A0A087YA51_POEFO Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A

AlphaFold DB (A0A3B3UHV7), UniProt , Accession A0A087YA51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low60.4Low244 Ų244158.2 Ų158.2100%1.20279%0.789SS**  0104.50-101.5177.3169.100108.3
2T36.6Very low63Low137 Ų137156.8 Ų156.884%0.8478%0.778SS**  trans-169.697.8145.622.70000105.9L4T2-L4 PolarHBondContact O-N 3.18Å; T2-L4 VanDerWaalsContact O-N 3.09Å
3K45.4Very low65.3Low215 Ų215155.7 Ų155.794%0.93577%0.766SS**  trans-68.295.9173.9-75.8175.5173.7176.40108.1G5K3-G5 VanDerWaalsContact C-N 3.28Å; K3-G5 PolarHBondContact O-N 3.06Å
4L44.3Very low67.2Low163 Ų163151.7 Ų151.785%0.85374%0.744SS**  trans-78.688.6153.6-100.8102.5000107.6T2 F6T2-L4 PolarHBondContact O-N 3.18Å; T2-L4 VanDerWaalsContact O-N 3.09Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.14Å; L4-F6 VanDerWaalsContact O-N 3.14Å
5G47.6Very low68.8Low71 Ų71144.9 Ų144.973%0.73271%0.713SS**  trans-79.873.1172.800000111.3K3K3-G5 VanDerWaalsContact C-N 3.28Å; K3-G5 PolarHBondContact O-N 3.06Å
6F50.9Low70.3Confident184 Ų184140.9 Ų140.981%0.80770%0.699SS**SBendtrans-126108.5165.6-99.2-94.8000109L4L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.14Å; L4-F6 VanDerWaalsContact O-N 3.14Å
7L63.4Low71.7Confident146 Ų146138.5 Ų138.576%0.76469%0.689SS**  trans5282.8168.1-74.9142.4000116.9L9L7-L9 PolarHBondContact O-N 3.09Å
8R73.3Confident73Confident258 Ų258136.4 Ų136.497%0.97468%0.68SS**  trans-70.899.7159.7-85.4-171.1174.5-175.3-2.6109.6
9L81.7Confident74.1Confident75 Ų75131.6 Ų131.639%0.39365%0.654SS.*  trans-71.9146.9171.3-66.9170.4000110.6L7 K13 Q14L7-L9 PolarHBondContact O-N 3.09Å; L9-K13 HydrophobicContact CB-CB 4.43Å; L9-K13 HydrophobicContact CD2-CD 4.43Å; L9-Q14 HydrophobicContact CB-CG 3.63Å; L9-Q14 HydrophobicContact CD1-CG 4.38Å
10S90.7Very high75.1Confident67 Ų67130.9 Ų130.947%0.46965%0.652SS.*  trans-61.5149169.6174.60000110.4E12 K13 Q14S10-E12 PolarHBondContact O-N 2.93Å; S10-K13 WeakPolarHBondContact O-CA 3.47Å; S10-K13 WeakPolarHBondContact O-CB 3.24Å; S10-K13 PolarHBondContact O-N 2.99Å; S10-Q14 WeakPolarHBondContact O-CG 3.49Å; S10-Q14 PolarHBondContact O-N 3.24Å
11Y89.2Confident76.1Confident180 Ų180129.1 Ų129.171%0.70665%0.645SS**Hα-helixtrans-51.9-42.5175.5175.7-101.8000112K13 Q14 D15Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 2.96Å; Y11-Q14 PolarHBondContact O-N 2.91Å; Y11-D15 VanDerWaalsContact O-CB 3.32Å; Y11-D15 WeakPolarHBondContact O-CB 3.47Å; Y11-D15 PolarHBondContact O-N 3.25Å
12E91.2Very high78.7Confident142 Ų142120.1 Ų120.166%0.66460%0.601SS**Hα-helixtrans-65.9-35.8178.4-173.9173.3-164.600112.7S10 T16S10-E12 PolarHBondContact O-N 2.93Å; E12-T16 VanDerWaalsContact O-CB 3.24Å; E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.4Å; E12-T16 PolarHBondContact O-OG1 3.28Å
13K92.4Very high81.5Confident142 Ų142115.1 Ų115.162%0.61757%0.569SS**Hα-helixtrans-68.9-40.3174.7-69.8-172.7177-176.50111L9 S10 Y11 L17L9-K13 HydrophobicContact CB-CB 4.43Å; L9-K13 HydrophobicContact CD2-CD 4.43Å; S10-K13 WeakPolarHBondContact O-CA 3.47Å; S10-K13 WeakPolarHBondContact O-CB 3.24Å; S10-K13 PolarHBondContact O-N 2.99Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 2.96Å; K13-L17 WeakPolarHBondContact O-CB 3.26Å; K13-L17 PolarHBondContact O-N 2.87Å
14Q92.3Very high83.9Confident100 Ų100108 Ų10847%0.46755%0.546SS..Hα-helixtrans-66.4-46.6177.2-68.4177-19.600111.8L9 S10 Y11 L17 L18L9-Q14 HydrophobicContact CB-CG 3.63Å; L9-Q14 HydrophobicContact CD1-CG 4.38Å; S10-Q14 WeakPolarHBondContact O-CG 3.49Å; S10-Q14 PolarHBondContact O-N 3.24Å; Y11-Q14 PolarHBondContact O-N 2.91Å; Q14-L17 PolarHBondContact O-N 3.3Å; Q14-L18 WeakPolarHBondContact O-CB 3.16Å; Q14-L18 PolarHBondContact O-N 2.85Å
15D91.8Very high86.3Confident50 Ų50106 Ų10627%0.26753%0.533SS..Hα-helixtrans-64.3-44179.317755.9000111.8Y11 L18 K19Y11-D15 VanDerWaalsContact O-CB 3.32Å; Y11-D15 WeakPolarHBondContact O-CB 3.47Å; Y11-D15 PolarHBondContact O-N 3.25Å; D15-L18 PolarHBondContact O-N 3.37Å; D15-K19 VanDerWaalsContact CG-NZ 3.27Å; D15-K19 WeakPolarHBondContact O-CB 3.34Å; D15-K19 VanDerWaalsContact O-CG 3.31Å; D15-K19 WeakPolarHBondContact O-CG 3.32Å; D15-K19 PolarHBondContact O-N 2.81Å; D15-K19 WeakPolarHBondContact OD1-CE 3.41Å; D15-K19 IonicContact OD1-NZ 3.63Å; D15-K19 PolarHBondContact OD1-NZ 3.44Å; D15-K19 WeakPolarHBondContact OD2-CE 3.31Å; D15-K19 IonicContact OD2-NZ 2.96Å; D15-K19 PolarHBondContact OD2-NZ 2.98Å
16T92.9Very high88.6Confident81 Ų81102.9 Ų102.950%0.49750%0.501SS..Hα-helixtrans-64.4-44.4175.4-590000111.7E12 L18 K19 L20E12-T16 VanDerWaalsContact O-CB 3.24Å; E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.4Å; E12-T16 PolarHBondContact O-OG1 3.28Å; T16-L18 VanDerWaalsContact C-N 3.34Å; T16-L18 PolarHBondContact O-N 3.39Å; T16-K19 PolarHBondContact O-N 3.43Å; T16-L20 WeakPolarHBondContact O-CB 3.31Å; T16-L20 PolarHBondContact O-N 2.9Å
17L94.1Very high90.7Very high100 Ų10094.8 Ų94.852%0.52447%0.468SS..Hα-helixtrans-61.4-42.9177.4-179.564.3000111.6K13 Q14 L20 L21K13-L17 WeakPolarHBondContact O-CB 3.26Å; K13-L17 PolarHBondContact O-N 2.87Å; Q14-L17 PolarHBondContact O-N 3.3Å; L17-L20 PolarHBondContact O-N 3.4Å; L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 PolarHBondContact O-N 2.96Å
18L93.9Very high92.3Very high100 Ų10092 Ų9252%0.52446%0.457SS..Hα-helixtrans-67-41.7180-165.469.8000111.7Q14 D15 T16 L21 I22Q14-L18 WeakPolarHBondContact O-CB 3.16Å; Q14-L18 PolarHBondContact O-N 2.85Å; D15-L18 PolarHBondContact O-N 3.37Å; T16-L18 VanDerWaalsContact C-N 3.34Å; T16-L18 PolarHBondContact O-N 3.39Å; L18-L21 PolarHBondContact O-N 3.4Å; L18-I22 HydrophobicContact CD1-CD1 4.4Å; L18-I22 HydrophobicContact CD2-CD1 4.48Å; L18-I22 HydrophobicContact CG-CD1 3.89Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.13Å; L18-I22 PolarHBondContact O-N 3.26Å
19K94.4Very high93.3Very high46 Ų4683.4 Ų83.420%0.243%0.43CS..Hα-helixtrans-60.3-47.2174-75.4167.8-176.4165.50111.6D15 T16 L23 L145D15-K19 VanDerWaalsContact CG-NZ 3.27Å; D15-K19 WeakPolarHBondContact O-CB 3.34Å; D15-K19 VanDerWaalsContact O-CG 3.31Å; D15-K19 WeakPolarHBondContact O-CG 3.32Å; D15-K19 PolarHBondContact O-N 2.81Å; D15-K19 WeakPolarHBondContact OD1-CE 3.41Å; D15-K19 IonicContact OD1-NZ 3.63Å; D15-K19 PolarHBondContact OD1-NZ 3.44Å; D15-K19 WeakPolarHBondContact OD2-CE 3.31Å; D15-K19 IonicContact OD2-NZ 2.96Å; D15-K19 PolarHBondContact OD2-NZ 2.98Å; T16-K19 PolarHBondContact O-N 3.43Å; K19-L23 WeakPolarHBondContact O-CB 3.4Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.45Å; K19-L23 PolarHBondContact O-N 2.97Å; K19-L145 HydrophobicContact CG-CD1 4.16Å
20L94.8Very high93.9Very high117 Ų11779.8 Ų79.861%0.61341%0.411SS*.Hα-helixtrans-62.3-44.9179.1-177.864.3000111.3T16 L17 L23 S24T16-L20 WeakPolarHBondContact O-CB 3.31Å; T16-L20 PolarHBondContact O-N 2.9Å; L17-L20 PolarHBondContact O-N 3.4Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-S24 VanDerWaalsContact O-CB 3.3Å; L20-S24 WeakPolarHBondContact O-CB 3.12Å; L20-S24 PolarHBondContact O-N 3.34Å
21L96.1Very high94.2Very high94 Ų9479.7 Ų79.749%0.49240%0.403SS..Hα-helixtrans-62.1-48.9179.2-176.567.2000111.7L17 L18 L23 S24 M25L17-L21 VanDerWaalsContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 PolarHBondContact O-N 2.96Å; L18-L21 PolarHBondContact O-N 3.4Å; L21-L23 PolarHBondContact O-N 3.44Å; L21-S24 PolarHBondContact O-N 3.35Å; L21-M25 HydrophobicContact CD1-SD 4.44Å; L21-M25 HydrophobicContact CG-SD 4.18Å; L21-M25 WeakPolarHBondContact O-CB 3.2Å; L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 3.18Å
22I95.2Very high94.4Very high55 Ų5573.8 Ų73.828%0.28239%0.388SS..Hα-helixtrans-64.2-43.3-179-67.4167000110.9L18 M25 A26 L145L18-I22 HydrophobicContact CD1-CD1 4.4Å; L18-I22 HydrophobicContact CD2-CD1 4.48Å; L18-I22 HydrophobicContact CG-CD1 3.89Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 VanDerWaalsContact O-CG1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.13Å; L18-I22 PolarHBondContact O-N 3.26Å; I22-M25 PolarHBondContact O-N 3.12Å; I22-A26 WeakPolarHBondContact O-CB 3.48Å; I22-A26 PolarHBondContact O-N 3Å; I22-L145 HydrophobicContact CB-CD2 4.17Å; I22-L145 HydrophobicContact CD1-CD1 3.95Å; I22-L145 HydrophobicContact CG2-CB 4.26Å; I22-L145 HydrophobicContact CG2-CD2 3.95Å; I22-L145 HydrophobicContact CG2-CG 4.5Å
23L94.8Very high94.6Very high31 Ų3167.6 Ų67.616%0.16236%0.36CS..Hα-helixtrans-65.3-40.5177.5-71.1174000111.8K19 L20 L21 A26 A27 Y132 L145 A148K19-L23 WeakPolarHBondContact O-CB 3.4Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.45Å; K19-L23 PolarHBondContact O-N 2.97Å; L20-L23 PolarHBondContact O-N 3.47Å; L21-L23 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 2.59Å; L23-A27 VanDerWaalsContact O-CB 3.23Å; L23-A27 WeakPolarHBondContact O-CB 3.29Å; L23-A27 PolarHBondContact O-N 3.22Å; L23-Y132 HydrophobicContact CD1-CD1 3.98Å; L23-Y132 HydrophobicContact CD1-CD2 4.47Å; L23-Y132 HydrophobicContact CD1-CE1 4.04Å; L23-Y132 HydrophobicContact CD1-CG 4.21Å; L23-Y132 HydrophobicContact CD2-CD1 4.29Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.74Å; L23-L145 HydrophobicContact CD1-CD2 4.47Å; L23-L145 HydrophobicContact CD2-CD2 3.96Å; L23-L145 HydrophobicContact CG-CD2 3.83Å; L23-A148 HydrophobicContact CD2-CB 4.23Å
24S95.9Very high94.6Very high65 Ų6560.9 Ų60.946%0.45533%0.33SS..Hα-helixtrans-62.2-43.7174.6-172.40000111.5L20 L21 A27 V28L20-S24 VanDerWaalsContact O-CB 3.3Å; L20-S24 WeakPolarHBondContact O-CB 3.12Å; L20-S24 PolarHBondContact O-N 3.34Å; L21-S24 PolarHBondContact O-N 3.35Å; S24-A27 PolarHBondContact O-N 3.01Å; S24-V28 WeakPolarHBondContact O-CB 3.28Å; S24-V28 VanDerWaalsContact O-CG2 3.28Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.26Å
25M96.1Very high94.7Very high121 Ų12157.6 Ų57.660%0.59632%0.316SS*.Hα-helixtrans-65.5-42.1176.9-71.8179.471.900111.8L21 I22 V28 L29L21-M25 HydrophobicContact CD1-SD 4.44Å; L21-M25 HydrophobicContact CG-SD 4.18Å; L21-M25 WeakPolarHBondContact O-CB 3.2Å; L21-M25 VanDerWaalsContact O-CG 3.31Å; L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 3.18Å; I22-M25 PolarHBondContact O-N 3.12Å; M25-V28 PolarHBondContact O-N 2.94Å; M25-L29 WeakPolarHBondContact O-CB 3.3Å; M25-L29 PolarHBondContact O-N 2.9Å
26A95.3Very high94.6Very high6 Ų657.7 Ų57.75%0.0531%0.314CS..Hα-helixtrans-64-41.1176.800000111.9I22 L23 S30I22-A26 WeakPolarHBondContact O-CB 3.48Å; I22-A26 PolarHBondContact O-N 3Å; L23-A26 PolarHBondContact O-N 2.59Å; A26-S30 VanDerWaalsContact O-CB 3.23Å; A26-S30 WeakPolarHBondContact O-CB 3.4Å; A26-S30 PolarHBondContact O-N 2.78Å
27A95.2Very high94.3Very high15 Ų1553.9 Ų53.912%0.12429%0.291CS..Hα-helixtrans-63.2-45.6176.300000112.2L23 S24 F31 S125L23-A27 VanDerWaalsContact O-CB 3.23Å; L23-A27 WeakPolarHBondContact O-CB 3.29Å; L23-A27 PolarHBondContact O-N 3.22Å; S24-A27 PolarHBondContact O-N 3.01Å; A27-F31 PolarHBondContact O-N 3.46Å; A27-F31 VanDerWaalsContact O-N 3.17Å; A27-S125 WeakPolarHBondContact CA-OG 3.45Å; A27-S125 VanDerWaalsContact CB-OG 3.26Å; A27-S125 WeakPolarHBondContact CB-OG 3.43Å; A27-S125 PolarHBondContact O-OG 3.13Å
28V96.4Very high94Very high88 Ų8850.4 Ų50.453%0.53327%0.274SS..Hα-helixtrans-68-42.3177.1170.90000111.3S24 M25 F31 S32S24-V28 WeakPolarHBondContact O-CB 3.28Å; S24-V28 VanDerWaalsContact O-CG2 3.28Å; S24-V28 WeakPolarHBondContact O-CG2 3.48Å; S24-V28 PolarHBondContact O-N 3.26Å; M25-V28 PolarHBondContact O-N 2.94Å; V28-F31 PolarHBondContact O-N 3.35Å; V28-S32 WeakPolarHBondContact O-CB 3.31Å; V28-S32 PolarHBondContact O-N 2.97Å; V28-S32 PolarHBondContact O-OG 3.22Å
29L95.1Very high93.8Very high76 Ų7652.1 Ų52.140%0.39828%0.283SS..Hα-helixtrans-62.1-45.5176.3-178.263000110.9M25 F31 S32 T33 V153M25-L29 WeakPolarHBondContact O-CB 3.3Å; M25-L29 PolarHBondContact O-N 2.9Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 2.95Å; L29-S32 PolarHBondContact O-N 3.38Å; L29-T33 HydrophobicContact CD1-CG2 3.82Å; L29-T33 HydrophobicContact CG-CG2 4.22Å; L29-T33 WeakPolarHBondContact O-CG2 3.36Å; L29-T33 PolarHBondContact O-N 3.33Å; L29-T33 PolarHBondContact O-OG1 2.88Å; L29-T33 VanDerWaalsContact O-OG1 3.13Å; L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.9Å
30S95.1Very high93.3Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-58.6-39.7177.9-175.50000112.5A26 T33 R34 S124A26-S30 VanDerWaalsContact O-CB 3.23Å; A26-S30 WeakPolarHBondContact O-CB 3.4Å; A26-S30 PolarHBondContact O-N 2.78Å; S30-T33 PolarHBondContact O-OG1 2.99Å; S30-R34 WeakPolarHBondContact O-CD 3.38Å; S30-R34 PolarHBondContact O-NH1 3.34Å; S30-R34 PolarHBondContact OG-NH1 3.3Å; S30-S124 PolarHBondContact OG-O 3.43Å; S30-S124 PolarHBondContact OG-OG 3.44Å
31F95.3Very high92.8Very high65 Ų6550.6 Ų50.629%0.28527%0.268SS..Hα-helixtrans-69.4-47.7175.5-169.6-86.6000111A27 V28 L29 T33 R34 L35 F118 P121A27-F31 PolarHBondContact O-N 3.46Å; A27-F31 VanDerWaalsContact O-N 3.17Å; V28-F31 PolarHBondContact O-N 3.35Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 2.95Å; F31-T33 PolarHBondContact O-N 3.34Å; F31-R34 PolarHBondContact O-N 3.45Å; F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CD1-CD2 4.5Å; F31-L35 HydrophobicContact CD1-CG 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.85Å; F31-L35 HydrophobicContact CE1-CD2 4.02Å; F31-L35 HydrophobicContact CE1-CG 4.33Å; F31-F118 HydrophobicContact CZ-CD1 4.46Å; F31-P121 HydrophobicContact CD2-CB 3.6Å; F31-P121 HydrophobicContact CE2-CB 3.64Å; F31-P121 HydrophobicContact CG-CB 4.18Å; F31-P121 HydrophobicContact CZ-CB 4.26Å
32S94.9Very high92.3Very high56 Ų5649.8 Ų49.839%0.39226%0.262SS..Hα-helixtrans-66.6-39.2-172.6-55.80000113.2V28 L29 R34 L35V28-S32 WeakPolarHBondContact O-CB 3.31Å; V28-S32 PolarHBondContact O-N 2.97Å; V28-S32 PolarHBondContact O-OG 3.22Å; L29-S32 PolarHBondContact O-N 3.38Å; S32-R34 PolarHBondContact O-N 2.97Å; S32-L35 PolarHBondContact O-N 2.91Å
33T93.8Very high91.9Very high12 Ų1249 Ų497%0.07426%0.261CS..THydrogen-bonded Turntrans-66.2-16.118054.30000113.4L29 S30 F31 F36 V153 T479L29-T33 HydrophobicContact CD1-CG2 3.82Å; L29-T33 HydrophobicContact CG-CG2 4.22Å; L29-T33 WeakPolarHBondContact O-CG2 3.36Å; L29-T33 PolarHBondContact O-N 3.33Å; L29-T33 PolarHBondContact O-OG1 2.88Å; L29-T33 VanDerWaalsContact O-OG1 3.13Å; S30-T33 PolarHBondContact O-OG1 2.99Å; F31-T33 PolarHBondContact O-N 3.34Å; T33-F36 WeakPolarHBondContact O-CD2 3.49Å; T33-V153 HydrophobicContact CG2-CG1 4.4Å; T33-T479 VanDerWaalsContact O-CG2 3.3Å; T33-T479 WeakPolarHBondContact O-CG2 3.42Å
34R94Very high91.5Very high0 Ų048.1 Ų48.10%026%0.258CS..THydrogen-bonded Turntrans-92.3-3.2-179.8-72.4166.4170.973.23.6113.8S30 F31 S32 P121 S124 A152 I158 S161 V162 A163S30-R34 WeakPolarHBondContact O-CD 3.38Å; S30-R34 PolarHBondContact O-NH1 3.34Å; S30-R34 PolarHBondContact OG-NH1 3.3Å; F31-R34 PolarHBondContact O-N 3.45Å; S32-R34 PolarHBondContact O-N 2.97Å; R34-P121 HydrophobicContact CB-CB 4.28Å; R34-P121 HydrophobicContact CB-CG 4.03Å; R34-S124 PolarHBondContact NE-OG 3.39Å; R34-S124 VanDerWaalsContact NE-OG 3.16Å; R34-S124 PolarHBondContact NH1-OG 2.95Å; R34-S124 PolarHBondContact NH2-OG 2.82Å; R34-A152 PolarHBondContact NH1-O 2.98Å; R34-I158 HydrophobicContact CG-CG1 4.49Å; R34-I158 HydrophobicContact CG-CG2 4.43Å; R34-S161 WeakPolarHBondContact CD-O 3.2Å; R34-S161 PolarHBondContact NE-OG 3.32Å; R34-S161 PolarHBondContact NH2-OG 3.41Å; R34-V162 WeakPolarHBondContact O-CG1 3.49Å; R34-A163 VanDerWaalsContact O-CB 3.24Å; R34-A163 WeakPolarHBondContact O-CB 3.48Å; R34-A163 PolarHBondContact O-N 2.95Å
35L93.6Very high91.2Very high32 Ų3245.2 Ų45.217%0.16824%0.237CC..  trans-90.4-2.2-174-59.8176.7000114.2F31 S32 S37 V38 L39 F118 A163F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CD1-CD2 4.5Å; F31-L35 HydrophobicContact CD1-CG 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.85Å; F31-L35 HydrophobicContact CE1-CD2 4.02Å; F31-L35 HydrophobicContact CE1-CG 4.33Å; S32-L35 PolarHBondContact O-N 2.91Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.38Å; L35-V38 PolarHBondContact O-N 2.89Å; L35-V38 VanDerWaalsContact O-N 3.15Å; L35-L39 HydrophobicContact CB-CD1 4.13Å; L35-L39 HydrophobicContact CB-CG 4.25Å; L35-L39 WeakPolarHBondContact O-CB 3.24Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.11Å; L35-L39 PolarHBondContact O-N 3.49Å; L35-F118 HydrophobicContact CD2-CD1 4.06Å; L35-F118 HydrophobicContact CD2-CE1 3.82Å; L35-A163 HydrophobicContact CD2-CB 4.04Å
36F90Very high90.6Very high52 Ų5239.9 Ų39.923%0.22821%0.21CC..Hα-helixtrans-57.3-37.6-174.6-79.7-73.7000113.8T33 R40 T476 T479 S484T33-F36 WeakPolarHBondContact O-CD2 3.49Å; F36-R40 VanDerWaalsContact O-CB 3.3Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 VanDerWaalsContact O-CG 3.25Å; F36-R40 WeakPolarHBondContact O-CG 3.33Å; F36-R40 PolarHBondContact O-N 3.02Å; F36-R40 VanDerWaalsContact O-N 3.07Å; F36-T476 HydrophobicContact CZ-CG2 4.24Å; F36-T479 HydrophobicContact CD2-CG2 3.81Å; F36-T479 HydrophobicContact CE2-CG2 4.21Å; F36-S484 WeakPolarHBondContact CB-OG 3.43Å
37S86.1Confident90.1Very high1 Ų141.6 Ų41.61%0.00722%0.217CC..Hα-helixtrans-61.8-51.1175.653.10000111.3L35 L39 R40 F41 V162 A163L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.38Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-L39 PolarHBondContact O-N 3.5Å; S37-R40 PolarHBondContact O-N 2.86Å; S37-F41 WeakPolarHBondContact O-CB 3.44Å; S37-F41 WeakPolarHBondContact O-CD2 3.25Å; S37-F41 PolarHBondContact O-N 3.08Å; S37-V162 WeakPolarHBondContact OG-CG1 3.31Å; S37-A163 PolarHBondContact OG-O 2.85Å
38V88.9Confident89.4Confident27 Ų2743.1 Ų43.116%0.16422%0.221CC..Hα-helixtrans-65.6-35.9-179.4177.90000111.8L35 V117 F118 A163L35-V38 PolarHBondContact O-N 2.89Å; L35-V38 VanDerWaalsContact O-N 3.15Å; V38-V117 HydrophobicContact CG2-CG1 4.07Å; V38-F118 HydrophobicContact CG1-CE1 4.35Å; V38-F118 HydrophobicContact CG1-CZ 4.17Å; V38-F118 HydrophobicContact CG2-CE1 4.48Å; V38-A163 HydrophobicContact CG2-CB 3.6Å
39L88.2Confident89Confident136 Ų13640.9 Ų40.971%0.71221%0.206SC*.Hα-helixtrans-72.4-32.9178.2-70.6172.9000113L35 S37L35-L39 HydrophobicContact CB-CD1 4.13Å; L35-L39 HydrophobicContact CB-CG 4.25Å; L35-L39 WeakPolarHBondContact O-CB 3.24Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.11Å; L35-L39 PolarHBondContact O-N 3.49Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-L39 PolarHBondContact O-N 3.5Å
40R83.9Confident88.8Confident91 Ų9137.3 Ų37.334%0.34319%0.187SC..Hα-helixtrans-87-24.5-177.9-75.2175.4170.1-165.7-4.7113.6F36 S37 S480 E481 R499F36-R40 VanDerWaalsContact O-CB 3.3Å; F36-R40 WeakPolarHBondContact O-CB 3.26Å; F36-R40 VanDerWaalsContact O-CG 3.25Å; F36-R40 WeakPolarHBondContact O-CG 3.33Å; F36-R40 PolarHBondContact O-N 3.02Å; F36-R40 VanDerWaalsContact O-N 3.07Å; S37-R40 PolarHBondContact O-N 2.86Å; R40-S480 PolarHBondContact NH1-O 3Å; R40-S480 PolarHBondContact NH2-OG 3.23Å; R40-E481 IonicContact CZ-OE1 2.74Å; R40-E481 IonicContact NH1-OE1 2.77Å; R40-E481 IonicContact NH2-OE1 2.64Å; R40-E481 PolarHBondContact NH2-OE1 3.29Å; R40-R499 PolarHBondContact O-NH1 3.04Å
41F84.1Confident88.7Confident39 Ų3937.7 Ų37.717%0.17119%0.189CC..SBendtrans-130.7-138.1-175.3-61.4-88.5000109S37 P486 V489 R499S37-F41 WeakPolarHBondContact O-CB 3.44Å; S37-F41 WeakPolarHBondContact O-CD2 3.25Å; S37-F41 PolarHBondContact O-N 3.08Å; F41-P486 HydrophobicContact CD1-CG 3.97Å; F41-P486 HydrophobicContact CD2-CG 3.82Å; F41-P486 HydrophobicContact CE1-CG 3.67Å; F41-P486 HydrophobicContact CE2-CG 3.55Å; F41-P486 HydrophobicContact CG-CG 3.97Å; F41-P486 HydrophobicContact CZ-CG 3.35Å; F41-V489 HydrophobicContact CD1-CG1 4.43Å; F41-V489 HydrophobicContact CE1-CG1 4.26Å; F41-R499 VanDerWaalsContact CE1-CZ 3.49Å
42E85.8Confident88.7Confident77 Ų7735.2 Ų35.236%0.3618%0.178SC..  trans-110.4159.9176.355170.6-132.900111V44 R506E42-V44 VanDerWaalsContact C-N 3.28Å; E42-V44 HydrophobicContact CG-CB 4.09Å; E42-V44 HydrophobicContact CG-CG1 3.81Å; E42-V44 PolarHBondContact O-N 2.92Å; E42-V44 VanDerWaalsContact OE1-CB 3.25Å; E42-V44 WeakPolarHBondContact OE1-CB 3.45Å; E42-V44 WeakPolarHBondContact OE1-CG1 3.3Å; E42-R506 IonicContact OE1-CZ 3.78Å; E42-R506 IonicContact OE1-NH1 2.76Å; E42-R506 PolarHBondContact OE1-NH1 3.45Å; E42-R506 IonicContact OE2-CZ 3.67Å; E42-R506 IonicContact OE2-NH1 3.89Å; E42-R506 PolarHBondContact OE2-NH1 3.44Å; E42-R506 IonicContact OE2-NH2 2.89Å
43S87.1Confident88.7Confident38 Ų3833 Ų3327%0.26616%0.162SC..SBendtrans-75.580.4171.660.10000110.4
44V86.9Confident88.7Confident14 Ų1434.3 Ų34.39%0.08517%0.166CC..  trans-127.2160.7176.672.40000110.5E42 H46 G164 I488E42-V44 VanDerWaalsContact C-N 3.28Å; E42-V44 HydrophobicContact CG-CB 4.09Å; E42-V44 HydrophobicContact CG-CG1 3.81Å; E42-V44 PolarHBondContact O-N 2.92Å; E42-V44 VanDerWaalsContact OE1-CB 3.25Å; E42-V44 WeakPolarHBondContact OE1-CB 3.45Å; E42-V44 WeakPolarHBondContact OE1-CG1 3.3Å; V44-H46 PolarHBondContact O-CE1 2.92Å; V44-H46 VanDerWaalsContact O-CE1 3.25Å; V44-H46 PolarHBondContact O-ND1 3.45Å; V44-G164 WeakPolarHBondContact O-CA 3.44Å; V44-I488 HydrophobicContact CG1-CG2 4.42Å
45I89.6Confident88.8Confident3 Ų336.5 Ų36.52%0.01517%0.174CC..  trans-71.9138.6174.4-68158.1000109.3P50 Y51 Y54 V117 G164I45-P50 HydrophobicContact CG2-CB 3.4Å; I45-P50 HydrophobicContact CG2-CG 4.47Å; I45-Y51 HydrophobicContact CB-CE1 4.27Å; I45-Y51 HydrophobicContact CG2-CD2 4.25Å; I45-Y51 HydrophobicContact CG2-CE1 4.43Å; I45-Y51 HydrophobicContact CG2-CE2 4.09Å; I45-Y51 HydrophobicContact CG2-CG 4.48Å; I45-Y51 PolarHBondContact O-OH 3.29Å; I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.53Å; I45-Y54 HydrophobicContact CD1-CE1 4.31Å; I45-Y54 HydrophobicContact CD1-CE2 4.22Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; I45-V117 HydrophobicContact CG1-CG2 4.22Å; I45-G164 CarbonylContact C-O 3.6Å; I45-G164 VanDerWaalsContact CA-O 3.3Å; I45-G164 WeakPolarHBondContact CA-O 3.46Å
46H83.6Confident88.8Confident9 Ų935 Ų354%0.04217%0.166CC..  trans-109.3170.2-179.6-55.5-38.7000111V44 P50 G164V44-H46 PolarHBondContact O-CE1 2.92Å; V44-H46 VanDerWaalsContact O-CE1 3.25Å; V44-H46 PolarHBondContact O-ND1 3.45Å; H46-P50 WeakPolarHBondContact O-CD 3.48Å; H46-P50 WeakPolarHBondContact O-CG 3.29Å; H46-G164 PolarHBondContact N-O 3.31Å
47E83.9Confident89.1Confident43 Ų4332.5 Ų32.520%0.20116%0.155CC..SBendtrans62.4-173.7-177.7-59.1180-154.200113.9P50 Y51 R160 Q531E47-P50 HydrophobicContact CB-CG 4.4Å; E47-Y51 VanDerWaalsContact O-CD2 3.25Å; E47-Y51 WeakPolarHBondContact O-CD2 3.26Å; E47-Y51 WeakPolarHBondContact O-CE2 3.33Å; E47-R160 IonicContact OE2-NH1 3.4Å; E47-R160 PolarHBondContact OE2-NH1 3.28Å; E47-Q531 PolarHBondContact O-NE2 2.84Å
48F82.3Confident89.5Confident47 Ų4738 Ų3821%0.20618%0.176CC..SBendtrans-93.2-47.4-177.9-56.5-83.3000111.3D527 Y528 Q531F48-D527 WeakPolarHBondContact CD1-O 3.48Å; F48-Y528 HydrophobicContact CD1-CD1 4.27Å; F48-Y528 AromaticContact CE1-CD1 3.77Å; F48-Y528 HydrophobicContact CE1-CD1 3.77Å; F48-Y528 HydrophobicContact CE1-CE1 4.02Å; F48-Y528 HydrophobicContact CZ-CE1 4.45Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å
49D86.6Confident89.8Confident41 Ų4139.1 Ų39.122%0.21918%0.178CC..THydrogen-bonded Turntrans-60.6-44.5-174.3-66.5-24.5000114.9Y51 F52 N544D49-Y51 PolarHBondContact O-N 3.29Å; D49-Y51 VanDerWaalsContact O-N 3.07Å; D49-F52 PolarHBondContact O-N 2.98Å; D49-N544 PolarHBondContact OD1-ND2 2.74Å
50P92.2Very high90.1Very high0 Ų033 Ų330%015%0.147CC..Hα-helixtrans-63.2-19.8-174.5-31.642.6000115.6I45 H46 E47 F52 N53 Y54 Y166 D167I45-P50 HydrophobicContact CG2-CB 3.4Å; I45-P50 HydrophobicContact CG2-CG 4.47Å; H46-P50 WeakPolarHBondContact O-CD 3.48Å; H46-P50 WeakPolarHBondContact O-CG 3.29Å; E47-P50 HydrophobicContact CB-CG 4.4Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.15Å; P50-N53 PolarHBondContact O-N 3.26Å; P50-Y54 WeakPolarHBondContact O-CB 3.19Å; P50-Y54 PolarHBondContact O-N 2.74Å; P50-Y166 WeakPolarHBondContact CB-O 3.39Å; P50-D167 HydrophobicContact CG-CB 4.34Å
51Y92.9Very high90.6Very high8 Ų829.6 Ų29.63%0.03114%0.138CC..Hα-helixtrans-63.6-36.8178.2-81.7-77.5000112.7I45 E47 D49 R55 I488 Q531 A534 M535I45-Y51 HydrophobicContact CB-CE1 4.27Å; I45-Y51 HydrophobicContact CG2-CD2 4.25Å; I45-Y51 HydrophobicContact CG2-CE1 4.43Å; I45-Y51 HydrophobicContact CG2-CE2 4.09Å; I45-Y51 HydrophobicContact CG2-CG 4.48Å; I45-Y51 PolarHBondContact O-OH 3.29Å; E47-Y51 VanDerWaalsContact O-CD2 3.25Å; E47-Y51 WeakPolarHBondContact O-CD2 3.26Å; E47-Y51 WeakPolarHBondContact O-CE2 3.33Å; D49-Y51 PolarHBondContact O-N 3.29Å; D49-Y51 VanDerWaalsContact O-N 3.07Å; Y51-R55 PolarHBondContact O-N 3.29Å; Y51-I488 HydrophobicContact CE2-CD1 4.23Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.23Å; Y51-Q531 HydrophobicContact CD2-CG 3.79Å; Y51-Q531 HydrophobicContact CE2-CG 4.19Å; Y51-Q531 HydrophobicContact CG-CG 4.35Å; Y51-A534 HydrophobicContact CD1-CB 3.66Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y51-M535 HydrophobicContact CD1-CE 4.4Å; Y51-M535 HydrophobicContact CE1-CE 3.32Å; Y51-M535 HydrophobicContact CE1-CG 4.26Å; Y51-M535 VanDerWaalsContact CZ-CE 3.44Å; Y51-M535 WeakPolarHBondContact OH-CE 3.37Å
52F94.3Very high91Very high14 Ų1433.4 Ų33.46%0.06116%0.156CC..Hα-helixtrans-63.5-50.9172.8175.9-101.4000110.8D49 P50 Y54 R55 T56 I84 I88 Y530D49-F52 PolarHBondContact O-N 2.98Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.15Å; F52-Y54 PolarHBondContact O-N 2.9Å; F52-R55 PolarHBondContact O-N 3.27Å; F52-T56 WeakPolarHBondContact O-CB 3.34Å; F52-T56 PolarHBondContact O-N 3.5Å; F52-T56 PolarHBondContact O-OG1 3.42Å; F52-I84 HydrophobicContact CE2-CD1 3.92Å; F52-I84 HydrophobicContact CE2-CG1 4.42Å; F52-I84 HydrophobicContact CZ-CD1 4.32Å; F52-I84 HydrophobicContact CZ-CG1 4.45Å; F52-I84 HydrophobicContact CZ-CG2 4.04Å; F52-I88 HydrophobicContact CE1-CG2 3.68Å; F52-I88 HydrophobicContact CZ-CG2 3.7Å; F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.76Å; F52-Y530 HydrophobicContact CB-CE1 3.6Å; F52-Y530 HydrophobicContact CB-CE2 3.82Å; F52-Y530 HydrophobicContact CB-CG 3.63Å; F52-Y530 AromaticContact CD2-CD1 3.88Å; F52-Y530 HydrophobicContact CD2-CD1 3.88Å; F52-Y530 AromaticContact CD2-CE1 3.51Å; F52-Y530 HydrophobicContact CD2-CE1 3.51Å; F52-Y530 HydrophobicContact CE2-CE1 4.37Å; F52-Y530 AromaticContact CG-CD1 3.99Å; F52-Y530 HydrophobicContact CG-CD1 3.99Å; F52-Y530 AromaticContact CG-CE1 3.61Å; F52-Y530 HydrophobicContact CG-CE1 3.61Å; F52-Y530 HydrophobicContact CG-CE2 4.35Å; F52-Y530 AromaticContact CG-CZ 3.86Å
53N94.6Very high91.4Very high8 Ų833.9 Ų33.94%0.04316%0.158CC..Hα-helixtrans-57.7-41.3-179.2-64.7-26.8000110.9P50 T56 T57 L92 M93 Y166P50-N53 PolarHBondContact O-N 3.26Å; N53-T56 PolarHBondContact O-N 3.45Å; N53-T57 WeakPolarHBondContact O-CB 3.15Å; N53-T57 PolarHBondContact O-N 3.21Å; N53-T57 PolarHBondContact O-OG1 3.39Å; N53-L92 HydrophobicContact CB-CD2 4.06Å; N53-M93 HydrophobicContact CB-CE 4.19Å; N53-M93 VanDerWaalsContact OD1-CE 3.29Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; N53-Y166 HydrophobicContact CB-CD1 3.57Å; N53-Y166 HydrophobicContact CB-CE1 3.59Å; N53-Y166 PolarHBondContact ND2-O 3.36Å
54Y94.9Very high91.7Very high41 Ų4133.4 Ų33.416%0.16116%0.159CC..Hα-helixtrans-65-49.7176.8170.4-113.6000113.2I45 P50 F52 T56 T57 R58 I112 R113 C116I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.53Å; I45-Y54 HydrophobicContact CD1-CE1 4.31Å; I45-Y54 HydrophobicContact CD1-CE2 4.22Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; P50-Y54 WeakPolarHBondContact O-CB 3.19Å; P50-Y54 PolarHBondContact O-N 2.74Å; F52-Y54 PolarHBondContact O-N 2.9Å; Y54-T56 PolarHBondContact O-N 3.4Å; Y54-T57 PolarHBondContact O-N 2.76Å; Y54-T57 VanDerWaalsContact O-N 3.14Å; Y54-R58 WeakPolarHBondContact O-CB 3.27Å; Y54-R58 PolarHBondContact O-N 3.28Å; Y54-I112 HydrophobicContact CE2-CG2 4.27Å; Y54-R113 HydrophobicContact CE2-CB 3.88Å; Y54-R113 HydrophobicContact CE2-CG 4.24Å; Y54-C116 HydrophobicContact CD2-CB 4.31Å
55R94.4Very high92Very high46 Ų4637.6 Ų37.617%0.17418%0.177CC..Hα-helixtrans-55.7-43176.4-179.7179.4172.3-139.7-5.8111.1Y51 F52 R58 F59 D73Y51-R55 PolarHBondContact O-N 3.29Å; F52-R55 PolarHBondContact O-N 3.27Å; R55-R58 PolarHBondContact O-N 3.45Å; R55-F59 PolarHBondContact O-N 2.9Å; R55-D73 IonicContact CZ-OD1 3.57Å; R55-D73 IonicContact CZ-OD2 2.81Å; R55-D73 IonicContact NH1-OD1 2.82Å; R55-D73 IonicContact NH1-OD2 3.74Å; R55-D73 PolarHBondContact NH1-OD2 2.77Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.75Å; R55-D73 PolarHBondContact NH2-OD1 2.96Å; R55-D73 IonicContact NH2-OD2 2.66Å; R55-D73 PolarHBondContact NH2-OD2 3.17Å
56T94.4Very high92.2Very high0 Ų046.8 Ų46.80%021%0.213CC..Hα-helixtrans-68.6-38.4-179.4-450000111.3F52 N53 Y54 F59 L60 F68 W71 I84 I88 M93F52-T56 WeakPolarHBondContact O-CB 3.34Å; F52-T56 PolarHBondContact O-N 3.5Å; F52-T56 PolarHBondContact O-OG1 3.42Å; N53-T56 PolarHBondContact O-N 3.45Å; Y54-T56 PolarHBondContact O-N 3.4Å; T56-F59 PolarHBondContact O-N 2.72Å; T56-L60 PolarHBondContact O-N 2.9Å; T56-F68 HydrophobicContact CG2-CD2 4.27Å; T56-F68 HydrophobicContact CG2-CE2 3.28Å; T56-F68 HydrophobicContact CG2-CZ 3.84Å; T56-F68 WeakPolarHBondContact O-CE2 3.46Å; T56-W71 HydrophobicContact CG2-CE3 4.38Å; T56-W71 HydrophobicContact CG2-CZ3 3.86Å; T56-I84 HydrophobicContact CG2-CG2 3.81Å; T56-I88 HydrophobicContact CG2-CD1 3.59Å; T56-M93 HydrophobicContact CG2-CE 4.42Å; T56-M93 HydrophobicContact CG2-CG 4.28Å
57T95.6Very high92.7Very high0 Ų052.2 Ų52.20%024%0.236CC..Hα-helixtrans-68.4-40.4174.9-570000112N53 Y54 L60 A61 M93 I112 Y166N53-T57 WeakPolarHBondContact O-CB 3.15Å; N53-T57 PolarHBondContact O-N 3.21Å; N53-T57 PolarHBondContact O-OG1 3.39Å; Y54-T57 PolarHBondContact O-N 2.76Å; Y54-T57 VanDerWaalsContact O-N 3.14Å; T57-L60 PolarHBondContact O-N 3.19Å; T57-A61 WeakPolarHBondContact O-CB 3.44Å; T57-A61 PolarHBondContact O-N 2.83Å; T57-M93 WeakPolarHBondContact OG1-CG 3.23Å; T57-I112 HydrophobicContact CG2-CD1 3.97Å; T57-I112 HydrophobicContact CG2-CG1 4.12Å; T57-Y166 WeakPolarHBondContact OG1-CE1 3.4Å; T57-Y166 PolarHBondContact OG1-OH 3.01Å
58R95.2Very high93.2Very high116 Ų11650.3 Ų50.344%0.43823%0.227SC..Hα-helixtrans-61.1-46.1175-178.5179.6175.3-167.6-3.8111Y54 R55 L60 A61 E62 I112Y54-R58 WeakPolarHBondContact O-CB 3.27Å; Y54-R58 PolarHBondContact O-N 3.28Å; R55-R58 PolarHBondContact O-N 3.45Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.35Å; R58-A61 PolarHBondContact O-N 3.44Å; R58-E62 HydrophobicContact CG-CG 4.47Å; R58-E62 WeakPolarHBondContact CG-OE1 3.28Å; R58-E62 IonicContact CZ-OE1 3.57Å; R58-E62 IonicContact NE-OE1 3.86Å; R58-E62 PolarHBondContact NE-OE1 3.16Å; R58-E62 IonicContact NE-OE2 3.42Å; R58-E62 IonicContact NH2-OE1 2.64Å; R58-E62 PolarHBondContact NH2-OE1 3.47Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 3.43Å; R58-I112 HydrophobicContact CG-CG2 4.5Å
59F94.8Very high93.6Very high50 Ų5051.7 Ų51.722%0.21923%0.234CC..Hα-helixtrans-58.4-43.9174.6-171.5-90.5000111.8R55 T56 A61 E62 E63 K67 F68 W71R55-F59 PolarHBondContact O-N 2.9Å; T56-F59 PolarHBondContact O-N 2.72Å; F59-A61 VanDerWaalsContact C-N 3.33Å; F59-A61 PolarHBondContact O-N 2.85Å; F59-E62 PolarHBondContact O-N 3.45Å; F59-E63 HydrophobicContact CD1-CB 4.32Å; F59-E63 HydrophobicContact CD2-CG 4.09Å; F59-E63 HydrophobicContact CE1-CB 4.04Å; F59-E63 HydrophobicContact CE1-CG 4.38Å; F59-E63 HydrophobicContact CE2-CB 4.36Å; F59-E63 HydrophobicContact CE2-CG 3.8Å; F59-E63 HydrophobicContact CZ-CB 4.07Å; F59-E63 HydrophobicContact CZ-CG 3.96Å; F59-E63 WeakPolarHBondContact O-CB 3.17Å; F59-E63 PolarHBondContact O-N 3.02Å; F59-K67 HydrophobicContact CE1-CB 4.39Å; F59-F68 HydrophobicContact CD1-CB 4.33Å; F59-F68 HydrophobicContact CD1-CD2 4.26Å; F59-F68 HydrophobicContact CE1-CB 4.47Å; F59-W71 HydrophobicContact CB-CZ3 4.46Å; F59-W71 HydrophobicContact CD1-CD2 4.08Å; F59-W71 HydrophobicContact CD1-CE3 4.12Å; F59-W71 HydrophobicContact CD1-CG 4.32Å; F59-W71 HydrophobicContact CD2-CZ2 4.46Å; F59-W71 HydrophobicContact CE1-CB 4.04Å; F59-W71 HydrophobicContact CE1-CD2 4.05Å; F59-W71 HydrophobicContact CE1-CE3 4.5Å; F59-W71 AromaticContact CE1-CG 3.82Å; F59-W71 HydrophobicContact CE1-CG 3.82Å; F59-W71 HydrophobicContact CG-CD2 4.33Å; F59-W71 HydrophobicContact CG-CE3 4.34Å; F59-W71 HydrophobicContact CG-CZ3 4.5Å; F59-W71 HydrophobicContact CZ-CB 4.47Å; F59-W71 AromaticContact CZ-CD1 3.8Å; F59-W71 HydrophobicContact CZ-CD2 4.27Å; F59-W71 AromaticContact CZ-CG 3.94Å; F59-W71 HydrophobicContact CZ-CG 3.94Å
60L95.6Very high94Very high9 Ų955.9 Ų55.95%0.04726%0.256CS..Hα-helixtrans-62.6-37.9176.8179.759.8000113T56 T57 R58 G64 F65 F68 M93 V94 A97T56-L60 PolarHBondContact O-N 2.9Å; T57-L60 PolarHBondContact O-N 3.19Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.35Å; L60-G64 WeakPolarHBondContact O-CA 3.17Å; L60-G64 PolarHBondContact O-N 3Å; L60-F65 HydrophobicContact CD1-CB 4.14Å; L60-F65 HydrophobicContact CD1-CD2 4.07Å; L60-F68 HydrophobicContact CB-CD2 3.71Å; L60-F68 HydrophobicContact CB-CE2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.24Å; L60-F68 HydrophobicContact CD1-CB 3.72Å; L60-F68 HydrophobicContact CD1-CD1 4.19Å; L60-F68 HydrophobicContact CD1-CD2 4.15Å; L60-F68 HydrophobicContact CD1-CG 3.79Å; L60-F68 HydrophobicContact CG-CD2 4.37Å; L60-F68 HydrophobicContact CG-CG 4.48Å; L60-M93 HydrophobicContact CD2-CB 3.97Å; L60-V94 HydrophobicContact CD2-CG2 4.09Å; L60-A97 HydrophobicContact CD2-CB 3.68Å; L60-A97 HydrophobicContact CG-CB 3.87Å
61A93.9Very high94.1Very high18 Ų1857 Ų5715%0.14926%0.261CS..Hα-helixtrans-72.6-35.1179.900000113T57 R58 F59 Y100 I112T57-A61 WeakPolarHBondContact O-CB 3.44Å; T57-A61 PolarHBondContact O-N 2.83Å; R58-A61 PolarHBondContact O-N 3.44Å; F59-A61 VanDerWaalsContact C-N 3.33Å; F59-A61 PolarHBondContact O-N 2.85Å; A61-Y100 HydrophobicContact CB-CD1 4.34Å; A61-Y100 HydrophobicContact CB-CE1 4.4Å; A61-I112 HydrophobicContact CB-CD1 4.21Å; A61-I112 HydrophobicContact CB-CG1 4.31Å
62E93.2Very high94.1Very high120 Ų12062.1 Ų62.156%0.56128%0.283SS*.Hα-helixtrans-88-42.8-177.4-67.4174-177.400112.7R58 F59R58-E62 HydrophobicContact CG-CG 4.47Å; R58-E62 WeakPolarHBondContact CG-OE1 3.28Å; R58-E62 IonicContact CZ-OE1 3.57Å; R58-E62 IonicContact NE-OE1 3.86Å; R58-E62 PolarHBondContact NE-OE1 3.16Å; R58-E62 IonicContact NE-OE2 3.42Å; R58-E62 IonicContact NH2-OE1 2.64Å; R58-E62 PolarHBondContact NH2-OE1 3.47Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 3.43Å; F59-E62 PolarHBondContact O-N 3.45Å
63E93.7Very high94Very high86 Ų8661.6 Ų61.640%0.40228%0.281SS..Hα-helixtrans-100.7-16.6-171.9-67.4-66.9152.100113.9F59 K67F59-E63 HydrophobicContact CD1-CB 4.32Å; F59-E63 HydrophobicContact CD2-CG 4.09Å; F59-E63 HydrophobicContact CE1-CB 4.04Å; F59-E63 HydrophobicContact CE1-CG 4.38Å; F59-E63 HydrophobicContact CE2-CB 4.36Å; F59-E63 HydrophobicContact CE2-CG 3.8Å; F59-E63 HydrophobicContact CZ-CB 4.07Å; F59-E63 HydrophobicContact CZ-CG 3.96Å; F59-E63 WeakPolarHBondContact O-CB 3.17Å; F59-E63 PolarHBondContact O-N 3.02Å; E63-K67 HydrophobicContact CB-CB 4.24Å; E63-K67 HydrophobicContact CB-CD 3.97Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.41Å; E63-K67 IonicContact OE2-NZ 3.22Å; E63-K67 PolarHBondContact OE2-NZ 3.38Å
64G93.6Very high94Very high28 Ų2866.5 Ų66.529%0.28931%0.307SS..  trans85.2172.3178.800000115.3L60 F68L60-G64 WeakPolarHBondContact O-CA 3.17Å; L60-G64 PolarHBondContact O-N 3Å; G64-F68 WeakPolarHBondContact O-CB 3.46Å; G64-F68 PolarHBondContact O-N 3.42Å
65F93.4Very high93.8Very high103 Ų10368.2 Ų68.245%0.45231%0.313SS..Hα-helixtrans-68.4-40.9-166.3-175.6-97.7000115L60 F68 H69 V94L60-F65 HydrophobicContact CD1-CB 4.14Å; L60-F65 HydrophobicContact CD1-CD2 4.07Å; F65-F68 WeakPolarHBondContact O-CB 3.28Å; F65-F68 PolarHBondContact O-N 3.26Å; F65-H69 PolarHBondContact O-N 3.26Å; F65-V94 HydrophobicContact CD2-CG2 4.34Å; F65-V94 HydrophobicContact CE2-CG2 3.98Å
66Y93.6Very high93.8Very high196 Ų19666.1 Ų66.177%0.76931%0.306SS*.Hα-helixtrans-69.1-37.5-176.7-70.1-70.7000113N70Y66-N70 PolarHBondContact O-N 3.21Å; Y66-N70 PolarHBondContact O-ND2 3.17Å
67K93.7Very high93.7Very high122 Ų12266.1 Ų66.153%0.5331%0.306SS..Hα-helixtrans-67.6-41173.6-73.7-177176.4173.40110.8F59 E63 H69 N70 W71F59-K67 HydrophobicContact CE1-CB 4.39Å; E63-K67 HydrophobicContact CB-CB 4.24Å; E63-K67 HydrophobicContact CB-CD 3.97Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.41Å; E63-K67 IonicContact OE2-NZ 3.22Å; E63-K67 PolarHBondContact OE2-NZ 3.38Å; K67-H69 PolarHBondContact O-N 3.35Å; K67-N70 CarbonylContact O-C 3.52Å; K67-N70 PolarHBondContact O-N 3.28Å; K67-W71 PolarHBondContact O-N 2.96Å; K67-W71 VanDerWaalsContact O-N 3.09Å
68F93.8Very high93.6Very high3 Ų368.7 Ų68.71%0.01332%0.316CS..Hα-helixtrans-58.8-45.5173.9174.6-89.4000112.8T56 F59 L60 G64 F65 N70 W71 I88 P90 M93T56-F68 HydrophobicContact CG2-CD2 4.27Å; T56-F68 HydrophobicContact CG2-CE2 3.28Å; T56-F68 HydrophobicContact CG2-CZ 3.84Å; T56-F68 WeakPolarHBondContact O-CE2 3.46Å; F59-F68 HydrophobicContact CD1-CB 4.33Å; F59-F68 HydrophobicContact CD1-CD2 4.26Å; F59-F68 HydrophobicContact CE1-CB 4.47Å; L60-F68 HydrophobicContact CB-CD2 3.71Å; L60-F68 HydrophobicContact CB-CE2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.24Å; L60-F68 HydrophobicContact CD1-CB 3.72Å; L60-F68 HydrophobicContact CD1-CD1 4.19Å; L60-F68 HydrophobicContact CD1-CD2 4.15Å; L60-F68 HydrophobicContact CD1-CG 3.79Å; L60-F68 HydrophobicContact CG-CD2 4.37Å; L60-F68 HydrophobicContact CG-CG 4.48Å; G64-F68 WeakPolarHBondContact O-CB 3.46Å; G64-F68 PolarHBondContact O-N 3.42Å; F65-F68 WeakPolarHBondContact O-CB 3.28Å; F65-F68 PolarHBondContact O-N 3.26Å; F68-N70 PolarHBondContact O-N 3.33Å; F68-W71 VanDerWaalsContact O-CB 3.29Å; F68-W71 WeakPolarHBondContact O-CB 3.47Å; F68-W71 PolarHBondContact O-N 3.39Å; F68-W71 VanDerWaalsContact O-N 3.16Å; F68-I88 HydrophobicContact CZ-CD1 3.87Å; F68-P90 HydrophobicContact CE1-CB 4.12Å; F68-M93 HydrophobicContact CE2-CB 4.48Å; F68-M93 HydrophobicContact CZ-CB 4.27Å; F68-M93 HydrophobicContact CZ-CG 4.4Å
69H92Very high93.4Very high77 Ų7766.8 Ų66.836%0.35632%0.319SS..Hα-helixtrans-62.3-32.4-178.8-168.575.1000112.9F65 K67 G85 S255F65-H69 PolarHBondContact O-N 3.26Å; K67-H69 PolarHBondContact O-N 3.35Å; H69-G85 WeakPolarHBondContact O-CA 3.35Å; H69-S255 PolarHBondContact CE1-OG 3.32Å
70N93.3Very high93.3Very high128 Ų12868.3 Ų68.368%0.68433%0.328SS*.THydrogen-bonded Turntrans-103.820.3178.8-62.2-44.6000113Y66 K67 F68 F72Y66-N70 PolarHBondContact O-N 3.21Å; Y66-N70 PolarHBondContact O-ND2 3.17Å; K67-N70 CarbonylContact O-C 3.52Å; K67-N70 PolarHBondContact O-N 3.28Å; F68-N70 PolarHBondContact O-N 3.33Å; N70-F72 PolarHBondContact O-N 2.75Å
71W94.3Very high93Very high25 Ų2568.4 Ų68.410%0.09533%0.332CS..  trans-73.8120.9-173.8-178.130.5000111.9T56 F59 K67 F68 D73 I84T56-W71 HydrophobicContact CG2-CE3 4.38Å; T56-W71 HydrophobicContact CG2-CZ3 3.86Å; F59-W71 HydrophobicContact CB-CZ3 4.46Å; F59-W71 HydrophobicContact CD1-CD2 4.08Å; F59-W71 HydrophobicContact CD1-CE3 4.12Å; F59-W71 HydrophobicContact CD1-CG 4.32Å; F59-W71 HydrophobicContact CD2-CZ2 4.46Å; F59-W71 HydrophobicContact CE1-CB 4.04Å; F59-W71 HydrophobicContact CE1-CD2 4.05Å; F59-W71 HydrophobicContact CE1-CE3 4.5Å; F59-W71 AromaticContact CE1-CG 3.82Å; F59-W71 HydrophobicContact CE1-CG 3.82Å; F59-W71 HydrophobicContact CG-CD2 4.33Å; F59-W71 HydrophobicContact CG-CE3 4.34Å; F59-W71 HydrophobicContact CG-CZ3 4.5Å; F59-W71 HydrophobicContact CZ-CB 4.47Å; F59-W71 AromaticContact CZ-CD1 3.8Å; F59-W71 HydrophobicContact CZ-CD2 4.27Å; F59-W71 AromaticContact CZ-CG 3.94Å; F59-W71 HydrophobicContact CZ-CG 3.94Å; K67-W71 PolarHBondContact O-N 2.96Å; K67-W71 VanDerWaalsContact O-N 3.09Å; F68-W71 VanDerWaalsContact O-CB 3.29Å; F68-W71 WeakPolarHBondContact O-CB 3.47Å; F68-W71 PolarHBondContact O-N 3.39Å; F68-W71 VanDerWaalsContact O-N 3.16Å; W71-D73 HydrophobicContact CZ2-CB 3.9Å; W71-I84 HydrophobicContact CD2-CB 4.1Å; W71-I84 HydrophobicContact CD2-CD1 4Å; W71-I84 HydrophobicContact CD2-CG1 4.49Å; W71-I84 HydrophobicContact CD2-CG2 4.49Å; W71-I84 HydrophobicContact CE3-CB 3.57Å; W71-I84 HydrophobicContact CE3-CD1 3.56Å; W71-I84 HydrophobicContact CE3-CG1 4.1Å; W71-I84 HydrophobicContact CE3-CG2 3.51Å; W71-I84 HydrophobicContact CH2-CD1 3.27Å; W71-I84 HydrophobicContact CZ2-CD1 3.73Å; W71-I84 HydrophobicContact CZ3-CB 4.01Å; W71-I84 HydrophobicContact CZ3-CD1 3.18Å; W71-I84 HydrophobicContact CZ3-CG1 4.15Å; W71-I84 HydrophobicContact CZ3-CG2 3.7Å; W71-I84 PolarHBondContact O-N 2.86Å
72F94.4Very high93Very high114 Ų11468 Ų6850%0.533%0.326SS..EExtended strand (participates in β ladder)trans-103.3121.8165.2-178.5-102.4000109.1N70 D74 I83N70-F72 PolarHBondContact O-N 2.75Å; F72-D74 HydrophobicContact CE1-CB 4.29Å; F72-I83 HydrophobicContact CD2-CG1 3.78Å; F72-I83 HydrophobicContact CE2-CG1 4.28Å
73D92.6Very high92.9Very high3 Ų367.1 Ų67.12%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-98.8111.7177.8-172.722000109.9R55 W71 R75 R82 I84R55-D73 IonicContact CZ-OD1 3.57Å; R55-D73 IonicContact CZ-OD2 2.81Å; R55-D73 IonicContact NH1-OD1 2.82Å; R55-D73 IonicContact NH1-OD2 3.74Å; R55-D73 PolarHBondContact NH1-OD2 2.77Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.75Å; R55-D73 PolarHBondContact NH2-OD1 2.96Å; R55-D73 IonicContact NH2-OD2 2.66Å; R55-D73 PolarHBondContact NH2-OD2 3.17Å; W71-D73 HydrophobicContact CZ2-CB 3.9Å; D73-R75 PolarHBondContact OD1-N 2.82Å; D73-R82 PolarHBondContact N-O 3.37Å; D73-R82 PolarHBondContact O-N 3.5Å; D73-I84 HydrophobicContact CB-CD1 3.42Å; D73-I84 VanDerWaalsContact CB-CD1 3.42Å; D73-I84 HydrophobicContact CB-CG1 3.96Å
74D92.8Very high92.8Very high111 Ų11163 Ų6359%0.59431%0.305SS*.SBendtrans-86.2-10.6177.560.6-16.5000112.8F72F72-D74 HydrophobicContact CE1-CB 4.29Å
75R92.2Very high92.5Very high77 Ų7762.1 Ų62.129%0.29130%0.296SS..SBendtrans-86.4-10.7179.6-58.9-162.3178.8-150.2-10.6114.2D73 N537 T539 I540D73-R75 PolarHBondContact OD1-N 2.82Å; R75-N537 PolarHBondContact NH1-ND2 3.27Å; R75-N537 PolarHBondContact NH1-OD1 3.12Å; R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.26Å; R75-T539 WeakPolarHBondContact O-CA 3.32Å; R75-I540 PolarHBondContact O-N 3.4Å
76A93.1Very high92.3Very high2 Ų258.5 Ų58.52%0.01729%0.288CS..SBendtrans-118.5149.2178.400000111.2G81 I540A76-G81 VanDerWaalsContact O-CA 3.31Å; A76-G81 WeakPolarHBondContact O-CA 3.41Å; A76-I540 HydrophobicContact CB-CD1 4.3Å; A76-I540 HydrophobicContact CB-CG1 4.18Å
77W93.6Very high92.1Very high0 Ų051.3 Ų51.30%027%0.265CS..SBendtrans58.742.3-178.6-66.585.6000114P79 L80 G81 I540 L541 D543 W547 N548 H551 I552W77-P79 CarbonylContact O-C 3.54Å; W77-L80 WeakPolarHBondContact O-CA 3.43Å; W77-L80 WeakPolarHBondContact O-CB 3.24Å; W77-L80 PolarHBondContact O-N 3.43Å; W77-G81 PolarHBondContact O-N 3.04Å; W77-I540 PolarHBondContact N-O 3.02Å; W77-I540 VanDerWaalsContact N-O 3.16Å; W77-L541 WeakPolarHBondContact CA-O 3.41Å; W77-D543 HydrophobicContact CZ2-CB 4.03Å; W77-W547 AromaticContact CD1-NE1 3.65Å; W77-W547 AromaticContact CD2-CD1 3.86Å; W77-W547 AromaticContact CD2-CE2 3.96Å; W77-W547 HydrophobicContact CD2-CZ2 4.38Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.3Å; W77-W547 AromaticContact CE2-NE1 3.09Å; W77-W547 HydrophobicContact CE3-CZ2 4.32Å; W77-W547 AromaticContact CE3-NE1 3.64Å; W77-W547 AromaticContact CG-NE1 3.52Å; W77-W547 AromaticContact CH2-CD1 3.88Å; W77-W547 AromaticContact CZ2-CD1 3.34Å; W77-W547 HydrophobicContact CZ2-CG 4.3Å; W77-W547 AromaticContact CZ2-NE1 3.58Å; W77-W547 AromaticContact NE1-CD1 3.63Å; W77-W547 AromaticContact NE1-NE1 3.38Å; W77-N548 HydrophobicContact CE3-CB 4.4Å; W77-N548 HydrophobicContact CH2-CB 4.4Å; W77-N548 HydrophobicContact CZ3-CB 3.79Å; W77-H551 HydrophobicContact CE3-CB 4.47Å; W77-H551 AromaticContact CE3-CD2 3.88Å; W77-H551 HydrophobicContact CZ3-CB 4.07Å; W77-I552 HydrophobicContact CH2-CD1 4.05Å; W77-I552 HydrophobicContact CH2-CG1 4.12Å; W77-I552 HydrophobicContact CZ3-CG1 4.44Å
78Y93.9Very high92Very high55 Ų5546.1 Ų46.122%0.21624%0.242CC..THydrogen-bonded Turntrans-58.6131.6170.8-177.6-92.7000109.9K521 T539 I540 H551 L573 D574Y78-K521 HydrophobicContact CD1-CD 4Å; Y78-K521 HydrophobicContact CD1-CG 4.47Å; Y78-K521 HydrophobicContact CE1-CD 3.81Å; Y78-K521 HydrophobicContact CE2-CD 4.32Å; Y78-K521 HydrophobicContact CG-CD 4.36Å; Y78-K521 HydrophobicContact CG-CG 4.5Å; Y78-K521 VanDerWaalsContact CZ-CE 3.41Å; Y78-K521 PolarHBondContact OH-NZ 3.41Å; Y78-T539 HydrophobicContact CD2-CG2 4.5Å; Y78-T539 HydrophobicContact CG-CG2 4.4Å; Y78-I540 PolarHBondContact N-O 3.33Å; Y78-H551 PolarHBondContact O-NE2 2.9Å; Y78-L573 VanDerWaalsContact CE1-O 3.26Å; Y78-L573 WeakPolarHBondContact CE1-O 3.22Å; Y78-D574 HydrophobicContact CE1-CB 4.08Å; Y78-D574 PolarHBondContact OH-OD2 3.43Å
79P90.3Very high92Very high76 Ų7647.9 Ų47.949%0.49425%0.249SC..THydrogen-bonded Turncis-95.75.39.537-36000116.1W77W77-P79 CarbonylContact O-C 3.54Å
80L91.7Very high92.1Very high81 Ų8145.6 Ų45.642%0.42424%0.241SC..THydrogen-bonded Turntrans-80.2-42-172.6-56.3170.2000113.5W77 W547 N548W77-L80 WeakPolarHBondContact O-CA 3.43Å; W77-L80 WeakPolarHBondContact O-CB 3.24Å; W77-L80 PolarHBondContact O-N 3.43Å; L80-W547 HydrophobicContact CD1-CH2 3.91Å; L80-W547 HydrophobicContact CD1-CZ2 3.91Å; L80-N548 WeakPolarHBondContact CD1-ND2 3.28Å
81G90.6Very high92.1Very high11 Ų1139.7 Ų39.711%0.11321%0.211CC..  trans76.3169.7-166.400000113.4A76 W77A76-G81 VanDerWaalsContact O-CA 3.31Å; A76-G81 WeakPolarHBondContact O-CA 3.41Å; W77-G81 PolarHBondContact O-N 3.04Å
82R92.4Very high92.1Very high9 Ų938.5 Ų38.53%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-133.5125.2179.9-176.8178.8176.7177.5-0.9112.1D73 I84 T87 Y530 D543 N545D73-R82 PolarHBondContact N-O 3.37Å; D73-R82 PolarHBondContact O-N 3.5Å; R82-I84 HydrophobicContact CG-CG1 4.16Å; R82-I84 PolarHBondContact O-N 3.47Å; R82-T87 PolarHBondContact NE-OG1 3.29Å; R82-Y530 PolarHBondContact NH1-OH 3.47Å; R82-D543 IonicContact NH1-OD2 3.54Å; R82-N545 PolarHBondContact NH2-ND2 3.24Å
83I92.4Very high92.1Very high102 Ų10233.2 Ų33.252%0.52318%0.183SC..EExtended strand (participates in β ladder)trans-78.3100.4170.7-56164.6000108.4F72 T87F72-I83 HydrophobicContact CD2-CG1 3.78Å; F72-I83 HydrophobicContact CE2-CG1 4.28Å; I83-T87 VanDerWaalsContact O-CB 3.27Å; I83-T87 WeakPolarHBondContact O-CB 3.49Å; I83-T87 WeakPolarHBondContact O-CG2 3.45Å; I83-T87 PolarHBondContact O-N 3.44Å; I83-T87 PolarHBondContact O-OG1 3.08Å
84I90.9Very high92.2Very high0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-74.6-47.9-172.4-69.7-179000111.3F52 T56 W71 D73 R82 G86 T87 I88F52-I84 HydrophobicContact CE2-CD1 3.92Å; F52-I84 HydrophobicContact CE2-CG1 4.42Å; F52-I84 HydrophobicContact CZ-CD1 4.32Å; F52-I84 HydrophobicContact CZ-CG1 4.45Å; F52-I84 HydrophobicContact CZ-CG2 4.04Å; T56-I84 HydrophobicContact CG2-CG2 3.81Å; W71-I84 HydrophobicContact CD2-CB 4.1Å; W71-I84 HydrophobicContact CD2-CD1 4Å; W71-I84 HydrophobicContact CD2-CG1 4.49Å; W71-I84 HydrophobicContact CD2-CG2 4.49Å; W71-I84 HydrophobicContact CE3-CB 3.57Å; W71-I84 HydrophobicContact CE3-CD1 3.56Å; W71-I84 HydrophobicContact CE3-CG1 4.1Å; W71-I84 HydrophobicContact CE3-CG2 3.51Å; W71-I84 HydrophobicContact CH2-CD1 3.27Å; W71-I84 HydrophobicContact CZ2-CD1 3.73Å; W71-I84 HydrophobicContact CZ3-CB 4.01Å; W71-I84 HydrophobicContact CZ3-CD1 3.18Å; W71-I84 HydrophobicContact CZ3-CG1 4.15Å; W71-I84 HydrophobicContact CZ3-CG2 3.7Å; W71-I84 PolarHBondContact O-N 2.86Å; D73-I84 HydrophobicContact CB-CD1 3.42Å; D73-I84 VanDerWaalsContact CB-CD1 3.42Å; D73-I84 HydrophobicContact CB-CG1 3.96Å; R82-I84 HydrophobicContact CG-CG1 4.16Å; R82-I84 PolarHBondContact O-N 3.47Å; I84-G86 PolarHBondContact O-N 3.42Å; I84-T87 PolarHBondContact O-N 2.87Å; I84-I88 HydrophobicContact CG2-CD1 3.66Å; I84-I88 HydrophobicContact CG2-CG1 4.34Å; I84-I88 HydrophobicContact CG2-CG2 4.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å
85G87.2Confident92.3Very high10 Ų1030.9 Ų30.910%0.10317%0.173CC..Hα-helixtrans-58.4-25.9-174.800000115H69H69-G85 WeakPolarHBondContact O-CA 3.35Å
86G88.9Confident92.5Very high27 Ų2727.2 Ų27.228%0.27816%0.159SC..Hα-helixtrans-99.3-10.5176.200000115.5I84 F256I84-G86 PolarHBondContact O-N 3.42Å; G86-F256 WeakPolarHBondContact O-CA 3.28Å
87T89.8Confident92.6Very high45 Ų4527.4 Ų27.428%0.27616%0.16SC..Hα-helixtrans-108.510.5-17462.40000114.3R82 I83 I84 F256R82-T87 PolarHBondContact NE-OG1 3.29Å; I83-T87 VanDerWaalsContact O-CB 3.27Å; I83-T87 WeakPolarHBondContact O-CB 3.49Å; I83-T87 WeakPolarHBondContact O-CG2 3.45Å; I83-T87 PolarHBondContact O-N 3.44Å; I83-T87 PolarHBondContact O-OG1 3.08Å; I84-T87 PolarHBondContact O-N 2.87Å; T87-F256 WeakPolarHBondContact O-CE2 3.46Å
88I92.2Very high92.7Very high12 Ų1231.2 Ų31.26%0.06218%0.184CC..SBendtrans-138.3163.3-175.572.6174.4000112.9F52 T56 F68 I84 P90 M93F52-I88 HydrophobicContact CE1-CG2 3.68Å; F52-I88 HydrophobicContact CZ-CG2 3.7Å; T56-I88 HydrophobicContact CG2-CD1 3.59Å; F68-I88 HydrophobicContact CZ-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CD1 3.66Å; I84-I88 HydrophobicContact CG2-CG1 4.34Å; I84-I88 HydrophobicContact CG2-CG2 4.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I88-P90 WeakPolarHBondContact O-CD 3.47Å; I88-M93 HydrophobicContact CD1-CE 4.01Å; I88-M93 HydrophobicContact CD1-SD 4.3Å
89Y93.4Very high92.7Very high41 Ų4131.3 Ų31.316%0.16119%0.187CC..  trans-87.3113.3168.2-65-72.8000109.6G91 M93 V206 S207 G210 Y212 F256 V257Y89-G91 VanDerWaalsContact C-N 3.34Å; Y89-G91 PolarHBondContact O-N 3.01Å; Y89-M93 VanDerWaalsContact O-SD 3.4Å; Y89-V206 WeakPolarHBondContact CD1-O 3.44Å; Y89-S207 CarbonylContact C-O 3.57Å; Y89-S207 WeakPolarHBondContact CB-O 3.48Å; Y89-G210 WeakPolarHBondContact OH-CA 3.36Å; Y89-Y212 HydrophobicContact CE1-CD1 4.45Å; Y89-Y212 HydrophobicContact CE1-CE1 4.11Å; Y89-F256 HydrophobicContact CD1-CD1 4.29Å; Y89-F256 HydrophobicContact CD2-CD1 4.45Å; Y89-F256 AromaticContact CE1-CD1 3.65Å; Y89-F256 HydrophobicContact CE1-CD1 3.65Å; Y89-F256 HydrophobicContact CE1-CE1 4.23Å; Y89-F256 AromaticContact CE2-CD1 3.82Å; Y89-F256 HydrophobicContact CE2-CD1 3.82Å; Y89-F256 AromaticContact CE2-CE1 3.68Å; Y89-F256 HydrophobicContact CE2-CE1 3.68Å; Y89-F256 AromaticContact CZ-CD1 3.38Å; Y89-F256 AromaticContact CZ-CE1 3.47Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.47Å; Y89-F256 VanDerWaalsContact OH-CE1 3.29Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.46Å; Y89-V257 HydrophobicContact CE1-CG2 4.18Å
90P93.6Very high92.9Very high29 Ų2930.2 Ų30.219%0.18817%0.174CC..  trans-81.9-6.8-170.332.8-36.9000114.7F68 I88 L92 M93 V94F68-P90 HydrophobicContact CE1-CB 4.12Å; I88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-L92 PolarHBondContact O-N 3.3Å; P90-M93 PolarHBondContact O-N 3.38Å; P90-V94 HydrophobicContact CB-CG2 4.31Å; P90-V94 WeakPolarHBondContact O-CB 3.35Å; P90-V94 VanDerWaalsContact O-CG2 3.31Å; P90-V94 WeakPolarHBondContact O-CG2 3.36Å; P90-V94 PolarHBondContact O-N 3.13Å
91G92.9Very high93.1Very high4 Ų431 Ų314%0.04118%0.175CC..Hα-helixtrans-60-43.2-16800000113.8Y89 T95 S207Y89-G91 VanDerWaalsContact C-N 3.34Å; Y89-G91 PolarHBondContact O-N 3.01Å; G91-T95 WeakPolarHBondContact O-CB 3.47Å; G91-T95 PolarHBondContact O-N 3.15Å; G91-T95 PolarHBondContact O-OG1 3.39Å; G91-S207 VanDerWaalsContact CA-O 3.28Å; G91-S207 WeakPolarHBondContact CA-O 3.25Å; G91-S207 PolarHBondContact N-O 2.87Å
92L94.6Very high93.3Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-62.7-48.6178.1-179.766.9000111.5N53 P90 T95 S96 L119 Y166 N168 I171N53-L92 HydrophobicContact CB-CD2 4.06Å; P90-L92 PolarHBondContact O-N 3.3Å; L92-T95 PolarHBondContact O-N 3.41Å; L92-S96 PolarHBondContact O-N 3.07Å; L92-S96 VanDerWaalsContact O-N 3.09Å; L92-S96 PolarHBondContact O-OG 3.43Å; L92-L119 HydrophobicContact CD1-CD2 3.91Å; L92-Y166 HydrophobicContact CD1-CD2 4.22Å; L92-Y166 HydrophobicContact CD1-CE2 3.62Å; L92-Y166 HydrophobicContact CD2-CD1 4.23Å; L92-Y166 HydrophobicContact CD2-CD2 4.27Å; L92-Y166 HydrophobicContact CD2-CE1 3.92Å; L92-Y166 HydrophobicContact CD2-CE2 3.95Å; L92-Y166 HydrophobicContact CD2-CG 4.4Å; L92-Y166 HydrophobicContact CG-CD2 4.44Å; L92-Y166 HydrophobicContact CG-CE1 4.21Å; L92-Y166 HydrophobicContact CG-CE2 3.7Å; L92-Y166 PolarHBondContact O-OH 3.26Å; L92-N168 WeakPolarHBondContact CB-OD1 3.43Å; L92-N168 WeakPolarHBondContact CD2-OD1 3.46Å; L92-I171 HydrophobicContact CD1-CB 4.44Å; L92-I171 HydrophobicContact CD1-CG2 3.99Å
93M94.9Very high93.4Very high2 Ų236 Ų361%0.0120%0.203CC..Hα-helixtrans-65.2-44.3-177.7-54.581.7179.600111.5N53 T56 T57 L60 F68 I88 Y89 P90 S96 A97N53-M93 HydrophobicContact CB-CE 4.19Å; N53-M93 VanDerWaalsContact OD1-CE 3.29Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; T56-M93 HydrophobicContact CG2-CE 4.42Å; T56-M93 HydrophobicContact CG2-CG 4.28Å; T57-M93 WeakPolarHBondContact OG1-CG 3.23Å; L60-M93 HydrophobicContact CD2-CB 3.97Å; F68-M93 HydrophobicContact CE2-CB 4.48Å; F68-M93 HydrophobicContact CZ-CB 4.27Å; F68-M93 HydrophobicContact CZ-CG 4.4Å; I88-M93 HydrophobicContact CD1-CE 4.01Å; I88-M93 HydrophobicContact CD1-SD 4.3Å; Y89-M93 VanDerWaalsContact O-SD 3.4Å; P90-M93 PolarHBondContact O-N 3.38Å; M93-S96 PolarHBondContact O-N 2.72Å; M93-A97 WeakPolarHBondContact O-CB 3.45Å; M93-A97 PolarHBondContact O-N 2.86Å
94V95.1Very high93.4Very high46 Ų4634.2 Ų34.228%0.27919%0.192SC..Hα-helixtrans-62.4-43.6178.1172.20000110.7L60 F65 P90 S96 A97 V98L60-V94 HydrophobicContact CD2-CG2 4.09Å; F65-V94 HydrophobicContact CD2-CG2 4.34Å; F65-V94 HydrophobicContact CE2-CG2 3.98Å; P90-V94 HydrophobicContact CB-CG2 4.31Å; P90-V94 WeakPolarHBondContact O-CB 3.35Å; P90-V94 VanDerWaalsContact O-CG2 3.31Å; P90-V94 WeakPolarHBondContact O-CG2 3.36Å; P90-V94 PolarHBondContact O-N 3.13Å; V94-S96 PolarHBondContact O-N 3.01Å; V94-A97 PolarHBondContact O-N 3.42Å; V94-V98 HydrophobicContact CG1-CG2 4.26Å; V94-V98 WeakPolarHBondContact O-CB 3.34Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.48Å; V94-V98 PolarHBondContact O-N 3.49Å
95T95.6Very high93.6Very high19 Ų1941.7 Ų41.712%0.11723%0.225CC..Hα-helixtrans-61.4-46.2177.6-64.70000111.9G91 L92 V98 L99 L119 F123 I171 Y204G91-T95 WeakPolarHBondContact O-CB 3.47Å; G91-T95 PolarHBondContact O-N 3.15Å; G91-T95 PolarHBondContact O-OG1 3.39Å; L92-T95 PolarHBondContact O-N 3.41Å; T95-V98 PolarHBondContact O-N 3.34Å; T95-L99 HydrophobicContact CG2-CD1 4.24Å; T95-L99 WeakPolarHBondContact O-CG 3.47Å; T95-L99 PolarHBondContact O-N 2.97Å; T95-L119 HydrophobicContact CG2-CD1 4.24Å; T95-F123 HydrophobicContact CG2-CE2 3.7Å; T95-F123 HydrophobicContact CG2-CZ 3.55Å; T95-I171 HydrophobicContact CG2-CD1 3.83Å; T95-Y204 PolarHBondContact OG1-OH 3.02Å
96S95.4Very high94Very high0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-61.7-44.4176.1-68.30000112.6L92 M93 V94 L99 Y100 L119 Y166L92-S96 PolarHBondContact O-N 3.07Å; L92-S96 VanDerWaalsContact O-N 3.09Å; L92-S96 PolarHBondContact O-OG 3.43Å; M93-S96 PolarHBondContact O-N 2.72Å; V94-S96 PolarHBondContact O-N 3.01Å; S96-L99 PolarHBondContact O-N 3.28Å; S96-Y100 WeakPolarHBondContact O-CB 3.29Å; S96-Y100 PolarHBondContact O-N 2.8Å; S96-L119 WeakPolarHBondContact OG-CD1 3.34Å; S96-Y166 VanDerWaalsContact CB-OH 3.25Å; S96-Y166 WeakPolarHBondContact CB-OH 3.33Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.28Å; S96-Y166 VanDerWaalsContact OG-CZ 3.3Å; S96-Y166 PolarHBondContact OG-OH 2.89Å
97A95.1Very high94.2Very high6 Ų654.4 Ų54.45%0.0527%0.272CS..Hα-helixtrans-63.8-43.1178.800000111.3L60 M93 V94 Y100 H101L60-A97 HydrophobicContact CD2-CB 3.68Å; L60-A97 HydrophobicContact CG-CB 3.87Å; M93-A97 WeakPolarHBondContact O-CB 3.45Å; M93-A97 PolarHBondContact O-N 2.86Å; V94-A97 PolarHBondContact O-N 3.42Å; A97-Y100 WeakPolarHBondContact O-CB 3.3Å; A97-Y100 PolarHBondContact O-N 3.41Å; A97-H101 PolarHBondContact O-N 3.44Å; A97-H101 PolarHBondContact O-ND1 2.83Å
