273 T278 V279 V285 V302 L304 A319 L323V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 WeakPolarHBondContact O-CG 3.23Å; V272-L276 PolarHBondContact O-N 3.31Å; K273-L276 PolarHBondContact O-N 2.88Å; L276-T278 PolarHBondContact O-N 2.92Å; L276-V279 WeakPolarHBondContact O-CB 3.48Å; L276-V279 WeakPolarHBondContact O-CG2 3.44Å; L276-V279 PolarHBondContact O-N 3.05Å; L276-V285 HydrophobicContact CB-CG2 3.87Å; L276-V285 HydrophobicContact CD1-CG1 4.18Å; L276-V302 HydrophobicContact CD1-CB 4.49Å; L276-V302 HydrophobicContact CD1-CG1 4.2Å; L276-V302 HydrophobicContact CD1-CG2 3.95Å; L276-L304 HydrophobicContact CB-CD2 4.28Å; L276-L304 HydrophobicContact CD1-CD2 4.33Å; L276-A319 HydrophobicContact CD2-CB 4Å; L276-L323 HydrophobicContact CD1-CD2 4.29Å; L276-L323 HydrophobicContact CD2-CD1 4.04Å; L276-L323 HydrophobicContact CD2-CD2 4.12Å; L276-L323 HydrophobicContact CD2-CG 3.95Å; L276-L323 HydrophobicContact CG-CD2 4.32Å
277L95.1Very high93.1Very high74 Ų7449.4 Ų49.439%0.38725%0.253SS..Hα-helixtrans-69.5-18.5174.2-72.5167.8000113.3K273 E274 V275 V279 V282 V285K273-L277 HydrophobicContact CG-CD1 4.1Å; K273-L277 WeakPolarHBondContact O-CG 3.48Å; K273-L277 PolarHBondContact O-N 3.17Å; E274-L277 PolarHBondContact O-N 2.91Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 3.38Å; L277-V279 VanDerWaalsContact C-N 3.28Å; L277-V282 HydrophobicContact CD2-CG1 4.46Å; L277-V285 HydrophobicContact CD2-CG2 3.77Å; L277-V285 HydrophobicContact CG-CG2 3.86Å
278T94.9Very high93.5Very high106 Ų10648.8 Ų48.865%0.6525%0.25SS*.THydrogen-bonded Turntrans-76.4-15.317467.70000113.7E274 V275 L276 K280E274-T278 WeakPolarHBondContact O-CG2 3.48Å; E274-T278 PolarHBondContact O-N 3.03Å; V275-T278 PolarHBondContact O-N 3.23Å; V275-T278 VanDerWaalsContact O-N 3.14Å; V275-T278 PolarHBondContact O-OG1 3.4Å; L276-T278 PolarHBondContact O-N 2.92Å; T278-K280 PolarHBondContact O-N 2.94Å
279V93.6Very high93.8Very high3 Ų347.5 Ų47.52%0.01824%0.244CC..SBendtrans-66133178.1177.60000109.3L276 L277 A281 V282 V315 E318 A319 L322L276-V279 WeakPolarHBondContact O-CB 3.48Å; L276-V279 WeakPolarHBondContact O-CG2 3.44Å; L276-V279 PolarHBondContact O-N 3.05Å; L277-V279 VanDerWaalsContact C-N 3.28Å; V279-A281 PolarHBondContact O-N 2.94Å; V279-V282 HydrophobicContact CB-CG2 3.83Å; V279-V282 HydrophobicContact CG1-CG2 3.92Å; V279-V282 PolarHBondContact O-N 2.84Å; V279-V315 HydrophobicContact CG1-CG1 4.05Å; V279-E318 HydrophobicContact CG1-CB 4.2Å; V279-E318 HydrophobicContact CG1-CG 4.09Å; V279-E318 HydrophobicContact CG2-CG 4.49Å; V279-A319 HydrophobicContact CG2-CB 4.46Å; V279-L322 HydrophobicContact CG2-CD2 3.74Å
280K91.1Very high93.9Very high164 Ų16446.5 Ų46.571%0.71324%0.24SC*.THydrogen-bonded Turntrans-57.7141.5-177.9-170.8179.4178.2-174.30110.4T278 V282T278-K280 PolarHBondContact O-N 2.94Å; K280-V282 PolarHBondContact O-N 3.13Å
281A93.1Very high93.9Very high21 Ų2144.5 Ų44.517%0.17423%0.226CC..THydrogen-bonded Turntrans70.7-2.4178.700000116.7V279 I306 E307 A310 V315V279-A281 PolarHBondContact O-N 2.94Å; A281-I306 VanDerWaalsContact O-CA 3.25Å; A281-I306 WeakPolarHBondContact O-CA 3.3Å; A281-E307 HydrophobicContact CB-CG 3.93Å; A281-E307 WeakPolarHBondContact CB-OE1 3.29Å; A281-E307 PolarHBondContact O-N 3.3Å; A281-A310 HydrophobicContact CB-CB 3.5Å; A281-A310 VanDerWaalsContact CB-CB 3.5Å; A281-V315 HydrophobicContact CB-CG2 4.3Å
282V95.3Very high93.7Very high17 Ų1743.9 Ų43.910%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-78.9120.9172.2179.40000109.8L277 V279 K280 V285 L304 I306 V315L277-V282 HydrophobicContact CD2-CG1 4.46Å; V279-V282 HydrophobicContact CB-CG2 3.83Å; V279-V282 HydrophobicContact CG1-CG2 3.92Å; V279-V282 PolarHBondContact O-N 2.84Å; K280-V282 PolarHBondContact O-N 3.13Å; V282-V285 HydrophobicContact CG1-CG2 3.99Å; V282-L304 HydrophobicContact CG1-CD2 4.35Å; V282-L304 HydrophobicContact CG2-CD1 4.4Å; V282-I306 HydrophobicContact CG2-CG2 4.38Å; V282-V315 HydrophobicContact CG2-CG1 3.72Å
283K93.2Very high93.2Very high116 Ų11644.2 Ų44.250%0.50422%0.224SC..EExtended strand (participates in β ladder)trans-95.2-34.3176-76.8-171.6170.6179.60113.1A305 E307 Y339K283-A305 PolarHBondContact N-O 3.34Å; K283-E307 HydrophobicContact CD-CB 4.25Å; K283-E307 HydrophobicContact CG-CB 4.44Å; K283-Y339 HydrophobicContact CB-CD2 3.8Å; K283-Y339 HydrophobicContact CB-CE2 4.36Å; K283-Y339 HydrophobicContact CB-CG 4.04Å; K283-Y339 HydrophobicContact CD-CD1 3.88Å; K283-Y339 HydrophobicContact CD-CD2 4.34Å; K283-Y339 HydrophobicContact CD-CG 3.78Å
284S92.9Very high92.5Very high33 Ų3343 Ų4323%0.23122%0.22CC..EExtended strand (participates in β ladder)trans-149.8150.9-178.4-177.70000111.2A305S284-A305 PolarHBondContact N-O 2.75Å; S284-A305 PolarHBondContact O-N 3.25Å
285V94.7Very high91.4Very high2 Ų240.1 Ų40.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-124.3125.3174.5-179.50000107.2K273 L276 L277 V282 V302 L304K273-V285 HydrophobicContact CG-CB 4.21Å; K273-V285 HydrophobicContact CG-CG1 4.38Å; L276-V285 HydrophobicContact CB-CG2 3.87Å; L276-V285 HydrophobicContact CD1-CG1 4.18Å; L277-V285 HydrophobicContact CD2-CG2 3.77Å; L277-V285 HydrophobicContact CG-CG2 3.86Å; V282-V285 HydrophobicContact CG1-CG2 3.99Å; V285-V302 HydrophobicContact CG1-CG2 3.5Å; V285-L304 HydrophobicContact CB-CD2 4.41Å; V285-L304 HydrophobicContact CG1-CD2 4.18Å; V285-L304 HydrophobicContact CG2-CD2 3.74Å
