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MMS19 nucleotide excision repair protein

Key component of the cytosolic iron-sulfur protein assembly (CIA) complex, a multiprotein complex that mediates the incorporation of iron-sulfur cluster into apoproteins specifically involved in DNA metabolism and genomic integrity. In the CIA complex, MMS19 acts as an adapter between early-acting CIA components and a subset of cellular target iron-sulfur proteins.

AlphaFold DB , UniProt , Accession A0A077ZHB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 959 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
1M34.3Very low58Low252 Ų252115.1 Ų115.1100%1.24169%0.686SS**  0113.20-73.2178.5160.100106.8
2A33.3Very low60.7Low103 Ų103111 Ų11185%0.85166%0.659SS**  trans-77.3126.5-169.900000111.6
3S34.6Very low63.1Low118 Ų118104.1 Ų104.183%0.82561%0.614SS**  trans-90.4100.1171.855.40000110G5S3-G5 PolarHBondContact O-N 2.79Å
4T34.7Very low65.1Low133 Ų13398 Ų9882%0.81658%0.579SS**  trans-82.290163.6460000108.4
5G37.8Very low66.7Low66 Ų6696.5 Ų96.568%0.6858%0.575SS**  trans-79.1113.2167.200000109.1S3 N7S3-G5 PolarHBondContact O-N 2.79Å; G5-N7 PolarHBondContact O-N 3.22Å
6H48.7Very low68.2Low182 Ų18293.3 Ų93.384%0.84355%0.553SS**  trans-58.5117.9169.5-101.3-88.5000108.9L8H6-L8 PolarHBondContact O-N 3.34Å; H6-L8 VanDerWaalsContact O-N 3.13Å
7N68.5Low69.4Low155 Ų15588.1 Ų88.183%0.82952%0.522SS*.  trans-66.1109.9168.6-85.1-17.5000108G5 V9G5-N7 PolarHBondContact O-N 3.22Å; N7-V9 PolarHBondContact O-N 3.38Å
8L78.6Confident70.3Confident68 Ų6886.4 Ų86.436%0.35652%0.515SS..  trans-62.4132.9175.9-65.5168.7000109.5H6 D12 Y13 M16H6-L8 PolarHBondContact O-N 3.34Å; H6-L8 VanDerWaalsContact O-N 3.13Å; L8-D12 WeakPolarHBondContact CA-OD2 3.48Å; L8-D12 HydrophobicContact CB-CB 4.09Å; L8-D12 HydrophobicContact CD2-CB 3.75Å; L8-D12 HydrophobicContact CG-CB 4.47Å; L8-Y13 HydrophobicContact CB-CD2 4.21Å; L8-Y13 HydrophobicContact CB-CE2 3.57Å; L8-Y13 HydrophobicContact CD1-CE1 4.01Å; L8-Y13 HydrophobicContact CD1-CE2 4.43Å; L8-M16 HydrophobicContact CD1-SD 4.37Å
9V87.5Confident71.1Confident84 Ų8484.7 Ų84.751%0.50951%0.508SS..  trans-90.4169.5173.9-66.50000110.7N7 D11 D12 Y13N7-V9 PolarHBondContact O-N 3.38Å; V9-D11 HydrophobicContact CG2-CB 4.49Å; V9-D11 PolarHBondContact O-N 3.35Å; V9-D12 WeakPolarHBondContact CG2-OD2 3.3Å; V9-D12 PolarHBondContact N-OD2 2.78Å; V9-D12 WeakPolarHBondContact O-CB 3.42Å; V9-D12 PolarHBondContact O-N 2.96Å; V9-Y13 WeakPolarHBondContact O-CD2 3.16Å; V9-Y13 PolarHBondContact O-N 3.42Å
10A88.8Confident71.8Confident13 Ų1388.1 Ų88.111%0.10752%0.523CS..Hα-helixtrans-52.7-39.8-178.900000112.7D12 Y13 V14 L49 S52 V53A10-D12 VanDerWaalsContact C-N 3.29Å; A10-D12 PolarHBondContact O-N 3.25Å; A10-Y13 PolarHBondContact O-N 2.77Å; A10-V14 VanDerWaalsContact O-CG2 3.24Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 2.76Å; A10-L49 HydrophobicContact CB-CD1 3.89Å; A10-S52 WeakPolarHBondContact CB-OG 3.48Å; A10-V53 HydrophobicContact CB-CG2 4.22Å
11D91.2Very high72.4Confident92 Ų9293.2 Ų93.249%0.49253%0.534SS..Hα-helixtrans-65.8-30.8-179.8-63.9-37.2000112.8V9 S15 K56V9-D11 HydrophobicContact CG2-CB 4.49Å; V9-D11 PolarHBondContact O-N 3.35Å; D11-S15 WeakPolarHBondContact O-CB 3.32Å; D11-S15 PolarHBondContact O-N 2.78Å; D11-K56 WeakPolarHBondContact OD1-CD 3.36Å; D11-K56 IonicContact OD1-NZ 3.03Å; D11-K56 PolarHBondContact OD1-NZ 3.5Å; D11-K56 IonicContact OD2-NZ 3.79Å; D11-K56 PolarHBondContact OD2-NZ 2.65Å
12D90.8Very high74.9Confident66 Ų6681.7 Ų81.735%0.35348%0.477SS..Hα-helixtrans-67.2-44.9174.7-60-41.7000110.5L8 V9 A10 S15 M16L8-D12 WeakPolarHBondContact CA-OD2 3.48Å; L8-D12 HydrophobicContact CB-CB 4.09Å; L8-D12 HydrophobicContact CD2-CB 3.75Å; L8-D12 HydrophobicContact CG-CB 4.47Å; V9-D12 WeakPolarHBondContact CG2-OD2 3.3Å; V9-D12 PolarHBondContact N-OD2 2.78Å; V9-D12 WeakPolarHBondContact O-CB 3.42Å; V9-D12 PolarHBondContact O-N 2.96Å; A10-D12 VanDerWaalsContact C-N 3.29Å; A10-D12 PolarHBondContact O-N 3.25Å; D12-S15 PolarHBondContact O-N 2.95Å; D12-M16 VanDerWaalsContact O-CG 3.27Å; D12-M16 WeakPolarHBondContact O-CG 3.45Å; D12-M16 PolarHBondContact O-N 3.42Å
13Y91.4Very high77.3Confident21 Ų2179.6 Ų79.68%0.08245%0.451CS..Hα-helixtrans-65.5-42.4176.4-72.6-70.5000112L8 V9 A10 S15 M16 I17 M22 F27 Q31 L49L8-Y13 HydrophobicContact CB-CD2 4.21Å; L8-Y13 HydrophobicContact CB-CE2 3.57Å; L8-Y13 HydrophobicContact CD1-CE1 4.01Å; L8-Y13 HydrophobicContact CD1-CE2 4.43Å; V9-Y13 WeakPolarHBondContact O-CD2 3.16Å; V9-Y13 PolarHBondContact O-N 3.42Å; A10-Y13 PolarHBondContact O-N 2.77Å; Y13-S15 VanDerWaalsContact C-N 3.29Å; Y13-S15 PolarHBondContact O-N 2.91Å; Y13-M16 PolarHBondContact O-N 3.05Å; Y13-I17 WeakPolarHBondContact O-CB 3.33Å; Y13-I17 VanDerWaalsContact O-CG1 3.29Å; Y13-I17 WeakPolarHBondContact O-CG1 3.17Å; Y13-I17 PolarHBondContact O-N 3.33Å; Y13-M22 HydrophobicContact CD1-SD 4.01Å; Y13-M22 HydrophobicContact CE1-SD 4.33Å; Y13-F27 AromaticContact CD1-CD2 3.46Å; Y13-F27 HydrophobicContact CD1-CD2 3.46Å; Y13-F27 VanDerWaalsContact CD1-CD2 3.46Å; Y13-F27 AromaticContact CD1-CE2 3.9Å; Y13-F27 HydrophobicContact CD1-CE2 3.9Å; Y13-F27 HydrophobicContact CD2-CD2 4.36Å; Y13-F27 AromaticContact CD2-CE2 3.95Å; Y13-F27 HydrophobicContact CD2-CE2 3.95Å; Y13-F27 AromaticContact CE1-CD2 3.83Å; Y13-F27 HydrophobicContact CE1-CD2 3.83Å; Y13-F27 HydrophobicContact CE1-CE2 4.21Å; Y13-F27 HydrophobicContact CE2-CE2 4.26Å; Y13-F27 AromaticContact CG-CD2 3.76Å; Y13-F27 HydrophobicContact CG-CD2 3.76Å; Y13-F27 AromaticContact CG-CE2 3.76Å; Y13-F27 HydrophobicContact CG-CE2 3.76Å; Y13-Q31 PolarHBondContact OH-NE2 3.15Å; Y13-L49 HydrophobicContact CD2-CD1 4.35Å; Y13-L49 HydrophobicContact CD2-CD2 4.47Å; Y13-L49 HydrophobicContact CE2-CD2 4.09Å
14V90.9Very high79.4Confident19 Ų1974 Ų7412%0.11541%0.412CS..Hα-helixtrans-58.7-43.7175.1172.30000110.2A10 S18 V53 K56 L57A10-V14 VanDerWaalsContact O-CG2 3.24Å; A10-V14 WeakPolarHBondContact O-CG2 3.27Å; A10-V14 PolarHBondContact O-N 2.76Å; V14-S18 WeakPolarHBondContact O-CB 3.28Å; V14-S18 PolarHBondContact O-N 2.73Å; V14-S18 PolarHBondContact O-OG 3.01Å; V14-V53 HydrophobicContact CG2-CG1 4.45Å; V14-K56 HydrophobicContact CG1-CB 4.36Å; V14-K56 HydrophobicContact CG2-CB 3.6Å; V14-K56 HydrophobicContact CG2-CD 4.32Å; V14-L57 HydrophobicContact CG1-CD2 4.23Å; V14-L57 HydrophobicContact CG2-CG 4.45Å
15S89.2Confident81.6Confident75 Ų7571 Ų7152%0.52439%0.391SS..Hα-helixtrans-63.5-44.6175.5-1750000112.3D11 D12 Y13 I17 S18 S19D11-S15 WeakPolarHBondContact O-CB 3.32Å; D11-S15 PolarHBondContact O-N 2.78Å; D12-S15 PolarHBondContact O-N 2.95Å; Y13-S15 VanDerWaalsContact C-N 3.29Å; Y13-S15 PolarHBondContact O-N 2.91Å; S15-I17 PolarHBondContact O-N 3.04Å; S15-S18 PolarHBondContact O-N 2.71Å; S15-S19 VanDerWaalsContact O-CB 3.26Å; S15-S19 WeakPolarHBondContact O-CB 3.28Å; S15-S19 PolarHBondContact O-N 2.73Å; S15-S19 PolarHBondContact O-OG 3.16Å
16M90.3Very high83.9Confident45 Ų4572 Ų7222%0.22238%0.378CS..Hα-helixtrans-62.7-42.1178.6-72.3-179.573.200112.3L8 D12 Y13 S19 N20 R21 M22L8-M16 HydrophobicContact CD1-SD 4.37Å; D12-M16 VanDerWaalsContact O-CG 3.27Å; D12-M16 WeakPolarHBondContact O-CG 3.45Å; D12-M16 PolarHBondContact O-N 3.42Å; Y13-M16 PolarHBondContact O-N 3.05Å; M16-S19 PolarHBondContact O-OG 3.42Å; M16-N20 PolarHBondContact O-N 3.06Å; M16-R21 WeakPolarHBondContact O-CB 3.48Å; M16-R21 PolarHBondContact O-N 2.71Å; M16-M22 HydrophobicContact CB-CB 4.24Å; M16-M22 HydrophobicContact CE-CB 4.47Å; M16-M22 HydrophobicContact CE-CE 3.77Å; M16-M22 PolarHBondContact O-N 3.36Å
17I88.3Confident85.7Confident5 Ų563.3 Ų63.33%0.02634%0.338CS..Hα-helixtrans-72.5-45179.2-63.1165.3000110.6Y13 S15 S19 N20 M22 L24 F27 V53 L57 C61Y13-I17 WeakPolarHBondContact O-CB 3.33Å; Y13-I17 VanDerWaalsContact O-CG1 3.29Å; Y13-I17 WeakPolarHBondContact O-CG1 3.17Å; Y13-I17 PolarHBondContact O-N 3.33Å; S15-I17 PolarHBondContact O-N 3.04Å; I17-S19 PolarHBondContact O-N 3.42Å; I17-N20 PolarHBondContact O-N 3.5Å; I17-M22 VanDerWaalsContact CA-O 3.3Å; I17-M22 WeakPolarHBondContact CA-O 3.43Å; I17-M22 HydrophobicContact CG1-CB 4.35Å; I17-M22 HydrophobicContact CG1-CG 4.32Å; I17-L24 HydrophobicContact CD1-CD1 4.29Å; I17-F27 HydrophobicContact CD1-CB 3.98Å; I17-F27 HydrophobicContact CD1-CG 4.25Å; I17-V53 HydrophobicContact CD1-CG1 3.82Å; I17-L57 HydrophobicContact CB-CD1 4.48Å; I17-L57 HydrophobicContact CB-CD2 3.76Å; I17-L57 HydrophobicContact CD1-CD1 3.89Å; I17-L57 HydrophobicContact CG2-CD1 4Å; I17-L57 HydrophobicContact CG2-CD2 3.57Å; I17-L57 HydrophobicContact CG2-CG 4.46Å; I17-C61 HydrophobicContact CG2-CB 4.36Å
18S87.2Confident86.5Confident58 Ų5857.6 Ų57.641%0.40631%0.308SS..Hα-helixtrans-65-27.4178.6-55.10000112.9V14 S15 N20V14-S18 WeakPolarHBondContact O-CB 3.28Å; V14-S18 PolarHBondContact O-N 2.73Å; V14-S18 PolarHBondContact O-OG 3.01Å; S15-S18 PolarHBondContact O-N 2.71Å; S18-N20 VanDerWaalsContact C-N 3.32Å
19S85.1Confident86.8Confident54 Ų5460.1 Ų60.138%0.37832%0.318SS..THydrogen-bonded Turntrans-90.410.6174.861.10000113.8S15 M16 I17 R21S15-S19 VanDerWaalsContact O-CB 3.26Å; S15-S19 WeakPolarHBondContact O-CB 3.28Å; S15-S19 PolarHBondContact O-N 2.73Å; S15-S19 PolarHBondContact O-OG 3.16Å; M16-S19 PolarHBondContact O-OG 3.42Å; I17-S19 PolarHBondContact O-N 3.42Å; S19-R21 PolarHBondContact O-N 3.07Å; S19-R21 VanDerWaalsContact O-N 3.15Å; S19-R21 WeakPolarHBondContact OG-CG 3.41Å
20N83.8Confident86.7Confident152 Ų15261.9 Ų61.981%0.81332%0.319SS*.THydrogen-bonded Turntrans56.724.8-179.8-111.56.6000114.1M16 I17 S18 M22M16-N20 PolarHBondContact O-N 3.06Å; I17-N20 PolarHBondContact O-N 3.5Å; S18-N20 VanDerWaalsContact C-N 3.32Å; N20-M22 VanDerWaalsContact C-N 3.35Å
21R84.9Confident86.7Confident196 Ų19662.5 Ų62.574%0.7432%0.32SS*.SBendtrans-85.6-11.9174.9-63.1-178.7-172.5-175.63.7112.9M16 S19M16-R21 WeakPolarHBondContact O-CB 3.48Å; M16-R21 PolarHBondContact O-N 2.71Å; S19-R21 PolarHBondContact O-N 3.07Å; S19-R21 VanDerWaalsContact O-N 3.15Å; S19-R21 WeakPolarHBondContact OG-CG 3.41Å
22M86.8Confident86.3Confident10 Ų1064.5 Ų64.55%0.04932%0.324CS..SBendtrans-155.1144.9178.4177177-73.400107.6Y13 M16 I17 N20 E26 F27 K30Y13-M22 HydrophobicContact CD1-SD 4.01Å; Y13-M22 HydrophobicContact CE1-SD 4.33Å; M16-M22 HydrophobicContact CB-CB 4.24Å; M16-M22 HydrophobicContact CE-CB 4.47Å; M16-M22 HydrophobicContact CE-CE 3.77Å; M16-M22 PolarHBondContact O-N 3.36Å; I17-M22 VanDerWaalsContact CA-O 3.3Å; I17-M22 WeakPolarHBondContact CA-O 3.43Å; I17-M22 HydrophobicContact CG1-CB 4.35Å; I17-M22 HydrophobicContact CG1-CG 4.32Å; N20-M22 VanDerWaalsContact C-N 3.35Å; M22-E26 VanDerWaalsContact CA-OE2 3.27Å; M22-E26 WeakPolarHBondContact CA-OE2 3.31Å; M22-E26 HydrophobicContact CG-CB 3.81Å; M22-F27 HydrophobicContact CG-CB 4.42Å; M22-F27 HydrophobicContact SD-CB 3.78Å; M22-K30 HydrophobicContact CE-CD 3.63Å
23N83Confident86Confident59 Ų5965.6 Ų65.632%0.31634%0.337SS..  trans-98169167.664.353.6000111.4L25 E26 F27N23-L25 PolarHBondContact O-N 3.37Å; N23-L25 WeakPolarHBondContact OD1-CA 3.37Å; N23-L25 VanDerWaalsContact OD1-CB 3.32Å; N23-L25 WeakPolarHBondContact OD1-CB 3.38Å; N23-L25 PolarHBondContact OD1-N 3.41Å; N23-L25 VanDerWaalsContact OD1-N 3.09Å; N23-E26 PolarHBondContact N-OE2 3.32Å; N23-E26 PolarHBondContact ND2-OE1 3.01Å; N23-E26 PolarHBondContact O-N 3.07Å; N23-E26 WeakPolarHBondContact OD1-CG 3.06Å; N23-E26 PolarHBondContact OD1-N 3.36Å; N23-F27 PolarHBondContact O-N 2.98Å
24L80.8Confident85.8Confident1 Ų165.6 Ų65.61%0.00534%0.341CS..Hα-helixtrans-63-34.8-177.3-171.775000111.9I17 F27 V28 V53 L57 F62 V70I17-L24 HydrophobicContact CD1-CD1 4.29Å; L24-F27 HydrophobicContact CD1-CD1 4.05Å; L24-F27 WeakPolarHBondContact O-CB 3.43Å; L24-F27 PolarHBondContact O-N 3.44Å; L24-V28 WeakPolarHBondContact O-CG2 3.35Å; L24-V28 PolarHBondContact O-N 3.34Å; L24-V53 HydrophobicContact CD1-CG1 4.47Å; L24-L57 HydrophobicContact CD1-CD1 3.84Å; L24-F62 HydrophobicContact CD1-CE1 4.15Å; L24-F62 HydrophobicContact CD2-CD1 3.51Å; L24-F62 HydrophobicContact CD2-CE1 3.35Å; L24-F62 HydrophobicContact CG-CE1 4.35Å; L24-V70 HydrophobicContact CD2-CG2 3.8Å
25L81Confident85.4Confident70 Ų7065 Ų6537%0.36634%0.338SS..Hα-helixtrans-65-44.8178.5-131.2122.5000111.3N23 F27 V28 E29 E66N23-L25 PolarHBondContact O-N 3.37Å; N23-L25 WeakPolarHBondContact OD1-CA 3.37Å; N23-L25 VanDerWaalsContact OD1-CB 3.32Å; N23-L25 WeakPolarHBondContact OD1-CB 3.38Å; N23-L25 PolarHBondContact OD1-N 3.41Å; N23-L25 VanDerWaalsContact OD1-N 3.09Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 3.43Å; L25-E29 WeakPolarHBondContact O-CB 3.2Å; L25-E29 WeakPolarHBondContact O-CG 3.28Å; L25-E29 PolarHBondContact O-N 3.29Å; L25-E66 HydrophobicContact CD1-CG 3.96Å
26E84.2Confident85.1Confident87 Ų8765.9 Ų65.941%0.40734%0.339SS..Hα-helixtrans-61.6-36.5173.8-74.9172.2-177.900111.9M22 N23 K30M22-E26 VanDerWaalsContact CA-OE2 3.27Å; M22-E26 WeakPolarHBondContact CA-OE2 3.31Å; M22-E26 HydrophobicContact CG-CB 3.81Å; N23-E26 PolarHBondContact N-OE2 3.32Å; N23-E26 PolarHBondContact ND2-OE1 3.01Å; N23-E26 PolarHBondContact O-N 3.07Å; N23-E26 WeakPolarHBondContact OD1-CG 3.06Å; N23-E26 PolarHBondContact OD1-N 3.36Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 PolarHBondContact O-N 3.27Å
27F88.2Confident84.9Confident0 Ų066.7 Ų66.70%035%0.345CS..Hα-helixtrans-63.3-51.2172163-110.2000111.4Y13 I17 M22 N23 L24 L25 E29 K30 Q31 L49 L50 V53Y13-F27 AromaticContact CD1-CD2 3.46Å; Y13-F27 HydrophobicContact CD1-CD2 3.46Å; Y13-F27 VanDerWaalsContact CD1-CD2 3.46Å; Y13-F27 AromaticContact CD1-CE2 3.9Å; Y13-F27 HydrophobicContact CD1-CE2 3.9Å; Y13-F27 HydrophobicContact CD2-CD2 4.36Å; Y13-F27 AromaticContact CD2-CE2 3.95Å; Y13-F27 HydrophobicContact CD2-CE2 3.95Å; Y13-F27 AromaticContact CE1-CD2 3.83Å; Y13-F27 HydrophobicContact CE1-CD2 3.83Å; Y13-F27 HydrophobicContact CE1-CE2 4.21Å; Y13-F27 HydrophobicContact CE2-CE2 4.26Å; Y13-F27 AromaticContact CG-CD2 3.76Å; Y13-F27 HydrophobicContact CG-CD2 3.76Å; Y13-F27 AromaticContact CG-CE2 3.76Å; Y13-F27 HydrophobicContact CG-CE2 3.76Å; I17-F27 HydrophobicContact CD1-CB 3.98Å; I17-F27 HydrophobicContact CD1-CG 4.25Å; M22-F27 HydrophobicContact CG-CB 4.42Å; M22-F27 HydrophobicContact SD-CB 3.78Å; N23-F27 PolarHBondContact O-N 2.98Å; L24-F27 HydrophobicContact CD1-CD1 4.05Å; L24-F27 WeakPolarHBondContact O-CB 3.43Å; L24-F27 PolarHBondContact O-N 3.44Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.9Å; F27-E29 VanDerWaalsContact C-N 3.29Å; F27-E29 PolarHBondContact O-N 3.2Å; F27-K30 PolarHBondContact O-N 3.49Å; F27-Q31 HydrophobicContact CD2-CG 4.04Å; F27-Q31 HydrophobicContact CE2-CG 3.58Å; F27-Q31 HydrophobicContact CZ-CG 3.97Å; F27-Q31 WeakPolarHBondContact O-CG 3.43Å; F27-Q31 PolarHBondContact O-N 2.86Å; F27-L49 HydrophobicContact CE2-CD2 4.32Å; F27-L49 HydrophobicContact CE2-CG 4.34Å; F27-L49 HydrophobicContact CZ-CG 4.18Å; F27-L50 HydrophobicContact CD1-CD1 4.4Å; F27-L50 HydrophobicContact CE1-CD1 3.68Å; F27-V53 HydrophobicContact CD1-CG1 4.11Å; F27-V53 HydrophobicContact CE1-CB 3.87Å; F27-V53 HydrophobicContact CE1-CG1 3.83Å; F27-V53 HydrophobicContact CE1-CG2 4.14Å; F27-V53 HydrophobicContact CE2-CG2 4.01Å; F27-V53 HydrophobicContact CZ-CB 3.87Å; F27-V53 HydrophobicContact CZ-CG1 4.16Å; F27-V53 HydrophobicContact CZ-CG2 3.62Å
28V83.8Confident84.7Confident34 Ų3475.3 Ų75.321%0.20639%0.385CS..Hα-helixtrans-61.3-39.5178.2174.30000110.8L24 L25 Q31 K32 L50 V70L24-V28 WeakPolarHBondContact O-CG2 3.35Å; L24-V28 PolarHBondContact O-N 3.34Å; L25-V28 PolarHBondContact O-N 3.43Å; V28-Q31 CarbonylContact O-C 3.6Å; V28-Q31 PolarHBondContact O-N 3.5Å; V28-K32 PolarHBondContact O-N 2.94Å; V28-L50 HydrophobicContact CG2-CD1 3.94Å; V28-V70 HydrophobicContact CG2-CG2 4.5Å
29E84.7Confident84.6Confident122 Ų12276 Ų7657%0.5738%0.384SS*.Hα-helixtrans-64-42.6174.8-77.9-169.315800112.4L25 F27 Q31 K32L25-E29 WeakPolarHBondContact O-CB 3.2Å; L25-E29 WeakPolarHBondContact O-CG 3.28Å; L25-E29 PolarHBondContact O-N 3.29Å; F27-E29 VanDerWaalsContact C-N 3.29Å; F27-E29 PolarHBondContact O-N 3.2Å; E29-Q31 VanDerWaalsContact C-N 3.27Å; E29-Q31 PolarHBondContact O-N 2.77Å; E29-K32 WeakPolarHBondContact O-CB 3.22Å; E29-K32 PolarHBondContact O-N 3.02Å; E29-K32 VanDerWaalsContact O-N 3.13Å
30K86.7Confident84.7Confident120 Ų12075.9 Ų75.952%0.52238%0.381SS..Hα-helixtrans-61.4-36.5173.1-92.3-170.4178-179.20112.5M22 E26 F27 K32M22-K30 HydrophobicContact CE-CD 3.63Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 PolarHBondContact O-N 3.27Å; F27-K30 PolarHBondContact O-N 3.49Å; K30-K32 VanDerWaalsContact C-N 3.3Å
31Q88Confident85Confident27 Ų2772.5 Ų72.513%0.12636%0.363CS..Hα-helixtrans-82.8-5.1177.8-62-50-42.500113.5Y13 F27 V28 E29 S33 A34 I35 L49Y13-Q31 PolarHBondContact OH-NE2 3.15Å; F27-Q31 HydrophobicContact CD2-CG 4.04Å; F27-Q31 HydrophobicContact CE2-CG 3.58Å; F27-Q31 HydrophobicContact CZ-CG 3.97Å; F27-Q31 WeakPolarHBondContact O-CG 3.43Å; F27-Q31 PolarHBondContact O-N 2.86Å; V28-Q31 CarbonylContact O-C 3.6Å; V28-Q31 PolarHBondContact O-N 3.5Å; E29-Q31 VanDerWaalsContact C-N 3.27Å; E29-Q31 PolarHBondContact O-N 2.77Å; Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 2.7Å; Q31-S33 VanDerWaalsContact O-N 3.16Å; Q31-A34 PolarHBondContact O-N 2.81Å; Q31-I35 HydrophobicContact CB-CD1 3.68Å; Q31-I35 HydrophobicContact CB-CG1 4.03Å; Q31-I35 WeakPolarHBondContact O-CB 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.31Å; Q31-I35 PolarHBondContact O-N 2.94Å; Q31-L49 HydrophobicContact CG-CD2 4.31Å
32K84.1Confident85.1Confident134 Ų13465.7 Ų65.758%0.58334%0.343SS*.Hα-helixtrans-51.2-45-174.2-174.1176-178175.10113V28 E29 K30 A34 I35 T36V28-K32 PolarHBondContact O-N 2.94Å; E29-K32 WeakPolarHBondContact O-CB 3.22Å; E29-K32 PolarHBondContact O-N 3.02Å; E29-K32 VanDerWaalsContact O-N 3.13Å; K30-K32 VanDerWaalsContact C-N 3.3Å; K32-A34 VanDerWaalsContact C-N 3.33Å; K32-A34 PolarHBondContact O-N 2.87Å; K32-I35 PolarHBondContact O-N 2.83Å; K32-T36 PolarHBondContact O-N 3.48Å; K32-T36 PolarHBondContact O-OG1 2.9Å
33S83.9Confident85.2Confident89 Ų8967 Ų6762%0.62235%0.347SS*.Hα-helixtrans-65.4-33.4-179.859.20000113.5Q31 N37Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 2.7Å; Q31-S33 VanDerWaalsContact O-N 3.16Å; S33-N37 PolarHBondContact O-N 2.97Å
34A86.2Confident85.5Confident21 Ų2164.4 Ų64.417%0.17433%0.334CS..Hα-helixtrans-77.5-42.717600000111Q31 K32 T36 N37 V42 A46Q31-A34 PolarHBondContact O-N 2.81Å; K32-A34 VanDerWaalsContact C-N 3.33Å; K32-A34 PolarHBondContact O-N 2.87Å; A34-T36 VanDerWaalsContact C-N 3.34Å; A34-T36 PolarHBondContact O-N 3.42Å; A34-N37 VanDerWaalsContact O-CB 3.25Å; A34-N37 WeakPolarHBondContact O-CB 3.38Å; A34-N37 PolarHBondContact O-N 2.98Å; A34-V42 HydrophobicContact CB-CG1 4.22Å; A34-A46 HydrophobicContact CB-CB 3.74Å
35I83.3Confident86Confident7 Ų767.8 Ų67.84%0.03636%0.358CS..Hα-helixtrans-63-36.7178.2-75.4179.1000112.1Q31 K32 R43 A46 F47 Y73Q31-I35 HydrophobicContact CB-CD1 3.68Å; Q31-I35 HydrophobicContact CB-CG1 4.03Å; Q31-I35 WeakPolarHBondContact O-CB 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.31Å; Q31-I35 PolarHBondContact O-N 2.94Å; K32-I35 PolarHBondContact O-N 2.83Å; I35-R43 VanDerWaalsContact O-CD 3.23Å; I35-R43 WeakPolarHBondContact O-CD 3.38Å; I35-R43 WeakPolarHBondContact O-CG 3.49Å; I35-A46 HydrophobicContact CB-CB 4.45Å; I35-A46 HydrophobicContact CG1-CB 3.67Å; I35-F47 HydrophobicContact CG2-CE1 4.13Å; I35-Y73 HydrophobicContact CG2-CE1 4.01Å; I35-Y73 WeakPolarHBondContact CG2-OH 3.25Å
36T83.1Confident86.5Confident92 Ų9264.7 Ų64.756%0.56434%0.342SS*.THydrogen-bonded Turntrans-100.514.7177.668.20000113.3K32 A34K32-T36 PolarHBondContact O-N 3.48Å; K32-T36 PolarHBondContact O-OG1 2.9Å; A34-T36 VanDerWaalsContact C-N 3.34Å; A34-T36 PolarHBondContact O-N 3.42Å
37N84.9Confident86.8Confident62 Ų6260.6 Ų60.633%0.33232%0.323SS..  trans-62.6150.3180-160.7-68.7000110.6S33 A34 D39 V42 R43S33-N37 PolarHBondContact O-N 2.97Å; A34-N37 VanDerWaalsContact O-CB 3.25Å; A34-N37 WeakPolarHBondContact O-CB 3.38Å; A34-N37 PolarHBondContact O-N 2.98Å; N37-D39 VanDerWaalsContact C-N 3.32Å; N37-D39 PolarHBondContact OD1-N 3.39Å; N37-V42 HydrophobicContact CB-CB 3.91Å; N37-V42 HydrophobicContact CB-CG1 3.68Å; N37-R43 HydrophobicContact CB-CG 4.26Å; N37-R43 WeakPolarHBondContact O-CD 3.4Å; N37-R43 WeakPolarHBondContact O-CG 3.37Å; N37-R43 PolarHBondContact O-NH1 3.29Å
38Q85.6Confident87Confident186 Ų18664.5 Ų64.587%0.86934%0.341SS*.SBendtrans-72.4-27176.4-67.1-170.4-1.400112.6V40 R43Q38-V40 PolarHBondContact O-N 3.39Å; Q38-R43 PolarHBondContact O-NH1 2.86Å
39D85.2Confident87.5Confident73 Ų7364.5 Ų64.539%0.3934%0.34SS..SBendtrans-74.3120.7175.4-171.7-17.8000111.1N37 N41 V42 R43N37-D39 VanDerWaalsContact C-N 3.32Å; N37-D39 PolarHBondContact OD1-N 3.39Å; D39-N41 PolarHBondContact O-N 3.48Å; D39-N41 WeakPolarHBondContact OD1-CB 3.13Å; D39-N41 PolarHBondContact OD1-N 3.06Å; D39-N41 PolarHBondContact OD1-ND2 3.06Å; D39-V42 HydrophobicContact CB-CB 4.2Å; D39-V42 HydrophobicContact CB-CG2 3.85Å; D39-V42 PolarHBondContact O-N 2.7Å; D39-R43 PolarHBondContact O-N 3.44Å
40V87.1Confident87.8Confident52 Ų5258.8 Ų58.832%0.31531%0.314SS..Hα-helixtrans-56.6-34.1177.2179.90000111.4Q38 R43 S44 K84Q38-V40 PolarHBondContact O-N 3.39Å; V40-R43 VanDerWaalsContact CG2-NH2 3.35Å; V40-S44 VanDerWaalsContact O-CB 3.23Å; V40-S44 WeakPolarHBondContact O-CB 3.45Å; V40-S44 PolarHBondContact O-N 3.18Å; V40-K84 HydrophobicContact CG1-CB 4.39Å; V40-K84 HydrophobicContact CG1-CD 4.16Å; V40-K84 HydrophobicContact CG1-CG 4.14Å
41N89.3Confident88.1Confident81 Ų8155 Ų5543%0.43330%0.297SS..Hα-helixtrans-72.2-41.9-179.3-59.8-54.5000111.6D39 R43 S44 S45 K84D39-N41 PolarHBondContact O-N 3.48Å; D39-N41 WeakPolarHBondContact OD1-CB 3.13Å; D39-N41 PolarHBondContact OD1-N 3.06Å; D39-N41 PolarHBondContact OD1-ND2 3.06Å; N41-R43 VanDerWaalsContact C-N 3.35Å; N41-S44 WeakPolarHBondContact O-CB 3.19Å; N41-S44 PolarHBondContact O-N 3.44Å; N41-S45 PolarHBondContact O-N 3.36Å; N41-S45 PolarHBondContact O-OG 2.81Å; N41-K84 PolarHBondContact OD1-NZ 2.8Å
42V87.4Confident88.3Confident53 Ų5355.4 Ų55.432%0.32130%0.303SS..Hα-helixtrans-63.9-43.3175.8-179.90000110.2A34 N37 D39 S45 A46A34-V42 HydrophobicContact CB-CG1 4.22Å; N37-V42 HydrophobicContact CB-CB 3.91Å; N37-V42 HydrophobicContact CB-CG1 3.68Å; D39-V42 HydrophobicContact CB-CB 4.2Å; D39-V42 HydrophobicContact CB-CG2 3.85Å; D39-V42 PolarHBondContact O-N 2.7Å; V42-S45 PolarHBondContact O-N 3.1Å; V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.43Å
43R88.8Confident88.7Confident36 Ų3649 Ų4914%0.13628%0.276CS..Hα-helixtrans-61.4-45.2173.3-66.8-160.7-58.7-81.7-0.2112.1I35 N37 Q38 D39 V40 N41 S45 A46 F47 T82I35-R43 VanDerWaalsContact O-CD 3.23Å; I35-R43 WeakPolarHBondContact O-CD 3.38Å; I35-R43 WeakPolarHBondContact O-CG 3.49Å; N37-R43 HydrophobicContact CB-CG 4.26Å; N37-R43 WeakPolarHBondContact O-CD 3.4Å; N37-R43 WeakPolarHBondContact O-CG 3.37Å; N37-R43 PolarHBondContact O-NH1 3.29Å; Q38-R43 PolarHBondContact O-NH1 2.86Å; D39-R43 PolarHBondContact O-N 3.44Å; V40-R43 VanDerWaalsContact CG2-NH2 3.35Å; N41-R43 VanDerWaalsContact C-N 3.35Å; R43-S45 PolarHBondContact O-N 3.37Å; R43-A46 CarbonylContact O-C 3.55Å; R43-A46 WeakPolarHBondContact O-CB 3.21Å; R43-A46 PolarHBondContact O-N 2.94Å; R43-A46 VanDerWaalsContact O-N 3.14Å; R43-F47 HydrophobicContact CB-CE2 4Å; R43-F47 HydrophobicContact CB-CZ 4Å; R43-F47 WeakPolarHBondContact O-CD1 3.18Å; R43-F47 WeakPolarHBondContact O-CD2 3.38Å; R43-F47 WeakPolarHBondContact O-CG 3.36Å; R43-F47 PolarHBondContact O-N 3.23Å; R43-T82 PolarHBondContact NH2-O 3.03Å
44S89.7Confident89.1Confident6 Ų644.8 Ų44.84%0.04225%0.246CC..Hα-helixtrans-57.3-47.8177.8-171.60000111.3V40 N41 A46 F47 E48 K84V40-S44 VanDerWaalsContact O-CB 3.23Å; V40-S44 WeakPolarHBondContact O-CB 3.45Å; V40-S44 PolarHBondContact O-N 3.18Å; N41-S44 WeakPolarHBondContact O-CB 3.19Å; N41-S44 PolarHBondContact O-N 3.44Å; S44-A46 VanDerWaalsContact C-N 3.3Å; S44-A46 PolarHBondContact O-N 2.97Å; S44-F47 PolarHBondContact O-N 3.46Å; S44-E48 WeakPolarHBondContact O-CG 3.41Å; S44-E48 PolarHBondContact O-N 3.15Å; S44-K84 WeakPolarHBondContact OG-CB 3.35Å; S44-K84 WeakPolarHBondContact OG-CD 3.3Å
45S90.6Very high89.3Confident71 Ų7147.2 Ų47.250%0.49726%0.255SS..Hα-helixtrans-64.8-34.8177.1-62.80000112.3N41 V42 R43 E48 L49N41-S45 PolarHBondContact O-N 3.36Å; N41-S45 PolarHBondContact O-OG 2.81Å; V42-S45 PolarHBondContact O-N 3.1Å; R43-S45 PolarHBondContact O-N 3.37Å; S45-E48 PolarHBondContact O-N 3.36Å; S45-L49 WeakPolarHBondContact O-CB 3.45Å; S45-L49 PolarHBondContact O-N 3.01Å
46A90.7Very high89.7Confident5 Ų551.4 Ų51.44%0.04127%0.273CS..Hα-helixtrans-68-38.2173.800000112.2A34 I35 V42 R43 S44 L49 L50A34-A46 HydrophobicContact CB-CB 3.74Å; I35-A46 HydrophobicContact CB-CB 4.45Å; I35-A46 HydrophobicContact CG1-CB 3.67Å; V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.43Å; R43-A46 CarbonylContact O-C 3.55Å; R43-A46 WeakPolarHBondContact O-CB 3.21Å; R43-A46 PolarHBondContact O-N 2.94Å; R43-A46 VanDerWaalsContact O-N 3.14Å; S44-A46 VanDerWaalsContact C-N 3.3Å; S44-A46 PolarHBondContact O-N 2.97Å; A46-L49 PolarHBondContact O-N 2.94Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.26Å