98V95.1Very high94.4Very high81 Ų8156.3 Ų56.349%0.49128%0.279SS..Hα-helixtrans-61.6-46.1176.3169.80000110.8V94 T95 Y100 H101 V102V94-V98 HydrophobicContact CG1-CG2 4.26Å; V94-V98 WeakPolarHBondContact O-CB 3.34Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.48Å; V94-V98 PolarHBondContact O-N 3.49Å; T95-V98 PolarHBondContact O-N 3.34Å; V98-Y100 VanDerWaalsContact C-N 3.32Å; V98-Y100 PolarHBondContact O-N 3.15Å; V98-H101 PolarHBondContact O-N 2.98Å; V98-V102 HydrophobicContact CG1-CG2 4.29Å; V98-V102 WeakPolarHBondContact O-CB 3.33Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 3.33Å
99L94.5Very high94.5Very high56 Ų5661.2 Ų61.229%0.29331%0.31SS..Hα-helixtrans-59.7-42.9176.2-72.2174.1000111.9T95 S96 V102 L103 V115 L119 L122 F123T95-L99 HydrophobicContact CG2-CD1 4.24Å; T95-L99 WeakPolarHBondContact O-CG 3.47Å; T95-L99 PolarHBondContact O-N 2.97Å; S96-L99 PolarHBondContact O-N 3.28Å; L99-V102 PolarHBondContact O-N 3.4Å; L99-L103 WeakPolarHBondContact O-CB 3.4Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.18Å; L99-L103 PolarHBondContact O-N 2.91Å; L99-V115 HydrophobicContact CB-CG1 4.29Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å; L99-L122 HydrophobicContact CD1-CD2 4.32Å; L99-F123 HydrophobicContact CD1-CE2 4.46Å
100Y95.4Very high94.5Very high53 Ų5362.1 Ų62.121%0.20832%0.317CS..Hα-helixtrans-59.1-50.4175.6175.2-95.2000111.9A61 S96 A97 V98 V102 L103 H104 I110 I112 V115A61-Y100 HydrophobicContact CB-CD1 4.34Å; A61-Y100 HydrophobicContact CB-CE1 4.4Å; S96-Y100 WeakPolarHBondContact O-CB 3.29Å; S96-Y100 PolarHBondContact O-N 2.8Å; A97-Y100 WeakPolarHBondContact O-CB 3.3Å; A97-Y100 PolarHBondContact O-N 3.41Å; V98-Y100 VanDerWaalsContact C-N 3.32Å; V98-Y100 PolarHBondContact O-N 3.15Å; Y100-V102 PolarHBondContact O-N 3.29Å; Y100-L103 PolarHBondContact O-N 3.37Å; Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CD2-NE2 3.83Å; Y100-H104 AromaticContact CE1-CD2 3.76Å; Y100-H104 AromaticContact CE1-NE2 3.99Å; Y100-H104 AromaticContact CE2-CD2 3.44Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.44Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.45Å; Y100-H104 AromaticContact CE2-NE2 3.11Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.22Å; Y100-H104 AromaticContact CZ-CD2 3.44Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.44Å; Y100-H104 AromaticContact CZ-CE1 3.96Å; Y100-H104 AromaticContact CZ-NE2 3.18Å; Y100-H104 PolarHBondContact O-CD2 2.9Å; Y100-H104 VanDerWaalsContact O-CD2 3.29Å; Y100-H104 PolarHBondContact O-N 3.09Å; Y100-H104 PolarHBondContact OH-NE2 3.22Å; Y100-I110 VanDerWaalsContact CE2-O 3.24Å; Y100-I110 WeakPolarHBondContact CE2-O 3.44Å; Y100-I112 HydrophobicContact CD2-CB 4.13Å; Y100-I112 HydrophobicContact CD2-CD1 3.8Å; Y100-I112 HydrophobicContact CE2-CB 4.11Å; Y100-I112 HydrophobicContact CG-CD1 3.83Å; Y100-V115 HydrophobicContact CD2-CG2 4.32Å
101H94.3Very high94.5Very high99 Ų9964.6 Ų64.646%0.45833%0.328SS..Hα-helixtrans-65.4-37.8179.8-72.386000112.6A97 V98 H104 F105A97-H101 PolarHBondContact O-N 3.44Å; A97-H101 PolarHBondContact O-ND1 2.83Å; V98-H101 PolarHBondContact O-N 2.98Å; H101-H104 PolarHBondContact O-N 3.18Å; H101-F105 WeakPolarHBondContact O-CB 3.44Å; H101-F105 PolarHBondContact O-N 3.47Å
102V95.6Very high94.5Very high74 Ų7464.7 Ų64.745%0.44833%0.328SS..Hα-helixtrans-64.1-43.6175.6170.90000110.9V98 L99 Y100 F105 F106V98-V102 HydrophobicContact CG1-CG2 4.29Å; V98-V102 WeakPolarHBondContact O-CB 3.33Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 3.33Å; L99-V102 PolarHBondContact O-N 3.4Å; Y100-V102 PolarHBondContact O-N 3.29Å; V102-F105 WeakPolarHBondContact O-CB 3.48Å; V102-F105 PolarHBondContact O-N 2.78Å; V102-F106 HydrophobicContact CG1-CD2 4.15Å; V102-F106 HydrophobicContact CG1-CE2 3.86Å; V102-F106 WeakPolarHBondContact O-CD2 3.36Å; V102-F106 PolarHBondContact O-N 3.46Å
103L93.9Very high94.4Very high51 Ų5169.4 Ų69.427%0.26735%0.346SS..Hα-helixtrans-64.2-42.6177-74.8162.7000112.1L99 Y100 F105 F106 H107 I108 I110 V115L99-L103 WeakPolarHBondContact O-CB 3.4Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.18Å; L99-L103 PolarHBondContact O-N 2.91Å; Y100-L103 PolarHBondContact O-N 3.37Å; L103-F105 VanDerWaalsContact C-N 3.35Å; L103-F106 CarbonylContact O-C 3.59Å; L103-F106 PolarHBondContact O-N 3.01Å; L103-H107 PolarHBondContact O-N 3.21Å; L103-I108 HydrophobicContact CD2-CB 4.33Å; L103-I108 HydrophobicContact CD2-CD1 4.3Å; L103-I108 HydrophobicContact CD2-CG2 4.36Å; L103-I108 PolarHBondContact O-N 3.39Å; L103-I110 HydrophobicContact CD1-CD1 4.34Å; L103-V115 HydrophobicContact CD1-CG2 4.36Å
104H93.3Very high94.4Very high63 Ų6371.6 Ų71.629%0.29236%0.357SS..Hα-helixtrans-66.1-34.3175.6-87.8-90.9000113Y100 H101 F106 H107 I110Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CD2-NE2 3.83Å; Y100-H104 AromaticContact CE1-CD2 3.76Å; Y100-H104 AromaticContact CE1-NE2 3.99Å; Y100-H104 AromaticContact CE2-CD2 3.44Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.44Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.45Å; Y100-H104 AromaticContact CE2-NE2 3.11Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.22Å; Y100-H104 AromaticContact CZ-CD2 3.44Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.44Å; Y100-H104 AromaticContact CZ-CE1 3.96Å; Y100-H104 AromaticContact CZ-NE2 3.18Å; Y100-H104 PolarHBondContact O-CD2 2.9Å; Y100-H104 VanDerWaalsContact O-CD2 3.29Å; Y100-H104 PolarHBondContact O-N 3.09Å; Y100-H104 PolarHBondContact OH-NE2 3.22Å; H101-H104 PolarHBondContact O-N 3.18Å; H104-F106 VanDerWaalsContact C-N 3.25Å; H104-F106 PolarHBondContact O-N 3.38Å; H104-H107 WeakPolarHBondContact O-CA 3.46Å; H104-H107 PolarHBondContact O-N 2.94Å; H104-I110 PolarHBondContact NE2-O 3.36Å; H104-I110 VanDerWaalsContact NE2-O 3.15Å
105F95Very high94.3Very high158 Ų15870 Ų7069%0.69335%0.348SS*.Hα-helixtrans-59.3-37.3173179.8-98.2000112.2H101 V102 L103 H107H101-F105 WeakPolarHBondContact O-CB 3.44Å; H101-F105 PolarHBondContact O-N 3.47Å; V102-F105 WeakPolarHBondContact O-CB 3.48Å; V102-F105 PolarHBondContact O-N 2.78Å; L103-F105 VanDerWaalsContact C-N 3.35Å; F105-H107 PolarHBondContact O-N 2.76Å; F105-H107 PolarHBondContact O-ND1 3.32Å
106F95.3Very high94.3Very high138 Ų13869.1 Ų69.161%0.60534%0.343SS*.THydrogen-bonded Turntrans-83.810.9173.7-65.6-66.9000114.1V102 L103 H104 I108V102-F106 HydrophobicContact CG1-CD2 4.15Å; V102-F106 HydrophobicContact CG1-CE2 3.86Å; V102-F106 WeakPolarHBondContact O-CD2 3.36Å; V102-F106 PolarHBondContact O-N 3.46Å; L103-F106 CarbonylContact O-C 3.59Å; L103-F106 PolarHBondContact O-N 3.01Å; H104-F106 VanDerWaalsContact C-N 3.25Å; H104-F106 PolarHBondContact O-N 3.38Å; F106-I108 HydrophobicContact CB-CD1 4.44Å; F106-I108 HydrophobicContact CB-CG1 4.34Å; F106-I108 PolarHBondContact O-N 3.45Å
107H93.4Very high94.2Very high165 Ų16569.2 Ų69.276%0.76434%0.343SS*.THydrogen-bonded Turntrans59.624.3-177.6-6071.7000114.3L103 H104 F105 T109L103-H107 PolarHBondContact O-N 3.21Å; H104-H107 WeakPolarHBondContact O-CA 3.46Å; H104-H107 PolarHBondContact O-N 2.94Å; F105-H107 PolarHBondContact O-N 2.76Å; F105-H107 PolarHBondContact O-ND1 3.32Å; H107-T109 PolarHBondContact O-N 3.16Å
108I94.4Very high94.2Very high86 Ų8672.2 Ų72.244%0.44136%0.355SS..  trans-90.884.8170.9-53.2177.2000107.1L103 F106 I110L103-I108 HydrophobicContact CD2-CB 4.33Å; L103-I108 HydrophobicContact CD2-CD1 4.3Å; L103-I108 HydrophobicContact CD2-CG2 4.36Å; L103-I108 PolarHBondContact O-N 3.39Å; F106-I108 HydrophobicContact CB-CD1 4.44Å; F106-I108 HydrophobicContact CB-CG1 4.34Å; F106-I108 PolarHBondContact O-N 3.45Å; I108-I110 HydrophobicContact CG2-CD1 3.79Å; I108-I110 HydrophobicContact CG2-CG1 4.03Å; I108-I110 PolarHBondContact O-N 2.99Å
109T92.9Very high94.2Very high115 Ų11568.6 Ų68.671%0.70633%0.333SS*.  trans-7588.6-173.157.50000111.3H107H107-T109 PolarHBondContact O-N 3.16Å
110I93.4Very high94.1Very high60 Ų6066.1 Ų66.131%0.30832%0.32SS..  trans-104.8138.1175-64.8170.3000108.8Y100 L103 H104 I108 N114 V115Y100-I110 VanDerWaalsContact CE2-O 3.24Å; Y100-I110 WeakPolarHBondContact CE2-O 3.44Å; L103-I110 HydrophobicContact CD1-CD1 4.34Å; H104-I110 PolarHBondContact NE2-O 3.36Å; H104-I110 VanDerWaalsContact NE2-O 3.15Å; I108-I110 HydrophobicContact CG2-CD1 3.79Å; I108-I110 HydrophobicContact CG2-CG1 4.03Å; I108-I110 PolarHBondContact O-N 2.99Å; I110-N114 HydrophobicContact CG2-CB 3.7Å; I110-V115 HydrophobicContact CG2-CG2 3.99Å
111D93.3Very high94.1Very high80 Ų8063.6 Ų63.643%0.42831%0.31SS..  trans-66.2142.7173.4-176.113.3000111.3R113 N114 V115D111-R113 PolarHBondContact O-N 3.5Å; D111-R113 VanDerWaalsContact O-N 3.16Å; D111-N114 PolarHBondContact O-N 3.48Å; D111-V115 PolarHBondContact O-N 3.46Å
112I93.2Very high94.2Very high7 Ų761.7 Ų61.74%0.03630%0.304CS..Hα-helixtrans-56.9-34-178.2-170.962.5000111.8Y54 T57 R58 A61 Y100 N114 V115 C116Y54-I112 HydrophobicContact CE2-CG2 4.27Å; T57-I112 HydrophobicContact CG2-CD1 3.97Å; T57-I112 HydrophobicContact CG2-CG1 4.12Å; R58-I112 HydrophobicContact CG-CG2 4.5Å; A61-I112 HydrophobicContact CB-CD1 4.21Å; A61-I112 HydrophobicContact CB-CG1 4.31Å; Y100-I112 HydrophobicContact CD2-CB 4.13Å; Y100-I112 HydrophobicContact CD2-CD1 3.8Å; Y100-I112 HydrophobicContact CE2-CB 4.11Å; Y100-I112 HydrophobicContact CG-CD1 3.83Å; I112-N114 VanDerWaalsContact C-N 3.33Å; I112-N114 PolarHBondContact O-N 3.36Å; I112-V115 WeakPolarHBondContact O-CB 3.36Å; I112-V115 PolarHBondContact O-N 3.39Å; I112-C116 PolarHBondContact O-N 2.99Å; I112-C116 PolarHBondContact O-SG 3.29Å; I112-C116 VanDerWaalsContact O-SG 3.36Å
113R93.2Very high94.2Very high99 Ų9958.9 Ų58.937%0.37429%0.285SS..Hα-helixtrans-57.1-44.9175.3-174.8-176.162.6-176.2-4.4112.1Y54 D111 V115 C116 V117Y54-R113 HydrophobicContact CE2-CB 3.88Å; Y54-R113 HydrophobicContact CE2-CG 4.24Å; D111-R113 PolarHBondContact O-N 3.5Å; D111-R113 VanDerWaalsContact O-N 3.16Å; R113-V115 VanDerWaalsContact C-N 3.34Å; R113-C116 PolarHBondContact O-N 3.13Å; R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.36Å; R113-V117 PolarHBondContact O-N 3.08Å
114N93.9Very high94.3Very high47 Ų4756.5 Ų56.525%0.25127%0.273SS..Hα-helixtrans-68.4-37.1-179.4-68-16.9000111I110 D111 I112 C116 V117 F118I110-N114 HydrophobicContact CG2-CB 3.7Å; D111-N114 PolarHBondContact O-N 3.48Å; I112-N114 VanDerWaalsContact C-N 3.33Å; I112-N114 PolarHBondContact O-N 3.36Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.02Å; N114-V117 PolarHBondContact O-N 2.98Å; N114-F118 HydrophobicContact CB-CD2 4.48Å; N114-F118 WeakPolarHBondContact O-CD2 3.37Å; N114-F118 PolarHBondContact O-N 3.3Å; N114-F118 VanDerWaalsContact O-N 3.08Å
115V94.6Very high94.4Very high14 Ų1454.3 Ų54.39%0.08527%0.265CS..Hα-helixtrans-59.1-47.4173179.70000110.4L99 Y100 L103 I110 D111 I112 R113 F118 L119L99-V115 HydrophobicContact CB-CG1 4.29Å; Y100-V115 HydrophobicContact CD2-CG2 4.32Å; L103-V115 HydrophobicContact CD1-CG2 4.36Å; I110-V115 HydrophobicContact CG2-CG2 3.99Å; D111-V115 PolarHBondContact O-N 3.46Å; I112-V115 WeakPolarHBondContact O-CB 3.36Å; I112-V115 PolarHBondContact O-N 3.39Å; R113-V115 VanDerWaalsContact C-N 3.34Å; V115-F118 PolarHBondContact O-N 2.95Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 PolarHBondContact O-N 2.85Å; V115-L119 VanDerWaalsContact O-N 3.08Å
116C94.4Very high94.5Very high0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-62-43.2177.4-65.90000112.8Y54 I112 R113 N114 F118 Y166Y54-C116 HydrophobicContact CD2-CB 4.31Å; I112-C116 PolarHBondContact O-N 2.99Å; I112-C116 PolarHBondContact O-SG 3.29Å; I112-C116 VanDerWaalsContact O-SG 3.36Å; R113-C116 PolarHBondContact O-N 3.13Å; N114-C116 VanDerWaalsContact C-N 3.35Å; N114-C116 PolarHBondContact O-N 3.02Å; C116-F118 PolarHBondContact O-N 3.32Å; C116-Y166 HydrophobicContact CB-CD1 4.07Å; C116-Y166 HydrophobicContact CB-CD2 3.82Å; C116-Y166 HydrophobicContact CB-CE1 4.27Å; C116-Y166 HydrophobicContact CB-CE2 4.05Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.25Å; C116-Y166 WeakPolarHBondContact O-CD2 3.39Å
117V93.8Very high94.5Very high1 Ų144.4 Ų44.41%0.00622%0.222CC..Hα-helixtrans-63.6-40.3-179.5167.70000112.2V38 I45 R113 N114 G164V38-V117 HydrophobicContact CG2-CG1 4.07Å; I45-V117 HydrophobicContact CG1-CG2 4.22Å; R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.36Å; R113-V117 PolarHBondContact O-N 3.08Å; N114-V117 PolarHBondContact O-N 2.98Å; V117-G164 PolarHBondContact O-N 3.38Å
118F95.3Very high94.7Very high70 Ų7036.7 Ų36.731%0.30719%0.186SC..Hα-helixtrans-95.91.3-175.6-64.4-64.1000114.7F31 L35 V38 N114 V115 C116 P121 L122F31-F118 HydrophobicContact CZ-CD1 4.46Å; L35-F118 HydrophobicContact CD2-CD1 4.06Å; L35-F118 HydrophobicContact CD2-CE1 3.82Å; V38-F118 HydrophobicContact CG1-CE1 4.35Å; V38-F118 HydrophobicContact CG1-CZ 4.17Å; V38-F118 HydrophobicContact CG2-CE1 4.48Å; N114-F118 HydrophobicContact CB-CD2 4.48Å; N114-F118 WeakPolarHBondContact O-CD2 3.37Å; N114-F118 PolarHBondContact O-N 3.3Å; N114-F118 VanDerWaalsContact O-N 3.08Å; V115-F118 PolarHBondContact O-N 2.95Å; C116-F118 PolarHBondContact O-N 3.32Å; F118-P121 WeakPolarHBondContact O-CD 3.34Å; F118-L122 PolarHBondContact O-N 3.46Å
119L94.8Very high94.8Very high5 Ų535.6 Ų35.63%0.02618%0.18CC..Hα-helixtrans-65-47179.8-172.1145.8000112.4L92 T95 S96 L99 V115 L122 F123 Y166L92-L119 HydrophobicContact CD1-CD2 3.91Å; T95-L119 HydrophobicContact CG2-CD1 4.24Å; S96-L119 WeakPolarHBondContact OG-CD1 3.34Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 PolarHBondContact O-N 2.85Å; V115-L119 VanDerWaalsContact O-N 3.08Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.36Å; L119-F123 HydrophobicContact CD1-CE2 4.23Å; L119-F123 HydrophobicContact CD2-CD2 3.52Å; L119-F123 HydrophobicContact CD2-CE2 3.94Å; L119-F123 HydrophobicContact CD2-CG 4.36Å; L119-F123 HydrophobicContact CG-CD2 3.75Å; L119-F123 HydrophobicContact CG-CE2 3.92Å; L119-F123 WeakPolarHBondContact O-CD2 3.31Å; L119-F123 PolarHBondContact O-N 3.08Å; L119-Y166 HydrophobicContact CB-CD2 4.49Å; L119-Y166 HydrophobicContact CB-CE2 4.43Å; L119-Y166 HydrophobicContact CD1-CE2 4.24Å
120A93.8Very high95Very high3 Ų331 Ų313%0.02515%0.152CC..Hα-helixtrans-61.7-45.9-17800000113.2L122 F123 S124A120-L122 VanDerWaalsContact C-N 3.33Å; A120-L122 PolarHBondContact O-N 3.08Å; A120-F123 PolarHBondContact O-N 3.47Å; A120-S124 WeakPolarHBondContact O-CB 3.23Å; A120-S124 PolarHBondContact O-N 3.15Å
121P95.1Very high95.1Very high0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-57.2-40.4171.5-2733.6000114.2F31 R34 F118 S124 S125 A163F31-P121 HydrophobicContact CD2-CB 3.6Å; F31-P121 HydrophobicContact CE2-CB 3.64Å; F31-P121 HydrophobicContact CG-CB 4.18Å; F31-P121 HydrophobicContact CZ-CB 4.26Å; R34-P121 HydrophobicContact CB-CB 4.28Å; R34-P121 HydrophobicContact CB-CG 4.03Å; F118-P121 WeakPolarHBondContact O-CD 3.34Å; P121-S124 PolarHBondContact O-N 3.26Å; P121-S125 PolarHBondContact O-N 3Å; P121-S125 VanDerWaalsContact O-N 3.16Å; P121-A163 HydrophobicContact CG-CB 3.75Å
122L95.9Very high95.3Very high60 Ų6024.7 Ų24.731%0.31412%0.119SC..Hα-helixtrans-62.9-49.6177.617865000111.2L99 F118 L119 A120 S124 S125 F126L99-L122 HydrophobicContact CD1-CD2 4.32Å; F118-L122 PolarHBondContact O-N 3.46Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.36Å; A120-L122 VanDerWaalsContact C-N 3.33Å; A120-L122 PolarHBondContact O-N 3.08Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.47Å; L122-S125 WeakPolarHBondContact O-CB 3.48Å; L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 VanDerWaalsContact O-N 3.13Å; L122-F126 HydrophobicContact CD1-CE2 4.02Å; L122-F126 HydrophobicContact CD1-CZ 3.94Å; L122-F126 HydrophobicContact CD2-CE2 4.34Å; L122-F126 HydrophobicContact CG-CD2 4.48Å; L122-F126 HydrophobicContact CG-CE2 3.83Å; L122-F126 HydrophobicContact CG-CZ 4.27Å; L122-F126 PolarHBondContact O-N 3.2Å
123F95.9Very high95.5Very high14 Ų1427.8 Ų27.86%0.06113%0.133CC..Hα-helixtrans-66.3-33.1178.8-88.8-89.2000112.7T95 L99 L119 A120 S125 F126 T127 I171 F174T95-F123 HydrophobicContact CG2-CE2 3.7Å; T95-F123 HydrophobicContact CG2-CZ 3.55Å; L99-F123 HydrophobicContact CD1-CE2 4.46Å; L119-F123 HydrophobicContact CD1-CE2 4.23Å; L119-F123 HydrophobicContact CD2-CD2 3.52Å; L119-F123 HydrophobicContact CD2-CE2 3.94Å; L119-F123 HydrophobicContact CD2-CG 4.36Å; L119-F123 HydrophobicContact CG-CD2 3.75Å; L119-F123 HydrophobicContact CG-CE2 3.92Å; L119-F123 WeakPolarHBondContact O-CD2 3.31Å; L119-F123 PolarHBondContact O-N 3.08Å; A120-F123 PolarHBondContact O-N 3.47Å; F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 3.2Å; F123-F126 HydrophobicContact CD1-CD2 4.38Å; F123-F126 CarbonylContact O-C 3.58Å; F123-F126 PolarHBondContact O-N 3.36Å; F123-F126 VanDerWaalsContact O-N 3.15Å; F123-T127 PolarHBondContact O-N 3.39Å; F123-T127 PolarHBondContact O-OG1 2.97Å; F123-I171 HydrophobicContact CD1-CD1 4.31Å; F123-I171 HydrophobicContact CD1-CG1 3.76Å; F123-I171 HydrophobicContact CE1-CD1 3.84Å; F123-I171 HydrophobicContact CE1-CG1 3.7Å; F123-I171 HydrophobicContact CE2-CD1 4.1Å; F123-I171 HydrophobicContact CG-CG1 4.21Å; F123-I171 HydrophobicContact CZ-CD1 3.74Å; F123-I171 HydrophobicContact CZ-CG1 4.1Å; F123-F174 HydrophobicContact CD1-CB 4.04Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.28Å; F123-F174 AromaticContact CD1-CG 3.84Å; F123-F174 HydrophobicContact CD1-CG 3.84Å; F123-F174 AromaticContact CE1-CD1 3.72Å; F123-F174 HydrophobicContact CE1-CD1 3.72Å; F123-F174 AromaticContact CE1-CE1 3.96Å; F123-F174 HydrophobicContact CE1-CE1 3.96Å; F123-F174 HydrophobicContact CE1-CG 4.34Å
124S95Very high95.6Very high1 Ų123.2 Ų23.21%0.00712%0.116CC..Hα-helixtrans-61.2-37.8171.8-178.70000112.7S30 R34 A120 P121 L122 F126 T127 A128 Y157S30-S124 PolarHBondContact OG-O 3.43Å; S30-S124 PolarHBondContact OG-OG 3.44Å; R34-S124 PolarHBondContact NE-OG 3.39Å; R34-S124 VanDerWaalsContact NE-OG 3.16Å; R34-S124 PolarHBondContact NH1-OG 2.95Å; R34-S124 PolarHBondContact NH2-OG 2.82Å; A120-S124 WeakPolarHBondContact O-CB 3.23Å; A120-S124 PolarHBondContact O-N 3.15Å; P121-S124 PolarHBondContact O-N 3.26Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.47Å; S124-F126 VanDerWaalsContact C-N 3.31Å; S124-F126 PolarHBondContact O-N 3.12Å; S124-T127 WeakPolarHBondContact O-CB 3.47Å; S124-T127 PolarHBondContact O-N 2.92Å; S124-A128 PolarHBondContact O-N 2.91Å; S124-A128 VanDerWaalsContact O-N 3.1Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.35Å
125S95.9Very high95.7Very high18 Ų1821 Ų2113%0.12610%0.104CC..Hα-helixtrans-60.7-42.9174.4-157.70000111.1A27 P121 L122 F123 A128 I129A27-S125 WeakPolarHBondContact CA-OG 3.45Å; A27-S125 VanDerWaalsContact CB-OG 3.26Å; A27-S125 WeakPolarHBondContact CB-OG 3.43Å; A27-S125 PolarHBondContact O-OG 3.13Å; P121-S125 PolarHBondContact O-N 3Å; P121-S125 VanDerWaalsContact O-N 3.16Å; L122-S125 WeakPolarHBondContact O-CB 3.48Å; L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 VanDerWaalsContact O-N 3.13Å; F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 3.2Å; S125-A128 PolarHBondContact O-N 3.35Å; S125-I129 PolarHBondContact O-N 3.01Å
126F96.4Very high95.8Very high87 Ų8724.7 Ų24.738%0.38212%0.119SC..Hα-helixtrans-66.8-37173.2-61-39.2000112.9L122 F123 S124 A128 I129 V130 F174L122-F126 HydrophobicContact CD1-CE2 4.02Å; L122-F126 HydrophobicContact CD1-CZ 3.94Å; L122-F126 HydrophobicContact CD2-CE2 4.34Å; L122-F126 HydrophobicContact CG-CD2 4.48Å; L122-F126 HydrophobicContact CG-CE2 3.83Å; L122-F126 HydrophobicContact CG-CZ 4.27Å; L122-F126 PolarHBondContact O-N 3.2Å; F123-F126 HydrophobicContact CD1-CD2 4.38Å; F123-F126 CarbonylContact O-C 3.58Å; F123-F126 PolarHBondContact O-N 3.36Å; F123-F126 VanDerWaalsContact O-N 3.15Å; S124-F126 VanDerWaalsContact C-N 3.31Å; S124-F126 PolarHBondContact O-N 3.12Å; F126-A128 VanDerWaalsContact C-N 3.29Å; F126-A128 PolarHBondContact O-N 2.93Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.44Å; F126-I129 VanDerWaalsContact O-N 3.12Å; F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.18Å; F126-F174 HydrophobicContact CB-CD2 3.74Å; F126-F174 HydrophobicContact CB-CE2 3.64Å
127T96.7Very high95.8Very high1 Ų126.5 Ų26.51%0.00613%0.127CC..Hα-helixtrans-56.9-41.5175-59.20000111.4F123 S124 I129 V130 T131 I151 Y157 I173 F174 L177F123-T127 PolarHBondContact O-N 3.39Å; F123-T127 PolarHBondContact O-OG1 2.97Å; S124-T127 WeakPolarHBondContact O-CB 3.47Å; S124-T127 PolarHBondContact O-N 2.92Å; T127-I129 VanDerWaalsContact C-N 3.35Å; T127-I129 PolarHBondContact O-N 3.18Å; T127-V130 PolarHBondContact O-N 3.1Å; T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 3.41Å; T127-T131 PolarHBondContact O-OG1 3.31Å; T127-I151 HydrophobicContact CG2-CD1 3.91Å; T127-Y157 HydrophobicContact CG2-CE1 3.96Å; T127-Y157 PolarHBondContact OG1-OH 2.59Å; T127-Y157 VanDerWaalsContact OG1-OH 3.14Å; T127-I173 HydrophobicContact CG2-CG2 4.01Å; T127-F174 WeakPolarHBondContact OG1-CB 2.99Å; T127-L177 HydrophobicContact CG2-CD1 3.68Å
128A96.2Very high95.7Very high3 Ų326.8 Ų26.83%0.02513%0.129CC..Hα-helixtrans-61.4-41.9176.200000112.2S124 S125 F126 T131 Y132 A148 I151S124-A128 PolarHBondContact O-N 2.91Å; S124-A128 VanDerWaalsContact O-N 3.1Å; S125-A128 PolarHBondContact O-N 3.35Å; F126-A128 VanDerWaalsContact C-N 3.29Å; F126-A128 PolarHBondContact O-N 2.93Å; A128-T131 PolarHBondContact O-N 3.16Å; A128-Y132 PolarHBondContact O-N 2.72Å; A128-Y132 VanDerWaalsContact O-N 3.08Å; A128-A148 WeakPolarHBondContact O-CB 3.39Å; A128-I151 HydrophobicContact CB-CG2 4.28Å
129I96.4Very high95.4Very high62 Ų6226.3 Ų26.332%0.31813%0.127SC..Hα-helixtrans-67.4-44.7178.4-60.1170.3000111.1S125 F126 T127 T131 Y132 H133S125-I129 PolarHBondContact O-N 3.01Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.44Å; F126-I129 VanDerWaalsContact O-N 3.12Å; T127-I129 VanDerWaalsContact C-N 3.35Å; T127-I129 PolarHBondContact O-N 3.18Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.16Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; I129-H133 PolarHBondContact O-CD2 3.16Å; I129-H133 VanDerWaalsContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 2.93Å
130V96.9Very high95.2Very high18 Ų1828.7 Ų28.711%0.10914%0.139CC..Hα-helixtrans-64-39.7177.5175.60000110.9F126 T127 Y132 H133 L134 F174 L177 L178F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.18Å; T127-V130 PolarHBondContact O-N 3.1Å; V130-Y132 VanDerWaalsContact C-N 3.34Å; V130-Y132 PolarHBondContact O-N 3.2Å; V130-H133 PolarHBondContact O-N 3.08Å; V130-L134 WeakPolarHBondContact O-CB 3.31Å; V130-L134 PolarHBondContact O-N 3.44Å; V130-F174 HydrophobicContact CG2-CD2 3.92Å; V130-F174 HydrophobicContact CG2-CE2 3.49Å; V130-F174 VanDerWaalsContact CG2-CE2 3.49Å; V130-F174 HydrophobicContact CG2-CZ 4.49Å; V130-L177 HydrophobicContact CG1-CB 3.78Å; V130-L178 HydrophobicContact CG1-CB 4.4Å; V130-L178 HydrophobicContact CG2-CD1 4.48Å
131T97.1Very high95.2Very high0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-60-43.9175.8-56.10000111.3T127 A128 I129 H133 L134 T135 A147 I151 L177 I416T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 3.41Å; T127-T131 PolarHBondContact O-OG1 3.31Å; A128-T131 PolarHBondContact O-N 3.16Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.16Å; T131-H133 VanDerWaalsContact C-N 3.34Å; T131-H133 PolarHBondContact O-N 3.44Å; T131-L134 PolarHBondContact O-N 3.27Å; T131-T135 PolarHBondContact O-N 2.71Å; T131-T135 PolarHBondContact O-OG1 2.9Å; T131-T135 VanDerWaalsContact O-OG1 3.05Å; T131-A147 HydrophobicContact CG2-CB 4.06Å; T131-I151 HydrophobicContact CG2-CD1 4.32Å; T131-I151 HydrophobicContact CG2-CG2 4.12Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.5Å; T131-L177 VanDerWaalsContact OG1-CD1 3.23Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.11Å; T131-I416 HydrophobicContact CG2-CG1 4.01Å
132Y97.3Very high95.2Very high9 Ų931.2 Ų31.24%0.03516%0.164CC..Hα-helixtrans-53.7-50.1173.5164.7-99.8000111.9L23 A128 I129 V130 K136 G144 L145L23-Y132 HydrophobicContact CD1-CD1 3.98Å; L23-Y132 HydrophobicContact CD1-CD2 4.47Å; L23-Y132 HydrophobicContact CD1-CE1 4.04Å; L23-Y132 HydrophobicContact CD1-CG 4.21Å; L23-Y132 HydrophobicContact CD2-CD1 4.29Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.74Å; A128-Y132 PolarHBondContact O-N 2.72Å; A128-Y132 VanDerWaalsContact O-N 3.08Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; V130-Y132 VanDerWaalsContact C-N 3.34Å; V130-Y132 PolarHBondContact O-N 3.2Å; Y132-K136 HydrophobicContact CE1-CD 4.14Å; Y132-K136 WeakPolarHBondContact O-CB 3.41Å; Y132-K136 PolarHBondContact O-N 3.05Å; Y132-G144 VanDerWaalsContact CD2-C 3.45Å; Y132-L145 HydrophobicContact CD2-CD2 3.88Å; Y132-L145 HydrophobicContact CD2-CG 4.21Å; Y132-L145 HydrophobicContact CE2-CD2 3.72Å; Y132-L145 HydrophobicContact CE2-CG 3.9Å
133H96.4Very high95.1Very high72 Ų7228.4 Ų28.433%0.33315%0.149SC..Hα-helixtrans-66.4-39.1-178.5-78.8-71.6000112.7I129 V130 T131 E137 Y181I129-H133 PolarHBondContact O-CD2 3.16Å; I129-H133 VanDerWaalsContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 2.93Å; V130-H133 PolarHBondContact O-N 3.08Å; T131-H133 VanDerWaalsContact C-N 3.34Å; T131-H133 PolarHBondContact O-N 3.44Å; H133-E137 PolarHBondContact O-N 3.47Å; H133-Y181 HydrophobicContact CB-CD2 4.13Å; H133-Y181 HydrophobicContact CB-CE2 3.88Å
134L96.3Very high95.1Very high2 Ų227.7 Ų27.71%0.0115%0.146CC..Hα-helixtrans-62.8-51.1175.8-171.1161.1000111.2V130 T131 K136 E137 L138 L177 I184 I416V130-L134 WeakPolarHBondContact O-CB 3.31Å; V130-L134 PolarHBondContact O-N 3.44Å; T131-L134 PolarHBondContact O-N 3.27Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.16Å; L134-E137 WeakPolarHBondContact O-CB 3.49Å; L134-E137 PolarHBondContact O-N 2.93Å; L134-E137 VanDerWaalsContact O-N 3.16Å; L134-L138 HydrophobicContact CD2-CD1 4.01Å; L134-L138 PolarHBondContact O-N 3.3Å; L134-L177 HydrophobicContact CD1-CD2 4.22Å; L134-I184 HydrophobicContact CD2-CD1 4.21Å; L134-I184 HydrophobicContact CG-CD1 4.18Å; L134-I416 HydrophobicContact CD1-CD1 4.41Å; L134-I416 HydrophobicContact CD2-CD1 3.67Å; L134-I416 HydrophobicContact CD2-CG1 4.35Å; L134-I416 HydrophobicContact CD2-CG2 4.42Å
135T95.7Very high95.2Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-68.2-33.4-179.4-51.30000112.3T131 E137 L138 K139 A143 A147 I416 I420T131-T135 PolarHBondContact O-N 2.71Å; T131-T135 PolarHBondContact O-OG1 2.9Å; T131-T135 VanDerWaalsContact O-OG1 3.05Å; T135-E137 PolarHBondContact O-N 2.95Å; T135-L138 PolarHBondContact O-N 3.44Å; T135-K139 PolarHBondContact O-N 3.25Å; T135-A143 HydrophobicContact CG2-CB 3.92Å; T135-A147 HydrophobicContact CG2-CB 4.04Å; T135-A147 WeakPolarHBondContact OG1-CB 3.46Å; T135-I416 HydrophobicContact CG2-CG2 4.33Å; T135-I420 HydrophobicContact CG2-CD1 4.46Å; T135-I420 HydrophobicContact CG2-CG1 4.07Å
136K95.6Very high95.2Very high93 Ų9329.5 Ų29.540%0.40415%0.154SC..Hα-helixtrans-58.4-34.8173.1179.2-178.3178.3179.10111.8Y132 L134 L138Y132-K136 HydrophobicContact CE1-CD 4.14Å; Y132-K136 WeakPolarHBondContact O-CB 3.41Å; Y132-K136 PolarHBondContact O-N 3.05Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.16Å; K136-L138 VanDerWaalsContact C-N 3.32Å
137E94.4Very high95.2Very high38 Ų3825.3 Ų25.318%0.17814%0.135CC..Hα-helixtrans-69.6-28.1173.6-69.3-68.1165.700111.9H133 L134 T135 Y181 I184 K185 K188H133-E137 PolarHBondContact O-N 3.47Å; L134-E137 WeakPolarHBondContact O-CB 3.49Å; L134-E137 PolarHBondContact O-N 2.93Å; L134-E137 VanDerWaalsContact O-N 3.16Å; T135-E137 PolarHBondContact O-N 2.95Å; E137-Y181 HydrophobicContact CG-CD2 4.37Å; E137-Y181 HydrophobicContact CG-CE2 3.96Å; E137-I184 HydrophobicContact CB-CG2 4.07Å; E137-K185 IonicContact OE1-NZ 2.59Å; E137-K185 PolarHBondContact OE1-NZ 2.77Å; E137-K188 WeakPolarHBondContact O-CE 3.28Å; E137-K188 PolarHBondContact O-NZ 2.95Å; E137-K188 WeakPolarHBondContact OE2-CD 3.39Å; E137-K188 IonicContact OE2-NZ 2.77Å; E137-K188 PolarHBondContact OE2-NZ 2.88Å
138L91.8Very high95.2Very high7 Ų725.3 Ų25.34%0.03714%0.135CC..Hα-helixtrans-78.9-31.9-178-62.9175.7000113.8L134 T135 K136 I184 A385 R386 I389 I416 I420L134-L138 HydrophobicContact CD2-CD1 4.01Å; L134-L138 PolarHBondContact O-N 3.3Å; T135-L138 PolarHBondContact O-N 3.44Å; K136-L138 VanDerWaalsContact C-N 3.32Å; L138-I184 HydrophobicContact CD2-CD1 4.32Å; L138-A385 HydrophobicContact CD2-CB 4.11Å; L138-R386 PolarHBondContact O-NE 3.15Å; L138-R386 VanDerWaalsContact O-NE 3.16Å; L138-R386 PolarHBondContact O-NH2 3.24Å; L138-I389 HydrophobicContact CD1-CB 4.16Å; L138-I389 HydrophobicContact CD1-CD1 4.31Å; L138-I389 HydrophobicContact CD1-CG1 3.96Å; L138-I389 HydrophobicContact CD1-CG2 4.3Å; L138-I416 HydrophobicContact CD1-CG2 3.62Å; L138-I420 HydrophobicContact CB-CD1 4.11Å; L138-I420 HydrophobicContact CD1-CD1 4.04Å
139K88.9Confident95.2Very high60 Ų6027 Ų2726%0.26115%0.15SC..SBendtrans-148.3-93.5-175.3-170.6-171.9171.6-165.70112.9T135 A143 I420 S423T135-K139 PolarHBondContact O-N 3.25Å; K139-A143 HydrophobicContact CD-CB 4.32Å; K139-I420 HydrophobicContact CD-CG2 4.2Å; K139-S423 PolarHBondContact NZ-OG 2.88Å
140D91.9Very high95.1Very high54 Ų5424.3 Ų24.329%0.28914%0.135SC..  trans-140.5163.6-171.573-54.4000110.9G142 A143 G144 S423D140-G142 PolarHBondContact O-N 3.28Å; D140-G142 PolarHBondContact OD2-N 3.37Å; D140-A143 PolarHBondContact O-N 3.13Å; D140-A143 VanDerWaalsContact OD1-CB 3.27Å; D140-A143 WeakPolarHBondContact OD1-CB 3.24Å; D140-A143 PolarHBondContact OD1-N 3.47Å; D140-G144 PolarHBondContact O-N 2.96Å; D140-S423 PolarHBondContact OD1-OG 3.17Å
141A93.9Very high95.1Very high21 Ų2123.5 Ų23.517%0.17413%0.131CC..Hα-helixtrans-63.7-28.4-179.400000112.6G144 L145A141-G144 PolarHBondContact O-N 3.34Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 2.96Å
142G93.9Very high95Very high36 Ų3623.5 Ų23.537%0.37113%0.131SC..Hα-helixtrans-64.7-45.617700000112.4D140 G144 L145 L146D140-G142 PolarHBondContact O-N 3.28Å; D140-G142 PolarHBondContact OD2-N 3.37Å; G142-G144 VanDerWaalsContact C-N 3.27Å; G142-G144 PolarHBondContact O-N 2.82Å; G142-L145 PolarHBondContact O-N 3.22Å; G142-L146 PolarHBondContact O-N 3.3Å; G142-L146 VanDerWaalsContact O-N 3.16Å
143A94.9Very high94.9Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-60.3-38.1172.400000112.1T135 K139 D140 L146 A147 I420T135-A143 HydrophobicContact CG2-CB 3.92Å; K139-A143 HydrophobicContact CD-CB 4.32Å; D140-A143 PolarHBondContact O-N 3.13Å; D140-A143 VanDerWaalsContact OD1-CB 3.27Å; D140-A143 WeakPolarHBondContact OD1-CB 3.24Å; D140-A143 PolarHBondContact OD1-N 3.47Å; A143-L146 PolarHBondContact O-N 3.46Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 2.94Å; A143-I420 HydrophobicContact CB-CG1 4.17Å
144G95.7Very high94.9Very high0 Ų020 Ų200%012%0.115CC..Hα-helixtrans-65.5-43.9177.400000113.9Y132 D140 A141 G142 L146 A147 A148Y132-G144 VanDerWaalsContact CD2-C 3.45Å; D140-G144 PolarHBondContact O-N 2.96Å; A141-G144 PolarHBondContact O-N 3.34Å; G142-G144 VanDerWaalsContact C-N 3.27Å; G142-G144 PolarHBondContact O-N 2.82Å; G144-L146 VanDerWaalsContact C-N 3.27Å; G144-L146 PolarHBondContact O-N 3.36Å; G144-A147 PolarHBondContact O-N 3.31Å; G144-A148 WeakPolarHBondContact O-CB 3.27Å; G144-A148 PolarHBondContact O-N 3.42Å
145L96.5Very high94.8Very high25 Ų2519.9 Ų19.913%0.13111%0.114CC..Hα-helixtrans-62.7-39.7177.7-70174.5000111K19 I22 L23 Y132 A141 G142 A148 A149K19-L145 HydrophobicContact CG-CD1 4.16Å; I22-L145 HydrophobicContact CB-CD2 4.17Å; I22-L145 HydrophobicContact CD1-CD1 3.95Å; I22-L145 HydrophobicContact CG2-CB 4.26Å; I22-L145 HydrophobicContact CG2-CD2 3.95Å; I22-L145 HydrophobicContact CG2-CG 4.5Å; L23-L145 HydrophobicContact CD1-CD2 4.47Å; L23-L145 HydrophobicContact CD2-CD2 3.96Å; L23-L145 HydrophobicContact CG-CD2 3.83Å; Y132-L145 HydrophobicContact CD2-CD2 3.88Å; Y132-L145 HydrophobicContact CD2-CG 4.21Å; Y132-L145 HydrophobicContact CE2-CD2 3.72Å; Y132-L145 HydrophobicContact CE2-CG 3.9Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 2.96Å; G142-L145 PolarHBondContact O-N 3.22Å; L145-A148 PolarHBondContact O-N 3.46Å; L145-A149 PolarHBondContact O-N 2.99Å
146L95.9Very high94.6Very high31 Ų3120 Ų2016%0.16212%0.115CC..Hα-helixtrans-69.6-42.5179.5-16568.2000112.3G142 A143 G144 A148 A149 M150 V422 L468G142-L146 PolarHBondContact O-N 3.3Å; G142-L146 VanDerWaalsContact O-N 3.16Å; A143-L146 PolarHBondContact O-N 3.46Å; G144-L146 VanDerWaalsContact C-N 3.27Å; G144-L146 PolarHBondContact O-N 3.36Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.93Å; L146-A149 PolarHBondContact O-N 2.96Å; L146-M150 HydrophobicContact CD1-CE 4.21Å; L146-M150 HydrophobicContact CD2-CE 3.87Å; L146-M150 HydrophobicContact CG-CE 3.78Å; L146-M150 HydrophobicContact CG-SD 4.35Å; L146-M150 WeakPolarHBondContact O-CB 3.39Å; L146-M150 VanDerWaalsContact O-CG 3.31Å; L146-M150 WeakPolarHBondContact O-CG 3.18Å; L146-M150 PolarHBondContact O-N 3.49Å; L146-V422 HydrophobicContact CD2-CB 3.46Å; L146-V422 VanDerWaalsContact CD2-CB 3.46Å; L146-V422 HydrophobicContact CD2-CG1 3.37Å; L146-L468 HydrophobicContact CD1-CD2 4.17Å
147A96.5Very high94.5Very high0 Ų015.6 Ų15.60%010%0.097CC..Hα-helixtrans-61.7-40.5174.900000111.9T131 T135 A143 G144 M150 I151T131-A147 HydrophobicContact CG2-CB 4.06Å; T135-A147 HydrophobicContact CG2-CB 4.04Å; T135-A147 WeakPolarHBondContact OG1-CB 3.46Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 2.94Å; G144-A147 PolarHBondContact O-N 3.31Å; A147-M150 PolarHBondContact O-N 2.79Å; A147-I151 WeakPolarHBondContact O-CG2 3.47Å; A147-I151 PolarHBondContact O-N 2.88Å
148A96.7Very high94.5Very high1 Ų113.8 Ų13.81%0.0089%0.088CC..Hα-helixtrans-64.8-39.8175.800000112.9L23 A128 G144 L145 L146 I151 A152L23-A148 HydrophobicContact CD2-CB 4.23Å; A128-A148 WeakPolarHBondContact O-CB 3.39Å; G144-A148 WeakPolarHBondContact O-CB 3.27Å; G144-A148 PolarHBondContact O-N 3.42Å; L145-A148 PolarHBondContact O-N 3.46Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.93Å; A148-I151 WeakPolarHBondContact O-CG2 3.43Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 3.48Å
149A96Very high94.4Very high39 Ų3914.5 Ų14.532%0.3229%0.094SC..Hα-helixtrans-67.7-38.8174.600000112.2L145 L146L145-A149 PolarHBondContact O-N 2.99Å; L146-A149 PolarHBondContact O-N 2.96Å
150M95.6Very high94.3Very high4 Ų414.1 Ų14.12%0.029%0.09CC..Hα-helixtrans-67.7-44.4179-73.7175.5176.200112.5L146 A147 A152 V153 V154 C415 V422 L468 Y471L146-M150 HydrophobicContact CD1-CE 4.21Å; L146-M150 HydrophobicContact CD2-CE 3.87Å; L146-M150 HydrophobicContact CG-CE 3.78Å; L146-M150 HydrophobicContact CG-SD 4.35Å; L146-M150 WeakPolarHBondContact O-CB 3.39Å; L146-M150 VanDerWaalsContact O-CG 3.31Å; L146-M150 WeakPolarHBondContact O-CG 3.18Å; L146-M150 PolarHBondContact O-N 3.49Å; A147-M150 PolarHBondContact O-N 2.79Å; M150-A152 VanDerWaalsContact C-N 3.31Å; M150-A152 PolarHBondContact O-N 3.24Å; M150-V153 PolarHBondContact O-N 3.15Å; M150-V154 PolarHBondContact O-N 2.8Å; M150-V154 VanDerWaalsContact O-N 3.16Å; M150-C415 HydrophobicContact CB-CB 4.35Å; M150-V422 HydrophobicContact CE-CB 4.35Å; M150-V422 HydrophobicContact CE-CG2 4.07Å; M150-L468 HydrophobicContact CE-CD2 3.65Å; M150-Y471 HydrophobicContact CG-CE1 4.39Å; M150-Y471 PolarHBondContact O-OH 2.93Å; M150-Y471 VanDerWaalsContact O-OH 3.13Å
151I95.9Very high94.3Very high2 Ų211.5 Ų11.51%0.018%0.077CC..Hα-helixtrans-71.1-25.7-180-161171.1000112.7T127 A128 T131 A147 A148 V153 V154 Y157 L177 P412 C415T127-I151 HydrophobicContact CG2-CD1 3.91Å; A128-I151 HydrophobicContact CB-CG2 4.28Å; T131-I151 HydrophobicContact CG2-CD1 4.32Å; T131-I151 HydrophobicContact CG2-CG2 4.12Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.5Å; A147-I151 WeakPolarHBondContact O-CG2 3.47Å; A147-I151 PolarHBondContact O-N 2.88Å; A148-I151 WeakPolarHBondContact O-CG2 3.43Å; I151-V153 PolarHBondContact O-N 3.34Å; I151-V154 HydrophobicContact CG1-CG1 4.1Å; I151-V154 WeakPolarHBondContact O-CG1 3.5Å; I151-Y157 HydrophobicContact CG1-CD1 4.46Å; I151-L177 HydrophobicContact CD1-CD1 4.08Å; I151-P412 HydrophobicContact CD1-CB 4.09Å; I151-P412 HydrophobicContact CD1-CG 4.37Å; I151-C415 HydrophobicContact CB-CB 3.99Å
152A95.6Very high94.2Very high0 Ų010.9 Ų10.90%07%0.071CC..Hα-helixtrans-59-36.8176.400000112.3R34 A148 M150R34-A152 PolarHBondContact NH1-O 2.98Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 3.48Å; M150-A152 VanDerWaalsContact C-N 3.31Å; M150-A152 PolarHBondContact O-N 3.24Å
153V95.8Very high94.1Very high6 Ų69.2 Ų9.24%0.0365%0.053CC..Hα-helixtrans-109.7-1.2-174.9-58.70000114.2L29 T33 M150 I151 P155 I158 Y471 S475L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.9Å; T33-V153 HydrophobicContact CG2-CG1 4.4Å; M150-V153 PolarHBondContact O-N 3.15Å; I151-V153 PolarHBondContact O-N 3.34Å; V153-P155 VanDerWaalsContact O-CD 3.27Å; V153-P155 WeakPolarHBondContact O-CD 3.29Å; V153-I158 WeakPolarHBondContact O-CD1 3.4Å; V153-Y471 HydrophobicContact CG2-CD1 4.38Å; V153-Y471 HydrophobicContact CG2-CE1 3.57Å; V153-S475 VanDerWaalsContact O-CB 3.26Å; V153-S475 WeakPolarHBondContact O-CB 3.49Å
154V95.9Very high93.8Very high0 Ų09.2 Ų9.20%05%0.053CC..  trans-63.8120-172.968.70000112.2M150 I151 G156 Y157 I158 L364 L367 A411 Y471M150-V154 PolarHBondContact O-N 2.8Å; M150-V154 VanDerWaalsContact O-N 3.16Å; I151-V154 HydrophobicContact CG1-CG1 4.1Å; I151-V154 WeakPolarHBondContact O-CG1 3.5Å; V154-G156 VanDerWaalsContact C-N 3.33Å; V154-G156 PolarHBondContact O-N 3.28Å; V154-Y157 PolarHBondContact O-N 3.04Å; V154-I158 WeakPolarHBondContact O-CG1 3.35Å; V154-I158 PolarHBondContact O-N 3.48Å; V154-I158 VanDerWaalsContact O-N 3.11Å; V154-L364 HydrophobicContact CG2-CD2 3.82Å; V154-L367 HydrophobicContact CG2-CD2 4.11Å; V154-A411 HydrophobicContact CG1-CB 4.38Å; V154-A411 HydrophobicContact CG2-CB 4.34Å; V154-Y471 WeakPolarHBondContact CA-OH 3.45Å
155P94Very high93.5Very high0 Ų09.4 Ų9.40%05%0.054CC..Hα-helixtrans-59-39.7-176.8-28.435.5000114.2V153 Y157 I158 S159 D363 V478 Y483V153-P155 VanDerWaalsContact O-CD 3.27Å; V153-P155 WeakPolarHBondContact O-CD 3.29Å; P155-Y157 PolarHBondContact O-N 2.86Å; P155-I158 PolarHBondContact O-N 3.39Å; P155-S159 PolarHBondContact O-N 3.1Å; P155-D363 VanDerWaalsContact CD-O 3.29Å; P155-D363 WeakPolarHBondContact CD-O 3.2Å; P155-V478 HydrophobicContact CB-CB 4.34Å; P155-V478 HydrophobicContact CB-CG1 3.76Å; P155-V478 HydrophobicContact CG-CB 4.26Å; P155-V478 HydrophobicContact CG-CG1 4.23Å; P155-Y483 HydrophobicContact CB-CE2 4Å
156G90.8Very high93.3Very high2 Ų28.3 Ų8.32%0.0215%0.049CC..Hα-helixtrans-60.2-26.8179.200000114.6V154 S159 D363V154-G156 VanDerWaalsContact C-N 3.33Å; V154-G156 PolarHBondContact O-N 3.28Å; G156-S159 PolarHBondContact O-OG 2.93Å; G156-S159 VanDerWaalsContact O-OG 3.12Å; G156-D363 PolarHBondContact N-O 3.03Å
157Y94Very high93.1Very high2 Ų27.3 Ų7.31%0.0084%0.043CC..Hα-helixtrans-88.1-36.5171.6-178.8-139.3000112S124 T127 I151 V154 P155 S159 S161 G170 I173 L408S124-Y157 WeakPolarHBondContact OG-CE1 3.35Å; T127-Y157 HydrophobicContact CG2-CE1 3.96Å; T127-Y157 PolarHBondContact OG1-OH 2.59Å; T127-Y157 VanDerWaalsContact OG1-OH 3.14Å; I151-Y157 HydrophobicContact CG1-CD1 4.46Å; V154-Y157 PolarHBondContact O-N 3.04Å; P155-Y157 PolarHBondContact O-N 2.86Å; Y157-S159 VanDerWaalsContact C-N 3.3Å; Y157-S159 PolarHBondContact O-N 3.1Å; Y157-S161 WeakPolarHBondContact O-CB 3.36Å; Y157-S161 PolarHBondContact O-N 3.04Å; Y157-S161 PolarHBondContact O-OG 2.93Å; Y157-G170 PolarHBondContact OH-O 2.64Å; Y157-I173 HydrophobicContact CD2-CB 4.4Å; Y157-I173 HydrophobicContact CD2-CG1 4.14Å; Y157-I173 HydrophobicContact CD2-CG2 4.31Å; Y157-I173 HydrophobicContact CE2-CB 3.7Å; Y157-I173 HydrophobicContact CE2-CG1 3.76Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; Y157-L408 HydrophobicContact CD2-CD1 3.83Å
158I93.8Very high92.8Very high0 Ų08.6 Ų8.60%05%0.05CC..Hα-helixtrans-61.6-38.9179.4-69.8170000111.3R34 V153 V154 P155 R160 S161 V162 T479R34-I158 HydrophobicContact CG-CG1 4.49Å; R34-I158 HydrophobicContact CG-CG2 4.43Å; V153-I158 WeakPolarHBondContact O-CD1 3.4Å; V154-I158 WeakPolarHBondContact O-CG1 3.35Å; V154-I158 PolarHBondContact O-N 3.48Å; V154-I158 VanDerWaalsContact O-N 3.11Å; P155-I158 PolarHBondContact O-N 3.39Å; I158-R160 PolarHBondContact O-N 3.29Å; I158-S161 WeakPolarHBondContact CA-OG 3.45Å; I158-S161 CarbonylContact O-C 3.6Å; I158-S161 PolarHBondContact O-N 2.7Å; I158-V162 HydrophobicContact CG2-CG2 4.1Å; I158-V162 WeakPolarHBondContact O-CG2 3.49Å; I158-V162 PolarHBondContact O-N 3.42Å; I158-V162 VanDerWaalsContact O-N 3.11Å; I158-T479 HydrophobicContact CG2-CG2 3.63Å
159S89.6Confident92.4Very high22 Ų228.7 Ų8.715%0.1545%0.051CC..THydrogen-bonded Turntrans-50.7-31.7-177.565.30000114.7P155 G156 Y157 Y483P155-S159 PolarHBondContact O-N 3.1Å; G156-S159 PolarHBondContact O-OG 2.93Å; G156-S159 VanDerWaalsContact O-OG 3.12Å; Y157-S159 VanDerWaalsContact C-N 3.3Å; Y157-S159 PolarHBondContact O-N 3.1Å; S159-Y483 VanDerWaalsContact CB-CE1 3.48Å
160R87.8Confident91.7Very high51 Ų516.9 Ų6.919%0.1924%0.036CC..THydrogen-bonded Turntrans-116.315.7178-60.7-65.6-180153.67.1113.9E47 I158 E169 E351 L408E47-R160 IonicContact OE2-NH1 3.4Å; E47-R160 PolarHBondContact OE2-NH1 3.28Å; I158-R160 PolarHBondContact O-N 3.29Å; R160-E169 HydrophobicContact CB-CB 4.38Å; R160-E351 IonicContact CZ-OE1 3Å; R160-E351 VanDerWaalsContact CZ-OE1 3.22Å; R160-E351 IonicContact NH1-OE1 3.45Å; R160-E351 PolarHBondContact NH1-OE1 3.05Å; R160-E351 IonicContact NH2-OE1 3.55Å; R160-E351 PolarHBondContact NH2-OE1 3.22Å; R160-E351 IonicContact NH2-OE2 3.74Å; R160-L408 HydrophobicContact CB-CD1 4.12Å
161S92.2Very high91.5Very high0 Ų06.7 Ų6.70%04%0.035CC..THydrogen-bonded Turntrans-134.819.3177.163.10000113.3R34 Y157 I158R34-S161 WeakPolarHBondContact CD-O 3.2Å; R34-S161 PolarHBondContact NE-OG 3.32Å; R34-S161 PolarHBondContact NH2-OG 3.41Å; Y157-S161 WeakPolarHBondContact O-CB 3.36Å; Y157-S161 PolarHBondContact O-N 3.04Å; Y157-S161 PolarHBondContact O-OG 2.93Å; I158-S161 WeakPolarHBondContact CA-OG 3.45Å; I158-S161 CarbonylContact O-C 3.6Å; I158-S161 PolarHBondContact O-N 2.7Å
162V91.9Very high91.4Very high8 Ų86.6 Ų6.65%0.0483%0.034CC..SBendtrans-62.9147.3173.1-170.30000110R34 S37 I158 G164 S165R34-V162 WeakPolarHBondContact O-CG1 3.49Å; S37-V162 WeakPolarHBondContact OG-CG1 3.31Å; I158-V162 HydrophobicContact CG2-CG2 4.1Å; I158-V162 WeakPolarHBondContact O-CG2 3.49Å; I158-V162 PolarHBondContact O-N 3.42Å; I158-V162 VanDerWaalsContact O-N 3.11Å; V162-G164 PolarHBondContact O-N 3.26Å; V162-S165 WeakPolarHBondContact O-CB 3.41Å; V162-S165 PolarHBondContact O-N 3.43Å
163A91.9Very high91.3Very high0 Ų06.6 Ų6.60%03%0.034CC..THydrogen-bonded Turntrans-57.2130.9172.100000110.6R34 L35 S37 V38 P121R34-A163 VanDerWaalsContact O-CB 3.24Å; R34-A163 WeakPolarHBondContact O-CB 3.48Å; R34-A163 PolarHBondContact O-N 2.95Å; L35-A163 HydrophobicContact CD2-CB 4.04Å; S37-A163 PolarHBondContact OG-O 2.85Å; V38-A163 HydrophobicContact CG2-CB 3.6Å; P121-A163 HydrophobicContact CG-CB 3.75Å
164G87.3Confident91.4Very high0 Ų07.7 Ų7.70%04%0.039CC..THydrogen-bonded Turntrans95.4-18-172.900000114.6V44 I45 H46 V117 V162 Y166V44-G164 WeakPolarHBondContact O-CA 3.44Å; I45-G164 CarbonylContact C-O 3.6Å; I45-G164 VanDerWaalsContact CA-O 3.3Å; I45-G164 WeakPolarHBondContact CA-O 3.46Å; H46-G164 PolarHBondContact N-O 3.31Å; V117-G164 PolarHBondContact O-N 3.38Å; V162-G164 PolarHBondContact O-N 3.26Å; G164-Y166 PolarHBondContact O-N 3.45Å
165S89.6Confident91.4Very high4 Ų47.7 Ų7.73%0.0284%0.039CC..  trans-85.787.1171.4-170.60000109.9V162 D167V162-S165 WeakPolarHBondContact O-CB 3.41Å; V162-S165 PolarHBondContact O-N 3.43Å; S165-D167 VanDerWaalsContact C-N 3.26Å; S165-D167 PolarHBondContact O-N 3.04Å; S165-D167 VanDerWaalsContact O-N 3.14Å
166Y93.3Very high91.4Very high3 Ų37.8 Ų7.81%0.0124%0.039CC..  trans-87.163.4179.2-175.6-115000111.5P50 N53 T57 L92 S96 C116 L119 G164P50-Y166 WeakPolarHBondContact CB-O 3.39Å; N53-Y166 HydrophobicContact CB-CD1 3.57Å; N53-Y166 HydrophobicContact CB-CE1 3.59Å; N53-Y166 PolarHBondContact ND2-O 3.36Å; T57-Y166 WeakPolarHBondContact OG1-CE1 3.4Å; T57-Y166 PolarHBondContact OG1-OH 3.01Å; L92-Y166 HydrophobicContact CD1-CD2 4.22Å; L92-Y166 HydrophobicContact CD1-CE2 3.62Å; L92-Y166 HydrophobicContact CD2-CD1 4.23Å; L92-Y166 HydrophobicContact CD2-CD2 4.27Å; L92-Y166 HydrophobicContact CD2-CE1 3.92Å; L92-Y166 HydrophobicContact CD2-CE2 3.95Å; L92-Y166 HydrophobicContact CD2-CG 4.4Å; L92-Y166 HydrophobicContact CG-CD2 4.44Å; L92-Y166 HydrophobicContact CG-CE1 4.21Å; L92-Y166 HydrophobicContact CG-CE2 3.7Å; L92-Y166 PolarHBondContact O-OH 3.26Å; S96-Y166 VanDerWaalsContact CB-OH 3.25Å; S96-Y166 WeakPolarHBondContact CB-OH 3.33Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.28Å; S96-Y166 VanDerWaalsContact OG-CZ 3.3Å; S96-Y166 PolarHBondContact OG-OH 2.89Å; C116-Y166 HydrophobicContact CB-CD1 4.07Å; C116-Y166 HydrophobicContact CB-CD2 3.82Å; C116-Y166 HydrophobicContact CB-CE1 4.27Å; C116-Y166 HydrophobicContact CB-CE2 4.05Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.25Å; C116-Y166 WeakPolarHBondContact O-CD2 3.39Å; L119-Y166 HydrophobicContact CB-CD2 4.49Å; L119-Y166 HydrophobicContact CB-CE2 4.43Å; L119-Y166 HydrophobicContact CD1-CE2 4.24Å; G164-Y166 PolarHBondContact O-N 3.45Å
167D91.1Very high91.7Very high9 Ų97.7 Ų7.75%0.0484%0.038CC..  trans-108.6161.8177.3-152.50.6000112.5P50 S165 E169 G170P50-D167 HydrophobicContact CG-CB 4.34Å; S165-D167 VanDerWaalsContact C-N 3.26Å; S165-D167 PolarHBondContact O-N 3.04Å; S165-D167 VanDerWaalsContact O-N 3.14Å; D167-E169 PolarHBondContact O-N 3.46Å; D167-G170 PolarHBondContact O-N 3.32Å
168N90.2Very high91.8Very high27 Ų279.4 Ų9.414%0.1445%0.047CC..Hα-helixtrans-63.9-29.8-174.6-63.2-47.3000112.2L92 G170 I171 A172L92-N168 WeakPolarHBondContact CB-OD1 3.43Å; L92-N168 WeakPolarHBondContact CD2-OD1 3.46Å; N168-G170 VanDerWaalsContact C-N 3.25Å; N168-G170 PolarHBondContact O-N 2.95Å; N168-I171 WeakPolarHBondContact O-CG2 3.44Å; N168-I171 PolarHBondContact O-N 3.5Å; N168-A172 VanDerWaalsContact O-CB 3.29Å; N168-A172 WeakPolarHBondContact O-CB 3.36Å; N168-A172 PolarHBondContact O-N 3.42Å
169E87.6Confident92Very high4 Ų49.4 Ų9.42%0.0195%0.047CC..Hα-helixtrans-57.4-35.8179.4-81.476.218000112.8R160 D167 I171 A172 I173 W209 R405 L408R160-E169 HydrophobicContact CB-CB 4.38Å; D167-E169 PolarHBondContact O-N 3.46Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 3.19Å; E169-A172 PolarHBondContact O-N 3.01Å; E169-I173 PolarHBondContact O-N 3.48Å; E169-W209 PolarHBondContact OE1-NE1 3.01Å; E169-R405 IonicContact OE1-CZ 3.71Å; E169-R405 IonicContact OE1-NE 3.79Å; E169-R405 PolarHBondContact OE1-NE 2.92Å; E169-R405 VanDerWaalsContact OE1-NE 3.14Å; E169-R405 IonicContact OE1-NH2 2.67Å; E169-R405 PolarHBondContact OE1-NH2 2.94Å; E169-R405 IonicContact OE2-NH2 2.8Å; E169-L408 HydrophobicContact CB-CD2 3.59Å; E169-L408 HydrophobicContact CG-CD2 3.38Å
170G81Confident92.3Very high1 Ų18.4 Ų8.41%0.014%0.04CC..Hα-helixtrans-59.7-39.1-178.400000112.7Y157 D167 N168Y157-G170 PolarHBondContact OH-O 2.64Å; D167-G170 PolarHBondContact O-N 3.32Å; N168-G170 VanDerWaalsContact C-N 3.25Å; N168-G170 PolarHBondContact O-N 2.95Å
171I93Very high92.8Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-90.7-32.1178-163.2164000112.4L92 T95 F123 N168 E169 I173 F174 C175 Y204L92-I171 HydrophobicContact CD1-CB 4.44Å; L92-I171 HydrophobicContact CD1-CG2 3.99Å; T95-I171 HydrophobicContact CG2-CD1 3.83Å; F123-I171 HydrophobicContact CD1-CD1 4.31Å; F123-I171 HydrophobicContact CD1-CG1 3.76Å; F123-I171 HydrophobicContact CE1-CD1 3.84Å; F123-I171 HydrophobicContact CE1-CG1 3.7Å; F123-I171 HydrophobicContact CE2-CD1 4.1Å; F123-I171 HydrophobicContact CG-CG1 4.21Å; F123-I171 HydrophobicContact CZ-CD1 3.74Å; F123-I171 HydrophobicContact CZ-CG1 4.1Å; N168-I171 WeakPolarHBondContact O-CG2 3.44Å; N168-I171 PolarHBondContact O-N 3.5Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 3.19Å; I171-I173 VanDerWaalsContact C-N 3.33Å; I171-I173 PolarHBondContact O-N 2.88Å; I171-F174 WeakPolarHBondContact O-CB 3.25Å; I171-F174 PolarHBondContact O-N 3.17Å; I171-C175 PolarHBondContact O-N 2.81Å; I171-C175 VanDerWaalsContact O-N 3.07Å; I171-C175 PolarHBondContact O-SG 3.36Å; I171-Y204 WeakPolarHBondContact CD1-OH 3.25Å
172A93.1Very high93Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-58.6-41.8-176.500000113N168 E169 F174 C175 M176 M205 W209N168-A172 VanDerWaalsContact O-CB 3.29Å; N168-A172 WeakPolarHBondContact O-CB 3.36Å; N168-A172 PolarHBondContact O-N 3.42Å; E169-A172 PolarHBondContact O-N 3.01Å; A172-F174 VanDerWaalsContact C-N 3.34Å; A172-F174 PolarHBondContact O-N 3.42Å; A172-C175 PolarHBondContact O-N 3.26Å; A172-M176 VanDerWaalsContact O-CB 3.3Å; A172-M176 WeakPolarHBondContact O-CB 3.32Å; A172-M176 PolarHBondContact O-N 3.05Å; A172-M205 HydrophobicContact CB-CE 4.42Å; A172-M205 HydrophobicContact CB-SD 4.48Å; A172-M205 VanDerWaalsContact O-SD 3.39Å; A172-W209 HydrophobicContact CB-CB 3.49Å; A172-W209 VanDerWaalsContact CB-CB 3.49Å; A172-W209 HydrophobicContact CB-CD2 3.84Å; A172-W209 HydrophobicContact CB-CE3 3.81Å; A172-W209 HydrophobicContact CB-CG 3.73Å
173I94.5Very high93.2Very high0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-65.5-39-179.4-60.6-58000111.4T127 Y157 E169 I171 M176 L177 L408 P412T127-I173 HydrophobicContact CG2-CG2 4.01Å; Y157-I173 HydrophobicContact CD2-CB 4.4Å; Y157-I173 HydrophobicContact CD2-CG1 4.14Å; Y157-I173 HydrophobicContact CD2-CG2 4.31Å; Y157-I173 HydrophobicContact CE2-CB 3.7Å; Y157-I173 HydrophobicContact CE2-CG1 3.76Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; E169-I173 PolarHBondContact O-N 3.48Å; I171-I173 VanDerWaalsContact C-N 3.33Å; I171-I173 PolarHBondContact O-N 2.88Å; I173-M176 HydrophobicContact CD1-CE 3.67Å; I173-M176 HydrophobicContact CG2-CE 4.48Å; I173-M176 PolarHBondContact O-N 2.96Å; I173-L177 HydrophobicContact CG2-CD1 4.46Å; I173-L177 WeakPolarHBondContact O-CG 3.43Å; I173-L177 PolarHBondContact O-N 3.18Å; I173-L408 HydrophobicContact CD1-CD2 3.97Å; I173-L408 HydrophobicContact CD1-CG 3.84Å; I173-L408 HydrophobicContact CG1-CD1 4.41Å; I173-L408 HydrophobicContact CG1-CD2 4.03Å; I173-L408 HydrophobicContact CG1-CG 4Å; I173-P412 HydrophobicContact CG2-CG 3.81Å
174F95.9Very high93.4Very high29 Ų299 Ų913%0.1274%0.044CC..Hα-helixtrans-60-50.3172.1166.4-99.3000111.1F123 F126 T127 V130 I171 A172 M176 L177 L178 Y204F123-F174 HydrophobicContact CD1-CB 4.04Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.28Å; F123-F174 AromaticContact CD1-CG 3.84Å; F123-F174 HydrophobicContact CD1-CG 3.84Å; F123-F174 AromaticContact CE1-CD1 3.72Å; F123-F174 HydrophobicContact CE1-CD1 3.72Å; F123-F174 AromaticContact CE1-CE1 3.96Å; F123-F174 HydrophobicContact CE1-CE1 3.96Å; F123-F174 HydrophobicContact CE1-CG 4.34Å; F126-F174 HydrophobicContact CB-CD2 3.74Å; F126-F174 HydrophobicContact CB-CE2 3.64Å; T127-F174 WeakPolarHBondContact OG1-CB 2.99Å; V130-F174 HydrophobicContact CG2-CD2 3.92Å; V130-F174 HydrophobicContact CG2-CE2 3.49Å; V130-F174 VanDerWaalsContact CG2-CE2 3.49Å; V130-F174 HydrophobicContact CG2-CZ 4.49Å; I171-F174 WeakPolarHBondContact O-CB 3.25Å; I171-F174 PolarHBondContact O-N 3.17Å; A172-F174 VanDerWaalsContact C-N 3.34Å; A172-F174 PolarHBondContact O-N 3.42Å; F174-M176 VanDerWaalsContact C-N 3.32Å; F174-M176 PolarHBondContact O-N 3.29Å; F174-L177 PolarHBondContact O-N 2.95Å; F174-L178 HydrophobicContact CE1-CD2 4.19Å; F174-L178 HydrophobicContact CZ-CD2 4.17Å; F174-L178 WeakPolarHBondContact O-CB 3.34Å; F174-L178 PolarHBondContact O-N 3.41Å; F174-Y204 HydrophobicContact CD1-CE1 4.48Å; F174-Y204 HydrophobicContact CE1-CE1 4.3Å
175C96Very high93.8Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-60.8-40.8-179.8-60.10000112.4I171 A172 L178 T179 Y204 M205I171-C175 PolarHBondContact O-N 2.81Å; I171-C175 VanDerWaalsContact O-N 3.07Å; I171-C175 PolarHBondContact O-SG 3.36Å; A172-C175 PolarHBondContact O-N 3.26Å; C175-L178 PolarHBondContact O-N 3.49Å; C175-T179 WeakPolarHBondContact O-CB 3.47Å; C175-T179 PolarHBondContact O-N 2.97Å; C175-T179 PolarHBondContact O-OG1 3.33Å; C175-Y204 HydrophobicContact CB-CD1 4.25Å; C175-Y204 WeakPolarHBondContact SG-CD1 3.49Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.39Å; C175-M205 HydrophobicContact CB-CB 4.01Å; C175-M205 HydrophobicContact CB-CG 4.39Å; C175-M205 HydrophobicContact CB-SD 3.51Å; C175-M205 VanDerWaalsContact CB-SD 3.51Å
176M95.5Very high94.1Very high1 Ų111 Ų111%0.0055%0.052CC..Hα-helixtrans-62.5-50.5177.2-177.3179.265.400111.3A172 I173 F174 L178 T179 Y180 M205 Y392 V409 P412A172-M176 VanDerWaalsContact O-CB 3.3Å; A172-M176 WeakPolarHBondContact O-CB 3.32Å; A172-M176 PolarHBondContact O-N 3.05Å; I173-M176 HydrophobicContact CD1-CE 3.67Å; I173-M176 HydrophobicContact CG2-CE 4.48Å; I173-M176 PolarHBondContact O-N 2.96Å; F174-M176 VanDerWaalsContact C-N 3.32Å; F174-M176 PolarHBondContact O-N 3.29Å; M176-L178 VanDerWaalsContact C-N 3.34Å; M176-L178 PolarHBondContact O-N 2.99Å; M176-T179 PolarHBondContact O-N 3.35Å; M176-Y180 HydrophobicContact CG-CD2 3.98Å; M176-Y180 HydrophobicContact CG-CE2 3.41Å; M176-Y180 VanDerWaalsContact CG-CE2 3.41Å; M176-Y180 WeakPolarHBondContact O-CD2 3.11Å; M176-Y180 PolarHBondContact O-N 2.86Å; M176-Y180 HydrophobicContact SD-CE2 3.95Å; M176-M205 HydrophobicContact CB-CE 3.84Å; M176-M205 HydrophobicContact CB-SD 4.23Å; M176-M205 HydrophobicContact CG-CE 4.44Å; M176-Y392 VanDerWaalsContact CE-OH 3.31Å; M176-Y392 WeakPolarHBondContact CE-OH 3.27Å; M176-V409 HydrophobicContact CE-CG1 4.24Å; M176-V409 HydrophobicContact SD-CG1 4Å; M176-P412 HydrophobicContact CE-CG 4.28Å
177L96.1Very high94.2Very high0 Ų011 Ų110%05%0.052CC..Hα-helixtrans-66.3-36.3178.7-66.8-173.5000112.5T127 V130 T131 L134 I151 I173 F174 T179 Y180 Y181 P412T127-L177 HydrophobicContact CG2-CD1 3.68Å; V130-L177 HydrophobicContact CG1-CB 3.78Å; T131-L177 VanDerWaalsContact OG1-CD1 3.23Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.11Å; L134-L177 HydrophobicContact CD1-CD2 4.22Å; I151-L177 HydrophobicContact CD1-CD1 4.08Å; I173-L177 HydrophobicContact CG2-CD1 4.46Å; I173-L177 WeakPolarHBondContact O-CG 3.43Å; I173-L177 PolarHBondContact O-N 3.18Å; F174-L177 PolarHBondContact O-N 2.95Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-Y180 HydrophobicContact CD2-CD2 4.41Å; L177-Y180 PolarHBondContact O-N 3.07Å; L177-Y181 WeakPolarHBondContact O-CB 3.25Å; L177-Y181 PolarHBondContact O-N 3.48Å; L177-P412 HydrophobicContact CD1-CB 4.14Å; L177-P412 HydrophobicContact CD2-CB 3.8Å; L177-P412 HydrophobicContact CG-CB 4.38Å
178L97.1Very high94.3Very high39 Ų3913.8 Ų13.820%0.2046%0.064CC..Hα-helixtrans-61.8-44.7174.7-177.266.4000110.5V130 F174 C175 M176 Y181 M182 A201V130-L178 HydrophobicContact CG1-CB 4.4Å; V130-L178 HydrophobicContact CG2-CD1 4.48Å; F174-L178 HydrophobicContact CE1-CD2 4.19Å; F174-L178 HydrophobicContact CZ-CD2 4.17Å; F174-L178 WeakPolarHBondContact O-CB 3.34Å; F174-L178 PolarHBondContact O-N 3.41Å; C175-L178 PolarHBondContact O-N 3.49Å; M176-L178 VanDerWaalsContact C-N 3.34Å; M176-L178 PolarHBondContact O-N 2.99Å; L178-Y181 PolarHBondContact O-N 3.38Å; L178-M182 HydrophobicContact CD1-CE 3.97Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.27Å; L178-M182 PolarHBondContact O-N 3.4Å; L178-A201 HydrophobicContact CD2-CB 4.28Å; L178-A201 HydrophobicContact CG-CB 4.24Å
179T97.1Very high94.5Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-63.9-43.8177.3-54.60000111.3C175 M176 L177 Y181 M182 W183 A201 L215C175-T179 WeakPolarHBondContact O-CB 3.47Å; C175-T179 PolarHBondContact O-N 2.97Å; C175-T179 PolarHBondContact O-OG1 3.33Å; M176-T179 PolarHBondContact O-N 3.35Å; L177-T179 VanDerWaalsContact C-N 3.33Å; T179-Y181 PolarHBondContact O-N 3.4Å; T179-M182 PolarHBondContact O-N 2.83Å; T179-W183 WeakPolarHBondContact O-CB 3.19Å; T179-W183 PolarHBondContact O-N 2.81Å; T179-A201 PolarHBondContact OG1-O 3.44Å; T179-L215 HydrophobicContact CG2-CD1 3.66Å; T179-L215 HydrophobicContact CG2-CD2 3.78Å; T179-L215 HydrophobicContact CG2-CG 4.33Å