286H93.5Very high90.3Very high5 Ų541.6 Ų41.62%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-145.5171.817958.786.1000111L288 H303 E337 M343 C349H286-L288 PolarHBondContact O-N 3.12Å; H286-L288 VanDerWaalsContact O-N 3.11Å; H286-H303 WeakPolarHBondContact CE1-CB 3.45Å; H286-H303 AromaticContact CE1-CG 3.9Å; H286-H303 AromaticContact CE1-ND1 3.85Å; H286-H303 PolarHBondContact N-O 3.24Å; H286-H303 VanDerWaalsContact N-O 3.12Å; H286-H303 WeakPolarHBondContact O-CB 3.3Å; H286-H303 PolarHBondContact O-N 3.5Å; H286-E337 IonicContact CE1-OE1 2.98Å; H286-E337 PolarHBondContact CE1-OE1 3.02Å; H286-E337 IonicContact NE2-OE1 3.19Å; H286-E337 PolarHBondContact NE2-OE1 3.44Å; H286-M343 WeakPolarHBondContact NE2-CE 3.29Å; H286-C349 HydrophobicContact CB-CB 3.92Å; H286-C349 WeakPolarHBondContact CB-O 3.46Å
287S92.9Very high89.5Confident32 Ų3242.1 Ų42.122%0.22423%0.228CC..EExtended strand (participates in β ladder)trans49.939.2-176.4-530000112H289S287-H289 PolarHBondContact O-CD2 2.91Å; S287-H289 PolarHBondContact O-N 3.37Å
288L94.9Very high89.2Confident12 Ų1239.3 Ų39.36%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-76.2110.6177.7176.161.8000108.6F269 V272 K273 H286 L290 V300 V302F269-L288 HydrophobicContact CD2-CD2 3.85Å; F269-L288 HydrophobicContact CD2-CG 4.11Å; F269-L288 HydrophobicContact CE1-CD2 4.45Å; F269-L288 HydrophobicContact CE2-CB 3.68Å; F269-L288 HydrophobicContact CE2-CD2 3.65Å; F269-L288 HydrophobicContact CE2-CG 3.71Å; F269-L288 WeakPolarHBondContact CE2-O 3.25Å; F269-L288 HydrophobicContact CG-CD2 4.35Å; F269-L288 HydrophobicContact CZ-CB 4.02Å; F269-L288 HydrophobicContact CZ-CD2 3.97Å; F269-L288 HydrophobicContact CZ-CG 4.32Å; V272-L288 HydrophobicContact CB-CD2 4.33Å; V272-L288 HydrophobicContact CG1-CD1 4.18Å; V272-L288 HydrophobicContact CG1-CD2 4.2Å; K273-L288 HydrophobicContact CB-CD2 4.12Å; H286-L288 PolarHBondContact O-N 3.12Å; H286-L288 VanDerWaalsContact O-N 3.11Å; L288-L290 HydrophobicContact CD1-CD2 3.74Å; L288-L290 HydrophobicContact CD1-CG 4.26Å; L288-L290 HydrophobicContact CG-CD2 4.27Å; L288-L290 HydrophobicContact CG-CG 4.25Å; L288-V300 HydrophobicContact CD1-CG2 3.89Å; L288-V302 HydrophobicContact CB-CG2 4.19Å; L288-V302 HydrophobicContact CD1-CB 3.78Å; L288-V302 HydrophobicContact CD1-CG2 3.78Å
289H94.7Very high89.1Confident110 Ų11034.3 Ų34.351%0.50918%0.184SC..EExtended strand (participates in β ladder)trans-115121.4177.1-62.9-72.2000109.2S287 W291 V300 S301S287-H289 PolarHBondContact O-CD2 2.91Å; S287-H289 PolarHBondContact O-N 3.37Å; H289-W291 HydrophobicContact CB-CE3 4.15Å; H289-W291 HydrophobicContact CB-CZ3 3.98Å; H289-W291 WeakPolarHBondContact O-CZ3 3.23Å; H289-V300 WeakPolarHBondContact O-CA 3.41Å; H289-S301 PolarHBondContact N-O 3Å; H289-S301 PolarHBondContact O-N 2.92Å
290L94.1Very high89.1Confident15 Ų1534.2 Ų34.28%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-118.5123.1178.9-54.8-179.2000108.2S263 I267 V272 L288 V300 F329S263-L290 WeakPolarHBondContact CA-O 3.39Å; I267-L290 HydrophobicContact CG2-CD1 4.17Å; V272-L290 HydrophobicContact CB-CD1 4.38Å; V272-L290 HydrophobicContact CG1-CD2 4.44Å; V272-L290 HydrophobicContact CG2-CD1 4.04Å; L288-L290 HydrophobicContact CD1-CD2 3.74Å; L288-L290 HydrophobicContact CD1-CG 4.26Å; L288-L290 HydrophobicContact CG-CD2 4.27Å; L288-L290 HydrophobicContact CG-CG 4.25Å; L290-V300 HydrophobicContact CD2-CB 3.83Å; L290-V300 HydrophobicContact CD2-CG2 3.51Å; L290-F329 HydrophobicContact CD2-CE1 4.11Å; L290-F329 HydrophobicContact CD2-CZ 3.68Å
291W93.6Very high89.4Confident42 Ų4227.9 Ų27.916%0.15916%0.16CC..EExtended strand (participates in β ladder)trans-146.5164.7176.571.597.7000112E261 H289 L299E261-W291 HydrophobicContact CB-CB 4.14Å; E261-W291 WeakPolarHBondContact O-CB 2.95Å; H289-W291 HydrophobicContact CB-CE3 4.15Å; H289-W291 HydrophobicContact CB-CZ3 3.98Å; H289-W291 WeakPolarHBondContact O-CZ3 3.23Å; W291-L299 HydrophobicContact CD2-CB 3.96Å; W291-L299 VanDerWaalsContact CE2-CB 3.48Å; W291-L299 HydrophobicContact CE3-CB 4.43Å; W291-L299 HydrophobicContact CG-CB 4.49Å; W291-L299 HydrophobicContact CH2-CB 4.07Å; W291-L299 HydrophobicContact CZ2-CB 3.55Å; W291-L299 HydrophobicContact CZ2-CD2 3.78Å; W291-L299 HydrophobicContact CZ2-CG 4.24Å; W291-L299 HydrophobicContact CZ3-CB 4.48Å; W291-L299 PolarHBondContact N-O 3.34Å; W291-L299 VanDerWaalsContact N-O 3.14Å; W291-L299 PolarHBondContact O-N 3.25Å
292A87.4Confident89.5Confident7 Ų726.9 Ų26.96%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-114.8138.517600000110.6I258 P264I258-A292 HydrophobicContact CG1-CB 4.49Å; P264-A292 HydrophobicContact CB-CB 4.3Å
293L84.4Confident89.6Confident8 Ų828.1 Ų28.14%0.04216%0.156CC..SBendtrans-85.5-37.9165.2-74.4172.7000111F96 R100 Q297 L299F96-L293 HydrophobicContact CB-CD1 3.87Å; F96-L293 HydrophobicContact CB-CD2 4.45Å; F96-L293 HydrophobicContact CD1-CD1 4.31Å; F96-L293 HydrophobicContact CG-CD1 4.25Å; R100-L293 HydrophobicContact CG-CD2 4.05Å; L293-Q297 HydrophobicContact CB-CB 4.23Å; L293-Q297 PolarHBondContact N-O 3.3Å; L293-L299 HydrophobicContact CB-CD1 4.12Å; L293-L299 HydrophobicContact CD1-CD1 3.61Å; L293-L299 HydrophobicContact CD1-CD2 4.15Å; L293-L299 HydrophobicContact CG-CD1 3.44Å; L293-L299 VanDerWaalsContact CG-CD1 3.44Å