47F92.1Very high90Very high1 Ų147.2 Ų47.20%0.00425%0.247CC..Hα-helixtrans-68-39174.2-59.1-25.4000112I35 R43 S44 L50 E51 V77 T85 L88I35-F47 HydrophobicContact CG2-CE1 4.13Å; R43-F47 HydrophobicContact CB-CE2 4Å; R43-F47 HydrophobicContact CB-CZ 4Å; R43-F47 WeakPolarHBondContact O-CD1 3.18Å; R43-F47 WeakPolarHBondContact O-CD2 3.38Å; R43-F47 WeakPolarHBondContact O-CG 3.36Å; R43-F47 PolarHBondContact O-N 3.23Å; S44-F47 PolarHBondContact O-N 3.46Å; F47-L50 PolarHBondContact O-N 3.42Å; F47-E51 WeakPolarHBondContact O-CB 3.35Å; F47-E51 PolarHBondContact O-N 2.88Å; F47-V77 HydrophobicContact CE1-CG1 4.46Å; F47-V77 HydrophobicContact CE2-CG1 4.5Å; F47-V77 HydrophobicContact CZ-CG1 3.84Å; F47-T85 HydrophobicContact CE2-CG2 4.29Å; F47-L88 HydrophobicContact CB-CD2 4.27Å; F47-L88 HydrophobicContact CB-CG 4.07Å; F47-L88 HydrophobicContact CD1-CD1 3.94Å; F47-L88 HydrophobicContact CD1-CD2 3.63Å; F47-L88 HydrophobicContact CD1-CG 3.82Å; F47-L88 HydrophobicContact CD2-CD1 3.89Å; F47-L88 HydrophobicContact CD2-CG 3.98Å; F47-L88 HydrophobicContact CE1-CD1 3.82Å; F47-L88 HydrophobicContact CE1-CD2 4.11Å; F47-L88 HydrophobicContact CE1-CG 4.22Å; F47-L88 HydrophobicContact CE2-CD1 3.78Å; F47-L88 HydrophobicContact CE2-CG 4.37Å; F47-L88 HydrophobicContact CG-CD1 3.98Å; F47-L88 HydrophobicContact CG-CD2 3.96Å; F47-L88 HydrophobicContact CG-CG 3.69Å; F47-L88 HydrophobicContact CZ-CD1 3.75Å; F47-L88 HydrophobicContact CZ-CG 4.49Å
48E92.7Very high90Very high82 Ų8247 Ų4738%0.38325%0.25SC..Hα-helixtrans-64.3-40.2173.9-74.6169.1-178.600111.3S44 S45 S52 S87S44-E48 WeakPolarHBondContact O-CG 3.41Å; S44-E48 PolarHBondContact O-N 3.15Å; S45-E48 PolarHBondContact O-N 3.36Å; E48-S52 VanDerWaalsContact O-CB 3.27Å; E48-S52 WeakPolarHBondContact O-CB 3.15Å; E48-S52 PolarHBondContact O-N 3.47Å; E48-S87 WeakPolarHBondContact CG-OG 3.21Å
49L92.6Very high89.7Confident35 Ų3541.4 Ų41.418%0.18323%0.229CC..Hα-helixtrans-65.5-44.2173.6-177.662.7000111.4A10 Y13 F27 Q31 S45 A46 S52 V53A10-L49 HydrophobicContact CB-CD1 3.89Å; Y13-L49 HydrophobicContact CD2-CD1 4.35Å; Y13-L49 HydrophobicContact CD2-CD2 4.47Å; Y13-L49 HydrophobicContact CE2-CD2 4.09Å; F27-L49 HydrophobicContact CE2-CD2 4.32Å; F27-L49 HydrophobicContact CE2-CG 4.34Å; F27-L49 HydrophobicContact CZ-CG 4.18Å; Q31-L49 HydrophobicContact CG-CD2 4.31Å; S45-L49 WeakPolarHBondContact O-CB 3.45Å; S45-L49 PolarHBondContact O-N 3.01Å; A46-L49 PolarHBondContact O-N 2.94Å; L49-S52 PolarHBondContact O-N 3Å; L49-V53 HydrophobicContact CD1-CG2 4.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.35Å; L49-V53 PolarHBondContact O-N 3.39Å
50L91.4Very high89.7Confident2 Ų242.6 Ų42.61%0.0125%0.249CC..Hα-helixtrans-60.1-48.1176.1178.863000111.4F27 V28 A46 F47 V53 I54 L88F27-L50 HydrophobicContact CD1-CD1 4.4Å; F27-L50 HydrophobicContact CE1-CD1 3.68Å; V28-L50 HydrophobicContact CG2-CD1 3.94Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.26Å; F47-L50 PolarHBondContact O-N 3.42Å; L50-V53 PolarHBondContact O-N 2.88Å; L50-I54 HydrophobicContact CD1-CD1 3.65Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.78Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.31Å; L50-L88 HydrophobicContact CD2-CD2 3.93Å
51E92.6Very high89.4Confident39 Ų3942 Ų4218%0.18225%0.247CC..Hα-helixtrans-55.8-50.5173.2175.9-172.1-170.600110.8F47 V53 I54 I55 S87 A90F47-E51 WeakPolarHBondContact O-CB 3.35Å; F47-E51 PolarHBondContact O-N 2.88Å; E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.31Å; E51-I54 PolarHBondContact O-N 2.95Å; E51-I55 HydrophobicContact CG-CD1 3.55Å; E51-I55 HydrophobicContact CG-CG1 4.34Å; E51-I55 WeakPolarHBondContact O-CB 3.44Å; E51-I55 VanDerWaalsContact O-CG1 3.3Å; E51-I55 WeakPolarHBondContact O-CG1 3.44Å; E51-I55 PolarHBondContact O-N 3Å; E51-S87 VanDerWaalsContact OE2-CA 3.24Å; E51-S87 WeakPolarHBondContact OE2-CA 3.44Å; E51-S87 WeakPolarHBondContact OE2-CB 3.3Å; E51-S87 PolarHBondContact OE2-OG 3.49Å; E51-A90 HydrophobicContact CG-CB 3.93Å; E51-A90 WeakPolarHBondContact OE1-CB 3.06Å
52S94.1Very high89Confident36 Ų3639.1 Ų39.125%0.25223%0.231SC..Hα-helixtrans-62.4-40.7-176.9-166.90000112.3A10 E48 L49 K56A10-S52 WeakPolarHBondContact CB-OG 3.48Å; E48-S52 VanDerWaalsContact O-CB 3.27Å; E48-S52 WeakPolarHBondContact O-CB 3.15Å; E48-S52 PolarHBondContact O-N 3.47Å; L49-S52 PolarHBondContact O-N 3Å; S52-K56 VanDerWaalsContact O-CB 3.28Å; S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.41Å; S52-K56 PolarHBondContact O-N 3.37Å
53V92.3Very high88.8Confident0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-67.8-46.8176.1171.70000110.7A10 V14 I17 L24 F27 L49 L50 E51 I55 K56 L57A10-V53 HydrophobicContact CB-CG2 4.22Å; V14-V53 HydrophobicContact CG2-CG1 4.45Å; I17-V53 HydrophobicContact CD1-CG1 3.82Å; L24-V53 HydrophobicContact CD1-CG1 4.47Å; F27-V53 HydrophobicContact CD1-CG1 4.11Å; F27-V53 HydrophobicContact CE1-CB 3.87Å; F27-V53 HydrophobicContact CE1-CG1 3.83Å; F27-V53 HydrophobicContact CE1-CG2 4.14Å; F27-V53 HydrophobicContact CE2-CG2 4.01Å; F27-V53 HydrophobicContact CZ-CB 3.87Å; F27-V53 HydrophobicContact CZ-CG1 4.16Å; F27-V53 HydrophobicContact CZ-CG2 3.62Å; L49-V53 HydrophobicContact CD1-CG2 4.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.35Å; L49-V53 PolarHBondContact O-N 3.39Å; L50-V53 PolarHBondContact O-N 2.88Å; E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.31Å; V53-I55 PolarHBondContact O-N 3.16Å; V53-K56 PolarHBondContact O-N 3.2Å; V53-L57 HydrophobicContact CG1-CD1 3.64Å; V53-L57 HydrophobicContact CG1-CG 4.21Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.1Å; V53-L57 PolarHBondContact O-N 2.77Å
54I90.8Very high88.5Confident0 Ų042.1 Ų42.10%025%0.249CC..Hα-helixtrans-61.2-46.1-179-72.3168.7000111.5L50 E51 K56 L57 F62 V70 A91 Y94 L95L50-I54 HydrophobicContact CD1-CD1 3.65Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.78Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.31Å; E51-I54 PolarHBondContact O-N 2.95Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.32Å; I54-L57 PolarHBondContact O-N 3.44Å; I54-F62 HydrophobicContact CB-CZ 4.48Å; I54-F62 HydrophobicContact CG1-CE1 4.38Å; I54-F62 HydrophobicContact CG1-CZ 4.49Å; I54-F62 HydrophobicContact CG2-CE1 4.49Å; I54-F62 HydrophobicContact CG2-CZ 4.22Å; I54-V70 HydrophobicContact CD1-CG1 3.75Å; I54-A91 HydrophobicContact CD1-CB 3.88Å; I54-Y94 HydrophobicContact CG2-CD1 3.64Å; I54-Y94 HydrophobicContact CG2-CE1 4.25Å; I54-Y94 HydrophobicContact CG2-CG 4.36Å; I54-Y94 VanDerWaalsContact O-CE1 3.32Å; I54-Y94 WeakPolarHBondContact O-CE1 3.41Å; I54-L95 HydrophobicContact CG2-CD2 3.69Å; I54-L95 HydrophobicContact CG2-CG 4.11Å
55I91.9Very high88.4Confident72 Ų7247 Ų4737%0.36927%0.274SS..Hα-helixtrans-68.4-32.1-177.2-67.7176.8000111.9E51 V53 Y94E51-I55 HydrophobicContact CG-CD1 3.55Å; E51-I55 HydrophobicContact CG-CG1 4.34Å; E51-I55 WeakPolarHBondContact O-CB 3.44Å; E51-I55 VanDerWaalsContact O-CG1 3.3Å; E51-I55 WeakPolarHBondContact O-CG1 3.44Å; E51-I55 PolarHBondContact O-N 3Å; V53-I55 PolarHBondContact O-N 3.16Å; I55-Y94 HydrophobicContact CB-CD2 4.21Å; I55-Y94 HydrophobicContact CB-CE2 4.29Å; I55-Y94 HydrophobicContact CG1-CD2 3.79Å; I55-Y94 HydrophobicContact CG1-CE2 4.37Å; I55-Y94 HydrophobicContact CG1-CG 3.96Å; I55-Y94 HydrophobicContact CG2-CD2 4.23Å; I55-Y94 HydrophobicContact CG2-CE2 4.11Å; I55-Y94 PolarHBondContact O-OH 3.44Å
56K91.5Very high88.2Confident96 Ų9645 Ų4542%0.41726%0.257SS..Hα-helixtrans-86.4-17.2-178-74.1179.3172.8-173.80114D11 V14 S52 V53 I54D11-K56 WeakPolarHBondContact OD1-CD 3.36Å; D11-K56 IonicContact OD1-NZ 3.03Å; D11-K56 PolarHBondContact OD1-NZ 3.5Å; D11-K56 IonicContact OD2-NZ 3.79Å; D11-K56 PolarHBondContact OD2-NZ 2.65Å; V14-K56 HydrophobicContact CG1-CB 4.36Å; V14-K56 HydrophobicContact CG2-CB 3.6Å; V14-K56 HydrophobicContact CG2-CD 4.32Å; S52-K56 VanDerWaalsContact O-CB 3.28Å; S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.41Å; S52-K56 PolarHBondContact O-N 3.37Å; V53-K56 PolarHBondContact O-N 3.2Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.32Å
57L88.5Confident88Confident3 Ų344.9 Ų44.92%0.01626%0.255CS..SBendtrans-74.7138180-81.9167.8000111.5V14 I17 L24 V53 I54 C61 F62V14-L57 HydrophobicContact CG1-CD2 4.23Å; V14-L57 HydrophobicContact CG2-CG 4.45Å; I17-L57 HydrophobicContact CB-CD1 4.48Å; I17-L57 HydrophobicContact CB-CD2 3.76Å; I17-L57 HydrophobicContact CD1-CD1 3.89Å; I17-L57 HydrophobicContact CG2-CD1 4Å; I17-L57 HydrophobicContact CG2-CD2 3.57Å; I17-L57 HydrophobicContact CG2-CG 4.46Å; L24-L57 HydrophobicContact CD1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CD1 3.64Å; V53-L57 HydrophobicContact CG1-CG 4.21Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.1Å; V53-L57 PolarHBondContact O-N 2.77Å; I54-L57 PolarHBondContact O-N 3.44Å; L57-C61 HydrophobicContact CD2-CB 4.27Å; L57-F62 HydrophobicContact CB-CE2 3.53Å; L57-F62 HydrophobicContact CB-CZ 3.79Å; L57-F62 HydrophobicContact CD1-CE2 4.26Å; L57-F62 HydrophobicContact CD1-CZ 3.85Å; L57-F62 HydrophobicContact CG-CZ 4.49Å
58P84Confident87.9Confident59 Ų5945.3 Ų45.338%0.38326%0.257SS..  trans-57.7139.5168.9-21.732000110.8A60 C61P58-A60 PolarHBondContact O-N 2.67Å; P58-C61 WeakPolarHBondContact O-CB 3.25Å; P58-C61 PolarHBondContact O-N 3.28Å
59P81.1Confident87.7Confident67 Ų6745.8 Ų45.844%0.43526%0.259SS..G310 helixtrans-54-29.5178-28.835.1000114C61 F62 L99P59-C61 PolarHBondContact O-N 3.16Å; P59-F62 PolarHBondContact O-N 2.96Å; P59-L99 HydrophobicContact CB-CD2 3.89Å
60A83.7Confident87.5Confident99 Ų9944.7 Ų44.782%0.81825%0.254SS*.G310 helixtrans-65.4-14.6176.800000114.5P58 F62P58-A60 PolarHBondContact O-N 2.67Å; A60-F62 VanDerWaalsContact C-N 3.32Å
61C81.7Confident87.4Confident39 Ų3944.6 Ų44.626%0.26425%0.253SS..G310 helixtrans-83.6-5.3178-65.60000113.6I17 L57 P58 P59I17-C61 HydrophobicContact CG2-CB 4.36Å; L57-C61 HydrophobicContact CD2-CB 4.27Å; P58-C61 WeakPolarHBondContact O-CB 3.25Å; P58-C61 PolarHBondContact O-N 3.28Å; P59-C61 PolarHBondContact O-N 3.16Å
62F80.9Confident87.4Confident21 Ų2147.6 Ų47.69%0.09227%0.266CS..  trans-106.3129.3179.9-62.1-99.3000110.3L24 I54 L57 P59 A60 L95 L99L24-F62 HydrophobicContact CD1-CE1 4.15Å; L24-F62 HydrophobicContact CD2-CD1 3.51Å; L24-F62 HydrophobicContact CD2-CE1 3.35Å; L24-F62 HydrophobicContact CG-CE1 4.35Å; I54-F62 HydrophobicContact CB-CZ 4.48Å; I54-F62 HydrophobicContact CG1-CE1 4.38Å; I54-F62 HydrophobicContact CG1-CZ 4.49Å; I54-F62 HydrophobicContact CG2-CE1 4.49Å; I54-F62 HydrophobicContact CG2-CZ 4.22Å; L57-F62 HydrophobicContact CB-CE2 3.53Å; L57-F62 HydrophobicContact CB-CZ 3.79Å; L57-F62 HydrophobicContact CD1-CE2 4.26Å; L57-F62 HydrophobicContact CD1-CZ 3.85Å; L57-F62 HydrophobicContact CG-CZ 4.49Å; P59-F62 PolarHBondContact O-N 2.96Å; A60-F62 VanDerWaalsContact C-N 3.32Å; F62-L95 HydrophobicContact CD1-CD2 4.41Å; F62-L95 HydrophobicContact CE1-CD2 4.07Å; F62-L99 HydrophobicContact CB-CD1 3.85Å; F62-L99 HydrophobicContact CB-CD2 3.85Å; F62-L99 HydrophobicContact CD1-CD1 3.62Å; F62-L99 HydrophobicContact CD2-CD1 3.79Å; F62-L99 HydrophobicContact CD2-CD2 3.85Å; F62-L99 HydrophobicContact CD2-CG 4.45Å; F62-L99 HydrophobicContact CE1-CD1 4.05Å; F62-L99 HydrophobicContact CE2-CD1 4.19Å; F62-L99 HydrophobicContact CG-CD1 3.48Å; F62-L99 VanDerWaalsContact CG-CD1 3.48Å; F62-L99 HydrophobicContact CG-CD2 4Å; F62-L99 HydrophobicContact CG-CG 4.41Å; F62-L99 HydrophobicContact CZ-CD1 4.32Å
63S82.8Confident87.1Confident52 Ų5249.1 Ų49.136%0.36427%0.267SS..  trans-76.2153158.567.90000110.8L65 E66 A67S63-L65 PolarHBondContact O-N 2.77Å; S63-E66 WeakPolarHBondContact CB-OE2 3.31Å; S63-E66 PolarHBondContact N-OE2 3.46Å; S63-E66 PolarHBondContact O-N 2.84Å; S63-E66 VanDerWaalsContact O-N 3.14Å; S63-E66 WeakPolarHBondContact OG-CB 3.16Å; S63-E66 WeakPolarHBondContact OG-CG 3.35Å; S63-E66 PolarHBondContact OG-N 2.94Å; S63-E66 PolarHBondContact OG-OE2 2.7Å; S63-A67 PolarHBondContact O-N 3.09Å
64E83.8Confident86.9Confident100 Ų10049.1 Ų49.147%0.46727%0.267SS..Hα-helixtrans-55.6-41.2176.8-161-176.9-178.800111.2A67 E68 S100E64-A67 PolarHBondContact O-N 3.37Å; E64-E68 WeakPolarHBondContact O-CB 3.41Å; E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.38Å; E64-E68 PolarHBondContact O-N 3.09Å; E64-S100 WeakPolarHBondContact CG-O 3.26Å
65L87.5Confident86.9Confident108 Ų10849.5 Ų49.557%0.56527%0.269SS*.Hα-helixtrans-64.5-43.5177.4-167.882.3000112.3S63 E68 Q69S63-L65 PolarHBondContact O-N 2.77Å; L65-E68 PolarHBondContact O-N 3.46Å; L65-Q69 WeakPolarHBondContact O-CB 3.34Å; L65-Q69 VanDerWaalsContact O-CG 3.32Å; L65-Q69 WeakPolarHBondContact O-CG 3.35Å; L65-Q69 PolarHBondContact O-N 3.45Å
66E85Confident86.7Confident30 Ų3049 Ų4914%0.1427%0.272CS..Hα-helixtrans-64.1-44.8177.5-75.5166.2136.700111L25 S63 E68 Q69 V70L25-E66 HydrophobicContact CD1-CG 3.96Å; S63-E66 WeakPolarHBondContact CB-OE2 3.31Å; S63-E66 PolarHBondContact N-OE2 3.46Å; S63-E66 PolarHBondContact O-N 2.84Å; S63-E66 VanDerWaalsContact O-N 3.14Å; S63-E66 WeakPolarHBondContact OG-CB 3.16Å; S63-E66 WeakPolarHBondContact OG-CG 3.35Å; S63-E66 PolarHBondContact OG-N 2.94Å; S63-E66 PolarHBondContact OG-OE2 2.7Å; E66-E68 PolarHBondContact O-N 3.17Å; E66-Q69 PolarHBondContact O-N 3.22Å; E66-V70 VanDerWaalsContact O-CG2 3.32Å; E66-V70 WeakPolarHBondContact O-CG2 3.43Å; E66-V70 PolarHBondContact O-N 3.1Å
67A87Confident86.4Confident1 Ų145.2 Ų45.21%0.00826%0.257CS..Hα-helixtrans-59.2-46.217700000111.4S63 E64 Q69 V70 A71 L99S63-A67 PolarHBondContact O-N 3.09Å; E64-A67 PolarHBondContact O-N 3.37Å; A67-Q69 PolarHBondContact O-N 3.34Å; A67-V70 PolarHBondContact O-N 2.88Å; A67-A71 VanDerWaalsContact O-CB 3.26Å; A67-A71 WeakPolarHBondContact O-CB 3.31Å; A67-A71 PolarHBondContact O-N 3.16Å; A67-L99 HydrophobicContact CB-CB 4.11Å; A67-L99 HydrophobicContact CB-CD1 3.87Å
68E90.4Very high86.4Confident11 Ų1145.1 Ų45.15%0.05126%0.256CS..Hα-helixtrans-61-43.2176.2-75.7-179.9175.700112.7E64 L65 E66 A71 K72 I101 K102 I105E64-E68 WeakPolarHBondContact O-CB 3.41Å; E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.38Å; E64-E68 PolarHBondContact O-N 3.09Å; L65-E68 PolarHBondContact O-N 3.46Å; E66-E68 PolarHBondContact O-N 3.17Å; E68-A71 PolarHBondContact O-N 2.62Å; E68-K72 WeakPolarHBondContact O-CB 3.49Å; E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.1Å; E68-K72 PolarHBondContact O-N 2.97Å; E68-I101 HydrophobicContact CG-CG2 4.25Å; E68-K102 WeakPolarHBondContact OE1-CB 3.28Å; E68-K102 VanDerWaalsContact OE1-CD 3.25Å; E68-K102 WeakPolarHBondContact OE1-CD 3.44Å; E68-K102 WeakPolarHBondContact OE1-CG 3.41Å; E68-K102 PolarHBondContact OE1-N 3.31Å; E68-I105 VanDerWaalsContact CD-CD1 3.47Å; E68-I105 HydrophobicContact CG-CD1 4.21Å; E68-I105 VanDerWaalsContact OE2-CD1 3.28Å; E68-I105 WeakPolarHBondContact OE2-CD1 3.13Å
69Q88Confident86.5Confident91 Ų9142.9 Ų42.943%0.42524%0.242SC..Hα-helixtrans-67.8-43.1-179.7-75-175.32.700112L65 E66 A67 A71 K72 Y73L65-Q69 WeakPolarHBondContact O-CB 3.34Å; L65-Q69 VanDerWaalsContact O-CG 3.32Å; L65-Q69 WeakPolarHBondContact O-CG 3.35Å; L65-Q69 PolarHBondContact O-N 3.45Å; E66-Q69 PolarHBondContact O-N 3.22Å; A67-Q69 PolarHBondContact O-N 3.34Å; Q69-A71 VanDerWaalsContact C-N 3.35Å; Q69-K72 PolarHBondContact O-N 3.47Å; Q69-Y73 WeakPolarHBondContact O-CB 3.21Å; Q69-Y73 PolarHBondContact O-N 2.63Å
70V87.7Confident86.5Confident12 Ų1245.2 Ų45.27%0.07325%0.251CS..Hα-helixtrans-65.6-40.4176.1179.20000110.5L24 V28 I54 E66 A67 Y73 C74 L95L24-V70 HydrophobicContact CD2-CG2 3.8Å; V28-V70 HydrophobicContact CG2-CG2 4.5Å; I54-V70 HydrophobicContact CD1-CG1 3.75Å; E66-V70 VanDerWaalsContact O-CG2 3.32Å; E66-V70 WeakPolarHBondContact O-CG2 3.43Å; E66-V70 PolarHBondContact O-N 3.1Å; A67-V70 PolarHBondContact O-N 2.88Å; V70-Y73 WeakPolarHBondContact O-CB 3.27Å; V70-Y73 PolarHBondContact O-N 3.12Å; V70-C74 PolarHBondContact O-N 2.98Å; V70-C74 PolarHBondContact O-SG 3.15Å; V70-L95 HydrophobicContact CB-CD1 4.05Å; V70-L95 HydrophobicContact CG1-CD1 3.73Å
71A90.7Very high86.1Confident0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-61.8-45.7174.800000112.3A67 E68 Q69 Y73 C74 V75 L92 L95 I101 M109A67-A71 VanDerWaalsContact O-CB 3.26Å; A67-A71 WeakPolarHBondContact O-CB 3.31Å; A67-A71 PolarHBondContact O-N 3.16Å; E68-A71 PolarHBondContact O-N 2.62Å; Q69-A71 VanDerWaalsContact C-N 3.35Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.15Å; A71-C74 PolarHBondContact O-N 2.99Å; A71-V75 WeakPolarHBondContact O-CG2 3.37Å; A71-V75 PolarHBondContact O-N 3.02Å; A71-L92 HydrophobicContact CB-CD1 3.67Å; A71-L95 HydrophobicContact CB-CD1 4.12Å; A71-I101 HydrophobicContact CB-CD1 3.56Å; A71-M109 HydrophobicContact CB-CE 3.82Å; A71-M109 HydrophobicContact CB-SD 4.24Å
72K91.6Very high85.6Confident102 Ų10244.4 Ų44.444%0.44323%0.23SC..Hα-helixtrans-58.4-42.5175.3-76.4176.2-176.3172.30110.9E68 Q69 S76 I105 M109E68-K72 WeakPolarHBondContact O-CB 3.49Å; E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.1Å; E68-K72 PolarHBondContact O-N 2.97Å; Q69-K72 PolarHBondContact O-N 3.47Å; K72-S76 VanDerWaalsContact O-CB 3.29Å; K72-S76 WeakPolarHBondContact O-CB 3.44Å; K72-S76 PolarHBondContact O-N 3.33Å; K72-S76 PolarHBondContact O-OG 3.1Å; K72-I105 HydrophobicContact CG-CG2 4.35Å; K72-M109 HydrophobicContact CB-CE 4.06Å; K72-M109 HydrophobicContact CG-CE 3.29Å
73Y88.2Confident85.2Confident68 Ų6845 Ų4527%0.26724%0.242SC..Hα-helixtrans-61.4-53.4175.5179.4-100.7000111.6I35 Q69 V70 A71 V75 S76 V77I35-Y73 HydrophobicContact CG2-CE1 4.01Å; I35-Y73 WeakPolarHBondContact CG2-OH 3.25Å; Q69-Y73 WeakPolarHBondContact O-CB 3.21Å; Q69-Y73 PolarHBondContact O-N 2.63Å; V70-Y73 WeakPolarHBondContact O-CB 3.27Å; V70-Y73 PolarHBondContact O-N 3.12Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.15Å; Y73-V75 VanDerWaalsContact C-N 3.32Å; Y73-V75 PolarHBondContact O-N 2.74Å; Y73-S76 PolarHBondContact O-N 2.96Å; Y73-S76 VanDerWaalsContact O-N 3.12Å; Y73-S76 PolarHBondContact O-OG 3.05Å; Y73-V77 HydrophobicContact CD2-CG2 4.14Å; Y73-V77 HydrophobicContact CE1-CG2 3.96Å; Y73-V77 HydrophobicContact CE2-CG2 3.55Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.42Å; Y73-V77 WeakPolarHBondContact O-CG2 3.17Å; Y73-V77 PolarHBondContact O-N 3.41Å; Y73-V77 WeakPolarHBondContact OH-CG2 3.34Å
74C88.7Confident85Confident1 Ų147.7 Ų47.71%0.00725%0.247CC..Hα-helixtrans-53-46.9178.4-71.10000112.2V70 A71 F78 L88 L92V70-C74 PolarHBondContact O-N 2.98Å; V70-C74 PolarHBondContact O-SG 3.15Å; A71-C74 PolarHBondContact O-N 2.99Å; C74-F78 WeakPolarHBondContact O-CB 3.28Å; C74-F78 PolarHBondContact O-N 2.95Å; C74-L88 HydrophobicContact CB-CB 4.47Å; C74-L92 HydrophobicContact CB-CB 4.1Å
75V90.8Very high85Confident8 Ų843 Ų435%0.04823%0.226CC..Hα-helixtrans-65.1-46.1177.6174.10000111.2A71 Y73 V77 F78 A79 L92 M109 L113A71-V75 WeakPolarHBondContact O-CG2 3.37Å; A71-V75 PolarHBondContact O-N 3.02Å; Y73-V75 VanDerWaalsContact C-N 3.32Å; Y73-V75 PolarHBondContact O-N 2.74Å; V75-V77 VanDerWaalsContact C-N 3.28Å; V75-V77 PolarHBondContact O-N 3.26Å; V75-F78 PolarHBondContact O-N 2.94Å; V75-A79 WeakPolarHBondContact O-CB 3.33Å; V75-A79 PolarHBondContact O-N 2.86Å; V75-L92 HydrophobicContact CG2-CD1 3.89Å; V75-L92 HydrophobicContact CG2-CD2 3.34Å; V75-L92 HydrophobicContact CG2-CG 4.26Å; V75-M109 HydrophobicContact CB-CG 4.3Å; V75-M109 HydrophobicContact CG1-CB 4.22Å; V75-M109 HydrophobicContact CG1-CG 4.3Å; V75-M109 HydrophobicContact CG2-CB 3.94Å; V75-M109 HydrophobicContact CG2-CG 3.85Å; V75-M109 HydrophobicContact CG2-SD 3.96Å; V75-L113 HydrophobicContact CG1-CD2 4.18Å; V75-L113 HydrophobicContact CG1-CG 4.25Å
76S87.3Confident85Confident61 Ų6143 Ų4343%0.42722%0.221SC..Hα-helixtrans-59.7-39.9-178.872.80000112.1K72 Y73 L80K72-S76 VanDerWaalsContact O-CB 3.29Å; K72-S76 WeakPolarHBondContact O-CB 3.44Å; K72-S76 PolarHBondContact O-N 3.33Å; K72-S76 PolarHBondContact O-OG 3.1Å; Y73-S76 PolarHBondContact O-N 2.96Å; Y73-S76 VanDerWaalsContact O-N 3.12Å; Y73-S76 PolarHBondContact O-OG 3.05Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å
77V85.7Confident85.3Confident16 Ų1641.7 Ų41.710%0.09722%0.215CC..Hα-helixtrans-78.5-41.9179179.90000111.7F47 Y73 V75 A79 L80 L88F47-V77 HydrophobicContact CE1-CG1 4.46Å; F47-V77 HydrophobicContact CE2-CG1 4.5Å; F47-V77 HydrophobicContact CZ-CG1 3.84Å; Y73-V77 HydrophobicContact CD2-CG2 4.14Å; Y73-V77 HydrophobicContact CE1-CG2 3.96Å; Y73-V77 HydrophobicContact CE2-CG2 3.55Å; Y73-V77 VanDerWaalsContact CZ-CG2 3.42Å; Y73-V77 WeakPolarHBondContact O-CG2 3.17Å; Y73-V77 PolarHBondContact O-N 3.41Å; Y73-V77 WeakPolarHBondContact OH-CG2 3.34Å; V75-V77 VanDerWaalsContact C-N 3.28Å; V75-V77 PolarHBondContact O-N 3.26Å; V77-A79 PolarHBondContact O-N 3.37Å; V77-L80 WeakPolarHBondContact O-CB 3.2Å; V77-L80 PolarHBondContact O-N 2.9Å; V77-L88 HydrophobicContact CB-CD1 3.83Å; V77-L88 HydrophobicContact CG1-CD1 3.53Å
78F88.3Confident85.4Confident2 Ų241.7 Ų41.71%0.00922%0.215CC..Hα-helixtrans-58.9-37.7174.4-175.9-95.3000111.1C74 V75 L80 Q81 T85 L89 L113 I118 E126 I130C74-F78 WeakPolarHBondContact O-CB 3.28Å; C74-F78 PolarHBondContact O-N 2.95Å; V75-F78 PolarHBondContact O-N 2.94Å; F78-L80 PolarHBondContact O-N 3.43Å; F78-Q81 PolarHBondContact O-N 3.3Å; F78-Q81 PolarHBondContact O-NE2 3.33Å; F78-T85 WeakPolarHBondContact CD2-OG1 3.47Å; F78-L89 HydrophobicContact CD2-CB 4.13Å; F78-L89 HydrophobicContact CE2-CB 4.13Å; F78-L89 HydrophobicContact CE2-CD2 4Å; F78-L89 HydrophobicContact CE2-CG 4.49Å; F78-L89 HydrophobicContact CZ-CD2 3.97Å; F78-L113 HydrophobicContact CD1-CD2 3.84Å; F78-L113 HydrophobicContact CE1-CD2 4.36Å; F78-I118 HydrophobicContact CD1-CG2 4.47Å; F78-I118 HydrophobicContact CE1-CG2 3.8Å; F78-I118 HydrophobicContact CZ-CG2 4.49Å; F78-E126 HydrophobicContact CE2-CG 4.31Å; F78-E126 HydrophobicContact CZ-CB 4.23Å; F78-E126 HydrophobicContact CZ-CG 4.48Å; F78-I130 HydrophobicContact CE1-CD1 3.95Å; F78-I130 HydrophobicContact CZ-CD1 4.28Å
79A85.3Confident85.5Confident11 Ų1141.2 Ų41.29%0.09121%0.213CC..THydrogen-bonded Turntrans-67.9-12.1177.600000114.7V75 V77 L113 I118V75-A79 WeakPolarHBondContact O-CB 3.33Å; V75-A79 PolarHBondContact O-N 2.86Å; V77-A79 PolarHBondContact O-N 3.37Å; A79-L113 HydrophobicContact CB-CD2 4.35Å; A79-I118 HydrophobicContact CB-CD1 3.87Å
80L81.5Confident85.7Confident116 Ų11637.2 Ų37.261%0.60720%0.195SC*.THydrogen-bonded Turntrans-87.3-11.1172.2-61.9172.3000112.8S76 V77 F78 T82S76-L80 WeakPolarHBondContact O-CG 3.38Å; V77-L80 WeakPolarHBondContact O-CB 3.2Å; V77-L80 PolarHBondContact O-N 2.9Å; F78-L80 PolarHBondContact O-N 3.43Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 HydrophobicContact CB-CG2 3.77Å; L80-T82 PolarHBondContact O-N 2.97Å
81Q75.8Confident85.8Confident70 Ų7036.6 Ų36.633%0.32719%0.192SC..THydrogen-bonded Turntrans51.539.1177.1-66.4-68.3-5700113.8F78 G83 I118F78-Q81 PolarHBondContact O-N 3.3Å; F78-Q81 PolarHBondContact O-NE2 3.33Å; Q81-G83 PolarHBondContact O-N 3.44Å; Q81-I118 HydrophobicContact CG-CG2 4.15Å
82T70.6Confident85.9Confident51 Ų5136.8 Ų36.831%0.31319%0.193SC..  trans-75.419.5-173.8600000115.3R43 L80R43-T82 PolarHBondContact NH2-O 3.03Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 HydrophobicContact CB-CG2 3.77Å; L80-T82 PolarHBondContact O-N 2.97Å
83G72.1Confident86Confident35 Ų3534.6 Ų34.636%0.36118%0.184SC..SBendtrans75.2148.3-176.100000114.2Q81 T85Q81-G83 PolarHBondContact O-N 3.44Å; G83-T85 VanDerWaalsContact C-N 3.29Å; G83-T85 PolarHBondContact O-N 3.49Å
84K79.3Confident86.1Confident107 Ų10733.2 Ų33.247%0.46518%0.178SC..  trans54.236.1176.9-57.4-170.5178.1-177.90115V40 N41 S44 K86V40-K84 HydrophobicContact CG1-CB 4.39Å; V40-K84 HydrophobicContact CG1-CD 4.16Å; V40-K84 HydrophobicContact CG1-CG 4.14Å; N41-K84 PolarHBondContact OD1-NZ 2.8Å; S44-K84 WeakPolarHBondContact OG-CB 3.35Å; S44-K84 WeakPolarHBondContact OG-CD 3.3Å; K84-K86 VanDerWaalsContact C-N 3.34Å
85T83.5Confident86.2Confident2 Ų233.1 Ų33.11%0.01218%0.178CC..THydrogen-bonded Turntrans-89.25.5-178.148.60000114.2F47 F78 G83 S87 L88 L89F47-T85 HydrophobicContact CE2-CG2 4.29Å; F78-T85 WeakPolarHBondContact CD2-OG1 3.47Å; G83-T85 VanDerWaalsContact C-N 3.29Å; G83-T85 PolarHBondContact O-N 3.49Å; T85-S87 PolarHBondContact O-N 2.99Å; T85-S87 VanDerWaalsContact O-N 3.13Å; T85-L88 HydrophobicContact CG2-CD1 4.26Å; T85-L88 WeakPolarHBondContact O-CB 3.44Å; T85-L88 PolarHBondContact O-N 2.85Å; T85-L89 PolarHBondContact O-N 3.19Å
86K87.9Confident86.3Confident108 Ų10832.8 Ų32.847%0.4718%0.176SC..Hα-helixtrans-51.5-37.517968.8177.7-177.3174.20113.2K84 L89 A90 R129K84-K86 VanDerWaalsContact C-N 3.34Å; K86-L89 PolarHBondContact O-N 3.44Å; K86-A90 PolarHBondContact O-N 2.77Å; K86-R129 PolarHBondContact O-NH1 2.9Å
87S90.1Very high86.4Confident3 Ų332.2 Ų32.22%0.02117%0.17CC..Hα-helixtrans-70.7-33.8-178.3-69.20000112.5E48 E51 T85 A90 A91E48-S87 WeakPolarHBondContact CG-OG 3.21Å; E51-S87 VanDerWaalsContact OE2-CA 3.24Å; E51-S87 WeakPolarHBondContact OE2-CA 3.44Å; E51-S87 WeakPolarHBondContact OE2-CB 3.3Å; E51-S87 PolarHBondContact OE2-OG 3.49Å; T85-S87 PolarHBondContact O-N 2.99Å; T85-S87 VanDerWaalsContact O-N 3.13Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.25Å; S87-A91 PolarHBondContact O-N 2.53Å
88L90.5Very high86.4Confident1 Ų136.4 Ų36.41%0.00519%0.188CC..Hα-helixtrans-66.5-39.1173.2-68.9174.1000111.9F47 L50 C74 V77 T85 A90 A91 L92F47-L88 HydrophobicContact CB-CD2 4.27Å; F47-L88 HydrophobicContact CB-CG 4.07Å; F47-L88 HydrophobicContact CD1-CD1 3.94Å; F47-L88 HydrophobicContact CD1-CD2 3.63Å; F47-L88 HydrophobicContact CD1-CG 3.82Å; F47-L88 HydrophobicContact CD2-CD1 3.89Å; F47-L88 HydrophobicContact CD2-CG 3.98Å; F47-L88 HydrophobicContact CE1-CD1 3.82Å; F47-L88 HydrophobicContact CE1-CD2 4.11Å; F47-L88 HydrophobicContact CE1-CG 4.22Å; F47-L88 HydrophobicContact CE2-CD1 3.78Å; F47-L88 HydrophobicContact CE2-CG 4.37Å; F47-L88 HydrophobicContact CG-CD1 3.98Å; F47-L88 HydrophobicContact CG-CD2 3.96Å; F47-L88 HydrophobicContact CG-CG 3.69Å; F47-L88 HydrophobicContact CZ-CD1 3.75Å; F47-L88 HydrophobicContact CZ-CG 4.49Å; L50-L88 HydrophobicContact CD2-CD2 3.93Å; C74-L88 HydrophobicContact CB-CB 4.47Å; V77-L88 HydrophobicContact CB-CD1 3.83Å; V77-L88 HydrophobicContact CG1-CD1 3.53Å; T85-L88 HydrophobicContact CG2-CD1 4.26Å; T85-L88 WeakPolarHBondContact O-CB 3.44Å; T85-L88 PolarHBondContact O-N 2.85Å; L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A91 PolarHBondContact O-N 3.05Å; L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 PolarHBondContact O-N 2.99Å