180Y96.4Very high94.7Very high0 Ų016.7 Ų16.70%09%0.086CC..Hα-helixtrans-65-38.1176.2-67.7-26.9000113.4M176 L177 W183 I184 F214 L215 L218 F388 Y392M176-Y180 HydrophobicContact CG-CD2 3.98Å; M176-Y180 HydrophobicContact CG-CE2 3.41Å; M176-Y180 VanDerWaalsContact CG-CE2 3.41Å; M176-Y180 WeakPolarHBondContact O-CD2 3.11Å; M176-Y180 PolarHBondContact O-N 2.86Å; M176-Y180 HydrophobicContact SD-CE2 3.95Å; L177-Y180 HydrophobicContact CD2-CD2 4.41Å; L177-Y180 PolarHBondContact O-N 3.07Å; Y180-W183 PolarHBondContact O-N 2.67Å; Y180-I184 WeakPolarHBondContact O-CB 3.36Å; Y180-I184 VanDerWaalsContact O-CG1 3.28Å; Y180-I184 WeakPolarHBondContact O-CG1 3.32Å; Y180-I184 PolarHBondContact O-N 2.7Å; Y180-F214 WeakPolarHBondContact OH-CD1 3.49Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.29Å; Y180-L215 HydrophobicContact CD1-CG 4.46Å; Y180-L215 HydrophobicContact CE1-CD1 4.37Å; Y180-L215 HydrophobicContact CE1-CD2 4.14Å; Y180-L215 HydrophobicContact CE1-CG 3.72Å; Y180-L218 HydrophobicContact CE1-CD2 4.05Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.2Å; Y180-F388 AromaticContact CD1-CE1 3.86Å; Y180-F388 HydrophobicContact CD1-CE1 3.86Å; Y180-F388 HydrophobicContact CD1-CE2 4.47Å; Y180-F388 AromaticContact CD1-CZ 3.37Å; Y180-F388 HydrophobicContact CD1-CZ 3.37Å; Y180-F388 HydrophobicContact CE1-CE1 4.37Å; Y180-F388 AromaticContact CE1-CZ 3.58Å; Y180-F388 HydrophobicContact CE1-CZ 3.58Å; Y180-F388 AromaticContact CG-CE1 3.93Å; Y180-F388 HydrophobicContact CG-CE1 3.93Å; Y180-F388 AromaticContact CG-CZ 3.93Å; Y180-F388 HydrophobicContact CG-CZ 3.93Å; Y180-Y392 HydrophobicContact CD2-CD1 4.05Å; Y180-Y392 AromaticContact CD2-CE1 3.59Å; Y180-Y392 HydrophobicContact CD2-CE1 3.59Å; Y180-Y392 AromaticContact CE2-CD1 3.81Å; Y180-Y392 HydrophobicContact CE2-CD1 3.81Å; Y180-Y392 HydrophobicContact CE2-CD2 4.43Å; Y180-Y392 AromaticContact CE2-CE1 3.31Å; Y180-Y392 HydrophobicContact CE2-CE1 3.31Å; Y180-Y392 HydrophobicContact CE2-CE2 4.07Å; Y180-Y392 HydrophobicContact CE2-CG 4.38Å; Y180-Y392 AromaticContact CE2-CZ 3.53Å
181Y97Very high95.3Very high37 Ų3718.6 Ų18.615%0.14510%0.1CC..Hα-helixtrans-59.9-49.9172.5167.5-109.5000111.2H133 E137 L177 L178 T179 W183 I184 K185H133-Y181 HydrophobicContact CB-CD2 4.13Å; H133-Y181 HydrophobicContact CB-CE2 3.88Å; E137-Y181 HydrophobicContact CG-CD2 4.37Å; E137-Y181 HydrophobicContact CG-CE2 3.96Å; L177-Y181 WeakPolarHBondContact O-CB 3.25Å; L177-Y181 PolarHBondContact O-N 3.48Å; L178-Y181 PolarHBondContact O-N 3.38Å; T179-Y181 PolarHBondContact O-N 3.4Å; Y181-W183 VanDerWaalsContact C-N 3.34Å; Y181-W183 PolarHBondContact O-N 3.22Å; Y181-I184 PolarHBondContact O-N 2.93Å; Y181-K185 WeakPolarHBondContact O-CB 3.05Å; Y181-K185 PolarHBondContact O-N 3.4Å
182M97.3Very high95.4Very high32 Ų3222.4 Ų22.416%0.15812%0.123CC..Hα-helixtrans-64-38.6178.9-64.9-6017800112L178 T179 K185 A186 W194 M197 C198L178-M182 HydrophobicContact CD1-CE 3.97Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.27Å; L178-M182 PolarHBondContact O-N 3.4Å; T179-M182 PolarHBondContact O-N 2.83Å; M182-K185 PolarHBondContact O-N 3.05Å; M182-A186 VanDerWaalsContact O-CB 3.3Å; M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 2.95Å; M182-W194 HydrophobicContact CE-CZ3 4.42Å; M182-W194 HydrophobicContact SD-CE3 3.73Å; M182-W194 HydrophobicContact SD-CZ3 3.69Å; M182-M197 HydrophobicContact SD-CB 4.33Å; M182-C198 HydrophobicContact CB-CB 3.72Å
183W96.9Very high95.6Very high1 Ų129 Ų290%0.00415%0.149CC..Hα-helixtrans-61-52174.4174.1-114.1000111.9T179 Y180 Y181 K185 A186 V187 I219 H222 V223 A239 Y240 V243 F388T179-W183 WeakPolarHBondContact O-CB 3.19Å; T179-W183 PolarHBondContact O-N 2.81Å; Y180-W183 PolarHBondContact O-N 2.67Å; Y181-W183 VanDerWaalsContact C-N 3.34Å; Y181-W183 PolarHBondContact O-N 3.22Å; W183-K185 VanDerWaalsContact C-N 3.25Å; W183-K185 PolarHBondContact O-N 3.36Å; W183-A186 WeakPolarHBondContact O-CB 3.36Å; W183-A186 PolarHBondContact O-N 3.4Å; W183-A186 VanDerWaalsContact O-N 3.13Å; W183-V187 HydrophobicContact CD2-CG2 3.99Å; W183-V187 HydrophobicContact CE3-CG2 4.41Å; W183-V187 HydrophobicContact CH2-CG2 4.03Å; W183-V187 HydrophobicContact CZ2-CG2 3.57Å; W183-V187 HydrophobicContact CZ3-CG2 4.43Å; W183-V187 WeakPolarHBondContact O-CG2 3.42Å; W183-V187 PolarHBondContact O-N 3.31Å; W183-I219 HydrophobicContact CD2-CD1 4.21Å; W183-I219 HydrophobicContact CD2-CG1 4.26Å; W183-I219 HydrophobicContact CD2-CG2 4.11Å; W183-I219 HydrophobicContact CE3-CD1 4.33Å; W183-I219 HydrophobicContact CE3-CG2 4.1Å; W183-I219 HydrophobicContact CG-CD1 4.32Å; W183-I219 HydrophobicContact CG-CG1 4.36Å; W183-I219 HydrophobicContact CH2-CG2 3.64Å; W183-I219 HydrophobicContact CZ2-CG2 3.64Å; W183-I219 HydrophobicContact CZ3-CG2 3.86Å; W183-H222 AromaticContact CE2-ND1 3.8Å; W183-H222 AromaticContact CZ2-ND1 3.77Å; W183-H222 AromaticContact NE1-CE1 3.81Å; W183-H222 AromaticContact NE1-ND1 3.21Å; W183-H222 PolarHBondContact NE1-ND1 3.02Å; W183-V223 HydrophobicContact CH2-CG2 3.95Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; W183-A239 HydrophobicContact CZ3-CB 4.28Å; W183-Y240 HydrophobicContact CH2-CD2 4.02Å; W183-V243 HydrophobicContact CE3-CG2 4.21Å; W183-V243 HydrophobicContact CZ3-CB 4.41Å; W183-V243 HydrophobicContact CZ3-CG2 4.15Å; W183-F388 AromaticContact CD1-CD2 3.76Å; W183-F388 AromaticContact CD1-CE2 3.68Å; W183-F388 AromaticContact NE1-CD2 3.61Å; W183-F388 AromaticContact NE1-CE2 3.82Å
184I96Very high95.6Very high2 Ų232.1 Ų32.11%0.0116%0.161CC..Hα-helixtrans-59.8-40.5178.3-70.5166.6000110.5L134 E137 L138 Y180 Y181 V187 K188 A385 F388L134-I184 HydrophobicContact CD2-CD1 4.21Å; L134-I184 HydrophobicContact CG-CD1 4.18Å; E137-I184 HydrophobicContact CB-CG2 4.07Å; L138-I184 HydrophobicContact CD2-CD1 4.32Å; Y180-I184 WeakPolarHBondContact O-CB 3.36Å; Y180-I184 VanDerWaalsContact O-CG1 3.28Å; Y180-I184 WeakPolarHBondContact O-CG1 3.32Å; Y180-I184 PolarHBondContact O-N 2.7Å; Y181-I184 PolarHBondContact O-N 2.93Å; I184-V187 PolarHBondContact O-N 2.68Å; I184-K188 HydrophobicContact CG2-CD 4.3Å; I184-K188 WeakPolarHBondContact O-CG 3.43Å; I184-K188 PolarHBondContact O-N 3.39Å; I184-K188 VanDerWaalsContact O-N 3.08Å; I184-A385 HydrophobicContact CG2-CB 3.79Å; I184-F388 HydrophobicContact CD1-CD1 3.94Å; I184-F388 HydrophobicContact CD1-CE1 4.34Å; I184-F388 HydrophobicContact CG1-CD1 3.99Å; I184-F388 HydrophobicContact CG1-CE1 4.49Å
185K95.4Very high95.7Very high47 Ų4730.7 Ų30.720%0.20415%0.154CC..Hα-helixtrans-64.8-41.2177-16663.1165.9-173.90112E137 Y181 M182 W183 T189 W194E137-K185 IonicContact OE1-NZ 2.59Å; E137-K185 PolarHBondContact OE1-NZ 2.77Å; Y181-K185 WeakPolarHBondContact O-CB 3.05Å; Y181-K185 PolarHBondContact O-N 3.4Å; M182-K185 PolarHBondContact O-N 3.05Å; W183-K185 VanDerWaalsContact C-N 3.25Å; W183-K185 PolarHBondContact O-N 3.36Å; K185-T189 VanDerWaalsContact O-CB 3.29Å; K185-T189 WeakPolarHBondContact O-CB 3.45Å; K185-T189 PolarHBondContact O-N 3.01Å; K185-T189 PolarHBondContact O-OG1 3.4Å; K185-W194 HydrophobicContact CB-CD2 4.4Å; K185-W194 HydrophobicContact CB-CE3 4.33Å; K185-W194 HydrophobicContact CG-CD2 3.59Å; K185-W194 HydrophobicContact CG-CE3 3.78Å; K185-W194 HydrophobicContact CG-CG 4Å; K185-W194 HydrophobicContact CG-CH2 4.36Å; K185-W194 HydrophobicContact CG-CZ2 4.19Å; K185-W194 HydrophobicContact CG-CZ3 4.16Å
186A95.8Very high95.7Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-63.7-45.8176.100000111.7M182 W183 K188 T189 G190 W194 A239M182-A186 VanDerWaalsContact O-CB 3.3Å; M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 2.95Å; W183-A186 WeakPolarHBondContact O-CB 3.36Å; W183-A186 PolarHBondContact O-N 3.4Å; W183-A186 VanDerWaalsContact O-N 3.13Å; A186-K188 PolarHBondContact O-N 3.34Å; A186-T189 PolarHBondContact O-N 2.87Å; A186-G190 WeakPolarHBondContact O-CA 3.4Å; A186-G190 PolarHBondContact O-N 3.03Å; A186-W194 HydrophobicContact CB-CB 3.99Å; A186-A239 HydrophobicContact CB-CB 4.14Å
187V95Very high95.8Very high1 Ų135.2 Ų35.21%0.00618%0.18CC..Hα-helixtrans-62-43178.3171.40000111.8W183 I184 I236 D384W183-V187 HydrophobicContact CD2-CG2 3.99Å; W183-V187 HydrophobicContact CE3-CG2 4.41Å; W183-V187 HydrophobicContact CH2-CG2 4.03Å; W183-V187 HydrophobicContact CZ2-CG2 3.57Å; W183-V187 HydrophobicContact CZ3-CG2 4.43Å; W183-V187 WeakPolarHBondContact O-CG2 3.42Å; W183-V187 PolarHBondContact O-N 3.31Å; I184-V187 PolarHBondContact O-N 2.68Å; V187-I236 HydrophobicContact CG1-CG1 4.24Å; V187-D384 HydrophobicContact CG1-CB 4.13Å
188K93.5Very high95.8Very high69 Ų6935.2 Ų35.230%0.318%0.18SC..Hα-helixtrans-67.7-45.8179-76178.1165.4-156.10113.1E137 I184 A186 R235E137-K188 WeakPolarHBondContact O-CE 3.28Å; E137-K188 PolarHBondContact O-NZ 2.95Å; E137-K188 WeakPolarHBondContact OE2-CD 3.39Å; E137-K188 IonicContact OE2-NZ 2.77Å; E137-K188 PolarHBondContact OE2-NZ 2.88Å; I184-K188 HydrophobicContact CG2-CD 4.3Å; I184-K188 WeakPolarHBondContact O-CG 3.43Å; I184-K188 PolarHBondContact O-N 3.39Å; I184-K188 VanDerWaalsContact O-N 3.08Å; A186-K188 PolarHBondContact O-N 3.34Å; K188-R235 PolarHBondContact O-NH1 3.36Å
189T93.4Very high95.8Very high71 Ų7133.4 Ų33.444%0.43617%0.17SC..Hα-helixtrans-82.6-35.9-172.6-45.60000111.7K185 A186K185-T189 VanDerWaalsContact O-CB 3.29Å; K185-T189 WeakPolarHBondContact O-CB 3.45Å; K185-T189 PolarHBondContact O-N 3.01Å; K185-T189 PolarHBondContact O-OG1 3.4Å; A186-T189 PolarHBondContact O-N 2.87Å
190G91.9Very high95.8Very high20 Ų2037.5 Ų37.521%0.20619%0.192CC..  trans71.529.4-174.500000114.2A186A186-G190 WeakPolarHBondContact O-CA 3.4Å; A186-G190 PolarHBondContact O-N 3.03Å
191S93.7Very high95.8Very high42 Ų4238 Ų3829%0.29420%0.196SC..  trans-104.2139.7-176.31780000112.5Y193 W194 S195S191-Y193 VanDerWaalsContact C-N 3.25Å; S191-Y193 PolarHBondContact O-N 3.47Å; S191-Y193 PolarHBondContact OG-N 3.36Å; S191-W194 PolarHBondContact O-N 3.1Å; S191-S195 PolarHBondContact O-N 2.96Å; S191-S195 PolarHBondContact O-OG 3.36Å
192V95.5Very high95.7Very high80 Ų8036.4 Ų36.449%0.48519%0.19SC..Hα-helixtrans-62.4-32.9174179.90000111.5S195 S196 V238 T242V192-S195 PolarHBondContact O-N 3.11Å; V192-S196 WeakPolarHBondContact O-CB 3.36Å; V192-S196 PolarHBondContact O-N 3.19Å; V192-S196 PolarHBondContact O-OG 3.47Å; V192-V238 HydrophobicContact CG2-CG1 3.71Å; V192-T242 HydrophobicContact CG1-CG2 4.03Å
193Y96.6Very high95.7Very high139 Ų13937.6 Ų37.655%0.54519%0.194SC..Hα-helixtrans-60-53.9178.1172.1-99000111.7S191 S195 S196 M197S191-Y193 VanDerWaalsContact C-N 3.25Å; S191-Y193 PolarHBondContact O-N 3.47Å; S191-Y193 PolarHBondContact OG-N 3.36Å; Y193-S195 PolarHBondContact O-N 2.97Å; Y193-S196 PolarHBondContact O-N 3.2Å; Y193-M197 HydrophobicContact CE1-CG 4.18Å; Y193-M197 HydrophobicContact CE2-CE 4.14Å; Y193-M197 HydrophobicContact CE2-CG 4.24Å; Y193-M197 WeakPolarHBondContact O-CG 3.25Å; Y193-M197 PolarHBondContact O-N 3.24Å
194W96.4Very high95.7Very high64 Ų6440.2 Ų40.224%0.24220%0.204CC..Hα-helixtrans-63.7-32.9178.3-70.6113.4000112.2M182 K185 A186 S191 C198M182-W194 HydrophobicContact CE-CZ3 4.42Å; M182-W194 HydrophobicContact SD-CE3 3.73Å; M182-W194 HydrophobicContact SD-CZ3 3.69Å; K185-W194 HydrophobicContact CB-CD2 4.4Å; K185-W194 HydrophobicContact CB-CE3 4.33Å; K185-W194 HydrophobicContact CG-CD2 3.59Å; K185-W194 HydrophobicContact CG-CE3 3.78Å; K185-W194 HydrophobicContact CG-CG 4Å; K185-W194 HydrophobicContact CG-CH2 4.36Å; K185-W194 HydrophobicContact CG-CZ2 4.19Å; K185-W194 HydrophobicContact CG-CZ3 4.16Å; A186-W194 HydrophobicContact CB-CB 3.99Å; S191-W194 PolarHBondContact O-N 3.1Å; W194-C198 WeakPolarHBondContact O-CB 3.47Å; W194-C198 PolarHBondContact O-N 2.89Å
195S96.3Very high95.6Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-69.1-38.2176.3-510000112S191 V192 Y193 C198 A199 A239 V243S191-S195 PolarHBondContact O-N 2.96Å; S191-S195 PolarHBondContact O-OG 3.36Å; V192-S195 PolarHBondContact O-N 3.11Å; Y193-S195 PolarHBondContact O-N 2.97Å; S195-C198 WeakPolarHBondContact O-CB 3.49Å; S195-C198 PolarHBondContact O-N 3.32Å; S195-A199 PolarHBondContact O-N 2.77Å; S195-A239 WeakPolarHBondContact OG-CA 3.42Å; S195-V243 WeakPolarHBondContact O-CG2 3.37Å
196S96.9Very high95.7Very high33 Ų3338 Ų3823%0.23119%0.194CC..Hα-helixtrans-69.6-41.4175.6-54.40000111.3V192 Y193 C198 A199 L200V192-S196 WeakPolarHBondContact O-CB 3.36Å; V192-S196 PolarHBondContact O-N 3.19Å; V192-S196 PolarHBondContact O-OG 3.47Å; Y193-S196 PolarHBondContact O-N 3.2Å; S196-C198 VanDerWaalsContact C-N 3.29Å; S196-C198 PolarHBondContact O-N 3.07Å; S196-A199 WeakPolarHBondContact O-CB 3.5Å; S196-A199 PolarHBondContact O-N 3.4Å; S196-A199 VanDerWaalsContact O-N 3.15Å; S196-L200 WeakPolarHBondContact O-CG 3.19Å; S196-L200 PolarHBondContact O-N 2.83Å
197M96.6Very high95.6Very high63 Ų6338.5 Ų38.531%0.3120%0.198SC..Hα-helixtrans-62.5-37.2172.2-68.2-62.8123.200112M182 Y193 L200 A201M182-M197 HydrophobicContact SD-CB 4.33Å; Y193-M197 HydrophobicContact CE1-CG 4.18Å; Y193-M197 HydrophobicContact CE2-CE 4.14Å; Y193-M197 HydrophobicContact CE2-CG 4.24Å; Y193-M197 WeakPolarHBondContact O-CG 3.25Å; Y193-M197 PolarHBondContact O-N 3.24Å; M197-L200 HydrophobicContact CE-CD1 3.78Å; M197-L200 PolarHBondContact O-N 2.95Å; M197-L200 HydrophobicContact SD-CD1 4.2Å; M197-A201 WeakPolarHBondContact O-CB 3.24Å; M197-A201 PolarHBondContact O-N 3.33Å
198C97Very high95.5Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-63-40.7172.2-173.10000111.9M182 W194 S195 S196 A201 Y202 V243M182-C198 HydrophobicContact CB-CB 3.72Å; W194-C198 WeakPolarHBondContact O-CB 3.47Å; W194-C198 PolarHBondContact O-N 2.89Å; S195-C198 WeakPolarHBondContact O-CB 3.49Å; S195-C198 PolarHBondContact O-N 3.32Å; S196-C198 VanDerWaalsContact C-N 3.29Å; S196-C198 PolarHBondContact O-N 3.07Å; C198-A201 PolarHBondContact O-N 2.94Å; C198-Y202 WeakPolarHBondContact O-CB 3.42Å; C198-Y202 PolarHBondContact O-N 3.48Å; C198-V243 HydrophobicContact CB-CG2 3.95Å
199A96.8Very high95.5Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-65.9-37.5176.200000112.5S195 S196 Y202 F203 L246 L250S195-A199 PolarHBondContact O-N 2.77Å; S196-A199 WeakPolarHBondContact O-CB 3.5Å; S196-A199 PolarHBondContact O-N 3.4Å; S196-A199 VanDerWaalsContact O-N 3.15Å; A199-Y202 PolarHBondContact O-N 3.26Å; A199-F203 PolarHBondContact O-N 2.86Å; A199-L246 HydrophobicContact CB-CB 3.56Å; A199-L246 HydrophobicContact CB-CD1 4.33Å; A199-L250 HydrophobicContact CB-CD1 4.46Å
200L96.8Very high95.3Very high87 Ų8734.3 Ų34.346%0.45518%0.178SC..Hα-helixtrans-67.4-42173.7-68.5173.3000112.2S196 M197 Y202 F203 Y204 L250S196-L200 WeakPolarHBondContact O-CG 3.19Å; S196-L200 PolarHBondContact O-N 2.83Å; M197-L200 HydrophobicContact CE-CD1 3.78Å; M197-L200 PolarHBondContact O-N 2.95Å; M197-L200 HydrophobicContact SD-CD1 4.2Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.47Å; L200-F203 WeakPolarHBondContact O-CB 3.39Å; L200-F203 PolarHBondContact O-N 2.93Å; L200-Y204 PolarHBondContact O-N 3.47Å; L200-L250 HydrophobicContact CD2-CD1 4.13Å
201A96.4Very high95Very high9 Ų933.8 Ų33.87%0.07417%0.173CC..Hα-helixtrans-62.7-39.7173.500000111.6L178 T179 M197 C198 Y204 M205L178-A201 HydrophobicContact CD2-CB 4.28Å; L178-A201 HydrophobicContact CG-CB 4.24Å; T179-A201 PolarHBondContact OG1-O 3.44Å; M197-A201 WeakPolarHBondContact O-CB 3.24Å; M197-A201 PolarHBondContact O-N 3.33Å; C198-A201 PolarHBondContact O-N 2.94Å; A201-Y204 PolarHBondContact O-N 3.32Å; A201-M205 PolarHBondContact O-N 2.84Å
202Y96.6Very high95Very high5 Ų531.9 Ų31.92%0.0216%0.159CC..Hα-helixtrans-63.6-43.4173.4175.2-104.5000111.9C198 A199 L200 Y204 M205 V206 Y212 L215 I216C198-Y202 WeakPolarHBondContact O-CB 3.42Å; C198-Y202 PolarHBondContact O-N 3.48Å; A199-Y202 PolarHBondContact O-N 3.26Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.47Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 PolarHBondContact O-N 3.35Å; Y202-M205 WeakPolarHBondContact O-CA 3.32Å; Y202-M205 VanDerWaalsContact O-CB 3.32Å; Y202-M205 WeakPolarHBondContact O-CB 3.06Å; Y202-M205 PolarHBondContact O-N 3.14Å; Y202-M205 VanDerWaalsContact O-N 3.12Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.34Å; Y202-V206 HydrophobicContact CE1-CG2 3.61Å; Y202-V206 HydrophobicContact CE2-CG2 3.95Å; Y202-V206 HydrophobicContact CG-CG2 4.39Å; Y202-V206 VanDerWaalsContact O-CG2 3.26Å; Y202-V206 WeakPolarHBondContact O-CG2 3.48Å; Y202-V206 PolarHBondContact O-N 3.49Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.21Å; Y202-L215 HydrophobicContact CD2-CD1 4.27Å; Y202-L215 HydrophobicContact CD2-CD2 3.97Å; Y202-L215 HydrophobicContact CD2-CG 4.5Å; Y202-L215 HydrophobicContact CE2-CB 4.42Å; Y202-L215 HydrophobicContact CE2-CD2 4.37Å; Y202-I216 HydrophobicContact CE2-CB 4.18Å; Y202-I216 HydrophobicContact CE2-CD1 4.4Å; Y202-I216 WeakPolarHBondContact OH-CB 3.49Å
203F96.8Very high94.8Very high56 Ų5628.3 Ų28.325%0.24614%0.137CC..Hα-helixtrans-58-44.7174171.3-113000112A199 L200 M205 V206 S207 L250 Q253 I254A199-F203 PolarHBondContact O-N 2.86Å; L200-F203 WeakPolarHBondContact O-CB 3.39Å; L200-F203 PolarHBondContact O-N 2.93Å; F203-M205 VanDerWaalsContact C-N 3.3Å; F203-M205 PolarHBondContact O-N 3.37Å; F203-V206 PolarHBondContact O-N 2.89Å; F203-S207 PolarHBondContact O-N 3.06Å; F203-L250 HydrophobicContact CB-CB 3.86Å; F203-L250 HydrophobicContact CB-CD1 4.05Å; F203-L250 HydrophobicContact CB-CG 4.48Å; F203-L250 HydrophobicContact CD2-CB 3.7Å; F203-L250 VanDerWaalsContact CD2-O 3.25Å; F203-L250 WeakPolarHBondContact CD2-O 3.34Å; F203-L250 VanDerWaalsContact CE2-O 3.29Å; F203-L250 WeakPolarHBondContact CE2-O 3.17Å; F203-L250 HydrophobicContact CG-CB 3.96Å; F203-Q253 HydrophobicContact CE2-CB 4.44Å; F203-I254 HydrophobicContact CE2-CD1 3.64Å; F203-I254 HydrophobicContact CE2-CG1 4Å; F203-I254 HydrophobicContact CZ-CD1 4.01Å
204Y96.1Very high94.6Very high57 Ų5723.3 Ų23.322%0.22412%0.119CC..Hα-helixtrans-61.7-39.9175.7-176.8-131.9000112T95 I171 F174 C175 L200 A201 Y202 S207 S208T95-Y204 PolarHBondContact OG1-OH 3.02Å; I171-Y204 WeakPolarHBondContact CD1-OH 3.25Å; F174-Y204 HydrophobicContact CD1-CE1 4.48Å; F174-Y204 HydrophobicContact CE1-CE1 4.3Å; C175-Y204 HydrophobicContact CB-CD1 4.25Å; C175-Y204 WeakPolarHBondContact SG-CD1 3.49Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.39Å; L200-Y204 PolarHBondContact O-N 3.47Å; A201-Y204 PolarHBondContact O-N 3.32Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-N 3.39Å; Y204-S207 PolarHBondContact O-OG 2.81Å; Y204-S208 WeakPolarHBondContact O-CB 3.3Å; Y204-S208 PolarHBondContact O-N 2.94Å; Y204-S208 VanDerWaalsContact O-N 3.12Å; Y204-S208 PolarHBondContact O-OG 3.47Å
205M95.3Very high94.4Very high1 Ų120.3 Ų20.31%0.00511%0.107CC..Hα-helixtrans-61.2-47.7172.9-178.161.8175.800112.5A172 C175 M176 A201 Y202 F203 S207 S208 W209 L215A172-M205 HydrophobicContact CB-CE 4.42Å; A172-M205 HydrophobicContact CB-SD 4.48Å; A172-M205 VanDerWaalsContact O-SD 3.39Å; C175-M205 HydrophobicContact CB-CB 4.01Å; C175-M205 HydrophobicContact CB-CG 4.39Å; C175-M205 HydrophobicContact CB-SD 3.51Å; C175-M205 VanDerWaalsContact CB-SD 3.51Å; M176-M205 HydrophobicContact CB-CE 3.84Å; M176-M205 HydrophobicContact CB-SD 4.23Å; M176-M205 HydrophobicContact CG-CE 4.44Å; A201-M205 PolarHBondContact O-N 2.84Å; Y202-M205 WeakPolarHBondContact O-CA 3.32Å; Y202-M205 VanDerWaalsContact O-CB 3.32Å; Y202-M205 WeakPolarHBondContact O-CB 3.06Å; Y202-M205 PolarHBondContact O-N 3.14Å; Y202-M205 VanDerWaalsContact O-N 3.12Å; F203-M205 VanDerWaalsContact C-N 3.3Å; F203-M205 PolarHBondContact O-N 3.37Å; M205-S207 VanDerWaalsContact C-N 3.26Å; M205-S207 PolarHBondContact O-N 3.16Å; M205-S208 PolarHBondContact O-N 2.66Å; M205-W209 HydrophobicContact CE-CE3 3.52Å; M205-W209 HydrophobicContact CE-CZ3 4.13Å; M205-W209 PolarHBondContact O-N 3.33Å; M205-L215 HydrophobicContact CG-CD1 4.03Å
206V95.7Very high94.3Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-58.6-40.6176.7176.40000110.8Y89 Y202 F203 S208 Y212 I254 V257Y89-V206 WeakPolarHBondContact CD1-O 3.44Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.34Å; Y202-V206 HydrophobicContact CE1-CG2 3.61Å; Y202-V206 HydrophobicContact CE2-CG2 3.95Å; Y202-V206 HydrophobicContact CG-CG2 4.39Å; Y202-V206 VanDerWaalsContact O-CG2 3.26Å; Y202-V206 WeakPolarHBondContact O-CG2 3.48Å; Y202-V206 PolarHBondContact O-N 3.49Å; F203-V206 PolarHBondContact O-N 2.89Å; V206-S208 PolarHBondContact O-N 3.25Å; V206-Y212 HydrophobicContact CB-CG 4.24Å; V206-Y212 HydrophobicContact CG1-CD1 4.26Å; V206-Y212 HydrophobicContact CG1-CD2 4.38Å; V206-Y212 HydrophobicContact CG1-CE1 4.48Å; V206-Y212 HydrophobicContact CG1-CG 4.23Å; V206-Y212 HydrophobicContact CG2-CD2 3.8Å; V206-Y212 HydrophobicContact CG2-CG 3.76Å; V206-I254 HydrophobicContact CG1-CG1 4.11Å; V206-V257 HydrophobicContact CG1-CG2 3.88Å
207S94.7Very high94.1Very high11 Ų1121.5 Ų21.58%0.07711%0.111CC..Hα-helixtrans-69.7-21.3177.477.40000113.5Y89 G91 F203 Y204 M205Y89-S207 CarbonylContact C-O 3.57Å; Y89-S207 WeakPolarHBondContact CB-O 3.48Å; G91-S207 VanDerWaalsContact CA-O 3.28Å; G91-S207 WeakPolarHBondContact CA-O 3.25Å; G91-S207 PolarHBondContact N-O 2.87Å; F203-S207 PolarHBondContact O-N 3.06Å; Y204-S207 PolarHBondContact O-N 3.39Å; Y204-S207 PolarHBondContact O-OG 2.81Å; M205-S207 VanDerWaalsContact C-N 3.26Å; M205-S207 PolarHBondContact O-N 3.16Å
208S92.9Very high94Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-98-40.2-172.2-59.80000113.4Y204 M205 V206Y204-S208 WeakPolarHBondContact O-CB 3.3Å; Y204-S208 PolarHBondContact O-N 2.94Å; Y204-S208 VanDerWaalsContact O-N 3.12Å; Y204-S208 PolarHBondContact O-OG 3.47Å; M205-S208 PolarHBondContact O-N 2.66Å; V206-S208 PolarHBondContact O-N 3.25Å
209W93.4Very high93.9Very high34 Ų3418.9 Ų18.913%0.12910%0.098CC..  trans-152.4143.4-173.1-174.358.8000113.5E169 A172 M205 G211 Y212 V409E169-W209 PolarHBondContact OE1-NE1 3.01Å; A172-W209 HydrophobicContact CB-CB 3.49Å; A172-W209 VanDerWaalsContact CB-CB 3.49Å; A172-W209 HydrophobicContact CB-CD2 3.84Å; A172-W209 HydrophobicContact CB-CE3 3.81Å; A172-W209 HydrophobicContact CB-CG 3.73Å; M205-W209 HydrophobicContact CE-CE3 3.52Å; M205-W209 HydrophobicContact CE-CZ3 4.13Å; M205-W209 PolarHBondContact O-N 3.33Å; W209-G211 VanDerWaalsContact CE3-CA 3.4Å; W209-G211 PolarHBondContact O-N 2.81Å; W209-G211 VanDerWaalsContact O-N 3.09Å; W209-Y212 WeakPolarHBondContact O-CD1 3.3Å; W209-Y212 PolarHBondContact O-N 2.96Å; W209-V409 HydrophobicContact CH2-CG2 3.72Å; W209-V409 HydrophobicContact CZ3-CG2 4.17Å
210G88.1Confident93.8Very high19 Ų1918.9 Ų18.920%0.19610%0.098CC..THydrogen-bonded Turntrans-63.9-12.5178.500000115.2Y89 Y212Y89-G210 WeakPolarHBondContact OH-CA 3.36Å; G210-Y212 PolarHBondContact O-N 3.11Å; G210-Y212 VanDerWaalsContact O-N 3.13Å
211G86.7Confident93.7Very high9 Ų917.6 Ų17.69%0.0939%0.091CC..THydrogen-bonded Turntrans-72.25.8174.100000114.8W209 V213 F214W209-G211 VanDerWaalsContact CE3-CA 3.4Å; W209-G211 PolarHBondContact O-N 2.81Å; W209-G211 VanDerWaalsContact O-N 3.09Å; G211-V213 PolarHBondContact O-N 2.84Å; G211-F214 VanDerWaalsContact O-CB 3.3Å; G211-F214 WeakPolarHBondContact O-CB 3.46Å; G211-F214 PolarHBondContact O-N 3.39Å
212Y93.4Very high93.7Very high2 Ų217.2 Ų17.21%0.0089%0.088CC..Hα-helixtrans-56.9-28.1169.376.8-91.1000112.6Y89 Y202 V206 W209 G210 F214 L215 I216 V257 H267Y89-Y212 HydrophobicContact CE1-CD1 4.45Å; Y89-Y212 HydrophobicContact CE1-CE1 4.11Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.21Å; V206-Y212 HydrophobicContact CB-CG 4.24Å; V206-Y212 HydrophobicContact CG1-CD1 4.26Å; V206-Y212 HydrophobicContact CG1-CD2 4.38Å; V206-Y212 HydrophobicContact CG1-CE1 4.48Å; V206-Y212 HydrophobicContact CG1-CG 4.23Å; V206-Y212 HydrophobicContact CG2-CD2 3.8Å; V206-Y212 HydrophobicContact CG2-CG 3.76Å; W209-Y212 WeakPolarHBondContact O-CD1 3.3Å; W209-Y212 PolarHBondContact O-N 2.96Å; G210-Y212 PolarHBondContact O-N 3.11Å; G210-Y212 VanDerWaalsContact O-N 3.13Å; Y212-F214 VanDerWaalsContact C-N 3.26Å; Y212-F214 PolarHBondContact O-N 2.95Å; Y212-L215 WeakPolarHBondContact O-CB 3.47Å; Y212-L215 PolarHBondContact O-N 2.66Å; Y212-I216 PolarHBondContact O-N 3.28Å; Y212-V257 HydrophobicContact CE1-CG2 4.2Å; Y212-H267 AromaticContact CE2-NE2 3.32Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.32Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.35Å
213V91.9Very high93.6Very high5 Ų517 Ų173%0.039%0.087CC..Hα-helixtrans-60.2-35.1173.8179.50000111.8G211 I216 N217 E266 F330G211-V213 PolarHBondContact O-N 2.84Å; V213-I216 WeakPolarHBondContact O-CG2 3.48Å; V213-N217 WeakPolarHBondContact O-CB 3.39Å; V213-N217 PolarHBondContact O-N 3.01Å; V213-N217 PolarHBondContact O-ND2 2.99Å; V213-E266 HydrophobicContact CG1-CB 3.97Å; V213-E266 HydrophobicContact CG1-CG 4.49Å; V213-F330 HydrophobicContact CB-CE1 4.01Å; V213-F330 HydrophobicContact CB-CE2 4.38Å; V213-F330 HydrophobicContact CB-CZ 3.71Å; V213-F330 HydrophobicContact CG1-CD1 4.42Å; V213-F330 HydrophobicContact CG1-CE1 3.97Å; V213-F330 HydrophobicContact CG1-CE2 4.4Å; V213-F330 HydrophobicContact CG1-CZ 3.96Å; V213-F330 HydrophobicContact CG2-CE2 4.13Å; V213-F330 HydrophobicContact CG2-CZ 3.83Å
214F91.8Very high93.5Very high35 Ų3517 Ų1715%0.1549%0.089CC..Hα-helixtrans-65.1-42.4173.9175.6-105.3000111.2Y180 G211 Y212 N217 L218 Y392 T395 F399 V409Y180-F214 WeakPolarHBondContact OH-CD1 3.49Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.29Å; G211-F214 VanDerWaalsContact O-CB 3.3Å; G211-F214 WeakPolarHBondContact O-CB 3.46Å; G211-F214 PolarHBondContact O-N 3.39Å; Y212-F214 VanDerWaalsContact C-N 3.26Å; Y212-F214 PolarHBondContact O-N 2.95Å; F214-N217 PolarHBondContact O-N 3.32Å; F214-L218 HydrophobicContact CE1-CD2 4.18Å; F214-L218 HydrophobicContact CZ-CD2 4.29Å; F214-L218 WeakPolarHBondContact O-CB 3.2Å; F214-L218 PolarHBondContact O-N 3.11Å; F214-Y392 AromaticContact CE1-CD2 3.97Å; F214-Y392 HydrophobicContact CE1-CD2 3.97Å; F214-Y392 AromaticContact CE1-CE2 3.69Å; F214-Y392 HydrophobicContact CE1-CE2 3.69Å; F214-Y392 AromaticContact CZ-CD2 3.89Å; F214-Y392 HydrophobicContact CZ-CD2 3.89Å; F214-Y392 AromaticContact CZ-CE2 3.91Å; F214-Y392 HydrophobicContact CZ-CE2 3.91Å; F214-T395 HydrophobicContact CE2-CG2 3.95Å; F214-F399 HydrophobicContact CD2-CD2 4.24Å; F214-F399 HydrophobicContact CD2-CE2 4.23Å; F214-F399 AromaticContact CE2-CD2 3.91Å; F214-F399 HydrophobicContact CE2-CD2 3.91Å; F214-F399 HydrophobicContact CE2-CE2 4.13Å; F214-V409 HydrophobicContact CD1-CG1 4.14Å; F214-V409 HydrophobicContact CE1-CG1 3.7Å; F214-V409 HydrophobicContact CZ-CG1 4.11Å
215L93.1Very high93.3Very high1 Ų115.7 Ų15.71%0.0059%0.087CC..Hα-helixtrans-66-48-178-152.9164.4000111.5T179 Y180 Y202 M205 Y212 N217 L218 I219T179-L215 HydrophobicContact CG2-CD1 3.66Å; T179-L215 HydrophobicContact CG2-CD2 3.78Å; T179-L215 HydrophobicContact CG2-CG 4.33Å; Y180-L215 HydrophobicContact CD1-CG 4.46Å; Y180-L215 HydrophobicContact CE1-CD1 4.37Å; Y180-L215 HydrophobicContact CE1-CD2 4.14Å; Y180-L215 HydrophobicContact CE1-CG 3.72Å; Y202-L215 HydrophobicContact CD2-CD1 4.27Å; Y202-L215 HydrophobicContact CD2-CD2 3.97Å; Y202-L215 HydrophobicContact CD2-CG 4.5Å; Y202-L215 HydrophobicContact CE2-CB 4.42Å; Y202-L215 HydrophobicContact CE2-CD2 4.37Å; M205-L215 HydrophobicContact CG-CD1 4.03Å; Y212-L215 WeakPolarHBondContact O-CB 3.47Å; Y212-L215 PolarHBondContact O-N 2.66Å; L215-N217 PolarHBondContact O-N 3.07Å; L215-L218 PolarHBondContact O-N 3.18Å; L215-I219 HydrophobicContact CD2-CD1 3.33Å; L215-I219 HydrophobicContact CD2-CG1 3.95Å; L215-I219 PolarHBondContact O-N 2.89Å; L215-I219 VanDerWaalsContact O-N 3.12Å
216I92.8Very high93.2Very high15 Ų1515.6 Ų15.68%0.0779%0.087CC..Hα-helixtrans-70.7-16-179.1-159.558000113.1Y202 Y212 V213 P220 A270Y202-I216 HydrophobicContact CE2-CB 4.18Å; Y202-I216 HydrophobicContact CE2-CD1 4.4Å; Y202-I216 WeakPolarHBondContact OH-CB 3.49Å; Y212-I216 PolarHBondContact O-N 3.28Å; V213-I216 WeakPolarHBondContact O-CG2 3.48Å; I216-P220 WeakPolarHBondContact O-CD 3.1Å; I216-P220 WeakPolarHBondContact O-CG 3.45Å; I216-A270 HydrophobicContact CD1-CB 4.26Å; I216-A270 HydrophobicContact CG1-CB 3.99Å
217N93.4Very high92.9Very high43 Ų4316.6 Ų16.623%0.239%0.092CC..Hα-helixtrans-91-31.5171.4-79.8-58.2000112.7V213 F214 L215 L221 E266 A269V213-N217 WeakPolarHBondContact O-CB 3.39Å; V213-N217 PolarHBondContact O-N 3.01Å; V213-N217 PolarHBondContact O-ND2 2.99Å; F214-N217 PolarHBondContact O-N 3.32Å; L215-N217 PolarHBondContact O-N 3.07Å; N217-L221 VanDerWaalsContact O-CB 3.26Å; N217-L221 WeakPolarHBondContact O-CB 3.32Å; N217-L221 PolarHBondContact O-N 3.16Å; N217-E266 PolarHBondContact ND2-O 3.07Å; N217-E266 PolarHBondContact OD1-O 3.49Å; N217-A269 WeakPolarHBondContact OD1-CB 3.5Å
218L94.9Very high92.7Very high3 Ų322.8 Ų22.82%0.01612%0.123CC..Hα-helixtrans-73.2-39.9179.4-173.465.8000113.1Y180 F214 L215 L221 H222 F388 M391 Y392Y180-L218 HydrophobicContact CE1-CD2 4.05Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.2Å; F214-L218 HydrophobicContact CE1-CD2 4.18Å; F214-L218 HydrophobicContact CZ-CD2 4.29Å; F214-L218 WeakPolarHBondContact O-CB 3.2Å; F214-L218 PolarHBondContact O-N 3.11Å; L215-L218 PolarHBondContact O-N 3.18Å; L218-L221 PolarHBondContact O-N 3.38Å; L218-H222 WeakPolarHBondContact O-CB 3.26Å; L218-H222 PolarHBondContact O-N 3.21Å; L218-F388 HydrophobicContact CD2-CE2 4.09Å; L218-F388 HydrophobicContact CD2-CZ 3.95Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.43Å; L218-M391 HydrophobicContact CD1-CB 4.26Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 3.88Å
219I95.3Very high92.6Very high4 Ų426.3 Ų26.32%0.02115%0.145CC..Hα-helixtrans-61.5-51.5178.6-70.5177.6000111.6W183 L215 L221 H222 V223 Y240W183-I219 HydrophobicContact CD2-CD1 4.21Å; W183-I219 HydrophobicContact CD2-CG1 4.26Å; W183-I219 HydrophobicContact CD2-CG2 4.11Å; W183-I219 HydrophobicContact CE3-CD1 4.33Å; W183-I219 HydrophobicContact CE3-CG2 4.1Å; W183-I219 HydrophobicContact CG-CD1 4.32Å; W183-I219 HydrophobicContact CG-CG1 4.36Å; W183-I219 HydrophobicContact CH2-CG2 3.64Å; W183-I219 HydrophobicContact CZ2-CG2 3.64Å; W183-I219 HydrophobicContact CZ3-CG2 3.86Å; L215-I219 HydrophobicContact CD2-CD1 3.33Å; L215-I219 HydrophobicContact CD2-CG1 3.95Å; L215-I219 PolarHBondContact O-N 2.89Å; L215-I219 VanDerWaalsContact O-N 3.12Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.01Å; I219-H222 WeakPolarHBondContact O-CB 3.29Å; I219-H222 PolarHBondContact O-N 3.16Å; I219-V223 WeakPolarHBondContact O-CG2 3.27Å; I219-V223 PolarHBondContact O-N 3.32Å; I219-V223 VanDerWaalsContact O-N 3.07Å; I219-Y240 HydrophobicContact CG2-CD2 3.84Å; I219-Y240 HydrophobicContact CG2-CE2 3.93Å
220P94.7Very high92.3Very high0 Ų027.8 Ų27.80%017%0.171CC..Hα-helixtrans-62.3-39.1176.1-2232.6000112.8I216 H222 V223 L224 Y240 A270 V273I216-P220 WeakPolarHBondContact O-CD 3.1Å; I216-P220 WeakPolarHBondContact O-CG 3.45Å; P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.87Å; P220-V223 PolarHBondContact O-N 3.46Å; P220-V223 VanDerWaalsContact O-N 3.16Å; P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 PolarHBondContact O-N 3.43Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 HydrophobicContact CG-CE2 4.02Å; P220-Y240 WeakPolarHBondContact CG-OH 3.34Å; P220-A270 VanDerWaalsContact CG-CA 3.49Å; P220-A270 HydrophobicContact CG-CB 3.64Å; P220-V273 HydrophobicContact CB-CB 3.87Å; P220-V273 HydrophobicContact CB-CG1 4.2Å; P220-V273 HydrophobicContact CB-CG2 3.77Å
221L94.6Very high92.4Very high60 Ų6031.4 Ų31.431%0.31418%0.179SC..Hα-helixtrans-59.7-41.8176.1179.661.7000111.2N217 L218 I219 L224 V225 M391N217-L221 VanDerWaalsContact O-CB 3.26Å; N217-L221 WeakPolarHBondContact O-CB 3.32Å; N217-L221 PolarHBondContact O-N 3.16Å; L218-L221 PolarHBondContact O-N 3.38Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.01Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 2.99Å; L221-M391 HydrophobicContact CD1-CE 4.26Å; L221-M391 HydrophobicContact CD2-CE 3.53Å; L221-M391 HydrophobicContact CG-CE 3.77Å
222H95.4Very high92.6Very high1 Ų132.6 Ų32.61%0.00518%0.182CC..Hα-helixtrans-61.2-45.4173.4169.4-128.7000112.4W183 L218 I219 P220 L224 V225 L226 D384 F388W183-H222 AromaticContact CE2-ND1 3.8Å; W183-H222 AromaticContact CZ2-ND1 3.77Å; W183-H222 AromaticContact NE1-CE1 3.81Å; W183-H222 AromaticContact NE1-ND1 3.21Å; W183-H222 PolarHBondContact NE1-ND1 3.02Å; L218-H222 WeakPolarHBondContact O-CB 3.26Å; L218-H222 PolarHBondContact O-N 3.21Å; I219-H222 WeakPolarHBondContact O-CB 3.29Å; I219-H222 PolarHBondContact O-N 3.16Å; P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.87Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.45Å; H222-V225 PolarHBondContact O-N 3.23Å; H222-L226 VanDerWaalsContact CE1-CD1 3.44Å; H222-L226 WeakPolarHBondContact CE1-CD1 3.43Å; H222-L226 VanDerWaalsContact NE2-CD1 3.33Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.21Å; H222-L226 WeakPolarHBondContact O-CG 3.5Å; H222-L226 PolarHBondContact O-N 3.3Å; H222-D384 PolarHBondContact NE2-O 3.4Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.45Å; H222-F388 PolarHBondContact CD2-N 3.49Å; H222-F388 AromaticContact CG-CD2 3.61Å; H222-F388 AromaticContact ND1-CD2 3.61Å
223V95Very high92.6Very high0 Ų034.4 Ų34.40%019%0.194CC..Hα-helixtrans-63.6-40.2177.5173.60000111.6W183 I219 P220 L226 M227 I236 Y240 V273W183-V223 HydrophobicContact CH2-CG2 3.95Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; I219-V223 WeakPolarHBondContact O-CG2 3.27Å; I219-V223 PolarHBondContact O-N 3.32Å; I219-V223 VanDerWaalsContact O-N 3.07Å; P220-V223 PolarHBondContact O-N 3.46Å; P220-V223 VanDerWaalsContact O-N 3.16Å; V223-L226 WeakPolarHBondContact O-CB 3.19Å; V223-L226 PolarHBondContact O-N 2.88Å; V223-M227 HydrophobicContact CG1-CE 3.96Å; V223-M227 WeakPolarHBondContact O-CG 3.42Å; V223-M227 PolarHBondContact O-N 2.83Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.13Å; V223-Y240 HydrophobicContact CB-CD2 4.41Å; V223-Y240 HydrophobicContact CG1-CD1 4.5Å; V223-Y240 HydrophobicContact CG1-CG 4.36Å; V223-Y240 HydrophobicContact CG2-CD2 3.65Å; V223-Y240 HydrophobicContact CG2-CE2 4.29Å; V223-Y240 HydrophobicContact CG2-CG 3.9Å; V223-V273 HydrophobicContact CB-CG1 4.03Å; V223-V273 HydrophobicContact CG1-CG1 3.81Å
224L93.4Very high92.6Very high56 Ų5640.7 Ų40.729%0.29322%0.223SC..Hα-helixtrans-62-45.6175.6-177.465.1000111.4P220 L221 H222 L226 M227 L228 V273 L276P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 PolarHBondContact O-N 3.43Å; L221-L224 PolarHBondContact O-N 2.88Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.45Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.02Å; L224-M227 WeakPolarHBondContact O-CB 3.42Å; L224-M227 PolarHBondContact O-N 3.34Å; L224-M227 VanDerWaalsContact O-N 3.12Å; L224-L228 HydrophobicContact CG-CD1 4.46Å; L224-L228 WeakPolarHBondContact O-CG 3.39Å; L224-L228 PolarHBondContact O-N 3.28Å; L224-V273 HydrophobicContact CB-CG2 4.22Å; L224-L276 HydrophobicContact CD1-CD2 3.73Å
225V93.9Very high92.7Very high30 Ų3044.1 Ų44.118%0.18224%0.235CC..Hα-helixtrans-63.6-36.1175.51740000111.4L221 H222 M227 L228 T229 I387 M391L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 2.99Å; H222-V225 PolarHBondContact O-N 3.23Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.71Å; V225-L228 PolarHBondContact O-N 2.92Å; V225-T229 HydrophobicContact CG1-CG2 4.25Å; V225-T229 WeakPolarHBondContact O-CB 3.39Å; V225-T229 WeakPolarHBondContact O-CG2 3.46Å; V225-T229 PolarHBondContact O-N 2.75Å; V225-T229 PolarHBondContact O-OG1 3.06Å; V225-I387 HydrophobicContact CB-CG2 4.39Å; V225-I387 HydrophobicContact CG1-CG2 3.64Å; V225-M391 HydrophobicContact CG2-CE 4.3Å; V225-M391 HydrophobicContact CG2-SD 4.21Å
226L93.1Very high92.8Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-64.1-35.1173.3-74.3172.6000112.7H222 V223 L224 T229 G230 R231 F232 I236 D384 I387H222-L226 VanDerWaalsContact CE1-CD1 3.44Å; H222-L226 WeakPolarHBondContact CE1-CD1 3.43Å; H222-L226 VanDerWaalsContact NE2-CD1 3.33Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.21Å; H222-L226 WeakPolarHBondContact O-CG 3.5Å; H222-L226 PolarHBondContact O-N 3.3Å; V223-L226 WeakPolarHBondContact O-CB 3.19Å; V223-L226 PolarHBondContact O-N 2.88Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.02Å; L226-T229 WeakPolarHBondContact CA-OG1 3.26Å; L226-T229 PolarHBondContact O-OG1 3.45Å; L226-G230 PolarHBondContact O-N 3.1Å; L226-R231 HydrophobicContact CD2-CB 4.18Å; L226-R231 PolarHBondContact O-N 3.4Å; L226-F232 PolarHBondContact O-N 3.38Å; L226-I236 HydrophobicContact CB-CD1 4.45Å; L226-I236 HydrophobicContact CD1-CD1 3.78Å; L226-I236 HydrophobicContact CD1-CG1 4.14Å; L226-I236 HydrophobicContact CD1-CG2 4.26Å; L226-D384 HydrophobicContact CD2-CB 4.13Å; L226-I387 HydrophobicContact CD2-CD1 3.72Å
227M88.9Confident92.9Very high21 Ų2146.3 Ų46.310%0.10324%0.243CC..Hα-helixtrans-66.6-47.8171.4-67.4175.2179.600111.6V223 L224 V225 T229 G230 F232 L276 C277V223-M227 HydrophobicContact CG1-CE 3.96Å; V223-M227 WeakPolarHBondContact O-CG 3.42Å; V223-M227 PolarHBondContact O-N 2.83Å; L224-M227 WeakPolarHBondContact O-CB 3.42Å; L224-M227 PolarHBondContact O-N 3.34Å; L224-M227 VanDerWaalsContact O-N 3.12Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.71Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 2.62Å; M227-G230 PolarHBondContact O-N 3.47Å; M227-F232 HydrophobicContact CE-CD2 3.9Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 4.14Å; M227-F232 HydrophobicContact CG-CB 4.39Å; M227-F232 HydrophobicContact CG-CD2 3.63Å; M227-F232 HydrophobicContact CG-CE2 4.22Å; M227-F232 HydrophobicContact CG-CG 4.22Å; M227-L276 HydrophobicContact SD-CD2 3.7Å; M227-L276 HydrophobicContact SD-CG 3.91Å; M227-C277 HydrophobicContact CE-CB 3.91Å; M227-C277 WeakPolarHBondContact CE-SG 3.36Å
228L89.9Confident93Very high141 Ų14146.4 Ų46.474%0.73825%0.245SC*.Hα-helixtrans-63.4-34.2-179-67.4175.4000113L224 V225 G230L224-L228 HydrophobicContact CG-CD1 4.46Å; L224-L228 WeakPolarHBondContact O-CG 3.39Å; L224-L228 PolarHBondContact O-N 3.28Å; V225-L228 PolarHBondContact O-N 2.92Å; L228-G230 PolarHBondContact O-N 2.75Å
229T91.3Very high93.1Very high73 Ų7346.3 Ų46.345%0.44824%0.244SC..THydrogen-bonded Turntrans-79.8-0.317654.40000113.5V225 L226 M227 R231V225-T229 HydrophobicContact CG1-CG2 4.25Å; V225-T229 WeakPolarHBondContact O-CB 3.39Å; V225-T229 WeakPolarHBondContact O-CG2 3.46Å; V225-T229 PolarHBondContact O-N 2.75Å; V225-T229 PolarHBondContact O-OG1 3.06Å; L226-T229 WeakPolarHBondContact CA-OG1 3.26Å; L226-T229 PolarHBondContact O-OG1 3.45Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 2.62Å; T229-R231 PolarHBondContact O-N 3.13Å
230G87.6Confident93.2Very high66 Ų6646.3 Ų46.368%0.6824%0.244SC*.THydrogen-bonded Turntrans70.116-179.200000114.3L226 M227 L228L226-G230 PolarHBondContact O-N 3.1Å; M227-G230 PolarHBondContact O-N 3.47Å; L228-G230 PolarHBondContact O-N 2.75Å
231R90.3Very high93.2Very high94 Ų9446.9 Ų46.936%0.35525%0.248SC..  trans-96.616-178.8-65.8-172.3175.3-149.12113.2L226 T229 S233 I236 L382 D384L226-R231 HydrophobicContact CD2-CB 4.18Å; L226-R231 PolarHBondContact O-N 3.4Å; T229-R231 PolarHBondContact O-N 3.13Å; R231-S233 PolarHBondContact O-N 3.49Å; R231-I236 VanDerWaalsContact O-CD1 3.3Å; R231-I236 WeakPolarHBondContact O-CD1 3.41Å; R231-L382 PolarHBondContact NH1-O 3.12Å; R231-D384 IonicContact NH1-OD1 3.9Å
232F90.7Very high93.3Very high35 Ų3545.3 Ų45.315%0.15424%0.241CC..  trans-65.1135.3178.5-168.9-99.8000111L226 M227 I236 Y237 C277 H280L226-F232 PolarHBondContact O-N 3.38Å; M227-F232 HydrophobicContact CE-CD2 3.9Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 4.14Å; M227-F232 HydrophobicContact CG-CB 4.39Å; M227-F232 HydrophobicContact CG-CD2 3.63Å; M227-F232 HydrophobicContact CG-CE2 4.22Å; M227-F232 HydrophobicContact CG-CG 4.22Å; F232-I236 HydrophobicContact CD2-CG2 4.39Å; F232-I236 HydrophobicContact CE2-CG2 4.24Å; F232-Y237 HydrophobicContact CZ-CD2 4.2Å; F232-C277 VanDerWaalsContact CE2-SG 3.57Å; F232-H280 AromaticContact CD1-CE1 3.6Å; F232-H280 AromaticContact CD1-ND1 3.3Å; F232-H280 VanDerWaalsContact CD1-ND1 3.3Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.34Å; F232-H280 AromaticContact CE1-ND1 3.61Å; F232-H280 AromaticContact CG-CE1 4Å; F232-H280 AromaticContact CG-ND1 3.93Å
233S91.8Very high93.4Very high39 Ų3945.6 Ų45.627%0.27324%0.242SC..  trans-144.8156.4-175.9-178.20000110.1R231 R235 I236 Y237R231-S233 PolarHBondContact O-N 3.49Å; S233-R235 PolarHBondContact O-N 3.27Å; S233-R235 VanDerWaalsContact O-N 3.1Å; S233-I236 WeakPolarHBondContact O-CB 3.29Å; S233-I236 PolarHBondContact O-N 2.89Å; S233-Y237 PolarHBondContact O-N 3.16Å; S233-Y237 VanDerWaalsContact O-N 3.11Å
234H92.4Very high93.4Very high137 Ų13746.9 Ų46.963%0.63425%0.248SC*.Hα-helixtrans-54-30.9174.9-67.3-64.4000113.1I236 Y237 V238H234-I236 PolarHBondContact O-N 3.39Å; H234-Y237 PolarHBondContact O-N 2.82Å; H234-V238 WeakPolarHBondContact O-CG2 3.39Å; H234-V238 PolarHBondContact O-N 2.92Å
235R94.9Very high93.5Very high108 Ų10847 Ų4741%0.40825%0.253SS..Hα-helixtrans-60.8-43.5175.3-65.8-176.9-71.8160.80.7112.2K188 S233 A239K188-R235 PolarHBondContact O-NH1 3.36Å; S233-R235 PolarHBondContact O-N 3.27Å; S233-R235 VanDerWaalsContact O-N 3.1Å; R235-A239 VanDerWaalsContact O-CB 3.32Å; R235-A239 WeakPolarHBondContact O-CB 3.29Å; R235-A239 PolarHBondContact O-N 3.19Å
236I94.6Very high93.6Very high1 Ų148.9 Ų48.91%0.00526%0.261CS..Hα-helixtrans-70.2-41.7179.1-63153.7000109.8V187 V223 L226 R231 F232 S233 H234 A239 Y240V187-I236 HydrophobicContact CG1-CG1 4.24Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.13Å; L226-I236 HydrophobicContact CB-CD1 4.45Å; L226-I236 HydrophobicContact CD1-CD1 3.78Å; L226-I236 HydrophobicContact CD1-CG1 4.14Å; L226-I236 HydrophobicContact CD1-CG2 4.26Å; R231-I236 VanDerWaalsContact O-CD1 3.3Å; R231-I236 WeakPolarHBondContact O-CD1 3.41Å; F232-I236 HydrophobicContact CD2-CG2 4.39Å; F232-I236 HydrophobicContact CE2-CG2 4.24Å; S233-I236 WeakPolarHBondContact O-CB 3.29Å; S233-I236 PolarHBondContact O-N 2.89Å; H234-I236 PolarHBondContact O-N 3.39Å; I236-A239 PolarHBondContact O-N 3.32Å; I236-Y240 VanDerWaalsContact O-CB 3.31Å; I236-Y240 WeakPolarHBondContact O-CB 3.32Å; I236-Y240 PolarHBondContact O-N 3.34Å
237Y95.4Very high93.7Very high61 Ų6149 Ų4924%0.23926%0.262CS..Hα-helixtrans-57.2-52.1175.5175.7-93.3000111.8F232 S233 H234 A239 C241 C277 Q278 A281F232-Y237 HydrophobicContact CZ-CD2 4.2Å; S233-Y237 PolarHBondContact O-N 3.16Å; S233-Y237 VanDerWaalsContact O-N 3.11Å; H234-Y237 PolarHBondContact O-N 2.82Å; Y237-A239 VanDerWaalsContact C-N 3.35Å; Y237-A239 PolarHBondContact O-N 2.79Å; Y237-C241 VanDerWaalsContact O-CB 3.29Å; Y237-C241 WeakPolarHBondContact O-CB 3.5Å; Y237-C241 PolarHBondContact O-N 3.46Å; Y237-C241 PolarHBondContact O-SG 2.92Å; Y237-C277 HydrophobicContact CD2-CB 4.45Å; Y237-Q278 PolarHBondContact OH-NE2 2.92Å; Y237-Q278 PolarHBondContact OH-OE1 3.02Å; Y237-A281 HydrophobicContact CD2-CB 3.77Å; Y237-A281 HydrophobicContact CE2-CB 3.76Å; Y237-A281 HydrophobicContact CG-CB 4.48Å
238V95.8Very high94Very high45 Ų4548.8 Ų48.827%0.27326%0.262SS..Hα-helixtrans-61.3-44.3178.9171.80000110.9V192 H234 T242V192-V238 HydrophobicContact CG2-CG1 3.71Å; H234-V238 WeakPolarHBondContact O-CG2 3.39Å; H234-V238 PolarHBondContact O-N 2.92Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.48Å; V238-T242 PolarHBondContact O-N 2.88Å; V238-T242 PolarHBondContact O-OG1 3.4Å
239A96Very high94.3Very high0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-63.5-53.3-179.500000112.3W183 A186 S195 R235 I236 Y237 V243W183-A239 HydrophobicContact CZ3-CB 4.28Å; A186-A239 HydrophobicContact CB-CB 4.14Å; S195-A239 WeakPolarHBondContact OG-CA 3.42Å; R235-A239 VanDerWaalsContact O-CB 3.32Å; R235-A239 WeakPolarHBondContact O-CB 3.29Å; R235-A239 PolarHBondContact O-N 3.19Å; I236-A239 PolarHBondContact O-N 3.32Å; Y237-A239 VanDerWaalsContact C-N 3.35Å; Y237-A239 PolarHBondContact O-N 2.79Å; A239-V243 WeakPolarHBondContact O-CB 3.25Å; A239-V243 VanDerWaalsContact O-CG2 3.27Å; A239-V243 WeakPolarHBondContact O-CG2 3.33Å; A239-V243 PolarHBondContact O-N 3.39Å
240Y96.6Very high94.5Very high4 Ų445.1 Ų45.12%0.01624%0.239CC..Hα-helixtrans-65.6-47.3-176.5-177.6-108.2000112.5W183 I219 P220 V223 I236 T242 V243 Y244 A270 V273 F274 C277W183-Y240 HydrophobicContact CH2-CD2 4.02Å; I219-Y240 HydrophobicContact CG2-CD2 3.84Å; I219-Y240 HydrophobicContact CG2-CE2 3.93Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 HydrophobicContact CG-CE2 4.02Å; P220-Y240 WeakPolarHBondContact CG-OH 3.34Å; V223-Y240 HydrophobicContact CB-CD2 4.41Å; V223-Y240 HydrophobicContact CG1-CD1 4.5Å; V223-Y240 HydrophobicContact CG1-CG 4.36Å; V223-Y240 HydrophobicContact CG2-CD2 3.65Å; V223-Y240 HydrophobicContact CG2-CE2 4.29Å; V223-Y240 HydrophobicContact CG2-CG 3.9Å; I236-Y240 VanDerWaalsContact O-CB 3.31Å; I236-Y240 WeakPolarHBondContact O-CB 3.32Å; I236-Y240 PolarHBondContact O-N 3.34Å; Y240-T242 VanDerWaalsContact C-N 3.33Å; Y240-T242 PolarHBondContact O-N 2.9Å; Y240-V243 PolarHBondContact O-N 3.28Å; Y240-Y244 VanDerWaalsContact O-CB 3.29Å; Y240-Y244 WeakPolarHBondContact O-CB 3.26Å; Y240-Y244 PolarHBondContact O-N 3.34Å; Y240-A270 WeakPolarHBondContact OH-CA 3.48Å; Y240-A270 PolarHBondContact OH-O 3.28Å; Y240-V273 HydrophobicContact CE1-CB 4.41Å; Y240-V273 HydrophobicContact CE1-CG1 3.93Å; Y240-F274 HydrophobicContact CE1-CB 3.96Å; Y240-F274 HydrophobicContact CE1-CD2 4.41Å; Y240-C277 HydrophobicContact CD1-CB 4.49Å
241C96.2Very high94.8Very high13 Ų1342 Ų429%0.08821%0.207CC..Hα-helixtrans-63.9-40.3-177.5-64.20000111.6Y237 Y244 C245 F274Y237-C241 VanDerWaalsContact O-CB 3.29Å; Y237-C241 WeakPolarHBondContact O-CB 3.5Å; Y237-C241 PolarHBondContact O-N 3.46Å; Y237-C241 PolarHBondContact O-SG 2.92Å; C241-Y244 PolarHBondContact O-N 3.5Å; C241-C245 PolarHBondContact O-N 3.16Å; C241-C245 PolarHBondContact O-SG 3.33Å; C241-C245 VanDerWaalsContact O-SG 3.33Å; C241-F274 HydrophobicContact CB-CE2 3.98Å
242T96.3Very high95Very high27 Ų2740 Ų4017%0.16620%0.202CC..Hα-helixtrans-65.1-47.3177.2-54.90000111.2V192 V238 Y240 Y244 L246V192-T242 HydrophobicContact CG1-CG2 4.03Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.48Å; V238-T242 PolarHBondContact O-N 2.88Å; V238-T242 PolarHBondContact O-OG1 3.4Å; Y240-T242 VanDerWaalsContact C-N 3.33Å; Y240-T242 PolarHBondContact O-N 2.9Å; T242-Y244 VanDerWaalsContact C-N 3.34Å; T242-Y244 PolarHBondContact O-N 2.88Å; T242-L246 HydrophobicContact CG2-CD1 3.88Å; T242-L246 WeakPolarHBondContact O-CB 3.32Å; T242-L246 PolarHBondContact O-N 3.09Å; T242-L246 VanDerWaalsContact O-N 3.11Å
243V96.6Very high95.1Very high6 Ų644.1 Ų44.14%0.03622%0.222CC..Hα-helixtrans-62.4-42.1178.3170.40000111.1W183 S195 C198 A239 Y240 G247W183-V243 HydrophobicContact CE3-CG2 4.21Å; W183-V243 HydrophobicContact CZ3-CB 4.41Å; W183-V243 HydrophobicContact CZ3-CG2 4.15Å; S195-V243 WeakPolarHBondContact O-CG2 3.37Å; C198-V243 HydrophobicContact CB-CG2 3.95Å; A239-V243 WeakPolarHBondContact O-CB 3.25Å; A239-V243 VanDerWaalsContact O-CG2 3.27Å; A239-V243 WeakPolarHBondContact O-CG2 3.33Å; A239-V243 PolarHBondContact O-N 3.39Å; Y240-V243 PolarHBondContact O-N 3.28Å; V243-G247 VanDerWaalsContact O-CA 3.26Å; V243-G247 WeakPolarHBondContact O-CA 3.42Å; V243-G247 PolarHBondContact O-N 3.38Å
244Y96.1Very high95.2Very high28 Ų2843 Ų4311%0.1121%0.213CC..Hα-helixtrans-64-50.4-179.5179.8-106.7000112Y240 C241 T242 T248 A270 F271 F274Y240-Y244 VanDerWaalsContact O-CB 3.29Å; Y240-Y244 WeakPolarHBondContact O-CB 3.26Å; Y240-Y244 PolarHBondContact O-N 3.34Å; C241-Y244 PolarHBondContact O-N 3.5Å; T242-Y244 VanDerWaalsContact C-N 3.34Å; T242-Y244 PolarHBondContact O-N 2.88Å; Y244-T248 WeakPolarHBondContact O-CB 3.43Å; Y244-T248 PolarHBondContact O-N 3.3Å; Y244-T248 PolarHBondContact O-OG1 2.89Å; Y244-A270 HydrophobicContact CD2-CB 3.96Å; Y244-A270 HydrophobicContact CE2-CB 3.66Å; Y244-F271 WeakPolarHBondContact OH-CA 3.29Å; Y244-F271 WeakPolarHBondContact OH-CB 3.29Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.46Å; Y244-F274 HydrophobicContact CD1-CB 3.79Å; Y244-F274 AromaticContact CD1-CD1 3.95Å; Y244-F274 HydrophobicContact CD1-CD1 3.95Å; Y244-F274 AromaticContact CD1-CD2 3.3Å; Y244-F274 HydrophobicContact CD1-CD2 3.3Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.77Å; Y244-F274 HydrophobicContact CD1-CE2 3.77Å; Y244-F274 AromaticContact CD1-CG 3.39Å; Y244-F274 HydrophobicContact CD1-CG 3.39Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.8Å; Y244-F274 AromaticContact CE1-CD1 3.74Å; Y244-F274 HydrophobicContact CE1-CD1 3.74Å; Y244-F274 AromaticContact CE1-CD2 3.97Å; Y244-F274 HydrophobicContact CE1-CD2 3.97Å; Y244-F274 HydrophobicContact CE1-CE1 4.28Å; Y244-F274 HydrophobicContact CE1-CE2 4.48Å; Y244-F274 AromaticContact CE1-CG 3.55Å; Y244-F274 HydrophobicContact CE1-CG 3.55Å; Y244-F274 HydrophobicContact CG-CB 4.22Å; Y244-F274 AromaticContact CG-CD2 3.96Å; Y244-F274 HydrophobicContact CG-CD2 3.96Å; Y244-F274 HydrophobicContact CG-CG 4.19Å
245C95.9Very high95.1Very high59 Ų5939.4 Ų39.440%0.39920%0.203SC..Hα-helixtrans-64.1-52.1-178.6-67.80000112C241 I249C241-C245 PolarHBondContact O-N 3.16Å; C241-C245 PolarHBondContact O-SG 3.33Å; C241-C245 VanDerWaalsContact O-SG 3.33Å; C245-I249 WeakPolarHBondContact O-CG1 3.41Å; C245-I249 PolarHBondContact O-N 3.41Å
246L96.3Very high94.8Very high69 Ų6937.7 Ų37.736%0.36120%0.199SC..Hα-helixtrans-68.2-45.2-179-68.5176.7000111.4A199 T242 T248 I249 L250A199-L246 HydrophobicContact CB-CB 3.56Å; A199-L246 HydrophobicContact CB-CD1 4.33Å; T242-L246 HydrophobicContact CG2-CD1 3.88Å; T242-L246 WeakPolarHBondContact O-CB 3.32Å; T242-L246 PolarHBondContact O-N 3.09Å; T242-L246 VanDerWaalsContact O-N 3.11Å; L246-T248 VanDerWaalsContact C-N 3.34Å; L246-T248 PolarHBondContact O-N 3.21Å; L246-I249 PolarHBondContact O-N 3.39Å; L246-L250 VanDerWaalsContact O-CB 3.32Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.43Å
247G95.1Very high94.7Very high1 Ų137.8 Ų37.81%0.0120%0.199CC..Hα-helixtrans-61.6-41.2-178.800000112.5V243 S251V243-G247 VanDerWaalsContact O-CA 3.26Å; V243-G247 WeakPolarHBondContact O-CA 3.42Å; V243-G247 PolarHBondContact O-N 3.38Å; G247-S251 WeakPolarHBondContact O-CB 3.36Å; G247-S251 PolarHBondContact O-N 3.33Å; G247-S251 PolarHBondContact O-OG 3.12Å; G247-S251 VanDerWaalsContact O-OG 3.13Å
248T94.7Very high94.5Very high18 Ų1835.8 Ų35.811%0.1120%0.198CC..Hα-helixtrans-67.6-44.6178.5-57.60000111.9Y244 L246 S251 M252 P261Y244-T248 WeakPolarHBondContact O-CB 3.43Å; Y244-T248 PolarHBondContact O-N 3.3Å; Y244-T248 PolarHBondContact O-OG1 2.89Å; L246-T248 VanDerWaalsContact C-N 3.34Å; L246-T248 PolarHBondContact O-N 3.21Å; T248-S251 WeakPolarHBondContact CA-OG 3.29Å; T248-S251 PolarHBondContact O-N 3.31Å; T248-S251 PolarHBondContact O-OG 2.92Å; T248-M252 HydrophobicContact CG2-CE 3.66Å; T248-M252 VanDerWaalsContact O-CG 3.3Å; T248-M252 WeakPolarHBondContact O-CG 3.31Å; T248-M252 PolarHBondContact O-N 3.39Å; T248-P261 HydrophobicContact CG2-CB 4.19Å
249I95.8Very high94.2Very high105 Ų10540.3 Ų40.354%0.53821%0.214SC..Hα-helixtrans-64.5-44.1178-67.9170.4000110.5C245 L246 M252C245-I249 WeakPolarHBondContact O-CG1 3.41Å; C245-I249 PolarHBondContact O-N 3.41Å; L246-I249 PolarHBondContact O-N 3.39Å; I249-M252 PolarHBondContact O-N 3.24Å
250L95.2Very high93.9Very high32 Ų3243.9 Ų43.917%0.16823%0.23CC..Hα-helixtrans-66.2-40.7178.6-70.2171000111.7A199 L200 F203 L246 M252 Q253A199-L250 HydrophobicContact CB-CD1 4.46Å; L200-L250 HydrophobicContact CD2-CD1 4.13Å; F203-L250 HydrophobicContact CB-CB 3.86Å; F203-L250 HydrophobicContact CB-CD1 4.05Å; F203-L250 HydrophobicContact CB-CG 4.48Å; F203-L250 HydrophobicContact CD2-CB 3.7Å; F203-L250 VanDerWaalsContact CD2-O 3.25Å; F203-L250 WeakPolarHBondContact CD2-O 3.34Å; F203-L250 VanDerWaalsContact CE2-O 3.29Å; F203-L250 WeakPolarHBondContact CE2-O 3.17Å; F203-L250 HydrophobicContact CG-CB 3.96Å; L246-L250 VanDerWaalsContact O-CB 3.32Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.43Å; L250-M252 VanDerWaalsContact C-N 3.25Å; L250-M252 PolarHBondContact O-N 3.11Å; L250-Q253 WeakPolarHBondContact O-CB 3.12Å; L250-Q253 PolarHBondContact O-N 2.62Å; L250-Q253 VanDerWaalsContact O-N 3.12Å
251S94.2Very high93.5Very high1 Ų144 Ų441%0.00723%0.231CC..Hα-helixtrans-63-32.6178.860.90000112.8G247 T248 Q253 I254 V257G247-S251 WeakPolarHBondContact O-CB 3.36Å; G247-S251 PolarHBondContact O-N 3.33Å; G247-S251 PolarHBondContact O-OG 3.12Å; G247-S251 VanDerWaalsContact O-OG 3.13Å; T248-S251 WeakPolarHBondContact CA-OG 3.29Å; T248-S251 PolarHBondContact O-N 3.31Å; T248-S251 PolarHBondContact O-OG 2.92Å; S251-Q253 PolarHBondContact O-N 2.91Å; S251-I254 PolarHBondContact O-N 2.66Å; S251-V257 WeakPolarHBondContact O-CG1 3.48Å
252M93.9Very high93Very high52 Ų5247 Ų4726%0.25625%0.249SC..Hα-helixtrans-66.8-19.8177.1-70.9171.3179.600113.9T248 I249 L250 I254 G258 P261 V262T248-M252 HydrophobicContact CG2-CE 3.66Å; T248-M252 VanDerWaalsContact O-CG 3.3Å; T248-M252 WeakPolarHBondContact O-CG 3.31Å; T248-M252 PolarHBondContact O-N 3.39Å; I249-M252 PolarHBondContact O-N 3.24Å; L250-M252 VanDerWaalsContact C-N 3.25Å; L250-M252 PolarHBondContact O-N 3.11Å; M252-I254 PolarHBondContact O-N 3.44Å; M252-G258 WeakPolarHBondContact CA-O 3.26Å; M252-G258 WeakPolarHBondContact CG-O 3.3Å; M252-P261 HydrophobicContact CE-CB 4.27Å; M252-P261 HydrophobicContact CG-CG 4.2Å; M252-V262 HydrophobicContact CE-CB 4.18Å; M252-V262 HydrophobicContact CE-CG1 3.25Å; M252-V262 HydrophobicContact CE-CG2 3.95Å
253Q93.4Very high92.4Very high121 Ų12150.7 Ų50.757%0.56527%0.265SS*.THydrogen-bonded Turntrans-73.6-17.5-179.6-62.6178.1-8.800112.8F203 L250 S251 S255F203-Q253 HydrophobicContact CE2-CB 4.44Å; L250-Q253 WeakPolarHBondContact O-CB 3.12Å; L250-Q253 PolarHBondContact O-N 2.62Å; L250-Q253 VanDerWaalsContact O-N 3.12Å; S251-Q253 PolarHBondContact O-N 2.91Å; Q253-S255 PolarHBondContact O-N 3.33Å
254I93.4Very high91.8Very high15 Ų1550.9 Ų50.98%0.07727%0.267CS..SBendtrans-77.7115.8175.2-57.5-56.7000108.4F203 V206 S251 M252 F256 V257 G258F203-I254 HydrophobicContact CE2-CD1 3.64Å; F203-I254 HydrophobicContact CE2-CG1 4Å; F203-I254 HydrophobicContact CZ-CD1 4.01Å; V206-I254 HydrophobicContact CG1-CG1 4.11Å; S251-I254 PolarHBondContact O-N 2.66Å; M252-I254 PolarHBondContact O-N 3.44Å; I254-F256 HydrophobicContact CG2-CB 4.34Å; I254-F256 PolarHBondContact O-N 3.01Å; I254-F256 VanDerWaalsContact O-N 3.11Å; I254-V257 HydrophobicContact CB-CB 4.22Å; I254-V257 HydrophobicContact CB-CG2 4.05Å; I254-V257 HydrophobicContact CG2-CG2 4.04Å; I254-V257 WeakPolarHBondContact O-CA 3.5Å; I254-V257 WeakPolarHBondContact O-CB 3.46Å; I254-V257 PolarHBondContact O-N 3.17Å; I254-G258 PolarHBondContact O-N 3.45Å
255S90.1Very high91.2Very high62 Ų6250.4 Ų50.443%0.43427%0.267SS..THydrogen-bonded Turntrans-53.4-36.8-174.4-54.20000113.8H69 Q253 V257H69-S255 PolarHBondContact CE1-OG 3.32Å; Q253-S255 PolarHBondContact O-N 3.33Å; S255-V257 VanDerWaalsContact C-N 3.32Å; S255-V257 PolarHBondContact O-N 3.07Å
256F90.4Very high90.6Very high71 Ų7147.9 Ų47.931%0.31125%0.25SC..THydrogen-bonded Turntrans-64.9-35.1176.5-174.3-106.5000113.4G86 T87 Y89 I254G86-F256 WeakPolarHBondContact O-CA 3.28Å; T87-F256 WeakPolarHBondContact O-CE2 3.46Å; Y89-F256 HydrophobicContact CD1-CD1 4.29Å; Y89-F256 HydrophobicContact CD2-CD1 4.45Å; Y89-F256 AromaticContact CE1-CD1 3.65Å; Y89-F256 HydrophobicContact CE1-CD1 3.65Å; Y89-F256 HydrophobicContact CE1-CE1 4.23Å; Y89-F256 AromaticContact CE2-CD1 3.82Å; Y89-F256 HydrophobicContact CE2-CD1 3.82Å; Y89-F256 AromaticContact CE2-CE1 3.68Å; Y89-F256 HydrophobicContact CE2-CE1 3.68Å; Y89-F256 AromaticContact CZ-CD1 3.38Å; Y89-F256 AromaticContact CZ-CE1 3.47Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.47Å; Y89-F256 VanDerWaalsContact OH-CE1 3.29Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.46Å; I254-F256 HydrophobicContact CG2-CB 4.34Å; I254-F256 PolarHBondContact O-N 3.01Å; I254-F256 VanDerWaalsContact O-N 3.11Å