294T79.8Confident89.7Confident10 Ų1022.6 Ų22.66%0.06113%0.132CC..SBendtrans-147.5179.3175.766.90000109.1H99 G296 Q297H99-T294 HydrophobicContact CB-CG2 3.79Å; H99-T294 VanDerWaalsContact O-CG2 3.31Å; H99-T294 WeakPolarHBondContact O-CG2 3.34Å; T294-G296 PolarHBondContact O-N 3.25Å; T294-G296 PolarHBondContact OG1-N 2.96Å; T294-Q297 PolarHBondContact O-N 3.21Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.41Å; T294-Q297 PolarHBondContact OG1-N 3.43Å
295L71.7Confident89.8Confident54 Ų5421 Ų2128%0.28312%0.121SC..SBendtrans-60.7-24175.3-70172.2000113.9T197 I258T197-L295 HydrophobicContact CG2-CD1 4.1Å; T197-L295 VanDerWaalsContact OG1-CD1 3.26Å; T197-L295 WeakPolarHBondContact OG1-CD1 3.48Å; T197-L295 WeakPolarHBondContact OG1-CG 3.43Å; I258-L295 HydrophobicContact CD1-CD2 4.25Å
296G70.4Confident89.9Confident43 Ų4321.1 Ų21.144%0.44312%0.121SC..SBendtrans-102.4-14.6-17900000114.5T294 Q330T294-G296 PolarHBondContact O-N 3.25Å; T294-G296 PolarHBondContact OG1-N 2.96Å; G296-Q330 PolarHBondContact O-NE2 2.98Å
297Q79.2Confident89.9Confident11 Ų1124.8 Ų24.85%0.05114%0.138CC..  trans-11897.4-172.3-57.9-169.6-20.400110.8E25 H99 L293 T294 Q330E25-Q297 PolarHBondContact OE2-NE2 3.29Å; H99-Q297 PolarHBondContact CD2-OE1 2.85Å; L293-Q297 HydrophobicContact CB-CB 4.23Å; L293-Q297 PolarHBondContact N-O 3.3Å; T294-Q297 PolarHBondContact O-N 3.21Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.41Å; T294-Q297 PolarHBondContact OG1-N 3.43Å; Q297-Q330 VanDerWaalsContact CG-OE1 3.3Å
298S88.4Confident89.7Confident14 Ų1431.2 Ų31.210%0.09817%0.165CC..EExtended strand (participates in β ladder)trans-98.5147173.557.80000111.4G328 F329 Q330S298-G328 PolarHBondContact OG-O 3.5Å; S298-F329 WeakPolarHBondContact OG-CD1 3.31Å; S298-Q330 PolarHBondContact O-N 3.32Å; S298-Q330 VanDerWaalsContact O-N 3.07Å
299L91.7Very high89.4Confident2 Ų234.7 Ų34.71%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-131.3150.9179.9-62.288.3000109.6F96 W291 L293 N331F96-L299 HydrophobicContact CD1-CD2 3.95Å; F96-L299 HydrophobicContact CE1-CD2 3.62Å; F96-L299 HydrophobicContact CZ-CD2 4.25Å; W291-L299 HydrophobicContact CD2-CB 3.96Å; W291-L299 VanDerWaalsContact CE2-CB 3.48Å; W291-L299 HydrophobicContact CE3-CB 4.43Å; W291-L299 HydrophobicContact CG-CB 4.49Å; W291-L299 HydrophobicContact CH2-CB 4.07Å; W291-L299 HydrophobicContact CZ2-CB 3.55Å; W291-L299 HydrophobicContact CZ2-CD2 3.78Å; W291-L299 HydrophobicContact CZ2-CG 4.24Å; W291-L299 HydrophobicContact CZ3-CB 4.48Å; W291-L299 PolarHBondContact N-O 3.34Å; W291-L299 VanDerWaalsContact N-O 3.14Å; W291-L299 PolarHBondContact O-N 3.25Å; L293-L299 HydrophobicContact CB-CD1 4.12Å; L293-L299 HydrophobicContact CD1-CD1 3.61Å; L293-L299 HydrophobicContact CD1-CD2 4.15Å; L293-L299 HydrophobicContact CG-CD1 3.44Å; L293-L299 VanDerWaalsContact CG-CD1 3.44Å; L299-N331 WeakPolarHBondContact CA-O 3.43Å; L299-N331 HydrophobicContact CD2-CB 3.73Å; L299-N331 HydrophobicContact CG-CB 3.94Å
300V95.1Very high89.2Confident0 Ų030.7 Ų30.70%019%0.189CC..EExtended strand (participates in β ladder)trans-136.7135175.954.50000109.7L288 H289 L290 V302 L323 F329 N331 I332 T333L288-V300 HydrophobicContact CD1-CG2 3.89Å; H289-V300 WeakPolarHBondContact O-CA 3.41Å; L290-V300 HydrophobicContact CD2-CB 3.83Å; L290-V300 HydrophobicContact CD2-CG2 3.51Å; V300-V302 HydrophobicContact CG2-CB 4.43Å; V300-V302 HydrophobicContact CG2-CG1 4.42Å; V300-L323 HydrophobicContact CG1-CD1 4.06Å; V300-F329 HydrophobicContact CB-CD1 3.9Å; V300-F329 HydrophobicContact CB-CD2 4.21Å; V300-F329 HydrophobicContact CB-CE1 3.91Å; V300-F329 HydrophobicContact CB-CE2 4.22Å; V300-F329 HydrophobicContact CB-CG 4.06Å; V300-F329 HydrophobicContact CB-CZ 4.08Å; V300-F329 HydrophobicContact CG1-CB 3.85Å; V300-F329 HydrophobicContact CG1-CD1 3.87Å; V300-F329 HydrophobicContact CG1-CD2 3.72Å; V300-F329 HydrophobicContact CG1-CE1 4.33Å; V300-F329 HydrophobicContact CG1-CE2 4.2Å; V300-F329 HydrophobicContact CG1-CG 3.54Å; V300-F329 HydrophobicContact CG1-CZ 4.48Å; V300-N331 PolarHBondContact N-O 3.47Å; V300-N331 VanDerWaalsContact N-O 3.17Å; V300-I332 HydrophobicContact CG1-CB 4.09Å; V300-I332 HydrophobicContact CG1-CG1 3.7Å; V300-I332 HydrophobicContact CG1-CG2 4.04Å; V300-T333 PolarHBondContact O-N 2.74Å; V300-T333 PolarHBondContact O-OG1 2.91Å
301S95.9Very high89.2Confident32 Ų3234.3 Ų34.322%0.22421%0.209CC..EExtended strand (participates in β ladder)trans-122.4131.2164.5-167.30000108.8H289 T333H289-S301 PolarHBondContact N-O 3Å; H289-S301 PolarHBondContact O-N 2.92Å; S301-T333 CarbonylContact C-O 3.54Å; S301-T333 VanDerWaalsContact CA-O 3.26Å; S301-T333 WeakPolarHBondContact CA-O 3.38Å; S301-T333 WeakPolarHBondContact CB-OG1 3.35Å; S301-T333 PolarHBondContact OG-OG1 2.84Å
302V96.6Very high89.2Confident0 Ų034.3 Ų34.30%022%0.218CC..EExtended strand (participates in β ladder)trans-150.2148.1-176.3630000111.6L276 V285 L288 V300 L304 L323 T333 V334 Q335L276-V302 HydrophobicContact CD1-CB 4.49Å; L276-V302 HydrophobicContact CD1-CG1 4.2Å; L276-V302 HydrophobicContact CD1-CG2 3.95Å; V285-V302 HydrophobicContact CG1-CG2 3.5Å; L288-V302 HydrophobicContact CB-CG2 4.19Å; L288-V302 HydrophobicContact CD1-CB 3.78Å; L288-V302 HydrophobicContact CD1-CG2 3.78Å; V300-V302 HydrophobicContact CG2-CB 4.43Å; V300-V302 HydrophobicContact CG2-CG1 4.42Å; V302-L304 HydrophobicContact CG2-CD2 4.12Å; V302-L323 HydrophobicContact CG1-CD1 4.49Å; V302-T333 PolarHBondContact N-O 3.34Å; V302-V334 HydrophobicContact CG1-CB 4.32Å; V302-V334 HydrophobicContact CG1-CG1 4.27Å; V302-V334 HydrophobicContact CG1-CG2 3.81Å; V302-V334 WeakPolarHBondContact O-CA 3.27Å; V302-Q335 PolarHBondContact O-N 3.46Å