89L91.3Very high86.1Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-71.9-31.3177.2-167.668.2000111.8F78 T85 K86 L92 H93 E126 R129 I130 I133F78-L89 HydrophobicContact CD2-CB 4.13Å; F78-L89 HydrophobicContact CE2-CB 4.13Å; F78-L89 HydrophobicContact CE2-CD2 4Å; F78-L89 HydrophobicContact CE2-CG 4.49Å; F78-L89 HydrophobicContact CZ-CD2 3.97Å; T85-L89 PolarHBondContact O-N 3.19Å; K86-L89 PolarHBondContact O-N 3.44Å; L89-L92 HydrophobicContact CD1-CD2 4.14Å; L89-H93 VanDerWaalsContact O-CB 3.31Å; L89-H93 WeakPolarHBondContact O-CB 3.46Å; L89-H93 PolarHBondContact O-N 3.16Å; L89-E126 VanDerWaalsContact CD2-CA 3.5Å; L89-E126 HydrophobicContact CD2-CB 3.67Å; L89-E126 HydrophobicContact CD2-CG 4.04Å; L89-E126 VanDerWaalsContact CD2-O 3.3Å; L89-E126 WeakPolarHBondContact CD2-O 3.48Å; L89-R129 HydrophobicContact CD2-CB 3.72Å; L89-R129 HydrophobicContact CG-CB 3.88Å; L89-I130 HydrophobicContact CD1-CG1 4.06Å; L89-I130 HydrophobicContact CD2-CG1 4.07Å; L89-I133 HydrophobicContact CD1-CD1 4.09Å
90A92Very high85.7Confident7 Ų740.4 Ų40.46%0.05821%0.214CC..Hα-helixtrans-63.7-47.4170.200000111.5E51 K86 S87 L88 H93 Y94E51-A90 HydrophobicContact CG-CB 3.93Å; E51-A90 WeakPolarHBondContact OE1-CB 3.06Å; K86-A90 PolarHBondContact O-N 2.77Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 3.3Å; L88-A90 VanDerWaalsContact C-N 3.33Å; A90-H93 PolarHBondContact O-N 3.43Å; A90-Y94 PolarHBondContact O-N 3.13Å
91A91.1Very high86Confident0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-59.3-48.9174.600000110.9I54 S87 L88 H93 Y94 L95I54-A91 HydrophobicContact CD1-CB 3.88Å; S87-A91 WeakPolarHBondContact O-CB 3.25Å; S87-A91 PolarHBondContact O-N 2.53Å; L88-A91 PolarHBondContact O-N 3.05Å; A91-H93 VanDerWaalsContact C-N 3.35Å; A91-H93 PolarHBondContact O-N 3.33Å; A91-Y94 WeakPolarHBondContact O-CB 3.31Å; A91-Y94 PolarHBondContact O-N 3.46Å; A91-Y94 VanDerWaalsContact O-N 3.14Å; A91-L95 VanDerWaalsContact O-CG 3.27Å; A91-L95 WeakPolarHBondContact O-CG 3.44Å; A91-L95 PolarHBondContact O-N 2.81Å
92L92.7Very high86.8Confident3 Ų337.1 Ų37.12%0.01619%0.194CC..Hα-helixtrans-57.6-47.2177.1179.365.1000111.7A71 C74 V75 L88 L89 Y94 L95 V96 I133A71-L92 HydrophobicContact CB-CD1 3.67Å; C74-L92 HydrophobicContact CB-CB 4.1Å; V75-L92 HydrophobicContact CG2-CD1 3.89Å; V75-L92 HydrophobicContact CG2-CD2 3.34Å; V75-L92 HydrophobicContact CG2-CG 4.26Å; L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 PolarHBondContact O-N 2.99Å; L89-L92 HydrophobicContact CD1-CD2 4.14Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 3.43Å; L92-L95 PolarHBondContact O-N 2.88Å; L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CG-CG2 4.36Å; L92-V96 WeakPolarHBondContact O-CB 3.38Å; L92-V96 VanDerWaalsContact O-CG2 3.29Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.18Å; L92-I133 HydrophobicContact CD2-CD1 3.79Å; L92-I133 HydrophobicContact CG-CD1 3.9Å
93H92.7Very high87.8Confident56 Ų5637.5 Ų37.526%0.25920%0.195SC..Hα-helixtrans-60.7-42.6177.5-175.6-154.1000111L89 A90 A91 V96 T97 I133L89-H93 VanDerWaalsContact O-CB 3.31Å; L89-H93 WeakPolarHBondContact O-CB 3.46Å; L89-H93 PolarHBondContact O-N 3.16Å; A90-H93 PolarHBondContact O-N 3.43Å; A91-H93 VanDerWaalsContact C-N 3.35Å; A91-H93 PolarHBondContact O-N 3.33Å; H93-V96 PolarHBondContact O-N 3.35Å; H93-T97 PolarHBondContact CD2-OG1 3.26Å; H93-T97 VanDerWaalsContact CD2-OG1 3.25Å; H93-T97 PolarHBondContact NE2-OG1 2.93Å; H93-T97 WeakPolarHBondContact O-CB 3.48Å; H93-T97 PolarHBondContact O-N 3.5Å; H93-T97 PolarHBondContact O-OG1 3.05Å; H93-I133 HydrophobicContact CB-CD1 4.19Å; H93-I133 HydrophobicContact CB-CG1 4.2Å
94Y91.7Very high88.9Confident39 Ų3943.2 Ų43.215%0.15321%0.212CC..Hα-helixtrans-61.3-46.5174.9-174.9-84.2000112.4I54 I55 A90 A91 L92 V96 T97 H98I54-Y94 HydrophobicContact CG2-CD1 3.64Å; I54-Y94 HydrophobicContact CG2-CE1 4.25Å; I54-Y94 HydrophobicContact CG2-CG 4.36Å; I54-Y94 VanDerWaalsContact O-CE1 3.32Å; I54-Y94 WeakPolarHBondContact O-CE1 3.41Å; I55-Y94 HydrophobicContact CB-CD2 4.21Å; I55-Y94 HydrophobicContact CB-CE2 4.29Å; I55-Y94 HydrophobicContact CG1-CD2 3.79Å; I55-Y94 HydrophobicContact CG1-CE2 4.37Å; I55-Y94 HydrophobicContact CG1-CG 3.96Å; I55-Y94 HydrophobicContact CG2-CD2 4.23Å; I55-Y94 HydrophobicContact CG2-CE2 4.11Å; I55-Y94 PolarHBondContact O-OH 3.44Å; A90-Y94 PolarHBondContact O-N 3.13Å; A91-Y94 WeakPolarHBondContact O-CB 3.31Å; A91-Y94 PolarHBondContact O-N 3.46Å; A91-Y94 VanDerWaalsContact O-N 3.14Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 3.43Å; Y94-V96 VanDerWaalsContact C-N 3.35Å; Y94-V96 PolarHBondContact O-N 3.4Å; Y94-T97 PolarHBondContact O-N 3.49Å; Y94-H98 HydrophobicContact CD1-CB 4.46Å; Y94-H98 AromaticContact CD2-CD2 3.32Å; Y94-H98 WeakPolarHBondContact CD2-CD2 3.31Å; Y94-H98 AromaticContact CD2-NE2 3.9Å; Y94-H98 HydrophobicContact CE1-CB 4.15Å; Y94-H98 AromaticContact CE2-CD2 3.41Å; Y94-H98 VanDerWaalsContact CE2-CD2 3.41Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.33Å; Y94-H98 AromaticContact CE2-NE2 3.94Å; Y94-H98 AromaticContact CG-CD2 3.74Å; Y94-H98 AromaticContact CZ-CD2 3.88Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-CD2 3.07Å; Y94-H98 PolarHBondContact O-N 3.08Å
95L91.1Very high89.5Confident0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-61-44.4177.7-63.5171.7000110.8I54 F62 V70 A71 A91 L92 L99 I101I54-L95 HydrophobicContact CG2-CD2 3.69Å; I54-L95 HydrophobicContact CG2-CG 4.11Å; F62-L95 HydrophobicContact CD1-CD2 4.41Å; F62-L95 HydrophobicContact CE1-CD2 4.07Å; V70-L95 HydrophobicContact CB-CD1 4.05Å; V70-L95 HydrophobicContact CG1-CD1 3.73Å; A71-L95 HydrophobicContact CB-CD1 4.12Å; A91-L95 VanDerWaalsContact O-CG 3.27Å; A91-L95 WeakPolarHBondContact O-CG 3.44Å; A91-L95 PolarHBondContact O-N 2.81Å; L92-L95 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CD2-CD1 3.38Å; L95-L99 HydrophobicContact CG-CD1 4.5Å; L95-L99 CarbonylContact O-C 3.54Å; L95-L99 WeakPolarHBondContact O-CA 3.33Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.23Å; L95-L99 PolarHBondContact O-N 3.3Å; L95-I101 HydrophobicContact CB-CD1 4.14Å
96V91.8Very high90.1Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-62.8-49.1177.51720000109.9L92 H93 Y94 I101 L106 I133 E136 R140L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CG-CG2 4.36Å; L92-V96 WeakPolarHBondContact O-CB 3.38Å; L92-V96 VanDerWaalsContact O-CG2 3.29Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.18Å; H93-V96 PolarHBondContact O-N 3.35Å; Y94-V96 VanDerWaalsContact C-N 3.35Å; Y94-V96 PolarHBondContact O-N 3.4Å; V96-I101 HydrophobicContact CG2-CD1 3.87Å; V96-L106 HydrophobicContact CG1-CD1 4.35Å; V96-L106 HydrophobicContact CG1-CD2 3.82Å; V96-L106 HydrophobicContact CG2-CD1 3.65Å; V96-L106 HydrophobicContact CG2-CD2 4.46Å; V96-I133 HydrophobicContact CG1-CG2 4.35Å; V96-I133 HydrophobicContact CG2-CG1 4.48Å; V96-I133 HydrophobicContact CG2-CG2 4.22Å; V96-E136 HydrophobicContact CG1-CB 4.05Å; V96-E136 HydrophobicContact CG1-CG 3.8Å; V96-R140 PolarHBondContact O-NH1 3.41Å; V96-R140 PolarHBondContact O-NH2 3.28Å
97T88.6Confident90.4Very high50 Ų5036.6 Ų36.631%0.30718%0.184SC..Hα-helixtrans-72-38.3-174-56.70000113.6H93 Y94H93-T97 PolarHBondContact CD2-OG1 3.26Å; H93-T97 VanDerWaalsContact CD2-OG1 3.25Å; H93-T97 PolarHBondContact NE2-OG1 2.93Å; H93-T97 WeakPolarHBondContact O-CB 3.48Å; H93-T97 PolarHBondContact O-N 3.5Å; H93-T97 PolarHBondContact O-OG1 3.05Å; Y94-T97 PolarHBondContact O-N 3.49Å
98H87.1Confident90.7Very high104 Ų10441.7 Ų41.748%0.48121%0.211SC..Hα-helixtrans-109.1-11.8-170.3-60.9-68000114.9Y94Y94-H98 HydrophobicContact CD1-CB 4.46Å; Y94-H98 AromaticContact CD2-CD2 3.32Å; Y94-H98 WeakPolarHBondContact CD2-CD2 3.31Å; Y94-H98 AromaticContact CD2-NE2 3.9Å; Y94-H98 HydrophobicContact CE1-CB 4.15Å; Y94-H98 AromaticContact CE2-CD2 3.41Å; Y94-H98 VanDerWaalsContact CE2-CD2 3.41Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.33Å; Y94-H98 AromaticContact CE2-NE2 3.94Å; Y94-H98 AromaticContact CG-CD2 3.74Å; Y94-H98 AromaticContact CZ-CD2 3.88Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-CD2 3.07Å; Y94-H98 PolarHBondContact O-N 3.08Å
99L81.6Confident90.9Very high14 Ų1442.2 Ų42.27%0.07321%0.214CC..SBendtrans-123.4158.6179.5-58169.5000111.2P59 F62 A67 L95 I101P59-L99 HydrophobicContact CB-CD2 3.89Å; F62-L99 HydrophobicContact CB-CD1 3.85Å; F62-L99 HydrophobicContact CB-CD2 3.85Å; F62-L99 HydrophobicContact CD1-CD1 3.62Å; F62-L99 HydrophobicContact CD2-CD1 3.79Å; F62-L99 HydrophobicContact CD2-CD2 3.85Å; F62-L99 HydrophobicContact CD2-CG 4.45Å; F62-L99 HydrophobicContact CE1-CD1 4.05Å; F62-L99 HydrophobicContact CE2-CD1 4.19Å; F62-L99 HydrophobicContact CG-CD1 3.48Å; F62-L99 VanDerWaalsContact CG-CD1 3.48Å; F62-L99 HydrophobicContact CG-CD2 4Å; F62-L99 HydrophobicContact CG-CG 4.41Å; F62-L99 HydrophobicContact CZ-CD1 4.32Å; A67-L99 HydrophobicContact CB-CB 4.11Å; A67-L99 HydrophobicContact CB-CD1 3.87Å; L95-L99 HydrophobicContact CD2-CD1 3.38Å; L95-L99 HydrophobicContact CG-CD1 4.5Å; L95-L99 CarbonylContact O-C 3.54Å; L95-L99 WeakPolarHBondContact O-CA 3.33Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.23Å; L95-L99 PolarHBondContact O-N 3.3Å; L99-I101 PolarHBondContact O-N 2.98Å
100S76.8Confident91.1Very high82 Ų8242.5 Ų42.557%0.57322%0.215SC*.  trans-80.4113.6176.5-62.90000109.4E64E64-S100 WeakPolarHBondContact CG-O 3.26Å
101I88.4Confident91.3Very high9 Ų942.7 Ų42.75%0.04622%0.215CC..  trans-117129.1166.8-63.4174.1000106E68 A71 L95 V96 L99 L103 I105 L106E68-I101 HydrophobicContact CG-CG2 4.25Å; A71-I101 HydrophobicContact CB-CD1 3.56Å; L95-I101 HydrophobicContact CB-CD1 4.14Å; V96-I101 HydrophobicContact CG2-CD1 3.87Å; L99-I101 PolarHBondContact O-N 2.98Å; I101-L103 PolarHBondContact O-N 3.34Å; I101-I105 HydrophobicContact CG2-CB 4.5Å; I101-I105 HydrophobicContact CG2-CG2 4.2Å; I101-L106 HydrophobicContact CG2-CB 4.19Å
102K91.7Very high91.4Very high108 Ų10844.7 Ų44.747%0.4723%0.229SC..  trans-56.8137.5177.6-72.2171.6-169.7174.90111.8E68 E104 I105 L106E68-K102 WeakPolarHBondContact OE1-CB 3.28Å; E68-K102 VanDerWaalsContact OE1-CD 3.25Å; E68-K102 WeakPolarHBondContact OE1-CD 3.44Å; E68-K102 WeakPolarHBondContact OE1-CG 3.41Å; E68-K102 PolarHBondContact OE1-N 3.31Å; K102-E104 VanDerWaalsContact C-N 3.32Å; K102-E104 PolarHBondContact O-N 3.03Å; K102-I105 HydrophobicContact CB-CD1 4.24Å; K102-I105 HydrophobicContact CB-CG1 4.45Å; K102-I105 HydrophobicContact CD-CD1 4.46Å; K102-I105 WeakPolarHBondContact O-CB 3.28Å; K102-I105 PolarHBondContact O-N 3.44Å; K102-I105 VanDerWaalsContact O-N 3.12Å; K102-L106 PolarHBondContact O-N 2.81Å
103L92.7Very high91.4Very high60 Ų6044.8 Ų44.831%0.31423%0.229SC..Hα-helixtrans-61.6-36.9-174.4-69.6173.5000113.5I101 I105 L106 K107 Y137 R140I101-L103 PolarHBondContact O-N 3.34Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 3.35Å; L103-L106 PolarHBondContact O-N 3.43Å; L103-K107 VanDerWaalsContact O-CB 3.29Å; L103-K107 WeakPolarHBondContact O-CB 3.35Å; L103-K107 PolarHBondContact O-N 2.86Å; L103-Y137 HydrophobicContact CB-CE2 4.27Å; L103-Y137 HydrophobicContact CD2-CD2 3.94Å; L103-Y137 HydrophobicContact CD2-CE2 4.31Å; L103-R140 HydrophobicContact CD1-CB 4.17Å; L103-R140 WeakPolarHBondContact CD1-O 3.49Å; L103-R140 HydrophobicContact CD2-CB 3.48Å; L103-R140 VanDerWaalsContact CD2-CB 3.48Å; L103-R140 HydrophobicContact CD2-CG 4.42Å; L103-R140 HydrophobicContact CG-CB 4.38Å
104E93.6Very high91.5Very high154 Ų15442.1 Ų42.172%0.7222%0.217SC*.Hα-helixtrans-59.1-45.9175.8-63.4175.4175.700111.3K102 L106 K107 D108K102-E104 VanDerWaalsContact C-N 3.32Å; K102-E104 PolarHBondContact O-N 3.03Å; E104-L106 PolarHBondContact O-N 3.24Å; E104-K107 WeakPolarHBondContact O-CB 3.18Å; E104-K107 PolarHBondContact O-N 3.29Å; E104-D108 PolarHBondContact O-N 2.9Å
105I93.6Very high91.6Very high28 Ų2845.2 Ų45.214%0.14423%0.231CC..Hα-helixtrans-65.6-42178.5-68.7173.5000110.5E68 K72 I101 K102 L103 D108 M109E68-I105 VanDerWaalsContact CD-CD1 3.47Å; E68-I105 HydrophobicContact CG-CD1 4.21Å; E68-I105 VanDerWaalsContact OE2-CD1 3.28Å; E68-I105 WeakPolarHBondContact OE2-CD1 3.13Å; K72-I105 HydrophobicContact CG-CG2 4.35Å; I101-I105 HydrophobicContact CG2-CB 4.5Å; I101-I105 HydrophobicContact CG2-CG2 4.2Å; K102-I105 HydrophobicContact CB-CD1 4.24Å; K102-I105 HydrophobicContact CB-CG1 4.45Å; K102-I105 HydrophobicContact CD-CD1 4.46Å; K102-I105 WeakPolarHBondContact O-CB 3.28Å; K102-I105 PolarHBondContact O-N 3.44Å; K102-I105 VanDerWaalsContact O-N 3.12Å; L103-I105 VanDerWaalsContact C-N 3.33Å; L103-I105 PolarHBondContact O-N 3.35Å; I105-D108 PolarHBondContact O-N 3.28Å; I105-M109 HydrophobicContact CG2-CE 3.32Å; I105-M109 HydrophobicContact CG2-SD 4.3Å; I105-M109 VanDerWaalsContact O-CG 3.25Å; I105-M109 WeakPolarHBondContact O-CG 3.29Å; I105-M109 PolarHBondContact O-N 3.22Å
106L94.5Very high91.5Very high1 Ų152.2 Ų52.21%0.00526%0.258CS..Hα-helixtrans-67.3-39177.9-175.156.3000112.1V96 I101 K102 L103 E104 M109 I110 I133 Y137V96-L106 HydrophobicContact CG1-CD1 4.35Å; V96-L106 HydrophobicContact CG1-CD2 3.82Å; V96-L106 HydrophobicContact CG2-CD1 3.65Å; V96-L106 HydrophobicContact CG2-CD2 4.46Å; I101-L106 HydrophobicContact CG2-CB 4.19Å; K102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 3.43Å; E104-L106 PolarHBondContact O-N 3.24Å; L106-M109 HydrophobicContact CD1-SD 4.35Å; L106-M109 WeakPolarHBondContact O-CB 3.15Å; L106-M109 PolarHBondContact O-N 3.07Å; L106-I110 HydrophobicContact CD1-CD1 4.28Å; L106-I110 HydrophobicContact CD1-CG1 4.48Å; L106-I110 HydrophobicContact CG-CD1 3.98Å; L106-I110 WeakPolarHBondContact O-CG1 3.37Å; L106-I110 PolarHBondContact O-N 2.9Å; L106-I133 HydrophobicContact CD1-CG2 3.96Å; L106-Y137 HydrophobicContact CB-CD2 4.35Å; L106-Y137 HydrophobicContact CD2-CD2 4.29Å; L106-Y137 HydrophobicContact CG-CD2 4.21Å
107K95.8Very high91.3Very high49 Ų4955.9 Ų55.921%0.21327%0.272CS..Hα-helixtrans-57.5-49.7173.5-173.6173.9-168.7141.10110.6L103 E104 M109 I110 L111 Y137 E147 I150L103-K107 VanDerWaalsContact O-CB 3.29Å; L103-K107 WeakPolarHBondContact O-CB 3.35Å; L103-K107 PolarHBondContact O-N 2.86Å; E104-K107 WeakPolarHBondContact O-CB 3.18Å; E104-K107 PolarHBondContact O-N 3.29Å; K107-M109 VanDerWaalsContact C-N 3.32Å; K107-M109 PolarHBondContact O-N 3.27Å; K107-I110 PolarHBondContact O-N 3.48Å; K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.42Å; K107-L111 WeakPolarHBondContact O-CB 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.46Å; K107-L111 PolarHBondContact O-N 3.47Å; K107-Y137 HydrophobicContact CB-CD2 4.42Å; K107-Y137 HydrophobicContact CB-CE2 3.62Å; K107-Y137 VanDerWaalsContact CD-OH 3.26Å; K107-Y137 WeakPolarHBondContact CD-OH 3.27Å; K107-Y137 HydrophobicContact CG-CE2 4.22Å; K107-Y137 PolarHBondContact NZ-OH 3.28Å; K107-E147 IonicContact NZ-OE1 3.56Å; K107-E147 PolarHBondContact NZ-OE1 3.4Å; K107-E147 IonicContact NZ-OE2 3.7Å; K107-E147 PolarHBondContact NZ-OE2 2.84Å; K107-I150 HydrophobicContact CG-CD1 4.05Å
108D95Very high91.1Very high110 Ų11054 Ų5459%0.58826%0.259SS*.Hα-helixtrans-61.4-40.4178.6-73.4-17.7000112.1E104 I105 S112E104-D108 PolarHBondContact O-N 2.9Å; I105-D108 PolarHBondContact O-N 3.28Å; D108-S112 WeakPolarHBondContact O-CB 3.5Å; D108-S112 PolarHBondContact O-N 3.43Å
109M94.2Very high91.1Very high13 Ų1349 Ų496%0.06424%0.236CC..Hα-helixtrans-61.2-47.9174.2-71.8170-172.800111.9A71 K72 V75 I105 L106 K107 S112 L113A71-M109 HydrophobicContact CB-CE 3.82Å; A71-M109 HydrophobicContact CB-SD 4.24Å; K72-M109 HydrophobicContact CB-CE 4.06Å; K72-M109 HydrophobicContact CG-CE 3.29Å; V75-M109 HydrophobicContact CB-CG 4.3Å; V75-M109 HydrophobicContact CG1-CB 4.22Å; V75-M109 HydrophobicContact CG1-CG 4.3Å; V75-M109 HydrophobicContact CG2-CB 3.94Å; V75-M109 HydrophobicContact CG2-CG 3.85Å; V75-M109 HydrophobicContact CG2-SD 3.96Å; I105-M109 HydrophobicContact CG2-CE 3.32Å; I105-M109 HydrophobicContact CG2-SD 4.3Å; I105-M109 VanDerWaalsContact O-CG 3.25Å; I105-M109 WeakPolarHBondContact O-CG 3.29Å; I105-M109 PolarHBondContact O-N 3.22Å; L106-M109 HydrophobicContact CD1-SD 4.35Å; L106-M109 WeakPolarHBondContact O-CB 3.15Å; L106-M109 PolarHBondContact O-N 3.07Å; K107-M109 VanDerWaalsContact C-N 3.32Å; K107-M109 PolarHBondContact O-N 3.27Å; M109-S112 WeakPolarHBondContact O-CB 3.43Å; M109-S112 PolarHBondContact O-N 3.36Å; M109-L113 WeakPolarHBondContact O-CG 3.18Å; M109-L113 PolarHBondContact O-N 3.1Å; M109-L113 VanDerWaalsContact O-N 3.15Å
110I95.9Very high91.4Very high5 Ų552.8 Ų52.83%0.02626%0.255CS..Hα-helixtrans-62-51.3179.2-74164.1000110.5L106 K107 S112 L113 L114 I133 I134 Y137L106-I110 HydrophobicContact CD1-CD1 4.28Å; L106-I110 HydrophobicContact CD1-CG1 4.48Å; L106-I110 HydrophobicContact CG-CD1 3.98Å; L106-I110 WeakPolarHBondContact O-CG1 3.37Å; L106-I110 PolarHBondContact O-N 2.9Å; K107-I110 PolarHBondContact O-N 3.48Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.31Å; I110-L113 PolarHBondContact O-N 3.36Å; I110-L114 HydrophobicContact CG2-CD1 3.68Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CG 3.26Å; I110-L114 PolarHBondContact O-N 2.86Å; I110-I133 HydrophobicContact CD1-CG2 4.21Å; I110-I133 HydrophobicContact CG1-CG2 4.08Å; I110-I134 HydrophobicContact CD1-CG1 4.27Å; I110-I134 HydrophobicContact CG1-CG1 4.18Å; I110-I134 HydrophobicContact CG2-CD1 4.18Å; I110-I134 HydrophobicContact CG2-CG1 3.7Å; I110-Y137 HydrophobicContact CD1-CD1 4.16Å; I110-Y137 HydrophobicContact CD1-CD2 4.26Å; I110-Y137 HydrophobicContact CD1-CG 3.65Å
111L96.3Very high91.8Very high12 Ų1253 Ų536%0.06326%0.257CS..Hα-helixtrans-61-36.7179.1-73175.6000111.5K107 L113 L114 K115 E149 I150K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.42Å; K107-L111 WeakPolarHBondContact O-CB 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.46Å; K107-L111 PolarHBondContact O-N 3.47Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L111-L113 PolarHBondContact O-N 3.12Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-K115 WeakPolarHBondContact O-CB 3.2Å; L111-K115 VanDerWaalsContact O-CG 3.24Å; L111-K115 WeakPolarHBondContact O-CG 2.98Å; L111-K115 PolarHBondContact O-N 3.37Å; L111-E149 HydrophobicContact CD2-CG 4.09Å; L111-I150 HydrophobicContact CD2-CG1 3.79Å; L111-I150 HydrophobicContact CG-CG1 4.24Å
112S93.2Very high91.8Very high42 Ų4252.7 Ų52.729%0.29426%0.256SS..Hα-helixtrans-60.2-42.1173.6178.20000112.3D108 M109 I110 R116D108-S112 WeakPolarHBondContact O-CB 3.5Å; D108-S112 PolarHBondContact O-N 3.43Å; M109-S112 WeakPolarHBondContact O-CB 3.43Å; M109-S112 PolarHBondContact O-N 3.36Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.31Å; S112-R116 WeakPolarHBondContact O-CB 3.47Å; S112-R116 WeakPolarHBondContact O-CD 3.35Å; S112-R116 WeakPolarHBondContact O-CG 3.47Å; S112-R116 PolarHBondContact O-N 2.85Å
113L92.8Very high91.6Very high4 Ų453.7 Ų53.72%0.02127%0.266CS..Hα-helixtrans-70.6-44177.5-65.2177.3000112.3V75 F78 A79 M109 I110 L111 I118V75-L113 HydrophobicContact CG1-CD2 4.18Å; V75-L113 HydrophobicContact CG1-CG 4.25Å; F78-L113 HydrophobicContact CD1-CD2 3.84Å; F78-L113 HydrophobicContact CE1-CD2 4.36Å; A79-L113 HydrophobicContact CB-CD2 4.35Å; M109-L113 WeakPolarHBondContact O-CG 3.18Å; M109-L113 PolarHBondContact O-N 3.1Å; M109-L113 VanDerWaalsContact O-N 3.15Å; I110-L113 PolarHBondContact O-N 3.36Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L111-L113 PolarHBondContact O-N 3.12Å; L113-I118 HydrophobicContact CD2-CD1 4.17Å; L113-I118 PolarHBondContact O-N 3.49Å
114L94.8Very high91.3Very high0 Ų054.6 Ų54.60%027%0.268CS..Hα-helixtrans-67.9-49.5-179.2-68.7176.9000112.1I110 L111 R116 R117 V119 I134 I150 E153 L154 S157I110-L114 HydrophobicContact CG2-CD1 3.68Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CG 3.26Å; I110-L114 PolarHBondContact O-N 2.86Å; L111-L114 PolarHBondContact O-N 3.24Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.4Å; L114-R117 WeakPolarHBondContact O-CA 3.1Å; L114-R117 PolarHBondContact O-N 3.15Å; L114-R117 PolarHBondContact O-NH1 2.91Å; L114-V119 HydrophobicContact CD2-CG2 3.96Å; L114-I134 HydrophobicContact CD1-CD1 4.12Å; L114-I134 HydrophobicContact CD2-CD1 3.95Å; L114-I134 HydrophobicContact CG-CD1 4.29Å; L114-I150 HydrophobicContact CD1-CG2 4.35Å; L114-E153 HydrophobicContact CB-CB 4.07Å; L114-E153 HydrophobicContact CD1-CB 4.36Å; L114-L154 HydrophobicContact CD1-CB 4.43Å; L114-L154 HydrophobicContact CD2-CD1 4.4Å; L114-S157 PolarHBondContact O-OG 2.9Å
115K93.5Very high91.1Very high105 Ų10551 Ų5146%0.45725%0.254SS..Hα-helixtrans-64.5-31.4-178.1-71.1177.8177.1178.10112.8L111 R117 E149 E153L111-K115 WeakPolarHBondContact O-CB 3.2Å; L111-K115 VanDerWaalsContact O-CG 3.24Å; L111-K115 WeakPolarHBondContact O-CG 2.98Å; L111-K115 PolarHBondContact O-N 3.37Å; K115-R117 PolarHBondContact O-N 3.21Å; K115-E149 WeakPolarHBondContact CE-OE1 3.38Å; K115-E149 IonicContact NZ-OE1 3.57Å; K115-E149 PolarHBondContact NZ-OE1 3.02Å; K115-E153 HydrophobicContact CG-CG 4.19Å
116R88.7Confident90.9Very high146 Ų14650.4 Ų50.455%0.55125%0.25SS*.THydrogen-bonded Turntrans-75.8-4.6173.3-71.2178.7-179-142.1-0.4113.6S112 L114 I118S112-R116 WeakPolarHBondContact O-CB 3.47Å; S112-R116 WeakPolarHBondContact O-CD 3.35Å; S112-R116 WeakPolarHBondContact O-CG 3.47Å; S112-R116 PolarHBondContact O-N 2.85Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.4Å; R116-I118 HydrophobicContact CB-CD1 3.61Å; R116-I118 HydrophobicContact CB-CG1 3.78Å; R116-I118 HydrophobicContact CG-CD1 4.34Å; R116-I118 PolarHBondContact O-N 3.38Å; R116-I118 VanDerWaalsContact O-N 3.15Å
117R87.8Confident90.9Very high78 Ų7852.6 Ų52.629%0.29426%0.259SS..THydrogen-bonded Turntrans56.426.2-177.8-58.8-70.2-179.5-103-8.2113.7L114 K115 V119 I120 E153 K156 S157L114-R117 WeakPolarHBondContact O-CA 3.1Å; L114-R117 PolarHBondContact O-N 3.15Å; L114-R117 PolarHBondContact O-NH1 2.91Å; K115-R117 PolarHBondContact O-N 3.21Å; R117-V119 PolarHBondContact O-N 3.04Å; R117-I120 HydrophobicContact CB-CD1 4.25Å; R117-I120 PolarHBondContact O-N 3.22Å; R117-E153 IonicContact CZ-OE2 3.72Å; R117-E153 IonicContact NH1-OE2 2.91Å; R117-E153 PolarHBondContact NH1-OE2 3.08Å; R117-E153 IonicContact NH2-OE1 3.45Å; R117-E153 IonicContact NH2-OE2 3.65Å; R117-E153 PolarHBondContact NH2-OE2 2.95Å; R117-K156 VanDerWaalsContact NH2-CD 3.27Å; R117-S157 PolarHBondContact NH1-OG 2.97Å
118I85.7Confident90.7Very high9 Ų951.4 Ų51.45%0.04626%0.256CS..Hα-helixtrans-64.1-33.8-179.4-69.5159.2000110.6F78 A79 Q81 L113 R116 I120 S121 S122F78-I118 HydrophobicContact CD1-CG2 4.47Å; F78-I118 HydrophobicContact CE1-CG2 3.8Å; F78-I118 HydrophobicContact CZ-CG2 4.49Å; A79-I118 HydrophobicContact CB-CD1 3.87Å; Q81-I118 HydrophobicContact CG-CG2 4.15Å; L113-I118 HydrophobicContact CD2-CD1 4.17Å; L113-I118 PolarHBondContact O-N 3.49Å; R116-I118 HydrophobicContact CB-CD1 3.61Å; R116-I118 HydrophobicContact CB-CG1 3.78Å; R116-I118 HydrophobicContact CG-CD1 4.34Å; R116-I118 PolarHBondContact O-N 3.38Å; R116-I118 VanDerWaalsContact O-N 3.15Å; I118-I120 VanDerWaalsContact C-N 3.34Å; I118-I120 PolarHBondContact O-N 3.48Å; I118-S121 PolarHBondContact O-N 3.48Å; I118-S121 VanDerWaalsContact O-N 3.15Å; I118-S121 PolarHBondContact O-OG 3.5Å; I118-S122 PolarHBondContact O-N 3.37Å; I118-S122 PolarHBondContact O-OG 3.34Å
119V86.8Confident90.7Very high0 Ų048.5 Ų48.50%024%0.237CC..Hα-helixtrans-55.8-46.8-178.2-170.70000111.4L114 R117 S121 S122 R127 I130 Y131L114-V119 HydrophobicContact CD2-CG2 3.96Å; R117-V119 PolarHBondContact O-N 3.04Å; V119-S121 VanDerWaalsContact C-N 3.26Å; V119-S121 PolarHBondContact O-N 3.43Å; V119-S122 WeakPolarHBondContact O-CB 3.42Å; V119-S122 PolarHBondContact O-N 2.9Å; V119-R127 HydrophobicContact CG1-CB 4.31Å; V119-R127 HydrophobicContact CG1-CG 3.99Å; V119-R127 WeakPolarHBondContact O-CD 3.33Å; V119-R127 WeakPolarHBondContact O-CG 3.4Å; V119-I130 HydrophobicContact CG2-CD1 3.98Å; V119-I130 HydrophobicContact CG2-CG2 3.88Å; V119-Y131 HydrophobicContact CG1-CE1 3.88Å
120I86.7Confident90.7Very high93 Ų9348.1 Ų48.148%0.47724%0.235SC..Hα-helixtrans-56.9-41.7-179.7-56.8175.3000111.2R117 I118 S157R117-I120 HydrophobicContact CB-CD1 4.25Å; R117-I120 PolarHBondContact O-N 3.22Å; I118-I120 VanDerWaalsContact C-N 3.34Å; I118-I120 PolarHBondContact O-N 3.48Å; I120-S157 VanDerWaalsContact CG1-O 3.29Å; I120-S157 WeakPolarHBondContact CG1-O 3.36Å
121S86.4Confident90.7Very high86 Ų8647.9 Ų47.960%0.60123%0.234SC*.Hα-helixtrans-83.3-11.2179.958.80000114.8I118 V119I118-S121 PolarHBondContact O-N 3.48Å; I118-S121 VanDerWaalsContact O-N 3.15Å; I118-S121 PolarHBondContact O-OG 3.5Å; V119-S121 VanDerWaalsContact C-N 3.26Å; V119-S121 PolarHBondContact O-N 3.43Å
122S87Confident90.7Very high4 Ų448.2 Ų48.23%0.02824%0.238CC..SBendtrans-76.5153.6-174.6-60.40000111.6I118 V119 R127I118-S122 PolarHBondContact O-N 3.37Å; I118-S122 PolarHBondContact O-OG 3.34Å; V119-S122 WeakPolarHBondContact O-CB 3.42Å; V119-S122 PolarHBondContact O-N 2.9Å; S122-R127 PolarHBondContact O-NH1 3.33Å
123L87.9Confident90.8Very high129 Ų12946.4 Ų46.468%0.67523%0.225SC*.  trans-66.1156.7175.3-63.3175.2000110.8L125 E126 R127L123-L125 VanDerWaalsContact C-N 3.3Å; L123-L125 PolarHBondContact O-N 2.78Å; L123-L125 VanDerWaalsContact O-N 3.17Å; L123-E126 HydrophobicContact CB-CG 4.38Å; L123-E126 PolarHBondContact N-OE2 3.45Å; L123-E126 CarbonylContact O-C 3.42Å; L123-E126 WeakPolarHBondContact O-CA 3.18Å; L123-E126 WeakPolarHBondContact O-CB 3.43Å; L123-E126 PolarHBondContact O-N 3.33Å; L123-R127 PolarHBondContact O-N 3.23Å