257V91.5Very high90.3Very high3 Ų344.9 Ų44.92%0.01823%0.234CC..THydrogen-bonded Turntrans-81.9-44.6-179.4176.30000110.2Y89 V206 Y212 S251 I254 S255 F259 Q260 P261Y89-V257 HydrophobicContact CE1-CG2 4.18Å; V206-V257 HydrophobicContact CG1-CG2 3.88Å; Y212-V257 HydrophobicContact CE1-CG2 4.2Å; S251-V257 WeakPolarHBondContact O-CG1 3.48Å; I254-V257 HydrophobicContact CB-CB 4.22Å; I254-V257 HydrophobicContact CB-CG2 4.05Å; I254-V257 HydrophobicContact CG2-CG2 4.04Å; I254-V257 WeakPolarHBondContact O-CA 3.5Å; I254-V257 WeakPolarHBondContact O-CB 3.46Å; I254-V257 PolarHBondContact O-N 3.17Å; S255-V257 VanDerWaalsContact C-N 3.32Å; S255-V257 PolarHBondContact O-N 3.07Å; V257-F259 PolarHBondContact O-N 3.01Å; V257-F259 VanDerWaalsContact O-N 3.16Å; V257-Q260 HydrophobicContact CG1-CB 4.4Å; V257-Q260 VanDerWaalsContact O-CB 3.24Å; V257-Q260 WeakPolarHBondContact O-CB 3.42Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.26Å; V257-P261 HydrophobicContact CG1-CG 3.63Å
258G91.2Very high89.8Confident20 Ų2047.4 Ų47.421%0.20625%0.246CC..THydrogen-bonded Turntrans49.1-119.9178.500000112.4M252 I254M252-G258 WeakPolarHBondContact CA-O 3.26Å; M252-G258 WeakPolarHBondContact CG-O 3.3Å; I254-G258 PolarHBondContact O-N 3.45Å
259F90.6Very high89.4Confident140 Ų14048.8 Ų48.861%0.61426%0.259SS*.THydrogen-bonded Turntrans-958.8-179.1-60.7-71.3000114.7V257 P261 V262 Q263V257-F259 PolarHBondContact O-N 3.01Å; V257-F259 VanDerWaalsContact O-N 3.16Å; F259-P261 VanDerWaalsContact C-N 3.31Å; F259-V262 HydrophobicContact CB-CG2 4.15Å; F259-V262 WeakPolarHBondContact O-CG2 3.3Å; F259-V262 PolarHBondContact O-N 3.28Å; F259-V262 VanDerWaalsContact O-N 3.16Å; F259-Q263 HydrophobicContact CB-CG 4.5Å; F259-Q263 PolarHBondContact O-N 3.49Å; F259-Q263 VanDerWaalsContact O-N 3.13Å
260Q87.8Confident89.2Confident74 Ų7443.8 Ų43.835%0.34623%0.234SC..Hα-helixtrans-53.2-38.5176.9-71176.20.600114V257 V262 Q263 S264V257-Q260 HydrophobicContact CG1-CB 4.4Å; V257-Q260 VanDerWaalsContact O-CB 3.24Å; V257-Q260 WeakPolarHBondContact O-CB 3.42Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.26Å; Q260-V262 PolarHBondContact O-N 2.93Å; Q260-V262 VanDerWaalsContact O-N 3.08Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q260-S264 WeakPolarHBondContact O-CB 3.29Å; Q260-S264 PolarHBondContact O-N 3.37Å
261P88.9Confident89Confident6 Ų648.1 Ų48.14%0.03925%0.251CS..Hα-helixtrans-61.4-20.9-179-26.436.7000115T248 M252 V257 F259 H267T248-P261 HydrophobicContact CG2-CB 4.19Å; M252-P261 HydrophobicContact CE-CB 4.27Å; M252-P261 HydrophobicContact CG-CG 4.2Å; V257-P261 HydrophobicContact CG1-CG 3.63Å; F259-P261 VanDerWaalsContact C-N 3.31Å; P261-H267 VanDerWaalsContact O-CB 3.23Å; P261-H267 WeakPolarHBondContact O-CB 3.44Å
262V86.8Confident88.7Confident77 Ų7750.1 Ų50.147%0.46727%0.272SS..Hα-helixtrans-106.6-24.2178.5-73.50000113.6M252 F259 Q260M252-V262 HydrophobicContact CE-CB 4.18Å; M252-V262 HydrophobicContact CE-CG1 3.25Å; M252-V262 HydrophobicContact CE-CG2 3.95Å; F259-V262 HydrophobicContact CB-CG2 4.15Å; F259-V262 WeakPolarHBondContact O-CG2 3.3Å; F259-V262 PolarHBondContact O-N 3.28Å; F259-V262 VanDerWaalsContact O-N 3.16Å; Q260-V262 PolarHBondContact O-N 2.93Å; Q260-V262 VanDerWaalsContact O-N 3.08Å
263Q83.6Confident88.6Confident105 Ų10548.2 Ų48.249%0.49126%0.264SS..Hα-helixtrans-98.4-31.8-176.9-70.8175.5-18.800113.6F259 Q260 S324F259-Q263 HydrophobicContact CB-CG 4.5Å; F259-Q263 PolarHBondContact O-N 3.49Å; F259-Q263 VanDerWaalsContact O-N 3.13Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q263-S324 PolarHBondContact O-N 3.41Å; Q263-S324 VanDerWaalsContact O-N 3.12Å
264S83.4Confident88.6Confident10 Ų1044.3 Ų44.37%0.0725%0.245CC..BIsolated β-bridgetrans-80.2139.6-175.7177.50000111.8Q260 E266 H267 M268Q260-S264 WeakPolarHBondContact O-CB 3.29Å; Q260-S264 PolarHBondContact O-N 3.37Å; S264-E266 PolarHBondContact O-N 2.87Å; S264-E266 WeakPolarHBondContact OG-CB 3.43Å; S264-E266 PolarHBondContact OG-N 2.99Å; S264-E266 PolarHBondContact OG-OE2 2.8Å; S264-H267 PolarHBondContact O-N 3.13Å; S264-M268 WeakPolarHBondContact O-CE 3.39Å
265S83.6Confident88.5Confident18 Ų1845 Ų4513%0.12626%0.256CS..G310 helixtrans-59.1-26.217363.10000113.2H267 M268 S324 W326S265-H267 PolarHBondContact O-N 3.17Å; S265-M268 WeakPolarHBondContact O-CB 3.33Å; S265-M268 PolarHBondContact O-N 3.01Å; S265-M268 VanDerWaalsContact O-N 3.15Å; S265-S324 PolarHBondContact N-O 2.7Å; S265-W326 WeakPolarHBondContact OG-CA 3.45Å; S265-W326 PolarHBondContact OG-N 3.38Å
266E83.8Confident88.4Confident6 Ų645.5 Ų45.53%0.02825%0.253CS..G310 helixtrans-64.7-22.4-175.7-66.1161.2179.600113.4V213 N217 S264 W326 T327 F330V213-E266 HydrophobicContact CG1-CB 3.97Å; V213-E266 HydrophobicContact CG1-CG 4.49Å; N217-E266 PolarHBondContact ND2-O 3.07Å; N217-E266 PolarHBondContact OD1-O 3.49Å; S264-E266 PolarHBondContact O-N 2.87Å; S264-E266 WeakPolarHBondContact OG-CB 3.43Å; S264-E266 PolarHBondContact OG-N 2.99Å; S264-E266 PolarHBondContact OG-OE2 2.8Å; E266-W326 HydrophobicContact CG-CE3 3.82Å; E266-W326 HydrophobicContact CG-CZ3 4.06Å; E266-T327 WeakPolarHBondContact OE1-CB 3.39Å; E266-T327 WeakPolarHBondContact OE1-CG2 3.45Å; E266-T327 PolarHBondContact OE1-N 2.84Å; E266-T327 PolarHBondContact OE1-OG1 2.88Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.49Å
267H88.8Confident88.3Confident6 Ų642.1 Ų42.13%0.02824%0.238CC..G310 helixtrans-103-4.2-178.8-61.286.6000112.8Y212 P261 S264 S265 A269 A270 F271Y212-H267 AromaticContact CE2-NE2 3.32Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.32Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.35Å; P261-H267 VanDerWaalsContact O-CB 3.23Å; P261-H267 WeakPolarHBondContact O-CB 3.44Å; S264-H267 PolarHBondContact O-N 3.13Å; S265-H267 PolarHBondContact O-N 3.17Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3Å; H267-A270 PolarHBondContact O-N 3.46Å; H267-A270 VanDerWaalsContact O-N 3.16Å; H267-F271 PolarHBondContact O-N 3.5Å
268M85.1Confident88.3Confident53 Ų5345.1 Ų45.126%0.26125%0.252SS..Hα-helixtrans-68-26.1-175.2-67.5-62.5107.600112.8S264 S265 A270 F271 G272S264-M268 WeakPolarHBondContact O-CE 3.39Å; S265-M268 WeakPolarHBondContact O-CB 3.33Å; S265-M268 PolarHBondContact O-N 3.01Å; S265-M268 VanDerWaalsContact O-N 3.15Å; M268-A270 VanDerWaalsContact C-N 3.3Å; M268-A270 PolarHBondContact O-N 3.38Å; M268-F271 PolarHBondContact O-N 3.48Å; M268-G272 PolarHBondContact O-N 3.21Å
269A86.9Confident88.1Confident47 Ų4748 Ų4839%0.38826%0.262SS..Hα-helixtrans-60.5-42173.500000111.5N217 H267 G272 V273N217-A269 WeakPolarHBondContact OD1-CB 3.5Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3Å; A269-G272 PolarHBondContact O-N 3.01Å; A269-V273 VanDerWaalsContact O-CG2 3.32Å; A269-V273 WeakPolarHBondContact O-CG2 3.3Å; A269-V273 PolarHBondContact O-N 3.18Å
270A90.8Very high87.9Confident1 Ų144.8 Ų44.81%0.00825%0.249CC..Hα-helixtrans-66.2-43.6177.800000111.9I216 P220 Y240 Y244 H267 M268 F274I216-A270 HydrophobicContact CD1-CB 4.26Å; I216-A270 HydrophobicContact CG1-CB 3.99Å; P220-A270 VanDerWaalsContact CG-CA 3.49Å; P220-A270 HydrophobicContact CG-CB 3.64Å; Y240-A270 WeakPolarHBondContact OH-CA 3.48Å; Y240-A270 PolarHBondContact OH-O 3.28Å; Y244-A270 HydrophobicContact CD2-CB 3.96Å; Y244-A270 HydrophobicContact CE2-CB 3.66Å; H267-A270 PolarHBondContact O-N 3.46Å; H267-A270 VanDerWaalsContact O-N 3.16Å; M268-A270 VanDerWaalsContact C-N 3.3Å; M268-A270 PolarHBondContact O-N 3.38Å; A270-F274 VanDerWaalsContact O-CB 3.28Å; A270-F274 WeakPolarHBondContact O-CB 3.45Å; A270-F274 PolarHBondContact O-N 2.95Å
271F91.1Very high87.9Confident122 Ų12242.2 Ų42.254%0.53524%0.24SC..Hα-helixtrans-63.6-44.3175.4-177.9-112.4000112.3Y244 H267 M268 F274 G275Y244-F271 WeakPolarHBondContact OH-CA 3.29Å; Y244-F271 WeakPolarHBondContact OH-CB 3.29Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.46Å; H267-F271 PolarHBondContact O-N 3.5Å; M268-F271 PolarHBondContact O-N 3.48Å; F271-F274 WeakPolarHBondContact O-CB 3.19Å; F271-F274 PolarHBondContact O-N 3.14Å; F271-G275 PolarHBondContact O-N 3.01Å
272G88.3Confident87.9Confident43 Ų4347.9 Ų47.944%0.44326%0.264SS..Hα-helixtrans-61.7-47178.600000112.7M268 A269 F274 G275 L276M268-G272 PolarHBondContact O-N 3.21Å; A269-G272 PolarHBondContact O-N 3.01Å; G272-F274 VanDerWaalsContact C-N 3.3Å; G272-F274 PolarHBondContact O-N 2.86Å; G272-G275 PolarHBondContact O-N 3.12Å; G272-L276 WeakPolarHBondContact O-CB 3.12Å; G272-L276 PolarHBondContact O-N 2.73Å
273V91.8Very high87.8Confident13 Ų1345.6 Ų45.68%0.07925%0.25CS..Hα-helixtrans-67.7-32176.2175.40000111.4P220 V223 L224 Y240 A269 L276 C277P220-V273 HydrophobicContact CB-CB 3.87Å; P220-V273 HydrophobicContact CB-CG1 4.2Å; P220-V273 HydrophobicContact CB-CG2 3.77Å; V223-V273 HydrophobicContact CB-CG1 4.03Å; V223-V273 HydrophobicContact CG1-CG1 3.81Å; L224-V273 HydrophobicContact CB-CG2 4.22Å; Y240-V273 HydrophobicContact CE1-CB 4.41Å; Y240-V273 HydrophobicContact CE1-CG1 3.93Å; A269-V273 VanDerWaalsContact O-CG2 3.32Å; A269-V273 WeakPolarHBondContact O-CG2 3.3Å; A269-V273 PolarHBondContact O-N 3.18Å; V273-L276 PolarHBondContact O-N 2.76Å; V273-C277 VanDerWaalsContact O-CB 3.32Å; V273-C277 WeakPolarHBondContact O-CB 3.18Å; V273-C277 PolarHBondContact O-N 3.34Å
274F93.9Very high87.9Confident39 Ų3944.1 Ų44.117%0.17125%0.246CC..Hα-helixtrans-63.1-49.2172.5178.6-99.5000112Y240 C241 Y244 A270 F271 G272 L276 C277 Q278Y240-F274 HydrophobicContact CE1-CB 3.96Å; Y240-F274 HydrophobicContact CE1-CD2 4.41Å; C241-F274 HydrophobicContact CB-CE2 3.98Å; Y244-F274 HydrophobicContact CD1-CB 3.79Å; Y244-F274 AromaticContact CD1-CD1 3.95Å; Y244-F274 HydrophobicContact CD1-CD1 3.95Å; Y244-F274 AromaticContact CD1-CD2 3.3Å; Y244-F274 HydrophobicContact CD1-CD2 3.3Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.77Å; Y244-F274 HydrophobicContact CD1-CE2 3.77Å; Y244-F274 AromaticContact CD1-CG 3.39Å; Y244-F274 HydrophobicContact CD1-CG 3.39Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.8Å; Y244-F274 AromaticContact CE1-CD1 3.74Å; Y244-F274 HydrophobicContact CE1-CD1 3.74Å; Y244-F274 AromaticContact CE1-CD2 3.97Å; Y244-F274 HydrophobicContact CE1-CD2 3.97Å; Y244-F274 HydrophobicContact CE1-CE1 4.28Å; Y244-F274 HydrophobicContact CE1-CE2 4.48Å; Y244-F274 AromaticContact CE1-CG 3.55Å; Y244-F274 HydrophobicContact CE1-CG 3.55Å; Y244-F274 HydrophobicContact CG-CB 4.22Å; Y244-F274 AromaticContact CG-CD2 3.96Å; Y244-F274 HydrophobicContact CG-CD2 3.96Å; Y244-F274 HydrophobicContact CG-CG 4.19Å; A270-F274 VanDerWaalsContact O-CB 3.28Å; A270-F274 WeakPolarHBondContact O-CB 3.45Å; A270-F274 PolarHBondContact O-N 2.95Å; F271-F274 WeakPolarHBondContact O-CB 3.19Å; F271-F274 PolarHBondContact O-N 3.14Å; G272-F274 VanDerWaalsContact C-N 3.3Å; G272-F274 PolarHBondContact O-N 2.86Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 3.42Å; F274-C277 VanDerWaalsContact O-CB 3.32Å; F274-C277 WeakPolarHBondContact O-CB 3.44Å; F274-C277 PolarHBondContact O-N 2.99Å; F274-Q278 HydrophobicContact CE1-CG 4.36Å; F274-Q278 HydrophobicContact CZ-CG 4.4Å; F274-Q278 WeakPolarHBondContact O-CG 3.31Å; F274-Q278 PolarHBondContact O-N 3.37Å; F274-Q278 VanDerWaalsContact O-N 3.14Å
275G89.6Confident88.1Confident30 Ų3050.2 Ų50.231%0.30927%0.268SS..Hα-helixtrans-57.3-45.3173.200000112.3F271 G272 C277 Q278 I279F271-G275 PolarHBondContact O-N 3.01Å; G272-G275 PolarHBondContact O-N 3.12Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 2.85Å; G275-Q278 PolarHBondContact O-N 2.86Å; G275-I279 WeakPolarHBondContact O-CG1 3.49Å; G275-I279 PolarHBondContact O-N 3.26Å; G275-I279 VanDerWaalsContact O-N 3.08Å
276L87.9Confident88.3Confident72 Ų7250.8 Ų50.838%0.37727%0.269SS..Hα-helixtrans-62.2-40177.4-172.964.6000112.4L224 M227 G272 V273 F274 Q278 I279 H280L224-L276 HydrophobicContact CD1-CD2 3.73Å; M227-L276 HydrophobicContact SD-CD2 3.7Å; M227-L276 HydrophobicContact SD-CG 3.91Å; G272-L276 WeakPolarHBondContact O-CB 3.12Å; G272-L276 PolarHBondContact O-N 2.73Å; V273-L276 PolarHBondContact O-N 2.76Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 3.42Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.5Å; L276-I279 PolarHBondContact O-N 3.44Å; L276-H280 VanDerWaalsContact O-CB 3.25Å; L276-H280 WeakPolarHBondContact O-CB 3.3Å; L276-H280 PolarHBondContact O-N 3.36Å
277C90Very high88.2Confident0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-57.3-45.6174.7-113.20000111.9M227 F232 Y237 Y240 V273 F274 G275 A281M227-C277 HydrophobicContact CE-CB 3.91Å; M227-C277 WeakPolarHBondContact CE-SG 3.36Å; F232-C277 VanDerWaalsContact CE2-SG 3.57Å; Y237-C277 HydrophobicContact CD2-CB 4.45Å; Y240-C277 HydrophobicContact CD1-CB 4.49Å; V273-C277 VanDerWaalsContact O-CB 3.32Å; V273-C277 WeakPolarHBondContact O-CB 3.18Å; V273-C277 PolarHBondContact O-N 3.34Å; F274-C277 VanDerWaalsContact O-CB 3.32Å; F274-C277 WeakPolarHBondContact O-CB 3.44Å; F274-C277 PolarHBondContact O-N 2.99Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 2.85Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.12Å
278Q91.4Very high88.1Confident66 Ų6661 Ų6131%0.30832%0.321SS..Hα-helixtrans-64.5-47178.9-61.6-58.8-15.400111.4Y237 F274 G275 L276 F282Y237-Q278 PolarHBondContact OH-NE2 2.92Å; Y237-Q278 PolarHBondContact OH-OE1 3.02Å; F274-Q278 HydrophobicContact CE1-CG 4.36Å; F274-Q278 HydrophobicContact CZ-CG 4.4Å; F274-Q278 WeakPolarHBondContact O-CG 3.31Å; F274-Q278 PolarHBondContact O-N 3.37Å; F274-Q278 VanDerWaalsContact O-N 3.14Å; G275-Q278 PolarHBondContact O-N 2.86Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.5Å; Q278-F282 VanDerWaalsContact O-CB 3.29Å; Q278-F282 WeakPolarHBondContact O-CB 3.46Å; Q278-F282 PolarHBondContact O-N 3.49Å
279I87.1Confident88.3Confident80 Ų8065.5 Ų65.541%0.4134%0.339SS..Hα-helixtrans-61.7-49.3178.4-65168.3000110.2G275 L276 A281 F282 V283 V306G275-I279 WeakPolarHBondContact O-CG1 3.49Å; G275-I279 PolarHBondContact O-N 3.26Å; G275-I279 VanDerWaalsContact O-N 3.08Å; L276-I279 PolarHBondContact O-N 3.44Å; I279-A281 PolarHBondContact O-N 3.34Å; I279-F282 PolarHBondContact O-N 3.46Å; I279-V283 HydrophobicContact CG2-CG2 4.14Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.21Å; I279-V283 PolarHBondContact O-N 3.47Å; I279-V306 HydrophobicContact CD1-CG1 4.41Å
280H85Confident88.3Confident73 Ų7366 Ų6634%0.33834%0.335SS..Hα-helixtrans-60.8-46.7-178.2-174.2-79.8000111.9F232 L276 F282 V283 D284F232-H280 AromaticContact CD1-CE1 3.6Å; F232-H280 AromaticContact CD1-ND1 3.3Å; F232-H280 VanDerWaalsContact CD1-ND1 3.3Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.34Å; F232-H280 AromaticContact CE1-ND1 3.61Å; F232-H280 AromaticContact CG-CE1 4Å; F232-H280 AromaticContact CG-ND1 3.93Å; L276-H280 VanDerWaalsContact O-CB 3.25Å; L276-H280 WeakPolarHBondContact O-CB 3.3Å; L276-H280 PolarHBondContact O-N 3.36Å; H280-F282 PolarHBondContact O-N 3.21Å; H280-V283 PolarHBondContact O-N 3.4Å; H280-D284 WeakPolarHBondContact O-CB 3.42Å; H280-D284 PolarHBondContact O-N 2.96Å
281A88.7Confident88Confident19 Ų1971.7 Ų71.716%0.15737%0.365CS..Hα-helixtrans-64.5-39.6178.400000112.6Y237 C277 I279 D284 Y285Y237-A281 HydrophobicContact CD2-CB 3.77Å; Y237-A281 HydrophobicContact CE2-CB 3.76Å; Y237-A281 HydrophobicContact CG-CB 4.48Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.12Å; I279-A281 PolarHBondContact O-N 3.34Å; A281-D284 PolarHBondContact O-N 3.28Å; A281-Y285 WeakPolarHBondContact O-CB 3.06Å; A281-Y285 PolarHBondContact O-N 3.3Å
282F88Confident87.6Confident126 Ų12669.8 Ų69.855%0.55337%0.372SS*.Hα-helixtrans-68.4-41.7177.6-177.1-109.4000112.4Q278 I279 H280 D284 Y285 L286Q278-F282 VanDerWaalsContact O-CB 3.29Å; Q278-F282 WeakPolarHBondContact O-CB 3.46Å; Q278-F282 PolarHBondContact O-N 3.49Å; I279-F282 PolarHBondContact O-N 3.46Å; H280-F282 PolarHBondContact O-N 3.21Å; F282-D284 VanDerWaalsContact C-N 3.34Å; F282-Y285 PolarHBondContact O-N 3.23Å; F282-L286 HydrophobicContact CD1-CD1 3.87Å; F282-L286 HydrophobicContact CD2-CD1 3.98Å; F282-L286 HydrophobicContact CE1-CD1 3.42Å; F282-L286 VanDerWaalsContact CE1-CD1 3.42Å; F282-L286 HydrophobicContact CE2-CD1 3.54Å; F282-L286 HydrophobicContact CG-CD1 4.14Å; F282-L286 HydrophobicContact CZ-CD1 3.25Å; F282-L286 WeakPolarHBondContact O-CD1 3.38Å; F282-L286 PolarHBondContact O-N 3.28Å
283V85.6Confident87.1Confident28 Ų2875.4 Ų75.417%0.1739%0.387CS..Hα-helixtrans-62.2-42.8175.7169.70000110.8I279 H280 L286 R287 F295 F299I279-V283 HydrophobicContact CG2-CG2 4.14Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 WeakPolarHBondContact O-CG2 3.21Å; I279-V283 PolarHBondContact O-N 3.47Å; H280-V283 PolarHBondContact O-N 3.4Å; V283-L286 PolarHBondContact O-N 3.38Å; V283-R287 WeakPolarHBondContact O-CB 3.24Å; V283-R287 PolarHBondContact O-N 2.97Å; V283-F295 HydrophobicContact CG1-CE2 4.12Å; V283-F295 HydrophobicContact CG1-CZ 3.72Å; V283-F299 HydrophobicContact CG1-CD2 4.18Å; V283-F299 HydrophobicContact CG1-CE2 3.87Å; V283-F299 HydrophobicContact CG2-CE2 4.37Å
284D85.1Confident86.5Confident75 Ų7580.3 Ų80.340%0.40141%0.409SS..Hα-helixtrans-65.6-39.8178-158.635.7000111.6H280 A281 F282 R287 S288H280-D284 WeakPolarHBondContact O-CB 3.42Å; H280-D284 PolarHBondContact O-N 2.96Å; A281-D284 PolarHBondContact O-N 3.28Å; F282-D284 VanDerWaalsContact C-N 3.34Å; D284-R287 PolarHBondContact O-N 3.35Å; D284-S288 PolarHBondContact O-N 2.69Å
285Y87.9Confident86Confident138 Ų13879.5 Ų79.554%0.54141%0.405SS..Hα-helixtrans-61-47.5171.8175.9-107.6000112.4A281 F282 R287 S288 K289A281-Y285 WeakPolarHBondContact O-CB 3.06Å; A281-Y285 PolarHBondContact O-N 3.3Å; F282-Y285 PolarHBondContact O-N 3.23Å; Y285-R287 VanDerWaalsContact C-N 3.33Å; Y285-R287 PolarHBondContact O-N 2.94Å; Y285-S288 PolarHBondContact O-N 3.2Å; Y285-S288 PolarHBondContact O-OG 3.14Å; Y285-K289 HydrophobicContact CE2-CG 4.26Å; Y285-K289 PolarHBondContact O-N 3.31Å
286L86.4Confident85.5Confident29 Ų2983 Ų8315%0.15241%0.414CS..Hα-helixtrans-61.9-41.1177-103.986.9000112.3F282 V283 S288 K289 L290 F295 L298F282-L286 HydrophobicContact CD1-CD1 3.87Å; F282-L286 HydrophobicContact CD2-CD1 3.98Å; F282-L286 HydrophobicContact CE1-CD1 3.42Å; F282-L286 VanDerWaalsContact CE1-CD1 3.42Å; F282-L286 HydrophobicContact CE2-CD1 3.54Å; F282-L286 HydrophobicContact CG-CD1 4.14Å; F282-L286 HydrophobicContact CZ-CD1 3.25Å; F282-L286 WeakPolarHBondContact O-CD1 3.38Å; F282-L286 PolarHBondContact O-N 3.28Å; V283-L286 PolarHBondContact O-N 3.38Å; L286-S288 PolarHBondContact O-N 2.9Å; L286-K289 PolarHBondContact O-N 3.28Å; L286-L290 HydrophobicContact CD2-CD1 3.91Å; L286-L290 HydrophobicContact CG-CD1 4.31Å; L286-L290 PolarHBondContact O-N 3.4Å; L286-L290 VanDerWaalsContact O-N 3.07Å; L286-F295 HydrophobicContact CB-CE2 4.37Å; L286-L298 HydrophobicContact CD2-CD2 3.52Å
287R83.1Confident85.1Confident140 Ų14085.3 Ų85.353%0.52843%0.425SS..Hα-helixtrans-58.6-32.9177.4-173-177.2-76.6169.1-6.1111.6V283 D284 Y285 K289 F295V283-R287 WeakPolarHBondContact O-CB 3.24Å; V283-R287 PolarHBondContact O-N 2.97Å; D284-R287 PolarHBondContact O-N 3.35Å; Y285-R287 VanDerWaalsContact C-N 3.33Å; Y285-R287 PolarHBondContact O-N 2.94Å; R287-K289 VanDerWaalsContact C-N 3.33Å; R287-F295 HydrophobicContact CB-CD2 4.12Å; R287-F295 HydrophobicContact CB-CE2 3.73Å; R287-F295 HydrophobicContact CB-CZ 4.06Å; R287-F295 HydrophobicContact CG-CE2 4.4Å; R287-F295 HydrophobicContact CG-CZ 4.39Å
288S86.9Confident84.5Confident88 Ų8888.8 Ų88.862%0.61544%0.443SS*.Hα-helixtrans-74.2-20176.579.70000114.5D284 Y285 L286D284-S288 PolarHBondContact O-N 2.69Å; Y285-S288 PolarHBondContact O-N 3.2Å; Y285-S288 PolarHBondContact O-OG 3.14Å; L286-S288 PolarHBondContact O-N 2.9Å
289K88.6Confident83.8Confident146 Ų14689.2 Ų89.264%0.63544%0.444SS*.Hα-helixtrans-104.9-17.5-174.4-66.1-63-175.9-177.10114.3Y285 L286 R287Y285-K289 HydrophobicContact CE2-CG 4.26Å; Y285-K289 PolarHBondContact O-N 3.31Å; L286-K289 PolarHBondContact O-N 3.28Å; R287-K289 VanDerWaalsContact C-N 3.33Å
290L86.9Confident83.2Confident57 Ų5791.7 Ų91.730%0.29845%0.452SS..SBendtrans-115.4151.7-173.9-64.5175.9000112.4L286 F295 L298L286-L290 HydrophobicContact CD2-CD1 3.91Å; L286-L290 HydrophobicContact CG-CD1 4.31Å; L286-L290 PolarHBondContact O-N 3.4Å; L286-L290 VanDerWaalsContact O-N 3.07Å; L290-F295 HydrophobicContact CB-CB 4.37Å; L290-L298 HydrophobicContact CD1-CD1 4.3Å
291N85.5Confident82.5Confident121 Ų12191.7 Ų91.765%0.64746%0.46SS*.  trans-69.6146.5170.7-73.5-8.9000110.8Q293 Q294 F295N291-Q293 VanDerWaalsContact C-N 3.27Å; N291-Q293 PolarHBondContact O-N 3.41Å; N291-Q293 VanDerWaalsContact O-N 3.11Å; N291-Q294 PolarHBondContact O-N 3.48Å; N291-F295 PolarHBondContact O-N 2.65Å
292A81.1Confident81.8Confident82 Ų8293.6 Ų93.668%0.67847%0.47SS*.Hα-helixtrans-53.4-38-172.300000114.3E296A292-E296 PolarHBondContact O-N 2.87Å
293Q79.4Confident81.1Confident162 Ų16291.9 Ų91.976%0.75747%0.465SS*.Hα-helixtrans-70.5-39.4178.6-67.2177.8-11.500112.9N291 I297N291-Q293 VanDerWaalsContact C-N 3.27Å; N291-Q293 PolarHBondContact O-N 3.41Å; N291-Q293 VanDerWaalsContact O-N 3.11Å; Q293-I297 WeakPolarHBondContact O-CG1 3.41Å; Q293-I297 PolarHBondContact O-N 2.71Å
294Q79.1Confident80.2Confident115 Ų11594.5 Ų94.554%0.53749%0.485SS..Hα-helixtrans-71.5-36.2176.5-69.6174.5-23.800111.1N291 L298N291-Q294 PolarHBondContact O-N 3.48Å; Q294-L298 WeakPolarHBondContact O-CB 3.08Å; Q294-L298 PolarHBondContact O-N 2.92Å; Q294-L298 VanDerWaalsContact O-N 3.1Å
295F81.8Confident79.7Confident23 Ų2396.1 Ų96.110%0.10149%0.493CS..Hα-helixtrans-63.1-42.6174.4178.7-95000111.7V283 L286 R287 L290 N291 I297 L298 F299V283-F295 HydrophobicContact CG1-CE2 4.12Å; V283-F295 HydrophobicContact CG1-CZ 3.72Å; L286-F295 HydrophobicContact CB-CE2 4.37Å; R287-F295 HydrophobicContact CB-CD2 4.12Å; R287-F295 HydrophobicContact CB-CE2 3.73Å; R287-F295 HydrophobicContact CB-CZ 4.06Å; R287-F295 HydrophobicContact CG-CE2 4.4Å; R287-F295 HydrophobicContact CG-CZ 4.39Å; L290-F295 HydrophobicContact CB-CB 4.37Å; N291-F295 PolarHBondContact O-N 2.65Å; F295-I297 VanDerWaalsContact C-N 3.35Å; F295-I297 PolarHBondContact O-N 3.37Å; F295-L298 PolarHBondContact O-N 3.41Å; F295-F299 HydrophobicContact CD1-CB 4.47Å; F295-F299 HydrophobicContact CE1-CB 4.21Å; F295-F299 HydrophobicContact CE1-CD2 4.27Å; F295-F299 HydrophobicContact CE1-CG 4.23Å; F295-F299 HydrophobicContact CZ-CB 4.43Å; F295-F299 AromaticContact CZ-CD2 3.95Å; F295-F299 HydrophobicContact CZ-CD2 3.95Å; F295-F299 HydrophobicContact CZ-CG 4.34Å; F295-F299 WeakPolarHBondContact O-CB 3.34Å; F295-F299 PolarHBondContact O-N 3.47Å
296E79.4Confident78.9Confident103 Ų10391.9 Ų91.948%0.48148%0.481SS..Hα-helixtrans-63.8-39.3-178.5-151-164148.800112.7A292 K300A292-E296 PolarHBondContact O-N 2.87Å; E296-K300 WeakPolarHBondContact O-CG 3.1Å; E296-K300 PolarHBondContact O-N 3.05Å; E296-K300 VanDerWaalsContact O-N 3.1Å; E296-K300 WeakPolarHBondContact OE1-CE 3.44Å; E296-K300 IonicContact OE1-NZ 3.5Å; E296-K300 PolarHBondContact OE1-NZ 3.37Å
297I79.4Confident78.2Confident120 Ų12092 Ų9262%0.61549%0.49SS*.Hα-helixtrans-68-44.8176.9-63.7168.8000110.8Q293 F295 S301Q293-I297 WeakPolarHBondContact O-CG1 3.41Å; Q293-I297 PolarHBondContact O-N 2.71Å; F295-I297 VanDerWaalsContact C-N 3.35Å; F295-I297 PolarHBondContact O-N 3.37Å; I297-S301 PolarHBondContact O-N 3.42Å; I297-S301 VanDerWaalsContact O-N 3.13Å; I297-S301 PolarHBondContact O-OG 3.05Å
298L78.6Confident77.8Confident74 Ų7492.6 Ų92.639%0.38750%0.497SS..Hα-helixtrans-70-38.1-179.5-162145.9000111.3L286 L290 Q294 F295 S301 V302L286-L298 HydrophobicContact CD2-CD2 3.52Å; L290-L298 HydrophobicContact CD1-CD1 4.3Å; Q294-L298 WeakPolarHBondContact O-CB 3.08Å; Q294-L298 PolarHBondContact O-N 2.92Å; Q294-L298 VanDerWaalsContact O-N 3.1Å; F295-L298 PolarHBondContact O-N 3.41Å; L298-S301 PolarHBondContact O-N 3.01Å; L298-V302 HydrophobicContact CD2-CG2 3.78Å; L298-V302 WeakPolarHBondContact O-CB 3.28Å; L298-V302 VanDerWaalsContact O-CG2 3.28Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 3.42Å
299F77.2Confident77.4Confident75 Ų7592.5 Ų92.533%0.32949%0.489SS..Hα-helixtrans-63.9-44.7176.2-173.8-109.2000112.1V283 F295 S301 V302 I303V283-F299 HydrophobicContact CG1-CD2 4.18Å; V283-F299 HydrophobicContact CG1-CE2 3.87Å; V283-F299 HydrophobicContact CG2-CE2 4.37Å; F295-F299 HydrophobicContact CD1-CB 4.47Å; F295-F299 HydrophobicContact CE1-CB 4.21Å; F295-F299 HydrophobicContact CE1-CD2 4.27Å; F295-F299 HydrophobicContact CE1-CG 4.23Å; F295-F299 HydrophobicContact CZ-CB 4.43Å; F295-F299 AromaticContact CZ-CD2 3.95Å; F295-F299 HydrophobicContact CZ-CD2 3.95Å; F295-F299 HydrophobicContact CZ-CG 4.34Å; F295-F299 WeakPolarHBondContact O-CB 3.34Å; F295-F299 PolarHBondContact O-N 3.47Å; F299-S301 VanDerWaalsContact C-N 3.32Å; F299-S301 PolarHBondContact O-N 3.05Å; F299-V302 PolarHBondContact O-N 3.22Å; F299-I303 HydrophobicContact CD1-CD1 3.64Å; F299-I303 HydrophobicContact CD2-CD1 4.07Å; F299-I303 HydrophobicContact CE1-CD1 3.23Å; F299-I303 HydrophobicContact CE2-CD1 3.69Å; F299-I303 HydrophobicContact CE2-CG1 4.38Å; F299-I303 HydrophobicContact CG-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 3.28Å; F299-I303 HydrophobicContact CZ-CG1 4.4Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.34Å; F299-I303 PolarHBondContact O-N 3.07Å
300K72.7Confident76.5Confident131 Ų13191 Ų9157%0.5749%0.487SS*.Hα-helixtrans-61.6-39.3173.7-76.7175.2-173.71630112.1E296 S304E296-K300 WeakPolarHBondContact O-CG 3.1Å; E296-K300 PolarHBondContact O-N 3.05Å; E296-K300 VanDerWaalsContact O-N 3.1Å; E296-K300 WeakPolarHBondContact OE1-CE 3.44Å; E296-K300 IonicContact OE1-NZ 3.5Å; E296-K300 PolarHBondContact OE1-NZ 3.37Å; K300-S304 WeakPolarHBondContact O-CB 3.49Å; K300-S304 PolarHBondContact O-N 2.9Å; K300-S304 VanDerWaalsContact O-N 3.11Å
301S70.8Confident75.7Confident73 Ų7394.6 Ų94.651%0.5151%0.506SS..Hα-helixtrans-70-43.1178.7-57.70000112.5I297 L298 F299 S304 L305I297-S301 PolarHBondContact O-N 3.42Å; I297-S301 VanDerWaalsContact O-N 3.13Å; I297-S301 PolarHBondContact O-OG 3.05Å; L298-S301 PolarHBondContact O-N 3.01Å; F299-S301 VanDerWaalsContact C-N 3.32Å; F299-S301 PolarHBondContact O-N 3.05Å; S301-S304 PolarHBondContact O-N 2.93Å; S301-L305 WeakPolarHBondContact O-CB 3.4Å; S301-L305 PolarHBondContact O-N 3.32Å
302V74.5Confident74.9Confident59 Ų5991.2 Ų91.236%0.35849%0.492SS..Hα-helixtrans-69.5-40.8178.7170.40000111.4L298 F299 S304 L305 V306L298-V302 HydrophobicContact CD2-CG2 3.78Å; L298-V302 WeakPolarHBondContact O-CB 3.28Å; L298-V302 VanDerWaalsContact O-CG2 3.28Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 3.42Å; F299-V302 PolarHBondContact O-N 3.22Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 2.93Å; V302-L305 PolarHBondContact O-N 3.12Å; V302-V306 HydrophobicContact CG1-CG2 3.99Å; V302-V306 VanDerWaalsContact O-CB 3.29Å; V302-V306 WeakPolarHBondContact O-CB 3.49Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3.41Å
303I72.3Confident74.6Confident90 Ų9090.9 Ų90.946%0.46248%0.481SS..Hα-helixtrans-64-40.5175.2-74.7174.4000111.3F299 G307F299-I303 HydrophobicContact CD1-CD1 3.64Å; F299-I303 HydrophobicContact CD2-CD1 4.07Å; F299-I303 HydrophobicContact CE1-CD1 3.23Å; F299-I303 HydrophobicContact CE2-CD1 3.69Å; F299-I303 HydrophobicContact CE2-CG1 4.38Å; F299-I303 HydrophobicContact CG-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 3.28Å; F299-I303 HydrophobicContact CZ-CG1 4.4Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.34Å; F299-I303 PolarHBondContact O-N 3.07Å; I303-G307 WeakPolarHBondContact O-CA 3.29Å; I303-G307 PolarHBondContact O-N 3.18Å
304S67.3Low73.9Confident84 Ų8484.8 Ų84.859%0.58746%0.461SS*.Hα-helixtrans-61.3-45.3175.3-176.80000111.4K300 S301 V302 F308K300-S304 WeakPolarHBondContact O-CB 3.49Å; K300-S304 PolarHBondContact O-N 2.9Å; K300-S304 VanDerWaalsContact O-N 3.11Å; S301-S304 PolarHBondContact O-N 2.93Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 2.93Å; S304-F308 WeakPolarHBondContact O-CB 3.46Å; S304-F308 PolarHBondContact O-N 3.07Å
305L74.1Confident73.2Confident109 Ų10981.4 Ų81.457%0.57145%0.454SS*.Hα-helixtrans-66.6-49.6178.6-168.584.6000112.5S301 V302 G307 F308 I309S301-L305 WeakPolarHBondContact O-CB 3.4Å; S301-L305 PolarHBondContact O-N 3.32Å; V302-L305 PolarHBondContact O-N 3.12Å; L305-G307 VanDerWaalsContact C-N 3.34Å; L305-F308 PolarHBondContact O-N 2.89Å; L305-I309 HydrophobicContact CD2-CD1 4.41Å; L305-I309 HydrophobicContact CG-CD1 4.09Å; L305-I309 VanDerWaalsContact O-CG1 3.28Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 3.31Å
306V72.6Confident72.7Confident48 Ų4884.5 Ų84.529%0.29147%0.474SS..Hα-helixtrans-66.5-39179.6171.60000110.5I279 V302 I309 L310I279-V306 HydrophobicContact CD1-CG1 4.41Å; V302-V306 HydrophobicContact CG1-CG2 3.99Å; V302-V306 VanDerWaalsContact O-CB 3.29Å; V302-V306 WeakPolarHBondContact O-CB 3.49Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3.41Å; V306-I309 PolarHBondContact O-N 3.11Å; V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 WeakPolarHBondContact O-CB 3.37Å; V306-L310 PolarHBondContact O-N 3.4Å
307G71Confident72.1Confident33 Ų3383.1 Ų83.134%0.3447%0.469SS..Hα-helixtrans-59.7-46.9172.400000111.6I303 L305 I309 L310 L311I303-G307 WeakPolarHBondContact O-CA 3.29Å; I303-G307 PolarHBondContact O-N 3.18Å; L305-G307 VanDerWaalsContact C-N 3.34Å; G307-I309 PolarHBondContact O-N 2.87Å; G307-L310 PolarHBondContact O-N 3.15Å; G307-L311 VanDerWaalsContact O-CB 3.23Å; G307-L311 WeakPolarHBondContact O-CB 3.33Å; G307-L311 PolarHBondContact O-N 3.39Å
308F75.6Confident71.1Confident152 Ų15285.5 Ų85.567%0.66748%0.48SS*.Hα-helixtrans-62.5-42.3176.1-175.2-97.8000112.6S304 L305 L311 S312S304-F308 WeakPolarHBondContact O-CB 3.46Å; S304-F308 PolarHBondContact O-N 3.07Å; L305-F308 PolarHBondContact O-N 2.89Å; F308-L311 PolarHBondContact O-N 2.95Å; F308-S312 WeakPolarHBondContact O-CB 3.49Å; F308-S312 PolarHBondContact O-N 3.28Å; F308-S312 PolarHBondContact O-OG 2.8Å
309I77.1Confident70.3Confident86 Ų8689.2 Ų89.244%0.44150%0.5SS..Hα-helixtrans-66.5-44.2177.3-67.8166.5000111.2L305 V306 G307 L311 S312 V313L305-I309 HydrophobicContact CD2-CD1 4.41Å; L305-I309 HydrophobicContact CG-CD1 4.09Å; L305-I309 VanDerWaalsContact O-CG1 3.28Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 3.31Å; V306-I309 PolarHBondContact O-N 3.11Å; G307-I309 PolarHBondContact O-N 2.87Å; I309-L311 VanDerWaalsContact C-N 3.34Å; I309-L311 PolarHBondContact O-N 3.44Å; I309-S312 WeakPolarHBondContact CA-OG 3.42Å; I309-S312 PolarHBondContact O-N 3.08Å; I309-S312 PolarHBondContact O-OG 3.17Å; I309-V313 HydrophobicContact CG2-CG2 4.18Å; I309-V313 VanDerWaalsContact O-CB 3.26Å; I309-V313 WeakPolarHBondContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CG2 3.31Å; I309-V313 PolarHBondContact O-N 3.31Å
310L70.5Confident69.9Low113 Ų11389 Ų8959%0.59250%0.504SS*.Hα-helixtrans-65-38.3177-89.1161.2000112.2V306 G307 G314V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 WeakPolarHBondContact O-CB 3.37Å; V306-L310 PolarHBondContact O-N 3.4Å; G307-L310 PolarHBondContact O-N 3.15Å; L310-G314 WeakPolarHBondContact O-CA 3.49Å; L310-G314 PolarHBondContact O-N 3.03Å
311L70.6Confident69.5Low134 Ų13485.6 Ų85.670%0.70251%0.507SS*.Hα-helixtrans-72.3-37.2-179.7-145.4148.5000111G307 F308 I309 A315G307-L311 VanDerWaalsContact O-CB 3.23Å; G307-L311 WeakPolarHBondContact O-CB 3.33Å; G307-L311 PolarHBondContact O-N 3.39Å; F308-L311 PolarHBondContact O-N 2.95Å; I309-L311 VanDerWaalsContact C-N 3.34Å; I309-L311 PolarHBondContact O-N 3.44Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 2.9Å
312S68.8Low69.4Low50 Ų5089.9 Ų89.935%0.3552%0.516SS..Hα-helixtrans-72.2-45.1174.448.10000112.8F308 I309 A315 V316F308-S312 WeakPolarHBondContact O-CB 3.49Å; F308-S312 PolarHBondContact O-N 3.28Å; F308-S312 PolarHBondContact O-OG 2.8Å; I309-S312 WeakPolarHBondContact CA-OG 3.42Å; I309-S312 PolarHBondContact O-N 3.08Å; I309-S312 PolarHBondContact O-OG 3.17Å; S312-A315 PolarHBondContact O-N 3.46Å; S312-V316 WeakPolarHBondContact O-CB 3.3Å; S312-V316 VanDerWaalsContact O-CG2 3.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.47Å; S312-V316 PolarHBondContact O-N 2.89Å
313V73.1Confident69Low74 Ų7490.1 Ų90.145%0.44852%0.515SS..Hα-helixtrans-65.7-40.8174.7172.10000111.2I309 V316 L317I309-V313 HydrophobicContact CG2-CG2 4.18Å; I309-V313 VanDerWaalsContact O-CB 3.26Å; I309-V313 WeakPolarHBondContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CG2 3.31Å; I309-V313 PolarHBondContact O-N 3.31Å; V313-V316 PolarHBondContact O-N 3.32Å; V313-L317 HydrophobicContact CG1-CD1 3.64Å; V313-L317 HydrophobicContact CG1-CG 4.33Å; V313-L317 WeakPolarHBondContact O-CB 3.18Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 3.47Å; V313-L317 PolarHBondContact O-N 3.21Å
314G65.4Low68.9Low34 Ų3488.8 Ų88.835%0.35151%0.513SS..Hα-helixtrans-63-43.8175.200000112.4L310 L317 M318L310-G314 WeakPolarHBondContact O-CA 3.49Å; L310-G314 PolarHBondContact O-N 3.03Å; G314-L317 PolarHBondContact O-N 3.27Å; G314-M318 VanDerWaalsContact O-CB 3.24Å; G314-M318 WeakPolarHBondContact O-CB 3.46Å; G314-M318 PolarHBondContact O-N 3.37Å
315A64.6Low69.3Low45 Ų4589.9 Ų89.937%0.37252%0.519SS..Hα-helixtrans-62.4-42.3173.900000111.9L311 S312 M318 L319L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.46Å; A315-M318 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-CB 3.26Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 WeakPolarHBondContact O-CD1 3.47Å; A315-L319 WeakPolarHBondContact O-CG 3.38Å; A315-L319 PolarHBondContact O-N 3.08Å
316V70.5Confident69.3Low88 Ų8890.3 Ų90.353%0.53351%0.513SS..Hα-helixtrans-66.6-41.9177.2170.60000111.8S312 V313 M318 L319 T320S312-V316 WeakPolarHBondContact O-CB 3.3Å; S312-V316 VanDerWaalsContact O-CG2 3.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.47Å; S312-V316 PolarHBondContact O-N 2.89Å; V313-V316 PolarHBondContact O-N 3.32Å; V316-M318 VanDerWaalsContact C-N 3.35Å; V316-L319 PolarHBondContact O-N 3.5Å; V316-T320 HydrophobicContact CG1-CG2 4.3Å; V316-T320 WeakPolarHBondContact O-CB 3.45Å; V316-T320 VanDerWaalsContact O-CG2 3.22Å; V316-T320 WeakPolarHBondContact O-CG2 3.29Å; V316-T320 PolarHBondContact O-N 2.96Å; V316-T320 PolarHBondContact O-OG1 3.24Å
317L66.9Low69.5Low73 Ų7391.1 Ų91.138%0.38252%0.518SS..Hα-helixtrans-66.5-37.3176.9-76.4164.4000111.9V313 G314 T320 G321 I323V313-L317 HydrophobicContact CG1-CD1 3.64Å; V313-L317 HydrophobicContact CG1-CG 4.33Å; V313-L317 WeakPolarHBondContact O-CB 3.18Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 3.47Å; V313-L317 PolarHBondContact O-N 3.21Å; G314-L317 PolarHBondContact O-N 3.27Å; L317-T320 PolarHBondContact O-OG1 2.89Å; L317-G321 PolarHBondContact O-N 2.91Å; L317-I323 HydrophobicContact CB-CD1 4.34Å; L317-I323 HydrophobicContact CD2-CD1 4.32Å; L317-I323 HydrophobicContact CD2-CG1 4.44Å
318M59.7Low69.4Low170 Ų17090.7 Ų90.784%0.83751%0.514SS*.Hα-helixtrans-71.7-39.3176.9-164172.5-176.200112G314 A315 V316G314-M318 VanDerWaalsContact O-CB 3.24Å; G314-M318 WeakPolarHBondContact O-CB 3.46Å; G314-M318 PolarHBondContact O-N 3.37Å; A315-M318 PolarHBondContact O-N 2.94Å; V316-M318 VanDerWaalsContact C-N 3.35Å
319L61.3Low69.2Low153 Ų15389.5 Ų89.580%0.80151%0.505SS*.Hα-helixtrans-71.7-29.6176.7-74.3168.1000113.4A315 V316A315-L319 VanDerWaalsContact O-CB 3.26Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 WeakPolarHBondContact O-CD1 3.47Å; A315-L319 WeakPolarHBondContact O-CG 3.38Å; A315-L319 PolarHBondContact O-N 3.08Å; V316-L319 PolarHBondContact O-N 3.5Å
320T68.3Low69.2Low69 Ų6988.2 Ų88.242%0.42350%0.496SS..Hα-helixtrans-87.6-9.7-177.152.90000114.1V316 L317 K322V316-T320 HydrophobicContact CG1-CG2 4.3Å; V316-T320 WeakPolarHBondContact O-CB 3.45Å; V316-T320 VanDerWaalsContact O-CG2 3.22Å; V316-T320 WeakPolarHBondContact O-CG2 3.29Å; V316-T320 PolarHBondContact O-N 2.96Å; V316-T320 PolarHBondContact O-OG1 3.24Å; L317-T320 PolarHBondContact O-OG1 2.89Å; T320-K322 PolarHBondContact O-N 3.4Å
321G64.8Low69.8Low61 Ų6187.1 Ų87.163%0.62949%0.485SS*.THydrogen-bonded Turntrans58.516.3177.900000114.6L317 I323L317-G321 PolarHBondContact O-N 2.91Å; G321-I323 VanDerWaalsContact C-N 3.33Å; G321-I323 PolarHBondContact O-N 2.82Å
322K68.8Low70.2Confident162 Ų16281.2 Ų81.270%0.70446%0.455SS*.  trans-76-18.6-173.9-75.7-173177.5-177.40113.7T320T320-K322 PolarHBondContact O-N 3.4Å
323I66.9Low70.7Confident65 Ų6579.9 Ų79.933%0.33344%0.444SS..SBendtrans-86.1116.6171.6-61176.2000107.4L317 G321L317-I323 HydrophobicContact CB-CD1 4.34Å; L317-I323 HydrophobicContact CD2-CD1 4.32Å; L317-I323 HydrophobicContact CD2-CG1 4.44Å; G321-I323 VanDerWaalsContact C-N 3.33Å; G321-I323 PolarHBondContact O-N 2.82Å
324S69.2Low71.1Confident61 Ų6180.3 Ų80.343%0.42744%0.443SS..BIsolated β-bridgetrans-64.7136.1176.7-55.90000109.7Q263 S265Q263-S324 PolarHBondContact O-N 3.41Å; Q263-S324 VanDerWaalsContact O-N 3.12Å; S265-S324 PolarHBondContact N-O 2.7Å
325P76.4Confident72Confident108 Ų10881.3 Ų81.370%0.70144%0.44SS*.PPolyproline II helixtrans-63.9168.9174.829.1-34.9000110.9T327P325-T327 PolarHBondContact O-N 2.9Å
326W74.2Confident72.6Confident117 Ų11782.6 Ų82.644%0.44345%0.445SS..PPolyproline II helixtrans-51.5135.7174.6-63.387.8000110.7S265 E266 Y331 L334S265-W326 WeakPolarHBondContact OG-CA 3.45Å; S265-W326 PolarHBondContact OG-N 3.38Å; E266-W326 HydrophobicContact CG-CE3 3.82Å; E266-W326 HydrophobicContact CG-CZ3 4.06Å; W326-Y331 HydrophobicContact CB-CD2 4.18Å; W326-Y331 HydrophobicContact CG-CD2 4.46Å; W326-L334 HydrophobicContact CD2-CD1 4.48Å; W326-L334 HydrophobicContact CE3-CD1 4.32Å; W326-L334 HydrophobicContact CH2-CD1 4.36Å; W326-L334 HydrophobicContact CZ3-CD1 4.26Å
327T76Confident73.1Confident65 Ų6581.4 Ų81.440%0.39944%0.44SS..PPolyproline II helixtrans-67.7146.917465.50000109.9E266 P325 R329 F330 Y331E266-T327 WeakPolarHBondContact OE1-CB 3.39Å; E266-T327 WeakPolarHBondContact OE1-CG2 3.45Å; E266-T327 PolarHBondContact OE1-N 2.84Å; E266-T327 PolarHBondContact OE1-OG1 2.88Å; P325-T327 PolarHBondContact O-N 2.9Å; T327-R329 PolarHBondContact O-N 3.24Å; T327-R329 VanDerWaalsContact O-N 3.1Å; T327-F330 PolarHBondContact O-N 3.44Å; T327-F330 VanDerWaalsContact O-N 3.13Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.45Å; T327-Y331 WeakPolarHBondContact O-CB 3.28Å; T327-Y331 PolarHBondContact O-N 2.85Å
328G69.5Low73.8Confident25 Ų2581.7 Ų81.726%0.25844%0.437SS..Hα-helixtrans-56.2-32.9-173.700000114.1S332G328-S332 WeakPolarHBondContact O-CB 3.32Å; G328-S332 PolarHBondContact O-N 3.2Å
329R70.9Confident74.6Confident126 Ų12674 Ų7448%0.47540%0.401SS..Hα-helixtrans-68-47.3177.8-174.3179.7178.91784112.1T327 S332T327-R329 PolarHBondContact O-N 3.24Å; T327-R329 VanDerWaalsContact O-N 3.1Å; R329-S332 PolarHBondContact O-N 3.4Å; R329-S332 PolarHBondContact O-OG 2.97Å
330F77.6Confident75.2Confident60 Ų6074.6 Ų74.626%0.26340%0.397SS..Hα-helixtrans-73.2-34.2177.5-75.4-73000111.8V213 E266 T327 S332 L333V213-F330 HydrophobicContact CB-CE1 4.01Å; V213-F330 HydrophobicContact CB-CE2 4.38Å; V213-F330 HydrophobicContact CB-CZ 3.71Å; V213-F330 HydrophobicContact CG1-CD1 4.42Å; V213-F330 HydrophobicContact CG1-CE1 3.97Å; V213-F330 HydrophobicContact CG1-CE2 4.4Å; V213-F330 HydrophobicContact CG1-CZ 3.96Å; V213-F330 HydrophobicContact CG2-CE2 4.13Å; V213-F330 HydrophobicContact CG2-CZ 3.83Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.49Å; T327-F330 PolarHBondContact O-N 3.44Å; T327-F330 VanDerWaalsContact O-N 3.13Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.45Å; F330-S332 VanDerWaalsContact C-N 3.29Å; F330-S332 PolarHBondContact O-N 3.16Å; F330-L333 HydrophobicContact CD1-CD1 4.13Å; F330-L333 WeakPolarHBondContact O-CB 3.32Å; F330-L333 PolarHBondContact O-N 3.34Å; F330-L333 VanDerWaalsContact O-N 3.09Å
331Y82.1Confident75.7Confident90 Ų9076.9 Ų76.935%0.35341%0.406SS..Hα-helixtrans-61.2-39174.1-170-104.9000111.8W326 T327 L333 L334 D335 Y338W326-Y331 HydrophobicContact CB-CD2 4.18Å; W326-Y331 HydrophobicContact CG-CD2 4.46Å; T327-Y331 WeakPolarHBondContact O-CB 3.28Å; T327-Y331 PolarHBondContact O-N 2.85Å; Y331-L333 PolarHBondContact O-N 2.9Å; Y331-L333 VanDerWaalsContact O-N 3.16Å; Y331-L334 PolarHBondContact O-N 3.03Å; Y331-D335 HydrophobicContact CE1-CB 4.07Å; Y331-D335 PolarHBondContact O-N 3.11Å; Y331-Y338 AromaticContact CD1-CD1 3.87Å; Y331-Y338 HydrophobicContact CD1-CD1 3.87Å; Y331-Y338 AromaticContact CD1-CD2 3.96Å; Y331-Y338 HydrophobicContact CD1-CD2 3.96Å; Y331-Y338 HydrophobicContact CD1-CE1 4.38Å; Y331-Y338 HydrophobicContact CD1-CE2 4.46Å; Y331-Y338 AromaticContact CD1-CG 3.64Å; Y331-Y338 HydrophobicContact CD1-CG 3.64Å; Y331-Y338 HydrophobicContact CE1-CD1 4.39Å; Y331-Y338 AromaticContact CE1-CD2 3.63Å; Y331-Y338 HydrophobicContact CE1-CD2 3.63Å; Y331-Y338 HydrophobicContact CE1-CE2 4.24Å; Y331-Y338 AromaticContact CE1-CG 3.72Å; Y331-Y338 HydrophobicContact CE1-CG 3.72Å
332S79.6Confident76.3Confident10 Ų1078.4 Ų78.47%0.0740%0.4CS..Hα-helixtrans-64-18.4175.870.30000114.7G328 R329 F330 D335 P336G328-S332 WeakPolarHBondContact O-CB 3.32Å; G328-S332 PolarHBondContact O-N 3.2Å; R329-S332 PolarHBondContact O-N 3.4Å; R329-S332 PolarHBondContact O-OG 2.97Å; F330-S332 VanDerWaalsContact C-N 3.29Å; F330-S332 PolarHBondContact O-N 3.16Å; S332-D335 CarbonylContact C-O 3.28Å; S332-D335 WeakPolarHBondContact CA-O 3.44Å; S332-D335 CarbonylContact O-C 3.6Å; S332-P336 VanDerWaalsContact O-CA 3.31Å; S332-P336 WeakPolarHBondContact O-CA 3.25Å
333L79.3Confident76.7Confident21 Ų2172.7 Ų72.711%0.1138%0.377CS..Hα-helixtrans-80.5-22.1173.8-62.1175.2000112.3F330 Y331 F399 V402 M403 L406F330-L333 HydrophobicContact CD1-CD1 4.13Å; F330-L333 WeakPolarHBondContact O-CB 3.32Å; F330-L333 PolarHBondContact O-N 3.34Å; F330-L333 VanDerWaalsContact O-N 3.09Å; Y331-L333 PolarHBondContact O-N 2.9Å; Y331-L333 VanDerWaalsContact O-N 3.16Å; L333-F399 HydrophobicContact CB-CD1 4.09Å; L333-F399 HydrophobicContact CB-CE1 3.9Å; L333-V402 HydrophobicContact CD2-CG1 4.4Å; L333-M403 HydrophobicContact CD2-CB 4.06Å; L333-M403 HydrophobicContact CD2-SD 3.91Å; L333-L406 HydrophobicContact CD1-CD1 4.06Å; L333-L406 HydrophobicContact CD2-CD1 3.75Å
334L82.3Confident77.3Confident84 Ų8471.1 Ų71.144%0.4437%0.371SS..Hα-helixtrans-91.4-42175.1-61.8175.2000111W326 Y331W326-L334 HydrophobicContact CD2-CD1 4.48Å; W326-L334 HydrophobicContact CE3-CD1 4.32Å; W326-L334 HydrophobicContact CH2-CD1 4.36Å; W326-L334 HydrophobicContact CZ3-CD1 4.26Å; Y331-L334 PolarHBondContact O-N 3.03Å
335D82.4Confident77.8Confident55 Ų5568.8 Ų68.829%0.29435%0.354SS..  trans-116.596.4170.8-179.47.9000110.7Y331 S332 S337 Y338Y331-D335 HydrophobicContact CE1-CB 4.07Å; Y331-D335 PolarHBondContact O-N 3.11Å; S332-D335 CarbonylContact C-O 3.28Å; S332-D335 WeakPolarHBondContact CA-O 3.44Å; S332-D335 CarbonylContact O-C 3.6Å; D335-S337 PolarHBondContact O-N 2.9Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-N 3.41Å; D335-Y338 PolarHBondContact O-N 2.88Å
336P78.4Confident77.9Confident71 Ų7165 Ų6546%0.46133%0.327SS..Hα-helixtrans-65.5-11.8-178.627.4-34.6000113.8S332 V402S332-P336 VanDerWaalsContact O-CA 3.31Å; S332-P336 WeakPolarHBondContact O-CA 3.25Å; P336-V402 HydrophobicContact CB-CG1 4.13Å
337S80.6Confident78.1Confident63 Ų6360.5 Ų60.544%0.44132%0.315SS..Hα-helixtrans-85-25.8-179.6-50.50000112.5D335 K340 N341D335-S337 PolarHBondContact O-N 2.9Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-N 3.41Å; S337-K340 PolarHBondContact O-N 2.89Å; S337-N341 VanDerWaalsContact O-CG 3.3Å; S337-N341 PolarHBondContact O-N 3.33Å; S337-N341 PolarHBondContact O-ND2 3.37Å
338Y81.9Confident78.2Confident79 Ų7958.5 Ų58.531%0.3130%0.303SS..Hα-helixtrans-63.2-47.9-171.2-176.8-92.2000113Y331 D335 K340 N341 N342 I343Y331-Y338 AromaticContact CD1-CD1 3.87Å; Y331-Y338 HydrophobicContact CD1-CD1 3.87Å; Y331-Y338 AromaticContact CD1-CD2 3.96Å; Y331-Y338 HydrophobicContact CD1-CD2 3.96Å; Y331-Y338 HydrophobicContact CD1-CE1 4.38Å; Y331-Y338 HydrophobicContact CD1-CE2 4.46Å; Y331-Y338 AromaticContact CD1-CG 3.64Å; Y331-Y338 HydrophobicContact CD1-CG 3.64Å; Y331-Y338 HydrophobicContact CE1-CD1 4.39Å; Y331-Y338 AromaticContact CE1-CD2 3.63Å; Y331-Y338 HydrophobicContact CE1-CD2 3.63Å; Y331-Y338 HydrophobicContact CE1-CE2 4.24Å; Y331-Y338 AromaticContact CE1-CG 3.72Å; Y331-Y338 HydrophobicContact CE1-CG 3.72Å; D335-Y338 PolarHBondContact O-N 2.88Å; Y338-K340 PolarHBondContact O-N 3.43Å; Y338-N341 PolarHBondContact O-N 3.03Å; Y338-N342 WeakPolarHBondContact CD2-ND2 3.37Å; Y338-N342 HydrophobicContact CE1-CB 4.35Å; Y338-N342 HydrophobicContact CE2-CB 4.34Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.39Å; Y338-N342 WeakPolarHBondContact O-CB 3.46Å; Y338-N342 PolarHBondContact O-N 3.22Å; Y338-I343 HydrophobicContact CE1-CD1 3.89Å; Y338-I343 HydrophobicContact CE1-CG1 4.33Å
339A75.3Confident78.6Confident10 Ų1059.1 Ų59.18%0.08330%0.302CS..Hα-helixtrans-61.6-45.9-178.800000111.6N341 I343 I346A339-N341 VanDerWaalsContact C-N 3.28Å; A339-N341 PolarHBondContact O-N 2.88Å; A339-I343 CarbonylContact O-C 3.48Å; A339-I343 VanDerWaalsContact O-C 3.28Å; A339-I343 PolarHBondContact O-N 3.26Å; A339-I346 HydrophobicContact CB-CB 4.17Å; A339-I346 HydrophobicContact CB-CG2 3.81Å
340K74.3Confident78.8Confident165 Ų16557.4 Ų57.472%0.71731%0.309SS*.Hα-helixtrans-60.5-37.4-179.8-174.3178.2177.2-177.80112.6S337 Y338S337-K340 PolarHBondContact O-N 2.89Å; Y338-K340 PolarHBondContact O-N 3.43Å
341N78.7Confident78.8Confident116 Ų11655.9 Ų55.962%0.6230%0.303SS*.Hα-helixtrans-88.7-33.1-173.8-65-18000113.2S337 Y338 A339S337-N341 VanDerWaalsContact O-CG 3.3Å; S337-N341 PolarHBondContact O-N 3.33Å; S337-N341 PolarHBondContact O-ND2 3.37Å; Y338-N341 PolarHBondContact O-N 3.03Å; A339-N341 VanDerWaalsContact C-N 3.28Å; A339-N341 PolarHBondContact O-N 2.88Å
342N77.8Confident78.7Confident94 Ų9453.6 Ų53.650%0.50330%0.295SS..Hα-helixtrans-115.8-26.7-167.6-61.2-35000114.5Y338Y338-N342 WeakPolarHBondContact CD2-ND2 3.37Å; Y338-N342 HydrophobicContact CE1-CB 4.35Å; Y338-N342 HydrophobicContact CE2-CB 4.34Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.39Å; Y338-N342 WeakPolarHBondContact O-CB 3.46Å; Y338-N342 PolarHBondContact O-N 3.22Å
343I77.1Confident78.9Confident41 Ų4158.6 Ų58.621%0.2132%0.318CS..  trans-132.886.5-173.5-53.7-179.7000109.7Y338 A339 I345 I346 A347Y338-I343 HydrophobicContact CE1-CD1 3.89Å; Y338-I343 HydrophobicContact CE1-CG1 4.33Å; A339-I343 CarbonylContact O-C 3.48Å; A339-I343 VanDerWaalsContact O-C 3.28Å; A339-I343 PolarHBondContact O-N 3.26Å; I343-I345 HydrophobicContact CG2-CG2 3.62Å; I343-I345 PolarHBondContact O-N 3.38Å; I343-I345 VanDerWaalsContact O-N 3.14Å; I343-I346 HydrophobicContact CB-CD1 4.13Å; I343-I346 HydrophobicContact CB-CG1 4.39Å; I343-I346 HydrophobicContact CD1-CD1 4.04Å; I343-I346 HydrophobicContact CG2-CB 4.23Å; I343-I346 HydrophobicContact CG2-CD1 3.7Å; I343-I346 HydrophobicContact CG2-CG1 3.68Å; I343-I346 PolarHBondContact O-N 3.21Å; I343-I346 VanDerWaalsContact O-N 3.14Å; I343-A347 PolarHBondContact O-N 2.98Å
344P79.1Confident79.3Confident32 Ų3261.9 Ų61.921%0.20834%0.34CS..Hα-helixtrans-61.8-28.1-172.823.3-33000113.2I346 A347 S348 W598 R601 I602P344-I346 PolarHBondContact O-N 2.74Å; P344-A347 PolarHBondContact O-N 2.75Å; P344-S348 WeakPolarHBondContact O-CB 3.27Å; P344-S348 PolarHBondContact O-N 2.87Å; P344-S348 PolarHBondContact O-OG 2.94Å; P344-W598 HydrophobicContact CB-CZ3 4.35Å; P344-W598 WeakPolarHBondContact O-CZ3 3.41Å; P344-R601 HydrophobicContact CB-CB 4.4Å; P344-I602 HydrophobicContact CB-CG1 4.4Å; P344-I602 HydrophobicContact CG-CG1 4.31Å
345I80.4Confident79.6Confident13 Ų1358.9 Ų58.97%0.06733%0.325CS..Hα-helixtrans-68.2-32.2179.3-164.9165.2000113.4I343 S348 T546 I552 I602I343-I345 HydrophobicContact CG2-CG2 3.62Å; I343-I345 PolarHBondContact O-N 3.38Å; I343-I345 VanDerWaalsContact O-N 3.14Å; I345-S348 WeakPolarHBondContact CA-OG 3.36Å; I345-S348 PolarHBondContact O-OG 3.42Å; I345-T546 HydrophobicContact CD1-CG2 3.79Å; I345-T546 HydrophobicContact CG1-CG2 4.36Å; I345-I552 HydrophobicContact CD1-CD1 3.74Å; I345-I552 HydrophobicContact CD1-CG2 4.47Å; I345-I602 HydrophobicContact CB-CD1 4.21Å; I345-I602 HydrophobicContact CG1-CD1 4.27Å
346I78.3Confident80.1Confident29 Ų2959.8 Ų59.815%0.14933%0.333CS..Hα-helixtrans-73.9-40.9174.6-63.6174000109A339 I343 P344 S348 H352A339-I346 HydrophobicContact CB-CB 4.17Å; A339-I346 HydrophobicContact CB-CG2 3.81Å; I343-I346 HydrophobicContact CB-CD1 4.13Å; I343-I346 HydrophobicContact CB-CG1 4.39Å; I343-I346 HydrophobicContact CD1-CD1 4.04Å; I343-I346 HydrophobicContact CG2-CB 4.23Å; I343-I346 HydrophobicContact CG2-CD1 3.7Å; I343-I346 HydrophobicContact CG2-CG1 3.68Å; I343-I346 PolarHBondContact O-N 3.21Å; I343-I346 VanDerWaalsContact O-N 3.14Å; P344-I346 PolarHBondContact O-N 2.74Å; I346-S348 VanDerWaalsContact C-N 3.29Å; I346-S348 PolarHBondContact O-N 2.69Å; I346-H352 PolarHBondContact O-CD2 3.08Å
347A79.2Confident80.8Confident22 Ų2266.2 Ų66.218%0.18235%0.348CS..Hα-helixtrans-72.1-20-179.700000114I343 P344 V349 W598I343-A347 PolarHBondContact O-N 2.98Å; P344-A347 PolarHBondContact O-N 2.75Å; A347-V349 VanDerWaalsContact C-N 3.33Å; A347-W598 HydrophobicContact CB-CH2 4.31Å
348S77Confident81.5Confident22 Ų2266.1 Ų66.115%0.15435%0.347CS..THydrogen-bonded Turntrans-73.3-22-178.956.70000114P344 I345 I346 S350 W598P344-S348 WeakPolarHBondContact O-CB 3.27Å; P344-S348 PolarHBondContact O-N 2.87Å; P344-S348 PolarHBondContact O-OG 2.94Å; I345-S348 WeakPolarHBondContact CA-OG 3.36Å; I345-S348 PolarHBondContact O-OG 3.42Å; I346-S348 VanDerWaalsContact C-N 3.29Å; I346-S348 PolarHBondContact O-N 2.69Å; S348-S350 PolarHBondContact O-N 3.22Å; S348-W598 VanDerWaalsContact CB-CD2 3.49Å
349V78.7Confident82Confident39 Ų3964.4 Ų64.424%0.23635%0.347CS..SBendtrans-76.5124178.5-166.30000109.2A347 E351 H352 W526A347-V349 VanDerWaalsContact C-N 3.33Å; V349-E351 HydrophobicContact CG1-CB 4.06Å; V349-E351 HydrophobicContact CG1-CG 4.18Å; V349-E351 PolarHBondContact O-N 3.45Å; V349-E351 VanDerWaalsContact O-N 3.1Å; V349-H352 PolarHBondContact O-N 3.14Å; V349-W526 HydrophobicContact CG2-CH2 4.2Å
350S75.5Confident82.8Confident89 Ų8966 Ų6662%0.62235%0.351SS*.G310 helixtrans-56-31.2-179.957.40000113S348 H352 Q353S348-S350 PolarHBondContact O-N 3.22Å; S350-H352 VanDerWaalsContact C-N 3.26Å; S350-H352 PolarHBondContact O-N 3.37Å; S350-Q353 WeakPolarHBondContact O-CB 3.49Å; S350-Q353 WeakPolarHBondContact O-CG 3.42Å; S350-Q353 PolarHBondContact O-N 3.46Å
351E76.4Confident83.8Confident28 Ų2862.9 Ų62.913%0.13134%0.336CS..G310 helixtrans-68.6-19.7-180-57.4-177.9176.300114.7R160 V349 Q353 M403 R405R160-E351 IonicContact CZ-OE1 3Å; R160-E351 VanDerWaalsContact CZ-OE1 3.22Å; R160-E351 IonicContact NH1-OE1 3.45Å; R160-E351 PolarHBondContact NH1-OE1 3.05Å; R160-E351 IonicContact NH2-OE1 3.55Å; R160-E351 PolarHBondContact NH2-OE1 3.22Å; R160-E351 IonicContact NH2-OE2 3.74Å; V349-E351 HydrophobicContact CG1-CB 4.06Å; V349-E351 HydrophobicContact CG1-CG 4.18Å; V349-E351 PolarHBondContact O-N 3.45Å; V349-E351 VanDerWaalsContact O-N 3.1Å; E351-Q353 VanDerWaalsContact C-N 3.27Å; E351-M403 VanDerWaalsContact O-CG 3.32Å; E351-M403 WeakPolarHBondContact O-CG 3.32Å; E351-R405 HydrophobicContact CB-CB 4.3Å; E351-R405 PolarHBondContact O-N 3.17Å; E351-R405 VanDerWaalsContact OE2-CD 3.26Å; E351-R405 WeakPolarHBondContact OE2-CD 3.27Å; E351-R405 IonicContact OE2-CZ 3.37Å; E351-R405 IonicContact OE2-NE 2.87Å; E351-R405 IonicContact OE2-NH1 2.65Å; E351-R405 PolarHBondContact OE2-NH1 2.92Å
352H81.2Confident84.6Confident42 Ų4260.3 Ų60.319%0.19432%0.319CS..G310 helixtrans-82.9-3.3178.5-78.2-59.3000113.1I346 V349 S350 M403I346-H352 PolarHBondContact O-CD2 3.08Å; V349-H352 PolarHBondContact O-N 3.14Å; S350-H352 VanDerWaalsContact C-N 3.26Å; S350-H352 PolarHBondContact O-N 3.37Å; H352-M403 WeakPolarHBondContact CE1-CE 3.27Å; H352-M403 WeakPolarHBondContact ND1-CE 3.46Å; H352-M403 PolarHBondContact ND1-SD 3Å; H352-M403 VanDerWaalsContact ND1-SD 3.37Å
353Q82.6Confident85.3Confident115 Ų11556.6 Ų56.654%0.53730%0.299SS..SBendtrans-73.8155178.6-63.9-167.6-5.200112.3S350 E351 V404S350-Q353 WeakPolarHBondContact O-CB 3.49Å; S350-Q353 WeakPolarHBondContact O-CG 3.42Å; S350-Q353 PolarHBondContact O-N 3.46Å; E351-Q353 VanDerWaalsContact C-N 3.27Å; Q353-V404 VanDerWaalsContact O-CG2 3.24Å; Q353-V404 WeakPolarHBondContact O-CG2 3.1Å; Q353-V404 PolarHBondContact O-N 3.22Å
354P87.3Confident86.1Confident90 Ų9054.6 Ų54.658%0.58429%0.289SS*.PPolyproline II helixtrans-65.1148.1172.2-21.133.4000112.8V402P354-V402 WeakPolarHBondContact CA-O 3.46Å
355T89.4Confident86.8Confident21 Ų2153.7 Ų53.713%0.12928%0.282CS..PPolyproline II helixtrans-81.2134.5177.252.30000112.2Y360 S400 A401 V404T355-Y360 WeakPolarHBondContact OG1-CE2 3.5Å; T355-Y360 PolarHBondContact OG1-OH 3.24Å; T355-S400 WeakPolarHBondContact CG2-O 3.4Å; T355-S400 PolarHBondContact OG1-O 3.45Å; T355-A401 PolarHBondContact N-O 3.44Å; T355-A401 WeakPolarHBondContact OG1-CA 3.35Å; T355-A401 PolarHBondContact OG1-O 3.01Å; T355-V404 VanDerWaalsContact CG2-CA 3.45Å; T355-V404 HydrophobicContact CG2-CB 4.01Å; T355-V404 HydrophobicContact CG2-CG2 3.54Å
356T92.6Very high87.5Confident74 Ų7453.2 Ų53.245%0.45428%0.279SS..PPolyproline II helixtrans-82.6159.1167.159.60000111.8S358 S359 Y360T356-S358 PolarHBondContact O-N 3.44Å; T356-S358 PolarHBondContact OG1-OG 2.83Å; T356-S359 WeakPolarHBondContact O-CB 3.47Å; T356-S359 PolarHBondContact O-N 2.83Å; T356-S359 VanDerWaalsContact O-N 3.13Å; T356-S359 PolarHBondContact OG1-OG 3.31Å; T356-S359 VanDerWaalsContact OG1-OG 3.09Å; T356-Y360 WeakPolarHBondContact O-CD2 2.84Å; T356-Y360 PolarHBondContact O-N 3.46Å
357W93.9Very high88.3Confident207 Ų20751.8 Ų51.878%0.78427%0.272SS*.Hα-helixtrans-60.5-30.4175.674-93.9000113S359 Y360 Y361W357-S359 VanDerWaalsContact C-N 3.3Å; W357-S359 PolarHBondContact O-N 3.45Å; W357-Y360 WeakPolarHBondContact O-CB 3.45Å; W357-Y360 PolarHBondContact O-N 3Å; W357-Y361 PolarHBondContact O-N 2.9Å
358S94.3Very high89Confident60 Ų6052.6 Ų52.642%0.4228%0.275SS..Hα-helixtrans-63-39.317754.10000111.3T356 Y361 F362T356-S358 PolarHBondContact O-N 3.44Å; T356-S358 PolarHBondContact OG1-OG 2.83Å; S358-Y361 PolarHBondContact O-N 3.11Å; S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.46Å; S358-F362 PolarHBondContact O-N 2.92Å
359S92.3Very high89.9Confident43 Ų4357.4 Ų57.430%0.30129%0.293SS..Hα-helixtrans-66.3-41.2175.8-52.80000111.3T356 W357 Y361 F362 D363T356-S359 WeakPolarHBondContact O-CB 3.47Å; T356-S359 PolarHBondContact O-N 2.83Å; T356-S359 VanDerWaalsContact O-N 3.13Å; T356-S359 PolarHBondContact OG1-OG 3.31Å; T356-S359 VanDerWaalsContact OG1-OG 3.09Å; W357-S359 VanDerWaalsContact C-N 3.3Å; W357-S359 PolarHBondContact O-N 3.45Å; S359-Y361 VanDerWaalsContact C-N 3.35Å; S359-Y361 PolarHBondContact O-N 2.88Å; S359-F362 PolarHBondContact O-N 3.49Å; S359-D363 WeakPolarHBondContact O-CB 3.4Å; S359-D363 PolarHBondContact O-N 3.05Å
360Y93.8Very high90.6Very high44 Ų4456.8 Ų56.817%0.17329%0.288CS..Hα-helixtrans-57.6-46.4173.4-83.5-75.4000112.9T355 T356 W357 L364 S400 A401 M407 L410T355-Y360 WeakPolarHBondContact OG1-CE2 3.5Å; T355-Y360 PolarHBondContact OG1-OH 3.24Å; T356-Y360 WeakPolarHBondContact O-CD2 2.84Å; T356-Y360 PolarHBondContact O-N 3.46Å; W357-Y360 WeakPolarHBondContact O-CB 3.45Å; W357-Y360 PolarHBondContact O-N 3Å; Y360-L364 HydrophobicContact CD1-CD1 4.4Å; Y360-L364 WeakPolarHBondContact O-CB 3.37Å; Y360-L364 PolarHBondContact O-N 3.26Å; Y360-S400 WeakPolarHBondContact OH-CB 3.15Å; Y360-S400 PolarHBondContact OH-O 3.35Å; Y360-S400 PolarHBondContact OH-OG 3.07Å; Y360-A401 WeakPolarHBondContact OH-CA 2.95Å; Y360-A401 PolarHBondContact OH-N 3.22Å; Y360-M407 HydrophobicContact CD1-CE 3.63Å; Y360-M407 HydrophobicContact CD1-SD 3.9Å; Y360-M407 HydrophobicContact CE1-CE 4.1Å; Y360-M407 HydrophobicContact CE1-SD 3.71Å; Y360-M407 HydrophobicContact CG-CE 4.33Å; Y360-L410 HydrophobicContact CD1-CD2 4.34Å; Y360-L410 HydrophobicContact CE1-CD2 3.68Å