303H95.8Very high89.4Confident42 Ų4238.6 Ų38.619%0.19424%0.237CC..EExtended strand (participates in β ladder)trans-107129171.6-65.9-146.7000109.2H286 Q335 E337H286-H303 WeakPolarHBondContact CE1-CB 3.45Å; H286-H303 AromaticContact CE1-CG 3.9Å; H286-H303 AromaticContact CE1-ND1 3.85Å; H286-H303 PolarHBondContact N-O 3.24Å; H286-H303 VanDerWaalsContact N-O 3.12Å; H286-H303 WeakPolarHBondContact O-CB 3.3Å; H286-H303 PolarHBondContact O-N 3.5Å; H303-Q335 CarbonylContact C-O 3.52Å; H303-Q335 WeakPolarHBondContact CA-O 3.21Å; H303-Q335 VanDerWaalsContact CE1-CD 3.44Å; H303-Q335 PolarHBondContact CE1-NE2 3.48Å; H303-Q335 PolarHBondContact CE1-OE1 2.96Å; H303-Q335 PolarHBondContact ND1-NE2 2.97Å; H303-E337 IonicContact ND1-OE2 2.61Å
304L96.3Very high89.7Confident0 Ų041.1 Ų41.10%026%0.255CS..EExtended strand (participates in β ladder)trans-112.3118.2177.1-58.3-177.7000108.9L276 V282 V285 V302 V315 A319 V334 Q335 V336 E337L276-L304 HydrophobicContact CB-CD2 4.28Å; L276-L304 HydrophobicContact CD1-CD2 4.33Å; V282-L304 HydrophobicContact CG1-CD2 4.35Å; V282-L304 HydrophobicContact CG2-CD1 4.4Å; V285-L304 HydrophobicContact CB-CD2 4.41Å; V285-L304 HydrophobicContact CG1-CD2 4.18Å; V285-L304 HydrophobicContact CG2-CD2 3.74Å; V302-L304 HydrophobicContact CG2-CD2 4.12Å; L304-V315 HydrophobicContact CD1-CG1 4.19Å; L304-A319 HydrophobicContact CD1-CB 3.69Å; L304-V334 HydrophobicContact CD1-CG1 3.46Å; L304-V334 VanDerWaalsContact CD1-CG1 3.46Å; L304-V334 HydrophobicContact CG-CG1 3.73Å; L304-Q335 PolarHBondContact N-O 3.48Å; L304-V336 WeakPolarHBondContact O-CA 3.25Å; L304-E337 PolarHBondContact O-N 3.49Å
305A95Very high90.4Very high0 Ų041 Ų410%025%0.254CS..EExtended strand (participates in β ladder)trans-91.1115.517400000109.4K283 S284 E337 Y339 M343K283-A305 PolarHBondContact N-O 3.34Å; S284-A305 PolarHBondContact N-O 2.75Å; S284-A305 PolarHBondContact O-N 3.25Å; A305-E337 CarbonylContact C-O 3.06Å; A305-E337 VanDerWaalsContact CA-O 3.3Å; A305-E337 WeakPolarHBondContact CA-O 3.34Å; A305-Y339 HydrophobicContact CB-CD2 4Å; A305-M343 HydrophobicContact CB-CE 4.11Å; A305-M343 HydrophobicContact CB-SD 3.93Å
306I96.1Very high91.4Very high5 Ų540.5 Ų40.53%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-103.6159.4-176.860.3164.2000112.3A281 V282 A310 A312 V315 V336 E337 L338 Y339A281-I306 VanDerWaalsContact O-CA 3.25Å; A281-I306 WeakPolarHBondContact O-CA 3.3Å; V282-I306 HydrophobicContact CG2-CG2 4.38Å; I306-A310 HydrophobicContact CD1-CB 4.2Å; I306-A312 HydrophobicContact CD1-CB 3.94Å; I306-V315 HydrophobicContact CG2-CB 4.35Å; I306-V315 HydrophobicContact CG2-CG1 3.87Å; I306-V315 HydrophobicContact CG2-CG2 4.15Å; I306-V336 HydrophobicContact CB-CG1 4.46Å; I306-V336 HydrophobicContact CD1-CG1 3.62Å; I306-V336 HydrophobicContact CG1-CG1 3.82Å; I306-V336 HydrophobicContact CG2-CG1 3.79Å; I306-E337 WeakPolarHBondContact CG1-O 3.4Å; I306-E337 PolarHBondContact N-O 3.09Å; I306-L338 HydrophobicContact CG1-CD2 4.46Å; I306-Y339 WeakPolarHBondContact O-CB 3.46Å; I306-Y339 PolarHBondContact O-N 3.34Å
307E94.1Very high92.4Very high82 Ų8243.3 Ų43.338%0.38325%0.254SS..PPolyproline II helixtrans-68.7153.7173.669.1-171.2172.800113.5A281 K283 G309 A310A281-E307 HydrophobicContact CB-CG 3.93Å; A281-E307 WeakPolarHBondContact CB-OE1 3.29Å; A281-E307 PolarHBondContact O-N 3.3Å; K283-E307 HydrophobicContact CD-CB 4.25Å; K283-E307 HydrophobicContact CG-CB 4.44Å; E307-G309 PolarHBondContact O-N 3.45Å; E307-A310 HydrophobicContact CG-CB 3.84Å; E307-A310 PolarHBondContact O-N 3.5Å
308E89.5Confident93.1Very high166 Ų16647.3 Ų47.378%0.77627%0.272SS*.THydrogen-bonded Turntrans-62.6128.1174.9-70.9-174.2168.900110.9
309G87.8Confident93.3Very high85 Ų8546.6 Ų46.688%0.87627%0.267SS*.THydrogen-bonded Turntrans92.1-3.1179.200000115.3E307E307-G309 PolarHBondContact O-N 3.45Å
310A91.4Very high93.3Very high26 Ų2648.2 Ų48.222%0.21528%0.277CS..  trans-74.1149.5171.500000112.4A281 I306 E307 A312A281-A310 HydrophobicContact CB-CB 3.5Å; A281-A310 VanDerWaalsContact CB-CB 3.5Å; I306-A310 HydrophobicContact CD1-CB 4.2Å; E307-A310 HydrophobicContact CG-CB 3.84Å; E307-A310 PolarHBondContact O-N 3.5Å; A310-A312 PolarHBondContact O-N 2.96Å
311D93.4Very high93Very high91 Ų9154 Ų5449%0.48730%0.304SS..  trans-79.8104174.4176.722.5000110.7Q313 S314 V315D311-Q313 PolarHBondContact O-N 3.04Å; D311-Q313 PolarHBondContact OD1-N 3.3Å; D311-Q313 VanDerWaalsContact OD1-N 3.1Å; D311-S314 PolarHBondContact O-N 3.5Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-N 3.12Å; D311-S314 PolarHBondContact OD2-OG 3.41Å; D311-V315 PolarHBondContact O-N 3.38Å
312A93.1Very high92.8Very high43 Ų4354.6 Ų54.636%0.35531%0.305SS..Hα-helixtrans-57.2-33179.400000113.1I306 A310 L316 V336I306-A312 HydrophobicContact CD1-CB 3.94Å; A310-A312 PolarHBondContact O-N 2.96Å; A312-L316 VanDerWaalsContact O-CB 3.31Å; A312-L316 WeakPolarHBondContact O-CB 3.33Å; A312-L316 PolarHBondContact O-N 2.89Å; A312-V336 HydrophobicContact CB-CB 4.39Å; A312-V336 HydrophobicContact CB-CG1 3.83Å
313Q91.4Very high92.5Very high97 Ų9754.6 Ų54.645%0.45331%0.305SS..Hα-helixtrans-70.9-40.4-179-176.363.220.800111.5D311 L316 Q317D311-Q313 PolarHBondContact O-N 3.04Å; D311-Q313 PolarHBondContact OD1-N 3.3Å; D311-Q313 VanDerWaalsContact OD1-N 3.1Å; Q313-L316 PolarHBondContact O-N 3.31Å; Q313-Q317 WeakPolarHBondContact O-CG 3.29Å; Q313-Q317 PolarHBondContact O-N 2.97Å