124Q87.5Confident91Very high78 Ų7846.2 Ų46.236%0.36422%0.224SC..Hα-helixtrans-50.6-44.1-175.9-170-178.31000114.1E126 R127 S128 D163Q124-E126 VanDerWaalsContact C-N 3.29Å; Q124-E126 PolarHBondContact O-N 3Å; Q124-R127 PolarHBondContact O-N 3.46Å; Q124-S128 PolarHBondContact O-N 3.16Å; Q124-S128 VanDerWaalsContact O-N 3.07Å; Q124-D163 HydrophobicContact CG-CB 3.96Å; Q124-D163 VanDerWaalsContact CG-CG 3.48Å; Q124-D163 WeakPolarHBondContact CG-OD1 3.41Å; Q124-D163 PolarHBondContact NE2-OD1 3.21Å; Q124-D163 PolarHBondContact NE2-OD2 2.93Å
125L87.9Confident91.1Very high80 Ų8047.2 Ų47.242%0.41923%0.229SC..Hα-helixtrans-72.8-22177.9-169.1125.5000113.1L123 S128 R129L123-L125 VanDerWaalsContact C-N 3.3Å; L123-L125 PolarHBondContact O-N 2.78Å; L123-L125 VanDerWaalsContact O-N 3.17Å; L125-S128 PolarHBondContact O-OG 2.96Å; L125-R129 VanDerWaalsContact CD2-CZ 3.44Å; L125-R129 WeakPolarHBondContact O-CG 3.48Å; L125-R129 PolarHBondContact O-N 3.1Å
126E91.2Very high91.2Very high15 Ų1544.6 Ų44.67%0.0722%0.219CC..Hα-helixtrans-79.2-44.7173.1-64.2172.3146.700110.3F78 L89 L123 Q124 S128 R129 I130F78-E126 HydrophobicContact CE2-CG 4.31Å; F78-E126 HydrophobicContact CZ-CB 4.23Å; F78-E126 HydrophobicContact CZ-CG 4.48Å; L89-E126 VanDerWaalsContact CD2-CA 3.5Å; L89-E126 HydrophobicContact CD2-CB 3.67Å; L89-E126 HydrophobicContact CD2-CG 4.04Å; L89-E126 VanDerWaalsContact CD2-O 3.3Å; L89-E126 WeakPolarHBondContact CD2-O 3.48Å; L123-E126 HydrophobicContact CB-CG 4.38Å; L123-E126 PolarHBondContact N-OE2 3.45Å; L123-E126 CarbonylContact O-C 3.42Å; L123-E126 WeakPolarHBondContact O-CA 3.18Å; L123-E126 WeakPolarHBondContact O-CB 3.43Å; L123-E126 PolarHBondContact O-N 3.33Å; Q124-E126 VanDerWaalsContact C-N 3.29Å; Q124-E126 PolarHBondContact O-N 3Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 2.98Å; E126-R129 PolarHBondContact O-N 2.95Å; E126-R129 VanDerWaalsContact O-N 3.17Å; E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.02Å
127R93.4Very high91.5Very high47 Ų4737.9 Ų37.918%0.17719%0.193CC..Hα-helixtrans-56.6-47.2174.5-62.7-162.5-53.4-92.510111.9V119 S122 L123 Q124 R129 I130 Y131 E161V119-R127 HydrophobicContact CG1-CB 4.31Å; V119-R127 HydrophobicContact CG1-CG 3.99Å; V119-R127 WeakPolarHBondContact O-CD 3.33Å; V119-R127 WeakPolarHBondContact O-CG 3.4Å; S122-R127 PolarHBondContact O-NH1 3.33Å; L123-R127 PolarHBondContact O-N 3.23Å; Q124-R127 PolarHBondContact O-N 3.46Å; R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 3.45Å; R127-I130 PolarHBondContact O-N 3.02Å; R127-I130 VanDerWaalsContact O-N 3.1Å; R127-Y131 HydrophobicContact CB-CE2 4.01Å; R127-Y131 VanDerWaalsContact O-CD2 3.25Å; R127-Y131 WeakPolarHBondContact O-CD2 3.31Å; R127-Y131 PolarHBondContact O-N 2.97Å; R127-E161 IonicContact CZ-OE1 3.44Å; R127-E161 IonicContact CZ-OE2 3.43Å; R127-E161 IonicContact NE-OE1 3.44Å; R127-E161 IonicContact NE-OE2 2.69Å; R127-E161 PolarHBondContact NE-OE2 3.4Å; R127-E161 IonicContact NH2-OE1 2.72Å; R127-E161 PolarHBondContact NH2-OE1 2.97Å; R127-E161 IonicContact NH2-OE2 3.05Å
128S92.8Very high92Very high23 Ų2334.2 Ų34.216%0.16118%0.179CC..Hα-helixtrans-60.1-37.8178.370.70000113Q124 L125 E126 A132 L169Q124-S128 PolarHBondContact O-N 3.16Å; Q124-S128 VanDerWaalsContact O-N 3.07Å; L125-S128 PolarHBondContact O-OG 2.96Å; E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 2.98Å; S128-A132 WeakPolarHBondContact O-CB 3.34Å; S128-A132 PolarHBondContact O-N 3.49Å; S128-L169 WeakPolarHBondContact O-CD1 3.46Å
129R93.3Very high92.4Very high50 Ų5037.4 Ų37.419%0.18920%0.197CC..Hα-helixtrans-69.1-37.8175-74.7173.4176.3172-8.2112.4K86 L89 L125 E126 R127 A132 I133K86-R129 PolarHBondContact O-NH1 2.9Å; L89-R129 HydrophobicContact CD2-CB 3.72Å; L89-R129 HydrophobicContact CG-CB 3.88Å; L125-R129 VanDerWaalsContact CD2-CZ 3.44Å; L125-R129 WeakPolarHBondContact O-CG 3.48Å; L125-R129 PolarHBondContact O-N 3.1Å; E126-R129 PolarHBondContact O-N 2.95Å; E126-R129 VanDerWaalsContact O-N 3.17Å; R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 3.45Å; R129-A132 PolarHBondContact O-N 3.3Å; R129-I133 WeakPolarHBondContact O-CD1 3.25Å; R129-I133 VanDerWaalsContact O-CG1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.41Å; R129-I133 PolarHBondContact O-N 2.63Å
130I94.9Very high92.7Very high4 Ų441.2 Ų41.22%0.02121%0.211CC..Hα-helixtrans-63.7-46.8175.2-64.2167.8000109.9F78 L89 V119 E126 R127 A132 I133 I134F78-I130 HydrophobicContact CE1-CD1 3.95Å; F78-I130 HydrophobicContact CZ-CD1 4.28Å; L89-I130 HydrophobicContact CD1-CG1 4.06Å; L89-I130 HydrophobicContact CD2-CG1 4.07Å; V119-I130 HydrophobicContact CG2-CD1 3.98Å; V119-I130 HydrophobicContact CG2-CG2 3.88Å; E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.02Å; R127-I130 PolarHBondContact O-N 3.02Å; R127-I130 VanDerWaalsContact O-N 3.1Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.06Å; I130-I133 WeakPolarHBondContact O-CB 3.39Å; I130-I133 PolarHBondContact O-N 2.94Å; I130-I134 HydrophobicContact CG2-CD1 4.01Å; I130-I134 WeakPolarHBondContact O-CG1 3.5Å; I130-I134 PolarHBondContact O-N 2.93Å
131Y96.8Very high93.1Very high1 Ų137.1 Ų37.10%0.00419%0.191CC..Hα-helixtrans-61.9-38.5175.7-59.9-40000112.1V119 R127 I133 I134 L135 L154 A158 C166 L170V119-Y131 HydrophobicContact CG1-CE1 3.88Å; R127-Y131 HydrophobicContact CB-CE2 4.01Å; R127-Y131 VanDerWaalsContact O-CD2 3.25Å; R127-Y131 WeakPolarHBondContact O-CD2 3.31Å; R127-Y131 PolarHBondContact O-N 2.97Å; Y131-I133 PolarHBondContact O-N 3.42Å; Y131-I134 HydrophobicContact CD1-CD1 4.39Å; Y131-I134 PolarHBondContact O-N 2.82Å; Y131-L135 WeakPolarHBondContact O-CB 3.38Å; Y131-L135 PolarHBondContact O-N 3.17Å; Y131-L154 HydrophobicContact CD1-CD1 3.91Å; Y131-L154 HydrophobicContact CE1-CD1 3.74Å; Y131-A158 HydrophobicContact CE1-CB 4.44Å; Y131-C166 HydrophobicContact CD2-CB 3.9Å; Y131-C166 HydrophobicContact CE2-CB 3.74Å; Y131-L170 HydrophobicContact CD1-CD2 3.97Å; Y131-L170 HydrophobicContact CD2-CG 4.32Å; Y131-L170 HydrophobicContact CE1-CD2 3.83Å; Y131-L170 HydrophobicContact CE2-CD1 4.22Å; Y131-L170 HydrophobicContact CE2-CD2 4.42Å; Y131-L170 HydrophobicContact CE2-CG 4.24Å; Y131-L170 HydrophobicContact CG-CD2 4.34Å
132A95.8Very high93.3Very high18 Ų1840.7 Ų40.715%0.14920%0.198CC..Hα-helixtrans-62.3-41.2174.200000112.5S128 R129 I130 L135 E136 L169S128-A132 WeakPolarHBondContact O-CB 3.34Å; S128-A132 PolarHBondContact O-N 3.49Å; R129-A132 PolarHBondContact O-N 3.3Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.06Å; A132-L135 PolarHBondContact O-N 3.21Å; A132-E136 WeakPolarHBondContact O-CB 3.31Å; A132-E136 PolarHBondContact O-N 3.23Å; A132-L169 HydrophobicContact CB-CD1 4.41Å
133I95.6Very high93.6Very high4 Ų447.4 Ų47.42%0.02123%0.231CC..Hα-helixtrans-62.9-41.4174.4-70162.3000111.3L89 L92 H93 V96 L106 I110 R129 I130 Y131 E136 Y137L89-I133 HydrophobicContact CD1-CD1 4.09Å; L92-I133 HydrophobicContact CD2-CD1 3.79Å; L92-I133 HydrophobicContact CG-CD1 3.9Å; H93-I133 HydrophobicContact CB-CD1 4.19Å; H93-I133 HydrophobicContact CB-CG1 4.2Å; V96-I133 HydrophobicContact CG1-CG2 4.35Å; V96-I133 HydrophobicContact CG2-CG1 4.48Å; V96-I133 HydrophobicContact CG2-CG2 4.22Å; L106-I133 HydrophobicContact CD1-CG2 3.96Å; I110-I133 HydrophobicContact CD1-CG2 4.21Å; I110-I133 HydrophobicContact CG1-CG2 4.08Å; R129-I133 WeakPolarHBondContact O-CD1 3.25Å; R129-I133 VanDerWaalsContact O-CG1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.41Å; R129-I133 PolarHBondContact O-N 2.63Å; I130-I133 WeakPolarHBondContact O-CB 3.39Å; I130-I133 PolarHBondContact O-N 2.94Å; Y131-I133 PolarHBondContact O-N 3.42Å; I133-E136 PolarHBondContact O-N 3.36Å; I133-Y137 PolarHBondContact O-N 3.18Å
134I96.9Very high93.8Very high0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-64.1-46.2176.9-66.8169.8000110.8I110 L114 I130 Y131 E136 Y137 L138 I150 L154 I173I110-I134 HydrophobicContact CD1-CG1 4.27Å; I110-I134 HydrophobicContact CG1-CG1 4.18Å; I110-I134 HydrophobicContact CG2-CD1 4.18Å; I110-I134 HydrophobicContact CG2-CG1 3.7Å; L114-I134 HydrophobicContact CD1-CD1 4.12Å; L114-I134 HydrophobicContact CD2-CD1 3.95Å; L114-I134 HydrophobicContact CG-CD1 4.29Å; I130-I134 HydrophobicContact CG2-CD1 4.01Å; I130-I134 WeakPolarHBondContact O-CG1 3.5Å; I130-I134 PolarHBondContact O-N 2.93Å; Y131-I134 HydrophobicContact CD1-CD1 4.39Å; Y131-I134 PolarHBondContact O-N 2.82Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.08Å; I134-Y137 WeakPolarHBondContact O-CB 3.41Å; I134-Y137 PolarHBondContact O-N 3Å; I134-L138 HydrophobicContact CG2-CD1 3.97Å; I134-L138 HydrophobicContact CG2-CG 4.35Å; I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.02Å; I134-I150 HydrophobicContact CG2-CG2 4.38Å; I134-L154 HydrophobicContact CD1-CD1 4.03Å; I134-I173 HydrophobicContact CB-CD1 4.27Å; I134-I173 HydrophobicContact CG2-CD1 4.09Å; I134-I173 HydrophobicContact CG2-CG1 4.49Å
135L96.7Very high94.1Very high21 Ų2140.9 Ų40.911%0.1121%0.21CC..Hα-helixtrans-59.5-42.8177-178.358.1000111.2Y131 A132 Y137 L138 N139 L169 K172 I173 V176Y131-L135 WeakPolarHBondContact O-CB 3.38Å; Y131-L135 PolarHBondContact O-N 3.17Å; A132-L135 PolarHBondContact O-N 3.21Å; L135-Y137 PolarHBondContact O-N 3.23Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-N139 WeakPolarHBondContact O-CB 3.47Å; L135-N139 PolarHBondContact O-N 2.9Å; L135-N139 PolarHBondContact O-ND2 2.69Å; L135-L169 HydrophobicContact CD2-CD2 4.13Å; L135-K172 HydrophobicContact CD1-CB 4.26Å; L135-K172 HydrophobicContact CD2-CB 3.99Å; L135-K172 HydrophobicContact CD2-CD 4.21Å; L135-I173 HydrophobicContact CB-CD1 4.44Å; L135-I173 HydrophobicContact CB-CG1 3.88Å; L135-I173 HydrophobicContact CD1-CG1 4.06Å; L135-I173 HydrophobicContact CG-CG1 4.48Å; L135-V176 HydrophobicContact CD1-CG2 4.03Å
136E94.4Very high94.4Very high50 Ų5042 Ų4223%0.23422%0.217CC..Hα-helixtrans-63.3-40.6177-169.857.2-15200112V96 A132 I133 I134 R140V96-E136 HydrophobicContact CG1-CB 4.05Å; V96-E136 HydrophobicContact CG1-CG 3.8Å; A132-E136 WeakPolarHBondContact O-CB 3.31Å; A132-E136 PolarHBondContact O-N 3.23Å; I133-E136 PolarHBondContact O-N 3.36Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.08Å; E136-R140 VanDerWaalsContact O-CG 3.27Å; E136-R140 WeakPolarHBondContact O-CG 3.47Å; E136-R140 PolarHBondContact O-N 3.36Å; E136-R140 IonicContact OE1-CZ 3.97Å; E136-R140 IonicContact OE1-NE 2.63Å; E136-R140 PolarHBondContact OE1-NE 2.79Å; E136-R140 IonicContact OE1-NH2 2.96Å; E136-R140 PolarHBondContact OE1-NH2 3.32Å
137Y96.4Very high94.6Very high6 Ų641.7 Ų41.72%0.02422%0.215CC..Hα-helixtrans-61.1-48.4172.3165.5-91.4000112.4L103 L106 K107 I110 I133 I134 L135 N139 R140 S141 E147 I150L103-Y137 HydrophobicContact CB-CE2 4.27Å; L103-Y137 HydrophobicContact CD2-CD2 3.94Å; L103-Y137 HydrophobicContact CD2-CE2 4.31Å; L106-Y137 HydrophobicContact CB-CD2 4.35Å; L106-Y137 HydrophobicContact CD2-CD2 4.29Å; L106-Y137 HydrophobicContact CG-CD2 4.21Å; K107-Y137 HydrophobicContact CB-CD2 4.42Å; K107-Y137 HydrophobicContact CB-CE2 3.62Å; K107-Y137 VanDerWaalsContact CD-OH 3.26Å; K107-Y137 WeakPolarHBondContact CD-OH 3.27Å; K107-Y137 HydrophobicContact CG-CE2 4.22Å; K107-Y137 PolarHBondContact NZ-OH 3.28Å; I110-Y137 HydrophobicContact CD1-CD1 4.16Å; I110-Y137 HydrophobicContact CD1-CD2 4.26Å; I110-Y137 HydrophobicContact CD1-CG 3.65Å; I133-Y137 PolarHBondContact O-N 3.18Å; I134-Y137 WeakPolarHBondContact O-CB 3.41Å; I134-Y137 PolarHBondContact O-N 3Å; L135-Y137 PolarHBondContact O-N 3.23Å; Y137-N139 VanDerWaalsContact C-N 3.32Å; Y137-N139 PolarHBondContact O-N 2.86Å; Y137-R140 PolarHBondContact O-N 2.63Å; Y137-S141 WeakPolarHBondContact CE1-OG 3.2Å; Y137-S141 WeakPolarHBondContact CE2-OG 3.25Å; Y137-S141 WeakPolarHBondContact O-CB 3.33Å; Y137-S141 PolarHBondContact O-N 3.02Å; Y137-S141 PolarHBondContact O-OG 3.4Å; Y137-E147 PolarHBondContact OH-OE1 3.39Å; Y137-E147 PolarHBondContact OH-OE2 2.91Å; Y137-I150 HydrophobicContact CD1-CD1 3.81Å; Y137-I150 HydrophobicContact CE1-CD1 3.13Å
138L96.8Very high94.6Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-66.6-34.4-178.9-68174.2000112I134 L135 R140 S141 E147 I173 V176 L177 K180 F181I134-L138 HydrophobicContact CG2-CD1 3.97Å; I134-L138 HydrophobicContact CG2-CG 4.35Å; I134-L138 WeakPolarHBondContact O-CG 3.4Å; I134-L138 PolarHBondContact O-N 3.02Å; L135-L138 PolarHBondContact O-N 2.91Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.21Å; L138-S141 PolarHBondContact O-N 3.26Å; L138-E147 HydrophobicContact CD2-CB 4.3Å; L138-E147 HydrophobicContact CD2-CG 4.2Å; L138-I173 HydrophobicContact CD1-CB 4.47Å; L138-I173 HydrophobicContact CD1-CG2 3.56Å; L138-V176 HydrophobicContact CB-CG1 3.8Å; L138-L177 HydrophobicContact CD1-CD2 3.97Å; L138-L177 HydrophobicContact CD1-CG 4.04Å; L138-L177 HydrophobicContact CD2-CD2 3.97Å; L138-K180 PolarHBondContact O-NZ 3.16Å; L138-F181 HydrophobicContact CB-CE2 4.12Å; L138-F181 HydrophobicContact CD2-CD2 4.43Å; L138-F181 HydrophobicContact CD2-CE2 3.89Å; L138-F181 HydrophobicContact CD2-CZ 4.27Å; L138-F181 WeakPolarHBondContact O-CZ 3.46Å
139N94.5Very high94.8Very high77 Ų7743.8 Ų43.841%0.41223%0.228SC..Hα-helixtrans-63.2-40174.4-76.3-23.9000111.7L135 Y137 K180L135-N139 WeakPolarHBondContact O-CB 3.47Å; L135-N139 PolarHBondContact O-N 2.9Å; L135-N139 PolarHBondContact O-ND2 2.69Å; Y137-N139 VanDerWaalsContact C-N 3.32Å; Y137-N139 PolarHBondContact O-N 2.86Å; N139-K180 PolarHBondContact O-NZ 3.49Å
140R93.5Very high94.9Very high80 Ų8041.4 Ų41.430%0.30222%0.219SC..Hα-helixtrans-79.3-21.9178.3-65.5171-171.3-168.4-0.3114.2V96 L103 E136 Y137 L138V96-R140 PolarHBondContact O-NH1 3.41Å; V96-R140 PolarHBondContact O-NH2 3.28Å; L103-R140 HydrophobicContact CD1-CB 4.17Å; L103-R140 WeakPolarHBondContact CD1-O 3.49Å; L103-R140 HydrophobicContact CD2-CB 3.48Å; L103-R140 VanDerWaalsContact CD2-CB 3.48Å; L103-R140 HydrophobicContact CD2-CG 4.42Å; L103-R140 HydrophobicContact CG-CB 4.38Å; E136-R140 VanDerWaalsContact O-CG 3.27Å; E136-R140 WeakPolarHBondContact O-CG 3.47Å; E136-R140 PolarHBondContact O-N 3.36Å; E136-R140 IonicContact OE1-CZ 3.97Å; E136-R140 IonicContact OE1-NE 2.63Å; E136-R140 PolarHBondContact OE1-NE 2.79Å; E136-R140 IonicContact OE1-NH2 2.96Å; E136-R140 PolarHBondContact OE1-NH2 3.32Å; Y137-R140 PolarHBondContact O-N 2.63Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.21Å
141S94.3Very high95Very high7 Ų741.2 Ų41.25%0.04922%0.218CC..SBendtrans-71.2149.2-178.5-62.70000112.4Y137 L138 K180Y137-S141 WeakPolarHBondContact CE1-OG 3.2Å; Y137-S141 WeakPolarHBondContact CE2-OG 3.25Å; Y137-S141 WeakPolarHBondContact O-CB 3.33Å; Y137-S141 PolarHBondContact O-N 3.02Å; Y137-S141 PolarHBondContact O-OG 3.4Å; L138-S141 PolarHBondContact O-N 3.26Å; S141-K180 PolarHBondContact O-NZ 2.94Å
142Q92.5Very high95Very high160 Ų16043.8 Ų43.875%0.74823%0.232SC*.PPolyproline II helixtrans-69.6134.9-173-175.4177.7-2.600111.7G144 S145 F181Q142-G144 PolarHBondContact O-N 2.59Å; Q142-S145 WeakPolarHBondContact O-CB 3.26Å; Q142-S145 PolarHBondContact O-N 3.45Å; Q142-S145 PolarHBondContact O-OG 3.16Å; Q142-S145 VanDerWaalsContact O-OG 3.14Å; Q142-F181 VanDerWaalsContact O-CE1 3.25Å; Q142-F181 WeakPolarHBondContact O-CE1 3.48Å
143M92.7Very high95Very high145 Ų14544 Ų4471%0.71423%0.23SC*.THydrogen-bonded Turntrans-59.4134.5174.3-167.2172.886.800110.9K180M143-K180 HydrophobicContact CG-CB 4.42Å
144G92.2Very high95.1Very high39 Ų3944.1 Ų44.140%0.40223%0.23SC..THydrogen-bonded Turntrans83.91.7-176.600000114.9Q142 K180Q142-G144 PolarHBondContact O-N 2.59Å; G144-K180 PolarHBondContact N-O 2.89Å
145S92.9Very high95Very high31 Ų3145.1 Ų45.122%0.21724%0.236CC..  trans-70.1156.3172.770.80000112Q142 E147 F181 E182Q142-S145 WeakPolarHBondContact O-CB 3.26Å; Q142-S145 PolarHBondContact O-N 3.45Å; Q142-S145 PolarHBondContact O-OG 3.16Å; Q142-S145 VanDerWaalsContact O-OG 3.14Å; S145-E147 PolarHBondContact O-N 2.94Å; S145-E147 PolarHBondContact OG-OE1 2.88Å; S145-F181 WeakPolarHBondContact O-CD1 3.34Å; S145-F181 VanDerWaalsContact OG-CD1 3.26Å; S145-F181 WeakPolarHBondContact OG-CD1 3.29Å; S145-F181 WeakPolarHBondContact OG-CE1 3.37Å; S145-E182 PolarHBondContact O-N 3.38Å
146D94.7Very high94.8Very high103 Ų10348.2 Ų48.255%0.55125%0.248SC*.BIsolated β-bridgetrans-82.4105.3171.9-177.8-2.2000109.7S148D146-S148 WeakPolarHBondContact OD1-CB 3.21Å; D146-S148 PolarHBondContact OD1-N 3.43Å; D146-S148 PolarHBondContact OD1-OG 3.32Å
147E94.9Very high94.7Very high9 Ų945.9 Ų45.94%0.04224%0.238CC..  trans-110.920.6172.7-57.7-55.914700111.9K107 Y137 L138 S145 E149 I150 A151 L177 F181K107-E147 IonicContact NZ-OE1 3.56Å; K107-E147 PolarHBondContact NZ-OE1 3.4Å; K107-E147 IonicContact NZ-OE2 3.7Å; K107-E147 PolarHBondContact NZ-OE2 2.84Å; Y137-E147 PolarHBondContact OH-OE1 3.39Å; Y137-E147 PolarHBondContact OH-OE2 2.91Å; L138-E147 HydrophobicContact CD2-CB 4.3Å; L138-E147 HydrophobicContact CD2-CG 4.2Å; S145-E147 PolarHBondContact O-N 2.94Å; S145-E147 PolarHBondContact OG-OE1 2.88Å; E147-E149 PolarHBondContact O-N 3.09Å; E147-I150 PolarHBondContact O-N 3.41Å; E147-I150 VanDerWaalsContact O-N 3.13Å; E147-I150 WeakPolarHBondContact OE2-CD1 3.48Å; E147-A151 PolarHBondContact O-N 3.36Å; E147-L177 HydrophobicContact CB-CD2 4.41Å; E147-F181 HydrophobicContact CB-CB 4.35Å; E147-F181 HydrophobicContact CB-CD1 4.23Å; E147-F181 HydrophobicContact CB-CG 4.13Å; E147-F181 HydrophobicContact CG-CB 4.46Å; E147-F181 HydrophobicContact CG-CD1 3.45Å; E147-F181 VanDerWaalsContact CG-CD1 3.45Å; E147-F181 HydrophobicContact CG-CD2 4.37Å; E147-F181 HydrophobicContact CG-CE1 3.66Å; E147-F181 HydrophobicContact CG-CG 3.83Å; E147-F181 HydrophobicContact CG-CZ 4.21Å
148S95Very high94.6Very high29 Ų2945.7 Ų45.720%0.20324%0.237CC..Hα-helixtrans-58.3-33.8-179.564.60000112.8D146 A151 N152D146-S148 WeakPolarHBondContact OD1-CB 3.21Å; D146-S148 PolarHBondContact OD1-N 3.43Å; D146-S148 PolarHBondContact OD1-OG 3.32Å; S148-A151 PolarHBondContact O-N 3.24Å; S148-N152 WeakPolarHBondContact O-CB 3.46Å; S148-N152 PolarHBondContact O-N 2.92Å
149E96Very high94.2Very high86 Ų8651.8 Ų51.840%0.40227%0.27SS..Hα-helixtrans-65.9-44.5176.4-171.7179.1-158.300112L111 K115 E147 E153L111-E149 HydrophobicContact CD2-CG 4.09Å; K115-E149 WeakPolarHBondContact CE-OE1 3.38Å; K115-E149 IonicContact NZ-OE1 3.57Å; K115-E149 PolarHBondContact NZ-OE1 3.02Å; E147-E149 PolarHBondContact O-N 3.09Å; E149-E153 WeakPolarHBondContact O-CB 3.41Å; E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.49Å
150I96.1Very high93.8Very high0 Ų051.2 Ų51.20%028%0.282CS..Hα-helixtrans-66.4-44.7176.7-65.1177.5000109.7K107 L111 L114 I134 Y137 E147 N152 E153 L154K107-I150 HydrophobicContact CG-CD1 4.05Å; L111-I150 HydrophobicContact CD2-CG1 3.79Å; L111-I150 HydrophobicContact CG-CG1 4.24Å; L114-I150 HydrophobicContact CD1-CG2 4.35Å; I134-I150 HydrophobicContact CG2-CG2 4.38Å; Y137-I150 HydrophobicContact CD1-CD1 3.81Å; Y137-I150 HydrophobicContact CE1-CD1 3.13Å; E147-I150 PolarHBondContact O-N 3.41Å; E147-I150 VanDerWaalsContact O-N 3.13Å; E147-I150 WeakPolarHBondContact OE2-CD1 3.48Å; I150-N152 PolarHBondContact O-N 2.79Å; I150-E153 PolarHBondContact O-N 3.36Å; I150-L154 WeakPolarHBondContact O-CB 3.48Å; I150-L154 PolarHBondContact O-N 2.93Å
151A96.7Very high93.8Very high0 Ų048 Ų480%027%0.271CS..Hα-helixtrans-57.4-51.5177.400000110.9E147 S148 E153 L154 L155 L177 L183 V186E147-A151 PolarHBondContact O-N 3.36Å; S148-A151 PolarHBondContact O-N 3.24Å; A151-E153 PolarHBondContact O-N 3.45Å; A151-L154 PolarHBondContact O-N 3.3Å; A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.32Å; A151-L155 PolarHBondContact O-N 3.05Å; A151-L177 HydrophobicContact CB-CD1 3.95Å; A151-L177 HydrophobicContact CB-CD2 4.22Å; A151-L183 HydrophobicContact CB-CD2 4.08Å; A151-V186 HydrophobicContact CB-CG1 4.18Å
152N96.5Very high93.7Very high54 Ų5451.5 Ų51.529%0.28930%0.299SS..Hα-helixtrans-61.4-44.6-179.2-169.922.9000112.4S148 I150 K156 V186S148-N152 WeakPolarHBondContact O-CB 3.46Å; S148-N152 PolarHBondContact O-N 2.92Å; I150-N152 PolarHBondContact O-N 2.79Å; N152-K156 PolarHBondContact ND2-NZ 3.38Å; N152-K156 WeakPolarHBondContact O-CG 3.38Å; N152-K156 PolarHBondContact O-N 3.45Å; N152-K156 WeakPolarHBondContact OD1-CE 3.44Å; N152-K156 PolarHBondContact OD1-NZ 3.24Å; N152-V186 HydrophobicContact CB-CG1 4.39Å; N152-V186 HydrophobicContact CB-CG2 4.32Å
153E96.5Very high93.5Very high23 Ų2344.5 Ų44.511%0.10727%0.267CS..Hα-helixtrans-73.7-28179.1-65.8-56.2123.200112.9L114 K115 R117 E149 I150 A151 K156 S157L114-E153 HydrophobicContact CB-CB 4.07Å; L114-E153 HydrophobicContact CD1-CB 4.36Å; K115-E153 HydrophobicContact CG-CG 4.19Å; R117-E153 IonicContact CZ-OE2 3.72Å; R117-E153 IonicContact NH1-OE2 2.91Å; R117-E153 PolarHBondContact NH1-OE2 3.08Å; R117-E153 IonicContact NH2-OE1 3.45Å; R117-E153 IonicContact NH2-OE2 3.65Å; R117-E153 PolarHBondContact NH2-OE2 2.95Å; E149-E153 WeakPolarHBondContact O-CB 3.41Å; E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.49Å; I150-E153 PolarHBondContact O-N 3.36Å; A151-E153 PolarHBondContact O-N 3.45Å; E153-K156 IonicContact OE1-NZ 3.69Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å; E153-S157 VanDerWaalsContact O-CB 3.31Å; E153-S157 WeakPolarHBondContact O-CB 3.38Å; E153-S157 PolarHBondContact O-N 3.35Å; E153-S157 PolarHBondContact O-OG 3.02Å
154L96.4Very high93.5Very high6 Ų638.4 Ų38.43%0.03124%0.239CC..Hα-helixtrans-66.9-51.9170.9175.366.2000111L114 Y131 I134 I150 A151 K156 S157 A158 L170 I173 L177L114-L154 HydrophobicContact CD1-CB 4.43Å; L114-L154 HydrophobicContact CD2-CD1 4.4Å; Y131-L154 HydrophobicContact CD1-CD1 3.91Å; Y131-L154 HydrophobicContact CE1-CD1 3.74Å; I134-L154 HydrophobicContact CD1-CD1 4.03Å; I150-L154 WeakPolarHBondContact O-CB 3.48Å; I150-L154 PolarHBondContact O-N 2.93Å; A151-L154 PolarHBondContact O-N 3.3Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.96Å; L154-S157 CarbonylContact O-C 3.59Å; L154-S157 WeakPolarHBondContact O-CA 3.4Å; L154-S157 PolarHBondContact O-N 3.42Å; L154-A158 HydrophobicContact CD1-CB 4.46Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.37Å; L154-A158 PolarHBondContact O-N 3.32Å; L154-L170 HydrophobicContact CD1-CD2 3.98Å; L154-L170 HydrophobicContact CD2-CD2 4.44Å; L154-L170 HydrophobicContact CG-CD2 4.36Å; L154-I173 HydrophobicContact CD2-CB 4.37Å; L154-I173 HydrophobicContact CD2-CD1 4.38Å; L154-I173 HydrophobicContact CD2-CG2 3.36Å; L154-L177 HydrophobicContact CD2-CD1 4.44Å
155L94.6Very high93.5Very high21 Ų2140 Ų4011%0.1123%0.232CC..Hα-helixtrans-55.1-44.1-179.8-67.9177000111A151 S157 A158 D159 V186 D189 L190 F193A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.32Å; A151-L155 PolarHBondContact O-N 3.05Å; L155-S157 VanDerWaalsContact C-N 3.31Å; L155-S157 PolarHBondContact O-N 3.22Å; L155-A158 PolarHBondContact O-N 2.98Å; L155-D159 PolarHBondContact O-N 3.16Å; L155-D159 VanDerWaalsContact O-N 3.12Å; L155-V186 HydrophobicContact CD1-CG1 3.94Å; L155-D189 HydrophobicContact CD1-CB 4.21Å; L155-L190 HydrophobicContact CD2-CD1 4.05Å; L155-F193 HydrophobicContact CD2-CB 3.74Å; L155-F193 HydrophobicContact CD2-CD1 3.64Å; L155-F193 HydrophobicContact CD2-CD2 3.83Å; L155-F193 HydrophobicContact CD2-CE1 4.16Å; L155-F193 HydrophobicContact CD2-CE2 4.34Å; L155-F193 HydrophobicContact CD2-CG 3.44Å; L155-F193 VanDerWaalsContact CD2-CG 3.44Å; L155-F193 HydrophobicContact CD2-CZ 4.49Å
156K93.2Very high93.5Very high86 Ų8638.5 Ų38.537%0.37422%0.222SC..Hα-helixtrans-65-30.4174.6-66.7170.8-163.2160.10114.1R117 N152 E153 L154R117-K156 VanDerWaalsContact NH2-CD 3.27Å; N152-K156 PolarHBondContact ND2-NZ 3.38Å; N152-K156 WeakPolarHBondContact O-CG 3.38Å; N152-K156 PolarHBondContact O-N 3.45Å; N152-K156 WeakPolarHBondContact OD1-CE 3.44Å; N152-K156 PolarHBondContact OD1-NZ 3.24Å; E153-K156 IonicContact OE1-NZ 3.69Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.96Å
157S93Very high93.6Very high2 Ų234.2 Ų34.21%0.01420%0.199CC..Hα-helixtrans-90.5-18-177.3-56.20000113.1L114 R117 I120 E153 L154 L155L114-S157 PolarHBondContact O-OG 2.9Å; R117-S157 PolarHBondContact NH1-OG 2.97Å; I120-S157 VanDerWaalsContact CG1-O 3.29Å; I120-S157 WeakPolarHBondContact CG1-O 3.36Å; E153-S157 VanDerWaalsContact O-CB 3.31Å; E153-S157 WeakPolarHBondContact O-CB 3.38Å; E153-S157 PolarHBondContact O-N 3.35Å; E153-S157 PolarHBondContact O-OG 3.02Å; L154-S157 CarbonylContact O-C 3.59Å; L154-S157 WeakPolarHBondContact O-CA 3.4Å; L154-S157 PolarHBondContact O-N 3.42Å; L155-S157 VanDerWaalsContact C-N 3.31Å; L155-S157 PolarHBondContact O-N 3.22Å
158A93.9Very high93.6Very high2 Ų235 Ų352%0.01720%0.203CC..Hα-helixtrans-101.1-4.5178.700000112.9Y131 L154 L155 G160 E161 L170 F193Y131-A158 HydrophobicContact CE1-CB 4.44Å; L154-A158 HydrophobicContact CD1-CB 4.46Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.37Å; L154-A158 PolarHBondContact O-N 3.32Å; L155-A158 PolarHBondContact O-N 2.98Å; A158-G160 PolarHBondContact O-N 3.23Å; A158-E161 VanDerWaalsContact O-CB 3.23Å; A158-E161 WeakPolarHBondContact O-CB 3.11Å; A158-E161 PolarHBondContact O-N 3.14Å; A158-L170 HydrophobicContact CB-CD1 3.9Å; A158-L170 HydrophobicContact CB-CD2 3.72Å; A158-L170 HydrophobicContact CB-CG 4.5Å; A158-F193 HydrophobicContact CB-CE2 4.37Å; A158-F193 HydrophobicContact CB-CZ 3.95Å
159D88.9Confident93.7Very high128 Ų12835.1 Ų35.168%0.68420%0.202SC*.THydrogen-bonded Turntrans-52.7127.8175.9-173.125.3000111.2L155 E161L155-D159 PolarHBondContact O-N 3.16Å; L155-D159 VanDerWaalsContact O-N 3.12Å; D159-E161 VanDerWaalsContact C-N 3.33Å; D159-E161 PolarHBondContact O-N 3.39Å