361Y95.4Very high91.5Very high99 Ų9953.1 Ų53.139%0.38826%0.261SS..Hα-helixtrans-68.7-40.3179.3-175.5-93.9000111.8W357 S358 S359 D363 Q365 F369W357-Y361 PolarHBondContact O-N 2.9Å; S358-Y361 PolarHBondContact O-N 3.11Å; S359-Y361 VanDerWaalsContact C-N 3.35Å; S359-Y361 PolarHBondContact O-N 2.88Å; Y361-D363 VanDerWaalsContact C-N 3.32Å; Y361-D363 PolarHBondContact O-N 3.44Å; Y361-Q365 HydrophobicContact CE1-CG 4.45Å; Y361-Q365 HydrophobicContact CE2-CG 4.41Å; Y361-Q365 VanDerWaalsContact O-CA 3.31Å; Y361-Q365 WeakPolarHBondContact O-CA 3.48Å; Y361-Q365 PolarHBondContact O-N 3.09Å; Y361-F369 HydrophobicContact CD2-CE2 4.4Å; Y361-F369 HydrophobicContact CD2-CZ 4.41Å; Y361-F369 AromaticContact CE2-CE2 3.85Å; Y361-F369 HydrophobicContact CE2-CE2 3.85Å; Y361-F369 HydrophobicContact CE2-CZ 4.05Å
362F94.5Very high92.4Very high62 Ų6255.5 Ų55.527%0.27228%0.279SS..Hα-helixtrans-59.6-42.8178.4-169.5-102.7000112S358 S359 H474 W477 V478 A482 Y483S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.46Å; S358-F362 PolarHBondContact O-N 2.92Å; S359-F362 PolarHBondContact O-N 3.49Å; F362-H474 PolarHBondContact O-NE2 3.37Å; F362-W477 HydrophobicContact CE2-CH2 4.31Å; F362-W477 AromaticContact CE2-CZ3 3.81Å; F362-W477 HydrophobicContact CE2-CZ3 3.81Å; F362-W477 HydrophobicContact CZ-CZ3 4.49Å; F362-V478 HydrophobicContact CD1-CG1 4.07Å; F362-V478 HydrophobicContact CD2-CG2 4.28Å; F362-V478 HydrophobicContact CE1-CB 4.46Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.27Å; F362-V478 HydrophobicContact CE2-CG1 4.45Å; F362-V478 HydrophobicContact CE2-CG2 3.88Å; F362-V478 HydrophobicContact CZ-CB 4.27Å; F362-V478 HydrophobicContact CZ-CG1 3.64Å; F362-V478 HydrophobicContact CZ-CG2 3.87Å; F362-A482 HydrophobicContact CE1-CB 4.03Å; F362-A482 HydrophobicContact CZ-CB 3.71Å; F362-Y483 HydrophobicContact CE1-CE2 4.28Å
363D93.5Very high93.1Very high16 Ų1655.8 Ų55.89%0.08628%0.283CS..Hα-helixtrans-83-26.8-174.5-70.56.2000114.2P155 G156 S359 Y361 M407 Y483P155-D363 VanDerWaalsContact CD-O 3.29Å; P155-D363 WeakPolarHBondContact CD-O 3.2Å; G156-D363 PolarHBondContact N-O 3.03Å; S359-D363 WeakPolarHBondContact O-CB 3.4Å; S359-D363 PolarHBondContact O-N 3.05Å; Y361-D363 VanDerWaalsContact C-N 3.32Å; Y361-D363 PolarHBondContact O-N 3.44Å; D363-M407 HydrophobicContact CB-CE 3.49Å; D363-M407 VanDerWaalsContact CB-CE 3.49Å; D363-M407 WeakPolarHBondContact OD2-CG 3.2Å; D363-Y483 PolarHBondContact OD1-OH 3.34Å
364L93Very high93.6Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-127.9-15.3-166.8-65.7169.8000114.6V154 Y360 L366 L367 V368 M407 L410 A411 M414V154-L364 HydrophobicContact CG2-CD2 3.82Å; Y360-L364 HydrophobicContact CD1-CD1 4.4Å; Y360-L364 WeakPolarHBondContact O-CB 3.37Å; Y360-L364 PolarHBondContact O-N 3.26Å; L364-L366 PolarHBondContact O-N 2.62Å; L364-L367 HydrophobicContact CB-CB 4.15Å; L364-L367 HydrophobicContact CD2-CB 4.45Å; L364-L367 HydrophobicContact CD2-CD2 3.98Å; L364-L367 WeakPolarHBondContact O-CB 3.46Å; L364-L367 PolarHBondContact O-N 3.31Å; L364-V368 HydrophobicContact CB-CG1 3.56Å; L364-V368 HydrophobicContact CD1-CG1 4.18Å; L364-M407 HydrophobicContact CD1-CE 3.27Å; L364-M407 HydrophobicContact CD1-SD 4.2Å; L364-M407 HydrophobicContact CG-CE 3.63Å; L364-L410 HydrophobicContact CD1-CD2 4.23Å; L364-A411 HydrophobicContact CD2-CB 4.37Å; L364-M414 HydrophobicContact CD1-CE 4.03Å; L364-M414 HydrophobicContact CD1-CG 4.02Å; L364-M414 HydrophobicContact CD2-CB 4.19Å; L364-M414 HydrophobicContact CD2-CG 4.34Å
365Q94.6Very high93.9Very high12 Ų1247.2 Ų47.26%0.05624%0.236CC..THydrogen-bonded Turntrans35.2-94.5177.6-164.1-85.9-31.400115.2Y361 V368 F369 Y471 H474Y361-Q365 HydrophobicContact CE1-CG 4.45Å; Y361-Q365 HydrophobicContact CE2-CG 4.41Å; Y361-Q365 VanDerWaalsContact O-CA 3.31Å; Y361-Q365 WeakPolarHBondContact O-CA 3.48Å; Y361-Q365 PolarHBondContact O-N 3.09Å; Q365-V368 VanDerWaalsContact O-CG2 3.31Å; Q365-V368 WeakPolarHBondContact O-CG2 3.41Å; Q365-F369 WeakPolarHBondContact O-CD2 3.37Å; Q365-Y471 HydrophobicContact CB-CD2 4.33Å; Q365-H474 HydrophobicContact CG-CB 4.29Å
366L93.8Very high94.2Very high3 Ų353.1 Ų53.12%0.01626%0.257CS..Hα-helixtrans-69.8-32.3-178.9178.762.4000112.8L364 V368 F369 M370 F467 L468 Y471L364-L366 PolarHBondContact O-N 2.62Å; L366-V368 VanDerWaalsContact C-N 3.27Å; L366-V368 PolarHBondContact O-N 2.93Å; L366-F369 PolarHBondContact O-N 3.15Å; L366-M370 HydrophobicContact CD1-CE 3.99Å; L366-M370 HydrophobicContact CD1-CG 4.14Å; L366-M370 HydrophobicContact CG-CG 4.16Å; L366-M370 PolarHBondContact O-N 3.2Å; L366-F467 HydrophobicContact CD1-CB 3.96Å; L366-F467 HydrophobicContact CD1-CD1 3.99Å; L366-F467 HydrophobicContact CD1-CG 4.12Å; L366-F467 HydrophobicContact CD2-CB 4.09Å; L366-L468 HydrophobicContact CD2-CD2 4.42Å; L366-Y471 HydrophobicContact CB-CD2 4.05Å; L366-Y471 HydrophobicContact CB-CG 4.24Å
367L94.8Very high94.3Very high0 Ų052.3 Ų52.30%025%0.246CC..Hα-helixtrans-64.2-34.1-172-78.461.7000111.1V154 L364 F369 M370 F371 M414 C415 S418 Y471V154-L367 HydrophobicContact CG2-CD2 4.11Å; L364-L367 HydrophobicContact CB-CB 4.15Å; L364-L367 HydrophobicContact CD2-CB 4.45Å; L364-L367 HydrophobicContact CD2-CD2 3.98Å; L364-L367 WeakPolarHBondContact O-CB 3.46Å; L364-L367 PolarHBondContact O-N 3.31Å; L367-F369 VanDerWaalsContact C-N 3.26Å; L367-F369 PolarHBondContact O-N 3.07Å; L367-M370 PolarHBondContact O-N 3.36Å; L367-F371 WeakPolarHBondContact O-CB 3.3Å; L367-F371 PolarHBondContact O-N 2.96Å; L367-M414 HydrophobicContact CB-CB 4.27Å; L367-M414 HydrophobicContact CB-CE 4.39Å; L367-M414 HydrophobicContact CD2-CB 4.02Å; L367-M414 WeakPolarHBondContact O-CE 3.15Å; L367-C415 HydrophobicContact CD2-CB 4.44Å; L367-C415 VanDerWaalsContact CD2-SG 3.52Å; L367-S418 WeakPolarHBondContact CA-OG 3.32Å; L367-S418 PolarHBondContact O-OG 3.25Å; L367-Y471 HydrophobicContact CD1-CD2 3.98Å; L367-Y471 HydrophobicContact CD1-CE1 4.14Å; L367-Y471 HydrophobicContact CD1-CE2 3.35Å; L367-Y471 VanDerWaalsContact CD1-CZ 3.44Å
368V95Very high94.2Very high39 Ų3942.5 Ų42.524%0.23621%0.209CC..Hα-helixtrans-61.4-34.6179-49.70000112.3L364 Q365 L366 P372 M414L364-V368 HydrophobicContact CB-CG1 3.56Å; L364-V368 HydrophobicContact CD1-CG1 4.18Å; Q365-V368 VanDerWaalsContact O-CG2 3.31Å; Q365-V368 WeakPolarHBondContact O-CG2 3.41Å; L366-V368 VanDerWaalsContact C-N 3.27Å; L366-V368 PolarHBondContact O-N 2.93Å; V368-P372 WeakPolarHBondContact O-CD 3.37Å; V368-M414 HydrophobicContact CG1-CE 4.37Å
369F94.6Very high94.2Very high123 Ų12345 Ų4554%0.53921%0.213SC..Hα-helixtrans-80.2-32.7177.9-57.7-67.3000112.6Y361 Q365 L366 L367Y361-F369 HydrophobicContact CD2-CE2 4.4Å; Y361-F369 HydrophobicContact CD2-CZ 4.41Å; Y361-F369 AromaticContact CE2-CE2 3.85Å; Y361-F369 HydrophobicContact CE2-CE2 3.85Å; Y361-F369 HydrophobicContact CE2-CZ 4.05Å; Q365-F369 WeakPolarHBondContact O-CD2 3.37Å; L366-F369 PolarHBondContact O-N 3.15Å; L367-F369 VanDerWaalsContact C-N 3.26Å; L367-F369 PolarHBondContact O-N 3.07Å
370M94.4Very high94.2Very high25 Ų2547.6 Ų47.612%0.12322%0.223CC..Hα-helixtrans-84.2-17.5-178.3-67.8-63.4169.300113.3L366 L367 V373 G374 V422 M464L366-M370 HydrophobicContact CD1-CE 3.99Å; L366-M370 HydrophobicContact CD1-CG 4.14Å; L366-M370 HydrophobicContact CG-CG 4.16Å; L366-M370 PolarHBondContact O-N 3.2Å; L367-M370 PolarHBondContact O-N 3.36Å; M370-V373 WeakPolarHBondContact O-CB 3.25Å; M370-V373 PolarHBondContact O-N 3.13Å; M370-G374 PolarHBondContact O-N 3.3Å; M370-V422 HydrophobicContact CB-CG2 4.37Å; M370-V422 HydrophobicContact CE-CG2 4.22Å; M370-V422 HydrophobicContact CG-CG2 3.73Å; M370-V422 HydrophobicContact SD-CG2 3.72Å; M370-M464 HydrophobicContact CE-CE 3.71Å; M370-M464 HydrophobicContact CE-SD 3.96Å
371F94.9Very high94Very high13 Ų1349.9 Ų49.96%0.05724%0.239CC..Hα-helixtrans-61.2-50.3179.9175.6-101.2000113L367 V373 G374 L375 M397 V413 M414 L417 S418L367-F371 WeakPolarHBondContact O-CB 3.3Å; L367-F371 PolarHBondContact O-N 2.96Å; F371-V373 VanDerWaalsContact C-N 3.25Å; F371-V373 PolarHBondContact O-N 3.48Å; F371-G374 WeakPolarHBondContact O-CA 3.26Å; F371-G374 PolarHBondContact O-N 2.85Å; F371-G374 VanDerWaalsContact O-N 3.08Å; F371-L375 HydrophobicContact CD1-CD1 3.63Å; F371-L375 HydrophobicContact CD2-CD1 3.67Å; F371-L375 HydrophobicContact CE1-CD1 3.47Å; F371-L375 VanDerWaalsContact CE1-CD1 3.47Å; F371-L375 HydrophobicContact CE1-CD2 4.24Å; F371-L375 HydrophobicContact CE2-CD1 3.58Å; F371-L375 HydrophobicContact CG-CD1 3.74Å; F371-L375 HydrophobicContact CZ-CD1 3.47Å; F371-L375 VanDerWaalsContact CZ-CD1 3.47Å; F371-L375 HydrophobicContact CZ-CD2 4.46Å; F371-L375 WeakPolarHBondContact O-CD1 3.32Å; F371-L375 PolarHBondContact O-N 2.98Å; F371-M397 HydrophobicContact CE1-SD 3.84Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; F371-V413 HydrophobicContact CE2-CG1 4.35Å; F371-M414 HydrophobicContact CB-CE 3.39Å; F371-M414 HydrophobicContact CB-SD 3.76Å; F371-M414 HydrophobicContact CD1-CE 4.38Å; F371-M414 HydrophobicContact CD1-SD 4.03Å; F371-M414 HydrophobicContact CD2-CE 3.98Å; F371-M414 HydrophobicContact CD2-CG 4.36Å; F371-M414 HydrophobicContact CD2-SD 3.08Å; F371-M414 WeakPolarHBondContact CD2-SD 3.43Å; F371-M414 HydrophobicContact CE1-SD 4.35Å; F371-M414 HydrophobicContact CE2-SD 3.41Å; F371-M414 WeakPolarHBondContact CE2-SD 3.29Å; F371-M414 HydrophobicContact CG-CE 3.71Å; F371-M414 HydrophobicContact CG-SD 3.38Å; F371-M414 WeakPolarHBondContact CG-SD 3.26Å; F371-M414 HydrophobicContact CZ-SD 4.05Å; F371-L417 HydrophobicContact CD2-CB 4.07Å; F371-L417 HydrophobicContact CD2-CD1 3.88Å; F371-L417 HydrophobicContact CE2-CD1 3.56Å; F371-L417 HydrophobicContact CZ-CD1 4.4Å; F371-S418 PolarHBondContact N-OG 3.1Å
372P95.6Very high93.9Very high77 Ų7748.9 Ų48.950%0.524%0.239SC..Hα-helixtrans-57.8-36.2174.9-25.334.6000113.5V368 L375 Y376V368-P372 WeakPolarHBondContact O-CD 3.37Å; P372-L375 PolarHBondContact O-N 3.42Å; P372-Y376 WeakPolarHBondContact O-CB 3.3Å; P372-Y376 PolarHBondContact O-N 3.05Å
373V94.7Very high93.8Very high48 Ų4848.2 Ų48.229%0.29124%0.242SC..Hα-helixtrans-65.2-42.8176.7-177.20000110.7M370 F371 Y376 Y377M370-V373 WeakPolarHBondContact O-CB 3.25Å; M370-V373 PolarHBondContact O-N 3.13Å; F371-V373 VanDerWaalsContact C-N 3.25Å; F371-V373 PolarHBondContact O-N 3.48Å; V373-Y376 PolarHBondContact O-N 2.85Å; V373-Y377 HydrophobicContact CG1-CD2 4.01Å; V373-Y377 HydrophobicContact CG1-CE2 3.66Å; V373-Y377 WeakPolarHBondContact O-CD2 3.4Å; V373-Y377 PolarHBondContact O-N 3.22Å; V373-Y377 VanDerWaalsContact O-N 3.16Å
374G93.6Very high93.7Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-60.8-45.3173.500000112.9M370 F371 Y377 C378 L417M370-G374 PolarHBondContact O-N 3.3Å; F371-G374 WeakPolarHBondContact O-CA 3.26Å; F371-G374 PolarHBondContact O-N 2.85Å; F371-G374 VanDerWaalsContact O-N 3.08Å; G374-Y377 PolarHBondContact O-N 3.32Å; G374-C378 PolarHBondContact O-N 3.4Å; G374-C378 VanDerWaalsContact O-N 3.1Å; G374-C378 PolarHBondContact O-SG 3.24Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.48Å
375L94.4Very high93.7Very high26 Ų2649 Ų4914%0.13625%0.247CC..Hα-helixtrans-60.2-47.5175.2-89.180.8000111F371 P372 Y377 C378 F379 V394 L417F371-L375 HydrophobicContact CD1-CD1 3.63Å; F371-L375 HydrophobicContact CD2-CD1 3.67Å; F371-L375 HydrophobicContact CE1-CD1 3.47Å; F371-L375 VanDerWaalsContact CE1-CD1 3.47Å; F371-L375 HydrophobicContact CE1-CD2 4.24Å; F371-L375 HydrophobicContact CE2-CD1 3.58Å; F371-L375 HydrophobicContact CG-CD1 3.74Å; F371-L375 HydrophobicContact CZ-CD1 3.47Å; F371-L375 VanDerWaalsContact CZ-CD1 3.47Å; F371-L375 HydrophobicContact CZ-CD2 4.46Å; F371-L375 WeakPolarHBondContact O-CD1 3.32Å; F371-L375 PolarHBondContact O-N 2.98Å; P372-L375 PolarHBondContact O-N 3.42Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.41Å; L375-C378 WeakPolarHBondContact O-CA 3.39Å; L375-C378 WeakPolarHBondContact O-CB 3.39Å; L375-C378 PolarHBondContact O-N 3.13Å; L375-F379 HydrophobicContact CB-CD2 4.47Å; L375-F379 VanDerWaalsContact O-CD2 3.28Å; L375-F379 WeakPolarHBondContact O-CD2 3.46Å; L375-F379 PolarHBondContact O-N 3Å; L375-V394 HydrophobicContact CD2-CG2 4.49Å; L375-L417 HydrophobicContact CD1-CD1 3.47Å; L375-L417 VanDerWaalsContact CD1-CD1 3.47Å; L375-L417 HydrophobicContact CD1-CG 4.48Å; L375-L417 HydrophobicContact CG-CD1 4.27Å
376Y95.6Very high93.7Very high145 Ų14550.9 Ų50.957%0.56925%0.254SS*.Hα-helixtrans-54.2-46.1178.9173.4-98.8000111.9P372 V373 C378 F379 N380P372-Y376 WeakPolarHBondContact O-CB 3.3Å; P372-Y376 PolarHBondContact O-N 3.05Å; V373-Y376 PolarHBondContact O-N 2.85Å; Y376-C378 VanDerWaalsContact C-N 3.33Å; Y376-C378 PolarHBondContact O-N 3.01Å; Y376-F379 PolarHBondContact O-N 3.29Å; Y376-N380 WeakPolarHBondContact O-CB 3.27Å; Y376-N380 PolarHBondContact O-N 3.39Å
377Y92.8Very high93.7Very high56 Ų5651.3 Ų51.322%0.2226%0.256CS..Hα-helixtrans-68.1-31.5177.2-75.3-57.4000113.7V373 G374 L375 N381 Q424V373-Y377 HydrophobicContact CG1-CD2 4.01Å; V373-Y377 HydrophobicContact CG1-CE2 3.66Å; V373-Y377 WeakPolarHBondContact O-CD2 3.4Å; V373-Y377 PolarHBondContact O-N 3.22Å; V373-Y377 VanDerWaalsContact O-N 3.16Å; G374-Y377 PolarHBondContact O-N 3.32Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.41Å; Y377-N381 PolarHBondContact O-N 3.07Å; Y377-Q424 HydrophobicContact CD1-CG 3.84Å; Y377-Q424 HydrophobicContact CD2-CB 3.88Å; Y377-Q424 HydrophobicContact CD2-CG 3.9Å; Y377-Q424 HydrophobicContact CE1-CB 4.45Å; Y377-Q424 HydrophobicContact CE1-CG 3.45Å; Y377-Q424 VanDerWaalsContact CE1-CG 3.45Å; Y377-Q424 HydrophobicContact CE2-CB 3.59Å; Y377-Q424 HydrophobicContact CE2-CG 3.48Å; Y377-Q424 VanDerWaalsContact CE2-CG 3.48Å; Y377-Q424 HydrophobicContact CG-CB 4.4Å; Y377-Q424 HydrophobicContact CG-CG 4.07Å
378C92.7Very high93.8Very high2 Ų251.4 Ų51.41%0.01426%0.256CS..Hα-helixtrans-68.1-39173.7-66.30000111.6G374 L375 Y376 N381 I390 L417G374-C378 PolarHBondContact O-N 3.4Å; G374-C378 VanDerWaalsContact O-N 3.1Å; G374-C378 PolarHBondContact O-SG 3.24Å; L375-C378 WeakPolarHBondContact O-CA 3.39Å; L375-C378 WeakPolarHBondContact O-CB 3.39Å; L375-C378 PolarHBondContact O-N 3.13Å; Y376-C378 VanDerWaalsContact C-N 3.33Å; Y376-C378 PolarHBondContact O-N 3.01Å; C378-N381 CarbonylContact O-C 3.57Å; C378-I390 HydrophobicContact CB-CD1 3.82Å; C378-I390 HydrophobicContact CB-CG1 3.75Å; C378-L417 VanDerWaalsContact SG-CD2 3.51Å
379F94.3Very high93.8Very high113 Ų11349.6 Ų49.650%0.49625%0.245SC..Hα-helixtrans-71.1-37.2175.1-83.4-71.1000113.4L375 Y376 N381 L382 I390L375-F379 HydrophobicContact CB-CD2 4.47Å; L375-F379 VanDerWaalsContact O-CD2 3.28Å; L375-F379 WeakPolarHBondContact O-CD2 3.46Å; L375-F379 PolarHBondContact O-N 3Å; Y376-F379 PolarHBondContact O-N 3.29Å; F379-N381 VanDerWaalsContact C-N 3.28Å; F379-N381 PolarHBondContact O-N 3.25Å; F379-L382 HydrophobicContact CD1-CD2 4.32Å; F379-L382 WeakPolarHBondContact O-CG 3.05Å; F379-I390 HydrophobicContact CD1-CD1 4.04Å; F379-I390 HydrophobicContact CD2-CD1 4.18Å; F379-I390 HydrophobicContact CE1-CD1 4.07Å; F379-I390 HydrophobicContact CE1-CG2 4.15Å; F379-I390 HydrophobicContact CE2-CD1 4.19Å; F379-I390 HydrophobicContact CE2-CG1 4.35Å; F379-I390 HydrophobicContact CE2-CG2 3.78Å; F379-I390 HydrophobicContact CG-CD1 4.1Å; F379-I390 HydrophobicContact CZ-CD1 4.15Å; F379-I390 HydrophobicContact CZ-CG2 3.43Å; F379-I390 VanDerWaalsContact CZ-CG2 3.43Å
380N92.4Very high93.8Very high96 Ų9644.3 Ų44.351%0.51322%0.222SC..Hα-helixtrans-64.9-35.4-179.3-168.517.6000111.8Y376Y376-N380 WeakPolarHBondContact O-CB 3.27Å; Y376-N380 PolarHBondContact O-N 3.39Å
381N90Very high93.9Very high93 Ų9345 Ų4550%0.49723%0.226SC..THydrogen-bonded Turntrans-122.576.6-179.4-68.4-46.8000110.7Y377 C378 F379 S383 R386Y377-N381 PolarHBondContact O-N 3.07Å; C378-N381 CarbonylContact O-C 3.57Å; F379-N381 VanDerWaalsContact C-N 3.28Å; F379-N381 PolarHBondContact O-N 3.25Å; N381-S383 PolarHBondContact O-N 3.24Å; N381-R386 WeakPolarHBondContact O-CD 3.18Å; N381-R386 PolarHBondContact O-NH1 3.33Å
382L92.4Very high93.9Very high78 Ų7844.4 Ų44.441%0.40822%0.223SC..  trans-67.8123.8-176.6-70172.6000113.1R231 F379 I387 I390R231-L382 PolarHBondContact NH1-O 3.12Å; F379-L382 HydrophobicContact CD1-CD2 4.32Å; F379-L382 WeakPolarHBondContact O-CG 3.05Å; L382-I387 HydrophobicContact CD2-CG1 4.34Å; L382-I390 HydrophobicContact CD2-CD1 4.09Å
383S92.6Very high93.9Very high48 Ų4840.8 Ų40.834%0.33620%0.199SC..  trans-132.1156.2172.5176.50000109.1N381 A385 R386 I387N381-S383 PolarHBondContact O-N 3.24Å; S383-A385 PolarHBondContact O-N 3.45Å; S383-A385 VanDerWaalsContact O-N 3.16Å; S383-R386 WeakPolarHBondContact O-CA 3.47Å; S383-R386 PolarHBondContact O-N 3.07Å; S383-I387 PolarHBondContact O-N 2.96Å
384D92.3Very high93.9Very high29 Ų2941.6 Ų41.616%0.15521%0.205CC..Hα-helixtrans-54.8-38.2-176.9-50.2-15.9000112V187 H222 L226 R231V187-D384 HydrophobicContact CG1-CB 4.13Å; H222-D384 PolarHBondContact NE2-O 3.4Å; L226-D384 HydrophobicContact CD2-CB 4.13Å; R231-D384 IonicContact NH1-OD1 3.9Å
385A92.6Very high93.9Very high3 Ų343 Ų433%0.02521%0.213CC..Hα-helixtrans-74.4-27.3175.100000113.8L138 I184 S383 F388 I389L138-A385 HydrophobicContact CD2-CB 4.11Å; I184-A385 HydrophobicContact CG2-CB 3.79Å; S383-A385 PolarHBondContact O-N 3.45Å; S383-A385 VanDerWaalsContact O-N 3.16Å; A385-F388 WeakPolarHBondContact O-CB 3.46Å; A385-F388 PolarHBondContact O-N 3.42Å; A385-I389 PolarHBondContact O-N 3.24Å
386R93.6Very high93.9Very high52 Ų5241.9 Ų41.920%0.19621%0.208CC..Hα-helixtrans-78.9-30.2178-71.7174.7-176.9169.21.9112.1L138 N381 S383 F388 I389 I390L138-R386 PolarHBondContact O-NE 3.15Å; L138-R386 VanDerWaalsContact O-NE 3.16Å; L138-R386 PolarHBondContact O-NH2 3.24Å; N381-R386 WeakPolarHBondContact O-CD 3.18Å; N381-R386 PolarHBondContact O-NH1 3.33Å; S383-R386 WeakPolarHBondContact O-CA 3.47Å; S383-R386 PolarHBondContact O-N 3.07Å; R386-F388 PolarHBondContact O-N 3.39Å; R386-I389 VanDerWaalsContact O-CG2 3.32Å; R386-I389 WeakPolarHBondContact O-CG2 3.46Å; R386-I389 PolarHBondContact O-N 3.16Å; R386-I390 WeakPolarHBondContact O-CD1 3.33Å; R386-I390 VanDerWaalsContact O-CG1 3.24Å; R386-I390 WeakPolarHBondContact O-CG1 3.38Å; R386-I390 PolarHBondContact O-N 2.95Å
387I94.9Very high93.8Very high12 Ų1239.1 Ų39.16%0.06220%0.201CC..Hα-helixtrans-60.5-40.3171-63.7168.7000109.5V225 L226 L382 S383 I390 M391V225-I387 HydrophobicContact CB-CG2 4.39Å; V225-I387 HydrophobicContact CG1-CG2 3.64Å; L226-I387 HydrophobicContact CD2-CD1 3.72Å; L382-I387 HydrophobicContact CD2-CG1 4.34Å; S383-I387 PolarHBondContact O-N 2.96Å; I387-I390 PolarHBondContact O-N 3.32Å; I387-M391 WeakPolarHBondContact O-CG 3.43Å; I387-M391 PolarHBondContact O-N 2.98Å
388F95.6Very high93.8Very high1 Ų142 Ų420%0.00421%0.212CC..Hα-helixtrans-58.6-50.5174.9-178.2-100.6000112.6Y180 W183 I184 L218 H222 A385 R386 I390 M391 Y392Y180-F388 AromaticContact CD1-CE1 3.86Å; Y180-F388 HydrophobicContact CD1-CE1 3.86Å; Y180-F388 HydrophobicContact CD1-CE2 4.47Å; Y180-F388 AromaticContact CD1-CZ 3.37Å; Y180-F388 HydrophobicContact CD1-CZ 3.37Å; Y180-F388 HydrophobicContact CE1-CE1 4.37Å; Y180-F388 AromaticContact CE1-CZ 3.58Å; Y180-F388 HydrophobicContact CE1-CZ 3.58Å; Y180-F388 AromaticContact CG-CE1 3.93Å; Y180-F388 HydrophobicContact CG-CE1 3.93Å; Y180-F388 AromaticContact CG-CZ 3.93Å; Y180-F388 HydrophobicContact CG-CZ 3.93Å; W183-F388 AromaticContact CD1-CD2 3.76Å; W183-F388 AromaticContact CD1-CE2 3.68Å; W183-F388 AromaticContact NE1-CD2 3.61Å; W183-F388 AromaticContact NE1-CE2 3.82Å; I184-F388 HydrophobicContact CD1-CD1 3.94Å; I184-F388 HydrophobicContact CD1-CE1 4.34Å; I184-F388 HydrophobicContact CG1-CD1 3.99Å; I184-F388 HydrophobicContact CG1-CE1 4.49Å; L218-F388 HydrophobicContact CD2-CE2 4.09Å; L218-F388 HydrophobicContact CD2-CZ 3.95Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.43Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.45Å; H222-F388 PolarHBondContact CD2-N 3.49Å; H222-F388 AromaticContact CG-CD2 3.61Å; H222-F388 AromaticContact ND1-CD2 3.61Å; A385-F388 WeakPolarHBondContact O-CB 3.46Å; A385-F388 PolarHBondContact O-N 3.42Å; R386-F388 PolarHBondContact O-N 3.39Å; F388-I390 VanDerWaalsContact C-N 3.31Å; F388-I390 PolarHBondContact O-N 2.82Å; F388-M391 PolarHBondContact O-N 2.98Å; F388-Y392 WeakPolarHBondContact O-CB 3.25Å; F388-Y392 PolarHBondContact O-N 3.22Å
389I95.4Very high93.8Very high2 Ų243.9 Ų43.91%0.0122%0.22CC..Hα-helixtrans-67.7-31.9-177.6-159.864.8000112.6L138 A385 R386 Y392 G393 V413 I416 L417L138-I389 HydrophobicContact CD1-CB 4.16Å; L138-I389 HydrophobicContact CD1-CD1 4.31Å; L138-I389 HydrophobicContact CD1-CG1 3.96Å; L138-I389 HydrophobicContact CD1-CG2 4.3Å; A385-I389 PolarHBondContact O-N 3.24Å; R386-I389 VanDerWaalsContact O-CG2 3.32Å; R386-I389 WeakPolarHBondContact O-CG2 3.46Å; R386-I389 PolarHBondContact O-N 3.16Å; I389-Y392 HydrophobicContact CD1-CD1 3.99Å; I389-G393 PolarHBondContact O-N 2.94Å; I389-V413 HydrophobicContact CD1-CG1 4.18Å; I389-V413 HydrophobicContact CG1-CG1 4.45Å; I389-I416 HydrophobicContact CD1-CD1 4.26Å; I389-I416 HydrophobicContact CD1-CG2 4.12Å; I389-I416 HydrophobicContact CG1-CG2 4.2Å; I389-L417 HydrophobicContact CG1-CD2 4.06Å; I389-L417 HydrophobicContact CG1-CG 4.27Å; I389-L417 HydrophobicContact CG2-CD2 4.1Å
390I95.7Very high93.7Very high11 Ų1138.5 Ų38.56%0.05620%0.197CC..Hα-helixtrans-64-49.4173.9-69.2165000109.8C378 F379 L382 R386 I387 F388 Y392 G393 V394C378-I390 HydrophobicContact CB-CD1 3.82Å; C378-I390 HydrophobicContact CB-CG1 3.75Å; F379-I390 HydrophobicContact CD1-CD1 4.04Å; F379-I390 HydrophobicContact CD2-CD1 4.18Å; F379-I390 HydrophobicContact CE1-CD1 4.07Å; F379-I390 HydrophobicContact CE1-CG2 4.15Å; F379-I390 HydrophobicContact CE2-CD1 4.19Å; F379-I390 HydrophobicContact CE2-CG1 4.35Å; F379-I390 HydrophobicContact CE2-CG2 3.78Å; F379-I390 HydrophobicContact CG-CD1 4.1Å; F379-I390 HydrophobicContact CZ-CD1 4.15Å; F379-I390 HydrophobicContact CZ-CG2 3.43Å; F379-I390 VanDerWaalsContact CZ-CG2 3.43Å; L382-I390 HydrophobicContact CD2-CD1 4.09Å; R386-I390 WeakPolarHBondContact O-CD1 3.33Å; R386-I390 VanDerWaalsContact O-CG1 3.24Å; R386-I390 WeakPolarHBondContact O-CG1 3.38Å; R386-I390 PolarHBondContact O-N 2.95Å; I387-I390 PolarHBondContact O-N 3.32Å; F388-I390 VanDerWaalsContact C-N 3.31Å; F388-I390 PolarHBondContact O-N 2.82Å; I390-Y392 VanDerWaalsContact C-N 3.33Å; I390-Y392 PolarHBondContact O-N 3.12Å; I390-G393 PolarHBondContact O-N 3.46Å; I390-V394 HydrophobicContact CG2-CG2 4.48Å; I390-V394 WeakPolarHBondContact O-CG2 3.34Å; I390-V394 PolarHBondContact O-N 3.02Å
391M95Very high93.6Very high40 Ų4036.2 Ų36.220%0.19719%0.191CC..Hα-helixtrans-61.2-43.7177.7-68.7-52.3-62.100111.3L218 L221 V225 I387 F388 G393 V394 T395L218-M391 HydrophobicContact CD1-CB 4.26Å; L221-M391 HydrophobicContact CD1-CE 4.26Å; L221-M391 HydrophobicContact CD2-CE 3.53Å; L221-M391 HydrophobicContact CG-CE 3.77Å; V225-M391 HydrophobicContact CG2-CE 4.3Å; V225-M391 HydrophobicContact CG2-SD 4.21Å; I387-M391 WeakPolarHBondContact O-CG 3.43Å; I387-M391 PolarHBondContact O-N 2.98Å; F388-M391 PolarHBondContact O-N 2.98Å; M391-G393 VanDerWaalsContact C-N 3.34Å; M391-G393 PolarHBondContact O-N 3.41Å; M391-V394 PolarHBondContact O-N 3.35Å; M391-T395 VanDerWaalsContact O-CB 3.3Å; M391-T395 WeakPolarHBondContact O-CB 3.45Å; M391-T395 PolarHBondContact O-N 3.43Å; M391-T395 PolarHBondContact O-OG1 2.86Å
392Y95.9Very high93.5Very high1 Ų132.8 Ų32.80%0.00417%0.173CC..Hα-helixtrans-57.9-47175.7-174.4-165.5000111.3M176 Y180 F214 L218 F388 I389 I390 S396 V409 V413M176-Y392 VanDerWaalsContact CE-OH 3.31Å; M176-Y392 WeakPolarHBondContact CE-OH 3.27Å; Y180-Y392 HydrophobicContact CD2-CD1 4.05Å; Y180-Y392 AromaticContact CD2-CE1 3.59Å; Y180-Y392 HydrophobicContact CD2-CE1 3.59Å; Y180-Y392 AromaticContact CE2-CD1 3.81Å; Y180-Y392 HydrophobicContact CE2-CD1 3.81Å; Y180-Y392 HydrophobicContact CE2-CD2 4.43Å; Y180-Y392 AromaticContact CE2-CE1 3.31Å; Y180-Y392 HydrophobicContact CE2-CE1 3.31Å; Y180-Y392 HydrophobicContact CE2-CE2 4.07Å; Y180-Y392 HydrophobicContact CE2-CG 4.38Å; Y180-Y392 AromaticContact CE2-CZ 3.53Å; F214-Y392 AromaticContact CE1-CD2 3.97Å; F214-Y392 HydrophobicContact CE1-CD2 3.97Å; F214-Y392 AromaticContact CE1-CE2 3.69Å; F214-Y392 HydrophobicContact CE1-CE2 3.69Å; F214-Y392 AromaticContact CZ-CD2 3.89Å; F214-Y392 HydrophobicContact CZ-CD2 3.89Å; F214-Y392 AromaticContact CZ-CE2 3.91Å; F214-Y392 HydrophobicContact CZ-CE2 3.91Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 3.88Å; F388-Y392 WeakPolarHBondContact O-CB 3.25Å; F388-Y392 PolarHBondContact O-N 3.22Å; I389-Y392 HydrophobicContact CD1-CD1 3.99Å; I390-Y392 VanDerWaalsContact C-N 3.33Å; I390-Y392 PolarHBondContact O-N 3.12Å; Y392-S396 WeakPolarHBondContact O-CB 3.11Å; Y392-S396 PolarHBondContact O-N 3.43Å; Y392-V409 HydrophobicContact CE2-CG1 4.08Å; Y392-V409 PolarHBondContact OH-O 2.84Å; Y392-V413 HydrophobicContact CD1-CG2 3.29Å; Y392-V413 HydrophobicContact CD2-CG2 3.57Å; Y392-V413 HydrophobicContact CE1-CB 4.41Å; Y392-V413 HydrophobicContact CE1-CG2 3.06Å; Y392-V413 HydrophobicContact CE2-CG2 3.3Å; Y392-V413 HydrophobicContact CG-CG2 3.51Å; Y392-V413 WeakPolarHBondContact OH-CG2 3.47Å
393G95Very high93.3Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-62.5-47179.100000113.6I389 I390 M391 M397I389-G393 PolarHBondContact O-N 2.94Å; I390-G393 PolarHBondContact O-N 3.46Å; M391-G393 VanDerWaalsContact C-N 3.34Å; M391-G393 PolarHBondContact O-N 3.41Å; G393-M397 WeakPolarHBondContact O-CB 3.21Å; G393-M397 PolarHBondContact O-N 3.41Å
394V95.1Very high93Very high66 Ų6629.9 Ų29.940%0.416%0.156SC..Hα-helixtrans-67.5-47.8-178.41750000111.1L375 I390 M391 M397 Y398L375-V394 HydrophobicContact CD2-CG2 4.49Å; I390-V394 HydrophobicContact CG2-CG2 4.48Å; I390-V394 WeakPolarHBondContact O-CG2 3.34Å; I390-V394 PolarHBondContact O-N 3.02Å; M391-V394 PolarHBondContact O-N 3.35Å; V394-M397 PolarHBondContact O-N 3.25Å; V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.15Å
395T93.8Very high92.6Very high30 Ų3031 Ų3118%0.18416%0.158CC..Hα-helixtrans-65.9-42.5-179.3-57.50000111.2F214 M391 M397 Y398 F399F214-T395 HydrophobicContact CE2-CG2 3.95Å; M391-T395 VanDerWaalsContact O-CB 3.3Å; M391-T395 WeakPolarHBondContact O-CB 3.45Å; M391-T395 PolarHBondContact O-N 3.43Å; M391-T395 PolarHBondContact O-OG1 2.86Å; T395-M397 VanDerWaalsContact C-N 3.34Å; T395-M397 PolarHBondContact O-N 3.14Å; T395-Y398 PolarHBondContact O-N 3.2Å; T395-F399 HydrophobicContact CG2-CD2 3.76Å; T395-F399 HydrophobicContact CG2-CE2 3.46Å; T395-F399 VanDerWaalsContact CG2-CE2 3.46Å; T395-F399 WeakPolarHBondContact O-CD2 3.5Å; T395-F399 PolarHBondContact O-N 2.92Å; T395-F399 VanDerWaalsContact O-N 3.17Å
396S94.1Very high92.4Very high2 Ų232.2 Ų32.21%0.01416%0.164CC..Hα-helixtrans-66.3-35.7178.1-167.20000112.8Y392 F399 S400 V409 L410Y392-S396 WeakPolarHBondContact O-CB 3.11Å; Y392-S396 PolarHBondContact O-N 3.43Å; S396-F399 PolarHBondContact O-N 3.39Å; S396-S400 WeakPolarHBondContact O-CB 3.3Å; S396-S400 PolarHBondContact O-N 3.2Å; S396-S400 PolarHBondContact O-OG 3.47Å; S396-V409 PolarHBondContact OG-O 2.87Å; S396-L410 WeakPolarHBondContact OG-CA 3.14Å; S396-L410 PolarHBondContact OG-N 2.78Å
397M94.1Very high92.2Very high86 Ų8630.1 Ų30.142%0.42416%0.157SC..Hα-helixtrans-66.9-37.6177.5-179.7-178.967.200112F371 G393 V394 T395 S400 A401 L410F371-M397 HydrophobicContact CE1-SD 3.84Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; G393-M397 WeakPolarHBondContact O-CB 3.21Å; G393-M397 PolarHBondContact O-N 3.41Å; V394-M397 PolarHBondContact O-N 3.25Å; T395-M397 VanDerWaalsContact C-N 3.34Å; T395-M397 PolarHBondContact O-N 3.14Å; M397-S400 WeakPolarHBondContact CA-OG 3.2Å; M397-S400 PolarHBondContact O-OG 3.34Å; M397-A401 WeakPolarHBondContact O-CB 3.4Å; M397-A401 PolarHBondContact O-N 3.12Å; M397-L410 HydrophobicContact CB-CD1 4.18Å
398Y93.1Very high92.1Very high118 Ų11829.9 Ų29.946%0.46316%0.155SC..Hα-helixtrans-63.7-49.3173.8175.3-95.9000111.1V394 T395 S400 A401 V402V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.15Å; T395-Y398 PolarHBondContact O-N 3.2Å; Y398-S400 PolarHBondContact O-N 2.96Å; Y398-A401 WeakPolarHBondContact O-CB 3.41Å; Y398-A401 PolarHBondContact O-N 2.72Å; Y398-A401 VanDerWaalsContact O-N 3.08Å; Y398-V402 HydrophobicContact CE1-CG2 4.09Å; Y398-V402 HydrophobicContact CE2-CG2 4.5Å; Y398-V402 PolarHBondContact O-N 2.85Å
399F91.4Very high91.9Very high41 Ų4130.1 Ų30.118%0.1816%0.157CC..Hα-helixtrans-66-36.8-178.4-78-56000113.5F214 L333 T395 S396 A401 V402 M403 L406F214-F399 HydrophobicContact CD2-CD2 4.24Å; F214-F399 HydrophobicContact CD2-CE2 4.23Å; F214-F399 AromaticContact CE2-CD2 3.91Å; F214-F399 HydrophobicContact CE2-CD2 3.91Å; F214-F399 HydrophobicContact CE2-CE2 4.13Å; L333-F399 HydrophobicContact CB-CD1 4.09Å; L333-F399 HydrophobicContact CB-CE1 3.9Å; T395-F399 HydrophobicContact CG2-CD2 3.76Å; T395-F399 HydrophobicContact CG2-CE2 3.46Å; T395-F399 VanDerWaalsContact CG2-CE2 3.46Å; T395-F399 WeakPolarHBondContact O-CD2 3.5Å; T395-F399 PolarHBondContact O-N 2.92Å; T395-F399 VanDerWaalsContact O-N 3.17Å; S396-F399 PolarHBondContact O-N 3.39Å; F399-A401 PolarHBondContact O-N 3.08Å; F399-V402 PolarHBondContact O-N 3.11Å; F399-M403 PolarHBondContact O-N 3.14Å; F399-M403 VanDerWaalsContact O-N 3.13Å; F399-L406 HydrophobicContact CB-CB 4.5Å; F399-L406 HydrophobicContact CB-CD1 3.8Å; F399-L406 HydrophobicContact CD1-CD1 4.4Å; F399-L406 HydrophobicContact CG-CD1 4.38Å
400S92.4Very high91.9Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-65.4-30.3173.162.80000112T355 Y360 S396 M397 Y398 V402 L410T355-S400 WeakPolarHBondContact CG2-O 3.4Å; T355-S400 PolarHBondContact OG1-O 3.45Å; Y360-S400 WeakPolarHBondContact OH-CB 3.15Å; Y360-S400 PolarHBondContact OH-O 3.35Å; Y360-S400 PolarHBondContact OH-OG 3.07Å; S396-S400 WeakPolarHBondContact O-CB 3.3Å; S396-S400 PolarHBondContact O-N 3.2Å; S396-S400 PolarHBondContact O-OG 3.47Å; M397-S400 WeakPolarHBondContact CA-OG 3.2Å; M397-S400 PolarHBondContact O-OG 3.34Å; Y398-S400 PolarHBondContact O-N 2.96Å; S400-V402 VanDerWaalsContact C-N 3.33Å; S400-L410 WeakPolarHBondContact OG-CD2 3.36Å
401A90.3Very high91.8Very high47 Ų4729.6 Ų29.639%0.38815%0.154SC..Hα-helixtrans-69.5-34.3178.100000112T355 Y360 M397 Y398 F399T355-A401 PolarHBondContact N-O 3.44Å; T355-A401 WeakPolarHBondContact OG1-CA 3.35Å; T355-A401 PolarHBondContact OG1-O 3.01Å; Y360-A401 WeakPolarHBondContact OH-CA 2.95Å; Y360-A401 PolarHBondContact OH-N 3.22Å; M397-A401 WeakPolarHBondContact O-CB 3.4Å; M397-A401 PolarHBondContact O-N 3.12Å; Y398-A401 WeakPolarHBondContact O-CB 3.41Å; Y398-A401 PolarHBondContact O-N 2.72Å; Y398-A401 VanDerWaalsContact O-N 3.08Å; F399-A401 PolarHBondContact O-N 3.08Å
402V89.2Confident91.9Very high22 Ų2227.7 Ų27.713%0.13315%0.145CC..Hα-helixtrans-76.1-35.7178.7175.90000112L333 P336 P354 Y398 F399 S400L333-V402 HydrophobicContact CD2-CG1 4.4Å; P336-V402 HydrophobicContact CB-CG1 4.13Å; P354-V402 WeakPolarHBondContact CA-O 3.46Å; Y398-V402 HydrophobicContact CE1-CG2 4.09Å; Y398-V402 HydrophobicContact CE2-CG2 4.5Å; Y398-V402 PolarHBondContact O-N 2.85Å; F399-V402 PolarHBondContact O-N 3.11Å; S400-V402 VanDerWaalsContact C-N 3.33Å
403M87.3Confident91.9Very high7 Ų727.7 Ų27.73%0.03415%0.145CC..  trans-142.7127.1-172.1-177.9174.8178.600113.1L333 E351 H352 F399 R405 L406L333-M403 HydrophobicContact CD2-CB 4.06Å; L333-M403 HydrophobicContact CD2-SD 3.91Å; E351-M403 VanDerWaalsContact O-CG 3.32Å; E351-M403 WeakPolarHBondContact O-CG 3.32Å; H352-M403 WeakPolarHBondContact CE1-CE 3.27Å; H352-M403 WeakPolarHBondContact ND1-CE 3.46Å; H352-M403 PolarHBondContact ND1-SD 3Å; H352-M403 VanDerWaalsContact ND1-SD 3.37Å; F399-M403 PolarHBondContact O-N 3.14Å; F399-M403 VanDerWaalsContact O-N 3.13Å; M403-R405 HydrophobicContact CE-CB 3.56Å; M403-R405 HydrophobicContact CE-CG 4.4Å; M403-R405 HydrophobicContact CG-CB 4.3Å; M403-R405 PolarHBondContact O-N 3.47Å; M403-R405 HydrophobicContact SD-CB 4.46Å; M403-L406 HydrophobicContact CB-CD1 4.11Å; M403-L406 HydrophobicContact CB-CG 4.14Å; M403-L406 HydrophobicContact CG-CG 4.29Å; M403-L406 PolarHBondContact O-N 2.95Å; M403-L406 VanDerWaalsContact O-N 3.09Å; M403-L406 HydrophobicContact SD-CD1 4.35Å; M403-L406 HydrophobicContact SD-CG 4.18Å
404V87.2Confident91.9Very high57 Ų5728.1 Ų28.135%0.34515%0.147SC..G310 helixtrans-56.2-43.3-179.9172.70000113.2Q353 T355 L406 M407Q353-V404 VanDerWaalsContact O-CG2 3.24Å; Q353-V404 WeakPolarHBondContact O-CG2 3.1Å; Q353-V404 PolarHBondContact O-N 3.22Å; T355-V404 VanDerWaalsContact CG2-CA 3.45Å; T355-V404 HydrophobicContact CG2-CB 4.01Å; T355-V404 HydrophobicContact CG2-CG2 3.54Å; V404-L406 PolarHBondContact O-N 3.42Å; V404-L406 VanDerWaalsContact O-N 3.14Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.42Å; V404-M407 VanDerWaalsContact O-N 3.12Å
405R84.1Confident92Very high52 Ų5225 Ų2520%0.19613%0.128CC..G310 helixtrans-59.4-28.6179.7-157-176.9176.5136.1-4.6113.4E169 E351 M403 M407 L408E169-R405 IonicContact OE1-CZ 3.71Å; E169-R405 IonicContact OE1-NE 3.79Å; E169-R405 PolarHBondContact OE1-NE 2.92Å; E169-R405 VanDerWaalsContact OE1-NE 3.14Å; E169-R405 IonicContact OE1-NH2 2.67Å; E169-R405 PolarHBondContact OE1-NH2 2.94Å; E169-R405 IonicContact OE2-NH2 2.8Å; E351-R405 HydrophobicContact CB-CB 4.3Å; E351-R405 PolarHBondContact O-N 3.17Å; E351-R405 VanDerWaalsContact OE2-CD 3.26Å; E351-R405 WeakPolarHBondContact OE2-CD 3.27Å; E351-R405 IonicContact OE2-CZ 3.37Å; E351-R405 IonicContact OE2-NE 2.87Å; E351-R405 IonicContact OE2-NH1 2.65Å; E351-R405 PolarHBondContact OE2-NH1 2.92Å; M403-R405 HydrophobicContact CE-CB 3.56Å; M403-R405 HydrophobicContact CE-CG 4.4Å; M403-R405 HydrophobicContact CG-CB 4.3Å; M403-R405 PolarHBondContact O-N 3.47Å; M403-R405 HydrophobicContact SD-CB 4.46Å; R405-M407 PolarHBondContact O-N 3.39Å; R405-L408 WeakPolarHBondContact O-CB 3.24Å; R405-L408 PolarHBondContact O-N 3.02Å
406L87.9Confident92.1Very high29 Ų2923.5 Ų23.515%0.15212%0.119CC..G310 helixtrans-79.8-3.7-176.8-61.5-177.7000113.2L333 F399 M403 V404 L408 V409 L410L333-L406 HydrophobicContact CD1-CD1 4.06Å; L333-L406 HydrophobicContact CD2-CD1 3.75Å; F399-L406 HydrophobicContact CB-CB 4.5Å; F399-L406 HydrophobicContact CB-CD1 3.8Å; F399-L406 HydrophobicContact CD1-CD1 4.4Å; F399-L406 HydrophobicContact CG-CD1 4.38Å; M403-L406 HydrophobicContact CB-CD1 4.11Å; M403-L406 HydrophobicContact CB-CG 4.14Å; M403-L406 HydrophobicContact CG-CG 4.29Å; M403-L406 PolarHBondContact O-N 2.95Å; M403-L406 VanDerWaalsContact O-N 3.09Å; M403-L406 HydrophobicContact SD-CD1 4.35Å; M403-L406 HydrophobicContact SD-CG 4.18Å; V404-L406 PolarHBondContact O-N 3.42Å; V404-L406 VanDerWaalsContact O-N 3.14Å; L406-L408 PolarHBondContact O-N 3.23Å; L406-V409 PolarHBondContact O-N 3.46Å; L406-V409 VanDerWaalsContact O-N 3.07Å; L406-L410 PolarHBondContact O-N 2.97Å
407M89.5Confident92.2Very high8 Ų823.4 Ų23.44%0.03912%0.119CC..Hα-helixtrans-55.4-31.3166.8-169.860.7162.800112.5Y360 D363 L364 V404 R405 V409 L410 A411Y360-M407 HydrophobicContact CD1-CE 3.63Å; Y360-M407 HydrophobicContact CD1-SD 3.9Å; Y360-M407 HydrophobicContact CE1-CE 4.1Å; Y360-M407 HydrophobicContact CE1-SD 3.71Å; Y360-M407 HydrophobicContact CG-CE 4.33Å; D363-M407 HydrophobicContact CB-CE 3.49Å; D363-M407 VanDerWaalsContact CB-CE 3.49Å; D363-M407 WeakPolarHBondContact OD2-CG 3.2Å; L364-M407 HydrophobicContact CD1-CE 3.27Å; L364-M407 HydrophobicContact CD1-SD 4.2Å; L364-M407 HydrophobicContact CG-CE 3.63Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.42Å; V404-M407 VanDerWaalsContact O-N 3.12Å; R405-M407 PolarHBondContact O-N 3.39Å; M407-V409 VanDerWaalsContact C-N 3.29Å; M407-V409 PolarHBondContact O-N 3.02Å; M407-L410 WeakPolarHBondContact O-CB 3.19Å; M407-L410 PolarHBondContact O-N 3.43Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; M407-A411 PolarHBondContact O-N 3Å; M407-A411 VanDerWaalsContact O-N 3.11Å
408L91.8Very high92.3Very high7 Ų719.3 Ų19.34%0.03710%0.098CC..Hα-helixtrans-58.3-38.7175.4-172.874.5000112.8Y157 R160 E169 I173 R405 L406 P412Y157-L408 HydrophobicContact CD2-CD1 3.83Å; R160-L408 HydrophobicContact CB-CD1 4.12Å; E169-L408 HydrophobicContact CB-CD2 3.59Å; E169-L408 HydrophobicContact CG-CD2 3.38Å; I173-L408 HydrophobicContact CD1-CD2 3.97Å; I173-L408 HydrophobicContact CD1-CG 3.84Å; I173-L408 HydrophobicContact CG1-CD1 4.41Å; I173-L408 HydrophobicContact CG1-CD2 4.03Å; I173-L408 HydrophobicContact CG1-CG 4Å; R405-L408 WeakPolarHBondContact O-CB 3.24Å; R405-L408 PolarHBondContact O-N 3.02Å; L406-L408 PolarHBondContact O-N 3.23Å; L408-P412 WeakPolarHBondContact O-CD 3.28Å
409V92.3Very high92.4Very high7 Ų713.7 Ų13.74%0.0428%0.076CC..Hα-helixtrans-78.5-25.1-178.9-178.30000111.5M176 W209 F214 Y392 S396 L406 M407 P412M176-V409 HydrophobicContact CE-CG1 4.24Å; M176-V409 HydrophobicContact SD-CG1 4Å; W209-V409 HydrophobicContact CH2-CG2 3.72Å; W209-V409 HydrophobicContact CZ3-CG2 4.17Å; F214-V409 HydrophobicContact CD1-CG1 4.14Å; F214-V409 HydrophobicContact CE1-CG1 3.7Å; F214-V409 HydrophobicContact CZ-CG1 4.11Å; Y392-V409 HydrophobicContact CE2-CG1 4.08Å; Y392-V409 PolarHBondContact OH-O 2.84Å; S396-V409 PolarHBondContact OG-O 2.87Å; L406-V409 PolarHBondContact O-N 3.46Å; L406-V409 VanDerWaalsContact O-N 3.07Å; M407-V409 VanDerWaalsContact C-N 3.29Å; M407-V409 PolarHBondContact O-N 3.02Å; V409-P412 WeakPolarHBondContact O-CD 3.41Å
410L94.9Very high92.6Very high2 Ų212.1 Ų12.11%0.017%0.07CC..Hα-helixtrans-74.5-40.5176.6179.666.5000112Y360 L364 S396 M397 S400 L406 M407 V413 M414Y360-L410 HydrophobicContact CD1-CD2 4.34Å; Y360-L410 HydrophobicContact CE1-CD2 3.68Å; L364-L410 HydrophobicContact CD1-CD2 4.23Å; S396-L410 WeakPolarHBondContact OG-CA 3.14Å; S396-L410 PolarHBondContact OG-N 2.78Å; M397-L410 HydrophobicContact CB-CD1 4.18Å; S400-L410 WeakPolarHBondContact OG-CD2 3.36Å; L406-L410 PolarHBondContact O-N 2.97Å; M407-L410 WeakPolarHBondContact O-CB 3.19Å; M407-L410 PolarHBondContact O-N 3.43Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; L410-V413 PolarHBondContact O-N 3.41Å; L410-M414 HydrophobicContact CD1-CG 3.85Å; L410-M414 HydrophobicContact CD1-SD 3.92Å; L410-M414 HydrophobicContact CD2-CG 4.14Å; L410-M414 HydrophobicContact CD2-SD 4.28Å; L410-M414 HydrophobicContact CG-CG 3.58Å; L410-M414 HydrophobicContact CG-SD 4.11Å; L410-M414 WeakPolarHBondContact O-CG 3.16Å; L410-M414 PolarHBondContact O-N 2.9Å; L410-M414 VanDerWaalsContact O-N 3.07Å
411A94.8Very high92.8Very high0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-51.3-44-173.400000114.3V154 L364 M407 V413 M414 C415V154-A411 HydrophobicContact CG1-CB 4.38Å; V154-A411 HydrophobicContact CG2-CB 4.34Å; L364-A411 HydrophobicContact CD2-CB 4.37Å; M407-A411 PolarHBondContact O-N 3Å; M407-A411 VanDerWaalsContact O-N 3.11Å; A411-V413 PolarHBondContact O-N 3.3Å; A411-M414 PolarHBondContact O-N 3.06Å; A411-C415 PolarHBondContact O-N 3.2Å; A411-C415 PolarHBondContact O-SG 3.16Å
412P95.3Very high93Very high0 Ų09.9 Ų9.90%05%0.051CC..Hα-helixtrans-61.6-42.2176.7-23.733.1000114.1I151 I173 M176 L177 L408 V409 C415 I416I151-P412 HydrophobicContact CD1-CB 4.09Å; I151-P412 HydrophobicContact CD1-CG 4.37Å; I173-P412 HydrophobicContact CG2-CG 3.81Å; M176-P412 HydrophobicContact CE-CG 4.28Å; L177-P412 HydrophobicContact CD1-CB 4.14Å; L177-P412 HydrophobicContact CD2-CB 3.8Å; L177-P412 HydrophobicContact CG-CB 4.38Å; L408-P412 WeakPolarHBondContact O-CD 3.28Å; V409-P412 WeakPolarHBondContact O-CD 3.41Å; P412-C415 PolarHBondContact O-N 2.62Å; P412-I416 WeakPolarHBondContact O-CD1 3.4Å; P412-I416 VanDerWaalsContact O-CG1 3.25Å; P412-I416 WeakPolarHBondContact O-CG1 3.45Å; P412-I416 PolarHBondContact O-N 2.97Å
413V95.9Very high93.3Very high0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-67.1-40.9179.4-168.30000111.5F371 I389 Y392 L410 A411 C415 I416 L417F371-V413 HydrophobicContact CE2-CG1 4.35Å; I389-V413 HydrophobicContact CD1-CG1 4.18Å; I389-V413 HydrophobicContact CG1-CG1 4.45Å; Y392-V413 HydrophobicContact CD1-CG2 3.29Å; Y392-V413 HydrophobicContact CD2-CG2 3.57Å; Y392-V413 HydrophobicContact CE1-CB 4.41Å; Y392-V413 HydrophobicContact CE1-CG2 3.06Å; Y392-V413 HydrophobicContact CE2-CG2 3.3Å; Y392-V413 HydrophobicContact CG-CG2 3.51Å; Y392-V413 WeakPolarHBondContact OH-CG2 3.47Å; L410-V413 PolarHBondContact O-N 3.41Å; A411-V413 PolarHBondContact O-N 3.3Å; V413-C415 VanDerWaalsContact C-N 3.3Å; V413-C415 PolarHBondContact O-N 3.35Å; V413-I416 PolarHBondContact O-N 3.16Å; V413-L417 HydrophobicContact CG1-CD1 3.56Å; V413-L417 HydrophobicContact CG1-CG 4.11Å; V413-L417 WeakPolarHBondContact O-CB 3.07Å; V413-L417 PolarHBondContact O-N 3.28Å
414M95.8Very high93.5Very high9 Ų911.2 Ų11.24%0.0446%0.057CC..Hα-helixtrans-57.3-48.2175.3-63.2-67.3-67.700109.6L364 L367 V368 F371 L410 A411 I416 L417 S418L364-M414 HydrophobicContact CD1-CE 4.03Å; L364-M414 HydrophobicContact CD1-CG 4.02Å; L364-M414 HydrophobicContact CD2-CB 4.19Å; L364-M414 HydrophobicContact CD2-CG 4.34Å; L367-M414 HydrophobicContact CB-CB 4.27Å; L367-M414 HydrophobicContact CB-CE 4.39Å; L367-M414 HydrophobicContact CD2-CB 4.02Å; L367-M414 WeakPolarHBondContact O-CE 3.15Å; V368-M414 HydrophobicContact CG1-CE 4.37Å; F371-M414 HydrophobicContact CB-CE 3.39Å; F371-M414 HydrophobicContact CB-SD 3.76Å; F371-M414 HydrophobicContact CD1-CE 4.38Å; F371-M414 HydrophobicContact CD1-SD 4.03Å; F371-M414 HydrophobicContact CD2-CE 3.98Å; F371-M414 HydrophobicContact CD2-CG 4.36Å; F371-M414 HydrophobicContact CD2-SD 3.08Å; F371-M414 WeakPolarHBondContact CD2-SD 3.43Å; F371-M414 HydrophobicContact CE1-SD 4.35Å; F371-M414 HydrophobicContact CE2-SD 3.41Å; F371-M414 WeakPolarHBondContact CE2-SD 3.29Å; F371-M414 HydrophobicContact CG-CE 3.71Å; F371-M414 HydrophobicContact CG-SD 3.38Å; F371-M414 WeakPolarHBondContact CG-SD 3.26Å; F371-M414 HydrophobicContact CZ-SD 4.05Å; L410-M414 HydrophobicContact CD1-CG 3.85Å; L410-M414 HydrophobicContact CD1-SD 3.92Å; L410-M414 HydrophobicContact CD2-CG 4.14Å; L410-M414 HydrophobicContact CD2-SD 4.28Å; L410-M414 HydrophobicContact CG-CG 3.58Å; L410-M414 HydrophobicContact CG-SD 4.11Å; L410-M414 WeakPolarHBondContact O-CG 3.16Å; L410-M414 PolarHBondContact O-N 2.9Å; L410-M414 VanDerWaalsContact O-N 3.07Å; A411-M414 PolarHBondContact O-N 3.06Å; M414-I416 VanDerWaalsContact C-N 3.35Å; M414-I416 PolarHBondContact O-N 3.08Å; M414-L417 PolarHBondContact O-N 3.38Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 2.94Å; M414-S418 PolarHBondContact O-OG 2.84Å
415C96.6Very high93.8Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-59.6-42.8176.9-64.20000112.6M150 I151 L367 A411 P412 V413 G419M150-C415 HydrophobicContact CB-CB 4.35Å; I151-C415 HydrophobicContact CB-CB 3.99Å; L367-C415 HydrophobicContact CD2-CB 4.44Å; L367-C415 VanDerWaalsContact CD2-SG 3.52Å; A411-C415 PolarHBondContact O-N 3.2Å; A411-C415 PolarHBondContact O-SG 3.16Å; P412-C415 PolarHBondContact O-N 2.62Å; V413-C415 VanDerWaalsContact C-N 3.3Å; V413-C415 PolarHBondContact O-N 3.35Å; C415-G419 WeakPolarHBondContact O-CA 3.23Å; C415-G419 PolarHBondContact O-N 3.48Å
416I96.5Very high94.1Very high0 Ų08.9 Ų8.90%05%0.046CC..Hα-helixtrans-65.2-50-179.9-66.9159.2000111T131 L134 T135 L138 I389 P412 V413 M414 G419 I420T131-I416 HydrophobicContact CG2-CG1 4.01Å; L134-I416 HydrophobicContact CD1-CD1 4.41Å; L134-I416 HydrophobicContact CD2-CD1 3.67Å; L134-I416 HydrophobicContact CD2-CG1 4.35Å; L134-I416 HydrophobicContact CD2-CG2 4.42Å; T135-I416 HydrophobicContact CG2-CG2 4.33Å; L138-I416 HydrophobicContact CD1-CG2 3.62Å; I389-I416 HydrophobicContact CD1-CD1 4.26Å; I389-I416 HydrophobicContact CD1-CG2 4.12Å; I389-I416 HydrophobicContact CG1-CG2 4.2Å; P412-I416 WeakPolarHBondContact O-CD1 3.4Å; P412-I416 VanDerWaalsContact O-CG1 3.25Å; P412-I416 WeakPolarHBondContact O-CG1 3.45Å; P412-I416 PolarHBondContact O-N 2.97Å; V413-I416 PolarHBondContact O-N 3.16Å; M414-I416 VanDerWaalsContact C-N 3.35Å; M414-I416 PolarHBondContact O-N 3.08Å; I416-G419 PolarHBondContact O-N 3.13Å; I416-I420 HydrophobicContact CG2-CD1 4.14Å; I416-I420 VanDerWaalsContact O-CG1 3.31Å; I416-I420 WeakPolarHBondContact O-CG1 3Å; I416-I420 PolarHBondContact O-N 2.84Å
417L96.4Very high94.3Very high0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-73.3-41-176.2-70.2173.4000111.8F371 G374 L375 C378 I389 V413 M414 G419 I420 G421F371-L417 HydrophobicContact CD2-CB 4.07Å; F371-L417 HydrophobicContact CD2-CD1 3.88Å; F371-L417 HydrophobicContact CE2-CD1 3.56Å; F371-L417 HydrophobicContact CZ-CD1 4.4Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.48Å; L375-L417 HydrophobicContact CD1-CD1 3.47Å; L375-L417 VanDerWaalsContact CD1-CD1 3.47Å; L375-L417 HydrophobicContact CD1-CG 4.48Å; L375-L417 HydrophobicContact CG-CD1 4.27Å; C378-L417 VanDerWaalsContact SG-CD2 3.51Å; I389-L417 HydrophobicContact CG1-CD2 4.06Å; I389-L417 HydrophobicContact CG1-CG 4.27Å; I389-L417 HydrophobicContact CG2-CD2 4.1Å; V413-L417 HydrophobicContact CG1-CD1 3.56Å; V413-L417 HydrophobicContact CG1-CG 4.11Å; V413-L417 WeakPolarHBondContact O-CB 3.07Å; V413-L417 PolarHBondContact O-N 3.28Å; M414-L417 PolarHBondContact O-N 3.38Å; L417-G419 VanDerWaalsContact C-N 3.32Å; L417-G419 PolarHBondContact O-N 2.93Å; L417-I420 HydrophobicContact CD2-CD1 4.45Å; L417-I420 PolarHBondContact O-N 3.01Å; L417-G421 PolarHBondContact O-N 2.77Å
418S96.3Very high94.2Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-63.6-39.2172.5-58.80000111.3L367 F371 M414 I420 G421 V422L367-S418 WeakPolarHBondContact CA-OG 3.32Å; L367-S418 PolarHBondContact O-OG 3.25Å; F371-S418 PolarHBondContact N-OG 3.1Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 2.94Å; M414-S418 PolarHBondContact O-OG 2.84Å; S418-I420 PolarHBondContact O-N 3.28Å; S418-G421 PolarHBondContact O-N 3.34Å; S418-V422 WeakPolarHBondContact O-CG2 3.18Å; S418-V422 PolarHBondContact O-N 3.1Å
419G95.8Very high94.1Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-60.1-42.5172.600000112.9C415 I416 L417 S423C415-G419 WeakPolarHBondContact O-CA 3.23Å; C415-G419 PolarHBondContact O-N 3.48Å; I416-G419 PolarHBondContact O-N 3.13Å; L417-G419 VanDerWaalsContact C-N 3.32Å; L417-G419 PolarHBondContact O-N 2.93Å; G419-S423 WeakPolarHBondContact O-CB 3.41Å; G419-S423 PolarHBondContact O-N 3.23Å
420I95.6Very high93.8Very high8 Ų819.6 Ų19.64%0.04110%0.101CC..Hα-helixtrans-64.1-44.7174.1-71.9166000111.5T135 L138 K139 A143 I416 L417 S418 Q424T135-I420 HydrophobicContact CG2-CD1 4.46Å; T135-I420 HydrophobicContact CG2-CG1 4.07Å; L138-I420 HydrophobicContact CB-CD1 4.11Å; L138-I420 HydrophobicContact CD1-CD1 4.04Å; K139-I420 HydrophobicContact CD-CG2 4.2Å; A143-I420 HydrophobicContact CB-CG1 4.17Å; I416-I420 HydrophobicContact CG2-CD1 4.14Å; I416-I420 VanDerWaalsContact O-CG1 3.31Å; I416-I420 WeakPolarHBondContact O-CG1 3Å; I416-I420 PolarHBondContact O-N 2.84Å; L417-I420 HydrophobicContact CD2-CD1 4.45Å; L417-I420 PolarHBondContact O-N 3.01Å; S418-I420 PolarHBondContact O-N 3.28Å; I420-Q424 WeakPolarHBondContact O-CB 3.11Å; I420-Q424 PolarHBondContact O-N 3.15Å
421G94.9Very high93.2Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-61.2-54179.600000112L417 S418 S423 Q424 V425L417-G421 PolarHBondContact O-N 2.77Å; S418-G421 PolarHBondContact O-N 3.34Å; G421-S423 PolarHBondContact O-N 3.28Å; G421-Q424 PolarHBondContact O-N 3.16Å; G421-Q424 VanDerWaalsContact O-N 3.15Å; G421-V425 WeakPolarHBondContact O-CG2 2.81Å; G421-V425 PolarHBondContact O-N 2.82Å
422V95.1Very high92.6Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-65.2-40.8179.4175.90000111.6L146 M150 M370 S418 Q424 V425 L426 M464 L468L146-V422 HydrophobicContact CD2-CB 3.46Å; L146-V422 VanDerWaalsContact CD2-CB 3.46Å; L146-V422 HydrophobicContact CD2-CG1 3.37Å; M150-V422 HydrophobicContact CE-CB 4.35Å; M150-V422 HydrophobicContact CE-CG2 4.07Å; M370-V422 HydrophobicContact CB-CG2 4.37Å; M370-V422 HydrophobicContact CE-CG2 4.22Å; M370-V422 HydrophobicContact CG-CG2 3.73Å; M370-V422 HydrophobicContact SD-CG2 3.72Å; S418-V422 WeakPolarHBondContact O-CG2 3.18Å; S418-V422 PolarHBondContact O-N 3.1Å; V422-Q424 VanDerWaalsContact C-N 3.27Å; V422-Q424 PolarHBondContact O-N 3.31Å; V422-V425 PolarHBondContact O-N 3.08Å; V422-L426 HydrophobicContact CG1-CD1 3.75Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CB 3.38Å; V422-L426 WeakPolarHBondContact O-CG 3.22Å; V422-L426 PolarHBondContact O-N 2.95Å; V422-M464 HydrophobicContact CB-SD 4.32Å; V422-M464 HydrophobicContact CG1-CE 4.35Å; V422-M464 HydrophobicContact CG1-CG 3.73Å; V422-M464 HydrophobicContact CG1-SD 3.59Å; V422-M464 VanDerWaalsContact CG1-SD 3.59Å; V422-M464 HydrophobicContact CG2-CE 4.43Å; V422-M464 HydrophobicContact CG2-SD 3.9Å; V422-L468 HydrophobicContact CG1-CD1 4.48Å
423S95.2Very high91.7Very high6 Ų632.2 Ų32.24%0.04216%0.161CC..Hα-helixtrans-56.7-41.7172.7157.50000111.9K139 D140 G419 G421 T427K139-S423 PolarHBondContact NZ-OG 2.88Å; D140-S423 PolarHBondContact OD1-OG 3.17Å; G419-S423 WeakPolarHBondContact O-CB 3.41Å; G419-S423 PolarHBondContact O-N 3.23Å; G421-S423 PolarHBondContact O-N 3.28Å; S423-T427 VanDerWaalsContact O-CB 3.28Å; S423-T427 WeakPolarHBondContact O-CB 3.44Å; S423-T427 PolarHBondContact O-N 3.42Å; S423-T427 PolarHBondContact O-OG1 3.06Å
424Q92.8Very high90.3Very high51 Ų5137.5 Ų37.524%0.23819%0.189CC..Hα-helixtrans-69.4-40.2-179.3-171.1572600112.3Y377 I420 G421 V422 T427 T428Y377-Q424 HydrophobicContact CD1-CG 3.84Å; Y377-Q424 HydrophobicContact CD2-CB 3.88Å; Y377-Q424 HydrophobicContact CD2-CG 3.9Å; Y377-Q424 HydrophobicContact CE1-CB 4.45Å; Y377-Q424 HydrophobicContact CE1-CG 3.45Å; Y377-Q424 VanDerWaalsContact CE1-CG 3.45Å; Y377-Q424 HydrophobicContact CE2-CB 3.59Å; Y377-Q424 HydrophobicContact CE2-CG 3.48Å; Y377-Q424 VanDerWaalsContact CE2-CG 3.48Å; Y377-Q424 HydrophobicContact CG-CB 4.4Å; Y377-Q424 HydrophobicContact CG-CG 4.07Å; I420-Q424 WeakPolarHBondContact O-CB 3.11Å; I420-Q424 PolarHBondContact O-N 3.15Å; G421-Q424 PolarHBondContact O-N 3.16Å; G421-Q424 VanDerWaalsContact O-N 3.15Å; V422-Q424 VanDerWaalsContact C-N 3.27Å; V422-Q424 PolarHBondContact O-N 3.31Å; Q424-T427 PolarHBondContact O-N 3.35Å; Q424-T428 WeakPolarHBondContact O-CB 3.43Å; Q424-T428 PolarHBondContact O-N 3.42Å; Q424-T428 PolarHBondContact O-OG1 3.37Å
425V92Very high88.9Confident18 Ų1843.2 Ų43.211%0.10922%0.224CC..Hα-helixtrans-59.3-54.1173173.50000109.7G421 V422 T427 T428 Y429 M460 M464G421-V425 WeakPolarHBondContact O-CG2 2.81Å; G421-V425 PolarHBondContact O-N 2.82Å; V422-V425 PolarHBondContact O-N 3.08Å; V425-T427 PolarHBondContact O-N 2.93Å; V425-T428 PolarHBondContact O-N 3.47Å; V425-T428 VanDerWaalsContact O-N 3.12Å; V425-Y429 HydrophobicContact CG1-CD2 3.79Å; V425-Y429 HydrophobicContact CG1-CE2 3.94Å; V425-Y429 VanDerWaalsContact O-CD2 3.24Å; V425-Y429 WeakPolarHBondContact O-CD2 3.32Å; V425-Y429 PolarHBondContact O-N 3.46Å; V425-M460 HydrophobicContact CG1-CE 3.61Å; V425-M460 HydrophobicContact CG1-CG 4.22Å; V425-M464 HydrophobicContact CB-CE 4.12Å; V425-M464 HydrophobicContact CG1-CE 3.71Å; V425-M464 HydrophobicContact CG2-CE 4.45Å
426L91.6Very high87.1Confident41 Ų4146.7 Ų46.722%0.21525%0.248CC..Hα-helixtrans-56.2-48.2178.5-75.3161.5000111.9V422 T428 Y429 M430 M464V422-L426 HydrophobicContact CG1-CD1 3.75Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CB 3.38Å; V422-L426 WeakPolarHBondContact O-CG 3.22Å; V422-L426 PolarHBondContact O-N 2.95Å; L426-T428 VanDerWaalsContact C-N 3.25Å; L426-T428 PolarHBondContact O-N 3.35Å; L426-Y429 PolarHBondContact O-N 3.44Å; L426-M430 HydrophobicContact CB-SD 4.39Å; L426-M430 HydrophobicContact CD2-SD 4.36Å; L426-M430 WeakPolarHBondContact O-CB 3.29Å; L426-M430 WeakPolarHBondContact O-CG 3.36Å; L426-M430 PolarHBondContact O-N 2.94Å; L426-M464 HydrophobicContact CD2-CG 4.43Å; L426-M464 HydrophobicContact CG-CG 4.38Å
427T90.6Very high85.1Confident44 Ų4455.7 Ų55.727%0.2728%0.282SS..Hα-helixtrans-61.9-34180-58.80000112.5S423 Q424 V425 K431S423-T427 VanDerWaalsContact O-CB 3.28Å; S423-T427 WeakPolarHBondContact O-CB 3.44Å; S423-T427 PolarHBondContact O-N 3.42Å; S423-T427 PolarHBondContact O-OG1 3.06Å; Q424-T427 PolarHBondContact O-N 3.35Å; V425-T427 PolarHBondContact O-N 2.93Å; T427-K431 HydrophobicContact CG2-CD 4.43Å; T427-K431 WeakPolarHBondContact O-CD 3.17Å; T427-K431 VanDerWaalsContact O-CG 3.26Å; T427-K431 WeakPolarHBondContact O-CG 3.26Å
428T89.1Confident82.7Confident58 Ų5861.4 Ų61.436%0.35632%0.32SS..Hα-helixtrans-74.1-46.8-179-55.70000111Q424 V425 L426 N432Q424-T428 WeakPolarHBondContact O-CB 3.43Å; Q424-T428 PolarHBondContact O-N 3.42Å; Q424-T428 PolarHBondContact O-OG1 3.37Å; V425-T428 PolarHBondContact O-N 3.47Å; V425-T428 VanDerWaalsContact O-N 3.12Å; L426-T428 VanDerWaalsContact C-N 3.25Å; L426-T428 PolarHBondContact O-N 3.35Å; T428-N432 PolarHBondContact O-ND2 2.6Å
429Y87.9Confident80.2Confident75 Ų7568.6 Ų68.629%0.29436%0.358SS..Hα-helixtrans-79.6-36.8-178-69.9-77.5000112.9V425 L426 K431 N432 L433 V456 A457 M460V425-Y429 HydrophobicContact CG1-CD2 3.79Å; V425-Y429 HydrophobicContact CG1-CE2 3.94Å; V425-Y429 VanDerWaalsContact O-CD2 3.24Å; V425-Y429 WeakPolarHBondContact O-CD2 3.32Å; V425-Y429 PolarHBondContact O-N 3.46Å; L426-Y429 PolarHBondContact O-N 3.44Å; Y429-K431 PolarHBondContact O-N 2.8Å; Y429-N432 WeakPolarHBondContact O-CB 3.45Å; Y429-N432 PolarHBondContact O-N 2.85Å; Y429-L433 WeakPolarHBondContact O-CD1 3.34Å; Y429-V456 HydrophobicContact CE1-CG1 4.5Å; Y429-A457 HydrophobicContact CD1-CB 4.14Å; Y429-A457 WeakPolarHBondContact O-CB 3.45Å; Y429-M460 HydrophobicContact CD1-CB 4.11Å; Y429-M460 HydrophobicContact CD1-CG 4.35Å; Y429-M460 HydrophobicContact CD2-CB 4.17Å; Y429-M460 HydrophobicContact CD2-CG 3.6Å; Y429-M460 HydrophobicContact CE1-CB 4.29Å; Y429-M460 HydrophobicContact CE1-CG 4.34Å; Y429-M460 HydrophobicContact CE2-CB 4.4Å; Y429-M460 HydrophobicContact CE2-CG 3.63Å; Y429-M460 HydrophobicContact CG-CB 4.03Å; Y429-M460 HydrophobicContact CG-CG 4Å
430M86.3Confident77.6Confident100 Ų10076.1 Ų76.149%0.49339%0.391SS..Hα-helixtrans-64.8-24.6178.2-69.6-17782.300113.8L426 N432 S436 I461L426-M430 HydrophobicContact CB-SD 4.39Å; L426-M430 HydrophobicContact CD2-SD 4.36Å; L426-M430 WeakPolarHBondContact O-CB 3.29Å; L426-M430 WeakPolarHBondContact O-CG 3.36Å; L426-M430 PolarHBondContact O-N 2.94Å; M430-N432 VanDerWaalsContact C-N 3.3Å; M430-S436 PolarHBondContact O-OG 3.24Å; M430-I461 HydrophobicContact CB-CD1 4.48Å; M430-I461 HydrophobicContact CG-CD1 3.62Å; M430-I461 HydrophobicContact CG-CG1 4.11Å
431K83.3Confident74.9Confident148 Ų14884.2 Ų84.264%0.64343%0.434SS*.THydrogen-bonded Turntrans-73.7-21.7173.3-77.4176.6-175.9174.80113.4T427 Y429 L433T427-K431 HydrophobicContact CG2-CD 4.43Å; T427-K431 WeakPolarHBondContact O-CD 3.17Å; T427-K431 VanDerWaalsContact O-CG 3.26Å; T427-K431 WeakPolarHBondContact O-CG 3.26Å; Y429-K431 PolarHBondContact O-N 2.8Å; K431-L433 VanDerWaalsContact C-N 3.3Å
432N81.3Confident72.2Confident74 Ų7492.9 Ų92.940%0.39647%0.472SS..THydrogen-bonded Turntrans-85.3-4.4-179.9-63.8-19.1000112.5T428 Y429 M430 A457T428-N432 PolarHBondContact O-ND2 2.6Å; Y429-N432 WeakPolarHBondContact O-CB 3.45Å; Y429-N432 PolarHBondContact O-N 2.85Å; M430-N432 VanDerWaalsContact C-N 3.3Å; N432-A457 HydrophobicContact CB-CB 4.04Å
433L77.5Confident69.5Low44 Ų44103 Ų10323%0.2352%0.516CS..  trans-77.7128174.3-87.385.7000111.7Y429 K431 V435 S436 N454 A457 I461Y429-L433 WeakPolarHBondContact O-CD1 3.34Å; K431-L433 VanDerWaalsContact C-N 3.3Å; L433-V435 PolarHBondContact O-N 3.4Å; L433-S436 WeakPolarHBondContact O-CB 3.19Å; L433-S436 PolarHBondContact O-N 3.39Å; L433-N454 WeakPolarHBondContact CA-OD1 3.48Å; L433-A457 HydrophobicContact CD1-CB 3.8Å; L433-I461 HydrophobicContact CD1-CD1 3.42Å; L433-I461 VanDerWaalsContact CD1-CD1 3.42Å; L433-I461 HydrophobicContact CD2-CD1 4.5Å
434D66.3Low67Low111 Ų111110.5 Ų110.559%0.59455%0.547SS*.G310 helixtrans-59.7-28177.3-71.2-28.7000112.6S436 N454D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.33Å; D434-N454 WeakPolarHBondContact CB-ND2 2.93Å; D434-N454 PolarHBondContact OD2-ND2 2.84Å