314S91.9Very high92.1Very high61 Ų6153.8 Ų53.843%0.42730%0.303SS..Hα-helixtrans-63.7-45175.3-69.20000111.6D311 L316 Q317 E318D311-S314 PolarHBondContact O-N 3.5Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-N 3.12Å; D311-S314 PolarHBondContact OD2-OG 3.41Å; S314-L316 PolarHBondContact O-N 2.86Å; S314-Q317 PolarHBondContact O-N 3.03Å; S314-E318 PolarHBondContact O-N 3.41Å
315V93.9Very high91.5Very high7 Ų759.6 Ų59.64%0.04233%0.334CS..Hα-helixtrans-61.6-43.8177175.60000111.2V279 A281 V282 L304 I306 D311 Q317 E318 A319V279-V315 HydrophobicContact CG1-CG1 4.05Å; A281-V315 HydrophobicContact CB-CG2 4.3Å; V282-V315 HydrophobicContact CG2-CG1 3.72Å; L304-V315 HydrophobicContact CD1-CG1 4.19Å; I306-V315 HydrophobicContact CG2-CB 4.35Å; I306-V315 HydrophobicContact CG2-CG1 3.87Å; I306-V315 HydrophobicContact CG2-CG2 4.15Å; D311-V315 PolarHBondContact O-N 3.38Å; V315-Q317 PolarHBondContact O-N 3.01Å; V315-E318 PolarHBondContact O-N 3.15Å; V315-A319 VanDerWaalsContact O-CB 3.27Å; V315-A319 WeakPolarHBondContact O-CB 3.27Å; V315-A319 PolarHBondContact O-N 2.96Å
316L93.4Very high91.1Very high43 Ų4364.6 Ų64.623%0.22536%0.356CS..Hα-helixtrans-58.8-45.5177174.861.5000111.9A312 Q313 S314 T320 V334 V336A312-L316 VanDerWaalsContact O-CB 3.31Å; A312-L316 WeakPolarHBondContact O-CB 3.33Å; A312-L316 PolarHBondContact O-N 2.89Å; Q313-L316 PolarHBondContact O-N 3.31Å; S314-L316 PolarHBondContact O-N 2.86Å; L316-T320 VanDerWaalsContact O-CB 3.26Å; L316-T320 WeakPolarHBondContact O-CB 3.41Å; L316-T320 PolarHBondContact O-N 3.22Å; L316-T320 PolarHBondContact O-OG1 3.12Å; L316-V334 HydrophobicContact CD1-CB 3.55Å; L316-V334 HydrophobicContact CD1-CG1 3.98Å; L316-V334 HydrophobicContact CD1-CG2 4.36Å; L316-V336 HydrophobicContact CB-CG2 4.14Å
317Q91.3Very high90.7Very high103 Ų10366.1 Ų66.148%0.48136%0.363SS..Hα-helixtrans-64.5-49179.2-75.4177-1300111.6Q313 S314 V315 T320 E321Q313-Q317 WeakPolarHBondContact O-CG 3.29Å; Q313-Q317 PolarHBondContact O-N 2.97Å; S314-Q317 PolarHBondContact O-N 3.03Å; V315-Q317 PolarHBondContact O-N 3.01Å; Q317-T320 PolarHBondContact O-N 2.99Å; Q317-E321 WeakPolarHBondContact O-CG 3.34Å; Q317-E321 PolarHBondContact O-N 3.12Å
318E92.1Very high90.2Very high94 Ų9464.2 Ų64.244%0.43937%0.366SS..Hα-helixtrans-61.1-47.4179.7-171.7178164.600111.7V279 S314 V315 T320 E321 L322V279-E318 HydrophobicContact CG1-CB 4.2Å; V279-E318 HydrophobicContact CG1-CG 4.09Å; V279-E318 HydrophobicContact CG2-CG 4.49Å; S314-E318 PolarHBondContact O-N 3.41Å; V315-E318 PolarHBondContact O-N 3.15Å; E318-T320 PolarHBondContact O-N 2.99Å; E318-E321 PolarHBondContact O-N 3.42Å; E318-L322 VanDerWaalsContact O-CB 3.28Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 2.74Å
319A93.9Very high90Very high0 Ų056.5 Ų56.50%033%0.329CS..Hα-helixtrans-63-40.4177.400000112.3L276 V279 L304 V315 L322 L323L276-A319 HydrophobicContact CD2-CB 4Å; V279-A319 HydrophobicContact CG2-CB 4.46Å; L304-A319 HydrophobicContact CD1-CB 3.69Å; V315-A319 VanDerWaalsContact O-CB 3.27Å; V315-A319 WeakPolarHBondContact O-CB 3.27Å; V315-A319 PolarHBondContact O-N 2.96Å; A319-L322 PolarHBondContact O-N 3.38Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 VanDerWaalsContact O-CG 3.25Å; A319-L323 WeakPolarHBondContact O-CG 3.44Å; A319-L323 PolarHBondContact O-N 3.27Å
320T91.8Very high89.7Confident36 Ų3656.8 Ų56.822%0.22131%0.308CS..Hα-helixtrans-66.1-44.5178.9-58.90000111.4L316 Q317 E318 L322 L323 C324 I332L316-T320 VanDerWaalsContact O-CB 3.26Å; L316-T320 WeakPolarHBondContact O-CB 3.41Å; L316-T320 PolarHBondContact O-N 3.22Å; L316-T320 PolarHBondContact O-OG1 3.12Å; Q317-T320 PolarHBondContact O-N 2.99Å; E318-T320 PolarHBondContact O-N 2.99Å; T320-L322 VanDerWaalsContact C-N 3.32Å; T320-L322 PolarHBondContact O-N 3.37Å; T320-L323 PolarHBondContact O-N 3.05Å; T320-C324 VanDerWaalsContact O-CB 3.32Å; T320-C324 WeakPolarHBondContact O-CB 3.32Å; T320-C324 PolarHBondContact O-N 3.27Å; T320-I332 HydrophobicContact CG2-CB 4.45Å; T320-I332 HydrophobicContact CG2-CD1 4.05Å; T320-I332 HydrophobicContact CG2-CG2 4.26Å
321E89.4Confident89.5Confident120 Ų12059.3 Ų59.356%0.56132%0.318SS*.Hα-helixtrans-62.5-40.9175.8-75.4-176-176.800111.6Q317 E318 C324 N325Q317-E321 WeakPolarHBondContact O-CG 3.34Å; Q317-E321 PolarHBondContact O-N 3.12Å; E318-E321 PolarHBondContact O-N 3.42Å; E321-C324 PolarHBondContact O-N 2.9Å; E321-N325 WeakPolarHBondContact O-CB 3.5Å; E321-N325 VanDerWaalsContact O-CG 3.22Å; E321-N325 PolarHBondContact O-N 3.17Å; E321-N325 PolarHBondContact O-ND2 2.93Å; E321-N325 VanDerWaalsContact O-ND2 3.15Å
322L90.7Very high89.5Confident46 Ų4656.9 Ų56.924%0.24130%0.304CS..Hα-helixtrans-64.9-46178.7-16964.9000111.9V275 V279 E318 A319 T320 C324 K326V275-L322 HydrophobicContact CG1-CD1 3.95Å; V275-L322 HydrophobicContact CG1-CD2 3.28Å; V275-L322 HydrophobicContact CG1-CG 3.45Å; V275-L322 VanDerWaalsContact CG1-CG 3.45Å; V275-L322 WeakPolarHBondContact O-CD2 3.05Å; V279-L322 HydrophobicContact CG2-CD2 3.74Å; E318-L322 VanDerWaalsContact O-CB 3.28Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 2.74Å; A319-L322 PolarHBondContact O-N 3.38Å; T320-L322 VanDerWaalsContact C-N 3.32Å; T320-L322 PolarHBondContact O-N 3.37Å; L322-C324 VanDerWaalsContact C-N 3.35Å; L322-C324 PolarHBondContact O-N 3.43Å; L322-K326 WeakPolarHBondContact O-CB 3.44Å; L322-K326 PolarHBondContact O-N 3.43Å