160G86.3Confident93.7Very high65 Ų6531.2 Ų31.267%0.6718%0.183SC*.THydrogen-bonded Turntrans73.511.5-175.200000116A158 A162A158-G160 PolarHBondContact O-N 3.23Å; G160-A162 PolarHBondContact O-N 3.12Å
161E93.1Very high93.8Very high13 Ų1331.2 Ų31.26%0.06118%0.183CC..  trans-61.5129.4173.1-175.863.4-98.100110.3R127 A158 D159 D163 C166 L167 L170 Y197R127-E161 IonicContact CZ-OE1 3.44Å; R127-E161 IonicContact CZ-OE2 3.43Å; R127-E161 IonicContact NE-OE1 3.44Å; R127-E161 IonicContact NE-OE2 2.69Å; R127-E161 PolarHBondContact NE-OE2 3.4Å; R127-E161 IonicContact NH2-OE1 2.72Å; R127-E161 PolarHBondContact NH2-OE1 2.97Å; R127-E161 IonicContact NH2-OE2 3.05Å; A158-E161 VanDerWaalsContact O-CB 3.23Å; A158-E161 WeakPolarHBondContact O-CB 3.11Å; A158-E161 PolarHBondContact O-N 3.14Å; D159-E161 VanDerWaalsContact C-N 3.33Å; D159-E161 PolarHBondContact O-N 3.39Å; E161-D163 WeakPolarHBondContact OE1-CB 3.29Å; E161-D163 PolarHBondContact OE1-N 2.94Å; E161-D163 VanDerWaalsContact OE1-N 3.09Å; E161-C166 VanDerWaalsContact CD-CB 3.47Å; E161-C166 HydrophobicContact CG-CB 3.62Å; E161-L167 HydrophobicContact CB-CD2 4.45Å; E161-L167 HydrophobicContact CG-CD2 4.25Å; E161-L170 HydrophobicContact CB-CD1 3.85Å; E161-L170 HydrophobicContact CG-CD1 3.77Å; E161-Y197 WeakPolarHBondContact O-CE1 3.48Å; E161-Y197 PolarHBondContact O-OH 3.28Å
162A91Very high93.8Very high79 Ų7935.8 Ų35.865%0.65320%0.203SC*.  trans-129.1-7.4-175.800000112.6G160 P164G160-A162 PolarHBondContact O-N 3.12Å; A162-P164 WeakPolarHBondContact O-CD 3.45Å
163D89.9Confident93.9Very high14 Ų1433.2 Ų33.28%0.07519%0.19CC..  trans-73.5121.4178.4174.3-139.7000111.3Q124 E161 R165 C166 L167Q124-D163 HydrophobicContact CG-CB 3.96Å; Q124-D163 VanDerWaalsContact CG-CG 3.48Å; Q124-D163 WeakPolarHBondContact CG-OD1 3.41Å; Q124-D163 PolarHBondContact NE2-OD1 3.21Å; Q124-D163 PolarHBondContact NE2-OD2 2.93Å; E161-D163 WeakPolarHBondContact OE1-CB 3.29Å; E161-D163 PolarHBondContact OE1-N 2.94Å; E161-D163 VanDerWaalsContact OE1-N 3.09Å; D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 VanDerWaalsContact O-N 3.07Å; D163-R165 VanDerWaalsContact OD1-CB 3.32Å; D163-R165 WeakPolarHBondContact OD1-CB 3.39Å; D163-R165 IonicContact OD1-NE 2.8Å; D163-R165 PolarHBondContact OD1-NE 3.47Å; D163-R165 IonicContact OD2-NE 3.26Å; D163-C166 HydrophobicContact CB-CB 4.08Å; D163-C166 WeakPolarHBondContact O-CB 3.5Å; D163-C166 PolarHBondContact O-N 3.3Å; D163-C166 PolarHBondContact OD1-N 2.81Å; D163-C166 PolarHBondContact OD1-SG 3.45Å; D163-L167 WeakPolarHBondContact O-CG 3.3Å; D163-L167 PolarHBondContact O-N 2.88Å
164P91.4Very high93.9Very high17 Ų1732.1 Ų32.111%0.1118%0.184CC..Hα-helixtrans-52.7-34.6178.721.2-37000114A162 L167 I168 Y202 I212 L217A162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-L167 PolarHBondContact O-N 2.92Å; P164-I168 WeakPolarHBondContact O-CG1 3.37Å; P164-I168 PolarHBondContact O-N 3.21Å; P164-I168 VanDerWaalsContact O-N 3.11Å; P164-Y202 HydrophobicContact CB-CE1 4.38Å; P164-Y202 HydrophobicContact CB-CE2 4.1Å; P164-Y202 HydrophobicContact CG-CE2 3.8Å; P164-I212 HydrophobicContact CB-CB 4.48Å; P164-I212 HydrophobicContact CB-CD1 4.36Å; P164-I212 HydrophobicContact CB-CG2 4.03Å; P164-L217 HydrophobicContact CB-CD1 4.12Å; P164-L217 HydrophobicContact CB-CD2 4.32Å
165R91.9Very high93.9Very high72 Ų7233.4 Ų33.427%0.27219%0.19SC..Hα-helixtrans-70.6-36.2-179.2-49.6176.6-76-173-9.3111.9D163 C210 I212D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 VanDerWaalsContact O-N 3.07Å; D163-R165 VanDerWaalsContact OD1-CB 3.32Å; D163-R165 WeakPolarHBondContact OD1-CB 3.39Å; D163-R165 IonicContact OD1-NE 2.8Å; D163-R165 PolarHBondContact OD1-NE 3.47Å; D163-R165 IonicContact OD2-NE 3.26Å; R165-C210 WeakPolarHBondContact CD-SG 3.46Å; R165-C210 HydrophobicContact CG-CB 4.45Å; R165-I212 HydrophobicContact CB-CD1 4.04Å; R165-I212 HydrophobicContact CG-CD1 3.6Å
166C94.4Very high94Very high0 Ų033.2 Ų33.20%019%0.19CC..Hα-helixtrans-73.6-40.9174.5-650000111.2Y131 E161 D163 I168 L169 L170Y131-C166 HydrophobicContact CD2-CB 3.9Å; Y131-C166 HydrophobicContact CE2-CB 3.74Å; E161-C166 VanDerWaalsContact CD-CB 3.47Å; E161-C166 HydrophobicContact CG-CB 3.62Å; D163-C166 HydrophobicContact CB-CB 4.08Å; D163-C166 WeakPolarHBondContact O-CB 3.5Å; D163-C166 PolarHBondContact O-N 3.3Å; D163-C166 PolarHBondContact OD1-N 2.81Å; D163-C166 PolarHBondContact OD1-SG 3.45Å; C166-I168 PolarHBondContact O-N 3.19Å; C166-L169 WeakPolarHBondContact O-CB 3.45Å; C166-L169 PolarHBondContact O-N 3.37Å; C166-L169 VanDerWaalsContact O-N 3.09Å; C166-L170 WeakPolarHBondContact O-CG 3.25Å; C166-L170 PolarHBondContact O-N 3.03Å
167L95.4Very high94.2Very high13 Ų1329.1 Ų29.17%0.06817%0.172CC..Hα-helixtrans-60-42.7178.2-68.8176.6000112.7E161 D163 P164 L169 L170 F171 Y197 L217E161-L167 HydrophobicContact CB-CD2 4.45Å; E161-L167 HydrophobicContact CG-CD2 4.25Å; D163-L167 WeakPolarHBondContact O-CG 3.3Å; D163-L167 PolarHBondContact O-N 2.88Å; P164-L167 PolarHBondContact O-N 2.92Å; L167-L169 VanDerWaalsContact C-N 3.26Å; L167-L169 PolarHBondContact O-N 2.9Å; L167-L170 HydrophobicContact CD2-CD1 4.37Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-N 3.16Å; L167-F171 HydrophobicContact CB-CE2 4.11Å; L167-F171 HydrophobicContact CB-CZ 4.15Å; L167-F171 HydrophobicContact CD2-CZ 4.39Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; L167-F171 WeakPolarHBondContact O-CG 3.42Å; L167-F171 PolarHBondContact O-N 3.04Å; L167-Y197 HydrophobicContact CD1-CD1 4.28Å; L167-Y197 HydrophobicContact CD1-CE1 4.13Å; L167-Y197 HydrophobicContact CD2-CD1 3.98Å; L167-Y197 HydrophobicContact CD2-CE1 3.36Å; L167-Y197 HydrophobicContact CD2-CE2 4.19Å; L167-Y197 VanDerWaalsContact CD2-CZ 3.46Å; L167-Y197 HydrophobicContact CG-CE1 4.4Å; L167-L217 HydrophobicContact CB-CD2 3.8Å; L167-L217 HydrophobicContact CD1-CD2 4.47Å
168I95.4Very high94.4Very high26 Ų2629.4 Ų29.413%0.13317%0.174CC..Hα-helixtrans-57-40.4174.3-67.5-69000111.7P164 C166 K172 I212 N216 L217 S220P164-I168 WeakPolarHBondContact O-CG1 3.37Å; P164-I168 PolarHBondContact O-N 3.21Å; P164-I168 VanDerWaalsContact O-N 3.11Å; C166-I168 PolarHBondContact O-N 3.19Å; I168-K172 WeakPolarHBondContact O-CG 3.43Å; I168-K172 PolarHBondContact O-N 3.14Å; I168-I212 HydrophobicContact CG1-CD1 4.18Å; I168-I212 HydrophobicContact CG1-CG2 4.27Å; I168-N216 HydrophobicContact CD1-CB 4.33Å; I168-N216 WeakPolarHBondContact CD1-O 3.38Å; I168-L217 HydrophobicContact CD1-CD2 3.79Å; I168-L217 HydrophobicContact CD1-CG 4.32Å; I168-L217 HydrophobicContact CG1-CD2 3.87Å; I168-S220 VanDerWaalsContact CD1-OG 3.25Å; I168-S220 WeakPolarHBondContact CD1-OG 3.3Å
169L96.3Very high94.4Very high31 Ų3134.6 Ų34.616%0.16220%0.198CC..Hα-helixtrans-71.7-40.8177.5-68.9169000111.6S128 A132 L135 C166 L167 K172 I173S128-L169 WeakPolarHBondContact O-CD1 3.46Å; A132-L169 HydrophobicContact CB-CD1 4.41Å; L135-L169 HydrophobicContact CD2-CD2 4.13Å; C166-L169 WeakPolarHBondContact O-CB 3.45Å; C166-L169 PolarHBondContact O-N 3.37Å; C166-L169 VanDerWaalsContact O-N 3.09Å; L167-L169 VanDerWaalsContact C-N 3.26Å; L167-L169 PolarHBondContact O-N 2.9Å; L169-K172 PolarHBondContact O-N 3.2Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.02Å; L169-I173 PolarHBondContact O-N 3.07Å
170L97.2Very high94.7Very high3 Ų330.6 Ų30.62%0.01618%0.175CC..Hα-helixtrans-63.2-41.7176.8-74.1170.2000112.1Y131 L154 A158 E161 C166 L167 I173 G174Y131-L170 HydrophobicContact CD1-CD2 3.97Å; Y131-L170 HydrophobicContact CD2-CG 4.32Å; Y131-L170 HydrophobicContact CE1-CD2 3.83Å; Y131-L170 HydrophobicContact CE2-CD1 4.22Å; Y131-L170 HydrophobicContact CE2-CD2 4.42Å; Y131-L170 HydrophobicContact CE2-CG 4.24Å; Y131-L170 HydrophobicContact CG-CD2 4.34Å; L154-L170 HydrophobicContact CD1-CD2 3.98Å; L154-L170 HydrophobicContact CD2-CD2 4.44Å; L154-L170 HydrophobicContact CG-CD2 4.36Å; A158-L170 HydrophobicContact CB-CD1 3.9Å; A158-L170 HydrophobicContact CB-CD2 3.72Å; A158-L170 HydrophobicContact CB-CG 4.5Å; E161-L170 HydrophobicContact CB-CD1 3.85Å; E161-L170 HydrophobicContact CG-CD1 3.77Å; C166-L170 WeakPolarHBondContact O-CG 3.25Å; C166-L170 PolarHBondContact O-N 3.03Å; L167-L170 HydrophobicContact CD2-CD1 4.37Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-N 3.16Å; L170-I173 PolarHBondContact O-N 3.27Å; L170-G174 PolarHBondContact O-N 3.29Å
171F97.5Very high95.2Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-64.7-39.6175.7-60.5-24.9000111.7L167 G174 E175 M194 Y197 I200 L217 L221 C224L167-F171 HydrophobicContact CB-CE2 4.11Å; L167-F171 HydrophobicContact CB-CZ 4.15Å; L167-F171 HydrophobicContact CD2-CZ 4.39Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; L167-F171 WeakPolarHBondContact O-CG 3.42Å; L167-F171 PolarHBondContact O-N 3.04Å; F171-G174 PolarHBondContact O-N 3.29Å; F171-E175 PolarHBondContact O-N 2.88Å; F171-M194 HydrophobicContact CD1-SD 3.81Å; F171-M194 HydrophobicContact CE1-SD 4.32Å; F171-Y197 AromaticContact CE1-CD2 3.82Å; F171-Y197 HydrophobicContact CE1-CD2 3.82Å; F171-Y197 HydrophobicContact CE1-CE2 4.43Å; F171-Y197 AromaticContact CE1-CG 4Å; F171-Y197 HydrophobicContact CE1-CG 4Å; F171-Y197 HydrophobicContact CZ-CD1 4.46Å; F171-Y197 HydrophobicContact CZ-CD2 4.25Å; F171-Y197 AromaticContact CZ-CG 3.94Å; F171-Y197 HydrophobicContact CZ-CG 3.94Å; F171-I200 HydrophobicContact CE2-CD1 4.42Å; F171-I200 HydrophobicContact CZ-CD1 4.42Å; F171-L217 HydrophobicContact CE2-CD2 4.12Å; F171-L221 HydrophobicContact CD1-CD1 4.11Å; F171-L221 HydrophobicContact CD2-CB 4.08Å; F171-L221 HydrophobicContact CE1-CD1 3.89Å; F171-L221 HydrophobicContact CE2-CB 3.93Å; F171-L221 HydrophobicContact CG-CB 4.49Å; F171-L221 HydrophobicContact CZ-CB 4.23Å; F171-L221 HydrophobicContact CZ-CD1 4.18Å; F171-C224 HydrophobicContact CB-CB 4.37Å; F171-C224 WeakPolarHBondContact O-CB 3.39Å
172K97.4Very high95.1Very high96 Ų9634.2 Ų34.242%0.41717%0.174SC..Hα-helixtrans-64.2-41.1172.2-74.1178.6179.7-1730112.6L135 I168 L169 G174 E175 V176L135-K172 HydrophobicContact CD1-CB 4.26Å; L135-K172 HydrophobicContact CD2-CB 3.99Å; L135-K172 HydrophobicContact CD2-CD 4.21Å; I168-K172 WeakPolarHBondContact O-CG 3.43Å; I168-K172 PolarHBondContact O-N 3.14Å; L169-K172 PolarHBondContact O-N 3.2Å; K172-G174 VanDerWaalsContact C-N 3.33Å; K172-E175 PolarHBondContact O-N 3.48Å; K172-V176 WeakPolarHBondContact O-CB 3.25Å; K172-V176 VanDerWaalsContact O-CG2 3.26Å; K172-V176 WeakPolarHBondContact O-CG2 3.46Å; K172-V176 PolarHBondContact O-N 3.38Å
173I97.6Very high95.2Very high1 Ų130.8 Ų30.81%0.00515%0.145CC..Hα-helixtrans-62.5-44.2174.3-69.4162.4000109.9I134 L135 L138 L154 L169 L170 V176 L177I134-I173 HydrophobicContact CB-CD1 4.27Å; I134-I173 HydrophobicContact CG2-CD1 4.09Å; I134-I173 HydrophobicContact CG2-CG1 4.49Å; L135-I173 HydrophobicContact CB-CD1 4.44Å; L135-I173 HydrophobicContact CB-CG1 3.88Å; L135-I173 HydrophobicContact CD1-CG1 4.06Å; L135-I173 HydrophobicContact CG-CG1 4.48Å; L138-I173 HydrophobicContact CD1-CB 4.47Å; L138-I173 HydrophobicContact CD1-CG2 3.56Å; L154-I173 HydrophobicContact CD2-CB 4.37Å; L154-I173 HydrophobicContact CD2-CD1 4.38Å; L154-I173 HydrophobicContact CD2-CG2 3.36Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.02Å; L169-I173 PolarHBondContact O-N 3.07Å; L170-I173 PolarHBondContact O-N 3.27Å; I173-V176 PolarHBondContact O-N 3.15Å; I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 HydrophobicContact CG2-CG 4.12Å; I173-L177 WeakPolarHBondContact O-CB 3.45Å; I173-L177 VanDerWaalsContact O-CG 3.27Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.42Å
174G96.8Very high95.2Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-58.3-46.217600000113.2L170 F171 K172 V176 L177 A178 C224L170-G174 PolarHBondContact O-N 3.29Å; F171-G174 PolarHBondContact O-N 3.29Å; K172-G174 VanDerWaalsContact C-N 3.33Å; G174-V176 PolarHBondContact O-N 2.9Å; G174-L177 PolarHBondContact O-N 3.25Å; G174-A178 WeakPolarHBondContact O-CB 3.39Å; G174-A178 PolarHBondContact O-N 3.07Å; G174-C224 VanDerWaalsContact C-SG 3.52Å
175E96.9Very high95.2Very high33 Ų3337.1 Ų37.115%0.15420%0.195CC..Hα-helixtrans-57.7-50.2174.8-178.1177-166.300110.9F171 K172 L177 A178 Q179 C224 A227 R265F171-E175 PolarHBondContact O-N 2.88Å; K172-E175 PolarHBondContact O-N 3.48Å; E175-L177 VanDerWaalsContact C-N 3.35Å; E175-L177 PolarHBondContact O-N 3.03Å; E175-A178 PolarHBondContact O-N 2.76Å; E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 PolarHBondContact O-N 3.47Å; E175-C224 HydrophobicContact CB-CB 4.41Å; E175-C224 PolarHBondContact N-SG 3.23Å; E175-A227 HydrophobicContact CB-CB 4.38Å; E175-A227 HydrophobicContact CG-CB 3.93Å; E175-R265 IonicContact OE1-CZ 3.36Å; E175-R265 VanDerWaalsContact OE1-CZ 3.26Å; E175-R265 IonicContact OE1-NH1 3.56Å; E175-R265 PolarHBondContact OE1-NH1 3.32Å; E175-R265 IonicContact OE1-NH2 2.68Å; E175-R265 PolarHBondContact OE1-NH2 2.95Å
176V97.3Very high95.3Very high16 Ų1634.2 Ų34.210%0.09719%0.186CC..Hα-helixtrans-62.9-40.9179.6172.40000111.4L135 L138 K172 I173 G174 K180 F181L135-V176 HydrophobicContact CD1-CG2 4.03Å; L138-V176 HydrophobicContact CB-CG1 3.8Å; K172-V176 WeakPolarHBondContact O-CB 3.25Å; K172-V176 VanDerWaalsContact O-CG2 3.26Å; K172-V176 WeakPolarHBondContact O-CG2 3.46Å; K172-V176 PolarHBondContact O-N 3.38Å; I173-V176 PolarHBondContact O-N 3.15Å; G174-V176 PolarHBondContact O-N 2.9Å; V176-K180 HydrophobicContact CG1-CD 3.95Å; V176-K180 WeakPolarHBondContact O-CB 3.23Å; V176-K180 PolarHBondContact O-N 3.24Å; V176-F181 HydrophobicContact CG1-CE2 3.9Å
177L97.4Very high95.2Very high1 Ų140.1 Ų40.11%0.00521%0.208CC..Hα-helixtrans-61.8-50.5175.5-74.8173.1000111.7L138 E147 A151 L154 I173 G174 E175 Q179 F181 L183 L190L138-L177 HydrophobicContact CD1-CD2 3.97Å; L138-L177 HydrophobicContact CD1-CG 4.04Å; L138-L177 HydrophobicContact CD2-CD2 3.97Å; E147-L177 HydrophobicContact CB-CD2 4.41Å; A151-L177 HydrophobicContact CB-CD1 3.95Å; A151-L177 HydrophobicContact CB-CD2 4.22Å; L154-L177 HydrophobicContact CD2-CD1 4.44Å; I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 HydrophobicContact CG2-CG 4.12Å; I173-L177 WeakPolarHBondContact O-CB 3.45Å; I173-L177 VanDerWaalsContact O-CG 3.27Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.42Å; G174-L177 PolarHBondContact O-N 3.25Å; E175-L177 VanDerWaalsContact C-N 3.35Å; E175-L177 PolarHBondContact O-N 3.03Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.34Å; L177-F181 HydrophobicContact CD2-CD2 4.16Å; L177-F181 PolarHBondContact O-N 2.98Å; L177-L183 HydrophobicContact CB-CD1 4.17Å; L177-L183 HydrophobicContact CB-CD2 4.43Å; L177-L183 HydrophobicContact CD2-CD2 4.1Å; L177-L190 HydrophobicContact CB-CD2 3.91Å; L177-L190 HydrophobicContact CD1-CD1 4.44Å
178A96.1Very high95.1Very high7 Ų742.4 Ų42.46%0.05822%0.22CC..Hα-helixtrans-69.2-28.7-177.700000113.6G174 E175 L190 A227 S228 W230 L231G174-A178 WeakPolarHBondContact O-CB 3.39Å; G174-A178 PolarHBondContact O-N 3.07Å; E175-A178 PolarHBondContact O-N 2.76Å; A178-L190 HydrophobicContact CB-CD2 4.23Å; A178-A227 HydrophobicContact CB-CB 3.81Å; A178-S228 WeakPolarHBondContact O-CB 3.26Å; A178-W230 HydrophobicContact CB-CZ2 4.01Å; A178-W230 PolarHBondContact O-NE1 3.11Å; A178-L231 HydrophobicContact CB-CD1 4.14Å
179Q94.9Very high95Very high112 Ų11245.2 Ų45.252%0.52324%0.235SC..Hα-helixtrans-88.2-41.5-178.2-170.8-177.71400113.4E175 L177E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 PolarHBondContact O-N 3.47Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.34Å
180K94.8Very high94.9Very high44 Ų4444 Ų4419%0.19123%0.229CC..Hα-helixtrans-102.2-24.8-167.5-68.9-177.371.1-164.40115.3L138 N139 S141 M143 G144 V176L138-K180 PolarHBondContact O-NZ 3.16Å; N139-K180 PolarHBondContact O-NZ 3.49Å; S141-K180 PolarHBondContact O-NZ 2.94Å; M143-K180 HydrophobicContact CG-CB 4.42Å; G144-K180 PolarHBondContact N-O 2.89Å; V176-K180 HydrophobicContact CG1-CD 3.95Å; V176-K180 WeakPolarHBondContact O-CB 3.23Å; V176-K180 PolarHBondContact O-N 3.24Å
181F95.9Very high94.8Very high16 Ų1644.3 Ų44.37%0.0723%0.23CC..SBendtrans-122.2151.5-162.8-60.9-71.6000113L138 Q142 S145 E147 V176 L177 L183L138-F181 HydrophobicContact CB-CE2 4.12Å; L138-F181 HydrophobicContact CD2-CD2 4.43Å; L138-F181 HydrophobicContact CD2-CE2 3.89Å; L138-F181 HydrophobicContact CD2-CZ 4.27Å; L138-F181 WeakPolarHBondContact O-CZ 3.46Å; Q142-F181 VanDerWaalsContact O-CE1 3.25Å; Q142-F181 WeakPolarHBondContact O-CE1 3.48Å; S145-F181 WeakPolarHBondContact O-CD1 3.34Å; S145-F181 VanDerWaalsContact OG-CD1 3.26Å; S145-F181 WeakPolarHBondContact OG-CD1 3.29Å; S145-F181 WeakPolarHBondContact OG-CE1 3.37Å; E147-F181 HydrophobicContact CB-CB 4.35Å; E147-F181 HydrophobicContact CB-CD1 4.23Å; E147-F181 HydrophobicContact CB-CG 4.13Å; E147-F181 HydrophobicContact CG-CB 4.46Å; E147-F181 HydrophobicContact CG-CD1 3.45Å; E147-F181 VanDerWaalsContact CG-CD1 3.45Å; E147-F181 HydrophobicContact CG-CD2 4.37Å; E147-F181 HydrophobicContact CG-CE1 3.66Å; E147-F181 HydrophobicContact CG-CG 3.83Å; E147-F181 HydrophobicContact CG-CZ 4.21Å; V176-F181 HydrophobicContact CG1-CE2 3.9Å; L177-F181 HydrophobicContact CD2-CD2 4.16Å; L177-F181 PolarHBondContact O-N 2.98Å; F181-L183 HydrophobicContact CB-CD2 4.18Å
182E90.8Very high94.5Very high137 Ų13750.1 Ų50.164%0.6426%0.258SS*.BIsolated β-bridgetrans-81.3117.7169.1-66.5-170.7176.500108.7S145S145-E182 PolarHBondContact O-N 3.38Å
183L93Very high94.3Very high8 Ų847 Ų474%0.04224%0.244CC..  trans-105-6.6-177.1-56.4179.3000113.2A151 L177 F181 V186 R187 L190A151-L183 HydrophobicContact CB-CD2 4.08Å; L177-L183 HydrophobicContact CB-CD1 4.17Å; L177-L183 HydrophobicContact CB-CD2 4.43Å; L177-L183 HydrophobicContact CD2-CD2 4.1Å; F181-L183 HydrophobicContact CB-CD2 4.18Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.24Å; L183-R187 HydrophobicContact CB-CB 4.23Å; L183-L190 HydrophobicContact CD1-CD2 3.4Å
184G90.2Very high94.1Very high49 Ų4947.3 Ų47.351%0.50525%0.245SC..THydrogen-bonded Turntrans49-125.3-176.200000111.9V186 R187G184-V186 PolarHBondContact O-N 3.02Å; G184-R187 WeakPolarHBondContact O-CG 3.14Å; G184-R187 PolarHBondContact O-N 3.07Å
185P91.3Very high93.8Very high114 Ų11450.2 Ų50.274%0.7426%0.259SS*.THydrogen-bonded Turntrans-68.9-19.2-178.329.4-34.7000114R187P185-R187 PolarHBondContact O-N 3.15Å
186V93.7Very high93.4Very high12 Ų1256.8 Ų56.87%0.07329%0.287CS..Hα-helixtrans-73.9-10.9-177.5-171.30000111.7A151 N152 L155 L183 G184 D188 D189 L190A151-V186 HydrophobicContact CB-CG1 4.18Å; N152-V186 HydrophobicContact CB-CG1 4.39Å; N152-V186 HydrophobicContact CB-CG2 4.32Å; L155-V186 HydrophobicContact CD1-CG1 3.94Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.24Å; G184-V186 PolarHBondContact O-N 3.02Å; V186-D188 VanDerWaalsContact C-N 3.34Å; V186-D188 PolarHBondContact O-N 3.44Å; V186-D189 PolarHBondContact O-N 3.19Å; V186-L190 WeakPolarHBondContact O-CB 3.44Å; V186-L190 PolarHBondContact O-N 3.27Å
187R93.7Very high93Very high124 Ų12457.5 Ų57.547%0.46829%0.289SS..Hα-helixtrans-60.5-41.1-178.779.8-173.7-174.3177.7-1.4112.5L183 G184 P185 L190 F191 W230L183-R187 HydrophobicContact CB-CB 4.23Å; G184-R187 WeakPolarHBondContact O-CG 3.14Å; G184-R187 PolarHBondContact O-N 3.07Å; P185-R187 PolarHBondContact O-N 3.15Å; R187-L190 WeakPolarHBondContact O-CB 3.4Å; R187-L190 PolarHBondContact O-N 2.87Å; R187-F191 PolarHBondContact O-N 2.81Å; R187-W230 HydrophobicContact CB-CH2 3.74Å; R187-W230 HydrophobicContact CB-CZ2 4.2Å; R187-W230 HydrophobicContact CB-CZ3 3.99Å; R187-W230 HydrophobicContact CG-CH2 4.32Å; R187-W230 HydrophobicContact CG-CZ3 4.05Å; R187-W230 WeakPolarHBondContact O-CH2 3Å
188D92Very high92.4Very high60 Ų6058.8 Ų58.832%0.32130%0.297SS..Hα-helixtrans-72.8-38-176.9-62.1-9.6000109.5V186 L190 F191 Q192V186-D188 VanDerWaalsContact C-N 3.34Å; V186-D188 PolarHBondContact O-N 3.44Å; D188-L190 VanDerWaalsContact C-N 3.32Å; D188-L190 PolarHBondContact O-N 3.35Å; D188-F191 PolarHBondContact O-N 3.1Å; D188-Q192 WeakPolarHBondContact O-CG 3.38Å; D188-Q192 PolarHBondContact O-N 3.2Å
189D94.1Very high91.8Very high85 Ų8560.2 Ų60.246%0.45531%0.306SS..Hα-helixtrans-63.4-38.1172.9-62.6-28.5000111.5L155 V186 F193L155-D189 HydrophobicContact CD1-CB 4.21Å; V186-D189 PolarHBondContact O-N 3.19Å; D189-F193 VanDerWaalsContact O-CB 3.29Å; D189-F193 WeakPolarHBondContact O-CB 3.33Å; D189-F193 PolarHBondContact O-N 3.15Å
190L94.9Very high91.4Very high5 Ų555.4 Ų55.43%0.02628%0.284CS..Hα-helixtrans-63-46.2174.7-178.965.8000111L155 L177 A178 L183 V186 R187 D188 F193 M194L155-L190 HydrophobicContact CD2-CD1 4.05Å; L177-L190 HydrophobicContact CB-CD2 3.91Å; L177-L190 HydrophobicContact CD1-CD1 4.44Å; A178-L190 HydrophobicContact CB-CD2 4.23Å; L183-L190 HydrophobicContact CD1-CD2 3.4Å; V186-L190 WeakPolarHBondContact O-CB 3.44Å; V186-L190 PolarHBondContact O-N 3.27Å; R187-L190 WeakPolarHBondContact O-CB 3.4Å; R187-L190 PolarHBondContact O-N 2.87Å; D188-L190 VanDerWaalsContact C-N 3.32Å; D188-L190 PolarHBondContact O-N 3.35Å; L190-F193 PolarHBondContact O-N 3.16Å; L190-M194 HydrophobicContact CD1-CE 3.57Å; L190-M194 HydrophobicContact CD1-CG 4.49Å; L190-M194 VanDerWaalsContact O-CG 3.24Å; L190-M194 WeakPolarHBondContact O-CG 3.09Å; L190-M194 PolarHBondContact O-N 2.72Å; L190-M194 VanDerWaalsContact O-N 3.16Å
191F94Very high90.9Very high11 Ų1159 Ų595%0.04831%0.31CS..Hα-helixtrans-61.6-49.2177.2175.1-100.7000111.4R187 D188 F193 M194 E195 L225 L231 H234 V235R187-F191 PolarHBondContact O-N 2.81Å; D188-F191 PolarHBondContact O-N 3.1Å; F191-F193 VanDerWaalsContact C-N 3.31Å; F191-F193 PolarHBondContact O-N 3.45Å; F191-M194 PolarHBondContact O-N 3.24Å; F191-M194 VanDerWaalsContact O-N 3.1Å; F191-E195 HydrophobicContact CE1-CB 4.06Å; F191-E195 VanDerWaalsContact CE1-CD 3.47Å; F191-E195 HydrophobicContact CE1-CG 4.29Å; F191-E195 WeakPolarHBondContact CE1-OE2 3.41Å; F191-E195 HydrophobicContact CE2-CB 4.5Å; F191-E195 HydrophobicContact CZ-CB 4.04Å; F191-E195 HydrophobicContact CZ-CG 4.16Å; F191-E195 WeakPolarHBondContact O-CB 3.17Å; F191-E195 PolarHBondContact O-N 3.49Å; F191-L225 HydrophobicContact CD2-CD2 3.99Å; F191-L225 HydrophobicContact CE2-CD2 3.79Å; F191-L231 HydrophobicContact CB-CD2 4.09Å; F191-L231 HydrophobicContact CD2-CD2 3.62Å; F191-L231 HydrophobicContact CG-CD2 4.22Å; F191-H234 HydrophobicContact CD1-CB 3.89Å; F191-H234 HydrophobicContact CD2-CB 4.12Å; F191-H234 HydrophobicContact CE1-CB 3.53Å; F191-H234 HydrophobicContact CE2-CB 3.73Å; F191-H234 HydrophobicContact CG-CB 4.18Å; F191-H234 HydrophobicContact CZ-CB 3.43Å; F191-H234 VanDerWaalsContact CZ-CB 3.43Å; F191-V235 HydrophobicContact CE2-CG2 4.13Å
192Q92.5Very high90.5Very high122 Ų12260.7 Ų60.757%0.5732%0.316SS*.Hα-helixtrans-59.8-40.6179.5-71.9178.21800112.4D188 M194 F196D188-Q192 WeakPolarHBondContact O-CG 3.38Å; D188-Q192 PolarHBondContact O-N 3.2Å; Q192-M194 VanDerWaalsContact C-N 3.31Å; Q192-M194 PolarHBondContact O-N 3.26Å; Q192-F196 WeakPolarHBondContact O-CB 3.19Å; Q192-F196 PolarHBondContact O-N 2.84Å; Q192-F196 VanDerWaalsContact O-N 3.09Å
193F93.1Very high90.2Very high30 Ų3062.3 Ų62.313%0.13232%0.321CS..Hα-helixtrans-60.7-40.5176176.4-89000112L155 A158 D189 L190 F191 Y197L155-F193 HydrophobicContact CD2-CB 3.74Å; L155-F193 HydrophobicContact CD2-CD1 3.64Å; L155-F193 HydrophobicContact CD2-CD2 3.83Å; L155-F193 HydrophobicContact CD2-CE1 4.16Å; L155-F193 HydrophobicContact CD2-CE2 4.34Å; L155-F193 HydrophobicContact CD2-CG 3.44Å; L155-F193 VanDerWaalsContact CD2-CG 3.44Å; L155-F193 HydrophobicContact CD2-CZ 4.49Å; A158-F193 HydrophobicContact CB-CE2 4.37Å; A158-F193 HydrophobicContact CB-CZ 3.95Å; D189-F193 VanDerWaalsContact O-CB 3.29Å; D189-F193 WeakPolarHBondContact O-CB 3.33Å; D189-F193 PolarHBondContact O-N 3.15Å; L190-F193 PolarHBondContact O-N 3.16Å; F191-F193 VanDerWaalsContact C-N 3.31Å; F191-F193 PolarHBondContact O-N 3.45Å; F193-Y197 HydrophobicContact CD1-CE2 4.42Å; F193-Y197 AromaticContact CE1-CE2 3.98Å; F193-Y197 HydrophobicContact CE1-CE2 3.98Å; F193-Y197 HydrophobicContact CZ-CE2 4.03Å; F193-Y197 VanDerWaalsContact O-CD2 3.29Å; F193-Y197 WeakPolarHBondContact O-CD2 3.45Å; F193-Y197 WeakPolarHBondContact O-CE2 3.1Å
194M92.5Very high89.6Confident7 Ų764.9 Ų64.93%0.03434%0.338CS..Hα-helixtrans-76.6-44.7-179.7-60.2-64.9167.900111.4F171 L190 F191 Q192 F196 Y197 L221 C224 L225F171-M194 HydrophobicContact CD1-SD 3.81Å; F171-M194 HydrophobicContact CE1-SD 4.32Å; L190-M194 HydrophobicContact CD1-CE 3.57Å; L190-M194 HydrophobicContact CD1-CG 4.49Å; L190-M194 VanDerWaalsContact O-CG 3.24Å; L190-M194 WeakPolarHBondContact O-CG 3.09Å; L190-M194 PolarHBondContact O-N 2.72Å; L190-M194 VanDerWaalsContact O-N 3.16Å; F191-M194 PolarHBondContact O-N 3.24Å; F191-M194 VanDerWaalsContact O-N 3.1Å; Q192-M194 VanDerWaalsContact C-N 3.31Å; Q192-M194 PolarHBondContact O-N 3.26Å; M194-F196 PolarHBondContact O-N 2.99Å; M194-Y197 PolarHBondContact O-N 2.8Å; M194-Y197 VanDerWaalsContact O-N 3.09Å; M194-L221 HydrophobicContact CB-CD1 4.12Å; M194-L221 WeakPolarHBondContact O-CD1 3.39Å; M194-C224 VanDerWaalsContact CG-SG 3.58Å; M194-C224 VanDerWaalsContact SD-SG 3.64Å; M194-L225 HydrophobicContact CB-CD2 3.8Å
195E89.4Confident89.1Confident61 Ų6166.1 Ų66.129%0.28534%0.339SS..Hα-helixtrans-58.8-32.7178.9-174.6178.4-138.300111.9F191 Y197 S198 S238F191-E195 HydrophobicContact CE1-CB 4.06Å; F191-E195 VanDerWaalsContact CE1-CD 3.47Å; F191-E195 HydrophobicContact CE1-CG 4.29Å; F191-E195 WeakPolarHBondContact CE1-OE2 3.41Å; F191-E195 HydrophobicContact CE2-CB 4.5Å; F191-E195 HydrophobicContact CZ-CB 4.04Å; F191-E195 HydrophobicContact CZ-CG 4.16Å; F191-E195 WeakPolarHBondContact O-CB 3.17Å; F191-E195 PolarHBondContact O-N 3.49Å; E195-Y197 PolarHBondContact O-N 3.49Å; E195-Y197 VanDerWaalsContact O-N 3.07Å; E195-S198 WeakPolarHBondContact O-CB 3.34Å; E195-S198 PolarHBondContact O-N 3.41Å; E195-S238 WeakPolarHBondContact OE1-CB 3.4Å; E195-S238 PolarHBondContact OE1-OG 2.64Å