435V65.1Low64.4Low130 Ų130117.2 Ų117.279%0.78858%0.579SS**G310 helixtrans-69.5-20.9177.7-175.20000112.6L433 R437L433-V435 PolarHBondContact O-N 3.4Å; V435-R437 PolarHBondContact O-N 3.2Å
436S59.9Low62Low72 Ų72123.8 Ų123.850%0.50361%0.609SS.*G310 helixtrans-73.4-11.7-174.7-155.30000113.4M430 L433 D434M430-S436 PolarHBondContact O-OG 3.24Å; L433-S436 WeakPolarHBondContact O-CB 3.19Å; L433-S436 PolarHBondContact O-N 3.39Å; D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.33Å
437R54.8Low59.6Low189 Ų189128 Ų12871%0.71363%0.631SS**  trans-136.593.2176.9-72.2-173.8175.6177.31.6112.2V435 D439V435-R437 PolarHBondContact O-N 3.2Å; R437-D439 PolarHBondContact O-N 3.19Å
438P46.1Very low57.5Low121 Ų121131.3 Ų131.379%0.78666%0.656SS**THydrogen-bonded Turntrans-71-10.8175.824.3-30.1000114.9
439D43.4Very low55.7Low150 Ų150133.9 Ų133.980%0.80267%0.672SS**THydrogen-bonded Turntrans-130.431.3-162.9-94.6-30.8000117.8R437R437-D439 PolarHBondContact O-N 3.19Å
440K41.3Very low54Low159 Ų159138.2 Ų138.269%0.69169%0.689SS**  trans-127.783.6166-78-170.9178.21770113.4K442K440-K442 PolarHBondContact O-N 3.16Å
441N38.7Very low52.4Low178 Ų178139.1 Ų139.195%0.95270%0.702SS**  trans-61.874.6151.7-90-20.3000110.6
442K38.6Very low51.3Low182 Ų182136.7 Ų136.779%0.79170%0.695SS**  trans-118.2119.5156.9-81.4-167.7175.4-172.40108K440 K444K440-K442 PolarHBondContact O-N 3.16Å; K442-K444 PolarHBondContact O-N 2.92Å
443K38.5Very low50.8Low212 Ų212138.3 Ų138.392%0.92270%0.699SS**  trans-33.3120.2180-74.8175172.5178.10111.9Q445K443-Q445 PolarHBondContact O-N 2.89Å; K443-Q445 VanDerWaalsContact O-N 3.12Å
444K41.3Very low50.8Low163 Ų163138.8 Ų138.871%0.70970%0.701SS**  trans-56.9108.6170.7-77.8177.9172.4179.40109.3K442 Q446K442-K444 PolarHBondContact O-N 2.92Å; K444-Q446 PolarHBondContact O-N 2.99Å
445Q38.6Very low51.6Low192 Ų192140.5 Ų140.590%0.89771%0.706SS**  trans-79.6101.3142.6-114.6173-12.600104.8K443 D447K443-Q445 PolarHBondContact O-N 2.89Å; K443-Q445 VanDerWaalsContact O-N 3.12Å; Q445-D447 PolarHBondContact O-N 3.18Å
446Q41.7Very low52.7Low157 Ų157138.2 Ų138.273%0.73469%0.692SS**  trans-81.698.7-178.1-160.1170.62.100106.5K444 S448K444-Q446 PolarHBondContact O-N 2.99Å; Q446-S448 PolarHBondContact O-N 2.95Å; Q446-S448 VanDerWaalsContact O-N 3.08Å
447D41Very low53.9Low128 Ų128134.8 Ų134.868%0.68467%0.668SS**  trans-56.6114.3170-82-26.2000108.5Q445 T449Q445-D447 PolarHBondContact O-N 3.18Å; D447-T449 PolarHBondContact O-N 3.01Å
448S46.5Very low55.4Low115 Ų115128.3 Ų128.380%0.80465%0.652SS**THydrogen-bonded Turntrans-72.21.2-169.672.70000114.6Q446Q446-S448 PolarHBondContact O-N 2.95Å; Q446-S448 VanDerWaalsContact O-N 3.08Å
449T51.2Low57.6Low111 Ų111124 Ų12468%0.68163%0.63SS**THydrogen-bonded Turntrans-94.7-11.2-171.8-34.10000113.9D447D447-T449 PolarHBondContact O-N 3.01Å
450Y52.4Low59.8Low166 Ų166119.6 Ų119.665%0.65161%0.605SS**  trans-14673.8-177.1-81.2-86.9000113.5I452Y450-I452 VanDerWaalsContact C-N 3.32Å; Y450-I452 PolarHBondContact O-N 3.4Å
451P53.2Low62.2Low119 Ų119114 Ų11477%0.77358%0.582SS**THydrogen-bonded Turntrans-73.1-14.3-179.425.6-31.4000115.2
452I60.1Low64.8Low98 Ų98111.2 Ų111.250%0.50357%0.567SS.*THydrogen-bonded Turntrans-99.914.1-173.1-38.2178.6000112.7Y450 N454 E455 V456Y450-I452 VanDerWaalsContact C-N 3.32Å; Y450-I452 PolarHBondContact O-N 3.4Å; I452-N454 VanDerWaalsContact C-N 3.25Å; I452-N454 PolarHBondContact O-N 2.97Å; I452-N454 VanDerWaalsContact O-N 3.15Å; I452-E455 HydrophobicContact CG2-CB 3.94Å; I452-E455 PolarHBondContact O-N 3.39Å; I452-V456 HydrophobicContact CB-CG2 4.23Å; I452-V456 HydrophobicContact CG2-CG2 3.87Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.28Å; I452-V456 WeakPolarHBondContact O-CG2 3.32Å; I452-V456 PolarHBondContact O-N 3.09Å
453K70.9Confident67.5Low108 Ų108105.8 Ų105.847%0.4755%0.549SS..Hα-helixtrans-56.8-36.2-174.6-72.9-175.6-171.6-179.10113.8A457K453-A457 VanDerWaalsContact O-CB 3.24Å; K453-A457 WeakPolarHBondContact O-CB 3.29Å; K453-A457 PolarHBondContact O-N 3.33Å; K453-A457 VanDerWaalsContact O-N 3.13Å
454N78.3Confident70.1Confident53 Ų5395.9 Ų95.928%0.28351%0.506SS..Hα-helixtrans-78.5-42.5-174-156.32.6000111.7L433 D434 I452 A457 S458L433-N454 WeakPolarHBondContact CA-OD1 3.48Å; D434-N454 WeakPolarHBondContact CB-ND2 2.93Å; D434-N454 PolarHBondContact OD2-ND2 2.84Å; I452-N454 VanDerWaalsContact C-N 3.25Å; I452-N454 PolarHBondContact O-N 2.97Å; I452-N454 VanDerWaalsContact O-N 3.15Å; N454-A457 PolarHBondContact O-N 2.87Å; N454-S458 PolarHBondContact O-N 3.03Å
455E82.8Confident72.6Confident148 Ų14890 Ų9069%0.69249%0.488SS*.Hα-helixtrans-68.7-41175.7-64.6-178.7172.700112.1I452 A457 S458 G459I452-E455 HydrophobicContact CG2-CB 3.94Å; I452-E455 PolarHBondContact O-N 3.39Å; E455-A457 VanDerWaalsContact C-N 3.31Å; E455-A457 PolarHBondContact O-N 2.93Å; E455-S458 PolarHBondContact O-N 3.16Å; E455-G459 PolarHBondContact O-N 2.77Å
456V86.9Confident75.3Confident81 Ų8187.2 Ų87.249%0.49147%0.473SS..Hα-helixtrans-62.1-39.8174.4172.80000111.1Y429 I452 G459 M460Y429-V456 HydrophobicContact CE1-CG1 4.5Å; I452-V456 HydrophobicContact CB-CG2 4.23Å; I452-V456 HydrophobicContact CG2-CG2 3.87Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.28Å; I452-V456 WeakPolarHBondContact O-CG2 3.32Å; I452-V456 PolarHBondContact O-N 3.09Å; V456-G459 PolarHBondContact O-N 3.03Å; V456-M460 WeakPolarHBondContact O-CB 3.41Å; V456-M460 PolarHBondContact O-N 2.53Å
457A85.3Confident77.9Confident1 Ų183.7 Ų83.71%0.00846%0.455CS..Hα-helixtrans-65.5-43.8176.600000112.4Y429 N432 L433 K453 N454 E455 M460 I461Y429-A457 HydrophobicContact CD1-CB 4.14Å; Y429-A457 WeakPolarHBondContact O-CB 3.45Å; N432-A457 HydrophobicContact CB-CB 4.04Å; L433-A457 HydrophobicContact CD1-CB 3.8Å; K453-A457 VanDerWaalsContact O-CB 3.24Å; K453-A457 WeakPolarHBondContact O-CB 3.29Å; K453-A457 PolarHBondContact O-N 3.33Å; K453-A457 VanDerWaalsContact O-N 3.13Å; N454-A457 PolarHBondContact O-N 2.87Å; E455-A457 VanDerWaalsContact C-N 3.31Å; E455-A457 PolarHBondContact O-N 2.93Å; A457-M460 PolarHBondContact O-N 3.47Å; A457-I461 WeakPolarHBondContact O-CD1 3.24Å; A457-I461 VanDerWaalsContact O-CG1 3.28Å; A457-I461 WeakPolarHBondContact O-CG1 3.32Å; A457-I461 PolarHBondContact O-N 2.68Å; A457-I461 VanDerWaalsContact O-N 3.08Å
458S87.1Confident80.4Confident52 Ų5279.5 Ų79.536%0.36443%0.432SS..Hα-helixtrans-61-46.2174.5-171.40000111.7N454 E455 M460 I461 L462N454-S458 PolarHBondContact O-N 3.03Å; E455-S458 PolarHBondContact O-N 3.16Å; S458-M460 PolarHBondContact O-N 2.7Å; S458-I461 PolarHBondContact O-N 3.21Å; S458-L462 PolarHBondContact O-N 3.09Å
459G91.2Very high82.8Confident31 Ų3178.5 Ų78.532%0.3242%0.417SS..Hα-helixtrans-58-45.1175.900000112.5E455 V456 I461 L462 V463E455-G459 PolarHBondContact O-N 2.77Å; V456-G459 PolarHBondContact O-N 3.03Å; G459-I461 PolarHBondContact O-N 2.64Å; G459-L462 PolarHBondContact O-N 3.14Å; G459-V463 VanDerWaalsContact O-CG2 3.29Å; G459-V463 WeakPolarHBondContact O-CG2 3.08Å; G459-V463 PolarHBondContact O-N 3.01Å
460M90.7Very high84.9Confident57 Ų5775.4 Ų75.428%0.28140%0.398SS..Hα-helixtrans-66-35.9178.9-169.761.8-175.600113V425 Y429 V456 A457 S458 V463 M464V425-M460 HydrophobicContact CG1-CE 3.61Å; V425-M460 HydrophobicContact CG1-CG 4.22Å; Y429-M460 HydrophobicContact CD1-CB 4.11Å; Y429-M460 HydrophobicContact CD1-CG 4.35Å; Y429-M460 HydrophobicContact CD2-CB 4.17Å; Y429-M460 HydrophobicContact CD2-CG 3.6Å; Y429-M460 HydrophobicContact CE1-CB 4.29Å; Y429-M460 HydrophobicContact CE1-CG 4.34Å; Y429-M460 HydrophobicContact CE2-CB 4.4Å; Y429-M460 HydrophobicContact CE2-CG 3.63Å; Y429-M460 HydrophobicContact CG-CB 4.03Å; Y429-M460 HydrophobicContact CG-CG 4Å; V456-M460 WeakPolarHBondContact O-CB 3.41Å; V456-M460 PolarHBondContact O-N 2.53Å; A457-M460 PolarHBondContact O-N 3.47Å; S458-M460 PolarHBondContact O-N 2.7Å; M460-V463 PolarHBondContact O-N 2.99Å; M460-M464 HydrophobicContact CE-CE 4.19Å; M460-M464 WeakPolarHBondContact O-CB 3.48Å; M460-M464 PolarHBondContact O-N 2.96Å
461I91.3Very high87Confident41 Ų4167.7 Ų67.721%0.2137%0.368CS..Hα-helixtrans-65.3-44.3175.2-67.8163.1000110.4M430 L433 A457 S458 G459 M464 A465M430-I461 HydrophobicContact CB-CD1 4.48Å; M430-I461 HydrophobicContact CG-CD1 3.62Å; M430-I461 HydrophobicContact CG-CG1 4.11Å; L433-I461 HydrophobicContact CD1-CD1 3.42Å; L433-I461 VanDerWaalsContact CD1-CD1 3.42Å; L433-I461 HydrophobicContact CD2-CD1 4.5Å; A457-I461 WeakPolarHBondContact O-CD1 3.24Å; A457-I461 VanDerWaalsContact O-CG1 3.28Å; A457-I461 WeakPolarHBondContact O-CG1 3.32Å; A457-I461 PolarHBondContact O-N 2.68Å; A457-I461 VanDerWaalsContact O-N 3.08Å; S458-I461 PolarHBondContact O-N 3.21Å; G459-I461 PolarHBondContact O-N 2.64Å; I461-M464 PolarHBondContact O-N 3.39Å; I461-A465 WeakPolarHBondContact O-CB 3.39Å; I461-A465 PolarHBondContact O-N 3.33Å
462L93.1Very high89Confident121 Ų12165 Ų6563%0.63435%0.35SS*.Hα-helixtrans-62.6-43.2176.5-75.3170.9000112S458 G459 M464 A465 F466S458-L462 PolarHBondContact O-N 3.09Å; G459-L462 PolarHBondContact O-N 3.14Å; L462-M464 PolarHBondContact O-N 3.44Å; L462-A465 PolarHBondContact O-N 3.33Å; L462-F466 WeakPolarHBondContact O-CB 3.5Å; L462-F466 PolarHBondContact O-N 3.13Å
463V94.6Very high90.7Very high68 Ų6867.5 Ų67.541%0.41236%0.357SS..Hα-helixtrans-60.2-46.5175.5169.20000110.7G459 M460 A465 F466 F467G459-V463 VanDerWaalsContact O-CG2 3.29Å; G459-V463 WeakPolarHBondContact O-CG2 3.08Å; G459-V463 PolarHBondContact O-N 3.01Å; M460-V463 PolarHBondContact O-N 2.99Å; V463-A465 PolarHBondContact O-N 3.41Å; V463-F466 WeakPolarHBondContact O-CB 3.14Å; V463-F466 PolarHBondContact O-N 3.44Å; V463-F467 HydrophobicContact CG1-CD2 3.72Å; V463-F467 HydrophobicContact CG1-CE2 3.5Å; V463-F467 VanDerWaalsContact CG1-CE2 3.5Å; V463-F467 WeakPolarHBondContact O-CD2 3.43Å; V463-F467 PolarHBondContact O-N 3.21Å
464M93.8Very high91.9Very high4 Ų464 Ų642%0.0234%0.342CS..Hα-helixtrans-64.5-40178.6-169.159.568.300112.3M370 V422 V425 L426 M460 I461 L462 F467 L468M370-M464 HydrophobicContact CE-CE 3.71Å; M370-M464 HydrophobicContact CE-SD 3.96Å; V422-M464 HydrophobicContact CB-SD 4.32Å; V422-M464 HydrophobicContact CG1-CE 4.35Å; V422-M464 HydrophobicContact CG1-CG 3.73Å; V422-M464 HydrophobicContact CG1-SD 3.59Å; V422-M464 VanDerWaalsContact CG1-SD 3.59Å; V422-M464 HydrophobicContact CG2-CE 4.43Å; V422-M464 HydrophobicContact CG2-SD 3.9Å; V425-M464 HydrophobicContact CB-CE 4.12Å; V425-M464 HydrophobicContact CG1-CE 3.71Å; V425-M464 HydrophobicContact CG2-CE 4.45Å; L426-M464 HydrophobicContact CD2-CG 4.43Å; L426-M464 HydrophobicContact CG-CG 4.38Å; M460-M464 HydrophobicContact CE-CE 4.19Å; M460-M464 WeakPolarHBondContact O-CB 3.48Å; M460-M464 PolarHBondContact O-N 2.96Å; I461-M464 PolarHBondContact O-N 3.39Å; L462-M464 PolarHBondContact O-N 3.44Å; M464-F467 PolarHBondContact O-N 3.38Å; M464-L468 HydrophobicContact CG-CD1 4.2Å; M464-L468 WeakPolarHBondContact O-CD1 3.49Å; M464-L468 WeakPolarHBondContact O-CG 3.47Å; M464-L468 PolarHBondContact O-N 2.89Å
465A94.2Very high92.7Very high40 Ų4061.5 Ų61.533%0.33133%0.329SS..Hα-helixtrans-62.2-43.2174.600000111.5I461 L462 V463 F467 L468 I469I461-A465 WeakPolarHBondContact O-CB 3.39Å; I461-A465 PolarHBondContact O-N 3.33Å; L462-A465 PolarHBondContact O-N 3.33Å; V463-A465 PolarHBondContact O-N 3.41Å; A465-F467 PolarHBondContact O-N 3.15Å; A465-L468 PolarHBondContact O-N 3.06Å; A465-I469 WeakPolarHBondContact O-CD1 3.46Å; A465-I469 VanDerWaalsContact O-CG1 3.24Å; A465-I469 WeakPolarHBondContact O-CG1 3.46Å; A465-I469 PolarHBondContact O-N 3.18Å
466F95.8Very high93.2Very high133 Ų13357 Ų5758%0.58331%0.311SS*.Hα-helixtrans-59.3-43.8175.5175.6-98.9000112.3L462 V463 I469 T470L462-F466 WeakPolarHBondContact O-CB 3.5Å; L462-F466 PolarHBondContact O-N 3.13Å; V463-F466 WeakPolarHBondContact O-CB 3.14Å; V463-F466 PolarHBondContact O-N 3.44Å; F466-I469 PolarHBondContact O-N 3Å; F466-T470 WeakPolarHBondContact O-CB 3.18Å; F466-T470 PolarHBondContact O-N 3.45Å; F466-T470 PolarHBondContact O-OG1 3.17Å
467F95.3Very high93.6Very high83 Ų8360.1 Ų60.136%0.36432%0.315SS..Hα-helixtrans-62.7-42.8175.4-82.7-66.2000112.7L366 V463 M464 A465 T470 Y471L366-F467 HydrophobicContact CD1-CB 3.96Å; L366-F467 HydrophobicContact CD1-CD1 3.99Å; L366-F467 HydrophobicContact CD1-CG 4.12Å; L366-F467 HydrophobicContact CD2-CB 4.09Å; V463-F467 HydrophobicContact CG1-CD2 3.72Å; V463-F467 HydrophobicContact CG1-CE2 3.5Å; V463-F467 VanDerWaalsContact CG1-CE2 3.5Å; V463-F467 WeakPolarHBondContact O-CD2 3.43Å; V463-F467 PolarHBondContact O-N 3.21Å; M464-F467 PolarHBondContact O-N 3.38Å; A465-F467 PolarHBondContact O-N 3.15Å; F467-T470 PolarHBondContact O-N 3.38Å; F467-Y471 WeakPolarHBondContact O-CB 3.31Å; F467-Y471 PolarHBondContact O-N 3.2Å
468L94.8Very high94Very high40 Ų4060.1 Ų60.121%0.20931%0.314CS..Hα-helixtrans-65.1-39.6177.9-74160.4000112.4L146 M150 L366 V422 M464 A465 T472L146-L468 HydrophobicContact CD1-CD2 4.17Å; M150-L468 HydrophobicContact CE-CD2 3.65Å; L366-L468 HydrophobicContact CD2-CD2 4.42Å; V422-L468 HydrophobicContact CG1-CD1 4.48Å; M464-L468 HydrophobicContact CG-CD1 4.2Å; M464-L468 WeakPolarHBondContact O-CD1 3.49Å; M464-L468 WeakPolarHBondContact O-CG 3.47Å; M464-L468 PolarHBondContact O-N 2.89Å; A465-L468 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-N 2.96Å; L468-T472 VanDerWaalsContact O-N 3.1Å; L468-T472 PolarHBondContact O-OG1 3.33Å
469I95.5Very high94.3Very high93 Ų9357.7 Ų57.748%0.47730%0.297SS..Hα-helixtrans-66.2-47.1176.2-67.3163.6000109.9A465 F466 Y471 T472 F473A465-I469 WeakPolarHBondContact O-CD1 3.46Å; A465-I469 VanDerWaalsContact O-CG1 3.24Å; A465-I469 WeakPolarHBondContact O-CG1 3.46Å; A465-I469 PolarHBondContact O-N 3.18Å; F466-I469 PolarHBondContact O-N 3Å; I469-Y471 VanDerWaalsContact C-N 3.32Å; I469-Y471 PolarHBondContact O-N 3.23Å; I469-T472 WeakPolarHBondContact O-CB 3.33Å; I469-T472 PolarHBondContact O-N 2.78Å; I469-T472 VanDerWaalsContact O-N 3.1Å; I469-F473 HydrophobicContact CG2-CD2 3.73Å; I469-F473 HydrophobicContact CG2-CE2 3.48Å; I469-F473 VanDerWaalsContact CG2-CE2 3.48Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.29Å; I469-F473 PolarHBondContact O-N 3.28Å
470T96.3Very high94.2Very high47 Ų4757.1 Ų57.129%0.28829%0.289SS..Hα-helixtrans-60.5-42177.3-57.40000111.7F466 F467 T472 F473 H474F466-T470 WeakPolarHBondContact O-CB 3.18Å; F466-T470 PolarHBondContact O-N 3.45Å; F466-T470 PolarHBondContact O-OG1 3.17Å; F467-T470 PolarHBondContact O-N 3.38Å; T470-T472 VanDerWaalsContact C-N 3.29Å; T470-T472 PolarHBondContact O-N 3.09Å; T470-F473 PolarHBondContact O-N 3.26Å; T470-H474 WeakPolarHBondContact O-CB 3.37Å; T470-H474 PolarHBondContact O-N 3.3Å
471Y95.6Very high94Very high4 Ų458.4 Ų58.42%0.01629%0.294CS..Hα-helixtrans-58.6-40.3174.2170.9-109.4000112.2M150 V153 V154 Q365 L366 L367 F467 I469 S475M150-Y471 HydrophobicContact CG-CE1 4.39Å; M150-Y471 PolarHBondContact O-OH 2.93Å; M150-Y471 VanDerWaalsContact O-OH 3.13Å; V153-Y471 HydrophobicContact CG2-CD1 4.38Å; V153-Y471 HydrophobicContact CG2-CE1 3.57Å; V154-Y471 WeakPolarHBondContact CA-OH 3.45Å; Q365-Y471 HydrophobicContact CB-CD2 4.33Å; L366-Y471 HydrophobicContact CB-CD2 4.05Å; L366-Y471 HydrophobicContact CB-CG 4.24Å; L367-Y471 HydrophobicContact CD1-CD2 3.98Å; L367-Y471 HydrophobicContact CD1-CE1 4.14Å; L367-Y471 HydrophobicContact CD1-CE2 3.35Å; L367-Y471 VanDerWaalsContact CD1-CZ 3.44Å; F467-Y471 WeakPolarHBondContact O-CB 3.31Å; F467-Y471 PolarHBondContact O-N 3.2Å; I469-Y471 VanDerWaalsContact C-N 3.32Å; I469-Y471 PolarHBondContact O-N 3.23Å; Y471-S475 WeakPolarHBondContact CE2-OG 3.4Å; Y471-S475 VanDerWaalsContact O-CB 3.29Å; Y471-S475 WeakPolarHBondContact O-CB 3.26Å; Y471-S475 PolarHBondContact O-N 2.81Å; Y471-S475 PolarHBondContact O-OG 3.32Å
472T95.5Very high93.8Very high63 Ų6358.7 Ų58.739%0.38730%0.303SS..Hα-helixtrans-66.5-43.1178.1-53.70000111.5L468 I469 T470 S475 T476L468-T472 PolarHBondContact O-N 2.96Å; L468-T472 VanDerWaalsContact O-N 3.1Å; L468-T472 PolarHBondContact O-OG1 3.33Å; I469-T472 WeakPolarHBondContact O-CB 3.33Å; I469-T472 PolarHBondContact O-N 2.78Å; I469-T472 VanDerWaalsContact O-N 3.1Å; T470-T472 VanDerWaalsContact C-N 3.29Å; T470-T472 PolarHBondContact O-N 3.09Å; T472-S475 PolarHBondContact O-N 3.47Å; T472-T476 WeakPolarHBondContact O-CB 3.25Å; T472-T476 PolarHBondContact O-N 3.13Å; T472-T476 PolarHBondContact O-OG1 3.45Å
473F95.8Very high93.6Very high150 Ų15055.9 Ų55.966%0.65828%0.284SS*.Hα-helixtrans-63.5-47.1175.1-79.9-67.5000112.3I469 T470 S475 T476 W477I469-F473 HydrophobicContact CG2-CD2 3.73Å; I469-F473 HydrophobicContact CG2-CE2 3.48Å; I469-F473 VanDerWaalsContact CG2-CE2 3.48Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.29Å; I469-F473 PolarHBondContact O-N 3.28Å; T470-F473 PolarHBondContact O-N 3.26Å; F473-S475 VanDerWaalsContact C-N 3.35Å; F473-S475 PolarHBondContact O-N 2.99Å; F473-T476 PolarHBondContact O-N 3.49Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.44Å
474H96.1Very high93.1Very high34 Ų3452.8 Ų52.816%0.15727%0.265CS..Hα-helixtrans-56.2-50.2175.6176.282.1000111.1F362 Q365 T470 T476 W477 V478F362-H474 PolarHBondContact O-NE2 3.37Å; Q365-H474 HydrophobicContact CG-CB 4.29Å; T470-H474 WeakPolarHBondContact O-CB 3.37Å; T470-H474 PolarHBondContact O-N 3.3Å; H474-T476 VanDerWaalsContact C-N 3.3Å; H474-T476 PolarHBondContact O-N 2.92Å; H474-W477 PolarHBondContact O-N 3.02Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.38Å; H474-V478 WeakPolarHBondContact O-CG2 3.34Å; H474-V478 PolarHBondContact O-N 2.83Å
475S94.8Very high92.3Very high1 Ų156 Ų561%0.00729%0.288CS..Hα-helixtrans-61.2-39.8-178.1-60.20000112.7V153 Y471 T472 F473 T479V153-S475 VanDerWaalsContact O-CB 3.26Å; V153-S475 WeakPolarHBondContact O-CB 3.49Å; Y471-S475 WeakPolarHBondContact CE2-OG 3.4Å; Y471-S475 VanDerWaalsContact O-CB 3.29Å; Y471-S475 WeakPolarHBondContact O-CB 3.26Å; Y471-S475 PolarHBondContact O-N 2.81Å; Y471-S475 PolarHBondContact O-OG 3.32Å; T472-S475 PolarHBondContact O-N 3.47Å; F473-S475 VanDerWaalsContact C-N 3.35Å; F473-S475 PolarHBondContact O-N 2.99Å; S475-T479 WeakPolarHBondContact O-CB 3.35Å; S475-T479 PolarHBondContact O-N 2.78Å; S475-T479 PolarHBondContact O-OG1 3.13Å
476T93.9Very high91.6Very high53 Ų5354.3 Ų54.333%0.32527%0.274SS..Hα-helixtrans-67.5-44176.7-54.70000111.2F36 T472 F473 H474 T479 S480F36-T476 HydrophobicContact CZ-CG2 4.24Å; T472-T476 WeakPolarHBondContact O-CB 3.25Å; T472-T476 PolarHBondContact O-N 3.13Å; T472-T476 PolarHBondContact O-OG1 3.45Å; F473-T476 PolarHBondContact O-N 3.49Å; H474-T476 VanDerWaalsContact C-N 3.3Å; H474-T476 PolarHBondContact O-N 2.92Å; T476-T479 PolarHBondContact O-N 3.11Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 3.44Å
477W94.9Very high90.8Very high147 Ų14749.7 Ų49.756%0.55726%0.258SS*.Hα-helixtrans-63.5-48178.4175.180.6000112.1F362 F473 H474 T479 S480 E481F362-W477 HydrophobicContact CE2-CH2 4.31Å; F362-W477 AromaticContact CE2-CZ3 3.81Å; F362-W477 HydrophobicContact CE2-CZ3 3.81Å; F362-W477 HydrophobicContact CZ-CZ3 4.49Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.44Å; H474-W477 PolarHBondContact O-N 3.02Å; W477-T479 VanDerWaalsContact C-N 3.34Å; W477-T479 PolarHBondContact O-N 2.91Å; W477-S480 PolarHBondContact O-N 3.39Å; W477-E481 PolarHBondContact O-N 2.98Å
478V94.9Very high90.1Very high0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-59.5-46.1177.2170.80000110.8P155 F362 H474 S480 A482 Y483P155-V478 HydrophobicContact CB-CB 4.34Å; P155-V478 HydrophobicContact CB-CG1 3.76Å; P155-V478 HydrophobicContact CG-CB 4.26Å; P155-V478 HydrophobicContact CG-CG1 4.23Å; F362-V478 HydrophobicContact CD1-CG1 4.07Å; F362-V478 HydrophobicContact CD2-CG2 4.28Å; F362-V478 HydrophobicContact CE1-CB 4.46Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.27Å; F362-V478 HydrophobicContact CE2-CG1 4.45Å; F362-V478 HydrophobicContact CE2-CG2 3.88Å; F362-V478 HydrophobicContact CZ-CB 4.27Å; F362-V478 HydrophobicContact CZ-CG1 3.64Å; F362-V478 HydrophobicContact CZ-CG2 3.87Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.38Å; H474-V478 WeakPolarHBondContact O-CG2 3.34Å; H474-V478 PolarHBondContact O-N 2.83Å; V478-S480 PolarHBondContact O-N 3.47Å; V478-A482 HydrophobicContact CG1-CB 4.49Å; V478-A482 WeakPolarHBondContact O-CB 3.43Å; V478-A482 PolarHBondContact O-N 3.16Å; V478-Y483 HydrophobicContact CG1-CD2 3.74Å; V478-Y483 HydrophobicContact CG1-CE2 3.44Å; V478-Y483 VanDerWaalsContact CG1-CE2 3.44Å; V478-Y483 PolarHBondContact O-N 3.33Å
479T92.9Very high89.5Confident2 Ų244.1 Ų44.11%0.01223%0.232CC..Iπ-helixtrans-60.8-47.5178.5-59.70000111.2T33 F36 I158 S475 T476 W477 S484T33-T479 VanDerWaalsContact O-CG2 3.3Å; T33-T479 WeakPolarHBondContact O-CG2 3.42Å; F36-T479 HydrophobicContact CD2-CG2 3.81Å; F36-T479 HydrophobicContact CE2-CG2 4.21Å; I158-T479 HydrophobicContact CG2-CG2 3.63Å; S475-T479 WeakPolarHBondContact O-CB 3.35Å; S475-T479 PolarHBondContact O-N 2.78Å; S475-T479 PolarHBondContact O-OG1 3.13Å; T476-T479 PolarHBondContact O-N 3.11Å; W477-T479 VanDerWaalsContact C-N 3.34Å; W477-T479 PolarHBondContact O-N 2.91Å; T479-S484 VanDerWaalsContact O-CB 3.29Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.26Å; T479-S484 VanDerWaalsContact O-N 3.15Å; T479-S484 PolarHBondContact O-OG 3.12Å
480S88.8Confident88.8Confident19 Ų1941.2 Ų41.213%0.13322%0.218CC..Iπ-helixtrans-64.2-48.9-177.7175.60000112.5R40 T476 W477 V478R40-S480 PolarHBondContact NH1-O 3Å; R40-S480 PolarHBondContact NH2-OG 3.23Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 3.44Å; W477-S480 PolarHBondContact O-N 3.39Å; V478-S480 PolarHBondContact O-N 3.47Å
481E87.1Confident88.1Confident83 Ų8341.3 Ų41.339%0.38822%0.22SC..Iπ-helixtrans-94.2-30.9-170-64-53.2106.700114.2R40 W477 R493R40-E481 IonicContact CZ-OE1 2.74Å; R40-E481 IonicContact NH1-OE1 2.77Å; R40-E481 IonicContact NH2-OE1 2.64Å; R40-E481 PolarHBondContact NH2-OE1 3.29Å; W477-E481 PolarHBondContact O-N 2.98Å; E481-R493 IonicContact OE2-NH2 3.66Å; E481-R493 PolarHBondContact OE2-NH2 3.39Å
482A87.1Confident87.2Confident48 Ų4842.9 Ų42.940%0.39723%0.234SC..Iπ-helixtrans-102-49.5-173.600000113.6F362 V478F362-A482 HydrophobicContact CE1-CB 4.03Å; F362-A482 HydrophobicContact CZ-CB 3.71Å; V478-A482 HydrophobicContact CG1-CB 4.49Å; V478-A482 WeakPolarHBondContact O-CB 3.43Å; V478-A482 PolarHBondContact O-N 3.16Å
483Y88.1Confident86.3Confident61 Ų6149 Ų4924%0.23925%0.25CS..Iπ-helixtrans-92.7-14.6-172.1-63.9-52.1000114.8P155 S159 F362 D363 V478 S485P155-Y483 HydrophobicContact CB-CE2 4Å; S159-Y483 VanDerWaalsContact CB-CE1 3.48Å; F362-Y483 HydrophobicContact CE1-CE2 4.28Å; D363-Y483 PolarHBondContact OD1-OH 3.34Å; V478-Y483 HydrophobicContact CG1-CD2 3.74Å; V478-Y483 HydrophobicContact CG1-CE2 3.44Å; V478-Y483 VanDerWaalsContact CG1-CE2 3.44Å; V478-Y483 PolarHBondContact O-N 3.33Å; Y483-S485 VanDerWaalsContact C-N 3.3Å; Y483-S485 PolarHBondContact O-N 3.21Å
484S83.9Confident85.3Confident3 Ų343 Ų432%0.02123%0.23CC..  trans-92.748.1-178-58.40000113.2F36 T479F36-S484 WeakPolarHBondContact CB-OG 3.43Å; T479-S484 VanDerWaalsContact O-CB 3.29Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.26Å; T479-S484 VanDerWaalsContact O-N 3.15Å; T479-S484 PolarHBondContact O-OG 3.12Å
485S78.3Confident84.2Confident72 Ų7245.7 Ų45.750%0.50327%0.267SS..  trans-120.5122.7177.5-169.10000111.5Y483Y483-S485 VanDerWaalsContact C-N 3.3Å; Y483-S485 PolarHBondContact O-N 3.21Å
486P78.8Confident83.4Confident4 Ų453.3 Ų53.33%0.02631%0.308CS..  trans-68.9142.3173.229.4-33.6000110.3F41 V489F41-P486 HydrophobicContact CD1-CG 3.97Å; F41-P486 HydrophobicContact CD2-CG 3.82Å; F41-P486 HydrophobicContact CE1-CG 3.67Å; F41-P486 HydrophobicContact CE2-CG 3.55Å; F41-P486 HydrophobicContact CG-CG 3.97Å; F41-P486 HydrophobicContact CZ-CG 3.35Å; P486-V489 HydrophobicContact CG-CB 4.16Å
487S78.3Confident82.6Confident36 Ų3653.6 Ų53.625%0.25232%0.321SS..SBendtrans-82.8-16.8175-42.40000113.1
488I81.2Confident81.9Confident1 Ų149.6 Ų49.61%0.00532%0.315CS..SBendtrans-92.2-28.4-173.6-152.7162.5000113.7V44 Y51 F505 R506 M535V44-I488 HydrophobicContact CG1-CG2 4.42Å; Y51-I488 HydrophobicContact CE2-CD1 4.23Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.23Å; I488-F505 HydrophobicContact CG1-CB 4.29Å; I488-R506 HydrophobicContact CD1-CG 4.18Å; I488-R506 HydrophobicContact CG1-CG 4.18Å; I488-M535 HydrophobicContact CD1-CE 3.05Å; I488-M535 HydrophobicContact CD1-SD 3.58Å; I488-M535 VanDerWaalsContact CD1-SD 3.58Å; I488-M535 HydrophobicContact CG1-CE 4.47Å
489V81.8Confident81.1Confident5 Ų554.4 Ų54.43%0.0333%0.334CS..SBendtrans-113.2116.2178.3177.80000106.8F41 P486 I501F41-V489 HydrophobicContact CD1-CG1 4.43Å; F41-V489 HydrophobicContact CE1-CG1 4.26Å; P486-V489 HydrophobicContact CG-CB 4.16Å; V489-I501 HydrophobicContact CG1-CB 4.38Å; V489-I501 HydrophobicContact CG1-CG2 3.09Å
490L81.9Confident80.6Confident32 Ų3258.2 Ų58.217%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-84.1132.6176.1-60.2176.3000108.5I501 F502 F505 Y588 L688L490-I501 WeakPolarHBondContact O-CA 3.46Å; L490-F502 HydrophobicContact CB-CB 4.27Å; L490-F502 HydrophobicContact CB-CD2 4.27Å; L490-F502 PolarHBondContact N-O 3.35Å; L490-F502 PolarHBondContact O-N 3.16Å; L490-F505 HydrophobicContact CD1-CE2 4.18Å; L490-F505 HydrophobicContact CG-CE2 4.3Å; L490-Y588 HydrophobicContact CD1-CD2 3.73Å; L490-Y588 HydrophobicContact CD1-CE2 4.08Å; L490-Y588 HydrophobicContact CD1-CG 4.24Å; L490-Y588 HydrophobicContact CD2-CD2 3.95Å; L490-Y588 HydrophobicContact CD2-CE2 3.6Å; L490-L688 HydrophobicContact CD1-CD1 3.47Å; L490-L688 VanDerWaalsContact CD1-CD1 3.47Å; L490-L688 HydrophobicContact CD1-CD2 4.48Å
491S80.3Confident80.4Confident49 Ų4961.4 Ų61.434%0.34337%0.367SS..EExtended strand (participates in β ladder)trans-116.6125.917576.60000110.9R499 I500S491-R499 PolarHBondContact OG-NH2 2.71Å; S491-R499 VanDerWaalsContact OG-NH2 3.08Å; S491-I500 WeakPolarHBondContact CA-O 3.37Å
492A78Confident80.3Confident37 Ų3759.4 Ų59.431%0.30636%0.358SS..EExtended strand (participates in β ladder)trans-110.5158.6169.400000110.9I500 F502A492-I500 PolarHBondContact N-O 3.3Å; A492-I500 PolarHBondContact O-N 3.39Å; A492-F502 HydrophobicContact CB-CD2 4.5Å; A492-F502 HydrophobicContact CB-CE2 3.55Å; A492-F502 HydrophobicContact CB-CZ 4.2Å
493R76.6Confident80.4Confident193 Ų19359.3 Ų59.373%0.72835%0.351SS*.EExtended strand (participates in β ladder)trans-105.3123.4171.4-67.3-176.6-178.9168.33.7108.3E481 S498E481-R493 IonicContact OE2-NH2 3.66Å; E481-R493 PolarHBondContact OE2-NH2 3.39Å; R493-S498 WeakPolarHBondContact CA-O 3.43Å
494G73.6Confident80.7Confident22 Ų2256.6 Ų56.623%0.22734%0.34CS..  trans-68.3165.917000000111.4D496 G497 S498G494-D496 PolarHBondContact O-N 3.1Å; G494-D496 VanDerWaalsContact O-N 3.16Å; G494-G497 PolarHBondContact O-N 2.76Å; G494-S498 PolarHBondContact N-O 3.3Å
495G72.3Confident81.1Confident91 Ų9156.6 Ų56.694%0.93834%0.34SS*.THydrogen-bonded Turntrans-57.2-29.2178.400000113.7G497G495-G497 VanDerWaalsContact C-N 3.28Å; G495-G497 PolarHBondContact O-N 2.85Å
496D78.2Confident81.8Confident162 Ų16256 Ų5687%0.86633%0.326SS*.THydrogen-bonded Turntrans-85.84.2179-57.2-26.1000113.3G494 S498G494-D496 PolarHBondContact O-N 3.1Å; G494-D496 VanDerWaalsContact O-N 3.16Å; D496-S498 VanDerWaalsContact C-N 3.25Å; D496-S498 PolarHBondContact O-N 3.31Å
497G77Confident82.6Confident58 Ų5858.5 Ų58.560%0.59834%0.338SS*.SBendtrans79.9-0.2-175.700000114.6G494 G495G494-G497 PolarHBondContact O-N 2.76Å; G495-G497 VanDerWaalsContact C-N 3.28Å; G495-G497 PolarHBondContact O-N 2.85Å
498S81.6Confident83.5Confident63 Ų6356.8 Ų56.844%0.44133%0.326SS..PPolyproline II helixtrans-63.5141.8171.860.30000110.9R493 G494 D496R493-S498 WeakPolarHBondContact CA-O 3.43Å; G494-S498 PolarHBondContact N-O 3.3Å; D496-S498 VanDerWaalsContact C-N 3.25Å; D496-S498 PolarHBondContact O-N 3.31Å
499R77.7Confident84.2Confident102 Ų10256.8 Ų56.839%0.38533%0.326SS..EExtended strand (participates in β ladder)trans-91117.5178.3-166.1-177.7-160.9-176.310.2109.3R40 F41 S491 I501R40-R499 PolarHBondContact O-NH1 3.04Å; F41-R499 VanDerWaalsContact CE1-CZ 3.49Å; S491-R499 PolarHBondContact OG-NH2 2.71Å; S491-R499 VanDerWaalsContact OG-NH2 3.08Å; R499-I501 HydrophobicContact CG-CG1 4.46Å
500I82.1Confident84.9Confident81 Ų8163.4 Ų63.442%0.41535%0.351SS..EExtended strand (participates in β ladder)trans-100.1133172.4-57.8174.5000107.3S491 A492 F502S491-I500 WeakPolarHBondContact CA-O 3.37Å; A492-I500 PolarHBondContact N-O 3.3Å; A492-I500 PolarHBondContact O-N 3.39Å; I500-F502 HydrophobicContact CG2-CD1 4.32Å; I500-F502 HydrophobicContact CG2-CE1 3.73Å; I500-F502 HydrophobicContact CG2-CZ 3.84Å
501I84.4Confident85.7Confident86 Ų8664.1 Ų64.144%0.44135%0.352SS..EExtended strand (participates in β ladder)trans-113.9124.8-178-68.7176.9000107.7V489 L490 R499V489-I501 HydrophobicContact CG1-CB 4.38Å; V489-I501 HydrophobicContact CG1-CG2 3.09Å; L490-I501 WeakPolarHBondContact O-CA 3.46Å; R499-I501 HydrophobicContact CG-CG1 4.46Å
502F84.8Confident86.5Confident41 Ų4161.8 Ų61.818%0.1834%0.335CS..EExtended strand (participates in β ladder)trans-104.4128.1172.9-47.6-72.9000108.9L490 A492 I500 H686L490-F502 HydrophobicContact CB-CB 4.27Å; L490-F502 HydrophobicContact CB-CD2 4.27Å; L490-F502 PolarHBondContact N-O 3.35Å; L490-F502 PolarHBondContact O-N 3.16Å; A492-F502 HydrophobicContact CB-CD2 4.5Å; A492-F502 HydrophobicContact CB-CE2 3.55Å; A492-F502 HydrophobicContact CB-CZ 4.2Å; I500-F502 HydrophobicContact CG2-CD1 4.32Å; I500-F502 HydrophobicContact CG2-CE1 3.73Å; I500-F502 HydrophobicContact CG2-CZ 3.84Å; F502-H686 AromaticContact CD1-CD2 3.78Å; F502-H686 AromaticContact CD1-CE1 3.64Å; F502-H686 AromaticContact CD1-CG 3.87Å; F502-H686 AromaticContact CD1-ND1 3.75Å; F502-H686 AromaticContact CD1-NE2 3.6Å; F502-H686 AromaticContact CE1-CD2 3.8Å; F502-H686 AromaticContact CE1-NE2 3.69Å
503D90.3Very high87.4Confident47 Ų4764.5 Ų64.525%0.25134%0.338SS..  trans-126.826.2-172.8-162.727.9000113.4F505 R506 E507D503-F505 PolarHBondContact O-N 3.37Å; D503-F505 VanDerWaalsContact O-N 3.14Å; D503-R506 PolarHBondContact O-N 3.31Å; D503-R506 VanDerWaalsContact O-N 3.11Å; D503-R506 WeakPolarHBondContact OD1-CB 3.33Å; D503-R506 WeakPolarHBondContact OD1-CG 3.36Å; D503-R506 IonicContact OD1-CZ 3.55Å; D503-R506 IonicContact OD1-NE 3.67Å; D503-R506 PolarHBondContact OD1-NE 3.13Å; D503-R506 IonicContact OD1-NH2 3.36Å; D503-R506 PolarHBondContact OD1-NH2 3.46Å; D503-R506 IonicContact OD2-CZ 3.74Å; D503-R506 IonicContact OD2-NE 3.9Å; D503-R506 PolarHBondContact OD2-NE 2.69Å; D503-R506 IonicContact OD2-NH2 2.81Å; D503-R506 PolarHBondContact OD2-NH2 3.09Å; D503-E507 PolarHBondContact O-N 3.41Å; D503-E507 VanDerWaalsContact O-N 3.08Å
504D93.3Very high88.4Confident3 Ų360.4 Ų60.42%0.01633%0.327CS..Hα-helixtrans-53.3-33.7-178.8-7139.9000113.3A508 T684 H686 L688D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.8Å; D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.31Å; D504-T684 WeakPolarHBondContact O-CG2 3.46Å; D504-T684 VanDerWaalsContact OD2-CB 3.32Å; D504-T684 WeakPolarHBondContact OD2-CB 3.35Å; D504-T684 PolarHBondContact OD2-OG1 3.41Å; D504-H686 IonicContact OD1-CE1 2.71Å; D504-H686 IonicContact OD1-CG 3.03Å; D504-H686 IonicContact OD1-ND1 3.82Å; D504-H686 PolarHBondContact OD1-ND1 2.92Å; D504-H686 WeakPolarHBondContact OD2-CA 3.48Å; D504-H686 VanDerWaalsContact OD2-CB 3.29Å; D504-H686 WeakPolarHBondContact OD2-CB 3.42Å; D504-H686 IonicContact OD2-CG 3.92Å; D504-H686 PolarHBondContact OD2-N 3.25Å; D504-H686 IonicContact OD2-ND1 3.38Å; D504-L688 HydrophobicContact CB-CB 3.67Å; D504-L688 HydrophobicContact CB-CD2 4.17Å; D504-L688 HydrophobicContact CB-CG 4.47Å; D504-L688 WeakPolarHBondContact OD2-CB 3.49Å
505F93.4Very high89.6Confident3 Ų364.1 Ų64.11%0.01334%0.341CS..Hα-helixtrans-60.1-52.8176.3-75.7-83000111.8I488 L490 D503 E507 A508 Y509 I581 Y588 L688 V689I488-F505 HydrophobicContact CG1-CB 4.29Å; L490-F505 HydrophobicContact CD1-CE2 4.18Å; L490-F505 HydrophobicContact CG-CE2 4.3Å; D503-F505 PolarHBondContact O-N 3.37Å; D503-F505 VanDerWaalsContact O-N 3.14Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-A508 PolarHBondContact O-N 2.98Å; F505-Y509 HydrophobicContact CB-CE2 4.19Å; F505-Y509 HydrophobicContact CD1-CE2 4.31Å; F505-Y509 WeakPolarHBondContact O-CB 3.13Å; F505-Y509 WeakPolarHBondContact O-CD2 3.41Å; F505-Y509 PolarHBondContact O-N 2.72Å; F505-I581 HydrophobicContact CD1-CD1 4.27Å; F505-I581 HydrophobicContact CE1-CD1 3.36Å; F505-I581 HydrophobicContact CZ-CD1 4.01Å; F505-Y588 HydrophobicContact CZ-CE1 4.45Å; F505-L688 HydrophobicContact CD1-CD2 4.4Å; F505-L688 HydrophobicContact CD2-CD2 3.63Å; F505-L688 HydrophobicContact CE1-CD2 4.16Å; F505-L688 HydrophobicContact CE2-CD2 3.29Å; F505-L688 HydrophobicContact CG-CD2 4.18Å; F505-L688 HydrophobicContact CZ-CD2 3.58Å; F505-V689 HydrophobicContact CD1-CG2 4.22Å
506R92.8Very high90.8Very high60 Ų6060.3 Ų60.323%0.22630%0.3CS..Hα-helixtrans-67.3-40.4-179.1-69.2-167.4-72.1168.72.8110.3E42 I488 D503 Y509 Y510 M535E42-R506 IonicContact OE1-CZ 3.78Å; E42-R506 IonicContact OE1-NH1 2.76Å; E42-R506 PolarHBondContact OE1-NH1 3.45Å; E42-R506 IonicContact OE2-CZ 3.67Å; E42-R506 IonicContact OE2-NH1 3.89Å; E42-R506 PolarHBondContact OE2-NH1 3.44Å; E42-R506 IonicContact OE2-NH2 2.89Å; I488-R506 HydrophobicContact CD1-CG 4.18Å; I488-R506 HydrophobicContact CG1-CG 4.18Å; D503-R506 PolarHBondContact O-N 3.31Å; D503-R506 VanDerWaalsContact O-N 3.11Å; D503-R506 WeakPolarHBondContact OD1-CB 3.33Å; D503-R506 WeakPolarHBondContact OD1-CG 3.36Å; D503-R506 IonicContact OD1-CZ 3.55Å; D503-R506 IonicContact OD1-NE 3.67Å; D503-R506 PolarHBondContact OD1-NE 3.13Å; D503-R506 IonicContact OD1-NH2 3.36Å; D503-R506 PolarHBondContact OD1-NH2 3.46Å; D503-R506 IonicContact OD2-CZ 3.74Å; D503-R506 IonicContact OD2-NE 3.9Å; D503-R506 PolarHBondContact OD2-NE 2.69Å; D503-R506 IonicContact OD2-NH2 2.81Å; D503-R506 PolarHBondContact OD2-NH2 3.09Å; R506-Y509 PolarHBondContact O-N 3.08Å; R506-Y510 VanDerWaalsContact O-CB 3.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.23Å; R506-Y510 PolarHBondContact O-N 3.05Å; R506-M535 HydrophobicContact CG-CE 4.49Å; R506-M535 HydrophobicContact CG-SD 4.09Å
507E96.1Very high91.7Very high57 Ų5755.9 Ų55.927%0.26628%0.28SS..Hα-helixtrans-53.4-55.2174.3-175.3-162.514200111.8D503 F505 Y509 Y510 W511 Y682D503-E507 PolarHBondContact O-N 3.41Å; D503-E507 VanDerWaalsContact O-N 3.08Å; F505-E507 VanDerWaalsContact C-N 3.34Å; E507-Y509 PolarHBondContact O-N 3.06Å; E507-Y510 PolarHBondContact O-N 3.16Å; E507-W511 PolarHBondContact O-N 2.93Å; E507-Y682 HydrophobicContact CG-CE1 4.43Å; E507-Y682 PolarHBondContact OE1-OH 3.38Å
508A96.8Very high92.5Very high0 Ų058.5 Ų58.50%028%0.277CS..Hα-helixtrans-62.2-44.2-179.700000112.5D504 F505 Y510 W511 L512 T684 V689 I691D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.8Å; F505-A508 PolarHBondContact O-N 2.98Å; A508-Y510 VanDerWaalsContact C-N 3.29Å; A508-Y510 PolarHBondContact O-N 2.59Å; A508-W511 PolarHBondContact O-N 3.14Å; A508-L512 WeakPolarHBondContact O-CB 3.02Å; A508-L512 PolarHBondContact O-N 2.65Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; A508-V689 HydrophobicContact CB-CB 3.65Å; A508-V689 HydrophobicContact CB-CG1 3.58Å; A508-V689 HydrophobicContact CB-CG2 4.14Å; A508-I691 HydrophobicContact CB-CD1 4.28Å
509Y96.3Very high93.1Very high1 Ų161.2 Ų61.20%0.00429%0.286CS..Hα-helixtrans-65.1-34.3177.4-62.6-32.1000112F505 R506 E507 L512 R513 Q531 I532 M535 A536 L579F505-Y509 HydrophobicContact CB-CE2 4.19Å; F505-Y509 HydrophobicContact CD1-CE2 4.31Å; F505-Y509 WeakPolarHBondContact O-CB 3.13Å; F505-Y509 WeakPolarHBondContact O-CD2 3.41Å; F505-Y509 PolarHBondContact O-N 2.72Å; R506-Y509 PolarHBondContact O-N 3.08Å; E507-Y509 PolarHBondContact O-N 3.06Å; Y509-L512 PolarHBondContact O-N 3.42Å; Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.37Å; Y509-Q531 HydrophobicContact CE2-CB 4.02Å; Y509-Q531 PolarHBondContact OH-OE1 2.84Å; Y509-I532 HydrophobicContact CD1-CG1 4.24Å; Y509-I532 HydrophobicContact CE1-CG1 3.66Å; Y509-M535 HydrophobicContact CD2-CB 3.97Å; Y509-M535 HydrophobicContact CD2-CG 4.29Å; Y509-M535 HydrophobicContact CD2-SD 3.82Å; Y509-M535 HydrophobicContact CG-CB 4.16Å; Y509-A536 WeakPolarHBondContact O-CA 3.45Å; Y509-A536 WeakPolarHBondContact O-CB 3.25Å; Y509-L579 HydrophobicContact CD1-CD1 4.22Å; Y509-L579 HydrophobicContact CE1-CD1 3.89Å
510Y96.8Very high94Very high144 Ų14456.5 Ų56.557%0.56527%0.269SS*.Hα-helixtrans-73.3-38.3178.2-141-103.7000112.5R506 E507 A508 R513 H514R506-Y510 VanDerWaalsContact O-CB 3.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.23Å; R506-Y510 PolarHBondContact O-N 3.05Å; E507-Y510 PolarHBondContact O-N 3.16Å; A508-Y510 VanDerWaalsContact C-N 3.29Å; A508-Y510 PolarHBondContact O-N 2.59Å; Y510-R513 WeakPolarHBondContact O-CB 3.37Å; Y510-R513 PolarHBondContact O-N 3.28Å; Y510-H514 AromaticContact CD1-CE1 3.5Å; Y510-H514 VanDerWaalsContact CD1-CE1 3.5Å; Y510-H514 WeakPolarHBondContact CD1-CE1 3.32Å; Y510-H514 AromaticContact CD1-ND1 3.46Å; Y510-H514 WeakPolarHBondContact CD1-ND1 3.43Å; Y510-H514 AromaticContact CE1-CE1 3.12Å; Y510-H514 WeakPolarHBondContact CE1-CE1 3.44Å; Y510-H514 AromaticContact CE1-ND1 3.58Å; Y510-H514 AromaticContact CE1-NE2 3.93Å; Y510-H514 AromaticContact CE2-CE1 3.99Å; Y510-H514 AromaticContact CZ-CE1 3.41Å; Y510-H514 VanDerWaalsContact CZ-CE1 3.41Å; Y510-H514 PolarHBondContact O-N 3.44Å; Y510-H514 VanDerWaalsContact O-N 3.15Å; Y510-H514 PolarHBondContact O-ND1 3.3Å
511W97.9Very high94.7Very high46 Ų4654.5 Ų54.517%0.17426%0.257CS..Hα-helixtrans-59.1-49.2170179.691.2000110.3E507 A508 R513 H514 N515 T516 Y577 A681 Y682 I691E507-W511 PolarHBondContact O-N 2.93Å; A508-W511 PolarHBondContact O-N 3.14Å; W511-R513 PolarHBondContact O-N 2.84Å; W511-H514 PolarHBondContact O-N 3.04Å; W511-H514 VanDerWaalsContact O-N 3.13Å; W511-N515 HydrophobicContact CD2-CB 4.15Å; W511-N515 HydrophobicContact CG-CB 4.36Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 VanDerWaalsContact O-CB 3.29Å; W511-N515 WeakPolarHBondContact O-CB 3.38Å; W511-N515 PolarHBondContact O-N 3.32Å; W511-N515 PolarHBondContact O-OD1 3.24Å; W511-T516 HydrophobicContact CH2-CG2 4.34Å; W511-T516 HydrophobicContact CZ3-CG2 4.02Å; W511-Y577 HydrophobicContact CH2-CE1 4.36Å; W511-A681 HydrophobicContact CH2-CB 3.81Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; W511-Y682 HydrophobicContact CB-CD1 4.32Å; W511-Y682 HydrophobicContact CB-CE1 4.24Å; W511-Y682 HydrophobicContact CB-CE2 4.48Å; W511-Y682 HydrophobicContact CB-CG 4.48Å; W511-Y682 AromaticContact CD1-CD2 3.41Å; W511-Y682 VanDerWaalsContact CD1-CD2 3.41Å; W511-Y682 AromaticContact CD1-CE2 3.48Å; W511-Y682 VanDerWaalsContact CD1-CE2 3.48Å; W511-Y682 AromaticContact CD1-CG 3.98Å; W511-Y682 HydrophobicContact CD2-CD1 4.26Å; W511-Y682 AromaticContact CD2-CD2 3.86Å; W511-Y682 HydrophobicContact CD2-CD2 3.86Å; W511-Y682 AromaticContact CD2-CG 3.68Å; W511-Y682 HydrophobicContact CD2-CG 3.68Å; W511-Y682 AromaticContact CE2-CD2 3.68Å; W511-Y682 AromaticContact CE2-CG 3.85Å; W511-Y682 HydrophobicContact CE3-CG 4.16Å; W511-Y682 HydrophobicContact CG-CD1 4.12Å; W511-Y682 AromaticContact CG-CD2 3.72Å; W511-Y682 HydrophobicContact CG-CD2 3.72Å; W511-Y682 HydrophobicContact CG-CE1 4.34Å; W511-Y682 AromaticContact CG-CE2 3.93Å; W511-Y682 HydrophobicContact CG-CE2 3.93Å; W511-Y682 AromaticContact CG-CG 3.8Å; W511-Y682 HydrophobicContact CG-CG 3.8Å; W511-Y682 HydrophobicContact CZ2-CD2 4.44Å; W511-Y682 HydrophobicContact CZ2-CG 4.47Å; W511-Y682 AromaticContact NE1-CD2 3.36Å; W511-Y682 AromaticContact NE1-CE2 3.85Å; W511-Y682 AromaticContact NE1-CG 3.98Å; W511-I691 HydrophobicContact CE3-CD1 3.62Å; W511-I691 HydrophobicContact CZ3-CB 4.35Å; W511-I691 HydrophobicContact CZ3-CD1 3.91Å; W511-I691 HydrophobicContact CZ3-CG2 3.98Å
512L97.3Very high95.3Very high0 Ų050.4 Ų50.40%024%0.236CC..Hα-helixtrans-58.7-35.2179.4-171.468.7000111.5A508 Y509 T516 V522 I532 A536 R538 I691A508-L512 WeakPolarHBondContact O-CB 3.02Å; A508-L512 PolarHBondContact O-N 2.65Å; Y509-L512 PolarHBondContact O-N 3.42Å; L512-T516 HydrophobicContact CD1-CG2 3.74Å; L512-T516 PolarHBondContact O-OG1 3.12Å; L512-V522 HydrophobicContact CD1-CG2 4.05Å; L512-V522 HydrophobicContact CD2-CG1 4.22Å; L512-V522 HydrophobicContact CD2-CG2 3.86Å; L512-V522 HydrophobicContact CG-CG2 4.35Å; L512-I532 HydrophobicContact CD2-CG2 4.23Å; L512-A536 HydrophobicContact CB-CB 4.06Å; L512-A536 HydrophobicContact CD2-CB 3.58Å; L512-A536 HydrophobicContact CG-CB 4.06Å; L512-R538 HydrophobicContact CG-CG 4.23Å; L512-I691 HydrophobicContact CB-CD1 4.32Å; L512-I691 HydrophobicContact CD1-CD1 4.41Å; L512-I691 HydrophobicContact CD1-CG2 4.42Å
513R97.2Very high95.9Very high94 Ų9448.4 Ų48.436%0.35523%0.228SC..Hα-helixtrans-69.9-37.5176.8-176.1168.5173.9171-2.5115Y509 Y510 W511 M535 A536 R538Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.37Å; Y510-R513 WeakPolarHBondContact O-CB 3.37Å; Y510-R513 PolarHBondContact O-N 3.28Å; W511-R513 PolarHBondContact O-N 2.84Å; R513-M535 WeakPolarHBondContact CD-O 3.33Å; R513-M535 PolarHBondContact NH1-O 3.1Å; R513-A536 WeakPolarHBondContact CA-O 3.35Å; R513-A536 VanDerWaalsContact CB-O 3.27Å; R513-A536 WeakPolarHBondContact CB-O 3.26Å; R513-A536 WeakPolarHBondContact CG-O 3.45Å; R513-R538 PolarHBondContact O-NH2 2.86Å
514H97.4Very high96.2Very high107 Ų10746.2 Ų46.250%0.49522%0.216SC..Hα-helixtrans-101.9-20.9-171.3-67.484.2000113.5Y510 W511Y510-H514 AromaticContact CD1-CE1 3.5Å; Y510-H514 VanDerWaalsContact CD1-CE1 3.5Å; Y510-H514 WeakPolarHBondContact CD1-CE1 3.32Å; Y510-H514 AromaticContact CD1-ND1 3.46Å; Y510-H514 WeakPolarHBondContact CD1-ND1 3.43Å; Y510-H514 AromaticContact CE1-CE1 3.12Å; Y510-H514 WeakPolarHBondContact CE1-CE1 3.44Å; Y510-H514 AromaticContact CE1-ND1 3.58Å; Y510-H514 AromaticContact CE1-NE2 3.93Å; Y510-H514 AromaticContact CE2-CE1 3.99Å; Y510-H514 AromaticContact CZ-CE1 3.41Å; Y510-H514 VanDerWaalsContact CZ-CE1 3.41Å; Y510-H514 PolarHBondContact O-N 3.44Å; Y510-H514 VanDerWaalsContact O-N 3.15Å; Y510-H514 PolarHBondContact O-ND1 3.3Å; W511-H514 PolarHBondContact O-N 3.04Å; W511-H514 VanDerWaalsContact O-N 3.13Å
515N97.8Very high96.4Very high100 Ų10046.4 Ų46.454%0.53522%0.216SC..Hα-helixtrans-112.43.1-170.3-62.785.9000113.9W511W511-N515 HydrophobicContact CD2-CB 4.15Å; W511-N515 HydrophobicContact CG-CB 4.36Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 VanDerWaalsContact O-CB 3.29Å; W511-N515 WeakPolarHBondContact O-CB 3.38Å; W511-N515 PolarHBondContact O-N 3.32Å; W511-N515 PolarHBondContact O-OD1 3.24Å
516T97.1Very high96.4Very high11 Ų1147.5 Ų47.57%0.06722%0.22CC..SBendtrans-119.3155.9176.770.90000112.3W511 L512 R538 Y577W511-T516 HydrophobicContact CH2-CG2 4.34Å; W511-T516 HydrophobicContact CZ3-CG2 4.02Å; L512-T516 HydrophobicContact CD1-CG2 3.74Å; L512-T516 PolarHBondContact O-OG1 3.12Å; T516-R538 PolarHBondContact O-NH2 3.08Å; T516-R538 PolarHBondContact OG1-NE 2.85Å; T516-Y577 HydrophobicContact CG2-CD2 4.21Å; T516-Y577 HydrophobicContact CG2-CE1 4.06Å; T516-Y577 HydrophobicContact CG2-CE2 3.62Å
517P96.9Very high96.2Very high70 Ų7045.7 Ų45.746%0.45522%0.215SC..  trans-53.7147.9171-25.434.9000112.6D519 A520 R538P517-D519 VanDerWaalsContact CB-OD1 3.26Å; P517-D519 WeakPolarHBondContact CB-OD1 3.42Å; P517-D519 PolarHBondContact O-N 3.49Å; P517-A520 HydrophobicContact CB-CB 4.37Å; P517-A520 WeakPolarHBondContact O-CB 3.31Å; P517-A520 PolarHBondContact O-N 2.96Å; P517-A520 VanDerWaalsContact O-N 3.1Å; P517-R538 PolarHBondContact O-NE 3.17Å; P517-R538 VanDerWaalsContact O-NE 3.08Å
518E94.1Very high96.1Very high113 Ų11343 Ų4353%0.52820%0.203SC..THydrogen-bonded Turntrans-64.1-26.9-178.2-73.1-60.713400113.5R538E518-R538 IonicContact OE1-CZ 2.92Å; E518-R538 IonicContact OE1-NH1 2.74Å; E518-R538 PolarHBondContact OE1-NH1 3.43Å; E518-R538 IonicContact OE1-NH2 3.52Å; E518-R538 PolarHBondContact OE1-NH2 3.4Å; E518-R538 IonicContact OE2-CZ 2.72Å; E518-R538 IonicContact OE2-NH1 2.94Å; E518-R538 PolarHBondContact OE2-NH1 2.74Å; E518-R538 IonicContact OE2-NH2 3.37Å
519D94.9Very high95.9Very high120 Ų12043 Ų4364%0.64220%0.203SC*.THydrogen-bonded Turntrans-93.85.8177.865-32.3000113.4P517 K521P517-D519 VanDerWaalsContact CB-OD1 3.26Å; P517-D519 WeakPolarHBondContact CB-OD1 3.42Å; P517-D519 PolarHBondContact O-N 3.49Å; D519-K521 PolarHBondContact O-N 2.85Å
520A96.4Very high95.8Very high2 Ų243.9 Ų43.92%0.01721%0.206CC..  trans-61.5132.1179.400000111.4P517 T539 Y577P517-A520 HydrophobicContact CB-CB 4.37Å; P517-A520 WeakPolarHBondContact O-CB 3.31Å; P517-A520 PolarHBondContact O-N 2.96Å; P517-A520 VanDerWaalsContact O-N 3.1Å; A520-T539 PolarHBondContact O-N 3.46Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.87Å
521K97.1Very high95.6Very high39 Ų3937 Ų3717%0.1718%0.179CC..EExtended strand (participates in β ladder)trans-101.8124.9-179.2-63151-172.6171.70109.7Y78 D519 T539 L541 D574 S576 Y577Y78-K521 HydrophobicContact CD1-CD 4Å; Y78-K521 HydrophobicContact CD1-CG 4.47Å; Y78-K521 HydrophobicContact CE1-CD 3.81Å; Y78-K521 HydrophobicContact CE2-CD 4.32Å; Y78-K521 HydrophobicContact CG-CD 4.36Å; Y78-K521 HydrophobicContact CG-CG 4.5Å; Y78-K521 VanDerWaalsContact CZ-CE 3.41Å; Y78-K521 PolarHBondContact OH-NZ 3.41Å; D519-K521 PolarHBondContact O-N 2.85Å; K521-T539 WeakPolarHBondContact CA-O 3.1Å; K521-T539 HydrophobicContact CG-CG2 4.16Å; K521-L541 HydrophobicContact CB-CD1 4.14Å; K521-D574 HydrophobicContact CD-CB 4Å; K521-D574 WeakPolarHBondContact CD-O 3.5Å; K521-D574 IonicContact NZ-OD2 3.75Å; K521-S576 PolarHBondContact N-OG 3.4Å; K521-S576 PolarHBondContact O-N 3.43Å; K521-Y577 PolarHBondContact O-N 3.41Å
522V97.6Very high95.5Very high0 Ų034.9 Ų34.90%017%0.171CC..EExtended strand (participates in β ladder)trans-110.8122.6-174.8-172.60000109.7L512 R538 T539 Y577 L579L512-V522 HydrophobicContact CD1-CG2 4.05Å; L512-V522 HydrophobicContact CD2-CG1 4.22Å; L512-V522 HydrophobicContact CD2-CG2 3.86Å; L512-V522 HydrophobicContact CG-CG2 4.35Å; V522-R538 HydrophobicContact CG2-CB 4.02Å; V522-T539 PolarHBondContact N-O 2.97Å; V522-Y577 CarbonylContact C-O 3.33Å; V522-Y577 WeakPolarHBondContact CA-O 3.34Å; V522-L579 HydrophobicContact CG1-CB 4.08Å
523M97.3Very high95.3Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-94.7125.2172.7-174.3175.870.500109.7L541 V555 A558 M559 M570 V575 Y577 V578 L579M523-L541 HydrophobicContact CB-CD2 4.47Å; M523-L541 HydrophobicContact CG-CD2 4.48Å; M523-V555 HydrophobicContact CG-CG1 4.02Å; M523-V555 HydrophobicContact CG-CG2 4.45Å; M523-V555 HydrophobicContact SD-CG1 4.25Å; M523-V555 HydrophobicContact SD-CG2 4.5Å; M523-A558 HydrophobicContact CE-CB 4.27Å; M523-A558 HydrophobicContact SD-CB 4.21Å; M523-M559 HydrophobicContact CE-CE 3.85Å; M523-M559 HydrophobicContact CE-SD 4.24Å; M523-M559 HydrophobicContact CG-CE 4.07Å; M523-M559 HydrophobicContact SD-CE 4.47Å; M523-M570 HydrophobicContact CE-CG 3.61Å; M523-M570 HydrophobicContact CE-SD 3.62Å; M523-M570 HydrophobicContact SD-CG 4.23Å; M523-V575 HydrophobicContact CB-CG1 3.61Å; M523-V575 HydrophobicContact CB-CG2 4.02Å; M523-V575 HydrophobicContact SD-CG2 4.21Å; M523-Y577 PolarHBondContact N-O 2.91Å; M523-V578 HydrophobicContact CE-CG1 3.85Å; M523-V578 HydrophobicContact CE-CG2 3.87Å; M523-V578 WeakPolarHBondContact O-CA 3.45Å; M523-L579 PolarHBondContact O-N 3.25Å
524S96.4Very high95.1Very high1 Ų132.1 Ų32.11%0.00717%0.168CC..  trans-142.9174.5174.268.10000109.6I532 V542S524-I532 VanDerWaalsContact OG-CD1 3.25Å; S524-I532 WeakPolarHBondContact OG-CD1 3.22Å; S524-V542 WeakPolarHBondContact O-CG2 3.34Å
525W95.9Very high94.8Very high7 Ų728.5 Ų28.53%0.02715%0.152CC..  trans-66.3157.2165.1-163.5-121.9000111.5D527 Y528 I552 M599 I602W525-D527 VanDerWaalsContact C-N 3.28Å; W525-D527 VanDerWaalsContact CD1-OD1 3.3Å; W525-D527 PolarHBondContact NE1-OD1 2.86Å; W525-D527 PolarHBondContact O-N 3.41Å; W525-Y528 HydrophobicContact CB-CD2 4.29Å; W525-Y528 HydrophobicContact CB-CE2 4.12Å; W525-Y528 PolarHBondContact O-N 3.28Å; W525-I552 HydrophobicContact CH2-CG2 4.17Å; W525-I552 HydrophobicContact CZ3-CG2 4.36Å; W525-M599 HydrophobicContact CB-CE 3.94Å; W525-M599 HydrophobicContact CD2-CE 3.7Å; W525-M599 HydrophobicContact CD2-CG 3.9Å; W525-M599 HydrophobicContact CD2-SD 4.11Å; W525-M599 HydrophobicContact CE3-CB 4.43Å; W525-M599 HydrophobicContact CE3-CE 4.02Å; W525-M599 HydrophobicContact CE3-CG 3.69Å; W525-M599 HydrophobicContact CE3-SD 3.82Å; W525-M599 HydrophobicContact CG-CE 3.68Å; W525-M599 HydrophobicContact CH2-CB 3.9Å; W525-M599 HydrophobicContact CH2-CG 3.67Å; W525-M599 HydrophobicContact CZ2-CB 4.43Å; W525-M599 HydrophobicContact CZ2-CG 3.81Å; W525-M599 HydrophobicContact CZ3-CB 3.88Å; W525-M599 HydrophobicContact CZ3-CG 3.6Å; W525-M599 HydrophobicContact CZ3-SD 4.22Å; W525-I602 HydrophobicContact CH2-CD1 4.04Å; W525-I602 HydrophobicContact CZ2-CD1 3.95Å
526W93.6Very high94.7Very high25 Ų2523.8 Ų23.810%0.09513%0.126CC..G310 helixtrans-65.1-28.9-17159-93.6000113.5V349 Y528 G529 V542 D543 N544 T546 I552V349-W526 HydrophobicContact CG2-CH2 4.2Å; W526-Y528 PolarHBondContact O-N 3.1Å; W526-Y528 VanDerWaalsContact O-N 3.16Å; W526-G529 PolarHBondContact O-N 2.91Å; W526-V542 HydrophobicContact CB-CB 4.48Å; W526-V542 HydrophobicContact CB-CG2 4.39Å; W526-D543 CarbonylContact O-C 3.59Å; W526-N544 WeakPolarHBondContact CZ3-OD1 3.48Å; W526-N544 PolarHBondContact O-N 3.28Å; W526-T546 HydrophobicContact CD2-CG2 3.89Å; W526-T546 HydrophobicContact CE3-CG2 3.67Å; W526-T546 HydrophobicContact CG-CG2 4.33Å; W526-T546 HydrophobicContact CZ3-CG2 4.16Å; W526-I552 HydrophobicContact CB-CD1 4.4Å
527D89.9Confident94.6Very high22 Ų2225.5 Ų25.512%0.11814%0.135CC..G310 helixtrans-52.4-36.6177.8-61.813.4000113.2F48 W525 K595F48-D527 WeakPolarHBondContact CD1-O 3.48Å; W525-D527 VanDerWaalsContact C-N 3.28Å; W525-D527 VanDerWaalsContact CD1-OD1 3.3Å; W525-D527 PolarHBondContact NE1-OD1 2.86Å; W525-D527 PolarHBondContact O-N 3.41Å; D527-K595 WeakPolarHBondContact OD2-CE 3.49Å; D527-K595 IonicContact OD2-NZ 3.54Å; D527-K595 PolarHBondContact OD2-NZ 2.94Å
528Y93Very high94.6Very high1 Ų122.2 Ų22.20%0.00411%0.114CC..G310 helixtrans-96.4-4.4-169.9-44.2-57.8000113.8F48 W525 W526 Y530 Q531 I532 I581 D592 K595F48-Y528 HydrophobicContact CD1-CD1 4.27Å; F48-Y528 AromaticContact CE1-CD1 3.77Å; F48-Y528 HydrophobicContact CE1-CD1 3.77Å; F48-Y528 HydrophobicContact CE1-CE1 4.02Å; F48-Y528 HydrophobicContact CZ-CE1 4.45Å; W525-Y528 HydrophobicContact CB-CD2 4.29Å; W525-Y528 HydrophobicContact CB-CE2 4.12Å; W525-Y528 PolarHBondContact O-N 3.28Å; W526-Y528 PolarHBondContact O-N 3.1Å; W526-Y528 VanDerWaalsContact O-N 3.16Å; Y528-Y530 PolarHBondContact O-N 2.92Å; Y528-Q531 PolarHBondContact O-N 3.02Å; Y528-Q531 VanDerWaalsContact O-N 3.09Å; Y528-I532 WeakPolarHBondContact O-CG1 3.41Å; Y528-I532 PolarHBondContact O-N 3.48Å; Y528-I581 HydrophobicContact CD1-CD1 3.88Å; Y528-I581 HydrophobicContact CD2-CD1 4.22Å; Y528-I581 HydrophobicContact CD2-CG1 4.43Å; Y528-I581 HydrophobicContact CE1-CD1 3.35Å; Y528-I581 HydrophobicContact CE1-CG1 4.33Å; Y528-I581 HydrophobicContact CE2-CD1 3.72Å; Y528-I581 HydrophobicContact CE2-CG1 3.81Å; Y528-I581 HydrophobicContact CG-CD1 4.3Å; Y528-D592 VanDerWaalsContact CE2-OD1 3.23Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.13Å; Y528-D592 PolarHBondContact OH-OD1 2.66Å; Y528-K595 PolarHBondContact OH-NZ 2.77Å
529G93.4Very high94.7Very high0 Ų017.7 Ų17.70%09%0.094CC..Hα-helixtrans-55.1-49.7-171.700000113.4W526 Q531 I532 T533 I540W526-G529 PolarHBondContact O-N 2.91Å; G529-Q531 VanDerWaalsContact C-N 3.34Å; G529-Q531 PolarHBondContact O-N 2.72Å; G529-I532 PolarHBondContact O-N 3.47Å; G529-T533 PolarHBondContact O-N 2.92Å; G529-T533 PolarHBondContact O-OG1 3.42Å; G529-I540 WeakPolarHBondContact O-CD1 3.26Å
530Y94.4Very high94.8Very high19 Ų1912 Ų128%0.0756%0.063CC..Hα-helixtrans-61.2-39.8177.7-67.1-28.7000113.2F52 R82 Y528 A534 D543 N544 N545F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.76Å; F52-Y530 HydrophobicContact CB-CE1 3.6Å; F52-Y530 HydrophobicContact CB-CE2 3.82Å; F52-Y530 HydrophobicContact CB-CG 3.63Å; F52-Y530 AromaticContact CD2-CD1 3.88Å; F52-Y530 HydrophobicContact CD2-CD1 3.88Å; F52-Y530 AromaticContact CD2-CE1 3.51Å; F52-Y530 HydrophobicContact CD2-CE1 3.51Å; F52-Y530 HydrophobicContact CE2-CE1 4.37Å; F52-Y530 AromaticContact CG-CD1 3.99Å; F52-Y530 HydrophobicContact CG-CD1 3.99Å; F52-Y530 AromaticContact CG-CE1 3.61Å; F52-Y530 HydrophobicContact CG-CE1 3.61Å; F52-Y530 HydrophobicContact CG-CE2 4.35Å; F52-Y530 AromaticContact CG-CZ 3.86Å; R82-Y530 PolarHBondContact NH1-OH 3.47Å; Y528-Y530 PolarHBondContact O-N 2.92Å; Y530-A534 VanDerWaalsContact O-CB 3.25Å; Y530-A534 WeakPolarHBondContact O-CB 3.41Å; Y530-A534 PolarHBondContact O-N 3.46Å; Y530-D543 VanDerWaalsContact CD1-CG 3.43Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.45Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.45Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.25Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.28Å; Y530-D543 PolarHBondContact N-OD1 3.09Å; Y530-N544 HydrophobicContact CD1-CB 4.46Å; Y530-N544 HydrophobicContact CD2-CB 3.38Å; Y530-N544 HydrophobicContact CE1-CB 4.34Å; Y530-N544 HydrophobicContact CE2-CB 3.23Å; Y530-N544 HydrophobicContact CG-CB 4.02Å; Y530-N545 WeakPolarHBondContact OH-CB 3.31Å; Y530-N545 PolarHBondContact OH-N 2.77Å
531Q93Very high94.7Very high1 Ų112 Ų121%0.0056%0.063CC..Hα-helixtrans-67.5-46.4179.3-73.2-173.9-13.700111.6E47 F48 Y51 Y509 Y528 G529 T533 A534 M535E47-Q531 PolarHBondContact O-NE2 2.84Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å; Y51-Q531 HydrophobicContact CD2-CG 3.79Å; Y51-Q531 HydrophobicContact CE2-CG 4.19Å; Y51-Q531 HydrophobicContact CG-CG 4.35Å; Y509-Q531 HydrophobicContact CE2-CB 4.02Å; Y509-Q531 PolarHBondContact OH-OE1 2.84Å; Y528-Q531 PolarHBondContact O-N 3.02Å; Y528-Q531 VanDerWaalsContact O-N 3.09Å; G529-Q531 VanDerWaalsContact C-N 3.34Å; G529-Q531 PolarHBondContact O-N 2.72Å; Q531-T533 VanDerWaalsContact C-N 3.31Å; Q531-T533 PolarHBondContact O-N 3.32Å; Q531-A534 PolarHBondContact O-N 3.49Å; Q531-M535 VanDerWaalsContact O-CB 3.3Å; Q531-M535 WeakPolarHBondContact O-CB 3.39Å; Q531-M535 PolarHBondContact O-N 2.96Å
532I94.9Very high94.6Very high0 Ų010.1 Ų10.10%06%0.055CC..Iπ-helixtrans-58.6-47.1177.3-66.4169.1000109.6Y509 L512 S524 Y528 G529 A534 A536 N537 I540 L579Y509-I532 HydrophobicContact CD1-CG1 4.24Å; Y509-I532 HydrophobicContact CE1-CG1 3.66Å; L512-I532 HydrophobicContact CD2-CG2 4.23Å; S524-I532 VanDerWaalsContact OG-CD1 3.25Å; S524-I532 WeakPolarHBondContact OG-CD1 3.22Å; Y528-I532 WeakPolarHBondContact O-CG1 3.41Å; Y528-I532 PolarHBondContact O-N 3.48Å; G529-I532 PolarHBondContact O-N 3.47Å; I532-A534 PolarHBondContact O-N 2.93Å; I532-A536 HydrophobicContact CG2-CB 4.13Å; I532-A536 CarbonylContact O-C 3.48Å; I532-A536 VanDerWaalsContact O-CA 3.32Å; I532-A536 WeakPolarHBondContact O-CA 3.31Å; I532-A536 VanDerWaalsContact O-CB 3.22Å; I532-A536 WeakPolarHBondContact O-CB 3.36Å; I532-A536 PolarHBondContact O-N 3.29Å; I532-N537 PolarHBondContact O-N 3.21Å; I532-I540 HydrophobicContact CB-CG2 4.01Å; I532-I540 HydrophobicContact CG2-CG2 3.61Å; I532-L579 HydrophobicContact CD1-CD1 4.32Å
533T93.6Very high94.2Very high6 Ų610.3 Ų10.34%0.0376%0.056CC..Iπ-helixtrans-68.3-36.2-177-450000112.4G529 Q531 N537 I540G529-T533 PolarHBondContact O-N 2.92Å; G529-T533 PolarHBondContact O-OG1 3.42Å; Q531-T533 VanDerWaalsContact C-N 3.31Å; Q531-T533 PolarHBondContact O-N 3.32Å; T533-N537 WeakPolarHBondContact O-CA 3.23Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.28Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.34Å
534A91.4Very high93.8Very high30 Ų3011.5 Ų11.525%0.2486%0.062CC..Iπ-helixtrans-78.4-36.7179.700000113.6Y51 Y530 Q531 I532Y51-A534 HydrophobicContact CD1-CB 3.66Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y530-A534 VanDerWaalsContact O-CB 3.25Å; Y530-A534 WeakPolarHBondContact O-CB 3.41Å; Y530-A534 PolarHBondContact O-N 3.46Å; Q531-A534 PolarHBondContact O-N 3.49Å; I532-A534 PolarHBondContact O-N 2.93Å