323L90.7Very high89.5Confident0 Ų058.7 Ų58.70%031%0.311CS..Hα-helixtrans-62.8-40.9176.4-74.4170.7000111.9V272 L276 V300 V302 A319 T320 F327 G328 F329 I332 V334V272-L323 HydrophobicContact CG1-CD2 3.77Å; L276-L323 HydrophobicContact CD1-CD2 4.29Å; L276-L323 HydrophobicContact CD2-CD1 4.04Å; L276-L323 HydrophobicContact CD2-CD2 4.12Å; L276-L323 HydrophobicContact CD2-CG 3.95Å; L276-L323 HydrophobicContact CG-CD2 4.32Å; V300-L323 HydrophobicContact CG1-CD1 4.06Å; V302-L323 HydrophobicContact CG1-CD1 4.49Å; A319-L323 WeakPolarHBondContact O-CB 3.3Å; A319-L323 VanDerWaalsContact O-CG 3.25Å; A319-L323 WeakPolarHBondContact O-CG 3.44Å; A319-L323 PolarHBondContact O-N 3.27Å; T320-L323 PolarHBondContact O-N 3.05Å; L323-F327 HydrophobicContact CD2-CD2 4.2Å; L323-F327 PolarHBondContact O-N 3.34Å; L323-G328 PolarHBondContact O-N 3.45Å; L323-F329 HydrophobicContact CB-CD2 4.05Å; L323-F329 HydrophobicContact CD2-CD2 3.94Å; L323-F329 HydrophobicContact CD2-CE2 3.86Å; L323-F329 WeakPolarHBondContact O-CD2 3.2Å; L323-I332 HydrophobicContact CB-CD1 3.8Å; L323-I332 HydrophobicContact CB-CG1 4.32Å; L323-I332 HydrophobicContact CD1-CG2 3.75Å; L323-V334 HydrophobicContact CD1-CG2 4.06Å
324C86.3Confident89.7Confident24 Ų2455.1 Ų55.116%0.16230%0.296CS..Hα-helixtrans-70.1-52.2178.4-166.10000111.7T320 E321 L322 G328 I332T320-C324 VanDerWaalsContact O-CB 3.32Å; T320-C324 WeakPolarHBondContact O-CB 3.32Å; T320-C324 PolarHBondContact O-N 3.27Å; E321-C324 PolarHBondContact O-N 2.9Å; L322-C324 VanDerWaalsContact C-N 3.35Å; L322-C324 PolarHBondContact O-N 3.43Å; C324-G328 WeakPolarHBondContact O-CA 3.02Å; C324-G328 PolarHBondContact O-N 3.17Å; C324-I332 HydrophobicContact CB-CD1 3.92Å
325N85.4Confident89.9Confident122 Ų12256.9 Ų56.965%0.65230%0.297SS*.Hα-helixtrans-73.5-36.6-172.5-68.8-31.9000113.2E321E321-N325 WeakPolarHBondContact O-CB 3.5Å; E321-N325 VanDerWaalsContact O-CG 3.22Å; E321-N325 PolarHBondContact O-N 3.17Å; E321-N325 PolarHBondContact O-ND2 2.93Å; E321-N325 VanDerWaalsContact O-ND2 3.15Å
326K86.6Confident90Very high106 Ų10658.4 Ų58.446%0.46131%0.306SS..Hα-helixtrans-88-38.9-175.3-165175-175.7174.60112.9V275 L322V275-K326 HydrophobicContact CG1-CD 3.95Å; V275-K326 HydrophobicContact CG2-CD 3.96Å; L322-K326 WeakPolarHBondContact O-CB 3.44Å; L322-K326 PolarHBondContact O-N 3.43Å
327F86.2Confident90Very high36 Ų3658.9 Ų58.916%0.15831%0.307CS..Hα-helixtrans-114-11-172.8-59.5-74.8000114.1I267 V272 V275 L323 F329I267-F327 HydrophobicContact CD1-CB 4.4Å; I267-F327 HydrophobicContact CG2-CD1 4.3Å; V272-F327 HydrophobicContact CB-CE2 4.38Å; V272-F327 HydrophobicContact CB-CZ 4.25Å; V272-F327 HydrophobicContact CG1-CE2 4.44Å; V272-F327 HydrophobicContact CG2-CD1 3.98Å; V272-F327 HydrophobicContact CG2-CD2 4.26Å; V272-F327 HydrophobicContact CG2-CE1 3.76Å; V272-F327 HydrophobicContact CG2-CE2 4.04Å; V272-F327 HydrophobicContact CG2-CG 4.23Å; V272-F327 HydrophobicContact CG2-CZ 3.78Å; V275-F327 HydrophobicContact CB-CE2 4.03Å; V275-F327 HydrophobicContact CB-CZ 4.1Å; V275-F327 HydrophobicContact CG1-CE2 3.87Å; V275-F327 HydrophobicContact CG1-CZ 4.36Å; V275-F327 HydrophobicContact CG2-CE2 4.28Å; V275-F327 HydrophobicContact CG2-CZ 3.93Å; L323-F327 HydrophobicContact CD2-CD2 4.2Å; L323-F327 PolarHBondContact O-N 3.34Å; F327-F329 HydrophobicContact CB-CD2 3.62Å; F327-F329 HydrophobicContact CB-CE2 3.41Å; F327-F329 VanDerWaalsContact CB-CE2 3.41Å; F327-F329 HydrophobicContact CB-CZ 4.25Å; F327-F329 HydrophobicContact CD2-CE2 4.19Å; F327-F329 HydrophobicContact CG-CD2 4.48Å; F327-F329 AromaticContact CG-CE2 3.95Å; F327-F329 HydrophobicContact CG-CE2 3.95Å
328G83.5Confident90.1Very high43 Ų4359.1 Ų59.144%0.44331%0.312SS..  trans73.923.5176.300000114.6S298 L323 C324 Q330S298-G328 PolarHBondContact OG-O 3.5Å; L323-G328 PolarHBondContact O-N 3.45Å; C324-G328 WeakPolarHBondContact O-CA 3.02Å; C324-G328 PolarHBondContact O-N 3.17Å; G328-Q330 PolarHBondContact O-N 2.95Å
329F86.7Confident90Very high3 Ų358.4 Ų58.41%0.01331%0.306CS..  trans-63.5131.1176-68.7-69.4000111.2I267 V272 L290 S298 V300 L323 F327 I332I267-F329 HydrophobicContact CD1-CE1 4.08Å; I267-F329 HydrophobicContact CD1-CZ 3.99Å; I267-F329 HydrophobicContact CG2-CZ 4.05Å; V272-F329 HydrophobicContact CG2-CE2 4.37Å; V272-F329 HydrophobicContact CG2-CZ 4.4Å; L290-F329 HydrophobicContact CD2-CE1 4.11Å; L290-F329 HydrophobicContact CD2-CZ 3.68Å; S298-F329 WeakPolarHBondContact OG-CD1 3.31Å; V300-F329 HydrophobicContact CB-CD1 3.9Å; V300-F329 HydrophobicContact CB-CD2 4.21Å; V300-F329 HydrophobicContact CB-CE1 3.91Å; V300-F329 HydrophobicContact CB-CE2 4.22Å; V300-F329 HydrophobicContact CB-CG 4.06Å; V300-F329 HydrophobicContact CB-CZ 4.08Å; V300-F329 HydrophobicContact CG1-CB 3.85Å; V300-F329 HydrophobicContact CG1-CD1 3.87Å; V300-F329 HydrophobicContact CG1-CD2 3.72Å; V300-F329 HydrophobicContact CG1-CE1 4.33Å; V300-F329 HydrophobicContact CG1-CE2 4.2Å; V300-F329 HydrophobicContact CG1-CG 3.54Å; V300-F329 HydrophobicContact CG1-CZ 4.48Å; L323-F329 HydrophobicContact CB-CD2 4.05Å; L323-F329 HydrophobicContact CD2-CD2 3.94Å; L323-F329 HydrophobicContact CD2-CE2 3.86Å; L323-F329 WeakPolarHBondContact O-CD2 3.2Å; F327-F329 HydrophobicContact CB-CD2 3.62Å; F327-F329 HydrophobicContact CB-CE2 3.41Å; F327-F329 VanDerWaalsContact CB-CE2 3.41Å; F327-F329 HydrophobicContact CB-CZ 4.25Å; F327-F329 HydrophobicContact CD2-CE2 4.19Å; F327-F329 HydrophobicContact CG-CD2 4.48Å; F327-F329 AromaticContact CG-CE2 3.95Å; F327-F329 HydrophobicContact CG-CE2 3.95Å; F329-I332 HydrophobicContact CB-CD1 4.01Å; F329-I332 HydrophobicContact CB-CG1 3.63Å