196F89.3Confident88.5Confident171 Ų17167.3 Ų67.375%0.7535%0.35SS*.THydrogen-bonded Turntrans-55.9-26.2176.6-177.6-99.9000114.1Q192 M194 S198Q192-F196 WeakPolarHBondContact O-CB 3.19Å; Q192-F196 PolarHBondContact O-N 2.84Å; Q192-F196 VanDerWaalsContact O-N 3.09Å; M194-F196 PolarHBondContact O-N 2.99Å; F196-S198 VanDerWaalsContact C-N 3.33Å
197Y90.1Very high87.8Confident32 Ų3275.7 Ų75.713%0.12538%0.382CS..THydrogen-bonded Turntrans-83.3-7.6176.5-68.2-79.1000113.6E161 L167 F171 F193 M194 E195 P199 I200E161-Y197 WeakPolarHBondContact O-CE1 3.48Å; E161-Y197 PolarHBondContact O-OH 3.28Å; L167-Y197 HydrophobicContact CD1-CD1 4.28Å; L167-Y197 HydrophobicContact CD1-CE1 4.13Å; L167-Y197 HydrophobicContact CD2-CD1 3.98Å; L167-Y197 HydrophobicContact CD2-CE1 3.36Å; L167-Y197 HydrophobicContact CD2-CE2 4.19Å; L167-Y197 VanDerWaalsContact CD2-CZ 3.46Å; L167-Y197 HydrophobicContact CG-CE1 4.4Å; F171-Y197 AromaticContact CE1-CD2 3.82Å; F171-Y197 HydrophobicContact CE1-CD2 3.82Å; F171-Y197 HydrophobicContact CE1-CE2 4.43Å; F171-Y197 AromaticContact CE1-CG 4Å; F171-Y197 HydrophobicContact CE1-CG 4Å; F171-Y197 HydrophobicContact CZ-CD1 4.46Å; F171-Y197 HydrophobicContact CZ-CD2 4.25Å; F171-Y197 AromaticContact CZ-CG 3.94Å; F171-Y197 HydrophobicContact CZ-CG 3.94Å; F193-Y197 HydrophobicContact CD1-CE2 4.42Å; F193-Y197 AromaticContact CE1-CE2 3.98Å; F193-Y197 HydrophobicContact CE1-CE2 3.98Å; F193-Y197 HydrophobicContact CZ-CE2 4.03Å; F193-Y197 VanDerWaalsContact O-CD2 3.29Å; F193-Y197 WeakPolarHBondContact O-CD2 3.45Å; F193-Y197 WeakPolarHBondContact O-CE2 3.1Å; M194-Y197 PolarHBondContact O-N 2.8Å; M194-Y197 VanDerWaalsContact O-N 3.09Å; E195-Y197 PolarHBondContact O-N 3.49Å; E195-Y197 VanDerWaalsContact O-N 3.07Å; Y197-P199 CarbonylContact O-C 3.51Å; Y197-I200 VanDerWaalsContact O-CD1 3.28Å; Y197-I200 WeakPolarHBondContact O-CD1 3.49Å
198S84.3Confident87Confident27 Ų2771.8 Ų71.819%0.18937%0.37CS..  trans-91.4136175.7-170.30000111.3E195 F196 Y242E195-S198 WeakPolarHBondContact O-CB 3.34Å; E195-S198 PolarHBondContact O-N 3.41Å; F196-S198 VanDerWaalsContact C-N 3.33Å; S198-Y242 PolarHBondContact OG-OH 3.21Å
199P83.4Confident86.1Confident37 Ų3773.5 Ų73.524%0.2439%0.385CS..SBendcis-76.8149.6-6.931.3-34.4000112.3Y197 T201 E251 D254Y197-P199 CarbonylContact O-C 3.51Å; P199-T201 PolarHBondContact O-N 2.94Å; P199-T201 VanDerWaalsContact O-N 3.14Å; P199-E251 HydrophobicContact CG-CG 4.21Å; P199-D254 WeakPolarHBondContact CB-OD2 3.28Å
200I87.1Confident85.3Confident11 Ų1172.8 Ų72.86%0.05639%0.386CS..  trans-72.8111.6-180-63.7-72.3000109.5F171 Y197 R214 L217 E218 L221F171-I200 HydrophobicContact CE2-CD1 4.42Å; F171-I200 HydrophobicContact CZ-CD1 4.42Å; Y197-I200 VanDerWaalsContact O-CD1 3.28Å; Y197-I200 WeakPolarHBondContact O-CD1 3.49Å; I200-R214 HydrophobicContact CG2-CG 3.76Å; I200-R214 PolarHBondContact O-NE 2.92Å; I200-R214 PolarHBondContact O-NH2 3.12Å; I200-L217 HydrophobicContact CD1-CB 4.15Å; I200-L217 HydrophobicContact CG1-CB 4.4Å; I200-L217 HydrophobicContact CG2-CB 3.94Å; I200-L217 HydrophobicContact CG2-CD1 4.23Å; I200-E218 HydrophobicContact CG1-CB 4.32Å; I200-L221 HydrophobicContact CD1-CD2 3.95Å; I200-L221 HydrophobicContact CG1-CD2 4.1Å
201T84.4Confident84.8Confident119 Ų11974.6 Ų74.673%0.7341%0.405SS*.  trans-10111.9178.856.30000114P199 K203P199-T201 PolarHBondContact O-N 2.94Å; P199-T201 VanDerWaalsContact O-N 3.14Å; T201-K203 PolarHBondContact O-N 3.42Å
202Y85.6Confident84.7Confident53 Ų5375.1 Ų75.121%0.20841%0.408CS..  trans-58.7131.3-178.2178.8-111.8000112.4P164 P204 L217P164-Y202 HydrophobicContact CB-CE1 4.38Å; P164-Y202 HydrophobicContact CB-CE2 4.1Å; P164-Y202 HydrophobicContact CG-CE2 3.8Å; Y202-P204 HydrophobicContact CE1-CB 3.77Å; Y202-P204 HydrophobicContact CE1-CG 4.24Å; Y202-L217 HydrophobicContact CD1-CD1 3.6Å; Y202-L217 HydrophobicContact CD2-CD1 4.32Å; Y202-L217 HydrophobicContact CE1-CD1 4.33Å; Y202-L217 HydrophobicContact CG-CD1 3.59Å
203K86.1Confident84.6Confident170 Ų17071.5 Ų71.574%0.73940%0.395SS*.  trans-121.2108.2171.7-68.1-178.8-176.4175.90108.1T201 S205T201-K203 PolarHBondContact O-N 3.42Å; K203-S205 PolarHBondContact O-N 2.97Å
204P79.7Confident84.6Confident62 Ų6271.4 Ų71.440%0.40339%0.393SS..  trans-59.5137-179.420.8-29.4000110.9Y202 N208Y202-P204 HydrophobicContact CE1-CB 3.77Å; Y202-P204 HydrophobicContact CE1-CG 4.24Å; P204-N208 HydrophobicContact CB-CB 4.37Å
205S79.5Confident84.6Confident75 Ų7575.9 Ų75.952%0.52441%0.414SS..  trans-66.1156.9171.746.80000110.7K203 Y207 N208K203-S205 PolarHBondContact O-N 2.97Å; S205-Y207 CarbonylContact O-C 3.37Å; S205-Y207 PolarHBondContact O-N 3.17Å; S205-Y207 VanDerWaalsContact O-N 3.14Å; S205-Y207 PolarHBondContact OG-O 3.45Å; S205-N208 WeakPolarHBondContact O-CB 3.36Å
206S78.8Confident84.8Confident139 Ų13976.4 Ų76.497%0.97242%0.419SS*.SBendtrans-55.9-29.7172.850.10000112.8
207Y78.7Confident85Confident188 Ų18868.3 Ų68.374%0.73738%0.383SS*.  trans-94.388167.7-171.2-105.2000110.2S205 P209S205-Y207 CarbonylContact O-C 3.37Å; S205-Y207 PolarHBondContact O-N 3.17Å; S205-Y207 VanDerWaalsContact O-N 3.14Å; S205-Y207 PolarHBondContact OG-O 3.45Å; Y207-P209 HydrophobicContact CD1-CG 4.48Å; Y207-P209 HydrophobicContact CE1-CG 4.06Å
208N78.3Confident85.2Confident43 Ų4367.3 Ų67.323%0.2338%0.38CS..  trans-121.674.9176.6-178.112.3000110.7P204 S205 C210 G211 I212P204-N208 HydrophobicContact CB-CB 4.37Å; S205-N208 WeakPolarHBondContact O-CB 3.36Å; N208-C210 PolarHBondContact O-N 3.32Å; N208-C210 VanDerWaalsContact O-N 3.13Å; N208-G211 PolarHBondContact O-N 3.32Å; N208-G211 PolarHBondContact OD1-N 2.96Å; N208-I212 PolarHBondContact ND2-N 3.02Å; N208-I212 PolarHBondContact ND2-O 3.07Å
209P71.8Confident85.7Confident96 Ų9669.8 Ų69.862%0.62339%0.394SS*.THydrogen-bonded Turntrans-64.7-19.5-172.325.3-34.5000114.3Y207Y207-P209 HydrophobicContact CD1-CG 4.48Å; Y207-P209 HydrophobicContact CE1-CG 4.06Å
210C78Confident86.3Confident70 Ų7068.9 Ų68.947%0.47339%0.388SS..THydrogen-bonded Turntrans-91.4-8177.1-63.30000113.3R165 N208 I212R165-C210 WeakPolarHBondContact CD-SG 3.46Å; R165-C210 HydrophobicContact CG-CB 4.45Å; N208-C210 PolarHBondContact O-N 3.32Å; N208-C210 VanDerWaalsContact O-N 3.13Å; C210-I212 HydrophobicContact CB-CD1 4.46Å; C210-I212 HydrophobicContact CB-CG1 4.2Å; C210-I212 PolarHBondContact O-N 2.9Å
211G85.1Confident86.7Confident42 Ų4268.4 Ų68.443%0.43339%0.386SS..  trans64.715.7179.400000115.3N208 T213N208-G211 PolarHBondContact O-N 3.32Å; N208-G211 PolarHBondContact OD1-N 2.96Å; G211-T213 PolarHBondContact O-N 3.35Å
212I90.6Very high87.2Confident22 Ų2263.1 Ų63.111%0.11335%0.353CS..  trans-68.3120.7178.8-61177.5000108.5P164 R165 I168 N208 C210 N216 L217P164-I212 HydrophobicContact CB-CB 4.48Å; P164-I212 HydrophobicContact CB-CD1 4.36Å; P164-I212 HydrophobicContact CB-CG2 4.03Å; R165-I212 HydrophobicContact CB-CD1 4.04Å; R165-I212 HydrophobicContact CG-CD1 3.6Å; I168-I212 HydrophobicContact CG1-CD1 4.18Å; I168-I212 HydrophobicContact CG1-CG2 4.27Å; N208-I212 PolarHBondContact ND2-N 3.02Å; N208-I212 PolarHBondContact ND2-O 3.07Å; C210-I212 HydrophobicContact CB-CD1 4.46Å; C210-I212 HydrophobicContact CB-CG1 4.2Å; C210-I212 PolarHBondContact O-N 2.9Å; I212-N216 HydrophobicContact CG2-CB 4.23Å; I212-L217 HydrophobicContact CG2-CD2 4.49Å; I212-L217 HydrophobicContact CG2-CG 4.11Å
213T91.9Very high87.7Confident47 Ų4763.2 Ų63.229%0.28836%0.357SS..  trans-96.6173.1177.578.10000111.6G211 E215 N216 L217G211-T213 PolarHBondContact O-N 3.35Å; T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 WeakPolarHBondContact CB-OE2 3.33Å; T213-E215 PolarHBondContact OG1-N 3.34Å; T213-E215 PolarHBondContact OG1-OE2 2.9Å; T213-N216 PolarHBondContact N-OD1 3.44Å; T213-N216 PolarHBondContact O-N 3.11Å; T213-N216 PolarHBondContact OG1-N 3.4Å; T213-N216 PolarHBondContact OG1-OD1 3.36Å; T213-L217 PolarHBondContact O-N 3.21Å
214R92Very high88.2Confident28 Ų2855.3 Ų55.311%0.10632%0.323CS..Hα-helixtrans-59.9-43.4172.2-175.5-158.3178.1-144-7.2110.3I200 N216 L217 E218 D254I200-R214 HydrophobicContact CG2-CG 3.76Å; I200-R214 PolarHBondContact O-NE 2.92Å; I200-R214 PolarHBondContact O-NH2 3.12Å; R214-N216 VanDerWaalsContact C-N 3.3Å; R214-N216 PolarHBondContact O-N 3.26Å; R214-L217 WeakPolarHBondContact O-CB 3.34Å; R214-L217 PolarHBondContact O-N 3.48Å; R214-L217 VanDerWaalsContact O-N 3.13Å; R214-E218 PolarHBondContact O-N 3.44Å; R214-D254 IonicContact CZ-OD1 3.47Å; R214-D254 IonicContact CZ-OD2 3.29Å; R214-D254 IonicContact NH1-OD1 3.36Å; R214-D254 IonicContact NH2-OD1 3.47Å; R214-D254 PolarHBondContact NH2-OD1 3.2Å; R214-D254 IonicContact NH2-OD2 2.76Å; R214-D254 PolarHBondContact NH2-OD2 2.98Å
215E91.9Very high89Confident101 Ų10152.7 Ų52.747%0.47231%0.306SS..Hα-helixtrans-65.3-33-177.5-56.870.7-150.900111.3T213 T219T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 WeakPolarHBondContact CB-OE2 3.33Å; T213-E215 PolarHBondContact OG1-N 3.34Å; T213-E215 PolarHBondContact OG1-OE2 2.9Å; E215-T219 VanDerWaalsContact O-CB 3.28Å; E215-T219 WeakPolarHBondContact O-CB 3.15Å; E215-T219 PolarHBondContact O-N 3.31Å; E215-T219 PolarHBondContact O-OG1 3.17Å
216N93.5Very high89.8Confident71 Ų7149.1 Ų49.138%0.3828%0.281SS..Hα-helixtrans-65.4-40.7173.6-61.8148.7000112.4I168 I212 T213 R214 S220I168-N216 HydrophobicContact CD1-CB 4.33Å; I168-N216 WeakPolarHBondContact CD1-O 3.38Å; I212-N216 HydrophobicContact CG2-CB 4.23Å; T213-N216 PolarHBondContact N-OD1 3.44Å; T213-N216 PolarHBondContact O-N 3.11Å; T213-N216 PolarHBondContact OG1-N 3.4Å; T213-N216 PolarHBondContact OG1-OD1 3.36Å; R214-N216 VanDerWaalsContact C-N 3.3Å; R214-N216 PolarHBondContact O-N 3.26Å; N216-S220 WeakPolarHBondContact O-CB 3.19Å; N216-S220 PolarHBondContact O-N 3.44Å; N216-S220 VanDerWaalsContact O-N 3.1Å; N216-S220 PolarHBondContact O-OG 3.28Å
217L94.3Very high90.6Very high2 Ų243 Ų431%0.0124%0.238CC..Hα-helixtrans-68.5-45.7176.6-72.9169.5000111P164 L167 I168 F171 I200 Y202 I212 T213 R214 S220 L221P164-L217 HydrophobicContact CB-CD1 4.12Å; P164-L217 HydrophobicContact CB-CD2 4.32Å; L167-L217 HydrophobicContact CB-CD2 3.8Å; L167-L217 HydrophobicContact CD1-CD2 4.47Å; I168-L217 HydrophobicContact CD1-CD2 3.79Å; I168-L217 HydrophobicContact CD1-CG 4.32Å; I168-L217 HydrophobicContact CG1-CD2 3.87Å; F171-L217 HydrophobicContact CE2-CD2 4.12Å; I200-L217 HydrophobicContact CD1-CB 4.15Å; I200-L217 HydrophobicContact CG1-CB 4.4Å; I200-L217 HydrophobicContact CG2-CB 3.94Å; I200-L217 HydrophobicContact CG2-CD1 4.23Å; Y202-L217 HydrophobicContact CD1-CD1 3.6Å; Y202-L217 HydrophobicContact CD2-CD1 4.32Å; Y202-L217 HydrophobicContact CE1-CD1 4.33Å; Y202-L217 HydrophobicContact CG-CD1 3.59Å; I212-L217 HydrophobicContact CG2-CD2 4.49Å; I212-L217 HydrophobicContact CG2-CG 4.11Å; T213-L217 PolarHBondContact O-N 3.21Å; R214-L217 WeakPolarHBondContact O-CB 3.34Å; R214-L217 PolarHBondContact O-N 3.48Å; R214-L217 VanDerWaalsContact O-N 3.13Å; L217-S220 PolarHBondContact O-N 3.45Å; L217-L221 WeakPolarHBondContact O-CB 3.27Å; L217-L221 PolarHBondContact O-N 2.96Å
218E93.6Very high91.4Very high10 Ų1035.8 Ų35.85%0.04722%0.216CC..Hα-helixtrans-59.3-49.8177.3-173.8-170.1165.100111.6I200 R214 S220 L221 N222 D254 N257I200-E218 HydrophobicContact CG1-CB 4.32Å; R214-E218 PolarHBondContact O-N 3.44Å; E218-S220 VanDerWaalsContact C-N 3.31Å; E218-S220 PolarHBondContact O-N 3.2Å; E218-L221 PolarHBondContact O-N 3Å; E218-N222 WeakPolarHBondContact O-CB 3.36Å; E218-N222 VanDerWaalsContact O-CG 3.25Å; E218-N222 PolarHBondContact O-N 2.97Å; E218-D254 WeakPolarHBondContact OE1-CA 3.28Å; E218-N257 WeakPolarHBondContact OE1-CB 3.36Å; E218-N257 PolarHBondContact OE1-ND2 2.92Å
219T95.1Very high92.1Very high79 Ų7936.2 Ų36.249%0.48522%0.218SC..Hα-helixtrans-59-44.6177-57.60000111E215 L221 N222 L223E215-T219 VanDerWaalsContact O-CB 3.28Å; E215-T219 WeakPolarHBondContact O-CB 3.15Å; E215-T219 PolarHBondContact O-N 3.31Å; E215-T219 PolarHBondContact O-OG1 3.17Å; T219-L221 PolarHBondContact O-N 2.9Å; T219-N222 PolarHBondContact O-N 3.35Å; T219-L223 HydrophobicContact CG2-CD1 4.22Å; T219-L223 VanDerWaalsContact O-CG 3.24Å; T219-L223 WeakPolarHBondContact O-CG 3.26Å; T219-L223 PolarHBondContact O-N 3.05Å
220S95.5Very high93.2Very high18 Ų1835.1 Ų35.113%0.12620%0.201CC..Hα-helixtrans-66-38.9179.3-60.10000112.3I168 N216 L217 E218 C224I168-S220 VanDerWaalsContact CD1-OG 3.25Å; I168-S220 WeakPolarHBondContact CD1-OG 3.3Å; N216-S220 WeakPolarHBondContact O-CB 3.19Å; N216-S220 PolarHBondContact O-N 3.44Å; N216-S220 VanDerWaalsContact O-N 3.1Å; N216-S220 PolarHBondContact O-OG 3.28Å; L217-S220 PolarHBondContact O-N 3.45Å; E218-S220 VanDerWaalsContact C-N 3.31Å; E218-S220 PolarHBondContact O-N 3.2Å; S220-C224 PolarHBondContact O-N 2.92Å
221L95.9Very high94Very high2 Ų232 Ų321%0.0118%0.18CC..Hα-helixtrans-65.9-44.5175179.259000111.1F171 M194 I200 L217 E218 T219 L223 C224 L225F171-L221 HydrophobicContact CD1-CD1 4.11Å; F171-L221 HydrophobicContact CD2-CB 4.08Å; F171-L221 HydrophobicContact CE1-CD1 3.89Å; F171-L221 HydrophobicContact CE2-CB 3.93Å; F171-L221 HydrophobicContact CG-CB 4.49Å; F171-L221 HydrophobicContact CZ-CB 4.23Å; F171-L221 HydrophobicContact CZ-CD1 4.18Å; M194-L221 HydrophobicContact CB-CD1 4.12Å; M194-L221 WeakPolarHBondContact O-CD1 3.39Å; I200-L221 HydrophobicContact CD1-CD2 3.95Å; I200-L221 HydrophobicContact CG1-CD2 4.1Å; L217-L221 WeakPolarHBondContact O-CB 3.27Å; L217-L221 PolarHBondContact O-N 2.96Å; E218-L221 PolarHBondContact O-N 3Å; T219-L221 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.45Å; L221-C224 WeakPolarHBondContact O-CB 3.38Å; L221-C224 PolarHBondContact O-N 3.47Å; L221-C224 VanDerWaalsContact O-N 3.11Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 4.44Å; L221-L225 HydrophobicContact CD1-CG 3.96Å; L221-L225 HydrophobicContact CD2-CD1 4.41Å; L221-L225 HydrophobicContact CG-CD1 3.85Å; L221-L225 HydrophobicContact CG-CG 4.22Å; L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.44Å
222N95.6Very high94.5Very high7 Ų730 Ų304%0.03716%0.16CC..Hα-helixtrans-60.9-42177.8-70.6-11.6000111.6E218 T219 C224 L225 T226 L258 T261E218-N222 WeakPolarHBondContact O-CB 3.36Å; E218-N222 VanDerWaalsContact O-CG 3.25Å; E218-N222 PolarHBondContact O-N 2.97Å; T219-N222 PolarHBondContact O-N 3.35Å; N222-C224 VanDerWaalsContact C-N 3.29Å; N222-C224 PolarHBondContact O-N 3.49Å; N222-L225 PolarHBondContact O-N 3.14Å; N222-T226 WeakPolarHBondContact O-CB 3.14Å; N222-T226 WeakPolarHBondContact O-CG2 3.35Å; N222-T226 PolarHBondContact O-N 3.11Å; N222-T226 PolarHBondContact O-OG1 3.44Å; N222-L258 HydrophobicContact CB-CD1 4.26Å; N222-L258 WeakPolarHBondContact OD1-CD1 3.48Å; N222-T261 HydrophobicContact CB-CG2 4.21Å
223L96.6Very high94.6Very high55 Ų5535.7 Ų35.729%0.28819%0.186SC..Hα-helixtrans-60.9-37.7174.8-67.7169.6000112.2T219 L221 A227T219-L223 HydrophobicContact CG2-CD1 4.22Å; T219-L223 VanDerWaalsContact O-CG 3.24Å; T219-L223 WeakPolarHBondContact O-CG 3.26Å; T219-L223 PolarHBondContact O-N 3.05Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.45Å; L223-A227 PolarHBondContact O-N 3.1Å
224C95.9Very high94.6Very high4 Ų436.5 Ų36.53%0.02719%0.186CC..Hα-helixtrans-68.2-50.1175.1-176.70000112.2F171 G174 E175 M194 S220 L221 N222 T226 A227F171-C224 HydrophobicContact CB-CB 4.37Å; F171-C224 WeakPolarHBondContact O-CB 3.39Å; G174-C224 VanDerWaalsContact C-SG 3.52Å; E175-C224 HydrophobicContact CB-CB 4.41Å; E175-C224 PolarHBondContact N-SG 3.23Å; M194-C224 VanDerWaalsContact CG-SG 3.58Å; M194-C224 VanDerWaalsContact SD-SG 3.64Å; S220-C224 PolarHBondContact O-N 2.92Å; L221-C224 WeakPolarHBondContact O-CB 3.38Å; L221-C224 PolarHBondContact O-N 3.47Å; L221-C224 VanDerWaalsContact O-N 3.11Å; N222-C224 VanDerWaalsContact C-N 3.29Å; N222-C224 PolarHBondContact O-N 3.49Å; C224-T226 PolarHBondContact O-N 3.38Å; C224-A227 WeakPolarHBondContact O-CB 3.45Å; C224-A227 PolarHBondContact O-N 3.06Å
225L95.8Very high94.6Very high7 Ų735.2 Ų35.24%0.03718%0.181CC..Hα-helixtrans-66-18.1-179.3-67175.7000113.3F191 M194 L221 N222 L231 V235 L258F191-L225 HydrophobicContact CD2-CD2 3.99Å; F191-L225 HydrophobicContact CE2-CD2 3.79Å; M194-L225 HydrophobicContact CB-CD2 3.8Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 4.44Å; L221-L225 HydrophobicContact CD1-CG 3.96Å; L221-L225 HydrophobicContact CD2-CD1 4.41Å; L221-L225 HydrophobicContact CG-CD1 3.85Å; L221-L225 HydrophobicContact CG-CG 4.22Å; L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.44Å; N222-L225 PolarHBondContact O-N 3.14Å; L225-L231 WeakPolarHBondContact O-CB 3.46Å; L225-L231 WeakPolarHBondContact O-CD1 3.35Å; L225-V235 HydrophobicContact CB-CG2 4.38Å; L225-V235 WeakPolarHBondContact O-CG2 3.34Å; L225-L258 HydrophobicContact CB-CD1 4.08Å; L225-L258 HydrophobicContact CD1-CD1 4.16Å; L225-L258 HydrophobicContact CD1-CD2 4.44Å
226T96.4Very high94.6Very high1 Ų130.6 Ų30.61%0.00616%0.16CC..THydrogen-bonded Turntrans-116.324.6179.661.80000112N222 C224 S228 L258 T261 A262 R265 F266N222-T226 WeakPolarHBondContact O-CB 3.14Å; N222-T226 WeakPolarHBondContact O-CG2 3.35Å; N222-T226 PolarHBondContact O-N 3.11Å; N222-T226 PolarHBondContact O-OG1 3.44Å; C224-T226 PolarHBondContact O-N 3.38Å; T226-S228 VanDerWaalsContact C-N 3.32Å; T226-S228 PolarHBondContact O-N 3.45Å; T226-L258 HydrophobicContact CG2-CD1 3.99Å; T226-T261 HydrophobicContact CG2-CG2 4.32Å; T226-T261 WeakPolarHBondContact OG1-CG2 3.42Å; T226-A262 HydrophobicContact CG2-CB 3.82Å; T226-R265 WeakPolarHBondContact O-CB 3.38Å; T226-R265 PolarHBondContact O-NE 2.95Å; T226-R265 VanDerWaalsContact OG1-CD 3.31Å; T226-R265 WeakPolarHBondContact OG1-CD 3.25Å; T226-F266 HydrophobicContact CG2-CE2 4.4Å; T226-F266 HydrophobicContact CG2-CZ 4.05Å
227A96.1Very high94.2Very high9 Ų928.6 Ų28.67%0.07416%0.156CC..SBendtrans-69.3-25.9-17500000114.2E175 A178 L223 C224 L231E175-A227 HydrophobicContact CB-CB 4.38Å; E175-A227 HydrophobicContact CG-CB 3.93Å; A178-A227 HydrophobicContact CB-CB 3.81Å; L223-A227 PolarHBondContact O-N 3.1Å; C224-A227 WeakPolarHBondContact O-CB 3.45Å; C224-A227 PolarHBondContact O-N 3.06Å; A227-L231 HydrophobicContact CB-CD1 4.2Å
228S95Very high93.6Very high38 Ų3829.3 Ų29.327%0.26616%0.161SC..SBendtrans-158.3148.9-175.6-172.90000111.9A178 T226 W230 L231 F266A178-S228 WeakPolarHBondContact O-CB 3.26Å; T226-S228 VanDerWaalsContact C-N 3.32Å; T226-S228 PolarHBondContact O-N 3.45Å; S228-W230 VanDerWaalsContact CB-CD1 3.5Å; S228-W230 PolarHBondContact O-N 2.95Å; S228-W230 VanDerWaalsContact O-N 3.12Å; S228-L231 VanDerWaalsContact O-CB 3.31Å; S228-L231 WeakPolarHBondContact O-CB 3.46Å; S228-L231 PolarHBondContact O-N 2.98Å; S228-F266 VanDerWaalsContact O-CE1 3.25Å; S228-F266 WeakPolarHBondContact O-CE1 3.21Å
229D94.6Very high92.9Very high51 Ų5129.1 Ų29.127%0.27316%0.16SC..G310 helixtrans-56.5-28.9-174.8-85.916.5000115.2L231 A232 F266 S267 T270D229-L231 PolarHBondContact O-N 3.49Å; D229-L231 VanDerWaalsContact O-N 3.15Å; D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.26Å; D229-F266 WeakPolarHBondContact OD1-CA 3.05Å; D229-S267 PolarHBondContact OD1-N 3.45Å; D229-S267 WeakPolarHBondContact OD2-CB 3.48Å; D229-S267 PolarHBondContact OD2-N 3.34Å; D229-S267 PolarHBondContact OD2-OG 2.91Å; D229-T270 HydrophobicContact CB-CG2 4.35Å; D229-T270 PolarHBondContact OD2-OG1 2.92Å
230W93.9Very high91.5Very high73 Ų7328.2 Ų28.228%0.27716%0.156SC..G310 helixtrans-64.6-18.8178.770-96.5000112.6A178 R187 S228 A232A178-W230 HydrophobicContact CB-CZ2 4.01Å; A178-W230 PolarHBondContact O-NE1 3.11Å; R187-W230 HydrophobicContact CB-CH2 3.74Å; R187-W230 HydrophobicContact CB-CZ2 4.2Å; R187-W230 HydrophobicContact CB-CZ3 3.99Å; R187-W230 HydrophobicContact CG-CH2 4.32Å; R187-W230 HydrophobicContact CG-CZ3 4.05Å; R187-W230 WeakPolarHBondContact O-CH2 3Å; S228-W230 VanDerWaalsContact CB-CD1 3.5Å; S228-W230 PolarHBondContact O-N 2.95Å; S228-W230 VanDerWaalsContact O-N 3.12Å; W230-A232 VanDerWaalsContact C-N 3.3Å
231L95.3Very high90.1Very high4 Ų432.5 Ų32.52%0.02118%0.182CC..G310 helixtrans-76.9-15174.3-65.7161.9000112.7A178 F191 L225 A227 S228 D229 E233 H234 V235 F266A178-L231 HydrophobicContact CB-CD1 4.14Å; F191-L231 HydrophobicContact CB-CD2 4.09Å; F191-L231 HydrophobicContact CD2-CD2 3.62Å; F191-L231 HydrophobicContact CG-CD2 4.22Å; L225-L231 WeakPolarHBondContact O-CB 3.46Å; L225-L231 WeakPolarHBondContact O-CD1 3.35Å; A227-L231 HydrophobicContact CB-CD1 4.2Å; S228-L231 VanDerWaalsContact O-CB 3.31Å; S228-L231 WeakPolarHBondContact O-CB 3.46Å; S228-L231 PolarHBondContact O-N 2.98Å; D229-L231 PolarHBondContact O-N 3.49Å; D229-L231 VanDerWaalsContact O-N 3.15Å; L231-E233 PolarHBondContact O-N 3.36Å; L231-H234 WeakPolarHBondContact O-CB 3.29Å; L231-H234 PolarHBondContact O-N 3.49Å; L231-H234 VanDerWaalsContact O-N 3.16Å; L231-V235 WeakPolarHBondContact O-CG2 3.45Å; L231-V235 PolarHBondContact O-N 3.44Å; L231-F266 HydrophobicContact CB-CE1 4.18Å; L231-F266 HydrophobicContact CB-CZ 4.15Å
232A94.3Very high88.5Confident1 Ų134 Ų341%0.00819%0.188CC..Hα-helixtrans-63.7-40.2-171.200000113.8D229 W230 H234 V235 F236 F266 T270D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.26Å; W230-A232 VanDerWaalsContact C-N 3.3Å; A232-H234 VanDerWaalsContact C-N 3.26Å; A232-H234 PolarHBondContact O-N 2.99Å; A232-V235 PolarHBondContact O-N 3.33Å; A232-F236 HydrophobicContact CB-CD2 4.03Å; A232-F236 HydrophobicContact CB-CE2 3.96Å; A232-F236 WeakPolarHBondContact O-CB 3.39Å; A232-F236 WeakPolarHBondContact O-CD2 3.49Å; A232-F236 PolarHBondContact O-N 3.09Å; A232-F266 HydrophobicContact CB-CD1 4.37Å; A232-F266 HydrophobicContact CB-CD2 3.7Å; A232-F266 HydrophobicContact CB-CE1 4.34Å; A232-F266 HydrophobicContact CB-CE2 3.66Å; A232-F266 HydrophobicContact CB-CG 4.07Å; A232-F266 HydrophobicContact CB-CZ 4Å; A232-T270 HydrophobicContact CB-CG2 3.26Å
233E92.7Very high86.7Confident141 Ų14137.5 Ų37.566%0.65921%0.209SC*.Hα-helixtrans-60.9-39.8176.8-177.6171.9-172.600111.1L231 G237L231-E233 PolarHBondContact O-N 3.36Å; E233-G237 WeakPolarHBondContact O-CA 3.38Å; E233-G237 PolarHBondContact O-N 3.3Å
234H92Very high84.8Confident64 Ų6438.9 Ų38.930%0.29622%0.217SC..Hα-helixtrans-69.3-49.5177.3-62-78.3000111.7F191 L231 A232 G237 S238F191-H234 HydrophobicContact CD1-CB 3.89Å; F191-H234 HydrophobicContact CD2-CB 4.12Å; F191-H234 HydrophobicContact CE1-CB 3.53Å; F191-H234 HydrophobicContact CE2-CB 3.73Å; F191-H234 HydrophobicContact CG-CB 4.18Å; F191-H234 HydrophobicContact CZ-CB 3.43Å; F191-H234 VanDerWaalsContact CZ-CB 3.43Å; L231-H234 WeakPolarHBondContact O-CB 3.29Å; L231-H234 PolarHBondContact O-N 3.49Å; L231-H234 VanDerWaalsContact O-N 3.16Å; A232-H234 VanDerWaalsContact C-N 3.26Å; A232-H234 PolarHBondContact O-N 2.99Å; H234-G237 PolarHBondContact O-N 3.26Å; H234-S238 WeakPolarHBondContact O-CB 3.31Å; H234-S238 PolarHBondContact O-N 3.31Å; H234-S238 PolarHBondContact O-OG 3.13Å
235V92.9Very high82.9Confident1 Ų144.7 Ų44.71%0.00625%0.254CS..Hα-helixtrans-63-50.7-179.2171.40000111.8F191 L225 L231 A232 G237 S238 M239 L258 A262 F266F191-V235 HydrophobicContact CE2-CG2 4.13Å; L225-V235 HydrophobicContact CB-CG2 4.38Å; L225-V235 WeakPolarHBondContact O-CG2 3.34Å; L231-V235 WeakPolarHBondContact O-CG2 3.45Å; L231-V235 PolarHBondContact O-N 3.44Å; A232-V235 PolarHBondContact O-N 3.33Å; V235-G237 VanDerWaalsContact C-N 3.28Å; V235-G237 PolarHBondContact O-N 2.88Å; V235-S238 PolarHBondContact O-N 3.45Å; V235-S238 PolarHBondContact O-OG 3.01Å; V235-S238 VanDerWaalsContact O-OG 3.1Å; V235-M239 HydrophobicContact CG1-CE 3.65Å; V235-M239 HydrophobicContact CG1-SD 4.35Å; V235-M239 VanDerWaalsContact O-CG 3.28Å; V235-M239 WeakPolarHBondContact O-CG 3.35Å; V235-M239 PolarHBondContact O-N 2.86Å; V235-L258 HydrophobicContact CG1-CD1 4.39Å; V235-L258 HydrophobicContact CG1-CD2 4.16Å; V235-L258 HydrophobicContact CG1-CG 4.14Å; V235-A262 HydrophobicContact CG1-CB 4.33Å; V235-F266 HydrophobicContact CB-CE2 4.21Å; V235-F266 HydrophobicContact CB-CZ 4.31Å; V235-F266 HydrophobicContact CG1-CE2 4.31Å; V235-F266 HydrophobicContact CG2-CZ 4.13Å
236F91.4Very high81.3Confident4 Ų448.7 Ų48.72%0.01828%0.283CS..Hα-helixtrans-73.3-23.1178.7-62.2-51.4000112.6A232 M239 L259 A262 F266 V271 H274 I278A232-F236 HydrophobicContact CB-CD2 4.03Å; A232-F236 HydrophobicContact CB-CE2 3.96Å; A232-F236 WeakPolarHBondContact O-CB 3.39Å; A232-F236 WeakPolarHBondContact O-CD2 3.49Å; A232-F236 PolarHBondContact O-N 3.09Å; F236-M239 HydrophobicContact CD1-SD 3.83Å; F236-M239 HydrophobicContact CE1-SD 4.32Å; F236-L259 HydrophobicContact CD1-CD1 4.34Å; F236-L259 HydrophobicContact CE1-CD1 3.76Å; F236-A262 HydrophobicContact CE1-CB 4.01Å; F236-A262 HydrophobicContact CZ-CB 4.05Å; F236-F266 AromaticContact CE2-CD2 3.7Å; F236-F266 HydrophobicContact CE2-CD2 3.7Å; F236-F266 HydrophobicContact CE2-CE2 4.04Å; F236-F266 AromaticContact CZ-CD2 3.74Å; F236-F266 HydrophobicContact CZ-CD2 3.74Å; F236-F266 HydrophobicContact CZ-CE2 4.1Å; F236-V271 HydrophobicContact CE2-CG2 4.47Å; F236-V271 HydrophobicContact CZ-CG2 4.29Å; F236-H274 HydrophobicContact CB-CB 4.39Å; F236-H274 HydrophobicContact CD2-CB 3.88Å; F236-H274 AromaticContact CD2-CD2 3.52Å; F236-H274 AromaticContact CD2-CG 3.69Å; F236-H274 HydrophobicContact CE2-CB 4.42Å; F236-H274 HydrophobicContact CG-CB 4.23Å; F236-I278 HydrophobicContact CD1-CD1 3.98Å; F236-I278 HydrophobicContact CD1-CG1 4.06Å; F236-I278 HydrophobicContact CE1-CD1 3.68Å; F236-I278 HydrophobicContact CE1-CG1 4.19Å; F236-I278 HydrophobicContact CE2-CD1 4.29Å; F236-I278 HydrophobicContact CG-CD1 4.43Å; F236-I278 HydrophobicContact CZ-CD1 3.85Å