535M92.6Very high93.4Very high32 Ų3214.2 Ų14.216%0.1588%0.076CC..Iπ-helixtrans-96.8-55.2-175.5-64.8-147.816100113.4Y51 I488 R506 Y509 R513 Q531 N537Y51-M535 HydrophobicContact CD1-CE 4.4Å; Y51-M535 HydrophobicContact CE1-CE 3.32Å; Y51-M535 HydrophobicContact CE1-CG 4.26Å; Y51-M535 VanDerWaalsContact CZ-CE 3.44Å; Y51-M535 WeakPolarHBondContact OH-CE 3.37Å; I488-M535 HydrophobicContact CD1-CE 3.05Å; I488-M535 HydrophobicContact CD1-SD 3.58Å; I488-M535 VanDerWaalsContact CD1-SD 3.58Å; I488-M535 HydrophobicContact CG1-CE 4.47Å; R506-M535 HydrophobicContact CG-CE 4.49Å; R506-M535 HydrophobicContact CG-SD 4.09Å; Y509-M535 HydrophobicContact CD2-CB 3.97Å; Y509-M535 HydrophobicContact CD2-CG 4.29Å; Y509-M535 HydrophobicContact CD2-SD 3.82Å; Y509-M535 HydrophobicContact CG-CB 4.16Å; R513-M535 WeakPolarHBondContact CD-O 3.33Å; R513-M535 PolarHBondContact NH1-O 3.1Å; Q531-M535 VanDerWaalsContact O-CB 3.3Å; Q531-M535 WeakPolarHBondContact O-CB 3.39Å; Q531-M535 PolarHBondContact O-N 2.96Å; M535-N537 VanDerWaalsContact C-N 3.31Å
536A94.9Very high93Very high0 Ų015.9 Ų15.90%09%0.087CC..Iπ-helixtrans-76.1-23.5-17900000111.9Y509 L512 R513 I532 R538Y509-A536 WeakPolarHBondContact O-CA 3.45Å; Y509-A536 WeakPolarHBondContact O-CB 3.25Å; L512-A536 HydrophobicContact CB-CB 4.06Å; L512-A536 HydrophobicContact CD2-CB 3.58Å; L512-A536 HydrophobicContact CG-CB 4.06Å; R513-A536 WeakPolarHBondContact CA-O 3.35Å; R513-A536 VanDerWaalsContact CB-O 3.27Å; R513-A536 WeakPolarHBondContact CB-O 3.26Å; R513-A536 WeakPolarHBondContact CG-O 3.45Å; I532-A536 HydrophobicContact CG2-CB 4.13Å; I532-A536 CarbonylContact O-C 3.48Å; I532-A536 VanDerWaalsContact O-CA 3.32Å; I532-A536 WeakPolarHBondContact O-CA 3.31Å; I532-A536 VanDerWaalsContact O-CB 3.22Å; I532-A536 WeakPolarHBondContact O-CB 3.36Å; I532-A536 PolarHBondContact O-N 3.29Å; A536-R538 VanDerWaalsContact C-N 3.34Å; A536-R538 PolarHBondContact O-N 2.92Å
537N95.5Very high92.7Very high47 Ų4720.8 Ų20.825%0.25111%0.106SC..  trans54.349.3179.9-170.133.6000112.1R75 I532 T533 M535R75-N537 PolarHBondContact NH1-ND2 3.27Å; R75-N537 PolarHBondContact NH1-OD1 3.12Å; I532-N537 PolarHBondContact O-N 3.21Å; T533-N537 WeakPolarHBondContact O-CA 3.23Å; M535-N537 VanDerWaalsContact C-N 3.31Å
538R95.9Very high92.7Very high2 Ų221.5 Ų21.51%0.00811%0.11CC..  trans-124.8161.2177.3-68.4-62.6176.8-106.214.1111.4L512 R513 T516 P517 E518 V522 A536L512-R538 HydrophobicContact CG-CG 4.23Å; R513-R538 PolarHBondContact O-NH2 2.86Å; T516-R538 PolarHBondContact O-NH2 3.08Å; T516-R538 PolarHBondContact OG1-NE 2.85Å; P517-R538 PolarHBondContact O-NE 3.17Å; P517-R538 VanDerWaalsContact O-NE 3.08Å; E518-R538 IonicContact OE1-CZ 2.92Å; E518-R538 IonicContact OE1-NH1 2.74Å; E518-R538 PolarHBondContact OE1-NH1 3.43Å; E518-R538 IonicContact OE1-NH2 3.52Å; E518-R538 PolarHBondContact OE1-NH2 3.4Å; E518-R538 IonicContact OE2-CZ 2.72Å; E518-R538 IonicContact OE2-NH1 2.94Å; E518-R538 PolarHBondContact OE2-NH1 2.74Å; E518-R538 IonicContact OE2-NH2 3.37Å; V522-R538 HydrophobicContact CG2-CB 4.02Å; A536-R538 VanDerWaalsContact C-N 3.34Å; A536-R538 PolarHBondContact O-N 2.92Å
539T96.7Very high92.5Very high18 Ų1825 Ų2511%0.1113%0.129CC..EExtended strand (participates in β ladder)trans-74.1132.3-178.1-59.30000110.4R75 Y78 A520 K521 V522R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.26Å; R75-T539 WeakPolarHBondContact O-CA 3.32Å; Y78-T539 HydrophobicContact CD2-CG2 4.5Å; Y78-T539 HydrophobicContact CG-CG2 4.4Å; A520-T539 PolarHBondContact O-N 3.46Å; K521-T539 WeakPolarHBondContact CA-O 3.1Å; K521-T539 HydrophobicContact CG-CG2 4.16Å; V522-T539 PolarHBondContact N-O 2.97Å
540I96.6Very high92.4Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-115.2151.9-179.261.1165.2000112R75 A76 W77 Y78 G529 I532 T533 V542 D543R75-I540 PolarHBondContact O-N 3.4Å; A76-I540 HydrophobicContact CB-CD1 4.3Å; A76-I540 HydrophobicContact CB-CG1 4.18Å; W77-I540 PolarHBondContact N-O 3.02Å; W77-I540 VanDerWaalsContact N-O 3.16Å; Y78-I540 PolarHBondContact N-O 3.33Å; G529-I540 WeakPolarHBondContact O-CD1 3.26Å; I532-I540 HydrophobicContact CB-CG2 4.01Å; I532-I540 HydrophobicContact CG2-CG2 3.61Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.28Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.34Å; I540-V542 WeakPolarHBondContact CD1-O 3.43Å; I540-D543 HydrophobicContact CD1-CB 3.85Å
541L95.1Very high92.4Very high1 Ų129.2 Ų29.21%0.00516%0.155CC..SBendtrans-88-41.4178.8-80.372.2000112.8W77 K521 M523 H551 L573 V575W77-L541 WeakPolarHBondContact CA-O 3.41Å; K521-L541 HydrophobicContact CB-CD1 4.14Å; M523-L541 HydrophobicContact CB-CD2 4.47Å; M523-L541 HydrophobicContact CG-CD2 4.48Å; L541-H551 PolarHBondContact O-CD2 2.92Å; L541-H551 PolarHBondContact O-NE2 2.85Å; L541-H551 VanDerWaalsContact O-NE2 3.09Å; L541-L573 HydrophobicContact CD2-CB 3.76Å; L541-L573 HydrophobicContact CD2-CD1 3.93Å; L541-L573 HydrophobicContact CD2-CG 4.42Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å
542V94Very high92.4Very high1 Ų129.1 Ų29.11%0.00616%0.155CC..  trans-130.5152.4-177.5-69.40000110.1S524 W526 I540 I552 V555S524-V542 WeakPolarHBondContact O-CG2 3.34Å; W526-V542 HydrophobicContact CB-CB 4.48Å; W526-V542 HydrophobicContact CB-CG2 4.39Å; I540-V542 WeakPolarHBondContact CD1-O 3.43Å; V542-I552 HydrophobicContact CB-CG1 4.38Å; V542-I552 HydrophobicContact CG1-CG1 4.04Å; V542-V555 HydrophobicContact CB-CG2 4.49Å; V542-V555 HydrophobicContact CG1-CB 4.2Å; V542-V555 HydrophobicContact CG1-CG2 3.51Å; V542-V555 HydrophobicContact CG2-CG1 4.29Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å
543D89.9Confident92.4Very high3 Ų329.1 Ų29.12%0.01616%0.155CC..  trans-145.5164.3-168.7-160.712.4000112.3W77 R82 W526 Y530 I540 N545 T546W77-D543 HydrophobicContact CZ2-CB 4.03Å; R82-D543 IonicContact NH1-OD2 3.54Å; W526-D543 CarbonylContact O-C 3.59Å; Y530-D543 VanDerWaalsContact CD1-CG 3.43Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.45Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.45Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.25Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.28Å; Y530-D543 PolarHBondContact N-OD1 3.09Å; I540-D543 HydrophobicContact CD1-CB 3.85Å; D543-N545 PolarHBondContact O-N 3.06Å; D543-N545 VanDerWaalsContact O-N 3.08Å; D543-T546 PolarHBondContact O-N 2.93Å
544N89.7Confident92.4Very high25 Ų2531.5 Ų31.513%0.13416%0.163CC..THydrogen-bonded Turntrans-67-16.4-169.8-134.46.3000114.1D49 W526 Y530 T546D49-N544 PolarHBondContact OD1-ND2 2.74Å; W526-N544 WeakPolarHBondContact CZ3-OD1 3.48Å; W526-N544 PolarHBondContact O-N 3.28Å; Y530-N544 HydrophobicContact CD1-CB 4.46Å; Y530-N544 HydrophobicContact CD2-CB 3.38Å; Y530-N544 HydrophobicContact CE1-CB 4.34Å; Y530-N544 HydrophobicContact CE2-CB 3.23Å; Y530-N544 HydrophobicContact CG-CB 4.02Å; N544-T546 PolarHBondContact O-N 3.01Å
545N86.4Confident92.6Very high58 Ų5830.1 Ų30.131%0.3115%0.151SC..THydrogen-bonded Turntrans-68.8-19.9-180-166.341.8000113.9R82 Y530 D543 W547R82-N545 PolarHBondContact NH2-ND2 3.24Å; Y530-N545 WeakPolarHBondContact OH-CB 3.31Å; Y530-N545 PolarHBondContact OH-N 2.77Å; D543-N545 PolarHBondContact O-N 3.06Å; D543-N545 VanDerWaalsContact O-N 3.08Å; N545-W547 PolarHBondContact O-N 3.08Å
546T87.7Confident92.7Very high42 Ų4228.6 Ų28.626%0.25814%0.144SC..  trans49.532.7176.463.70000116.6I345 W526 D543 N544 N548 N549 I552I345-T546 HydrophobicContact CD1-CG2 3.79Å; I345-T546 HydrophobicContact CG1-CG2 4.36Å; W526-T546 HydrophobicContact CD2-CG2 3.89Å; W526-T546 HydrophobicContact CE3-CG2 3.67Å; W526-T546 HydrophobicContact CG-CG2 4.33Å; W526-T546 HydrophobicContact CZ3-CG2 4.16Å; D543-T546 PolarHBondContact O-N 2.93Å; N544-T546 PolarHBondContact O-N 3.01Å; T546-N548 PolarHBondContact O-N 3.38Å; T546-N549 PolarHBondContact O-OD1 3.27Å; T546-I552 HydrophobicContact CG2-CD1 3.67Å
547W87.1Confident92.7Very high128 Ų12828.6 Ų28.649%0.48514%0.144SC..  trans-74.8-25.1-175.472.5-88.8000114.2W77 L80 N545W77-W547 AromaticContact CD1-NE1 3.65Å; W77-W547 AromaticContact CD2-CD1 3.86Å; W77-W547 AromaticContact CD2-CE2 3.96Å; W77-W547 HydrophobicContact CD2-CZ2 4.38Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.3Å; W77-W547 AromaticContact CE2-NE1 3.09Å; W77-W547 HydrophobicContact CE3-CZ2 4.32Å; W77-W547 AromaticContact CE3-NE1 3.64Å; W77-W547 AromaticContact CG-NE1 3.52Å; W77-W547 AromaticContact CH2-CD1 3.88Å; W77-W547 AromaticContact CZ2-CD1 3.34Å; W77-W547 HydrophobicContact CZ2-CG 4.3Å; W77-W547 AromaticContact CZ2-NE1 3.58Å; W77-W547 AromaticContact NE1-CD1 3.63Å; W77-W547 AromaticContact NE1-NE1 3.38Å; L80-W547 HydrophobicContact CD1-CH2 3.91Å; L80-W547 HydrophobicContact CD1-CZ2 3.91Å; N545-W547 PolarHBondContact O-N 3.08Å
548N90.6Very high92.7Very high37 Ų3726.3 Ų26.320%0.19813%0.132CC..  trans-12096.4177.2-174.3-10.4000111.2W77 L80 T546 T550 H551 I552W77-N548 HydrophobicContact CE3-CB 4.4Å; W77-N548 HydrophobicContact CH2-CB 4.4Å; W77-N548 HydrophobicContact CZ3-CB 3.79Å; L80-N548 WeakPolarHBondContact CD1-ND2 3.28Å; T546-N548 PolarHBondContact O-N 3.38Å; N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 3.33Å; N548-T550 PolarHBondContact OD1-N 3.49Å; N548-H551 HydrophobicContact CB-CB 4.33Å; N548-H551 PolarHBondContact O-N 3.38Å; N548-H551 PolarHBondContact OD1-N 3.41Å; N548-I552 PolarHBondContact O-N 3.47Å
549N89.1Confident92.7Very high75 Ų7526.3 Ų26.340%0.40113%0.132SC..Hα-helixtrans-64.4-31.9-178.6-66.6-26.6000113.2T546 H551 I552 S553T546-N549 PolarHBondContact O-OD1 3.27Å; N549-H551 VanDerWaalsContact C-N 3.31Å; N549-H551 PolarHBondContact O-N 2.8Å; N549-I552 PolarHBondContact O-N 3.1Å; N549-S553 VanDerWaalsContact O-CB 3.28Å; N549-S553 WeakPolarHBondContact O-CB 3.45Å; N549-S553 PolarHBondContact O-N 3.22Å
550T91.1Very high92.7Very high88 Ų8825.6 Ų25.654%0.5413%0.128SC..Hα-helixtrans-65.4-38.9-180-52.50000110.9N548 S553 R554N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 3.33Å; N548-T550 PolarHBondContact OD1-N 3.49Å; T550-S553 WeakPolarHBondContact O-CB 3.31Å; T550-S553 PolarHBondContact O-N 2.8Å; T550-R554 PolarHBondContact O-N 3Å
551H93.5Very high92.7Very high19 Ų1926 Ų269%0.08813%0.13CC..Hα-helixtrans-68.9-41.6178.2-156.260.8000112W77 Y78 L541 N548 N549 S553 R554 V555W77-H551 HydrophobicContact CE3-CB 4.47Å; W77-H551 AromaticContact CE3-CD2 3.88Å; W77-H551 HydrophobicContact CZ3-CB 4.07Å; Y78-H551 PolarHBondContact O-NE2 2.9Å; L541-H551 PolarHBondContact O-CD2 2.92Å; L541-H551 PolarHBondContact O-NE2 2.85Å; L541-H551 VanDerWaalsContact O-NE2 3.09Å; N548-H551 HydrophobicContact CB-CB 4.33Å; N548-H551 PolarHBondContact O-N 3.38Å; N548-H551 PolarHBondContact OD1-N 3.41Å; N549-H551 VanDerWaalsContact C-N 3.31Å; N549-H551 PolarHBondContact O-N 2.8Å; H551-S553 VanDerWaalsContact C-N 3.32Å; H551-S553 PolarHBondContact O-N 2.85Å; H551-R554 WeakPolarHBondContact O-CB 3.42Å; H551-R554 PolarHBondContact O-N 2.89Å; H551-R554 VanDerWaalsContact O-N 3.17Å; H551-V555 PolarHBondContact O-N 3.49Å; H551-V555 VanDerWaalsContact O-N 3.14Å
552I94Very high92.7Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-64.2-40.3173.8-61.9175.5000110.8W77 I345 W525 W526 V542 T546 N548 N549 R554 V555 G556 I602W77-I552 HydrophobicContact CH2-CD1 4.05Å; W77-I552 HydrophobicContact CH2-CG1 4.12Å; W77-I552 HydrophobicContact CZ3-CG1 4.44Å; I345-I552 HydrophobicContact CD1-CD1 3.74Å; I345-I552 HydrophobicContact CD1-CG2 4.47Å; W525-I552 HydrophobicContact CH2-CG2 4.17Å; W525-I552 HydrophobicContact CZ3-CG2 4.36Å; W526-I552 HydrophobicContact CB-CD1 4.4Å; V542-I552 HydrophobicContact CB-CG1 4.38Å; V542-I552 HydrophobicContact CG1-CG1 4.04Å; T546-I552 HydrophobicContact CG2-CD1 3.67Å; N548-I552 PolarHBondContact O-N 3.47Å; N549-I552 PolarHBondContact O-N 3.1Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.89Å; I552-V555 PolarHBondContact O-N 3.14Å; I552-G556 PolarHBondContact O-N 3.4Å; I552-I602 HydrophobicContact CG2-CG2 4Å
553S93.9Very high92.7Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-59.3-39.8173.8-171.70000111.5N549 T550 H551 G556 Q557 I602 G603 T606N549-S553 VanDerWaalsContact O-CB 3.28Å; N549-S553 WeakPolarHBondContact O-CB 3.45Å; N549-S553 PolarHBondContact O-N 3.22Å; T550-S553 WeakPolarHBondContact O-CB 3.31Å; T550-S553 PolarHBondContact O-N 2.8Å; H551-S553 VanDerWaalsContact C-N 3.32Å; H551-S553 PolarHBondContact O-N 2.85Å; S553-G556 CarbonylContact O-C 3.59Å; S553-G556 PolarHBondContact O-N 3.23Å; S553-Q557 VanDerWaalsContact O-CG 3.28Å; S553-Q557 WeakPolarHBondContact O-CG 3.46Å; S553-Q557 PolarHBondContact O-N 2.84Å; S553-Q557 PolarHBondContact OG-NE2 3.31Å; S553-I602 WeakPolarHBondContact CB-O 3.22Å; S553-I602 PolarHBondContact OG-O 3.4Å; S553-G603 PolarHBondContact OG-O 3.14Å; S553-G603 VanDerWaalsContact OG-O 3.07Å; S553-T606 VanDerWaalsContact CB-CG2 3.48Å; S553-T606 VanDerWaalsContact OG-CG2 3.24Å; S553-T606 WeakPolarHBondContact OG-CG2 3.34Å; S553-T606 PolarHBondContact OG-OG1 3.46Å
554R95.1Very high92.8Very high56 Ų5635.1 Ų35.121%0.21118%0.177CC..Hα-helixtrans-63.8-41.3176.5-164.260.7169.1164.9-1.4112.6T550 H551 I552 Q557 A558 I569 E572 L573T550-R554 PolarHBondContact O-N 3Å; H551-R554 WeakPolarHBondContact O-CB 3.42Å; H551-R554 PolarHBondContact O-N 2.89Å; H551-R554 VanDerWaalsContact O-N 3.17Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.89Å; R554-Q557 WeakPolarHBondContact O-CB 3.39Å; R554-Q557 PolarHBondContact O-N 2.85Å; R554-A558 PolarHBondContact O-N 3.41Å; R554-A558 VanDerWaalsContact O-N 3.07Å; R554-I569 HydrophobicContact CG-CG2 3.85Å; R554-E572 IonicContact CZ-OE2 2.7Å; R554-E572 IonicContact NE-OE2 3.72Å; R554-E572 PolarHBondContact NE-OE2 3.4Å; R554-E572 IonicContact NH2-OE2 3.45Å; R554-E572 PolarHBondContact NH2-OE2 3.4Å; R554-L573 HydrophobicContact CG-CD1 4.08Å
555V95.3Very high93Very high0 Ų038.6 Ų38.60%019%0.191CC..Hα-helixtrans-65.6-42.2172.3174.20000111.3M523 V542 H551 I552 Q557 A558 M559M523-V555 HydrophobicContact CG-CG1 4.02Å; M523-V555 HydrophobicContact CG-CG2 4.45Å; M523-V555 HydrophobicContact SD-CG1 4.25Å; M523-V555 HydrophobicContact SD-CG2 4.5Å; V542-V555 HydrophobicContact CB-CG2 4.49Å; V542-V555 HydrophobicContact CG1-CB 4.2Å; V542-V555 HydrophobicContact CG1-CG2 3.51Å; V542-V555 HydrophobicContact CG2-CG1 4.29Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å; H551-V555 PolarHBondContact O-N 3.49Å; H551-V555 VanDerWaalsContact O-N 3.14Å; I552-V555 PolarHBondContact O-N 3.14Å; V555-Q557 VanDerWaalsContact C-N 3.29Å; V555-Q557 PolarHBondContact O-N 3.39Å; V555-A558 PolarHBondContact O-N 3.3Å; V555-M559 HydrophobicContact CG1-CE 4.47Å; V555-M559 HydrophobicContact CG1-CG 4.35Å; V555-M559 WeakPolarHBondContact O-CG 3.14Å; V555-M559 PolarHBondContact O-N 2.85Å
556G95.1Very high93.4Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-59.4-38.6174.100000112.8I552 S553 M559 A560I552-G556 PolarHBondContact O-N 3.4Å; S553-G556 CarbonylContact O-C 3.59Å; S553-G556 PolarHBondContact O-N 3.23Å; G556-M559 PolarHBondContact O-N 2.83Å; G556-A560 WeakPolarHBondContact O-CB 3.48Å; G556-A560 PolarHBondContact O-N 3.07Å
557Q95Very high93.8Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-63.2-45.1173.8-72.1165.625.700111.9S553 R554 V555 A560 S561 I569 G603 T606 T608 G609 I612S553-Q557 VanDerWaalsContact O-CG 3.28Å; S553-Q557 WeakPolarHBondContact O-CG 3.46Å; S553-Q557 PolarHBondContact O-N 2.84Å; S553-Q557 PolarHBondContact OG-NE2 3.31Å; R554-Q557 WeakPolarHBondContact O-CB 3.39Å; R554-Q557 PolarHBondContact O-N 2.85Å; V555-Q557 VanDerWaalsContact C-N 3.29Å; V555-Q557 PolarHBondContact O-N 3.39Å; Q557-A560 PolarHBondContact O-N 2.98Å; Q557-S561 WeakPolarHBondContact O-CB 3.43Å; Q557-S561 PolarHBondContact O-N 2.8Å; Q557-S561 VanDerWaalsContact O-N 3.1Å; Q557-S561 PolarHBondContact O-OG 2.88Å; Q557-I569 HydrophobicContact CB-CD1 3.97Å; Q557-G603 WeakPolarHBondContact CG-O 3.47Å; Q557-G603 PolarHBondContact NE2-O 3.05Å; Q557-G603 VanDerWaalsContact NE2-O 3.11Å; Q557-T606 PolarHBondContact NE2-OG1 2.73Å; Q557-T608 PolarHBondContact NE2-OG1 3.02Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.07Å; Q557-G609 VanDerWaalsContact NE2-CA 3.28Å; Q557-G609 VanDerWaalsContact NE2-N 3.18Å; Q557-I612 HydrophobicContact CB-CD1 3.93Å; Q557-I612 HydrophobicContact CG-CD1 3.72Å
558A95.7Very high94.2Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-59.9-46.6175.700000111.3M523 R554 V555 A560 A566 I569M523-A558 HydrophobicContact CE-CB 4.27Å; M523-A558 HydrophobicContact SD-CB 4.21Å; R554-A558 PolarHBondContact O-N 3.41Å; R554-A558 VanDerWaalsContact O-N 3.07Å; V555-A558 PolarHBondContact O-N 3.3Å; A558-A560 VanDerWaalsContact C-N 3.34Å; A558-A560 PolarHBondContact O-N 2.87Å; A558-A566 WeakPolarHBondContact O-CB 3.49Å; A558-I569 HydrophobicContact CB-CB 4.16Å; A558-I569 HydrophobicContact CB-CD1 4.36Å; A558-I569 HydrophobicContact CB-CG2 3.91Å
559M96.1Very high94.4Very high2 Ų233.8 Ų33.81%0.0117%0.167CC..Hα-helixtrans-67.6-31.4-179-66-61.6-171.300113.5M523 V555 G556 V578 M599 C637 M639 M642M523-M559 HydrophobicContact CE-CE 3.85Å; M523-M559 HydrophobicContact CE-SD 4.24Å; M523-M559 HydrophobicContact CG-CE 4.07Å; M523-M559 HydrophobicContact SD-CE 4.47Å; V555-M559 HydrophobicContact CG1-CE 4.47Å; V555-M559 HydrophobicContact CG1-CG 4.35Å; V555-M559 WeakPolarHBondContact O-CG 3.14Å; V555-M559 PolarHBondContact O-N 2.85Å; G556-M559 PolarHBondContact O-N 2.83Å; M559-V578 HydrophobicContact CE-CG1 3.83Å; M559-V578 HydrophobicContact SD-CG1 4.4Å; M559-M599 HydrophobicContact CB-SD 3.98Å; M559-M599 HydrophobicContact CG-SD 4.28Å; M559-C637 PolarHBondContact O-SG 3.11Å; M559-M639 HydrophobicContact CB-CE 3.99Å; M559-M639 HydrophobicContact CG-CE 4.04Å; M559-M639 VanDerWaalsContact O-CB 3.27Å; M559-M639 WeakPolarHBondContact O-CB 3.43Å; M559-M639 PolarHBondContact O-N 3.22Å; M559-M639 HydrophobicContact SD-CE 3.68Å; M559-M642 HydrophobicContact SD-CE 3.62Å
560A95.9Very high94.8Very high2 Ų230.2 Ų30.22%0.01715%0.148CC..Hα-helixtrans-96.2-5.5-17500000115.1G556 Q557 A558 F596 V600 I612 Y617 C637G556-A560 WeakPolarHBondContact O-CB 3.48Å; G556-A560 PolarHBondContact O-N 3.07Å; Q557-A560 PolarHBondContact O-N 2.98Å; A558-A560 VanDerWaalsContact C-N 3.34Å; A558-A560 PolarHBondContact O-N 2.87Å; A560-F596 HydrophobicContact CB-CE2 4.01Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; A560-V600 HydrophobicContact CB-CG2 3.93Å; A560-I612 HydrophobicContact CB-CD1 4.22Å; A560-Y617 PolarHBondContact O-OH 3.33Å; A560-C637 VanDerWaalsContact C-SG 3.51Å; A560-C637 VanDerWaalsContact CA-SG 3.58Å; A560-C637 PolarHBondContact O-SG 3.5Å
561S95.5Very high94.9Very high8 Ų830.1 Ų30.16%0.05614%0.138CC..SBendtrans-95.1175.4-177.1-630000113.2Q557 L638Q557-S561 WeakPolarHBondContact O-CB 3.43Å; Q557-S561 PolarHBondContact O-N 2.8Å; Q557-S561 VanDerWaalsContact O-N 3.1Å; Q557-S561 PolarHBondContact O-OG 2.88Å; S561-L638 WeakPolarHBondContact O-CB 3.49Å; S561-L638 PolarHBondContact O-N 2.94Å
562T95.7Very high95Very high65 Ų6534.9 Ų34.940%0.39916%0.16SC..  trans-66.8160167.757.30000111.1E564 K565 A566T562-E564 VanDerWaalsContact C-N 3.29Å; T562-E564 PolarHBondContact O-N 3.37Å; T562-K565 PolarHBondContact O-N 3.41Å; T562-A566 VanDerWaalsContact O-CB 3.29Å; T562-A566 WeakPolarHBondContact O-CB 3.39Å; T562-A566 PolarHBondContact O-N 2.67Å
563E93.9Very high95.1Very high8 Ų835.5 Ų35.54%0.03716%0.164CC..Hα-helixtrans-52.9-42.2-179.9-81.5-174.5-13100113.6A566 Y567 L638 K641 D676 V677E563-A566 PolarHBondContact O-N 3.4Å; E563-Y567 WeakPolarHBondContact O-CB 3.37Å; E563-Y567 PolarHBondContact O-N 3.16Å; E563-L638 HydrophobicContact CG-CD1 3.7Å; E563-K641 HydrophobicContact CG-CD 4.26Å; E563-K641 WeakPolarHBondContact OE1-CD 3.31Å; E563-K641 WeakPolarHBondContact OE1-CE 3.35Å; E563-K641 IonicContact OE1-NZ 3.72Å; E563-K641 PolarHBondContact OE1-NZ 2.88Å; E563-D676 PolarHBondContact OE2-N 2.85Å; E563-V677 HydrophobicContact CB-CG2 4.05Å; E563-V677 HydrophobicContact CG-CG2 4.2Å; E563-V677 PolarHBondContact OE2-N 3.31Å
564E93.3Very high95.2Very high125 Ų12539.2 Ų39.258%0.58418%0.184SC*.Hα-helixtrans-57.7-55.7-179.3-172.4-173.4176.800112.2T562 Y567 E568 T705T562-E564 VanDerWaalsContact C-N 3.29Å; T562-E564 PolarHBondContact O-N 3.37Å; E564-Y567 PolarHBondContact O-N 3.08Å; E564-E568 PolarHBondContact O-N 3.37Å; E564-E568 VanDerWaalsContact O-N 3.16Å; E564-T705 HydrophobicContact CB-CG2 4.07Å; E564-T705 HydrophobicContact CG-CG2 4.45Å
565K93.5Very high95.2Very high97 Ų9736.9 Ų36.942%0.42218%0.175SC..Hα-helixtrans-68-39.3-179.8-68.7-176.2178.4-179.30111.8T562 Y567 E568 I569T562-K565 PolarHBondContact O-N 3.41Å; K565-Y567 VanDerWaalsContact C-N 3.31Å; K565-Y567 PolarHBondContact O-N 3.37Å; K565-E568 WeakPolarHBondContact O-CB 3.46Å; K565-E568 PolarHBondContact O-N 3.07Å; K565-I569 WeakPolarHBondContact O-CG1 3.48Å; K565-I569 PolarHBondContact O-N 2.89Å
566A95.5Very high95.3Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-66.6-37.1179.100000111.5A558 T562 E563 I569 M570 L638A558-A566 WeakPolarHBondContact O-CB 3.49Å; T562-A566 VanDerWaalsContact O-CB 3.29Å; T562-A566 WeakPolarHBondContact O-CB 3.39Å; T562-A566 PolarHBondContact O-N 2.67Å; E563-A566 PolarHBondContact O-N 3.4Å; A566-I569 PolarHBondContact O-N 3.06Å; A566-M570 HydrophobicContact CB-CE 4.43Å; A566-M570 WeakPolarHBondContact O-CB 3.48Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.19Å; A566-M570 PolarHBondContact O-N 2.87Å; A566-L638 HydrophobicContact CB-CB 4.24Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.34Å
567Y95.9Very high95.5Very high28 Ų2840 Ų4011%0.1119%0.194CC..Hα-helixtrans-64-42.2175.2-177-109.9000112E563 E564 K565 I569 M570 R571 V677 V694 K695 D696 L697E563-Y567 WeakPolarHBondContact O-CB 3.37Å; E563-Y567 PolarHBondContact O-N 3.16Å; E564-Y567 PolarHBondContact O-N 3.08Å; K565-Y567 VanDerWaalsContact C-N 3.31Å; K565-Y567 PolarHBondContact O-N 3.37Å; Y567-I569 VanDerWaalsContact C-N 3.32Å; Y567-I569 PolarHBondContact O-N 3.46Å; Y567-M570 HydrophobicContact CD2-CE 4.49Å; Y567-M570 PolarHBondContact O-N 2.7Å; Y567-R571 HydrophobicContact CD1-CG 4.18Å; Y567-R571 HydrophobicContact CD2-CG 4.21Å; Y567-R571 HydrophobicContact CE1-CG 3.85Å; Y567-R571 HydrophobicContact CE2-CG 3.9Å; Y567-R571 HydrophobicContact CG-CG 4.36Å; Y567-R571 WeakPolarHBondContact O-CB 3.44Å; Y567-R571 VanDerWaalsContact O-CG 3.27Å; Y567-R571 WeakPolarHBondContact O-CG 3.22Å; Y567-R571 PolarHBondContact O-N 3.43Å; Y567-V677 HydrophobicContact CD1-CG1 4.27Å; Y567-V677 HydrophobicContact CD2-CB 3.55Å; Y567-V677 HydrophobicContact CD2-CG1 4.06Å; Y567-V677 HydrophobicContact CD2-CG2 4.05Å; Y567-V677 HydrophobicContact CE2-CB 4.09Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.85Å; Y567-V677 HydrophobicContact CG-CG2 4.28Å; Y567-V694 HydrophobicContact CD2-CG1 3.99Å; Y567-V694 HydrophobicContact CE2-CG1 3.7Å; Y567-K695 WeakPolarHBondContact CE2-O 3.44Å; Y567-K695 PolarHBondContact OH-O 2.87Å; Y567-K695 VanDerWaalsContact OH-O 3.06Å; Y567-D696 PolarHBondContact OH-O 3Å; Y567-L697 HydrophobicContact CE1-CD2 4.19Å; Y567-L697 PolarHBondContact OH-N 3.09Å
568E94.8Very high95.6Very high131 Ų13140 Ų4061%0.61219%0.194SC*.Hα-helixtrans-54.5-48.6172.5-172.9-174.4175.800111.4E564 K565 R571 E572E564-E568 PolarHBondContact O-N 3.37Å; E564-E568 VanDerWaalsContact O-N 3.16Å; K565-E568 WeakPolarHBondContact O-CB 3.46Å; K565-E568 PolarHBondContact O-N 3.07Å; E568-R571 PolarHBondContact O-N 3.13Å; E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 PolarHBondContact O-N 3.4Å
569I95.3Very high95.7Very high5 Ų540 Ų403%0.02619%0.194CC..Hα-helixtrans-64.7-43.9178.5-60.2173.6000111.6R554 Q557 A558 K565 A566 Y567 R571 E572 L573R554-I569 HydrophobicContact CG-CG2 3.85Å; Q557-I569 HydrophobicContact CB-CD1 3.97Å; A558-I569 HydrophobicContact CB-CB 4.16Å; A558-I569 HydrophobicContact CB-CD1 4.36Å; A558-I569 HydrophobicContact CB-CG2 3.91Å; K565-I569 WeakPolarHBondContact O-CG1 3.48Å; K565-I569 PolarHBondContact O-N 2.89Å; A566-I569 PolarHBondContact O-N 3.06Å; Y567-I569 VanDerWaalsContact C-N 3.32Å; Y567-I569 PolarHBondContact O-N 3.46Å; I569-R571 VanDerWaalsContact C-N 3.28Å; I569-R571 PolarHBondContact O-N 2.86Å; I569-E572 PolarHBondContact O-N 3.33Å; I569-L573 HydrophobicContact CG2-CD1 3.94Å; I569-L573 WeakPolarHBondContact O-CG 3.33Å; I569-L573 PolarHBondContact O-N 2.72Å
570M96.3Very high95.8Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-62.1-37.5178.3-75.5-173.8-67.200111.6M523 A566 Y567 D574 V575 V578 L638 L678 V694M523-M570 HydrophobicContact CE-CG 3.61Å; M523-M570 HydrophobicContact CE-SD 3.62Å; M523-M570 HydrophobicContact SD-CG 4.23Å; A566-M570 HydrophobicContact CB-CE 4.43Å; A566-M570 WeakPolarHBondContact O-CB 3.48Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.19Å; A566-M570 PolarHBondContact O-N 2.87Å; Y567-M570 HydrophobicContact CD2-CE 4.49Å; Y567-M570 PolarHBondContact O-N 2.7Å; M570-D574 PolarHBondContact O-N 3.47Å; M570-V575 HydrophobicContact CB-CB 4.12Å; M570-V575 HydrophobicContact CB-CG2 4.39Å; M570-V575 HydrophobicContact CG-CB 4.39Å; M570-V575 HydrophobicContact CG-CG2 4.47Å; M570-V575 WeakPolarHBondContact O-CB 3.25Å; M570-V575 PolarHBondContact O-N 3.43Å; M570-V578 HydrophobicContact SD-CG2 3.6Å; M570-V578 VanDerWaalsContact SD-CG2 3.6Å; M570-L638 HydrophobicContact CE-CD2 4.15Å; M570-L638 HydrophobicContact SD-CD2 4.49Å; M570-L678 HydrophobicContact CE-CD2 4.07Å; M570-L678 HydrophobicContact SD-CD2 4.38Å; M570-V694 HydrophobicContact SD-CG2 3.92Å
571R94.7Very high95.8Very high86 Ų8639.8 Ų39.833%0.32519%0.193SC..Hα-helixtrans-72.4-39.8175.5-67.3-56.9-59.6-167.12.3112.3Y567 E568 I569 L573 D574 D696Y567-R571 HydrophobicContact CD1-CG 4.18Å; Y567-R571 HydrophobicContact CD2-CG 4.21Å; Y567-R571 HydrophobicContact CE1-CG 3.85Å; Y567-R571 HydrophobicContact CE2-CG 3.9Å; Y567-R571 HydrophobicContact CG-CG 4.36Å; Y567-R571 WeakPolarHBondContact O-CB 3.44Å; Y567-R571 VanDerWaalsContact O-CG 3.27Å; Y567-R571 WeakPolarHBondContact O-CG 3.22Å; Y567-R571 PolarHBondContact O-N 3.43Å; E568-R571 PolarHBondContact O-N 3.13Å; I569-R571 VanDerWaalsContact C-N 3.28Å; I569-R571 PolarHBondContact O-N 2.86Å; R571-L573 PolarHBondContact O-N 2.98Å; R571-D574 PolarHBondContact O-N 2.96Å; R571-D696 IonicContact NH1-OD1 2.68Å
572E94.9Very high95.8Very high119 Ų11939.4 Ų39.456%0.55619%0.19SC*.Hα-helixtrans-57.5-37.1174.1-176.2-170.9176.600111.9R554 E568 I569R554-E572 IonicContact CZ-OE2 2.7Å; R554-E572 IonicContact NE-OE2 3.72Å; R554-E572 PolarHBondContact NE-OE2 3.4Å; R554-E572 IonicContact NH2-OE2 3.45Å; R554-E572 PolarHBondContact NH2-OE2 3.4Å; E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 PolarHBondContact O-N 3.4Å; I569-E572 PolarHBondContact O-N 3.33Å
573L95Very high95.7Very high14 Ų1436.3 Ų36.37%0.07317%0.171CC..THydrogen-bonded Turntrans-94.711.1-179.1-60.7174.4000113.7Y78 L541 R554 I569 R571 V575Y78-L573 VanDerWaalsContact CE1-O 3.26Å; Y78-L573 WeakPolarHBondContact CE1-O 3.22Å; L541-L573 HydrophobicContact CD2-CB 3.76Å; L541-L573 HydrophobicContact CD2-CD1 3.93Å; L541-L573 HydrophobicContact CD2-CG 4.42Å; R554-L573 HydrophobicContact CG-CD1 4.08Å; I569-L573 HydrophobicContact CG2-CD1 3.94Å; I569-L573 WeakPolarHBondContact O-CG 3.33Å; I569-L573 PolarHBondContact O-N 2.72Å; R571-L573 PolarHBondContact O-N 2.98Å; L573-V575 VanDerWaalsContact C-N 3.25Å; L573-V575 HydrophobicContact CB-CG2 4.1Å; L573-V575 PolarHBondContact O-N 2.88Å
574D95.9Very high95.6Very high78 Ų7836 Ų3642%0.41717%0.169SC..THydrogen-bonded Turntrans48.638.6-176.9-63.4-43.4000114.8Y78 K521 M570 R571 S576Y78-D574 HydrophobicContact CE1-CB 4.08Å; Y78-D574 PolarHBondContact OH-OD2 3.43Å; K521-D574 HydrophobicContact CD-CB 4Å; K521-D574 WeakPolarHBondContact CD-O 3.5Å; K521-D574 IonicContact NZ-OD2 3.75Å; M570-D574 PolarHBondContact O-N 3.47Å; R571-D574 PolarHBondContact O-N 2.96Å; D574-S576 PolarHBondContact O-N 2.97Å
575V96.8Very high95.4Very high6 Ų632 Ų324%0.03615%0.152CC..  trans-68.8131.2-179.6179.20000110.5M523 L541 M570 L573 Y577 V578 V694M523-V575 HydrophobicContact CB-CG1 3.61Å; M523-V575 HydrophobicContact CB-CG2 4.02Å; M523-V575 HydrophobicContact SD-CG2 4.21Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å; M570-V575 HydrophobicContact CB-CB 4.12Å; M570-V575 HydrophobicContact CB-CG2 4.39Å; M570-V575 HydrophobicContact CG-CB 4.39Å; M570-V575 HydrophobicContact CG-CG2 4.47Å; M570-V575 WeakPolarHBondContact O-CB 3.25Å; M570-V575 PolarHBondContact O-N 3.43Å; L573-V575 VanDerWaalsContact C-N 3.25Å; L573-V575 HydrophobicContact CB-CG2 4.1Å; L573-V575 PolarHBondContact O-N 2.88Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.38Å; V575-V578 HydrophobicContact CG1-CG2 4.13Å; V575-V694 HydrophobicContact CB-CG2 4.43Å; V575-V694 HydrophobicContact CG1-CG2 4Å
576S97.1Very high95.1Very high43 Ų4329 Ų2930%0.30114%0.142SC..  trans-99.1-43.4176-45.50000112.1K521 D574 V694K521-S576 PolarHBondContact N-OG 3.4Å; K521-S576 PolarHBondContact O-N 3.43Å; D574-S576 PolarHBondContact O-N 2.97Å; S576-V694 PolarHBondContact O-N 2.91Å
577Y98.1Very high94.8Very high23 Ų2330.9 Ų30.99%0.0916%0.161CC..EExtended strand (participates in β ladder)trans-129.3148.4-179.2-64.2-88.6000111.2W511 T516 A520 K521 V522 M523 V575 A681 I691 Y692 K693W511-Y577 HydrophobicContact CH2-CE1 4.36Å; T516-Y577 HydrophobicContact CG2-CD2 4.21Å; T516-Y577 HydrophobicContact CG2-CE1 4.06Å; T516-Y577 HydrophobicContact CG2-CE2 3.62Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.87Å; K521-Y577 PolarHBondContact O-N 3.41Å; V522-Y577 CarbonylContact C-O 3.33Å; V522-Y577 WeakPolarHBondContact CA-O 3.34Å; M523-Y577 PolarHBondContact N-O 2.91Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.38Å; Y577-A681 HydrophobicContact CD1-CB 4.43Å; Y577-A681 HydrophobicContact CE1-CB 4.19Å; Y577-I691 HydrophobicContact CD1-CG2 3.93Å; Y577-I691 HydrophobicContact CG-CG2 4.45Å; Y577-Y692 CarbonylContact C-O 3.34Å; Y577-Y692 VanDerWaalsContact CA-O 3.22Å; Y577-Y692 WeakPolarHBondContact CA-O 3.35Å; Y577-K693 HydrophobicContact CD1-CB 3.92Å; Y577-K693 HydrophobicContact CD1-CG 4.47Å; Y577-K693 HydrophobicContact CE1-CB 3.78Å; Y577-K693 HydrophobicContact CE1-CD 3.93Å; Y577-K693 HydrophobicContact CE1-CG 4.1Å
578V97.9Very high94.5Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-119.3126.7173.5-1690000108.4M523 M559 M570 V575 V580 M642 L678 I691 Y692 V694M523-V578 HydrophobicContact CE-CG1 3.85Å; M523-V578 HydrophobicContact CE-CG2 3.87Å; M523-V578 WeakPolarHBondContact O-CA 3.45Å; M559-V578 HydrophobicContact CE-CG1 3.83Å; M559-V578 HydrophobicContact SD-CG1 4.4Å; M570-V578 HydrophobicContact SD-CG2 3.6Å; M570-V578 VanDerWaalsContact SD-CG2 3.6Å; V575-V578 HydrophobicContact CG1-CG2 4.13Å; V578-V580 HydrophobicContact CG1-CG1 4.45Å; V578-M642 HydrophobicContact CB-SD 4.26Å; V578-M642 HydrophobicContact CG1-CE 4.18Å; V578-M642 HydrophobicContact CG1-SD 3.7Å; V578-L678 HydrophobicContact CG2-CD2 4.47Å; V578-I691 WeakPolarHBondContact O-CA 3.17Å; V578-Y692 PolarHBondContact N-O 3.31Å; V578-Y692 PolarHBondContact O-N 3.17Å; V578-V694 HydrophobicContact CG2-CG2 3.93Å
579L97.8Very high94.1Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-111125.9177.9-174.3156000109.3Y509 V522 M523 I532 I581 V689 I691Y509-L579 HydrophobicContact CD1-CD1 4.22Å; Y509-L579 HydrophobicContact CE1-CD1 3.89Å; V522-L579 HydrophobicContact CG1-CB 4.08Å; M523-L579 PolarHBondContact O-N 3.25Å; I532-L579 HydrophobicContact CD1-CD1 4.32Å; L579-I581 HydrophobicContact CD2-CG1 4.32Å; L579-V689 HydrophobicContact CD1-CG1 3.96Å; L579-V689 HydrophobicContact CD2-CG1 3.88Å; L579-V689 HydrophobicContact CG-CG1 3.77Å; L579-I691 HydrophobicContact CD1-CG1 4.29Å; L579-I691 HydrophobicContact CG-CG1 4.34Å
580V97.3Very high93.7Very high0 Ų031.3 Ų31.30%018%0.177CC..EExtended strand (participates in β ladder)trans-128147.6175-63.10000111.1V578 M639 M642 R690 Y692V578-V580 HydrophobicContact CG1-CG1 4.45Å; V580-M639 HydrophobicContact CB-SD 4.48Å; V580-M639 HydrophobicContact CG1-CE 4.14Å; V580-M639 HydrophobicContact CG1-SD 4.01Å; V580-M642 HydrophobicContact CG1-CB 4.38Å; V580-M642 HydrophobicContact CG1-CE 3.8Å; V580-M642 HydrophobicContact CG1-SD 4.18Å; V580-M642 HydrophobicContact CG2-CB 4.18Å; V580-R690 HydrophobicContact CG2-CB 3.97Å; V580-R690 PolarHBondContact N-O 3.26Å; V580-R690 PolarHBondContact O-N 3.04Å; V580-Y692 HydrophobicContact CG2-CD2 4.35Å; V580-Y692 HydrophobicContact CG2-CE2 3.97Å
581I96.4Very high93.6Very high0 Ų031.3 Ų31.30%018%0.177CC..EExtended strand (participates in β ladder)trans-102.7123.8176.3-54.4-158.1000110F505 Y528 L579 Y588 D591 D592 L688F505-I581 HydrophobicContact CD1-CD1 4.27Å; F505-I581 HydrophobicContact CE1-CD1 3.36Å; F505-I581 HydrophobicContact CZ-CD1 4.01Å; Y528-I581 HydrophobicContact CD1-CD1 3.88Å; Y528-I581 HydrophobicContact CD2-CD1 4.22Å; Y528-I581 HydrophobicContact CD2-CG1 4.43Å; Y528-I581 HydrophobicContact CE1-CD1 3.35Å; Y528-I581 HydrophobicContact CE1-CG1 4.33Å; Y528-I581 HydrophobicContact CE2-CD1 3.72Å; Y528-I581 HydrophobicContact CE2-CG1 3.81Å; Y528-I581 HydrophobicContact CG-CD1 4.3Å; L579-I581 HydrophobicContact CD2-CG1 4.32Å; I581-Y588 HydrophobicContact CG2-CD1 4.4Å; I581-Y588 HydrophobicContact CG2-CE1 4.41Å; I581-D591 HydrophobicContact CG2-CB 4.45Å; I581-D592 PolarHBondContact N-OD2 3.33Å; I581-D592 PolarHBondContact O-N 3.07Å; I581-D592 VanDerWaalsContact O-N 3.08Å; I581-L688 CarbonylContact C-O 3.55Å; I581-L688 WeakPolarHBondContact CA-O 3.44Å; I581-L688 HydrophobicContact CG2-CD2 4.45Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å
582F96.3Very high93.6Very high0 Ų027.3 Ų27.30%016%0.162CC..  trans-121.9110.1-178.8174.4-120.7000111.2C643 Y644 F647 W687 L688 R690F582-C643 HydrophobicContact CB-CB 4.44Å; F582-C643 HydrophobicContact CD2-CB 3.96Å; F582-C643 HydrophobicContact CG-CB 4.4Å; F582-Y644 AromaticContact CE2-CD1 3.9Å; F582-Y644 HydrophobicContact CE2-CD1 3.9Å; F582-Y644 AromaticContact CE2-CE1 3.61Å; F582-Y644 HydrophobicContact CE2-CE1 3.61Å; F582-Y644 HydrophobicContact CZ-CD1 4.03Å; F582-Y644 AromaticContact CZ-CE1 3.98Å; F582-Y644 HydrophobicContact CZ-CE1 3.98Å; F582-F647 AromaticContact CE1-CD2 3.62Å; F582-F647 HydrophobicContact CE1-CD2 3.62Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.16Å; F582-F647 HydrophobicContact CE1-CZ 4.22Å; F582-F647 HydrophobicContact CZ-CD1 4.05Å; F582-F647 AromaticContact CZ-CD2 3.77Å; F582-F647 HydrophobicContact CZ-CD2 3.77Å; F582-F647 AromaticContact CZ-CE1 3.96Å; F582-F647 HydrophobicContact CZ-CE1 3.96Å; F582-F647 AromaticContact CZ-CE2 3.67Å; F582-F647 HydrophobicContact CZ-CE2 3.67Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.76Å; F582-F647 HydrophobicContact CZ-CZ 3.76Å; F582-W687 HydrophobicContact CD1-CB 4.36Å; F582-W687 WeakPolarHBondContact CD1-O 3.4Å; F582-W687 HydrophobicContact CE1-CE3 4.46Å; F582-L688 PolarHBondContact N-O 3.41Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.4Å; F582-R690 HydrophobicContact CB-CG 4.48Å
583G92.8Very high93.6Very high0 Ų022 Ų220%014%0.137CC..  trans-91.22.9-17700000115L585 T586 G587 Y588 D591 V663G583-L585 VanDerWaalsContact C-N 3.33Å; G583-L585 PolarHBondContact O-N 3.06Å; G583-T586 PolarHBondContact O-N 3.48Å; G583-T586 PolarHBondContact O-OG1 3.06Å; G583-G587 WeakPolarHBondContact O-CA 3.26Å; G583-G587 PolarHBondContact O-N 2.88Å; G583-Y588 PolarHBondContact O-N 3.39Å; G583-Y588 VanDerWaalsContact O-N 3.1Å; G583-D591 VanDerWaalsContact N-CB 3.33Å; G583-D591 PolarHBondContact N-OD2 3.06Å; G583-D591 VanDerWaalsContact N-OD2 3.17Å; G583-V663 VanDerWaalsContact O-CG2 3.31Å; G583-V663 WeakPolarHBondContact O-CG2 3.24Å
584G91.1Very high93.5Very high0 Ų024.9 Ų24.90%015%0.153CC..THydrogen-bonded Turntrans-66.6-28.4-164.800000114.9R662G584-R662 WeakPolarHBondContact O-CB 3.18Å; G584-R662 WeakPolarHBondContact O-CG 3.45Å; G584-R662 PolarHBondContact O-N 3.17Å
585L90.1Very high93.4Very high41 Ų4122.9 Ų22.922%0.21514%0.14CC..THydrogen-bonded Turntrans-83.8-43.3177.3-174.264.5000112.4G583 V650 T652 R662 W687G583-L585 VanDerWaalsContact C-N 3.33Å; G583-L585 PolarHBondContact O-N 3.06Å; L585-V650 HydrophobicContact CD1-CG1 4.3Å; L585-T652 HydrophobicContact CD1-CG2 3.57Å; L585-R662 WeakPolarHBondContact O-CD 3.46Å; L585-W687 HydrophobicContact CB-CB 4.48Å; L585-W687 HydrophobicContact CD2-CB 4.19Å; L585-W687 HydrophobicContact CD2-CG 4.17Å
586T87.8Confident93.3Very high36 Ų3622.7 Ų22.722%0.22114%0.139CC..THydrogen-bonded Turntrans-81.8-20-176.554.80000113.4G583 Y588 H686 L688G583-T586 PolarHBondContact O-N 3.48Å; G583-T586 PolarHBondContact O-OG1 3.06Å; T586-Y588 PolarHBondContact OG1-N 3.41Å; T586-H686 HydrophobicContact CG2-CB 3.53Å; T586-L688 HydrophobicContact CG2-CD1 4.09Å
587G88.6Confident93.1Very high39 Ų3922.1 Ų22.140%0.40213%0.133SC..THydrogen-bonded Turntrans79.524-170.100000113G583 S589G583-G587 WeakPolarHBondContact O-CA 3.26Å; G583-G587 PolarHBondContact O-N 2.88Å; G587-S589 PolarHBondContact O-N 2.86Å
588Y89.4Confident92.9Very high42 Ų4224.4 Ų24.417%0.16514%0.141CC..  trans-73.8112.5178.6-176.7-113.7000111.1L490 F505 I581 G583 T586 S590 D591 V663 L688L490-Y588 HydrophobicContact CD1-CD2 3.73Å; L490-Y588 HydrophobicContact CD1-CE2 4.08Å; L490-Y588 HydrophobicContact CD1-CG 4.24Å; L490-Y588 HydrophobicContact CD2-CD2 3.95Å; L490-Y588 HydrophobicContact CD2-CE2 3.6Å; F505-Y588 HydrophobicContact CZ-CE1 4.45Å; I581-Y588 HydrophobicContact CG2-CD1 4.4Å; I581-Y588 HydrophobicContact CG2-CE1 4.41Å; G583-Y588 PolarHBondContact O-N 3.39Å; G583-Y588 VanDerWaalsContact O-N 3.1Å; T586-Y588 PolarHBondContact OG1-N 3.41Å; Y588-S590 VanDerWaalsContact C-N 3.34Å; Y588-S590 VanDerWaalsContact CE1-C 3.45Å; Y588-S590 WeakPolarHBondContact CE1-O 3.29Å; Y588-S590 PolarHBondContact O-N 3.27Å; Y588-D591 HydrophobicContact CD1-CB 4.39Å; Y588-V663 WeakPolarHBondContact O-CG2 3.46Å; Y588-L688 HydrophobicContact CG-CD1 4.37Å
589S85.6Confident92.8Very high78 Ų7824.4 Ų24.455%0.54514%0.141SC..THydrogen-bonded Turntrans-72.8-20.6-173.159.10000114.8G587 D591 N594G587-S589 PolarHBondContact O-N 2.86Å; S589-D591 VanDerWaalsContact C-N 3.33Å; S589-D591 PolarHBondContact O-N 3.26Å; S589-N594 PolarHBondContact O-ND2 3.14Å
590S87.8Confident92.6Very high53 Ų5324.5 Ų24.537%0.37114%0.142SC..THydrogen-bonded Turntrans-99.237.7-175.2-580000112.6Y588 K595Y588-S590 VanDerWaalsContact C-N 3.34Å; Y588-S590 VanDerWaalsContact CE1-C 3.45Å; Y588-S590 WeakPolarHBondContact CE1-O 3.29Å; Y588-S590 PolarHBondContact O-N 3.27Å; S590-K595 WeakPolarHBondContact O-CE 3.43Å
591D93.3Very high92.4Very high0 Ų028.4 Ų28.40%016%0.156CC..SBendtrans-80.9172.217981.6-20.6000113.3I581 G583 Y588 S589 I593 N594 K595 R664I581-D591 HydrophobicContact CG2-CB 4.45Å; G583-D591 VanDerWaalsContact N-CB 3.33Å; G583-D591 PolarHBondContact N-OD2 3.06Å; G583-D591 VanDerWaalsContact N-OD2 3.17Å; Y588-D591 HydrophobicContact CD1-CB 4.39Å; S589-D591 VanDerWaalsContact C-N 3.33Å; S589-D591 PolarHBondContact O-N 3.26Å; D591-I593 VanDerWaalsContact C-N 3.26Å; D591-I593 PolarHBondContact O-N 2.96Å; D591-N594 PolarHBondContact O-N 3.48Å; D591-N594 PolarHBondContact OD1-N 3.35Å; D591-N594 VanDerWaalsContact OD1-N 3.16Å; D591-K595 PolarHBondContact O-N 3.41Å; D591-R664 IonicContact OD1-NH1 2.69Å; D591-R664 PolarHBondContact OD1-NH1 2.7Å; D591-R664 IonicContact OD2-CZ 3.72Å; D591-R664 IonicContact OD2-NH1 2.74Å; D591-R664 PolarHBondContact OD2-NH1 2.76Å; D591-R664 IonicContact OD2-NH2 2.91Å
592D95.3Very high92.1Very high1 Ų128.6 Ų28.61%0.00516%0.157CC..Hα-helixtrans-73.1-18.6-173.2-71.9-20000113.3Y528 I581 K595 F596 M599 M639Y528-D592 VanDerWaalsContact CE2-OD1 3.23Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.13Å; Y528-D592 PolarHBondContact OH-OD1 2.66Å; I581-D592 PolarHBondContact N-OD2 3.33Å; I581-D592 PolarHBondContact O-N 3.07Å; I581-D592 VanDerWaalsContact O-N 3.08Å; D592-K595 CarbonylContact O-C 3.48Å; D592-K595 PolarHBondContact O-N 3.17Å; D592-F596 WeakPolarHBondContact O-CA 3.44Å; D592-F596 PolarHBondContact O-N 3.41Å; D592-M599 HydrophobicContact CB-CE 4.04Å; D592-M639 HydrophobicContact CB-CE 4.29Å; D592-M639 HydrophobicContact CB-SD 4.12Å
593I94.8Very high91.9Very high7 Ų728.6 Ų28.64%0.03616%0.157CC..Hα-helixtrans-72.5-39.8175.2-60.5-61.1000111.2D591 K595 F596 V626 M639 C643 R664D591-I593 VanDerWaalsContact C-N 3.26Å; D591-I593 PolarHBondContact O-N 2.96Å; I593-K595 VanDerWaalsContact C-N 3.25Å; I593-K595 PolarHBondContact O-N 3.46Å; I593-F596 WeakPolarHBondContact O-CB 3.41Å; I593-F596 PolarHBondContact O-N 2.85Å; I593-V626 HydrophobicContact CG2-CG1 4.38Å; I593-M639 HydrophobicContact CD1-CG 3.7Å; I593-M639 HydrophobicContact CD1-SD 4.37Å; I593-C643 HydrophobicContact CD1-CB 3.92Å; I593-C643 HydrophobicContact CG1-CB 4.1Å; I593-R664 VanDerWaalsContact CB-NH2 3.27Å
594N93.3Very high91.8Very high76 Ų7629.7 Ų29.741%0.40617%0.169SC..Hα-helixtrans-68.7-26.5173-76.1-18.6000112.6S589 D591 V663S589-N594 PolarHBondContact O-ND2 3.14Å; D591-N594 PolarHBondContact O-N 3.48Å; D591-N594 PolarHBondContact OD1-N 3.35Å; D591-N594 VanDerWaalsContact OD1-N 3.16Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.36Å
595K93.4Very high91.6Very high35 Ų3533.1 Ų33.115%0.15219%0.193CC..Hα-helixtrans-84.8-13.3174.3-61.3176-169.4-179.10113.4D527 Y528 S590 D591 D592 I593 L597 W598 M599D527-K595 WeakPolarHBondContact OD2-CE 3.49Å; D527-K595 IonicContact OD2-NZ 3.54Å; D527-K595 PolarHBondContact OD2-NZ 2.94Å; Y528-K595 PolarHBondContact OH-NZ 2.77Å; S590-K595 WeakPolarHBondContact O-CE 3.43Å; D591-K595 PolarHBondContact O-N 3.41Å; D592-K595 CarbonylContact O-C 3.48Å; D592-K595 PolarHBondContact O-N 3.17Å; I593-K595 VanDerWaalsContact C-N 3.25Å; I593-K595 PolarHBondContact O-N 3.46Å; K595-L597 VanDerWaalsContact C-N 3.26Å; K595-L597 PolarHBondContact O-N 2.96Å; K595-L597 VanDerWaalsContact O-N 3.14Å; K595-W598 WeakPolarHBondContact O-CB 3.47Å; K595-W598 PolarHBondContact O-N 3.37Å; K595-M599 HydrophobicContact CB-CE 4.31Å; K595-M599 PolarHBondContact O-N 2.85Å
596F95.3Very high91.4Very high2 Ų232.3 Ų32.31%0.00919%0.19CC..Hα-helixtrans-53.6-40.3-171.4178.4-109.6000113.4A560 D592 I593 W598 M599 V600 Y617 F624 L634 C637 M639A560-F596 HydrophobicContact CB-CE2 4.01Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; D592-F596 WeakPolarHBondContact O-CA 3.44Å; D592-F596 PolarHBondContact O-N 3.41Å; I593-F596 WeakPolarHBondContact O-CB 3.41Å; I593-F596 PolarHBondContact O-N 2.85Å; F596-W598 PolarHBondContact O-N 2.96Å; F596-M599 WeakPolarHBondContact O-CA 3.28Å; F596-M599 VanDerWaalsContact O-CB 3.25Å; F596-M599 WeakPolarHBondContact O-CB 3.4Å; F596-M599 PolarHBondContact O-N 3.23Å; F596-V600 HydrophobicContact CD1-CG2 4.06Å; F596-V600 HydrophobicContact CE1-CG2 3.53Å; F596-V600 HydrophobicContact CE2-CG2 4.19Å; F596-V600 HydrophobicContact CZ-CG2 3.6Å; F596-V600 PolarHBondContact O-N 3.23Å; F596-Y617 AromaticContact CE1-CD1 3.64Å; F596-Y617 HydrophobicContact CE1-CD1 3.64Å; F596-Y617 AromaticContact CE1-CE1 3.91Å; F596-Y617 HydrophobicContact CE1-CE1 3.91Å; F596-Y617 HydrophobicContact CE1-CG 4.17Å; F596-Y617 AromaticContact CZ-CD1 3.94Å; F596-Y617 HydrophobicContact CZ-CD1 3.94Å; F596-Y617 AromaticContact CZ-CE1 3.7Å; F596-Y617 HydrophobicContact CZ-CE1 3.7Å; F596-F624 HydrophobicContact CD1-CE2 4.14Å; F596-F624 HydrophobicContact CD1-CZ 4.07Å; F596-L634 HydrophobicContact CD1-CD1 4.01Å; F596-L634 HydrophobicContact CE1-CD1 3.61Å; F596-L634 HydrophobicContact CZ-CD1 4.33Å; F596-C637 VanDerWaalsContact CE2-SG 3.56Å; F596-C637 HydrophobicContact CZ-CB 4.43Å; F596-C637 WeakPolarHBondContact CZ-SG 3.14Å; F596-M639 HydrophobicContact CD2-CB 3.76Å; F596-M639 HydrophobicContact CD2-CG 3.69Å; F596-M639 HydrophobicContact CE2-CB 3.69Å; F596-M639 HydrophobicContact CE2-CG 4.17Å
597L93.5Very high91.2Very high32 Ų3237.1 Ų37.117%0.16821%0.21CC..Hα-helixtrans-62.6-31.3-179.8-165.167.9000112.7K595 V600 R601 E614 Y618K595-L597 VanDerWaalsContact C-N 3.26Å; K595-L597 PolarHBondContact O-N 2.96Å; K595-L597 VanDerWaalsContact O-N 3.14Å; L597-V600 PolarHBondContact O-N 3.4Å; L597-R601 WeakPolarHBondContact O-CG 3.16Å; L597-R601 PolarHBondContact O-N 2.83Å; L597-E614 HydrophobicContact CD1-CG 3.65Å; L597-E614 HydrophobicContact CG-CG 4.44Å; L597-Y618 HydrophobicContact CD1-CE2 4.5Å; L597-Y618 VanDerWaalsContact CD2-OH 3.25Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.4Å
598W93.5Very high91Very high70 Ų7039.1 Ų39.127%0.26521%0.214SC..Hα-helixtrans-69.4-36.4171.7-68.3113.9000111.9P344 A347 S348 K595 F596 V600 R601 I602P344-W598 HydrophobicContact CB-CZ3 4.35Å; P344-W598 WeakPolarHBondContact O-CZ3 3.41Å; A347-W598 HydrophobicContact CB-CH2 4.31Å; S348-W598 VanDerWaalsContact CB-CD2 3.49Å; K595-W598 WeakPolarHBondContact O-CB 3.47Å; K595-W598 PolarHBondContact O-N 3.37Å; F596-W598 PolarHBondContact O-N 2.96Å; W598-V600 VanDerWaalsContact C-N 3.31Å; W598-V600 PolarHBondContact O-N 3.41Å; W598-R601 PolarHBondContact O-N 3.19Å; W598-I602 WeakPolarHBondContact O-CB 3.48Å; W598-I602 VanDerWaalsContact O-CG1 3.27Å; W598-I602 WeakPolarHBondContact O-CG1 3.34Å; W598-I602 PolarHBondContact O-N 3.38Å
599M94.8Very high90.7Very high0 Ų037.1 Ų37.10%021%0.206CC..Hα-helixtrans-61.4-41.9173.5-48-170.7-174.700111.2W525 M559 D592 K595 F596 G603 M639W525-M599 HydrophobicContact CB-CE 3.94Å; W525-M599 HydrophobicContact CD2-CE 3.7Å; W525-M599 HydrophobicContact CD2-CG 3.9Å; W525-M599 HydrophobicContact CD2-SD 4.11Å; W525-M599 HydrophobicContact CE3-CB 4.43Å; W525-M599 HydrophobicContact CE3-CE 4.02Å; W525-M599 HydrophobicContact CE3-CG 3.69Å; W525-M599 HydrophobicContact CE3-SD 3.82Å; W525-M599 HydrophobicContact CG-CE 3.68Å; W525-M599 HydrophobicContact CH2-CB 3.9Å; W525-M599 HydrophobicContact CH2-CG 3.67Å; W525-M599 HydrophobicContact CZ2-CB 4.43Å; W525-M599 HydrophobicContact CZ2-CG 3.81Å; W525-M599 HydrophobicContact CZ3-CB 3.88Å; W525-M599 HydrophobicContact CZ3-CG 3.6Å; W525-M599 HydrophobicContact CZ3-SD 4.22Å; M559-M599 HydrophobicContact CB-SD 3.98Å; M559-M599 HydrophobicContact CG-SD 4.28Å; D592-M599 HydrophobicContact CB-CE 4.04Å; K595-M599 HydrophobicContact CB-CE 4.31Å; K595-M599 PolarHBondContact O-N 2.85Å; F596-M599 WeakPolarHBondContact O-CA 3.28Å; F596-M599 VanDerWaalsContact O-CB 3.25Å; F596-M599 WeakPolarHBondContact O-CB 3.4Å; F596-M599 PolarHBondContact O-N 3.23Å; M599-G603 WeakPolarHBondContact O-CA 3.4Å; M599-G603 PolarHBondContact O-N 3.37Å; M599-M639 HydrophobicContact CE-CE 3.94Å; M599-M639 HydrophobicContact SD-CE 3.69Å
600V94.3Very high90.8Very high2 Ų241.4 Ų41.41%0.01221%0.21CC..Hα-helixtrans-62.4-49.6175.2173.30000111.4A560 F596 L597 W598 I602 G603 G604 I612 E614 Y617A560-V600 HydrophobicContact CB-CG2 3.93Å; F596-V600 HydrophobicContact CD1-CG2 4.06Å; F596-V600 HydrophobicContact CE1-CG2 3.53Å; F596-V600 HydrophobicContact CE2-CG2 4.19Å; F596-V600 HydrophobicContact CZ-CG2 3.6Å; F596-V600 PolarHBondContact O-N 3.23Å; L597-V600 PolarHBondContact O-N 3.4Å; W598-V600 VanDerWaalsContact C-N 3.31Å; W598-V600 PolarHBondContact O-N 3.41Å; V600-I602 PolarHBondContact O-N 2.94Å; V600-G603 PolarHBondContact O-N 3.48Å; V600-G604 PolarHBondContact O-N 2.91Å; V600-I612 HydrophobicContact CG1-CG2 3.84Å; V600-E614 HydrophobicContact CG1-CB 4.22Å; V600-E614 HydrophobicContact CG1-CG 4.34Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.28Å; V600-Y617 HydrophobicContact CG1-CD2 3.64Å; V600-Y617 HydrophobicContact CG1-CE2 3.47Å; V600-Y617 VanDerWaalsContact CG1-CE2 3.47Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.73Å; V600-Y617 HydrophobicContact CG2-CG 4.33Å
601R92.5Very high90.9Very high82 Ų8242.8 Ų42.831%0.30921%0.211SC..Hα-helixtrans-61.5-44.5179.5-74.3173.5179.6159.67.6112.7P344 L597 W598 S605 E614P344-R601 HydrophobicContact CB-CB 4.4Å; L597-R601 WeakPolarHBondContact O-CG 3.16Å; L597-R601 PolarHBondContact O-N 2.83Å; W598-R601 PolarHBondContact O-N 3.19Å; R601-S605 PolarHBondContact O-N 3.33Å; R601-E614 HydrophobicContact CG-CG 4.43Å; R601-E614 VanDerWaalsContact CG-OE2 3.23Å; R601-E614 WeakPolarHBondContact CG-OE2 3.5Å; R601-E614 IonicContact CZ-OE1 3.22Å; R601-E614 IonicContact CZ-OE2 2.83Å; R601-E614 VanDerWaalsContact NE-CD 3.26Å; R601-E614 IonicContact NE-OE1 3.16Å; R601-E614 PolarHBondContact NE-OE1 2.96Å; R601-E614 IonicContact NE-OE2 2.76Å; R601-E614 PolarHBondContact NE-OE2 2.55Å; R601-E614 IonicContact NH2-OE1 2.64Å; R601-E614 PolarHBondContact NH2-OE1 3.47Å; R601-E614 IonicContact NH2-OE2 3.41Å
602I91.4Very high90.8Very high4 Ų443.3 Ų43.32%0.02121%0.214CC..Hα-helixtrans-72.7-41.3179.7-64.2166.4000110.1P344 I345 W525 I552 S553 W598 V600 G604 S605P344-I602 HydrophobicContact CB-CG1 4.4Å; P344-I602 HydrophobicContact CG-CG1 4.31Å; I345-I602 HydrophobicContact CB-CD1 4.21Å; I345-I602 HydrophobicContact CG1-CD1 4.27Å; W525-I602 HydrophobicContact CH2-CD1 4.04Å; W525-I602 HydrophobicContact CZ2-CD1 3.95Å; I552-I602 HydrophobicContact CG2-CG2 4Å; S553-I602 WeakPolarHBondContact CB-O 3.22Å; S553-I602 PolarHBondContact OG-O 3.4Å; W598-I602 WeakPolarHBondContact O-CB 3.48Å; W598-I602 VanDerWaalsContact O-CG1 3.27Å; W598-I602 WeakPolarHBondContact O-CG1 3.34Å; W598-I602 PolarHBondContact O-N 3.38Å; V600-I602 PolarHBondContact O-N 2.94Å; I602-G604 PolarHBondContact O-N 3.03Å; I602-S605 PolarHBondContact O-N 3.21Å; I602-S605 PolarHBondContact O-OG 2.92Å
603G91.7Very high90.6Very high0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-60.1-42.9176.200000112.9S553 Q557 M599 V600 S605 G609S553-G603 PolarHBondContact OG-O 3.14Å; S553-G603 VanDerWaalsContact OG-O 3.07Å; Q557-G603 WeakPolarHBondContact CG-O 3.47Å; Q557-G603 PolarHBondContact NE2-O 3.05Å; Q557-G603 VanDerWaalsContact NE2-O 3.11Å; M599-G603 WeakPolarHBondContact O-CA 3.4Å; M599-G603 PolarHBondContact O-N 3.37Å; V600-G603 PolarHBondContact O-N 3.48Å; G603-S605 VanDerWaalsContact C-N 3.33Å; G603-S605 PolarHBondContact O-N 3.33Å; G603-G609 WeakPolarHBondContact O-CA 3.06Å
604G90.3Very high90.5Very high24 Ų2451.8 Ų51.825%0.24725%0.251CS..THydrogen-bonded Turntrans-79.3-7.1178.900000115.7V600 I602 G609V600-G604 PolarHBondContact O-N 2.91Å; I602-G604 PolarHBondContact O-N 3.03Å; G604-G609 WeakPolarHBondContact CA-O 3.11Å
605S86.3Confident90.5Very high72 Ų7254.8 Ų54.850%0.50326%0.263SS..THydrogen-bonded Turntrans-76.4-19.3-176.6700000114.5R601 I602 G603R601-S605 PolarHBondContact O-N 3.33Å; I602-S605 PolarHBondContact O-N 3.21Å; I602-S605 PolarHBondContact O-OG 2.92Å; G603-S605 VanDerWaalsContact C-N 3.33Å; G603-S605 PolarHBondContact O-N 3.33Å
606T87Confident90.5Very high24 Ų2456.3 Ų56.315%0.14727%0.272CS..SBendtrans-98.4160.4-178.957.80000111.8S553 Q557 T608 G609 R610S553-T606 VanDerWaalsContact CB-CG2 3.48Å; S553-T606 VanDerWaalsContact OG-CG2 3.24Å; S553-T606 WeakPolarHBondContact OG-CG2 3.34Å; S553-T606 PolarHBondContact OG-OG1 3.46Å; Q557-T606 PolarHBondContact NE2-OG1 2.73Å; T606-T608 VanDerWaalsContact C-N 3.3Å; T606-T608 PolarHBondContact O-N 3.48Å; T606-T608 PolarHBondContact OG1-OG1 3.02Å; T606-G609 WeakPolarHBondContact O-CA 3.42Å; T606-G609 PolarHBondContact O-N 3.14Å; T606-R610 PolarHBondContact O-N 3.47Å
607E83.1Confident90.5Very high137 Ų13756.7 Ų56.764%0.6427%0.274SS*.G310 helixtrans-59-38.8-177.6177.2154.3-135.100113.3G609 R610E607-G609 PolarHBondContact O-N 3.25Å; E607-R610 WeakPolarHBondContact O-CG 3.48Å; E607-R610 PolarHBondContact O-N 2.95Å; E607-R610 IonicContact OE1-CZ 3.16Å; E607-R610 IonicContact OE1-NH1 2.83Å; E607-R610 PolarHBondContact OE1-NH1 2.99Å; E607-R610 IonicContact OE1-NH2 2.83Å; E607-R610 PolarHBondContact OE1-NH2 3.1Å
608T84.4Confident90.5Very high81 Ų8157.6 Ų57.650%0.49728%0.275SS..G310 helixtrans-65.5-29.2175.5500000112.3Q557 T606 H611Q557-T608 PolarHBondContact NE2-OG1 3.02Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.07Å; T606-T608 VanDerWaalsContact C-N 3.3Å; T606-T608 PolarHBondContact O-N 3.48Å; T606-T608 PolarHBondContact OG1-OG1 3.02Å; T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 PolarHBondContact O-ND1 3.48Å
609G83.8Confident90.5Very high0 Ų054.6 Ų54.60%027%0.265CS..G310 helixtrans-87.51.4-178.500000115.5Q557 G603 G604 T606 E607 H611 I612Q557-G609 VanDerWaalsContact NE2-CA 3.28Å; Q557-G609 VanDerWaalsContact NE2-N 3.18Å; G603-G609 WeakPolarHBondContact O-CA 3.06Å; G604-G609 WeakPolarHBondContact CA-O 3.11Å; T606-G609 WeakPolarHBondContact O-CA 3.42Å; T606-G609 PolarHBondContact O-N 3.14Å; E607-G609 PolarHBondContact O-N 3.25Å; G609-H611 PolarHBondContact O-N 3.23Å; G609-I612 WeakPolarHBondContact O-CB 3.25Å; G609-I612 PolarHBondContact O-N 2.94Å
610R86.9Confident90.3Very high167 Ų16761.3 Ų61.363%0.6331%0.308SS*.THydrogen-bonded Turntrans-54.4-21.4-177.6-77.8-179.8-177.8149.910.5115.1T606 E607 I612T606-R610 PolarHBondContact O-N 3.47Å; E607-R610 WeakPolarHBondContact O-CG 3.48Å; E607-R610 PolarHBondContact O-N 2.95Å; E607-R610 IonicContact OE1-CZ 3.16Å; E607-R610 IonicContact OE1-NH1 2.83Å; E607-R610 PolarHBondContact OE1-NH1 2.99Å; E607-R610 IonicContact OE1-NH2 2.83Å; E607-R610 PolarHBondContact OE1-NH2 3.1Å; R610-I612 VanDerWaalsContact C-N 3.3Å
611H89.2Confident90.1Very high83 Ų8366.6 Ų66.638%0.38434%0.341SS..THydrogen-bonded Turntrans-76.2-17.2176.565.6-85.7000113.3T608 G609T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 PolarHBondContact O-ND1 3.48Å; G609-H611 PolarHBondContact O-N 3.23Å
612I92.3Very high90.1Very high11 Ų1165 Ų656%0.05635%0.349CS..  trans-90.5114.8175-59-175.4000108.1Q557 A560 V600 G609 R610 Y617Q557-I612 HydrophobicContact CB-CD1 3.93Å; Q557-I612 HydrophobicContact CG-CD1 3.72Å; A560-I612 HydrophobicContact CB-CD1 4.22Å; V600-I612 HydrophobicContact CG1-CG2 3.84Å; G609-I612 WeakPolarHBondContact O-CB 3.25Å; G609-I612 PolarHBondContact O-N 2.94Å; R610-I612 VanDerWaalsContact C-N 3.3Å; I612-Y617 HydrophobicContact CG2-CE2 4.01Å
613K91.6Very high90.1Very high128 Ų12869.4 Ų69.456%0.55737%0.37SS*.  trans-117.5130.6176.6-61.2177-178.3174.40109.7H615 D616 Y617K613-H615 PolarHBondContact O-N 3.29Å; K613-D616 WeakPolarHBondContact O-CB 3.39Å; K613-D616 PolarHBondContact O-N 3Å; K613-D616 VanDerWaalsContact O-N 3.08Å; K613-Y617 WeakPolarHBondContact O-CD2 3.3Å; K613-Y617 WeakPolarHBondContact O-CE2 3.15Å
614E92.3Very high90.1Very high57 Ų5772.6 Ų72.627%0.26638%0.384SS..G310 helixtrans-56.9-38.5179.8-164.7-171.5149.100112.2L597 V600 R601 D616 Y617 Y618L597-E614 HydrophobicContact CD1-CG 3.65Å; L597-E614 HydrophobicContact CG-CG 4.44Å; V600-E614 HydrophobicContact CG1-CB 4.22Å; V600-E614 HydrophobicContact CG1-CG 4.34Å; R601-E614 HydrophobicContact CG-CG 4.43Å; R601-E614 VanDerWaalsContact CG-OE2 3.23Å; R601-E614 WeakPolarHBondContact CG-OE2 3.5Å; R601-E614 IonicContact CZ-OE1 3.22Å; R601-E614 IonicContact CZ-OE2 2.83Å; R601-E614 VanDerWaalsContact NE-CD 3.26Å; R601-E614 IonicContact NE-OE1 3.16Å; R601-E614 PolarHBondContact NE-OE1 2.96Å; R601-E614 IonicContact NE-OE2 2.76Å; R601-E614 PolarHBondContact NE-OE2 2.55Å; R601-E614 IonicContact NH2-OE1 2.64Å; R601-E614 PolarHBondContact NH2-OE1 3.47Å; R601-E614 IonicContact NH2-OE2 3.41Å; E614-D616 PolarHBondContact O-N 3.08Å; E614-D616 VanDerWaalsContact O-N 3.16Å; E614-Y617 PolarHBondContact O-N 2.77Å; E614-Y618 HydrophobicContact CG-CE2 3.84Å; E614-Y618 WeakPolarHBondContact O-CD2 3.27Å; E614-Y618 PolarHBondContact OE1-OH 3.16Å
615H92.3Very high90.3Very high140 Ų14075 Ų7565%0.64839%0.386SS*.G310 helixtrans-58.4-29.5179.8-170.4-81.1000113.3K613 Y617 Y618K613-H615 PolarHBondContact O-N 3.29Å; H615-Y617 PolarHBondContact O-N 2.91Å; H615-Y618 PolarHBondContact O-N 3.04Å
616D94Very high90.6Very high67 Ų6771.8 Ų71.836%0.35836%0.363SS..G310 helixtrans-72.8-15.5-174.2-63.2-12.3000112.5K613 E614 S631 V633K613-D616 WeakPolarHBondContact O-CB 3.39Å; K613-D616 PolarHBondContact O-N 3Å; K613-D616 VanDerWaalsContact O-N 3.08Å; E614-D616 PolarHBondContact O-N 3.08Å; E614-D616 VanDerWaalsContact O-N 3.16Å; D616-S631 WeakPolarHBondContact O-CB 3.45Å; D616-S631 PolarHBondContact O-OG 3.27Å; D616-V633 HydrophobicContact CB-CG2 4.41Å