330Q80.9Confident89.8Confident92 Ų9260.8 Ų60.843%0.4332%0.322SS..SBendtrans-87.6-40-178.3-66.1-169.81.500112.6E25 G296 Q297 S298 G328E25-Q330 PolarHBondContact OE1-NE2 3.46Å; G296-Q330 PolarHBondContact O-NE2 2.98Å; Q297-Q330 VanDerWaalsContact CG-OE1 3.3Å; S298-Q330 PolarHBondContact O-N 3.32Å; S298-Q330 VanDerWaalsContact O-N 3.07Å; G328-Q330 PolarHBondContact O-N 2.95Å
331N87.1Confident89.4Confident79 Ų7966.4 Ų66.442%0.42235%0.346SS..EExtended strand (participates in β ladder)trans-120.5121.6174.8-63.1-69.8000108.8L299 V300L299-N331 WeakPolarHBondContact CA-O 3.43Å; L299-N331 HydrophobicContact CD2-CB 3.73Å; L299-N331 HydrophobicContact CG-CB 3.94Å; V300-N331 PolarHBondContact N-O 3.47Å; V300-N331 VanDerWaalsContact N-O 3.17Å
332I92.5Very high89.1Confident39 Ų3968.2 Ų68.220%0.235%0.354CS..EExtended strand (participates in β ladder)trans-123.7122.5-173.8-63.5163.3000107.3V300 T320 L323 C324 F329 V334V300-I332 HydrophobicContact CG1-CB 4.09Å; V300-I332 HydrophobicContact CG1-CG1 3.7Å; V300-I332 HydrophobicContact CG1-CG2 4.04Å; T320-I332 HydrophobicContact CG2-CB 4.45Å; T320-I332 HydrophobicContact CG2-CD1 4.05Å; T320-I332 HydrophobicContact CG2-CG2 4.26Å; L323-I332 HydrophobicContact CB-CD1 3.8Å; L323-I332 HydrophobicContact CB-CG1 4.32Å; L323-I332 HydrophobicContact CD1-CG2 3.75Å; C324-I332 HydrophobicContact CB-CD1 3.92Å; F329-I332 HydrophobicContact CB-CD1 4.01Å; F329-I332 HydrophobicContact CB-CG1 3.63Å; I332-V334 HydrophobicContact CG2-CG2 3.68Å
333T94.4Very high88.7Confident82 Ų8267.2 Ų67.250%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-117.4111.5168.838.40000109.2V300 S301 V302V300-T333 PolarHBondContact O-N 2.74Å; V300-T333 PolarHBondContact O-OG1 2.91Å; S301-T333 CarbonylContact C-O 3.54Å; S301-T333 VanDerWaalsContact CA-O 3.26Å; S301-T333 WeakPolarHBondContact CA-O 3.38Å; S301-T333 WeakPolarHBondContact CB-OG1 3.35Å; S301-T333 PolarHBondContact OG-OG1 2.84Å; V302-T333 PolarHBondContact N-O 3.34Å
334V95.5Very high88Confident22 Ų2270.3 Ų70.313%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-112.5119.9175.9179.40000107.8V302 L304 L316 L323 I332 V336V302-V334 HydrophobicContact CG1-CB 4.32Å; V302-V334 HydrophobicContact CG1-CG1 4.27Å; V302-V334 HydrophobicContact CG1-CG2 3.81Å; V302-V334 WeakPolarHBondContact O-CA 3.27Å; L304-V334 HydrophobicContact CD1-CG1 3.46Å; L304-V334 VanDerWaalsContact CD1-CG1 3.46Å; L304-V334 HydrophobicContact CG-CG1 3.73Å; L316-V334 HydrophobicContact CD1-CB 3.55Å; L316-V334 HydrophobicContact CD1-CG1 3.98Å; L316-V334 HydrophobicContact CD1-CG2 4.36Å; L323-V334 HydrophobicContact CD1-CG2 4.06Å; I332-V334 HydrophobicContact CG2-CG2 3.68Å; V334-V336 HydrophobicContact CG1-CG2 4.06Å
335Q95.9Very high87.7Confident98 Ų9877 Ų7746%0.45840%0.399SS..EExtended strand (participates in β ladder)trans-92.7125.2168.3177.9166.6-4300108.2V302 H303 L304 E337V302-Q335 PolarHBondContact O-N 3.46Å; H303-Q335 CarbonylContact C-O 3.52Å; H303-Q335 WeakPolarHBondContact CA-O 3.21Å; H303-Q335 VanDerWaalsContact CE1-CD 3.44Å; H303-Q335 PolarHBondContact CE1-NE2 3.48Å; H303-Q335 PolarHBondContact CE1-OE1 2.96Å; H303-Q335 PolarHBondContact ND1-NE2 2.97Å; L304-Q335 PolarHBondContact N-O 3.48Å; Q335-E337 PolarHBondContact NE2-OE2 2.93Å
336V95.1Very high87.6Confident38 Ų3873.2 Ų73.223%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-106.7127.2176.7-175.60000108.5L304 I306 A312 L316 V334L304-V336 WeakPolarHBondContact O-CA 3.25Å; I306-V336 HydrophobicContact CB-CG1 4.46Å; I306-V336 HydrophobicContact CD1-CG1 3.62Å; I306-V336 HydrophobicContact CG1-CG1 3.82Å; I306-V336 HydrophobicContact CG2-CG1 3.79Å; A312-V336 HydrophobicContact CB-CB 4.39Å; A312-V336 HydrophobicContact CB-CG1 3.83Å; L316-V336 HydrophobicContact CB-CG2 4.14Å; V334-V336 HydrophobicContact CG1-CG2 4.06Å
337E94Very high87.3Confident53 Ų5372.2 Ų72.225%0.24839%0.388CS..EExtended strand (participates in β ladder)trans-139.3162.2-178.858.7-167.1-141.600111.7H286 H303 L304 A305 I306 Q335 M343H286-E337 IonicContact CE1-OE1 2.98Å; H286-E337 PolarHBondContact CE1-OE1 3.02Å; H286-E337 IonicContact NE2-OE1 3.19Å; H286-E337 PolarHBondContact NE2-OE1 3.44Å; H303-E337 IonicContact ND1-OE2 2.61Å; L304-E337 PolarHBondContact O-N 3.49Å; A305-E337 CarbonylContact C-O 3.06Å; A305-E337 VanDerWaalsContact CA-O 3.3Å; A305-E337 WeakPolarHBondContact CA-O 3.34Å; I306-E337 WeakPolarHBondContact CG1-O 3.4Å; I306-E337 PolarHBondContact N-O 3.09Å; Q335-E337 PolarHBondContact NE2-OE2 2.93Å; E337-M343 HydrophobicContact CG-CE 4.02Å; E337-M343 WeakPolarHBondContact OE1-CE 3.49Å
338L93Very high87Confident109 Ų10978 Ų7857%0.57142%0.415SS*.EExtended strand (participates in β ladder)trans-76.2139.2177.7-68171.9000110.1I306 S340I306-L338 HydrophobicContact CG1-CD2 4.46Å; L338-S340 PolarHBondContact O-N 3.31Å