237G86.5Confident79.8Confident29 Ų2950.2 Ų50.230%0.29929%0.291SS..Hα-helixtrans-67.1-50.6169.800000111.9E233 H234 V235 C240E233-G237 WeakPolarHBondContact O-CA 3.38Å; E233-G237 PolarHBondContact O-N 3.3Å; H234-G237 PolarHBondContact O-N 3.26Å; V235-G237 VanDerWaalsContact C-N 3.28Å; V235-G237 PolarHBondContact O-N 2.88Å; G237-C240 PolarHBondContact O-N 3.4Å
238S81.6Confident78.6Confident17 Ų1752.5 Ų52.512%0.11931%0.306CS..Hα-helixtrans-68.4-35.1-179.7650000112E195 H234 V235 C240 T241 Y242E195-S238 WeakPolarHBondContact OE1-CB 3.4Å; E195-S238 PolarHBondContact OE1-OG 2.64Å; H234-S238 WeakPolarHBondContact O-CB 3.31Å; H234-S238 PolarHBondContact O-N 3.31Å; H234-S238 PolarHBondContact O-OG 3.13Å; V235-S238 PolarHBondContact O-N 3.45Å; V235-S238 PolarHBondContact O-OG 3.01Å; V235-S238 VanDerWaalsContact O-OG 3.1Å; S238-C240 PolarHBondContact O-N 3.5Å; S238-C240 VanDerWaalsContact O-N 3.09Å; S238-T241 WeakPolarHBondContact O-CB 3.42Å; S238-T241 PolarHBondContact O-N 3.24Å; S238-T241 PolarHBondContact O-OG1 3.06Å; S238-Y242 VanDerWaalsContact O-CD2 3.25Å; S238-Y242 WeakPolarHBondContact O-CD2 3.49Å
239M78.8Confident77.5Confident6 Ų656.9 Ų56.93%0.0332%0.321CS..Hα-helixtrans-51-34.5173-81.1177.9-177.200113.9V235 F236 T241 Y242 L258 L259 F281V235-M239 HydrophobicContact CG1-CE 3.65Å; V235-M239 HydrophobicContact CG1-SD 4.35Å; V235-M239 VanDerWaalsContact O-CG 3.28Å; V235-M239 WeakPolarHBondContact O-CG 3.35Å; V235-M239 PolarHBondContact O-N 2.86Å; F236-M239 HydrophobicContact CD1-SD 3.83Å; F236-M239 HydrophobicContact CE1-SD 4.32Å; M239-T241 PolarHBondContact O-N 2.9Å; M239-Y242 WeakPolarHBondContact O-CB 3.45Å; M239-Y242 PolarHBondContact O-N 3.31Å; M239-L258 HydrophobicContact CE-CB 3.9Å; M239-L258 HydrophobicContact CE-CD2 3.75Å; M239-L258 HydrophobicContact CE-CG 3.47Å; M239-L258 VanDerWaalsContact CE-CG 3.47Å; M239-L259 VanDerWaalsContact CE-CA 3.43Å; M239-L259 HydrophobicContact CE-CB 3.72Å; M239-L259 HydrophobicContact CE-CD1 4.34Å; M239-L259 VanDerWaalsContact CE-N 3.31Å; M239-L259 HydrophobicContact SD-CB 4.04Å; M239-L259 HydrophobicContact SD-CD1 3.86Å; M239-L259 HydrophobicContact SD-CG 4.43Å; M239-F281 WeakPolarHBondContact O-CE2 3.27Å
240C64.5Low76.7Confident60 Ų6059.6 Ų59.641%0.40533%0.33SS..G310 helixtrans-66.5-23.4178.5-70.70000113.2G237 S238 Y242 V243 R277G237-C240 PolarHBondContact O-N 3.4Å; S238-C240 PolarHBondContact O-N 3.5Å; S238-C240 VanDerWaalsContact O-N 3.09Å; C240-Y242 PolarHBondContact O-N 3.48Å; C240-V243 PolarHBondContact O-N 2.94Å; C240-R277 VanDerWaalsContact SG-CD 3.55Å
241T66.3Low75.8Confident108 Ų10858.9 Ų58.966%0.66333%0.33SS*.G310 helixtrans-71.5-19.3174.369.90000112.4S238 M239S238-T241 WeakPolarHBondContact O-CB 3.42Å; S238-T241 PolarHBondContact O-N 3.24Å; S238-T241 PolarHBondContact O-OG1 3.06Å; M239-T241 PolarHBondContact O-N 2.9Å
242Y63.2Low75Confident35 Ų3560.9 Ų60.914%0.13734%0.338CS..G310 helixtrans-84.8-9.2178.4-65.9-85.4000113.6S198 S238 M239 C240 N244 L247 C255S198-Y242 PolarHBondContact OG-OH 3.21Å; S238-Y242 VanDerWaalsContact O-CD2 3.25Å; S238-Y242 WeakPolarHBondContact O-CD2 3.49Å; M239-Y242 WeakPolarHBondContact O-CB 3.45Å; M239-Y242 PolarHBondContact O-N 3.31Å; C240-Y242 PolarHBondContact O-N 3.48Å; Y242-N244 PolarHBondContact O-N 3.36Å; Y242-L247 HydrophobicContact CD1-CD1 3.95Å; Y242-L247 HydrophobicContact CD1-CD2 4.14Å; Y242-L247 HydrophobicContact CG-CD1 4.32Å; Y242-L247 WeakPolarHBondContact O-CD1 3.49Å; Y242-L247 WeakPolarHBondContact O-CG 3.28Å; Y242-C255 VanDerWaalsContact CB-SG 3.51Å; Y242-C255 WeakPolarHBondContact CD1-SG 3.33Å
243V56.7Low74.4Confident79 Ų7963 Ų6348%0.47935%0.35SS..  trans-78.548.6174.4-1620000111.3C240 F281C240-V243 PolarHBondContact O-N 2.94Å; V243-F281 HydrophobicContact CG2-CD2 3.06Å; V243-F281 HydrophobicContact CG2-CE2 3.35Å; V243-F281 HydrophobicContact CG2-CG 4.13Å
244N56.5Low73.9Confident85 Ų8556.8 Ų56.846%0.45532%0.321SS..  trans-105.2122.6169.7-161.5-23.7000107.7Y242 S246 L247Y242-N244 PolarHBondContact O-N 3.36Å; N244-S246 PolarHBondContact ND2-OG 3.41Å; N244-S246 PolarHBondContact O-N 2.83Å; N244-S246 PolarHBondContact OD1-N 3Å; N244-S246 PolarHBondContact OD1-OG 3.09Å; N244-L247 PolarHBondContact O-N 3.1Å
245P57.2Low73.7Confident126 Ų12654 Ų5482%0.81831%0.308SS*.THydrogen-bonded Turntrans-57.7-5.9175.819.8-31.1000114.3
246S61.4Low73.4Confident90 Ų9054.2 Ų54.263%0.62931%0.31SS*.THydrogen-bonded Turntrans-88.9-0.9174.749.10000115.5N244N244-S246 PolarHBondContact ND2-OG 3.41Å; N244-S246 PolarHBondContact O-N 2.83Å; N244-S246 PolarHBondContact OD1-N 3Å; N244-S246 PolarHBondContact OD1-OG 3.09Å
247L65.2Low73.4Confident34 Ų3456.5 Ų56.518%0.17832%0.322CS..  trans-61.4138.8173.4-76.6-171.1000112.3Y242 N244 E251 K252Y242-L247 HydrophobicContact CD1-CD1 3.95Å; Y242-L247 HydrophobicContact CD1-CD2 4.14Å; Y242-L247 HydrophobicContact CG-CD1 4.32Å; Y242-L247 WeakPolarHBondContact O-CD1 3.49Å; Y242-L247 WeakPolarHBondContact O-CG 3.28Å; N244-L247 PolarHBondContact O-N 3.1Å; L247-E251 HydrophobicContact CB-CB 4.25Å; L247-E251 HydrophobicContact CD1-CB 4.21Å; L247-E251 HydrophobicContact CD2-CB 3.81Å; L247-E251 HydrophobicContact CD2-CG 4.34Å; L247-E251 HydrophobicContact CG-CB 4.34Å; L247-K252 HydrophobicContact CB-CG 4.08Å; L247-K252 HydrophobicContact CD1-CG 4.35Å
248S70.9Confident73.7Confident56 Ų5655.4 Ų55.439%0.39231%0.309SS..  trans-66155.916970.50000111.1K250 E251 K252S248-K250 PolarHBondContact O-N 3.26Å; S248-K250 VanDerWaalsContact O-N 3.15Å; S248-E251 VanDerWaalsContact CB-OE2 3.27Å; S248-E251 WeakPolarHBondContact CB-OE2 3.09Å; S248-E251 PolarHBondContact N-OE2 3.35Å; S248-E251 PolarHBondContact O-N 3.18Å; S248-E251 VanDerWaalsContact OG-CD 3.27Å; S248-E251 WeakPolarHBondContact OG-CG 3.29Å; S248-E251 PolarHBondContact OG-N 2.89Å; S248-E251 PolarHBondContact OG-OE2 3.31Å; S248-K252 PolarHBondContact O-N 2.83Å; S248-K252 VanDerWaalsContact O-N 3.12Å
249F72.5Confident74.2Confident131 Ų13154.7 Ų54.758%0.57530%0.304SS*.Hα-helixtrans-51.3-39.1176.3178.3-97.7000112.5K252 D253 E293F249-K252 PolarHBondContact O-N 3.5Å; F249-D253 PolarHBondContact O-N 3.18Å; F249-D253 VanDerWaalsContact O-N 3.09Å; F249-E293 HydrophobicContact CD2-CG 4.22Å; F249-E293 HydrophobicContact CE2-CG 3.88Å
250K76Confident74.9Confident107 Ų10756.9 Ų56.947%0.46532%0.316SS..Hα-helixtrans-68.2-38.1179-71.8-174.1175.1-170.10113.2S248 K252 D253 D254S248-K250 PolarHBondContact O-N 3.26Å; S248-K250 VanDerWaalsContact O-N 3.15Å; K250-K252 VanDerWaalsContact C-N 3.31Å; K250-D253 PolarHBondContact O-N 3.03Å; K250-D254 PolarHBondContact O-N 3.37Å
251E76.3Confident76.3Confident59 Ų5955.6 Ų55.628%0.27631%0.306SS..Hα-helixtrans-69.7-34.2177.9-69.8159.5139.100111.2P199 L247 S248 C255P199-E251 HydrophobicContact CG-CG 4.21Å; L247-E251 HydrophobicContact CB-CB 4.25Å; L247-E251 HydrophobicContact CD1-CB 4.21Å; L247-E251 HydrophobicContact CD2-CB 3.81Å; L247-E251 HydrophobicContact CD2-CG 4.34Å; L247-E251 HydrophobicContact CG-CB 4.34Å; S248-E251 VanDerWaalsContact CB-OE2 3.27Å; S248-E251 WeakPolarHBondContact CB-OE2 3.09Å; S248-E251 PolarHBondContact N-OE2 3.35Å; S248-E251 PolarHBondContact O-N 3.18Å; S248-E251 VanDerWaalsContact OG-CD 3.27Å; S248-E251 WeakPolarHBondContact OG-CG 3.29Å; S248-E251 PolarHBondContact OG-N 2.89Å; S248-E251 PolarHBondContact OG-OE2 3.31Å; E251-C255 WeakPolarHBondContact O-CB 3.25Å; E251-C255 PolarHBondContact O-N 3Å; E251-C255 PolarHBondContact O-SG 3.31Å
252K77.8Confident77.7Confident46 Ų4650.5 Ų50.520%0.228%0.275CS..Hα-helixtrans-63.3-43.1172.5-68.4-173.7-178-174.60112L247 S248 F249 K250 C255 L256 T290 W299L247-K252 HydrophobicContact CB-CG 4.08Å; L247-K252 HydrophobicContact CD1-CG 4.35Å; S248-K252 PolarHBondContact O-N 2.83Å; S248-K252 VanDerWaalsContact O-N 3.12Å; F249-K252 PolarHBondContact O-N 3.5Å; K250-K252 VanDerWaalsContact C-N 3.31Å; K252-C255 WeakPolarHBondContact O-CB 3.16Å; K252-C255 PolarHBondContact O-N 3.12Å; K252-L256 WeakPolarHBondContact O-CB 3.19Å; K252-L256 PolarHBondContact O-N 2.77Å; K252-T290 PolarHBondContact NZ-OG1 3.2Å; K252-W299 HydrophobicContact CB-CZ2 4.25Å
253D81.3Confident79.2Confident46 Ų4649.2 Ų49.225%0.24627%0.27CS..Hα-helixtrans-63-48.4177.2-166.738.1000111.5F249 K250 C255 L256 N257F249-D253 PolarHBondContact O-N 3.18Å; F249-D253 VanDerWaalsContact O-N 3.09Å; K250-D253 PolarHBondContact O-N 3.03Å; D253-C255 VanDerWaalsContact C-N 3.28Å; D253-C255 PolarHBondContact O-N 3.45Å; D253-L256 WeakPolarHBondContact O-CB 3.27Å; D253-L256 PolarHBondContact O-N 3.27Å; D253-L256 VanDerWaalsContact O-N 3.12Å; D253-N257 PolarHBondContact O-N 2.78Å; D253-N257 PolarHBondContact O-ND2 3.3Å
254D83.3Confident80.9Confident10 Ų1050.5 Ų50.55%0.05327%0.271CS..Hα-helixtrans-59-39.8176.1-66.212.7000111.4P199 R214 E218 K250 L258P199-D254 WeakPolarHBondContact CB-OD2 3.28Å; R214-D254 IonicContact CZ-OD1 3.47Å; R214-D254 IonicContact CZ-OD2 3.29Å; R214-D254 IonicContact NH1-OD1 3.36Å; R214-D254 IonicContact NH2-OD1 3.47Å; R214-D254 PolarHBondContact NH2-OD1 3.2Å; R214-D254 IonicContact NH2-OD2 2.76Å; R214-D254 PolarHBondContact NH2-OD2 2.98Å; E218-D254 WeakPolarHBondContact OE1-CA 3.28Å; K250-D254 PolarHBondContact O-N 3.37Å; D254-L258 WeakPolarHBondContact O-CB 3.45Å; D254-L258 PolarHBondContact O-N 3.35Å
255C86.3Confident82.7Confident5 Ų550.3 Ų50.33%0.03426%0.264CS..Hα-helixtrans-66.2-43175.5-70.60000112.9Y242 E251 K252 D253 N257 L258 L259Y242-C255 VanDerWaalsContact CB-SG 3.51Å; Y242-C255 WeakPolarHBondContact CD1-SG 3.33Å; E251-C255 WeakPolarHBondContact O-CB 3.25Å; E251-C255 PolarHBondContact O-N 3Å; E251-C255 PolarHBondContact O-SG 3.31Å; K252-C255 WeakPolarHBondContact O-CB 3.16Å; K252-C255 PolarHBondContact O-N 3.12Å; D253-C255 VanDerWaalsContact C-N 3.28Å; D253-C255 PolarHBondContact O-N 3.45Å; C255-N257 VanDerWaalsContact C-N 3.34Å; C255-L258 PolarHBondContact O-N 3.36Å; C255-L259 VanDerWaalsContact O-CB 3.31Å; C255-L259 WeakPolarHBondContact O-CB 3.49Å; C255-L259 PolarHBondContact O-N 3.49Å
256L88Confident84.5Confident6 Ų644.8 Ų44.83%0.03123%0.227CC..Hα-helixtrans-61.2-45.3178179.166000110.4K252 D253 L259 N260 E298 W299 V302K252-L256 WeakPolarHBondContact O-CB 3.19Å; K252-L256 PolarHBondContact O-N 2.77Å; D253-L256 WeakPolarHBondContact O-CB 3.27Å; D253-L256 PolarHBondContact O-N 3.27Å; D253-L256 VanDerWaalsContact O-N 3.12Å; L256-L259 PolarHBondContact O-N 2.82Å; L256-N260 WeakPolarHBondContact O-CB 3.37Å; L256-N260 PolarHBondContact O-N 3.44Å; L256-E298 HydrophobicContact CD2-CB 3.68Å; L256-W299 HydrophobicContact CB-CH2 3.87Å; L256-W299 HydrophobicContact CB-CZ2 3.98Å; L256-W299 HydrophobicContact CB-CZ3 4.3Å; L256-W299 HydrophobicContact CD1-CD2 3.71Å; L256-W299 HydrophobicContact CD1-CE3 3.52Å; L256-W299 HydrophobicContact CD1-CG 4.28Å; L256-W299 HydrophobicContact CD1-CH2 4.09Å; L256-W299 HydrophobicContact CD1-CZ2 4.29Å; L256-W299 HydrophobicContact CD1-CZ3 3.71Å; L256-W299 HydrophobicContact CD2-CD2 4.41Å; L256-W299 HydrophobicContact CD2-CZ2 4.4Å; L256-W299 HydrophobicContact CG-CZ2 4.48Å; L256-V302 HydrophobicContact CD1-CB 4.09Å; L256-V302 HydrophobicContact CD1-CG2 3.52Å; L256-V302 HydrophobicContact CG-CG2 4.4Å
257N90.5Very high86Confident51 Ų5142 Ų4227%0.27321%0.208SC..Hα-helixtrans-65-42.3178.2-70.7-31.1000112.2E218 D253 C255 T261E218-N257 WeakPolarHBondContact OE1-CB 3.36Å; E218-N257 PolarHBondContact OE1-ND2 2.92Å; D253-N257 PolarHBondContact O-N 2.78Å; D253-N257 PolarHBondContact O-ND2 3.3Å; C255-N257 VanDerWaalsContact C-N 3.34Å; N257-T261 WeakPolarHBondContact O-CB 3.39Å; N257-T261 PolarHBondContact O-N 3.29Å; N257-T261 PolarHBondContact O-OG1 3.02Å
258L92.7Very high87.3Confident7 Ų744.1 Ų44.14%0.03721%0.213CC..Hα-helixtrans-64.3-43.7175-179.561.3000111.2N222 L225 T226 V235 M239 D254 C255 T261 A262N222-L258 HydrophobicContact CB-CD1 4.26Å; N222-L258 WeakPolarHBondContact OD1-CD1 3.48Å; L225-L258 HydrophobicContact CB-CD1 4.08Å; L225-L258 HydrophobicContact CD1-CD1 4.16Å; L225-L258 HydrophobicContact CD1-CD2 4.44Å; T226-L258 HydrophobicContact CG2-CD1 3.99Å; V235-L258 HydrophobicContact CG1-CD1 4.39Å; V235-L258 HydrophobicContact CG1-CD2 4.16Å; V235-L258 HydrophobicContact CG1-CG 4.14Å; M239-L258 HydrophobicContact CE-CB 3.9Å; M239-L258 HydrophobicContact CE-CD2 3.75Å; M239-L258 HydrophobicContact CE-CG 3.47Å; M239-L258 VanDerWaalsContact CE-CG 3.47Å; D254-L258 WeakPolarHBondContact O-CB 3.45Å; D254-L258 PolarHBondContact O-N 3.35Å; C255-L258 PolarHBondContact O-N 3.36Å; L258-T261 PolarHBondContact O-N 3.04Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.34Å; L258-A262 PolarHBondContact O-N 3.18Å
259L92.5Very high88.2Confident1 Ų148 Ų481%0.00523%0.225CC..Hα-helixtrans-63.8-45.2178.1178.856.1000111.5F236 M239 C255 L256 T261 A262 L263 I278 F281 L282 V302F236-L259 HydrophobicContact CD1-CD1 4.34Å; F236-L259 HydrophobicContact CE1-CD1 3.76Å; M239-L259 VanDerWaalsContact CE-CA 3.43Å; M239-L259 HydrophobicContact CE-CB 3.72Å; M239-L259 HydrophobicContact CE-CD1 4.34Å; M239-L259 VanDerWaalsContact CE-N 3.31Å; M239-L259 HydrophobicContact SD-CB 4.04Å; M239-L259 HydrophobicContact SD-CD1 3.86Å; M239-L259 HydrophobicContact SD-CG 4.43Å; C255-L259 VanDerWaalsContact O-CB 3.31Å; C255-L259 WeakPolarHBondContact O-CB 3.49Å; C255-L259 PolarHBondContact O-N 3.49Å; L256-L259 PolarHBondContact O-N 2.82Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.25Å; L259-A262 PolarHBondContact O-N 2.62Å; L259-L263 HydrophobicContact CD1-CD1 4.43Å; L259-L263 HydrophobicContact CD1-CD2 4.46Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 4.46Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.44Å; L259-I278 HydrophobicContact CD1-CG2 3.89Å; L259-I278 HydrophobicContact CD2-CG2 4.17Å; L259-F281 HydrophobicContact CD2-CD1 3.96Å; L259-F281 HydrophobicContact CD2-CE1 3.93Å; L259-L282 HydrophobicContact CD2-CD1 4.42Å; L259-L282 HydrophobicContact CD2-CD2 3.69Å; L259-L282 HydrophobicContact CD2-CG 4.11Å; L259-V302 HydrophobicContact CD2-CG1 3.73Å; L259-V302 HydrophobicContact CG-CG1 3.73Å
260N93.1Very high89.2Confident53 Ų5343.1 Ų43.128%0.28321%0.206SC..Hα-helixtrans-60.5-44.1176.5-168.432.3000111.4L256 A262 L263 H264 V302L256-N260 WeakPolarHBondContact O-CB 3.37Å; L256-N260 PolarHBondContact O-N 3.44Å; N260-A262 PolarHBondContact O-N 3.25Å; N260-L263 PolarHBondContact O-N 3.34Å; N260-H264 PolarHBondContact O-CD2 2.86Å; N260-H264 PolarHBondContact O-N 2.97Å; N260-V302 HydrophobicContact CB-CG2 3.78Å
261T94.5Very high90Very high33 Ų3338 Ų3820%0.20218%0.184CC..Hα-helixtrans-63.8-41.8176.9-51.90000111.2N222 T226 N257 L258 L259 H264 R265N222-T261 HydrophobicContact CB-CG2 4.21Å; T226-T261 HydrophobicContact CG2-CG2 4.32Å; T226-T261 WeakPolarHBondContact OG1-CG2 3.42Å; N257-T261 WeakPolarHBondContact O-CB 3.39Å; N257-T261 PolarHBondContact O-N 3.29Å; N257-T261 PolarHBondContact O-OG1 3.02Å; L258-T261 PolarHBondContact O-N 3.04Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.25Å; T261-H264 PolarHBondContact O-N 3.01Å; T261-R265 HydrophobicContact CG2-CG 4.44Å; T261-R265 PolarHBondContact O-N 3.04Å
262A95.2Very high90.8Very high0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-62.6-45.7178.300000112.3T226 V235 F236 L258 L259 N260 H264 R265 F266T226-A262 HydrophobicContact CG2-CB 3.82Å; V235-A262 HydrophobicContact CG1-CB 4.33Å; F236-A262 HydrophobicContact CE1-CB 4.01Å; F236-A262 HydrophobicContact CZ-CB 4.05Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.34Å; L258-A262 PolarHBondContact O-N 3.18Å; L259-A262 PolarHBondContact O-N 2.62Å; N260-A262 PolarHBondContact O-N 3.25Å; A262-H264 PolarHBondContact O-N 2.84Å; A262-R265 PolarHBondContact O-N 3.5Å; A262-F266 HydrophobicContact CB-CD2 3.8Å; A262-F266 HydrophobicContact CB-CE2 3.65Å; A262-F266 WeakPolarHBondContact O-CB 3.43Å; A262-F266 WeakPolarHBondContact O-CD2 3.39Å; A262-F266 PolarHBondContact O-N 2.93Å
263L94.5Very high91.5Very high8 Ų841.7 Ų41.74%0.04220%0.204CC..Hα-helixtrans-63-22.9176.3-67.7-179.7000113.1L259 N260 V271 I278 V302 R305 L306L259-L263 HydrophobicContact CD1-CD1 4.43Å; L259-L263 HydrophobicContact CD1-CD2 4.46Å; L259-L263 HydrophobicContact CD1-CG 4.13Å; L259-L263 HydrophobicContact CG-CD1 4.46Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.44Å; N260-L263 PolarHBondContact O-N 3.34Å; L263-V271 HydrophobicContact CD2-CG1 3.43Å; L263-V271 VanDerWaalsContact CD2-CG1 3.43Å; L263-V271 HydrophobicContact CD2-CG2 4.31Å; L263-I278 HydrophobicContact CD2-CD1 4.27Å; L263-V302 HydrophobicContact CD1-CG1 3.72Å; L263-R305 HydrophobicContact CB-CG 3.85Å; L263-R305 HydrophobicContact CD1-CB 4.13Å; L263-R305 HydrophobicContact CD1-CG 4.1Å; L263-L306 HydrophobicContact CD1-CB 4.35Å; L263-L306 HydrophobicContact CD2-CD1 4.37Å
264H93.1Very high92Very high106 Ų10640.8 Ų40.849%0.49120%0.198SC..Hα-helixtrans-88.4-30.5178.5-93.7-66.3000114.2N260 T261 A262 R305N260-H264 PolarHBondContact O-CD2 2.86Å; N260-H264 PolarHBondContact O-N 2.97Å; T261-H264 PolarHBondContact O-N 3.01Å; A262-H264 PolarHBondContact O-N 2.84Å; H264-R305 PolarHBondContact CE1-NE 3.19Å; H264-R305 PolarHBondContact CE1-NH2 3.02Å; H264-R305 PolarHBondContact NE2-NE 3.07Å; H264-R305 VanDerWaalsContact NE2-NE 3.14Å; H264-R305 PolarHBondContact NE2-NH2 3.27Å
265R94.5Very high92.4Very high82 Ų8240.3 Ų40.331%0.30920%0.195SC..Hα-helixtrans-105.8-32.1-170.7-71.1-171.856.9125.73.5114.1E175 T226 T261 A262E175-R265 IonicContact OE1-CZ 3.36Å; E175-R265 VanDerWaalsContact OE1-CZ 3.26Å; E175-R265 IonicContact OE1-NH1 3.56Å; E175-R265 PolarHBondContact OE1-NH1 3.32Å; E175-R265 IonicContact OE1-NH2 2.68Å; E175-R265 PolarHBondContact OE1-NH2 2.95Å; T226-R265 WeakPolarHBondContact O-CB 3.38Å; T226-R265 PolarHBondContact O-NE 2.95Å; T226-R265 VanDerWaalsContact OG1-CD 3.31Å; T226-R265 WeakPolarHBondContact OG1-CD 3.25Å; T261-R265 HydrophobicContact CG2-CG 4.44Å; T261-R265 PolarHBondContact O-N 3.04Å; A262-R265 PolarHBondContact O-N 3.5Å
266F94.8Very high92.7Very high9 Ų944.3 Ų44.34%0.03921%0.214CC..SBendtrans-73.9149.2172.8-61.7-34.6000110.7T226 S228 D229 L231 A232 V235 F236 A262 V271T226-F266 HydrophobicContact CG2-CE2 4.4Å; T226-F266 HydrophobicContact CG2-CZ 4.05Å; S228-F266 VanDerWaalsContact O-CE1 3.25Å; S228-F266 WeakPolarHBondContact O-CE1 3.21Å; D229-F266 WeakPolarHBondContact OD1-CA 3.05Å; L231-F266 HydrophobicContact CB-CE1 4.18Å; L231-F266 HydrophobicContact CB-CZ 4.15Å; A232-F266 HydrophobicContact CB-CD1 4.37Å; A232-F266 HydrophobicContact CB-CD2 3.7Å; A232-F266 HydrophobicContact CB-CE1 4.34Å; A232-F266 HydrophobicContact CB-CE2 3.66Å; A232-F266 HydrophobicContact CB-CG 4.07Å; A232-F266 HydrophobicContact CB-CZ 4Å; V235-F266 HydrophobicContact CB-CE2 4.21Å; V235-F266 HydrophobicContact CB-CZ 4.31Å; V235-F266 HydrophobicContact CG1-CE2 4.31Å; V235-F266 HydrophobicContact CG2-CZ 4.13Å; F236-F266 AromaticContact CE2-CD2 3.7Å; F236-F266 HydrophobicContact CE2-CD2 3.7Å; F236-F266 HydrophobicContact CE2-CE2 4.04Å; F236-F266 AromaticContact CZ-CD2 3.74Å; F236-F266 HydrophobicContact CZ-CD2 3.74Å; F236-F266 HydrophobicContact CZ-CE2 4.1Å; A262-F266 HydrophobicContact CB-CD2 3.8Å; A262-F266 HydrophobicContact CB-CE2 3.65Å; A262-F266 WeakPolarHBondContact O-CB 3.43Å; A262-F266 WeakPolarHBondContact O-CD2 3.39Å; A262-F266 PolarHBondContact O-N 2.93Å; F266-V271 HydrophobicContact CB-CG2 3.88Å
267S92.1Very high92.7Very high33 Ų3349.6 Ų49.623%0.23123%0.233CC..  trans-62.1150.6174.476.40000111D229 Q269 T270 V271D229-S267 PolarHBondContact OD1-N 3.45Å; D229-S267 WeakPolarHBondContact OD2-CB 3.48Å; D229-S267 PolarHBondContact OD2-N 3.34Å; D229-S267 PolarHBondContact OD2-OG 2.91Å; S267-Q269 PolarHBondContact O-N 3.23Å; S267-T270 PolarHBondContact O-N 2.96Å; S267-T270 VanDerWaalsContact O-N 3.13Å; S267-T270 PolarHBondContact OG-N 3.26Å; S267-T270 PolarHBondContact OG-OG1 3.39Å; S267-V271 WeakPolarHBondContact O-CG2 3.4Å; S267-V271 PolarHBondContact O-N 3.46Å
268R92.7Very high92.8Very high77 Ų7747.4 Ų47.429%0.29122%0.222SC..Hα-helixtrans-60.8-35.6179.8-66.2-177.7-173.6-143.8-1.3111.8V271 R272 V309 F312 D313 D314R268-V271 PolarHBondContact O-N 3.1Å; R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.48Å; R268-R272 PolarHBondContact O-N 3.2Å; R268-V309 HydrophobicContact CB-CG1 3.94Å; R268-V309 HydrophobicContact CG-CG1 4.06Å; R268-V309 HydrophobicContact CG-CG2 4.31Å; R268-F312 WeakPolarHBondContact CD-O 3.46Å; R268-F312 PolarHBondContact NH1-O 2.92Å; R268-D313 PolarHBondContact NH1-O 3.28Å; R268-D314 VanDerWaalsContact CB-OD1 3.31Å; R268-D314 WeakPolarHBondContact CB-OD1 3.24Å; R268-D314 WeakPolarHBondContact CD-OD1 3.44Å; R268-D314 WeakPolarHBondContact CG-OD1 3.19Å; R268-D314 IonicContact NE-OD1 2.75Å
269Q90.9Very high92.8Very high139 Ų13947.1 Ų47.165%0.6522%0.22SC*.Hα-helixtrans-59.7-47.1176-175.1176.11.800111.4S267 R272 L273S267-Q269 PolarHBondContact O-N 3.23Å; Q269-R272 PolarHBondContact O-N 3.37Å; Q269-L273 PolarHBondContact O-N 2.8Å
270T93Very high92.6Very high28 Ų2852.1 Ų52.117%0.17224%0.242CC..Hα-helixtrans-64.3-45179-63.80000111.5D229 A232 S267 R272 L273 H274D229-T270 HydrophobicContact CB-CG2 4.35Å; D229-T270 PolarHBondContact OD2-OG1 2.92Å; A232-T270 HydrophobicContact CB-CG2 3.26Å; S267-T270 PolarHBondContact O-N 2.96Å; S267-T270 VanDerWaalsContact O-N 3.13Å; S267-T270 PolarHBondContact OG-N 3.26Å; S267-T270 PolarHBondContact OG-OG1 3.39Å; T270-R272 PolarHBondContact O-N 3.44Å; T270-L273 PolarHBondContact O-N 3.41Å; T270-H274 PolarHBondContact O-CD2 3.44Å
271V93.7Very high92.3Very high0 Ų050.6 Ų50.60%023%0.232CC..Hα-helixtrans-61.1-41.5177.8173.70000112F236 L263 F266 S267 R268 L273 H274 G275 I278 L306 V309F236-V271 HydrophobicContact CE2-CG2 4.47Å; F236-V271 HydrophobicContact CZ-CG2 4.29Å; L263-V271 HydrophobicContact CD2-CG1 3.43Å; L263-V271 VanDerWaalsContact CD2-CG1 3.43Å; L263-V271 HydrophobicContact CD2-CG2 4.31Å; F266-V271 HydrophobicContact CB-CG2 3.88Å; S267-V271 WeakPolarHBondContact O-CG2 3.4Å; S267-V271 PolarHBondContact O-N 3.46Å; R268-V271 PolarHBondContact O-N 3.1Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.46Å; V271-H274 CarbonylContact O-C 3.56Å; V271-H274 WeakPolarHBondContact O-CA 3.38Å; V271-H274 PolarHBondContact O-N 2.93Å; V271-G275 PolarHBondContact O-N 3.3Å; V271-I278 HydrophobicContact CG1-CD1 4.02Å; V271-L306 HydrophobicContact CG1-CD1 4.25Å; V271-V309 HydrophobicContact CB-CG1 3.8Å; V271-V309 HydrophobicContact CG1-CB 4.41Å; V271-V309 HydrophobicContact CG1-CG1 3.63Å
272R92.2Very high92Very high40 Ų4049 Ų4915%0.15122%0.223CC..Hα-helixtrans-60.3-37.1-179.8-79.4177.8-167.2153.1-2.7114R268 Q269 T270 H274 G275 V309 M310 F312R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.48Å; R268-R272 PolarHBondContact O-N 3.2Å; Q269-R272 PolarHBondContact O-N 3.37Å; T270-R272 PolarHBondContact O-N 3.44Å; R272-H274 PolarHBondContact O-N 3.38Å; R272-H274 VanDerWaalsContact O-N 3.1Å; R272-G275 PolarHBondContact O-N 3.47Å; R272-V309 HydrophobicContact CG-CG1 4.37Å; R272-V309 PolarHBondContact NE-O 3.49Å; R272-V309 PolarHBondContact NH2-O 3.44Å; R272-M310 HydrophobicContact CB-SD 4.3Å; R272-M310 HydrophobicContact CG-CE 4.44Å; R272-M310 HydrophobicContact CG-SD 3.83Å; R272-F312 PolarHBondContact NH2-O 2.94Å
273L92.1Very high91.7Very high141 Ų14149.6 Ų49.674%0.73823%0.226SC*.Hα-helixtrans-58.4-24.8175.4-64.1174.3000112Q269 T270 V271Q269-L273 PolarHBondContact O-N 2.8Å; T270-L273 PolarHBondContact O-N 3.41Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.46Å
274H92.8Very high91.1Very high27 Ų2751.5 Ų51.513%0.12524%0.239CC..THydrogen-bonded Turntrans-105.32176.4-59.6-72.9000113.6F236 T270 V271 R272 E276 R277 I278F236-H274 HydrophobicContact CB-CB 4.39Å; F236-H274 HydrophobicContact CD2-CB 3.88Å; F236-H274 AromaticContact CD2-CD2 3.52Å; F236-H274 AromaticContact CD2-CG 3.69Å; F236-H274 HydrophobicContact CE2-CB 4.42Å; F236-H274 HydrophobicContact CG-CB 4.23Å; T270-H274 PolarHBondContact O-CD2 3.44Å; V271-H274 CarbonylContact O-C 3.56Å; V271-H274 WeakPolarHBondContact O-CA 3.38Å; V271-H274 PolarHBondContact O-N 2.93Å; R272-H274 PolarHBondContact O-N 3.38Å; R272-H274 VanDerWaalsContact O-N 3.1Å; H274-E276 PolarHBondContact O-N 2.88Å; H274-R277 WeakPolarHBondContact O-CA 3.47Å; H274-R277 WeakPolarHBondContact O-CB 3.25Å; H274-R277 PolarHBondContact O-N 3.02Å; H274-I278 HydrophobicContact CB-CD1 3.98Å; H274-I278 HydrophobicContact CB-CG1 4.26Å; H274-I278 WeakPolarHBondContact O-CG1 3.46Å; H274-I278 PolarHBondContact O-N 3.21Å
275G92.2Very high90.5Very high0 Ų047.8 Ų47.80%023%0.225CC..Hα-helixtrans-56.6-43.9-168.700000114.8V271 R272 R277 I278 L279V271-G275 PolarHBondContact O-N 3.3Å; R272-G275 PolarHBondContact O-N 3.47Å; G275-R277 VanDerWaalsContact C-N 3.34Å; G275-R277 PolarHBondContact O-N 3.12Å; G275-I278 PolarHBondContact O-N 3.18Å; G275-L279 WeakPolarHBondContact O-CB 3.23Å; G275-L279 PolarHBondContact O-N 2.88Å
276E90.9Very high90.1Very high89 Ų8944.1 Ų44.142%0.41621%0.211SC..Hα-helixtrans-63.3-40175.7-177.6-177.9162.800112H274 L279 K280 I328H274-E276 PolarHBondContact O-N 2.88Å; E276-L279 PolarHBondContact O-N 2.8Å; E276-K280 HydrophobicContact CG-CD 4.41Å; E276-K280 WeakPolarHBondContact O-CG 3.27Å; E276-K280 PolarHBondContact O-N 3.33Å; E276-K280 VanDerWaalsContact OE1-CE 3.31Å; E276-K280 WeakPolarHBondContact OE1-CE 3.29Å; E276-K280 IonicContact OE1-NZ 2.76Å; E276-K280 PolarHBondContact OE1-NZ 3.26Å; E276-I328 HydrophobicContact CG-CD1 4.22Å