617Y94.8Very high90.9Very high9 Ų971.8 Ų71.84%0.03536%0.362CS..G310 helixtrans-93.4-6.7178.7-59.9-85.9000113.8A560 F596 V600 I612 K613 E614 H615 V633 L634A560-Y617 PolarHBondContact O-OH 3.33Å; F596-Y617 AromaticContact CE1-CD1 3.64Å; F596-Y617 HydrophobicContact CE1-CD1 3.64Å; F596-Y617 AromaticContact CE1-CE1 3.91Å; F596-Y617 HydrophobicContact CE1-CE1 3.91Å; F596-Y617 HydrophobicContact CE1-CG 4.17Å; F596-Y617 AromaticContact CZ-CD1 3.94Å; F596-Y617 HydrophobicContact CZ-CD1 3.94Å; F596-Y617 AromaticContact CZ-CE1 3.7Å; F596-Y617 HydrophobicContact CZ-CE1 3.7Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.28Å; V600-Y617 HydrophobicContact CG1-CD2 3.64Å; V600-Y617 HydrophobicContact CG1-CE2 3.47Å; V600-Y617 VanDerWaalsContact CG1-CE2 3.47Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.73Å; V600-Y617 HydrophobicContact CG2-CG 4.33Å; I612-Y617 HydrophobicContact CG2-CE2 4.01Å; K613-Y617 WeakPolarHBondContact O-CD2 3.3Å; K613-Y617 WeakPolarHBondContact O-CE2 3.15Å; E614-Y617 PolarHBondContact O-N 2.77Å; H615-Y617 PolarHBondContact O-N 2.91Å; Y617-V633 HydrophobicContact CD1-CG1 4.26Å; Y617-V633 HydrophobicContact CE1-CG1 3.88Å; Y617-L634 HydrophobicContact CD1-CB 4.19Å; Y617-L634 HydrophobicContact CD1-CD1 4.27Å
618Y94.5Very high91.3Very high51 Ų5174.2 Ų74.220%0.237%0.365CS..SBendtrans-91.2158.3175.1-63-71.9000111.6L597 E614 H615 E623 F624L597-Y618 HydrophobicContact CD1-CE2 4.5Å; L597-Y618 VanDerWaalsContact CD2-OH 3.25Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.4Å; E614-Y618 HydrophobicContact CG-CE2 3.84Å; E614-Y618 WeakPolarHBondContact O-CD2 3.27Å; E614-Y618 PolarHBondContact OE1-OH 3.16Å; H615-Y618 PolarHBondContact O-N 3.04Å; Y618-E623 WeakPolarHBondContact CA-O 3.5Å; Y618-F624 HydrophobicContact CD1-CB 3.94Å; Y618-F624 HydrophobicContact CE1-CB 3.94Å
619T93.7Very high91.7Very high8 Ų876.1 Ų76.15%0.04937%0.369CS..  trans-65.7165.4166.7660000110.7T621 G622 E623 R625 E629T619-T621 PolarHBondContact O-N 3.25Å; T619-T621 PolarHBondContact OG1-N 3.09Å; T619-T621 PolarHBondContact OG1-OG1 2.96Å; T619-G622 PolarHBondContact O-N 3.45Å; T619-G622 PolarHBondContact OG1-N 2.76Å; T619-E623 HydrophobicContact CG2-CB 4.48Å; T619-E623 WeakPolarHBondContact CG2-O 3.46Å; T619-E623 PolarHBondContact N-O 2.92Å; T619-E623 PolarHBondContact OG1-N 2.91Å; T619-E623 PolarHBondContact OG1-O 3.29Å; T619-R625 HydrophobicContact CG2-CB 4.32Å; T619-E629 WeakPolarHBondContact CG2-O 3.37Å
620P90.5Very high92.1Very high141 Ų14176.4 Ų76.492%0.91637%0.372SS*.THydrogen-bonded Turntrans-57.9-21.5173.8-25.635.5000114.4
621T90.7Very high92.6Very high113 Ų11369 Ų6969%0.69335%0.345SS*.THydrogen-bonded Turntrans-86.1-6.1175.253.10000113.5T619T619-T621 PolarHBondContact O-N 3.25Å; T619-T621 PolarHBondContact OG1-N 3.09Å; T619-T621 PolarHBondContact OG1-OG1 2.96Å
622G90.8Very high92.8Very high47 Ų4769.3 Ų69.349%0.48536%0.355SS..SBendtrans87.815.7-179.600000114.7T619T619-G622 PolarHBondContact O-N 3.45Å; T619-G622 PolarHBondContact OG1-N 2.76Å
623E91.6Very high92.9Very high97 Ų9772 Ų7245%0.45337%0.371SS..  trans-93.1146.8178.8-61-178.3164.900111.2Y618 T619 R625Y618-E623 WeakPolarHBondContact CA-O 3.5Å; T619-E623 HydrophobicContact CG2-CB 4.48Å; T619-E623 WeakPolarHBondContact CG2-O 3.46Å; T619-E623 PolarHBondContact N-O 2.92Å; T619-E623 PolarHBondContact OG1-N 2.91Å; T619-E623 PolarHBondContact OG1-O 3.29Å; E623-R625 HydrophobicContact CB-CG 4.13Å; E623-R625 WeakPolarHBondContact OE2-CD 3.36Å; E623-R625 IonicContact OE2-NH1 3.22Å
624F93.3Very high93.1Very high68 Ų6866.1 Ų66.130%0.29835%0.346SS..  trans-97.7104.4172.3-177.5-102.8000109.4F596 Y618 L634F596-F624 HydrophobicContact CD1-CE2 4.14Å; F596-F624 HydrophobicContact CD1-CZ 4.07Å; Y618-F624 HydrophobicContact CD1-CB 3.94Å; Y618-F624 HydrophobicContact CE1-CB 3.94Å; F624-L634 HydrophobicContact CD2-CD2 4.16Å; F624-L634 HydrophobicContact CE2-CD1 3.93Å; F624-L634 HydrophobicContact CE2-CD2 3.63Å; F624-L634 HydrophobicContact CE2-CG 4.43Å; F624-L634 HydrophobicContact CZ-CD1 4.15Å; F624-L634 HydrophobicContact CZ-CD2 4.02Å
625R92.8Very high93.2Very high74 Ų7464 Ų6428%0.27934%0.337SS..  trans-129.3143.1-174.4-65.7-17967.1177.4-11111.6T619 E623 D627 E629 G630 L634T619-R625 HydrophobicContact CG2-CB 4.32Å; E623-R625 HydrophobicContact CB-CG 4.13Å; E623-R625 WeakPolarHBondContact OE2-CD 3.36Å; E623-R625 IonicContact OE2-NH1 3.22Å; R625-D627 IonicContact CZ-OD1 3.76Å; R625-D627 IonicContact CZ-OD2 2.68Å; R625-D627 IonicContact NE-OD1 3.07Å; R625-D627 PolarHBondContact NE-OD1 3.05Å; R625-D627 IonicContact NE-OD2 3.92Å; R625-D627 PolarHBondContact NE-OD2 3.46Å; R625-D627 IonicContact NH2-OD1 3.48Å; R625-D627 IonicContact NH2-OD2 2.85Å; R625-D627 PolarHBondContact NH2-OD2 2.9Å; R625-E629 IonicContact CZ-OE2 3.09Å; R625-E629 IonicContact NH1-OE2 3.97Å; R625-E629 PolarHBondContact NH1-OE2 2.68Å; R625-E629 IonicContact NH2-OE1 3.56Å; R625-E629 IonicContact NH2-OE2 2.66Å; R625-E629 PolarHBondContact NH2-OE2 3.45Å; R625-E629 VanDerWaalsContact NH2-OE2 3.09Å; R625-G630 VanDerWaalsContact O-CA 3.24Å; R625-G630 WeakPolarHBondContact O-CA 3.17Å; R625-L634 VanDerWaalsContact O-CD2 3.27Å; R625-L634 WeakPolarHBondContact O-CD2 3.5Å
626V93.9Very high93.3Very high4 Ų461.1 Ų61.12%0.02433%0.326CS..  trans-103.3-2.1-179-62.80000113.3I593 Y640 R664 A666 G669I593-V626 HydrophobicContact CG2-CG1 4.38Å; V626-Y640 HydrophobicContact CB-CE2 4.25Å; V626-Y640 PolarHBondContact O-OH 2.95Å; V626-R664 HydrophobicContact CG2-CB 3.96Å; V626-R664 HydrophobicContact CG2-CG 4.17Å; V626-A666 HydrophobicContact CG2-CB 4.1Å; V626-G669 PolarHBondContact O-N 2.97Å
627D93.2Very high93.3Very high24 Ų2458 Ų5813%0.12831%0.309CS..SBendtrans-82.3-171177.158.429.3000111.6R625 E629 G630 A666 E667 G669R625-D627 IonicContact CZ-OD1 3.76Å; R625-D627 IonicContact CZ-OD2 2.68Å; R625-D627 IonicContact NE-OD1 3.07Å; R625-D627 PolarHBondContact NE-OD1 3.05Å; R625-D627 IonicContact NE-OD2 3.92Å; R625-D627 PolarHBondContact NE-OD2 3.46Å; R625-D627 IonicContact NH2-OD1 3.48Å; R625-D627 IonicContact NH2-OD2 2.85Å; R625-D627 PolarHBondContact NH2-OD2 2.9Å; D627-E629 PolarHBondContact O-N 3.31Å; D627-E629 VanDerWaalsContact O-N 3.17Å; D627-E629 WeakPolarHBondContact OD1-CB 3.29Å; D627-E629 PolarHBondContact OD1-N 3.33Å; D627-G630 PolarHBondContact O-N 2.93Å; D627-G630 PolarHBondContact OD1-N 2.9Å; D627-A666 HydrophobicContact CB-CB 4.47Å; D627-E667 WeakPolarHBondContact CA-O 3.36Å; D627-E667 WeakPolarHBondContact CB-O 3.25Å; D627-G669 VanDerWaalsContact C-CA 3.41Å
628R91.8Very high93.4Very high189 Ų18957.6 Ų57.671%0.71331%0.307SS*.THydrogen-bonded Turntrans-62.5-19.8-179-66.4-177.1177.7167.70.6113.9G630R628-G630 VanDerWaalsContact C-N 3.31Å
629E92.8Very high93.5Very high121 Ų12155.2 Ų55.257%0.56530%0.298SS*.THydrogen-bonded Turntrans-86.8-8177.1-63.5176.1-167.100111.9T619 R625 D627T619-E629 WeakPolarHBondContact CG2-O 3.37Å; R625-E629 IonicContact CZ-OE2 3.09Å; R625-E629 IonicContact NH1-OE2 3.97Å; R625-E629 PolarHBondContact NH1-OE2 2.68Å; R625-E629 IonicContact NH2-OE1 3.56Å; R625-E629 IonicContact NH2-OE2 2.66Å; R625-E629 PolarHBondContact NH2-OE2 3.45Å; R625-E629 VanDerWaalsContact NH2-OE2 3.09Å; D627-E629 PolarHBondContact O-N 3.31Å; D627-E629 VanDerWaalsContact O-N 3.17Å; D627-E629 WeakPolarHBondContact OD1-CB 3.29Å; D627-E629 PolarHBondContact OD1-N 3.33Å
630G92.3Very high93.6Very high6 Ų655 Ų556%0.06230%0.296CS..SBendtrans-57.9155.4174.300000113.1R625 D627 R628 L635R625-G630 VanDerWaalsContact O-CA 3.24Å; R625-G630 WeakPolarHBondContact O-CA 3.17Å; D627-G630 PolarHBondContact O-N 2.93Å; D627-G630 PolarHBondContact OD1-N 2.9Å; R628-G630 VanDerWaalsContact C-N 3.31Å; G630-L635 WeakPolarHBondContact O-CD1 3.45Å
631S95.4Very high93.8Very high10 Ų1049.7 Ų49.77%0.0726%0.259CS..  trans-58.8138.1179171.70000111.3D616 V633 L634 L635D616-S631 WeakPolarHBondContact O-CB 3.45Å; D616-S631 PolarHBondContact O-OG 3.27Å; S631-V633 PolarHBondContact O-N 3.49Å; S631-V633 PolarHBondContact OG-N 3.4Å; S631-V633 VanDerWaalsContact OG-N 3.15Å; S631-L634 WeakPolarHBondContact O-CB 3.36Å; S631-L634 PolarHBondContact O-N 3.3Å; S631-L635 WeakPolarHBondContact O-CG 3.27Å; S631-L635 PolarHBondContact O-N 3.16Å
632P94.1Very high94.1Very high91 Ų9144.3 Ų44.359%0.59123%0.226SC*.Hα-helixtrans-61.4-24.417426.5-35.1000112.5N636P632-N636 WeakPolarHBondContact O-CB 3.46Å; P632-N636 PolarHBondContact O-N 3.07Å; P632-N636 PolarHBondContact O-ND2 2.61Å
633V94.6Very high94.3Very high66 Ų6642 Ų4240%0.420%0.203SC..Hα-helixtrans-71.4-40.6174.8-1780000110.5D616 Y617 S631 C637D616-V633 HydrophobicContact CB-CG2 4.41Å; Y617-V633 HydrophobicContact CD1-CG1 4.26Å; Y617-V633 HydrophobicContact CE1-CG1 3.88Å; S631-V633 PolarHBondContact O-N 3.49Å; S631-V633 PolarHBondContact OG-N 3.4Å; S631-V633 VanDerWaalsContact OG-N 3.15Å; V633-C637 PolarHBondContact O-N 3.37Å; V633-C637 VanDerWaalsContact O-N 3.13Å
634L94.8Very high94.5Very high6 Ų637.4 Ų37.43%0.03118%0.181CC..Hα-helixtrans-66.4-47175.7176.563.5000111.4F596 Y617 F624 R625 S631 N636 C637 Y640F596-L634 HydrophobicContact CD1-CD1 4.01Å; F596-L634 HydrophobicContact CE1-CD1 3.61Å; F596-L634 HydrophobicContact CZ-CD1 4.33Å; Y617-L634 HydrophobicContact CD1-CB 4.19Å; Y617-L634 HydrophobicContact CD1-CD1 4.27Å; F624-L634 HydrophobicContact CD2-CD2 4.16Å; F624-L634 HydrophobicContact CE2-CD1 3.93Å; F624-L634 HydrophobicContact CE2-CD2 3.63Å; F624-L634 HydrophobicContact CE2-CG 4.43Å; F624-L634 HydrophobicContact CZ-CD1 4.15Å; F624-L634 HydrophobicContact CZ-CD2 4.02Å; R625-L634 VanDerWaalsContact O-CD2 3.27Å; R625-L634 WeakPolarHBondContact O-CD2 3.5Å; S631-L634 WeakPolarHBondContact O-CB 3.36Å; S631-L634 PolarHBondContact O-N 3.3Å; L634-N636 PolarHBondContact O-N 3.19Å; L634-C637 WeakPolarHBondContact O-CB 3.36Å; L634-C637 PolarHBondContact O-N 3.39Å; L634-C637 VanDerWaalsContact O-N 3.11Å; L634-Y640 WeakPolarHBondContact O-CB 3.37Å
635L94.7Very high94.7Very high13 Ų1335 Ų357%0.06817%0.17CC..Hα-helixtrans-64.3-22.1-178.7-71.5161.5000113.4G630 S631 Y640 N670G630-L635 WeakPolarHBondContact O-CD1 3.45Å; S631-L635 WeakPolarHBondContact O-CG 3.27Å; S631-L635 PolarHBondContact O-N 3.16Å; L635-Y640 HydrophobicContact CD2-CE1 4.07Å; L635-Y640 HydrophobicContact CD2-CE2 3.89Å; L635-Y640 WeakPolarHBondContact CD2-OH 3.12Å; L635-Y640 WeakPolarHBondContact O-CD1 3.28Å; L635-N670 HydrophobicContact CD2-CB 4.44Å; L635-N670 PolarHBondContact O-ND2 3.5Å
636N94.4Very high94.8Very high78 Ų7838.5 Ų38.542%0.41718%0.183SC..THydrogen-bonded Turntrans-105.13.6176.5-69.7-50.7000113.9P632 L634P632-N636 WeakPolarHBondContact O-CB 3.46Å; P632-N636 PolarHBondContact O-N 3.07Å; P632-N636 PolarHBondContact O-ND2 2.61Å; L634-N636 PolarHBondContact O-N 3.19Å
637C95.2Very high94.8Very high2 Ų238.3 Ų38.31%0.01418%0.182CC..SBendtrans-68.8145.2177.3178.40000111.1M559 A560 F596 V633 L634 M639 Y640 K641M559-C637 PolarHBondContact O-SG 3.11Å; A560-C637 VanDerWaalsContact C-SG 3.51Å; A560-C637 VanDerWaalsContact CA-SG 3.58Å; A560-C637 PolarHBondContact O-SG 3.5Å; F596-C637 VanDerWaalsContact CE2-SG 3.56Å; F596-C637 HydrophobicContact CZ-CB 4.43Å; F596-C637 WeakPolarHBondContact CZ-SG 3.14Å; V633-C637 PolarHBondContact O-N 3.37Å; V633-C637 VanDerWaalsContact O-N 3.13Å; L634-C637 WeakPolarHBondContact O-CB 3.36Å; L634-C637 PolarHBondContact O-N 3.39Å; L634-C637 VanDerWaalsContact O-N 3.11Å; C637-M639 VanDerWaalsContact C-N 3.31Å; C637-M639 PolarHBondContact O-N 3.39Å; C637-Y640 PolarHBondContact O-N 2.81Å; C637-K641 PolarHBondContact O-N 3.1Å
638L96.1Very high94.7Very high0 Ų037.3 Ų37.30%018%0.178CC..Hα-helixtrans-54.6-46.5176.5-175.373.1000111.5S561 E563 A566 M570 Y640 K641 M642 L678S561-L638 WeakPolarHBondContact O-CB 3.49Å; S561-L638 PolarHBondContact O-N 2.94Å; E563-L638 HydrophobicContact CG-CD1 3.7Å; A566-L638 HydrophobicContact CB-CB 4.24Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.34Å; M570-L638 HydrophobicContact CE-CD2 4.15Å; M570-L638 HydrophobicContact SD-CD2 4.49Å; L638-Y640 VanDerWaalsContact C-N 3.35Å; L638-Y640 PolarHBondContact O-N 2.78Å; L638-K641 PolarHBondContact O-N 2.89Å; L638-M642 HydrophobicContact CB-CE 4.48Å; L638-M642 HydrophobicContact CD1-CG 4.3Å; L638-M642 HydrophobicContact CD1-SD 4.39Å; L638-M642 HydrophobicContact CD2-CE 3.69Å; L638-M642 HydrophobicContact CD2-SD 4.08Å; L638-M642 HydrophobicContact CG-CE 3.59Å; L638-M642 HydrophobicContact CG-CG 4.18Å; L638-M642 HydrophobicContact CG-SD 3.96Å; L638-M642 WeakPolarHBondContact O-CB 3.41Å; L638-M642 WeakPolarHBondContact O-CG 3.22Å; L638-M642 PolarHBondContact O-N 3Å; L638-L678 HydrophobicContact CD1-CD1 3.83Å
639M96.3Very high94.6Very high1 Ų134.9 Ų34.91%0.00518%0.175CC..Hα-helixtrans-59.1-43.4179.2-179.260.269.300112.6M559 V580 D592 I593 F596 M599 C637 M642 C643M559-M639 HydrophobicContact CB-CE 3.99Å; M559-M639 HydrophobicContact CG-CE 4.04Å; M559-M639 VanDerWaalsContact O-CB 3.27Å; M559-M639 WeakPolarHBondContact O-CB 3.43Å; M559-M639 PolarHBondContact O-N 3.22Å; M559-M639 HydrophobicContact SD-CE 3.68Å; V580-M639 HydrophobicContact CB-SD 4.48Å; V580-M639 HydrophobicContact CG1-CE 4.14Å; V580-M639 HydrophobicContact CG1-SD 4.01Å; D592-M639 HydrophobicContact CB-CE 4.29Å; D592-M639 HydrophobicContact CB-SD 4.12Å; I593-M639 HydrophobicContact CD1-CG 3.7Å; I593-M639 HydrophobicContact CD1-SD 4.37Å; F596-M639 HydrophobicContact CD2-CB 3.76Å; F596-M639 HydrophobicContact CD2-CG 3.69Å; F596-M639 HydrophobicContact CE2-CB 3.69Å; F596-M639 HydrophobicContact CE2-CG 4.17Å; M599-M639 HydrophobicContact CE-CE 3.94Å; M599-M639 HydrophobicContact SD-CE 3.69Å; C637-M639 VanDerWaalsContact C-N 3.31Å; C637-M639 PolarHBondContact O-N 3.39Å; M639-M642 PolarHBondContact O-N 3.4Å; M639-C643 WeakPolarHBondContact O-CB 3.47Å; M639-C643 PolarHBondContact O-N 2.96Å; M639-C643 VanDerWaalsContact SD-SG 3.68Å
640Y96.1Very high94.5Very high3 Ų330.7 Ų30.71%0.01216%0.157CC..Hα-helixtrans-61.6-48177.4-176.8-83.6000110.4V626 L634 L635 C637 L638 C643 Y644 G669 N670 F673V626-Y640 HydrophobicContact CB-CE2 4.25Å; V626-Y640 PolarHBondContact O-OH 2.95Å; L634-Y640 WeakPolarHBondContact O-CB 3.37Å; L635-Y640 HydrophobicContact CD2-CE1 4.07Å; L635-Y640 HydrophobicContact CD2-CE2 3.89Å; L635-Y640 WeakPolarHBondContact CD2-OH 3.12Å; L635-Y640 WeakPolarHBondContact O-CD1 3.28Å; C637-Y640 PolarHBondContact O-N 2.81Å; L638-Y640 VanDerWaalsContact C-N 3.35Å; L638-Y640 PolarHBondContact O-N 2.78Å; Y640-C643 PolarHBondContact O-N 3.48Å; Y640-Y644 HydrophobicContact CD1-CD2 4.07Å; Y640-Y644 AromaticContact CD2-CD2 3.58Å; Y640-Y644 HydrophobicContact CD2-CD2 3.58Å; Y640-Y644 AromaticContact CD2-CE2 3.65Å; Y640-Y644 HydrophobicContact CD2-CE2 3.65Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.47Å; Y640-Y644 HydrophobicContact CE2-CD2 3.47Å; Y640-Y644 VanDerWaalsContact CE2-CD2 3.47Å; Y640-Y644 AromaticContact CE2-CE2 3.46Å; Y640-Y644 HydrophobicContact CE2-CE2 3.46Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.46Å; Y640-Y644 AromaticContact CG-CD2 3.89Å; Y640-Y644 HydrophobicContact CG-CD2 3.89Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.66Å; Y640-Y644 WeakPolarHBondContact O-CB 3.24Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.29Å; Y640-Y644 PolarHBondContact O-N 3.44Å; Y640-G669 PolarHBondContact OH-N 3.41Å; Y640-N670 HydrophobicContact CE1-CB 4.08Å; Y640-N670 PolarHBondContact OH-N 2.66Å; Y640-F673 HydrophobicContact CE1-CE1 4.33Å
641K95.9Very high94.4Very high30 Ų3038.6 Ų38.613%0.1319%0.187CC..Hα-helixtrans-62.9-43.9179.9-71-170.5168.7-169.80112.5E563 C637 L638 Y645 F673 L675E563-K641 HydrophobicContact CG-CD 4.26Å; E563-K641 WeakPolarHBondContact OE1-CD 3.31Å; E563-K641 WeakPolarHBondContact OE1-CE 3.35Å; E563-K641 IonicContact OE1-NZ 3.72Å; E563-K641 PolarHBondContact OE1-NZ 2.88Å; C637-K641 PolarHBondContact O-N 3.1Å; L638-K641 PolarHBondContact O-N 2.89Å; K641-Y645 WeakPolarHBondContact O-CB 3.41Å; K641-Y645 PolarHBondContact O-N 2.87Å; K641-Y645 VanDerWaalsContact O-N 3.1Å; K641-F673 VanDerWaalsContact CA-CE2 3.43Å; K641-F673 HydrophobicContact CB-CD2 4.15Å; K641-F673 HydrophobicContact CB-CE2 3.65Å; K641-F673 HydrophobicContact CB-CZ 4.25Å; K641-F673 HydrophobicContact CD-CD2 4.32Å; K641-F673 HydrophobicContact CG-CD2 3.97Å; K641-F673 HydrophobicContact CG-CE2 3.91Å; K641-F673 HydrophobicContact CG-CZ 4.45Å; K641-F673 WeakPolarHBondContact O-CE2 3.21Å; K641-F673 VanDerWaalsContact O-CZ 3.3Å; K641-F673 WeakPolarHBondContact O-CZ 3.28Å; K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.48Å
642M96Very high93.9Very high0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-62.1-49176.9-71.5-173.2-62.900111.5M559 V578 V580 L638 M639 Y644 L678 Y692M559-M642 HydrophobicContact SD-CE 3.62Å; V578-M642 HydrophobicContact CB-SD 4.26Å; V578-M642 HydrophobicContact CG1-CE 4.18Å; V578-M642 HydrophobicContact CG1-SD 3.7Å; V580-M642 HydrophobicContact CG1-CB 4.38Å; V580-M642 HydrophobicContact CG1-CE 3.8Å; V580-M642 HydrophobicContact CG1-SD 4.18Å; V580-M642 HydrophobicContact CG2-CB 4.18Å; L638-M642 HydrophobicContact CB-CE 4.48Å; L638-M642 HydrophobicContact CD1-CG 4.3Å; L638-M642 HydrophobicContact CD1-SD 4.39Å; L638-M642 HydrophobicContact CD2-CE 3.69Å; L638-M642 HydrophobicContact CD2-SD 4.08Å; L638-M642 HydrophobicContact CG-CE 3.59Å; L638-M642 HydrophobicContact CG-CG 4.18Å; L638-M642 HydrophobicContact CG-SD 3.96Å; L638-M642 WeakPolarHBondContact O-CB 3.41Å; L638-M642 WeakPolarHBondContact O-CG 3.22Å; L638-M642 PolarHBondContact O-N 3Å; M639-M642 PolarHBondContact O-N 3.4Å; M642-Y644 PolarHBondContact O-N 2.82Å; M642-L678 HydrophobicContact CG-CD1 3.7Å; M642-L678 HydrophobicContact SD-CD1 3.65Å; M642-Y692 HydrophobicContact CB-CD2 4.21Å; M642-Y692 HydrophobicContact CB-CE2 3.93Å; M642-Y692 HydrophobicContact CG-CD2 4.2Å; M642-Y692 HydrophobicContact CG-CE2 4.36Å; M642-Y692 WeakPolarHBondContact O-CE2 3.48Å; M642-Y692 VanDerWaalsContact O-CZ 3.28Å; M642-Y692 PolarHBondContact O-OH 3.17Å; M642-Y692 HydrophobicContact SD-CD2 4.4Å
643C94.8Very high93.4Very high0 Ų037.8 Ų37.80%018%0.175CC..Hα-helixtrans-68.4-39.2-176.9-72.50000113.1F582 I593 M639 Y640 R690F582-C643 HydrophobicContact CB-CB 4.44Å; F582-C643 HydrophobicContact CD2-CB 3.96Å; F582-C643 HydrophobicContact CG-CB 4.4Å; I593-C643 HydrophobicContact CD1-CB 3.92Å; I593-C643 HydrophobicContact CG1-CB 4.1Å; M639-C643 WeakPolarHBondContact O-CB 3.47Å; M639-C643 PolarHBondContact O-N 2.96Å; M639-C643 VanDerWaalsContact SD-SG 3.68Å; Y640-C643 PolarHBondContact O-N 3.48Å; C643-R690 PolarHBondContact O-NH1 3.24Å
644Y96.4Very high92.5Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-97.55.5-172.9-67.8-64.6000115.4F582 Y640 M642 R646 F647 D661 R664 I668F582-Y644 AromaticContact CE2-CD1 3.9Å; F582-Y644 HydrophobicContact CE2-CD1 3.9Å; F582-Y644 AromaticContact CE2-CE1 3.61Å; F582-Y644 HydrophobicContact CE2-CE1 3.61Å; F582-Y644 HydrophobicContact CZ-CD1 4.03Å; F582-Y644 AromaticContact CZ-CE1 3.98Å; F582-Y644 HydrophobicContact CZ-CE1 3.98Å; Y640-Y644 HydrophobicContact CD1-CD2 4.07Å; Y640-Y644 AromaticContact CD2-CD2 3.58Å; Y640-Y644 HydrophobicContact CD2-CD2 3.58Å; Y640-Y644 AromaticContact CD2-CE2 3.65Å; Y640-Y644 HydrophobicContact CD2-CE2 3.65Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.47Å; Y640-Y644 HydrophobicContact CE2-CD2 3.47Å; Y640-Y644 VanDerWaalsContact CE2-CD2 3.47Å; Y640-Y644 AromaticContact CE2-CE2 3.46Å; Y640-Y644 HydrophobicContact CE2-CE2 3.46Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.46Å; Y640-Y644 AromaticContact CG-CD2 3.89Å; Y640-Y644 HydrophobicContact CG-CD2 3.89Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.66Å; Y640-Y644 WeakPolarHBondContact O-CB 3.24Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.29Å; Y640-Y644 PolarHBondContact O-N 3.44Å; M642-Y644 PolarHBondContact O-N 2.82Å; Y644-R646 PolarHBondContact O-N 3.42Å; Y644-R646 VanDerWaalsContact O-N 3.16Å; Y644-F647 HydrophobicContact CD1-CB 4.31Å; Y644-F647 AromaticContact CD1-CD1 3.65Å; Y644-F647 HydrophobicContact CD1-CD1 3.65Å; Y644-F647 HydrophobicContact CD1-CE1 4.31Å; Y644-F647 HydrophobicContact CD1-CG 4.22Å; Y644-F647 HydrophobicContact CE1-CD1 4.07Å; Y644-F647 HydrophobicContact CE1-CE1 4.27Å; Y644-F647 VanDerWaalsContact O-CB 3.29Å; Y644-F647 WeakPolarHBondContact O-CB 3.4Å; Y644-F647 PolarHBondContact O-N 2.78Å; Y644-D661 WeakPolarHBondContact CE1-OD2 3.38Å; Y644-D661 PolarHBondContact OH-OD2 3.29Å; Y644-R664 PolarHBondContact OH-NE 3.29Å; Y644-R664 PolarHBondContact OH-NH2 3.47Å; Y644-I668 HydrophobicContact CD1-CG2 3.63Å; Y644-I668 HydrophobicContact CE1-CG2 3.46Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.46Å; Y644-I668 HydrophobicContact CG-CG2 4.27Å
645Y96.4Very high92Very high17 Ų1748.5 Ų48.57%0.06724%0.238CC..THydrogen-bonded Turntrans-54.7123.6180-174.3-116.1000111K641 F647 F673 E674 L675 E680 R690 Y692K641-Y645 WeakPolarHBondContact O-CB 3.41Å; K641-Y645 PolarHBondContact O-N 2.87Å; K641-Y645 VanDerWaalsContact O-N 3.1Å; Y645-F647 PolarHBondContact O-N 2.71Å; Y645-F647 VanDerWaalsContact O-N 3.08Å; Y645-F673 HydrophobicContact CD2-CD2 4.35Å; Y645-F673 AromaticContact CD2-CE2 4Å; Y645-F673 HydrophobicContact CD2-CE2 4Å; Y645-E674 PolarHBondContact OH-OE2 3.07Å; Y645-L675 HydrophobicContact CD1-CD1 4.15Å; Y645-L675 HydrophobicContact CD2-CD1 3.84Å; Y645-L675 HydrophobicContact CD2-CG 3.77Å; Y645-L675 HydrophobicContact CE2-CD1 4.29Å; Y645-L675 HydrophobicContact CE2-CG 4.09Å; Y645-L675 HydrophobicContact CG-CD1 3.77Å; Y645-L675 HydrophobicContact CG-CG 4.23Å; Y645-E680 HydrophobicContact CD1-CB 4.38Å; Y645-E680 HydrophobicContact CE1-CB 4.29Å; Y645-R690 PolarHBondContact O-NH1 2.6Å; Y645-R690 PolarHBondContact O-NH2 3.08Å; Y645-Y692 HydrophobicContact CD1-CE1 4.38Å
646R94.8Very high91.8Very high147 Ų14753.8 Ų53.856%0.55526%0.257SS*.THydrogen-bonded Turntrans607.7-175.9-59.4177176.1-162.8-1116.3Y644 G648Y644-R646 PolarHBondContact O-N 3.42Å; Y644-R646 VanDerWaalsContact O-N 3.16Å; R646-G648 VanDerWaalsContact C-N 3.32Å; R646-G648 PolarHBondContact O-N 2.79Å
647F94.8Very high91.6Very high0 Ų052.2 Ų52.20%025%0.251CS..G310 helixtrans-73.9-23.2-179.9-173-109.5000113F582 Y644 Y645 Q649 V650 T652 G659 Y660 I668 W687F582-F647 AromaticContact CE1-CD2 3.62Å; F582-F647 HydrophobicContact CE1-CD2 3.62Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.16Å; F582-F647 HydrophobicContact CE1-CZ 4.22Å; F582-F647 HydrophobicContact CZ-CD1 4.05Å; F582-F647 AromaticContact CZ-CD2 3.77Å; F582-F647 HydrophobicContact CZ-CD2 3.77Å; F582-F647 AromaticContact CZ-CE1 3.96Å; F582-F647 HydrophobicContact CZ-CE1 3.96Å; F582-F647 AromaticContact CZ-CE2 3.67Å; F582-F647 HydrophobicContact CZ-CE2 3.67Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.76Å; F582-F647 HydrophobicContact CZ-CZ 3.76Å; Y644-F647 HydrophobicContact CD1-CB 4.31Å; Y644-F647 AromaticContact CD1-CD1 3.65Å; Y644-F647 HydrophobicContact CD1-CD1 3.65Å; Y644-F647 HydrophobicContact CD1-CE1 4.31Å; Y644-F647 HydrophobicContact CD1-CG 4.22Å; Y644-F647 HydrophobicContact CE1-CD1 4.07Å; Y644-F647 HydrophobicContact CE1-CE1 4.27Å; Y644-F647 VanDerWaalsContact O-CB 3.29Å; Y644-F647 WeakPolarHBondContact O-CB 3.4Å; Y644-F647 PolarHBondContact O-N 2.78Å; Y645-F647 PolarHBondContact O-N 2.71Å; Y645-F647 VanDerWaalsContact O-N 3.08Å; F647-Q649 PolarHBondContact O-N 2.7Å; F647-V650 HydrophobicContact CD2-CB 4.33Å; F647-V650 PolarHBondContact O-N 3.35Å; F647-T652 HydrophobicContact CE2-CG2 3.79Å; F647-T652 HydrophobicContact CZ-CG2 3.57Å; F647-G659 WeakPolarHBondContact O-CA 3.42Å; F647-Y660 WeakPolarHBondContact CZ-O 2.93Å; F647-I668 HydrophobicContact CD1-CD1 4.2Å; F647-I668 HydrophobicContact CD1-CG2 4.11Å; F647-I668 HydrophobicContact CE1-CG2 4.34Å; F647-W687 HydrophobicContact CB-CZ3 4.07Å; F647-W687 AromaticContact CD2-CE3 3.84Å; F647-W687 HydrophobicContact CD2-CE3 3.84Å; F647-W687 AromaticContact CD2-CZ3 3.78Å; F647-W687 HydrophobicContact CD2-CZ3 3.78Å; F647-W687 HydrophobicContact CG-CZ3 4.43Å
648G91.4Very high91.4Very high4 Ų453.8 Ų53.84%0.04126%0.261CS..G310 helixtrans-59.9-18.9-177.700000115.8R646 P658 G659R646-G648 VanDerWaalsContact C-N 3.32Å; R646-G648 PolarHBondContact O-N 2.79Å; G648-P658 CarbonylContact O-C 3.55Å; G648-G659 PolarHBondContact O-N 2.96Å
649Q89.3Confident91.1Very high138 Ų13853.8 Ų53.865%0.64526%0.261SS*.G310 helixtrans-101.9-6.9-178.4-59.3178.18.600112.9F647 D672F647-Q649 PolarHBondContact O-N 2.7Å; Q649-D672 PolarHBondContact NE2-OD1 2.68Å
650V91.1Very high91Very high33 Ų3354.3 Ų54.320%0.226%0.263CS..  trans-85.1134.1-176.5-179.20000110.9L585 F647 T652 P658 G659 W687L585-V650 HydrophobicContact CD1-CG1 4.3Å; F647-V650 HydrophobicContact CD2-CB 4.33Å; F647-V650 PolarHBondContact O-N 3.35Å; V650-T652 HydrophobicContact CG1-CG2 4.38Å; V650-P658 WeakPolarHBondContact O-CA 3.42Å; V650-G659 PolarHBondContact O-N 3.19Å; V650-W687 HydrophobicContact CG2-CH2 3.32Å; V650-W687 HydrophobicContact CG2-CZ2 3.87Å; V650-W687 HydrophobicContact CG2-CZ3 3.74Å
651Y89.6Confident90.9Very high172 Ų17254.1 Ų54.168%0.67526%0.262SS*.  trans-90.7114.6170.9-70.2-87.3000110.1P658Y651-P658 HydrophobicContact CD1-CB 4.25Å; Y651-P658 HydrophobicContact CE1-CB 3.95Å; Y651-P658 HydrophobicContact CE1-CG 4.23Å; Y651-P658 HydrophobicContact CE2-CB 4.26Å
652T85.8Confident90.7Very high22 Ų2257.4 Ų57.414%0.13527%0.274CS..  trans-96.5-31.1-178.658.30000113.5L585 F647 V650 Y660L585-T652 HydrophobicContact CD1-CG2 3.57Å; F647-T652 HydrophobicContact CE2-CG2 3.79Å; F647-T652 HydrophobicContact CZ-CG2 3.57Å; V650-T652 HydrophobicContact CG1-CG2 4.38Å; T652-Y660 WeakPolarHBondContact CB-O 3.27Å; T652-Y660 WeakPolarHBondContact CG2-O 3.16Å; T652-Y660 PolarHBondContact OG1-O 2.98Å
653E83.4Confident90.5Very high62 Ų6258.9 Ų58.929%0.2928%0.283SS..SBendtrans-138.3146178.3-68.6-165.2162.100112.7K655 R656 R662E653-K655 PolarHBondContact O-N 2.85Å; E653-R656 HydrophobicContact CB-CB 4.11Å; E653-R656 HydrophobicContact CB-CG 3.83Å; E653-R656 PolarHBondContact O-N 3.44Å; E653-R662 HydrophobicContact CG-CG 4.36Å; E653-R662 IonicContact OE1-CZ 2.88Å; E653-R662 IonicContact OE1-NE 3.34Å; E653-R662 PolarHBondContact OE1-NE 3.11Å; E653-R662 IonicContact OE1-NH2 3.26Å; E653-R662 PolarHBondContact OE1-NH2 3.22Å
654G75.6Confident90.5Very high75 Ų7561 Ų6177%0.77329%0.291SS*.THydrogen-bonded Turntrans-64.8128.1171.100000110.8
655K84.8Confident90.3Very high222 Ų22266 Ų6697%0.96532%0.318SS*.THydrogen-bonded Turntrans78.37-176.6-48.8173.7178.4177.10116.3E653E653-K655 PolarHBondContact O-N 2.85Å
656R89.9Confident90.1Very high124 Ų12466 Ų6647%0.46832%0.321SS..SBendtrans-102.2155.4170.8-67.4-63.7-172168.52.3111.1E653 Y660E653-R656 HydrophobicContact CB-CB 4.11Å; E653-R656 HydrophobicContact CB-CG 3.83Å; E653-R656 PolarHBondContact O-N 3.44Å; R656-Y660 HydrophobicContact CB-CD1 4.09Å; R656-Y660 HydrophobicContact CB-CD2 4.42Å; R656-Y660 HydrophobicContact CB-CG 3.96Å; R656-Y660 HydrophobicContact CG-CD1 3.96Å; R656-Y660 HydrophobicContact CG-CE1 4.05Å; R656-Y660 HydrophobicContact CG-CG 4.24Å
657P89.3Confident90.1Very high45 Ų4562.3 Ų62.329%0.29231%0.31SS..PPolyproline II helixtrans-63.8157.7174.227.6-34.5000111.3Y660 E667P657-Y660 HydrophobicContact CG-CD2 4.44Å; P657-Y660 WeakPolarHBondContact O-CB 3.45Å; P657-E667 HydrophobicContact CG-CB 4.27Å; P657-E667 HydrophobicContact CG-CG 4.19Å; P657-E667 WeakPolarHBondContact CG-OE2 3.2Å
658P91.1Very high90.1Very high35 Ų3562.3 Ų62.323%0.22731%0.31CS..SBendtrans-64.2147.9171.628.8-34.3000110.6G648 V650 Y651 K671G648-P658 CarbonylContact O-C 3.55Å; V650-P658 WeakPolarHBondContact O-CA 3.42Å; Y651-P658 HydrophobicContact CD1-CB 4.25Å; Y651-P658 HydrophobicContact CE1-CB 3.95Å; Y651-P658 HydrophobicContact CE1-CG 4.23Å; Y651-P658 HydrophobicContact CE2-CB 4.26Å; P658-K671 PolarHBondContact O-NZ 3.23Å
659G90.9Very high90.1Very high0 Ų062.6 Ų62.60%031%0.312CS..SBendtrans7333.7-17400000113.5F647 G648 V650 I668F647-G659 WeakPolarHBondContact O-CA 3.42Å; G648-G659 PolarHBondContact O-N 2.96Å; V650-G659 PolarHBondContact O-N 3.19Å; G659-I668 PolarHBondContact O-N 2.6Å; G659-I668 VanDerWaalsContact O-N 3.09Å
660Y93.9Very high90.2Very high11 Ų1158.6 Ų58.64%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-90.9122.2176.7-171.2-101.4000111.3F647 T652 R656 P657 N665F647-Y660 WeakPolarHBondContact CZ-O 2.93Å; T652-Y660 WeakPolarHBondContact CB-O 3.27Å; T652-Y660 WeakPolarHBondContact CG2-O 3.16Å; T652-Y660 PolarHBondContact OG1-O 2.98Å; R656-Y660 HydrophobicContact CB-CD1 4.09Å; R656-Y660 HydrophobicContact CB-CD2 4.42Å; R656-Y660 HydrophobicContact CB-CG 3.96Å; R656-Y660 HydrophobicContact CG-CD1 3.96Å; R656-Y660 HydrophobicContact CG-CE1 4.05Å; R656-Y660 HydrophobicContact CG-CG 4.24Å; P657-Y660 HydrophobicContact CG-CD2 4.44Å; P657-Y660 WeakPolarHBondContact O-CB 3.45Å; Y660-N665 VanDerWaalsContact CZ-C 3.47Å; Y660-N665 VanDerWaalsContact OH-CA 3.28Å; Y660-N665 WeakPolarHBondContact OH-CA 3.4Å; Y660-N665 WeakPolarHBondContact OH-CB 3.27Å; Y660-N665 PolarHBondContact OH-O 3.36Å
661D93.7Very high90.1Very high0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-86.6117.9179-170.4-42.6000111Y644 V663 R664 N665 A666Y644-D661 WeakPolarHBondContact CE1-OD2 3.38Å; Y644-D661 PolarHBondContact OH-OD2 3.29Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.83Å; D661-V663 WeakPolarHBondContact OD1-CB 3.23Å; D661-V663 PolarHBondContact OD1-N 3.01Å; D661-R664 HydrophobicContact CB-CB 4.4Å; D661-R664 IonicContact OD1-CZ 3.14Å; D661-R664 PolarHBondContact OD1-N 3.05Å; D661-R664 VanDerWaalsContact OD1-N 3.13Å; D661-R664 IonicContact OD1-NE 2.96Å; D661-R664 IonicContact OD1-NH1 3.98Å; D661-R664 IonicContact OD2-CZ 3.35Å; D661-R664 IonicContact OD2-NE 3.49Å; D661-R664 PolarHBondContact OD2-NE 3.19Å; D661-R664 IonicContact OD2-NH1 3.68Å; D661-R664 IonicContact OD2-NH2 2.72Å; D661-R664 PolarHBondContact OD2-NH2 3.22Å; D661-N665 VanDerWaalsContact O-CA 3.22Å; D661-N665 WeakPolarHBondContact O-CA 3.17Å; D661-N665 PolarHBondContact O-N 3.43Å; D661-A666 PolarHBondContact N-O 3.33Å; D661-A666 PolarHBondContact O-N 3.49Å
662R91.8Very high90.1Very high98 Ų9856.7 Ų56.737%0.3729%0.294SS..THydrogen-bonded Turntrans-73.4-23.4-176.3-58.4-174.482.5-173.84.4113.7G584 L585 E653 N665G584-R662 WeakPolarHBondContact O-CB 3.18Å; G584-R662 WeakPolarHBondContact O-CG 3.45Å; G584-R662 PolarHBondContact O-N 3.17Å; L585-R662 WeakPolarHBondContact O-CD 3.46Å; E653-R662 HydrophobicContact CG-CG 4.36Å; E653-R662 IonicContact OE1-CZ 2.88Å; E653-R662 IonicContact OE1-NE 3.34Å; E653-R662 PolarHBondContact OE1-NE 3.11Å; E653-R662 IonicContact OE1-NH2 3.26Å; E653-R662 PolarHBondContact OE1-NH2 3.22Å; R662-N665 PolarHBondContact O-OD1 3.28Å
663V92.5Very high90.4Very high31 Ų3157.2 Ų57.219%0.18829%0.294CS..THydrogen-bonded Turntrans-81.2-45.8-179.6178.30000109.8G583 Y588 N594 D661G583-V663 VanDerWaalsContact O-CG2 3.31Å; G583-V663 WeakPolarHBondContact O-CG2 3.24Å; Y588-V663 WeakPolarHBondContact O-CG2 3.46Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.36Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.83Å; D661-V663 WeakPolarHBondContact OD1-CB 3.23Å; D661-V663 PolarHBondContact OD1-N 3.01Å
664R93.5Very high90.9Very high46 Ų4660.2 Ų60.217%0.17431%0.309CS..THydrogen-bonded Turntrans-87.8-9.4-178.9-8177.283-172.77.3113.1D591 I593 V626 Y644 D661 A666D591-R664 IonicContact OD1-NH1 2.69Å; D591-R664 PolarHBondContact OD1-NH1 2.7Å; D591-R664 IonicContact OD2-CZ 3.72Å; D591-R664 IonicContact OD2-NH1 2.74Å; D591-R664 PolarHBondContact OD2-NH1 2.76Å; D591-R664 IonicContact OD2-NH2 2.91Å; I593-R664 VanDerWaalsContact CB-NH2 3.27Å; V626-R664 HydrophobicContact CG2-CB 3.96Å; V626-R664 HydrophobicContact CG2-CG 4.17Å; Y644-R664 PolarHBondContact OH-NE 3.29Å; Y644-R664 PolarHBondContact OH-NH2 3.47Å; D661-R664 HydrophobicContact CB-CB 4.4Å; D661-R664 IonicContact OD1-CZ 3.14Å; D661-R664 PolarHBondContact OD1-N 3.05Å; D661-R664 VanDerWaalsContact OD1-N 3.13Å; D661-R664 IonicContact OD1-NE 2.96Å; D661-R664 IonicContact OD1-NH1 3.98Å; D661-R664 IonicContact OD2-CZ 3.35Å; D661-R664 IonicContact OD2-NE 3.49Å; D661-R664 PolarHBondContact OD2-NE 3.19Å; D661-R664 IonicContact OD2-NH1 3.68Å; D661-R664 IonicContact OD2-NH2 2.72Å; D661-R664 PolarHBondContact OD2-NH2 3.22Å; R664-A666 HydrophobicContact CB-CB 4.47Å; R664-A666 PolarHBondContact O-N 3.27Å
665N93Very high91.8Very high105 Ų10557 Ų5756%0.56127%0.274SS*.THydrogen-bonded Turntrans5434-176.7-65.3-60.5000113.5Y660 D661 R662Y660-N665 VanDerWaalsContact CZ-C 3.47Å; Y660-N665 VanDerWaalsContact OH-CA 3.28Å; Y660-N665 WeakPolarHBondContact OH-CA 3.4Å; Y660-N665 WeakPolarHBondContact OH-CB 3.27Å; Y660-N665 PolarHBondContact OH-O 3.36Å; D661-N665 VanDerWaalsContact O-CA 3.22Å; D661-N665 WeakPolarHBondContact O-CA 3.17Å; D661-N665 PolarHBondContact O-N 3.43Å; R662-N665 PolarHBondContact O-OD1 3.28Å
666A92.4Very high92.2Very high17 Ų1749.4 Ų49.414%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-131.2149.9-173.300000111.8V626 D627 D661 R664V626-A666 HydrophobicContact CG2-CB 4.1Å; D627-A666 HydrophobicContact CB-CB 4.47Å; D661-A666 PolarHBondContact N-O 3.33Å; D661-A666 PolarHBondContact O-N 3.49Å; R664-A666 HydrophobicContact CB-CB 4.47Å; R664-A666 PolarHBondContact O-N 3.27Å
667E94.4Very high92.4Very high69 Ų6943.6 Ų43.632%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-80.5131.1168.5-178.6179175.300109.1D627 P657 K671D627-E667 WeakPolarHBondContact CA-O 3.36Å; D627-E667 WeakPolarHBondContact CB-O 3.25Å; P657-E667 HydrophobicContact CG-CB 4.27Å; P657-E667 HydrophobicContact CG-CG 4.19Å; P657-E667 WeakPolarHBondContact CG-OE2 3.2Å; E667-K671 WeakPolarHBondContact OE1-CE 3.24Å; E667-K671 IonicContact OE1-NZ 3.2Å; E667-K671 PolarHBondContact OE1-NZ 2.64Å
668I94.2Very high92.7Very high0 Ų041.6 Ų41.60%021%0.208CC..  trans-62.9142.3-17766.5176.9000112.2Y644 F647 G659 K671Y644-I668 HydrophobicContact CD1-CG2 3.63Å; Y644-I668 HydrophobicContact CE1-CG2 3.46Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.46Å; Y644-I668 HydrophobicContact CG-CG2 4.27Å; F647-I668 HydrophobicContact CD1-CD1 4.2Å; F647-I668 HydrophobicContact CD1-CG2 4.11Å; F647-I668 HydrophobicContact CE1-CG2 4.34Å; G659-I668 PolarHBondContact O-N 2.6Å; G659-I668 VanDerWaalsContact O-N 3.09Å; I668-K671 HydrophobicContact CD1-CG 4.4Å; I668-K671 HydrophobicContact CG1-CG 4.04Å
669G90.9Very high93Very high9 Ų943.5 Ų43.59%0.09322%0.215CC..SBendtrans-66.3-55.7179.400000113.3V626 D627 Y640V626-G669 PolarHBondContact O-N 2.97Å; D627-G669 VanDerWaalsContact C-CA 3.41Å; Y640-G669 PolarHBondContact OH-N 3.41Å
670N92.4Very high93.3Very high55 Ų5546.6 Ų46.629%0.29423%0.229SC..  trans-99.3109.5179.1-76.4-3.9000110L635 Y640 F673L635-N670 HydrophobicContact CD2-CB 4.44Å; L635-N670 PolarHBondContact O-ND2 3.5Å; Y640-N670 HydrophobicContact CE1-CB 4.08Å; Y640-N670 PolarHBondContact OH-N 2.66Å; N670-F673 HydrophobicContact CB-CD1 4.16Å
671K88.5Confident93.4Very high42 Ų4247.8 Ų47.818%0.18324%0.241CC..  trans-85.7-39.6-177.5-66-160.3177.2-152.80114.1P658 E667 I668P658-K671 PolarHBondContact O-NZ 3.23Å; E667-K671 WeakPolarHBondContact OE1-CE 3.24Å; E667-K671 IonicContact OE1-NZ 3.2Å; E667-K671 PolarHBondContact OE1-NZ 2.64Å; I668-K671 HydrophobicContact CD1-CG 4.4Å; I668-K671 HydrophobicContact CG1-CG 4.04Å
672D89.3Confident93.6Very high122 Ų12250.6 Ų50.665%0.65225%0.252SS*.  trans-125116.5-174.8-56.1-54.4000108.6Q649Q649-D672 PolarHBondContact NE2-OD1 2.68Å
673F92.7Very high93.9Very high33 Ų3347.3 Ų47.315%0.14524%0.243CC..  trans-153154.8173.658.4-94.6000108.7Y640 K641 Y645 N670Y640-F673 HydrophobicContact CE1-CE1 4.33Å; K641-F673 VanDerWaalsContact CA-CE2 3.43Å; K641-F673 HydrophobicContact CB-CD2 4.15Å; K641-F673 HydrophobicContact CB-CE2 3.65Å; K641-F673 HydrophobicContact CB-CZ 4.25Å; K641-F673 HydrophobicContact CD-CD2 4.32Å; K641-F673 HydrophobicContact CG-CD2 3.97Å; K641-F673 HydrophobicContact CG-CE2 3.91Å; K641-F673 HydrophobicContact CG-CZ 4.45Å; K641-F673 WeakPolarHBondContact O-CE2 3.21Å; K641-F673 VanDerWaalsContact O-CZ 3.3Å; K641-F673 WeakPolarHBondContact O-CZ 3.28Å; Y645-F673 HydrophobicContact CD2-CD2 4.35Å; Y645-F673 AromaticContact CD2-CE2 4Å; Y645-F673 HydrophobicContact CD2-CE2 4Å; N670-F673 HydrophobicContact CB-CD1 4.16Å
674E93Very high94.1Very high126 Ų12645.9 Ų45.959%0.58923%0.234SC*.  trans-105.6159.6175.2-65.6-62.7167.600111.1Y645Y645-E674 PolarHBondContact OH-OE2 3.07Å
675L94.6Very high94.1Very high8 Ų850.7 Ų50.74%0.04226%0.259CS..  trans-104111.5173.1-66.5173.5000108.7K641 Y645 L678 Y692 K695K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.48Å; Y645-L675 HydrophobicContact CD1-CD1 4.15Å; Y645-L675 HydrophobicContact CD2-CD1 3.84Å; Y645-L675 HydrophobicContact CD2-CG 3.77Å; Y645-L675 HydrophobicContact CE2-CD1 4.29Å; Y645-L675 HydrophobicContact CE2-CG 4.09Å; Y645-L675 HydrophobicContact CG-CD1 3.77Å; Y645-L675 HydrophobicContact CG-CG 4.23Å; L675-L678 HydrophobicContact CB-CB 4.22Å; L675-L678 WeakPolarHBondContact CB-O 2.95Å; L675-L678 HydrophobicContact CD1-CB 4.27Å; L675-Y692 HydrophobicContact CD1-CD1 3.79Å; L675-Y692 HydrophobicContact CD1-CE1 3.53Å; L675-K695 PolarHBondContact O-NZ 3.47Å
676D93.8Very high94.1Very high62 Ų6248 Ų4833%0.33224%0.243SC..SBendtrans-77.6-44.9-173.5-63.6-43.6000110.2E563 K695 R704E563-D676 PolarHBondContact OE2-N 2.85Å; D676-K695 WeakPolarHBondContact O-CD 3.13Å; D676-K695 PolarHBondContact O-NZ 2.84Å; D676-R704 WeakPolarHBondContact CB-O 3.35Å
677V94.3Very high94.2Very high2 Ų250 Ų501%0.01225%0.247CC..SBendtrans-99.4-11.6-173-57.20000114.5E563 Y567 K695 T705E563-V677 HydrophobicContact CB-CG2 4.05Å; E563-V677 HydrophobicContact CG-CG2 4.2Å; E563-V677 PolarHBondContact OE2-N 3.31Å; Y567-V677 HydrophobicContact CD1-CG1 4.27Å; Y567-V677 HydrophobicContact CD2-CB 3.55Å; Y567-V677 HydrophobicContact CD2-CG1 4.06Å; Y567-V677 HydrophobicContact CD2-CG2 4.05Å; Y567-V677 HydrophobicContact CE2-CB 4.09Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.85Å; Y567-V677 HydrophobicContact CG-CG2 4.28Å; V677-K695 WeakPolarHBondContact O-CB 3.45Å; V677-K695 PolarHBondContact O-N 3.48Å; V677-T705 HydrophobicContact CG1-CG2 4.33Å
678L95.9Very high94.2Very high2 Ų246.8 Ų46.81%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-118.4150.3-180-63.7-179.1000111.6M570 V578 L638 M642 L675 Y692 V694 K695M570-L678 HydrophobicContact CE-CD2 4.07Å; M570-L678 HydrophobicContact SD-CD2 4.38Å; V578-L678 HydrophobicContact CG2-CD2 4.47Å; L638-L678 HydrophobicContact CD1-CD1 3.83Å; M642-L678 HydrophobicContact CG-CD1 3.7Å; M642-L678 HydrophobicContact SD-CD1 3.65Å; L675-L678 HydrophobicContact CB-CB 4.22Å; L675-L678 WeakPolarHBondContact CB-O 2.95Å; L675-L678 HydrophobicContact CD1-CB 4.27Å; L678-Y692 HydrophobicContact CD1-CG 4.48Å; L678-V694 HydrophobicContact CD2-CB 4.31Å; L678-V694 HydrophobicContact CD2-CG2 3.87Å; L678-K695 WeakPolarHBondContact O-CE 3.44Å; L678-K695 PolarHBondContact O-NZ 3.47Å
679E96.4Very high94.4Very high76 Ų7646.8 Ų46.836%0.35523%0.232SC..EExtended strand (participates in β ladder)trans-121.6138.9168.165.4-172.2179.400110A681 Y692 K693 K695E679-A681 PolarHBondContact O-N 3.38Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.31Å; E679-Y692 WeakPolarHBondContact O-CA 3.47Å; E679-K693 HydrophobicContact CG-CB 3.73Å; E679-K693 HydrophobicContact CG-CG 4.21Å; E679-K693 PolarHBondContact N-O 2.98Å; E679-K693 PolarHBondContact O-N 3.38Å; E679-K693 VanDerWaalsContact OE1-CD 3.25Å; E679-K693 WeakPolarHBondContact OE1-CD 3.38Å; E679-K693 WeakPolarHBondContact OE1-CE 3.47Å; E679-K693 WeakPolarHBondContact OE1-CG 3.36Å; E679-K693 IonicContact OE1-NZ 3.65Å; E679-K693 PolarHBondContact OE1-NZ 3.42Å; E679-K695 HydrophobicContact CB-CG 4.32Å; E679-K695 HydrophobicContact CG-CG 4.34Å
680E97.5Very high94.7Very high64 Ų6446.3 Ų46.330%0.29923%0.227SC..EExtended strand (participates in β ladder)trans-69.9116.2175-176.7173.7-148.500109.1Y645 T683 R690 Y692Y645-E680 HydrophobicContact CD1-CB 4.38Å; Y645-E680 HydrophobicContact CE1-CB 4.29Å; E680-T683 WeakPolarHBondContact OE1-CB 3.33Å; E680-T683 PolarHBondContact OE1-OG1 2.98Å; E680-R690 IonicContact OE1-CZ 3.63Å; E680-R690 IonicContact OE1-NE 2.85Å; E680-R690 IonicContact OE1-NH2 3.21Å; E680-R690 PolarHBondContact OE1-NH2 3.23Å; E680-Y692 HydrophobicContact CB-CD1 4.23Å; E680-Y692 HydrophobicContact CB-CE1 3.92Å; E680-Y692 HydrophobicContact CG-CE1 4.22Å
681A97.4Very high95Very high36 Ų3643.7 Ų43.730%0.29821%0.213SC..EExtended strand (participates in β ladder)trans-96.8-39.1-177.800000111.8W511 Y577 E679 I691 K693W511-A681 HydrophobicContact CH2-CB 3.81Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; Y577-A681 HydrophobicContact CD1-CB 4.43Å; Y577-A681 HydrophobicContact CE1-CB 4.19Å; E679-A681 PolarHBondContact O-N 3.38Å; A681-I691 WeakPolarHBondContact CB-O 3.17Å; A681-I691 PolarHBondContact N-O 3.21Å; A681-K693 HydrophobicContact CB-CB 4.07Å
682Y98.1Very high95.4Very high59 Ų5941.7 Ų41.723%0.23120%0.204CC..EExtended strand (participates in β ladder)trans-156.4144.9177.2-166.2-105000111.5E507 W511 T684 I691E507-Y682 HydrophobicContact CG-CE1 4.43Å; E507-Y682 PolarHBondContact OE1-OH 3.38Å; W511-Y682 HydrophobicContact CB-CD1 4.32Å; W511-Y682 HydrophobicContact CB-CE1 4.24Å; W511-Y682 HydrophobicContact CB-CE2 4.48Å; W511-Y682 HydrophobicContact CB-CG 4.48Å; W511-Y682 AromaticContact CD1-CD2 3.41Å; W511-Y682 VanDerWaalsContact CD1-CD2 3.41Å; W511-Y682 AromaticContact CD1-CE2 3.48Å; W511-Y682 VanDerWaalsContact CD1-CE2 3.48Å; W511-Y682 AromaticContact CD1-CG 3.98Å; W511-Y682 HydrophobicContact CD2-CD1 4.26Å; W511-Y682 AromaticContact CD2-CD2 3.86Å; W511-Y682 HydrophobicContact CD2-CD2 3.86Å; W511-Y682 AromaticContact CD2-CG 3.68Å; W511-Y682 HydrophobicContact CD2-CG 3.68Å; W511-Y682 AromaticContact CE2-CD2 3.68Å; W511-Y682 AromaticContact CE2-CG 3.85Å; W511-Y682 HydrophobicContact CE3-CG 4.16Å; W511-Y682 HydrophobicContact CG-CD1 4.12Å; W511-Y682 AromaticContact CG-CD2 3.72Å; W511-Y682 HydrophobicContact CG-CD2 3.72Å; W511-Y682 HydrophobicContact CG-CE1 4.34Å; W511-Y682 AromaticContact CG-CE2 3.93Å; W511-Y682 HydrophobicContact CG-CE2 3.93Å; W511-Y682 AromaticContact CG-CG 3.8Å; W511-Y682 HydrophobicContact CG-CG 3.8Å; W511-Y682 HydrophobicContact CZ2-CD2 4.44Å; W511-Y682 HydrophobicContact CZ2-CG 4.47Å; W511-Y682 AromaticContact NE1-CD2 3.36Å; W511-Y682 AromaticContact NE1-CE2 3.85Å; W511-Y682 AromaticContact NE1-CG 3.98Å; Y682-T684 HydrophobicContact CE1-CG2 4.06Å; Y682-I691 HydrophobicContact CD1-CD1 4.46Å; Y682-I691 PolarHBondContact N-O 2.95Å; Y682-I691 PolarHBondContact O-N 2.97Å
683T97.4Very high95.8Very high29 Ų2939.4 Ų39.418%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-139.1132.2169.8-73.10000107.4E680 W687 R690E680-T683 WeakPolarHBondContact OE1-CB 3.33Å; E680-T683 PolarHBondContact OE1-OG1 2.98Å; T683-W687 HydrophobicContact CG2-CB 4.09Å; T683-W687 HydrophobicContact CG2-CD2 4.16Å; T683-W687 HydrophobicContact CG2-CG 3.72Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.31Å
684T96.6Very high96Very high2 Ų238.2 Ų38.21%0.01218%0.184CC..  trans-68.4166-176.760.40000112.6D504 A508 Y682 H686 W687 L688 V689D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.31Å; D504-T684 WeakPolarHBondContact O-CG2 3.46Å; D504-T684 VanDerWaalsContact OD2-CB 3.32Å; D504-T684 WeakPolarHBondContact OD2-CB 3.35Å; D504-T684 PolarHBondContact OD2-OG1 3.41Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; Y682-T684 HydrophobicContact CE1-CG2 4.06Å; T684-H686 VanDerWaalsContact C-N 3.27Å; T684-H686 PolarHBondContact O-N 2.83Å; T684-W687 PolarHBondContact O-N 3.13Å; T684-L688 PolarHBondContact OG1-N 3.37Å; T684-V689 HydrophobicContact CG2-CB 3.85Å; T684-V689 HydrophobicContact CG2-CG2 4.46Å; T684-V689 PolarHBondContact N-O 2.87Å; T684-V689 VanDerWaalsContact N-O 3.14Å; T684-V689 PolarHBondContact OG1-N 3.36Å
685E94Very high96.1Very high147 Ų14734.7 Ų34.769%0.68717%0.167SC*.THydrogen-bonded Turntrans-49.1-44.7-179.1-174.4177.1-168.700113.2
686H92.9Very high96Very high48 Ų4839.6 Ų39.622%0.22219%0.193CC..THydrogen-bonded Turntrans-103.118.8-178.8-47.885.3000113.1F502 D504 T586 T684 L688F502-H686 AromaticContact CD1-CD2 3.78Å; F502-H686 AromaticContact CD1-CE1 3.64Å; F502-H686 AromaticContact CD1-CG 3.87Å; F502-H686 AromaticContact CD1-ND1 3.75Å; F502-H686 AromaticContact CD1-NE2 3.6Å; F502-H686 AromaticContact CE1-CD2 3.8Å; F502-H686 AromaticContact CE1-NE2 3.69Å; D504-H686 IonicContact OD1-CE1 2.71Å; D504-H686 IonicContact OD1-CG 3.03Å; D504-H686 IonicContact OD1-ND1 3.82Å; D504-H686 PolarHBondContact OD1-ND1 2.92Å; D504-H686 WeakPolarHBondContact OD2-CA 3.48Å; D504-H686 VanDerWaalsContact OD2-CB 3.29Å; D504-H686 WeakPolarHBondContact OD2-CB 3.42Å; D504-H686 IonicContact OD2-CG 3.92Å; D504-H686 PolarHBondContact OD2-N 3.25Å; D504-H686 IonicContact OD2-ND1 3.38Å; T586-H686 HydrophobicContact CG2-CB 3.53Å; T684-H686 VanDerWaalsContact C-N 3.27Å; T684-H686 PolarHBondContact O-N 2.83Å; H686-L688 PolarHBondContact O-N 3.26Å; H686-L688 VanDerWaalsContact O-N 3.12Å
687W94.4Very high95.8Very high59 Ų5942.3 Ų42.322%0.22321%0.207CC..SBendtrans57.424.8177.9-66.327.2000113.6F582 L585 F647 V650 T683 T684F582-W687 HydrophobicContact CD1-CB 4.36Å; F582-W687 WeakPolarHBondContact CD1-O 3.4Å; F582-W687 HydrophobicContact CE1-CE3 4.46Å; L585-W687 HydrophobicContact CB-CB 4.48Å; L585-W687 HydrophobicContact CD2-CB 4.19Å; L585-W687 HydrophobicContact CD2-CG 4.17Å; F647-W687 HydrophobicContact CB-CZ3 4.07Å; F647-W687 AromaticContact CD2-CE3 3.84Å; F647-W687 HydrophobicContact CD2-CE3 3.84Å; F647-W687 AromaticContact CD2-CZ3 3.78Å; F647-W687 HydrophobicContact CD2-CZ3 3.78Å; F647-W687 HydrophobicContact CG-CZ3 4.43Å; V650-W687 HydrophobicContact CG2-CH2 3.32Å; V650-W687 HydrophobicContact CG2-CZ2 3.87Å; V650-W687 HydrophobicContact CG2-CZ3 3.74Å; T683-W687 HydrophobicContact CG2-CB 4.09Å; T683-W687 HydrophobicContact CG2-CD2 4.16Å; T683-W687 HydrophobicContact CG2-CG 3.72Å; T684-W687 PolarHBondContact O-N 3.13Å
688L94.8Very high95.5Very high1 Ų144.5 Ų44.51%0.00522%0.218CC..  trans-75.5-40.1-177-164.9122.4000112.6L490 D504 F505 I581 F582 T586 Y588 T684 H686L490-L688 HydrophobicContact CD1-CD1 3.47Å; L490-L688 VanDerWaalsContact CD1-CD1 3.47Å; L490-L688 HydrophobicContact CD1-CD2 4.48Å; D504-L688 HydrophobicContact CB-CB 3.67Å; D504-L688 HydrophobicContact CB-CD2 4.17Å; D504-L688 HydrophobicContact CB-CG 4.47Å; D504-L688 WeakPolarHBondContact OD2-CB 3.49Å; F505-L688 HydrophobicContact CD1-CD2 4.4Å; F505-L688 HydrophobicContact CD2-CD2 3.63Å; F505-L688 HydrophobicContact CE1-CD2 4.16Å; F505-L688 HydrophobicContact CE2-CD2 3.29Å; F505-L688 HydrophobicContact CG-CD2 4.18Å; F505-L688 HydrophobicContact CZ-CD2 3.58Å; I581-L688 CarbonylContact C-O 3.55Å; I581-L688 WeakPolarHBondContact CA-O 3.44Å; I581-L688 HydrophobicContact CG2-CD2 4.45Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å; F582-L688 PolarHBondContact N-O 3.41Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.4Å; T586-L688 HydrophobicContact CG2-CD1 4.09Å; Y588-L688 HydrophobicContact CG-CD1 4.37Å; T684-L688 PolarHBondContact OG1-N 3.37Å; H686-L688 PolarHBondContact O-N 3.26Å; H686-L688 VanDerWaalsContact O-N 3.12Å
689V96.9Very high95.1Very high0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-120.2131.1176.3-172.80000108.9F505 A508 L579 T684 I691F505-V689 HydrophobicContact CD1-CG2 4.22Å; A508-V689 HydrophobicContact CB-CB 3.65Å; A508-V689 HydrophobicContact CB-CG1 3.58Å; A508-V689 HydrophobicContact CB-CG2 4.14Å; L579-V689 HydrophobicContact CD1-CG1 3.96Å; L579-V689 HydrophobicContact CD2-CG1 3.88Å; L579-V689 HydrophobicContact CG-CG1 3.77Å; T684-V689 HydrophobicContact CG2-CB 3.85Å; T684-V689 HydrophobicContact CG2-CG2 4.46Å; T684-V689 PolarHBondContact N-O 2.87Å; T684-V689 VanDerWaalsContact N-O 3.14Å; T684-V689 PolarHBondContact OG1-N 3.36Å; V689-I691 HydrophobicContact CG1-CG1 4.49Å
690R97.7Very high94.7Very high0 Ų058.6 Ų58.60%028%0.281CS..EExtended strand (participates in β ladder)trans-122.9132.6178.1-49.2-169.975.7174.1-1.8109.5V580 F582 C643 Y645 E680 T683 Y692V580-R690 HydrophobicContact CG2-CB 3.97Å; V580-R690 PolarHBondContact N-O 3.26Å; V580-R690 PolarHBondContact O-N 3.04Å; F582-R690 HydrophobicContact CB-CG 4.48Å; C643-R690 PolarHBondContact O-NH1 3.24Å; Y645-R690 PolarHBondContact O-NH1 2.6Å; Y645-R690 PolarHBondContact O-NH2 3.08Å; E680-R690 IonicContact OE1-CZ 3.63Å; E680-R690 IonicContact OE1-NE 2.85Å; E680-R690 IonicContact OE1-NH2 3.21Å; E680-R690 PolarHBondContact OE1-NH2 3.23Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.31Å; R690-Y692 HydrophobicContact CB-CE2 3.67Å; R690-Y692 PolarHBondContact NE-OH 3.01Å; R690-Y692 PolarHBondContact NH2-OH 3.16Å
691I98.3Very high94Very high0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans-119.6120.6-178.4-53.5173.4000108.2A508 W511 L512 Y577 V578 L579 A681 Y682 V689A508-I691 HydrophobicContact CB-CD1 4.28Å; W511-I691 HydrophobicContact CE3-CD1 3.62Å; W511-I691 HydrophobicContact CZ3-CB 4.35Å; W511-I691 HydrophobicContact CZ3-CD1 3.91Å; W511-I691 HydrophobicContact CZ3-CG2 3.98Å; L512-I691 HydrophobicContact CB-CD1 4.32Å; L512-I691 HydrophobicContact CD1-CD1 4.41Å; L512-I691 HydrophobicContact CD1-CG2 4.42Å; Y577-I691 HydrophobicContact CD1-CG2 3.93Å; Y577-I691 HydrophobicContact CG-CG2 4.45Å; V578-I691 WeakPolarHBondContact O-CA 3.17Å; L579-I691 HydrophobicContact CD1-CG1 4.29Å; L579-I691 HydrophobicContact CG-CG1 4.34Å; A681-I691 WeakPolarHBondContact CB-O 3.17Å; A681-I691 PolarHBondContact N-O 3.21Å; Y682-I691 HydrophobicContact CD1-CD1 4.46Å; Y682-I691 PolarHBondContact N-O 2.95Å; Y682-I691 PolarHBondContact O-N 2.97Å; V689-I691 HydrophobicContact CG1-CG1 4.49Å
692Y98.2Very high93.2Very high0 Ų062.6 Ų62.60%032%0.315CS..EExtended strand (participates in β ladder)trans-108.3141.4177.2-65.3-84.6000109.8Y577 V578 V580 M642 Y645 L675 L678 E679 E680 R690Y577-Y692 CarbonylContact C-O 3.34Å; Y577-Y692 VanDerWaalsContact CA-O 3.22Å; Y577-Y692 WeakPolarHBondContact CA-O 3.35Å; V578-Y692 PolarHBondContact N-O 3.31Å; V578-Y692 PolarHBondContact O-N 3.17Å; V580-Y692 HydrophobicContact CG2-CD2 4.35Å; V580-Y692 HydrophobicContact CG2-CE2 3.97Å; M642-Y692 HydrophobicContact CB-CD2 4.21Å; M642-Y692 HydrophobicContact CB-CE2 3.93Å; M642-Y692 HydrophobicContact CG-CD2 4.2Å; M642-Y692 HydrophobicContact CG-CE2 4.36Å; M642-Y692 WeakPolarHBondContact O-CE2 3.48Å; M642-Y692 VanDerWaalsContact O-CZ 3.28Å; M642-Y692 PolarHBondContact O-OH 3.17Å; M642-Y692 HydrophobicContact SD-CD2 4.4Å; Y645-Y692 HydrophobicContact CD1-CE1 4.38Å; L675-Y692 HydrophobicContact CD1-CD1 3.79Å; L675-Y692 HydrophobicContact CD1-CE1 3.53Å; L678-Y692 HydrophobicContact CD1-CG 4.48Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.31Å; E679-Y692 WeakPolarHBondContact O-CA 3.47Å; E680-Y692 HydrophobicContact CB-CD1 4.23Å; E680-Y692 HydrophobicContact CB-CE1 3.92Å; E680-Y692 HydrophobicContact CG-CE1 4.22Å; R690-Y692 HydrophobicContact CB-CE2 3.67Å; R690-Y692 PolarHBondContact NE-OH 3.01Å; R690-Y692 PolarHBondContact NH2-OH 3.16Å
693K98Very high92Very high74 Ų7464.8 Ų64.832%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-98.4133.7171.1174.2163.9164.7-112.10109.4Y577 E679 A681 K695Y577-K693 HydrophobicContact CD1-CB 3.92Å; Y577-K693 HydrophobicContact CD1-CG 4.47Å; Y577-K693 HydrophobicContact CE1-CB 3.78Å; Y577-K693 HydrophobicContact CE1-CD 3.93Å; Y577-K693 HydrophobicContact CE1-CG 4.1Å; E679-K693 HydrophobicContact CG-CB 3.73Å; E679-K693 HydrophobicContact CG-CG 4.21Å; E679-K693 PolarHBondContact N-O 2.98Å; E679-K693 PolarHBondContact O-N 3.38Å; E679-K693 VanDerWaalsContact OE1-CD 3.25Å; E679-K693 WeakPolarHBondContact OE1-CD 3.38Å; E679-K693 WeakPolarHBondContact OE1-CE 3.47Å; E679-K693 WeakPolarHBondContact OE1-CG 3.36Å; E679-K693 IonicContact OE1-NZ 3.65Å; E679-K693 PolarHBondContact OE1-NZ 3.42Å; A681-K693 HydrophobicContact CB-CB 4.07Å; K693-K695 PolarHBondContact O-N 3.32Å
694V96.8Very high90.6Very high8 Ų867.4 Ų67.45%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-75.8122.4175.2-175.80000107.8Y567 M570 V575 S576 V578 L678Y567-V694 HydrophobicContact CD2-CG1 3.99Å; Y567-V694 HydrophobicContact CE2-CG1 3.7Å; M570-V694 HydrophobicContact SD-CG2 3.92Å; V575-V694 HydrophobicContact CB-CG2 4.43Å; V575-V694 HydrophobicContact CG1-CG2 4Å; S576-V694 PolarHBondContact O-N 2.91Å; V578-V694 HydrophobicContact CG2-CG2 3.93Å; L678-V694 HydrophobicContact CD2-CB 4.31Å; L678-V694 HydrophobicContact CD2-CG2 3.87Å
695K94.6Very high88.9Confident52 Ų5272.2 Ų72.223%0.22638%0.375CS..PPolyproline II helixtrans-72.5156.3-179.7-63.2176.3-175.1155.90110.7Y567 L675 D676 V677 L678 E679 K693Y567-K695 WeakPolarHBondContact CE2-O 3.44Å; Y567-K695 PolarHBondContact OH-O 2.87Å; Y567-K695 VanDerWaalsContact OH-O 3.06Å; L675-K695 PolarHBondContact O-NZ 3.47Å; D676-K695 WeakPolarHBondContact O-CD 3.13Å; D676-K695 PolarHBondContact O-NZ 2.84Å; V677-K695 WeakPolarHBondContact O-CB 3.45Å; V677-K695 PolarHBondContact O-N 3.48Å; L678-K695 WeakPolarHBondContact O-CE 3.44Å; L678-K695 PolarHBondContact O-NZ 3.47Å; E679-K695 HydrophobicContact CB-CG 4.32Å; E679-K695 HydrophobicContact CG-CG 4.34Å; K693-K695 PolarHBondContact O-N 3.32Å
696D92.3Very high88.6Confident111 Ų11168.5 Ų68.559%0.59436%0.359SS*.PPolyproline II helixtrans-71.9165.6173.4-67.7-47.5000112.3Y567 R571 R704Y567-D696 PolarHBondContact OH-O 3Å; R571-D696 IonicContact NH1-OD1 2.68Å; D696-R704 PolarHBondContact O-NH1 3.06Å; D696-R704 PolarHBondContact O-NH2 2.87Å
697L89.1Confident88.4Confident118 Ų11869.6 Ų69.662%0.61837%0.367SS*.PPolyproline II helixtrans-53.5150.2172.1-69.9171.4000111.1Y567 N699Y567-L697 HydrophobicContact CE1-CD2 4.19Å; Y567-L697 PolarHBondContact OH-N 3.09Å; L697-N699 PolarHBondContact O-N 2.83Å
698D88.4Confident88.1Confident48 Ų4870.2 Ų70.226%0.25738%0.375SS..PPolyproline II helixtrans-61132.4175.5-17540.7000110.1R700 G701 L702 R704D698-R700 PolarHBondContact O-N 2.66Å; D698-G701 PolarHBondContact O-N 2.83Å; D698-L702 WeakPolarHBondContact OD2-CB 3.41Å; D698-L702 PolarHBondContact OD2-N 3.15Å; D698-R704 HydrophobicContact CB-CG 4.32Å
699N87.6Confident87.7Confident163 Ų16374.2 Ų74.287%0.87240%0.396SS*.THydrogen-bonded Turntrans-62.2-22.9-172-172.459.3000112.2L697L697-N699 PolarHBondContact O-N 2.83Å
700R87.4Confident87.1Confident212 Ų21278.9 Ų78.980%0.842%0.421SS*.THydrogen-bonded Turntrans-100.3-0178.5-55.8-177.9-155.9179.87113.3D698 L702D698-R700 PolarHBondContact O-N 2.66Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 HydrophobicContact CB-CD1 4.5Å; R700-L702 HydrophobicContact CB-CG 4.27Å
701G82.4Confident86.4Confident70 Ų7084.1 Ų84.172%0.72245%0.449SS*.  trans70.624-176.600000114.5D698D698-G701 PolarHBondContact O-N 2.83Å
702L82.2Confident85.5Confident114 Ų11490.1 Ų90.160%0.59748%0.481SS*.  trans-76152.5172.8-59.8171.1000110.5D698 R700 R704D698-L702 WeakPolarHBondContact OD2-CB 3.41Å; D698-L702 PolarHBondContact OD2-N 3.15Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 HydrophobicContact CB-CD1 4.5Å; R700-L702 HydrophobicContact CB-CG 4.27Å; L702-R704 PolarHBondContact O-N 3.18Å
703S72.7Confident84.6Confident104 Ų10497.1 Ų97.173%0.72752%0.518SS*.  trans-64.1127.3165.956.60000108.6T705S703-T705 VanDerWaalsContact C-N 3.34Å
704R68.3Low83.5Confident84 Ų8499 Ų9932%0.31754%0.535SS..  trans-85.4-7.9-178.2-112.9-169.9-165.3159.811.5114.4D676 D696 D698 L702D676-R704 WeakPolarHBondContact CB-O 3.35Å; D696-R704 PolarHBondContact O-NH1 3.06Å; D696-R704 PolarHBondContact O-NH2 2.87Å; D698-R704 HydrophobicContact CB-CG 4.32Å; L702-R704 PolarHBondContact O-N 3.18Å
705T59.8Low82.2Confident104 Ų104107.3 Ų107.364%0.63858%0.579SS**  trans-109.50-176.451.40000111.5E564 V677 S703E564-T705 HydrophobicContact CB-CG2 4.07Å; E564-T705 HydrophobicContact CG-CG2 4.45Å; V677-T705 HydrophobicContact CG1-CG2 4.33Å; S703-T705 VanDerWaalsContact C-N 3.34Å

Retrieved 705 of 705 residues in 949.8 ms (Link to these results)

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