339Y90.8Very high86.8Confident79 Ų7977.3 Ų77.331%0.3140%0.403SS..  trans-64.5128175.4-179.3-96.2000111.8K283 A305 I306 E341 M343K283-Y339 HydrophobicContact CB-CD2 3.8Å; K283-Y339 HydrophobicContact CB-CE2 4.36Å; K283-Y339 HydrophobicContact CB-CG 4.04Å; K283-Y339 HydrophobicContact CD-CD1 3.88Å; K283-Y339 HydrophobicContact CD-CD2 4.34Å; K283-Y339 HydrophobicContact CD-CG 3.78Å; A305-Y339 HydrophobicContact CB-CD2 4Å; I306-Y339 WeakPolarHBondContact O-CB 3.46Å; I306-Y339 PolarHBondContact O-N 3.34Å; Y339-E341 HydrophobicContact CE1-CG 4.37Å; Y339-M343 HydrophobicContact CD2-SD 4.36Å
340S88.4Confident86.6Confident49 Ų4981.7 Ų81.734%0.34342%0.424SS..  trans-120.6139.3170.11740000110L338 E342 M343L338-S340 PolarHBondContact O-N 3.31Å; S340-E342 PolarHBondContact O-N 3.29Å; S340-E342 PolarHBondContact OG-N 2.87Å; S340-M343 PolarHBondContact N-SD 3.31Å; S340-M343 VanDerWaalsContact N-SD 3.43Å; S340-M343 VanDerWaalsContact O-CB 3.28Å; S340-M343 WeakPolarHBondContact O-CB 3.5Å; S340-M343 WeakPolarHBondContact O-CG 3.18Å; S340-M343 PolarHBondContact O-N 3.27Å; S340-M343 VanDerWaalsContact O-N 3.11Å
341E83.7Confident86.9Confident155 Ų15580.5 Ų80.572%0.72442%0.42SS*.G310 helixtrans-60.8-28.1178.4-69-171.9167.200112.5Y339 M343 S344Y339-E341 HydrophobicContact CE1-CG 4.37Å; E341-M343 PolarHBondContact O-N 3.44Å; E341-M343 VanDerWaalsContact O-N 3.16Å; E341-S344 WeakPolarHBondContact O-CB 3.38Å; E341-S344 PolarHBondContact O-N 3.28Å; E341-S344 VanDerWaalsContact O-N 3.16Å; E341-S344 PolarHBondContact O-OG 2.89Å
342E83.1Confident86.8Confident157 Ų15780.5 Ų80.573%0.73443%0.425SS*.G310 helixtrans-60.7-24.9177.7-62.6-178.7176.700112.9S340 S344 H345 C346S340-E342 PolarHBondContact O-N 3.29Å; S340-E342 PolarHBondContact OG-N 2.87Å; E342-S344 PolarHBondContact O-N 2.69Å; E342-H345 PolarHBondContact O-N 3Å; E342-H345 VanDerWaalsContact O-N 3.12Å; E342-C346 PolarHBondContact O-N 3.31Å
343M83.4Confident86.2Confident26 Ų2689.1 Ų89.113%0.12846%0.455CS..G310 helixtrans-62.7-30.2179-59.6173.4118.900112.3H286 A305 E337 Y339 S340 E341 H345 C346H286-M343 WeakPolarHBondContact NE2-CE 3.29Å; A305-M343 HydrophobicContact CB-CE 4.11Å; A305-M343 HydrophobicContact CB-SD 3.93Å; E337-M343 HydrophobicContact CG-CE 4.02Å; E337-M343 WeakPolarHBondContact OE1-CE 3.49Å; Y339-M343 HydrophobicContact CD2-SD 4.36Å; S340-M343 PolarHBondContact N-SD 3.31Å; S340-M343 VanDerWaalsContact N-SD 3.43Å; S340-M343 VanDerWaalsContact O-CB 3.28Å; S340-M343 WeakPolarHBondContact O-CB 3.5Å; S340-M343 WeakPolarHBondContact O-CG 3.18Å; S340-M343 PolarHBondContact O-N 3.27Å; S340-M343 VanDerWaalsContact O-N 3.11Å; E341-M343 PolarHBondContact O-N 3.44Å; E341-M343 VanDerWaalsContact O-N 3.16Å; M343-H345 PolarHBondContact O-N 3.1Å; M343-C346 PolarHBondContact O-N 2.72Å
344S76.4Confident84.7Confident65 Ų6595.3 Ų95.346%0.45549%0.485SS..G310 helixtrans-65.5-24.217867.70000113.1E341 E342E341-S344 WeakPolarHBondContact O-CB 3.38Å; E341-S344 PolarHBondContact O-N 3.28Å; E341-S344 VanDerWaalsContact O-N 3.16Å; E341-S344 PolarHBondContact O-OG 2.89Å; E342-S344 PolarHBondContact O-N 2.69Å
345H79.6Confident84.2Confident163 Ų16399 Ų9976%0.75550%0.502SS*.G310 helixtrans-105.6-3.5-178.7-62.1-58.4000113.3E342 M343 S347E342-H345 PolarHBondContact O-N 3Å; E342-H345 VanDerWaalsContact O-N 3.12Å; M343-H345 PolarHBondContact O-N 3.1Å; H345-S347 PolarHBondContact O-N 3.41Å
346C83.4Confident83.6Confident43 Ų4399.1 Ų99.129%0.29151%0.505SS..  trans-77120.5-180-179.70000111.3E342 M343 H348 C349 Q350E342-C346 PolarHBondContact O-N 3.31Å; M343-C346 PolarHBondContact O-N 2.72Å; C346-H348 PolarHBondContact O-N 2.97Å; C346-C349 HydrophobicContact CB-CB 3.92Å; C346-C349 PolarHBondContact O-N 3.31Å; C346-C349 VanDerWaalsContact O-N 3.07Å; C346-Q350 PolarHBondContact O-N 3.34Å
347S80.4Confident83Confident86 Ų86102.4 Ų102.460%0.60152%0.52SS*.THydrogen-bonded Turntrans-61.7-27.5177.953.90000113.8H345H345-S347 PolarHBondContact O-N 3.41Å
348H79.6Confident82.3Confident157 Ų157105.4 Ų105.473%0.72754%0.536SS*.THydrogen-bonded Turntrans-81.6-17176.8-68.3-73.2000113.6C346C346-H348 PolarHBondContact O-N 2.97Å
349C79.4Confident81.6Confident29 Ų29105.1 Ų105.120%0.19653%0.534CS..THydrogen-bonded Turntrans-94.6-8.1176-61.40000112.4H286 C346H286-C349 HydrophobicContact CB-CB 3.92Å; H286-C349 WeakPolarHBondContact CB-O 3.46Å; C346-C349 HydrophobicContact CB-CB 3.92Å; C346-C349 PolarHBondContact O-N 3.31Å; C346-C349 VanDerWaalsContact O-N 3.07Å
350Q82.9Confident81Confident95 Ų95106.9 Ų106.944%0.44455%0.549SS..SBendtrans-69.9148.7174.2-72.91794.100110.9C346C346-Q350 PolarHBondContact O-N 3.34Å
351D85.9Confident80.5Confident66 Ų66111 Ų11135%0.35356%0.564SS.*PPolyproline II helixtrans-62151.7174.7-67.6-30000111F269 K273 R353F269-D351 HydrophobicContact CE1-CB 4.34Å; K273-D351 IonicContact NZ-OD1 3.5Å; K273-D351 PolarHBondContact NZ-OD1 3.01Å; K273-D351 IonicContact NZ-OD2 2.81Å; K273-D351 PolarHBondContact NZ-OD2 3.09Å; D351-R353 PolarHBondContact O-N 3.13Å
352P84.8Confident80.3Confident80 Ų80107.6 Ų107.652%0.51955%0.551SS.*PPolyproline II helixtrans-51.7138.2168.2-21.231.8000110.6F269 D354F269-P352 HydrophobicContact CE2-CG 4Å; F269-P352 VanDerWaalsContact CZ-CD 3.47Å; F269-P352 HydrophobicContact CZ-CG 4.1Å; P352-D354 PolarHBondContact O-N 3.07Å
353R80.3Confident80Confident220 Ų220103.5 Ų103.583%0.8354%0.536SS*.  trans-86.6100.6171.8-61.3-178.5-173.5-1761.1107.2D351D351-R353 PolarHBondContact O-N 3.13Å
354D64.1Low79.7Confident212 Ų212110.5 Ų110.5100%1.13457%0.573SS**  trans-71.10171.6-76.4-22.2000112.2P352P352-D354 PolarHBondContact O-N 3.07Å

Retrieved 354 of 354 residues in 101.1 ms (Link to these results)