277R89.8Confident89.4Confident118 Ų11843.8 Ų43.845%0.44521%0.21SC..Hα-helixtrans-65.5-43.5178.2-175.9-174.4-68.2179.51.4110.6C240 H274 G275 K280 F281C240-R277 VanDerWaalsContact SG-CD 3.55Å; H274-R277 WeakPolarHBondContact O-CA 3.47Å; H274-R277 WeakPolarHBondContact O-CB 3.25Å; H274-R277 PolarHBondContact O-N 3.02Å; G275-R277 VanDerWaalsContact C-N 3.34Å; G275-R277 PolarHBondContact O-N 3.12Å; R277-K280 PolarHBondContact O-N 3Å; R277-F281 WeakPolarHBondContact O-CB 3.44Å; R277-F281 PolarHBondContact O-N 2.89Å; R277-F281 VanDerWaalsContact O-N 3.09Å
278I92.2Very high88.7Confident5 Ų548.7 Ų48.73%0.02622%0.223CC..Hα-helixtrans-66.5-40.8177.5-57.4164.8000110.2F236 L259 L263 V271 H274 G275 K280 F281 L282 L306F236-I278 HydrophobicContact CD1-CD1 3.98Å; F236-I278 HydrophobicContact CD1-CG1 4.06Å; F236-I278 HydrophobicContact CE1-CD1 3.68Å; F236-I278 HydrophobicContact CE1-CG1 4.19Å; F236-I278 HydrophobicContact CE2-CD1 4.29Å; F236-I278 HydrophobicContact CG-CD1 4.43Å; F236-I278 HydrophobicContact CZ-CD1 3.85Å; L259-I278 HydrophobicContact CD1-CG2 3.89Å; L259-I278 HydrophobicContact CD2-CG2 4.17Å; L263-I278 HydrophobicContact CD2-CD1 4.27Å; V271-I278 HydrophobicContact CG1-CD1 4.02Å; H274-I278 HydrophobicContact CB-CD1 3.98Å; H274-I278 HydrophobicContact CB-CG1 4.26Å; H274-I278 WeakPolarHBondContact O-CG1 3.46Å; H274-I278 PolarHBondContact O-N 3.21Å; G275-I278 PolarHBondContact O-N 3.18Å; I278-K280 PolarHBondContact O-N 3.46Å; I278-F281 WeakPolarHBondContact O-CB 3.47Å; I278-F281 PolarHBondContact O-N 3.33Å; I278-L282 HydrophobicContact CG2-CD1 3.89Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CG 3.21Å; I278-L282 PolarHBondContact O-N 3.24Å; I278-L306 HydrophobicContact CB-CD1 4.25Å; I278-L306 HydrophobicContact CB-CD2 4.1Å; I278-L306 HydrophobicContact CD1-CD1 4.3Å; I278-L306 HydrophobicContact CG2-CD1 4.2Å; I278-L306 HydrophobicContact CG2-CD2 3.86Å
279L91.8Very high87.4Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-60.6-48.6176.9-179.762.3000111.5G275 E276 F281 L282 V283 Y303 L306 F325 I328 L329G275-L279 WeakPolarHBondContact O-CB 3.23Å; G275-L279 PolarHBondContact O-N 2.88Å; E276-L279 PolarHBondContact O-N 2.8Å; L279-F281 PolarHBondContact O-N 3.06Å; L279-L282 PolarHBondContact O-N 2.96Å; L279-L282 VanDerWaalsContact O-N 3.08Å; L279-V283 HydrophobicContact CD1-CG2 3.89Å; L279-V283 HydrophobicContact CG-CG2 4.16Å; L279-V283 VanDerWaalsContact O-CG2 3.31Å; L279-V283 WeakPolarHBondContact O-CG2 3.1Å; L279-V283 PolarHBondContact O-N 3.36Å; L279-Y303 HydrophobicContact CD1-CD2 4.12Å; L279-Y303 HydrophobicContact CD1-CE2 3.83Å; L279-L306 HydrophobicContact CB-CD2 4.11Å; L279-F325 HydrophobicContact CB-CE2 4.06Å; L279-F325 HydrophobicContact CD1-CE2 4.18Å; L279-F325 HydrophobicContact CD1-CZ 3.98Å; L279-F325 HydrophobicContact CD2-CD2 4.17Å; L279-F325 HydrophobicContact CD2-CE2 3.69Å; L279-F325 HydrophobicContact CD2-CZ 4.07Å; L279-F325 HydrophobicContact CG-CE2 4.19Å; L279-F325 HydrophobicContact CG-CZ 4.46Å; L279-I328 HydrophobicContact CD2-CG2 3.95Å; L279-L329 HydrophobicContact CD1-CD1 4.1Å; L279-L329 HydrophobicContact CD2-CB 4.38Å
280K88.4Confident86Confident107 Ų10743.4 Ų43.447%0.46521%0.21SC..Hα-helixtrans-63.4-26.6177.5-71.7179.5-174.7172.40113E276 R277 I278 P284E276-K280 HydrophobicContact CG-CD 4.41Å; E276-K280 WeakPolarHBondContact O-CG 3.27Å; E276-K280 PolarHBondContact O-N 3.33Å; E276-K280 VanDerWaalsContact OE1-CE 3.31Å; E276-K280 WeakPolarHBondContact OE1-CE 3.29Å; E276-K280 IonicContact OE1-NZ 2.76Å; E276-K280 PolarHBondContact OE1-NZ 3.26Å; R277-K280 PolarHBondContact O-N 3Å; I278-K280 PolarHBondContact O-N 3.46Å; K280-P284 WeakPolarHBondContact O-CD 3.48Å
281F87.1Confident84.1Confident20 Ų2052.6 Ų52.69%0.08825%0.247CC..Hα-helixtrans-71.9-42.6171.6176.3-87.6000112M239 V243 L259 R277 I278 L279 P285 W299M239-F281 WeakPolarHBondContact O-CE2 3.27Å; V243-F281 HydrophobicContact CG2-CD2 3.06Å; V243-F281 HydrophobicContact CG2-CE2 3.35Å; V243-F281 HydrophobicContact CG2-CG 4.13Å; L259-F281 HydrophobicContact CD2-CD1 3.96Å; L259-F281 HydrophobicContact CD2-CE1 3.93Å; R277-F281 WeakPolarHBondContact O-CB 3.44Å; R277-F281 PolarHBondContact O-N 2.89Å; R277-F281 VanDerWaalsContact O-N 3.09Å; I278-F281 WeakPolarHBondContact O-CB 3.47Å; I278-F281 PolarHBondContact O-N 3.33Å; L279-F281 PolarHBondContact O-N 3.06Å; F281-P285 WeakPolarHBondContact O-CD 3.31Å; F281-W299 HydrophobicContact CE1-CH2 4.34Å; F281-W299 AromaticContact CE1-CZ3 3.86Å; F281-W299 HydrophobicContact CE1-CZ3 3.86Å
282L88.6Confident82.2Confident0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-78.9-32.4-175.2-74.2173.7000114.3L259 I278 L279 P285 I286 W299 V302 L306L259-L282 HydrophobicContact CD2-CD1 4.42Å; L259-L282 HydrophobicContact CD2-CD2 3.69Å; L259-L282 HydrophobicContact CD2-CG 4.11Å; I278-L282 HydrophobicContact CG2-CD1 3.89Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CG 3.21Å; I278-L282 PolarHBondContact O-N 3.24Å; L279-L282 PolarHBondContact O-N 2.96Å; L279-L282 VanDerWaalsContact O-N 3.08Å; L282-P285 WeakPolarHBondContact O-CD 3.43Å; L282-P285 VanDerWaalsContact O-CG 3.31Å; L282-P285 WeakPolarHBondContact O-CG 3.35Å; L282-I286 HydrophobicContact CB-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CD1 3.39Å; L282-I286 VanDerWaalsContact O-CG1 3.25Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.21Å; L282-W299 HydrophobicContact CD2-CE3 3.72Å; L282-W299 HydrophobicContact CD2-CZ3 4.04Å; L282-V302 HydrophobicContact CD1-CG1 4.25Å; L282-V302 HydrophobicContact CD2-CB 4.5Å; L282-V302 HydrophobicContact CD2-CG1 4Å; L282-L306 HydrophobicContact CD1-CB 4.42Å; L282-L306 HydrophobicContact CD1-CD2 3.98Å
283V88Confident80.2Confident12 Ų1256.5 Ų56.57%0.07329%0.291CS..Hα-helixtrans-58.3-48.6-176.2167.90000112.4L279 I286 L287 L333 M351L279-V283 HydrophobicContact CD1-CG2 3.89Å; L279-V283 HydrophobicContact CG-CG2 4.16Å; L279-V283 VanDerWaalsContact O-CG2 3.31Å; L279-V283 WeakPolarHBondContact O-CG2 3.1Å; L279-V283 PolarHBondContact O-N 3.36Å; V283-I286 PolarHBondContact O-N 3Å; V283-L287 HydrophobicContact CG1-CD1 3.54Å; V283-L287 HydrophobicContact CG1-CG 4.13Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.02Å; V283-L333 HydrophobicContact CG1-CD2 4.42Å; V283-M351 HydrophobicContact CG2-CE 3.9Å
284P82.9Confident78.1Confident48 Ų4854.4 Ų54.431%0.31229%0.294SS..Hα-helixtrans-59.9-51.1-179.4-23.233.6000115.8K280 I286 L287 W288K280-P284 WeakPolarHBondContact O-CD 3.48Å; P284-I286 PolarHBondContact O-N 3.49Å; P284-L287 PolarHBondContact O-N 3Å; P284-W288 HydrophobicContact CB-CE3 4.33Å; P284-W288 HydrophobicContact CB-CZ3 4.31Å; P284-W288 PolarHBondContact O-N 3.02Å
285P80.4Confident76.3Confident29 Ų2953.8 Ų53.819%0.18829%0.294CS..Hα-helixtrans-64.4-27.6179.423.9-32.9000113.2F281 L282 W299F281-P285 WeakPolarHBondContact O-CD 3.31Å; L282-P285 WeakPolarHBondContact O-CD 3.43Å; L282-P285 VanDerWaalsContact O-CG 3.31Å; L282-P285 WeakPolarHBondContact O-CG 3.35Å; P285-W299 HydrophobicContact CB-CD2 3.89Å; P285-W299 HydrophobicContact CB-CE3 4.12Å; P285-W299 HydrophobicContact CB-CG 4.35Å; P285-W299 HydrophobicContact CB-CZ2 4.39Å; P285-W299 HydrophobicContact CB-CZ3 4.49Å; P285-W299 HydrophobicContact CG-CD2 4.07Å; P285-W299 HydrophobicContact CG-CE3 3.77Å; P285-W299 HydrophobicContact CG-CZ3 4.03Å
286I84.9Confident74.7Confident4 Ų457.7 Ų57.72%0.02131%0.313CS..Hα-helixtrans-74.1-43.4176-64.5168.3000111.7L282 V283 P284 W299 L300 Y303 M347 M351L282-I286 HydrophobicContact CB-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CD1 3.39Å; L282-I286 VanDerWaalsContact O-CG1 3.25Å; L282-I286 WeakPolarHBondContact O-CG1 3.38Å; L282-I286 PolarHBondContact O-N 3.21Å; V283-I286 PolarHBondContact O-N 3Å; P284-I286 PolarHBondContact O-N 3.49Å; I286-W299 HydrophobicContact CD1-CB 4.41Å; I286-W299 HydrophobicContact CG1-CB 3.64Å; I286-L300 HydrophobicContact CG2-CD1 4.26Å; I286-Y303 HydrophobicContact CD1-CG 4.19Å; I286-M347 HydrophobicContact CG2-CB 4.21Å; I286-M347 WeakPolarHBondContact O-CG 3.21Å; I286-M351 HydrophobicContact CB-SD 4.19Å; I286-M351 HydrophobicContact CD1-CE 4Å; I286-M351 HydrophobicContact CD1-SD 4.3Å; I286-M351 HydrophobicContact CG2-CG 3.96Å; I286-M351 HydrophobicContact CG2-SD 3.59Å; I286-M351 VanDerWaalsContact CG2-SD 3.59Å
287L82Confident73.8Confident3 Ų356.9 Ų56.92%0.01632%0.317CS..Hα-helixtrans-79.2-28.2-175.9-66.6-177.8000114V283 P284 L333 F336 S344 M347 A348 M351V283-L287 HydrophobicContact CG1-CD1 3.54Å; V283-L287 HydrophobicContact CG1-CG 4.13Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.02Å; P284-L287 PolarHBondContact O-N 3Å; L287-L333 HydrophobicContact CD1-CD2 3.99Å; L287-L333 HydrophobicContact CD2-CD2 4.14Å; L287-L333 HydrophobicContact CG-CD2 4.48Å; L287-F336 HydrophobicContact CD1-CD1 4.16Å; L287-F336 HydrophobicContact CD1-CD2 3.35Å; L287-F336 HydrophobicContact CD1-CE1 4.27Å; L287-F336 HydrophobicContact CD1-CE2 3.46Å; L287-F336 VanDerWaalsContact CD1-CE2 3.46Å; L287-F336 HydrophobicContact CD1-CG 3.74Å; L287-F336 HydrophobicContact CD1-CZ 3.96Å; L287-S344 WeakPolarHBondContact O-CB 3.21Å; L287-S344 PolarHBondContact O-OG 2.88Å; L287-M347 HydrophobicContact CD2-CB 4.17Å; L287-A348 HydrophobicContact CD2-CB 3.94Å; L287-M351 HydrophobicContact CD2-SD 4.33Å
288W76.3Confident73.6Confident136 Ų13655.9 Ų55.952%0.51532%0.317SS..SBendtrans-128.674.6178-58.7-82.6000110.7P284 T290 F336P284-W288 HydrophobicContact CB-CE3 4.33Å; P284-W288 HydrophobicContact CB-CZ3 4.31Å; P284-W288 PolarHBondContact O-N 3.02Å; W288-T290 PolarHBondContact O-N 3.44Å; W288-F336 AromaticContact CH2-CE1 3.52Å; W288-F336 HydrophobicContact CH2-CE1 3.52Å; W288-F336 HydrophobicContact CH2-CE2 4.2Å; W288-F336 AromaticContact CH2-CZ 3.22Å; W288-F336 HydrophobicContact CH2-CZ 3.22Å; W288-F336 HydrophobicContact CZ2-CD1 4.29Å; W288-F336 AromaticContact CZ2-CE1 3.2Å; W288-F336 HydrophobicContact CZ2-CE1 3.2Å; W288-F336 AromaticContact CZ2-CZ 3.45Å; W288-F336 HydrophobicContact CZ2-CZ 3.45Å; W288-F336 VanDerWaalsContact CZ2-CZ 3.45Å; W288-F336 HydrophobicContact CZ3-CZ 4.24Å
289P65.4Low73.4Confident40 Ų4056.4 Ų56.426%0.2632%0.319SS..PPolyproline II helixtrans-61.4139.9174.625.4-32000109.6K291 E296P289-K291 PolarHBondContact O-N 3.21Å; P289-E296 HydrophobicContact CB-CG 3.73Å; P289-E296 HydrophobicContact CG-CG 3.93Å; P289-E296 VanDerWaalsContact CG-OE1 3.23Å; P289-E296 WeakPolarHBondContact CG-OE1 3.43Å
290T61.3Low73.2Confident65 Ų6557.7 Ų57.740%0.39933%0.326SS..PPolyproline II helixtrans-70129.7176.91.40000108.4K252 W288 G292 E293K252-T290 PolarHBondContact NZ-OG1 3.2Å; W288-T290 PolarHBondContact O-N 3.44Å; T290-G292 PolarHBondContact O-N 3.5Å; T290-G292 VanDerWaalsContact O-N 3.13Å; T290-E293 WeakPolarHBondContact CB-OE1 3.4Å; T290-E293 PolarHBondContact N-OE2 3.15Å; T290-E293 VanDerWaalsContact N-OE2 3.14Å; T290-E293 VanDerWaalsContact O-CG 3.27Å; T290-E293 WeakPolarHBondContact O-CG 3.3Å; T290-E293 PolarHBondContact O-N 3.32Å; T290-E293 PolarHBondContact OG1-OE1 3.02Å; T290-E293 PolarHBondContact OG1-OE2 3.07Å; T290-E293 VanDerWaalsContact OG1-OE2 3.1Å
291K52.4Low73.4Confident220 Ų22056.6 Ų56.696%0.95733%0.328SS*.THydrogen-bonded Turntrans-48.1121.7-174.6-82.5-173.5175.6-178.80111.8P289P289-K291 PolarHBondContact O-N 3.21Å
292G54.8Low73.6Confident87 Ų8755.8 Ų55.890%0.89733%0.325SS*.THydrogen-bonded Turntrans107.42.2176.700000115.1T290T290-G292 PolarHBondContact O-N 3.5Å; T290-G292 VanDerWaalsContact O-N 3.13Å
293E50Low73.9Confident35 Ų3555.8 Ų55.816%0.16433%0.325CS..  trans-85.8119.8-179.1-69.8177.2172.800112F249 T290 G295F249-E293 HydrophobicContact CD2-CG 4.22Å; F249-E293 HydrophobicContact CE2-CG 3.88Å; T290-E293 WeakPolarHBondContact CB-OE1 3.4Å; T290-E293 PolarHBondContact N-OE2 3.15Å; T290-E293 VanDerWaalsContact N-OE2 3.14Å; T290-E293 VanDerWaalsContact O-CG 3.27Å; T290-E293 WeakPolarHBondContact O-CG 3.3Å; T290-E293 PolarHBondContact O-N 3.32Å; T290-E293 PolarHBondContact OG1-OE1 3.02Å; T290-E293 PolarHBondContact OG1-OE2 3.07Å; T290-E293 VanDerWaalsContact OG1-OE2 3.1Å; E293-G295 PolarHBondContact O-N 3.39Å
294A49Very low74.2Confident98 Ų9857.2 Ų57.281%0.8133%0.332SS*.THydrogen-bonded Turntrans-72.50.4158.900000112.3E296A294-E296 VanDerWaalsContact C-N 3.33Å; A294-E296 PolarHBondContact O-N 3.12Å
295G53.9Low74.7Confident13 Ų1358.8 Ų58.813%0.13433%0.332CS..THydrogen-bonded Turntrans-81.30.7-173.500000115.5E293 S297 E298 W299E293-G295 PolarHBondContact O-N 3.39Å; G295-S297 PolarHBondContact O-N 3.16Å; G295-S297 VanDerWaalsContact O-N 3.13Å; G295-E298 PolarHBondContact O-N 2.95Å; G295-W299 PolarHBondContact O-N 3.46Å
296E59.3Low75.4Confident83 Ų8357.4 Ų57.439%0.38832%0.323SS..Hα-helixtrans-52.8-35.1177-70.5179.5-173.600112P289 A294 L300 M347P289-E296 HydrophobicContact CB-CG 3.73Å; P289-E296 HydrophobicContact CG-CG 3.93Å; P289-E296 VanDerWaalsContact CG-OE1 3.23Å; P289-E296 WeakPolarHBondContact CG-OE1 3.43Å; A294-E296 VanDerWaalsContact C-N 3.33Å; A294-E296 PolarHBondContact O-N 3.12Å; E296-L300 WeakPolarHBondContact O-CB 3.34Å; E296-L300 PolarHBondContact O-N 3.46Å; E296-M347 WeakPolarHBondContact OE2-CE 3.48Å
297S71.7Confident75.8Confident72 Ų7257.2 Ų57.250%0.50332%0.322SS..Hα-helixtrans-73.3-30.3179.862.20000114G295 T301G295-S297 PolarHBondContact O-N 3.16Å; G295-S297 VanDerWaalsContact O-N 3.13Å; S297-T301 WeakPolarHBondContact O-CB 3.49Å; S297-T301 PolarHBondContact O-N 2.76Å; S297-T301 PolarHBondContact O-OG1 2.89Å
298E84.8Confident76.4Confident96 Ų9660 Ų6045%0.44934%0.335SS..Hα-helixtrans-79-43.4-173.5-60.1-178.4162.900111.2L256 G295 L300 T301 V302L256-E298 HydrophobicContact CD2-CB 3.68Å; G295-E298 PolarHBondContact O-N 2.95Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 2.57Å; E298-T301 WeakPolarHBondContact O-CB 3.19Å; E298-T301 PolarHBondContact O-N 2.9Å; E298-T301 VanDerWaalsContact O-N 3.12Å; E298-V302 PolarHBondContact O-N 3.22Å
299W87.8Confident77.1Confident17 Ų1753.7 Ų53.76%0.06431%0.311CS..Hα-helixtrans-59-42.2171.7-69.4102.3000111.8K252 L256 F281 L282 P285 I286 G295 T301 V302 Y303K252-W299 HydrophobicContact CB-CZ2 4.25Å; L256-W299 HydrophobicContact CB-CH2 3.87Å; L256-W299 HydrophobicContact CB-CZ2 3.98Å; L256-W299 HydrophobicContact CB-CZ3 4.3Å; L256-W299 HydrophobicContact CD1-CD2 3.71Å; L256-W299 HydrophobicContact CD1-CE3 3.52Å; L256-W299 HydrophobicContact CD1-CG 4.28Å; L256-W299 HydrophobicContact CD1-CH2 4.09Å; L256-W299 HydrophobicContact CD1-CZ2 4.29Å; L256-W299 HydrophobicContact CD1-CZ3 3.71Å; L256-W299 HydrophobicContact CD2-CD2 4.41Å; L256-W299 HydrophobicContact CD2-CZ2 4.4Å; L256-W299 HydrophobicContact CG-CZ2 4.48Å; F281-W299 HydrophobicContact CE1-CH2 4.34Å; F281-W299 AromaticContact CE1-CZ3 3.86Å; F281-W299 HydrophobicContact CE1-CZ3 3.86Å; L282-W299 HydrophobicContact CD2-CE3 3.72Å; L282-W299 HydrophobicContact CD2-CZ3 4.04Å; P285-W299 HydrophobicContact CB-CD2 3.89Å; P285-W299 HydrophobicContact CB-CE3 4.12Å; P285-W299 HydrophobicContact CB-CG 4.35Å; P285-W299 HydrophobicContact CB-CZ2 4.39Å; P285-W299 HydrophobicContact CB-CZ3 4.49Å; P285-W299 HydrophobicContact CG-CD2 4.07Å; P285-W299 HydrophobicContact CG-CE3 3.77Å; P285-W299 HydrophobicContact CG-CZ3 4.03Å; I286-W299 HydrophobicContact CD1-CB 4.41Å; I286-W299 HydrophobicContact CG1-CB 3.64Å; G295-W299 PolarHBondContact O-N 3.46Å; W299-T301 VanDerWaalsContact C-N 3.3Å; W299-T301 PolarHBondContact O-N 3.02Å; W299-V302 PolarHBondContact O-N 3.2Å; W299-Y303 PolarHBondContact O-N 3.16Å
300L89Confident78.5Confident27 Ų2752.3 Ų52.314%0.14130%0.302CS..Hα-helixtrans-66.5-33177.2-165.569.4000112.1I286 E296 E298 Y303 N304 Q350 M351 L354I286-L300 HydrophobicContact CG2-CD1 4.26Å; E296-L300 WeakPolarHBondContact O-CB 3.34Å; E296-L300 PolarHBondContact O-N 3.46Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 2.57Å; L300-Y303 HydrophobicContact CD1-CD1 4.08Å; L300-Y303 PolarHBondContact O-N 3.07Å; L300-N304 PolarHBondContact O-N 3.48Å; L300-Q350 HydrophobicContact CD2-CB 4.14Å; L300-M351 HydrophobicContact CD1-CG 3.8Å; L300-L354 HydrophobicContact CD1-CD1 3.68Å; L300-L354 HydrophobicContact CD2-CD1 3.85Å; L300-L354 HydrophobicContact CG-CD1 3.5Å; L300-L354 VanDerWaalsContact CG-CD1 3.5Å
301T91.3Very high80Confident84 Ų8449.2 Ų49.252%0.51528%0.283SS..Hα-helixtrans-65.7-44.5174.3-61.10000111.5S297 E298 W299 N304 R305S297-T301 WeakPolarHBondContact O-CB 3.49Å; S297-T301 PolarHBondContact O-N 2.76Å; S297-T301 PolarHBondContact O-OG1 2.89Å; E298-T301 WeakPolarHBondContact O-CB 3.19Å; E298-T301 PolarHBondContact O-N 2.9Å; E298-T301 VanDerWaalsContact O-N 3.12Å; W299-T301 VanDerWaalsContact C-N 3.3Å; W299-T301 PolarHBondContact O-N 3.02Å; T301-N304 PolarHBondContact O-N 3.12Å; T301-R305 PolarHBondContact O-N 3.45Å
302V92.6Very high81.9Confident3 Ų341.3 Ų41.32%0.01825%0.248CC..Hα-helixtrans-65.4-40.1175.6174.90000111.2L256 L259 N260 L263 L282 E298 W299 R305 L306L256-V302 HydrophobicContact CD1-CB 4.09Å; L256-V302 HydrophobicContact CD1-CG2 3.52Å; L256-V302 HydrophobicContact CG-CG2 4.4Å; L259-V302 HydrophobicContact CD2-CG1 3.73Å; L259-V302 HydrophobicContact CG-CG1 3.73Å; N260-V302 HydrophobicContact CB-CG2 3.78Å; L263-V302 HydrophobicContact CD1-CG1 3.72Å; L282-V302 HydrophobicContact CD1-CG1 4.25Å; L282-V302 HydrophobicContact CD2-CB 4.5Å; L282-V302 HydrophobicContact CD2-CG1 4Å; E298-V302 PolarHBondContact O-N 3.22Å; W299-V302 PolarHBondContact O-N 3.2Å; V302-R305 WeakPolarHBondContact O-CB 3.14Å; V302-R305 PolarHBondContact O-N 3.5Å; V302-L306 PolarHBondContact O-N 3.2Å
303Y94.3Very high83.3Confident0 Ų039.5 Ų39.50%022%0.218CC..Hα-helixtrans-58.4-46.8170.7165-98.1000112.1L279 I286 W299 L300 R305 L306 V307 F325 L329 M351 L354L279-Y303 HydrophobicContact CD1-CD2 4.12Å; L279-Y303 HydrophobicContact CD1-CE2 3.83Å; I286-Y303 HydrophobicContact CD1-CG 4.19Å; W299-Y303 PolarHBondContact O-N 3.16Å; L300-Y303 HydrophobicContact CD1-CD1 4.08Å; L300-Y303 PolarHBondContact O-N 3.07Å; Y303-R305 VanDerWaalsContact C-N 3.25Å; Y303-R305 PolarHBondContact O-N 2.54Å; Y303-L306 WeakPolarHBondContact O-CA 3.45Å; Y303-L306 WeakPolarHBondContact O-CB 3.47Å; Y303-L306 PolarHBondContact O-N 3.38Å; Y303-V307 HydrophobicContact CD1-CG2 4.15Å; Y303-V307 HydrophobicContact CD2-CG2 4.19Å; Y303-V307 HydrophobicContact CE1-CG2 3.64Å; Y303-V307 HydrophobicContact CE2-CG2 3.68Å; Y303-V307 HydrophobicContact CG-CG2 4.41Å; Y303-V307 WeakPolarHBondContact O-CG2 3.45Å; Y303-V307 PolarHBondContact O-N 3.3Å; Y303-F325 HydrophobicContact CE2-CZ 4.46Å; Y303-L329 HydrophobicContact CE2-CD1 4.1Å; Y303-L329 WeakPolarHBondContact OH-CD2 3.31Å; Y303-M351 HydrophobicContact CD1-CE 4.48Å; Y303-M351 HydrophobicContact CD1-CG 4.3Å; Y303-M351 HydrophobicContact CD2-CE 3.64Å; Y303-M351 HydrophobicContact CE1-CB 3.84Å; Y303-M351 HydrophobicContact CE1-CE 4.39Å; Y303-M351 HydrophobicContact CE1-CG 4.09Å; Y303-M351 WeakPolarHBondContact CE1-O 3.49Å; Y303-M351 HydrophobicContact CE2-CE 3.53Å; Y303-M351 HydrophobicContact CG-CE 4.12Å; Y303-M351 PolarHBondContact OH-O 3.41Å; Y303-L354 HydrophobicContact CD1-CD1 4.15Å; Y303-L354 HydrophobicContact CE1-CB 4.16Å; Y303-L354 HydrophobicContact CE1-CD1 4.29Å
304N94.1Very high84.8Confident42 Ų4243 Ų4323%0.22524%0.238CC..Hα-helixtrans-59.5-38.3178.3-169.954.5000111.9L300 T301 V307 E308 L354L300-N304 PolarHBondContact O-N 3.48Å; T301-N304 PolarHBondContact O-N 3.12Å; N304-V307 WeakPolarHBondContact O-CB 3.36Å; N304-V307 PolarHBondContact O-N 3.39Å; N304-E308 WeakPolarHBondContact O-CG 3.37Å; N304-E308 PolarHBondContact O-N 2.97Å; N304-L354 HydrophobicContact CB-CD1 4.29Å
305R93.3Very high86.5Confident80 Ų8042.5 Ų42.530%0.30223%0.233SC..Hα-helixtrans-63.1-43.2173.5-17569.273-146.4-1.9111.8L263 H264 T301 V302 Y303 V307 E308 V309L263-R305 HydrophobicContact CB-CG 3.85Å; L263-R305 HydrophobicContact CD1-CB 4.13Å; L263-R305 HydrophobicContact CD1-CG 4.1Å; H264-R305 PolarHBondContact CE1-NE 3.19Å; H264-R305 PolarHBondContact CE1-NH2 3.02Å; H264-R305 PolarHBondContact NE2-NE 3.07Å; H264-R305 VanDerWaalsContact NE2-NE 3.14Å; H264-R305 PolarHBondContact NE2-NH2 3.27Å; T301-R305 PolarHBondContact O-N 3.45Å; V302-R305 WeakPolarHBondContact O-CB 3.14Å; V302-R305 PolarHBondContact O-N 3.5Å; Y303-R305 VanDerWaalsContact C-N 3.25Å; Y303-R305 PolarHBondContact O-N 2.54Å; R305-V307 VanDerWaalsContact C-N 3.33Å; R305-V307 PolarHBondContact O-N 2.85Å; R305-E308 IonicContact CZ-OE2 2.66Å; R305-E308 IonicContact NH1-OE2 3.52Å; R305-E308 PolarHBondContact NH1-OE2 3.31Å; R305-E308 PolarHBondContact O-N 3.23Å; R305-V309 WeakPolarHBondContact O-CG2 3.37Å; R305-V309 PolarHBondContact O-N 3.42Å
306L94.9Very high87.9Confident0 Ų044.1 Ų44.10%025%0.251CS..Hα-helixtrans-58.9-46.5174.3176.867.1000110.7L263 V271 I278 L279 L282 V302 Y303 E308 V309 M310 F325L263-L306 HydrophobicContact CD1-CB 4.35Å; L263-L306 HydrophobicContact CD2-CD1 4.37Å; V271-L306 HydrophobicContact CG1-CD1 4.25Å; I278-L306 HydrophobicContact CB-CD1 4.25Å; I278-L306 HydrophobicContact CB-CD2 4.1Å; I278-L306 HydrophobicContact CD1-CD1 4.3Å; I278-L306 HydrophobicContact CG2-CD1 4.2Å; I278-L306 HydrophobicContact CG2-CD2 3.86Å; L279-L306 HydrophobicContact CB-CD2 4.11Å; L282-L306 HydrophobicContact CD1-CB 4.42Å; L282-L306 HydrophobicContact CD1-CD2 3.98Å; V302-L306 PolarHBondContact O-N 3.2Å; Y303-L306 WeakPolarHBondContact O-CA 3.45Å; Y303-L306 WeakPolarHBondContact O-CB 3.47Å; Y303-L306 PolarHBondContact O-N 3.38Å; L306-E308 VanDerWaalsContact C-N 3.35Å; L306-E308 PolarHBondContact O-N 3.27Å; L306-V309 PolarHBondContact O-N 2.85Å; L306-V309 VanDerWaalsContact O-N 3.16Å; L306-M310 HydrophobicContact CD1-CG 4.02Å; L306-M310 HydrophobicContact CD1-SD 4.33Å; L306-M310 HydrophobicContact CG-CG 4.17Å; L306-M310 VanDerWaalsContact O-CG 3.27Å; L306-M310 WeakPolarHBondContact O-CG 3.37Å; L306-M310 PolarHBondContact O-N 2.88Å; L306-F325 HydrophobicContact CD2-CE2 4.15Å; L306-F325 HydrophobicContact CD2-CZ 4.34Å; L306-F325 HydrophobicContact CG-CE2 4.36Å; L306-F325 HydrophobicContact CG-CZ 4.46Å
307V94.7Very high89.2Confident0 Ų043.3 Ų43.30%025%0.254CS..Hα-helixtrans-55.2-50.3176.6176.90000110.2Y303 N304 R305 V309 M310 F311 F325 A355 C358Y303-V307 HydrophobicContact CD1-CG2 4.15Å; Y303-V307 HydrophobicContact CD2-CG2 4.19Å; Y303-V307 HydrophobicContact CE1-CG2 3.64Å; Y303-V307 HydrophobicContact CE2-CG2 3.68Å; Y303-V307 HydrophobicContact CG-CG2 4.41Å; Y303-V307 WeakPolarHBondContact O-CG2 3.45Å; Y303-V307 PolarHBondContact O-N 3.3Å; N304-V307 WeakPolarHBondContact O-CB 3.36Å; N304-V307 PolarHBondContact O-N 3.39Å; R305-V307 VanDerWaalsContact C-N 3.33Å; R305-V307 PolarHBondContact O-N 2.85Å; V307-V309 VanDerWaalsContact C-N 3.3Å; V307-V309 PolarHBondContact O-N 3.33Å; V307-M310 PolarHBondContact O-N 3.01Å; V307-F311 HydrophobicContact CG1-CD2 3.74Å; V307-F311 HydrophobicContact CG1-CE2 3.78Å; V307-F311 WeakPolarHBondContact O-CB 3.31Å; V307-F311 WeakPolarHBondContact O-CD2 3.34Å; V307-F311 PolarHBondContact O-N 2.84Å; V307-F325 HydrophobicContact CG2-CE1 4.03Å; V307-F325 HydrophobicContact CG2-CZ 4.26Å; V307-A355 HydrophobicContact CG1-CB 4.17Å; V307-C358 WeakPolarHBondContact CG1-SG 3.32Å
308E92.6Very high90Very high61 Ų6143.6 Ų43.629%0.28525%0.25SC..Hα-helixtrans-56.5-41.6177.7-72.6176.1175.600112.8N304 R305 L306 F311 F312N304-E308 WeakPolarHBondContact O-CG 3.37Å; N304-E308 PolarHBondContact O-N 2.97Å; R305-E308 IonicContact CZ-OE2 2.66Å; R305-E308 IonicContact NH1-OE2 3.52Å; R305-E308 PolarHBondContact NH1-OE2 3.31Å; R305-E308 PolarHBondContact O-N 3.23Å; L306-E308 VanDerWaalsContact C-N 3.35Å; L306-E308 PolarHBondContact O-N 3.27Å; E308-F311 PolarHBondContact O-N 3.39Å; E308-F312 PolarHBondContact O-N 3.09Å
309V92.6Very high90.1Very high5 Ų539.6 Ų39.63%0.0323%0.232CC..Hα-helixtrans-68.3-41178.6172.80000111.6R268 V271 R272 R305 L306 V307 F311R268-V309 HydrophobicContact CB-CG1 3.94Å; R268-V309 HydrophobicContact CG-CG1 4.06Å; R268-V309 HydrophobicContact CG-CG2 4.31Å; V271-V309 HydrophobicContact CB-CG1 3.8Å; V271-V309 HydrophobicContact CG1-CB 4.41Å; V271-V309 HydrophobicContact CG1-CG1 3.63Å; R272-V309 HydrophobicContact CG-CG1 4.37Å; R272-V309 PolarHBondContact NE-O 3.49Å; R272-V309 PolarHBondContact NH2-O 3.44Å; R305-V309 WeakPolarHBondContact O-CG2 3.37Å; R305-V309 PolarHBondContact O-N 3.42Å; L306-V309 PolarHBondContact O-N 2.85Å; L306-V309 VanDerWaalsContact O-N 3.16Å; V307-V309 VanDerWaalsContact C-N 3.3Å; V307-V309 PolarHBondContact O-N 3.33Å; V309-F311 VanDerWaalsContact C-N 3.29Å; V309-F311 PolarHBondContact O-N 3.16Å
310M94.5Very high90.1Very high11 Ų1147.5 Ų47.55%0.05427%0.27CS..Hα-helixtrans-67.6-32176.8-65.9-55.9-6100111.9R272 L306 V307 S319 D321 F325R272-M310 HydrophobicContact CB-SD 4.3Å; R272-M310 HydrophobicContact CG-CE 4.44Å; R272-M310 HydrophobicContact CG-SD 3.83Å; L306-M310 HydrophobicContact CD1-CG 4.02Å; L306-M310 HydrophobicContact CD1-SD 4.33Å; L306-M310 HydrophobicContact CG-CG 4.17Å; L306-M310 VanDerWaalsContact O-CG 3.27Å; L306-M310 WeakPolarHBondContact O-CG 3.37Å; L306-M310 PolarHBondContact O-N 2.88Å; V307-M310 PolarHBondContact O-N 3.01Å; M310-S319 WeakPolarHBondContact O-CB 3.31Å; M310-S319 PolarHBondContact O-OG 3.09Å; M310-D321 HydrophobicContact CE-CB 4.13Å; M310-F325 HydrophobicContact CB-CB 4.44Å; M310-F325 HydrophobicContact CB-CD1 4.31Å; M310-F325 HydrophobicContact CB-CD2 4.11Å; M310-F325 HydrophobicContact CB-CE2 4.41Å; M310-F325 HydrophobicContact CB-CG 4.03Å; M310-F325 HydrophobicContact CE-CB 4.18Å; M310-F325 HydrophobicContact CE-CD2 3.89Å; M310-F325 HydrophobicContact CE-CG 4.33Å; M310-F325 HydrophobicContact CG-CD2 3.64Å; M310-F325 HydrophobicContact CG-CE2 3.71Å; M310-F325 HydrophobicContact CG-CG 4.09Å; M310-F325 HydrophobicContact CG-CZ 4.26Å; M310-F325 HydrophobicContact SD-CD2 4.39Å
311F93.4Very high90Very high0 Ų049.5 Ų49.50%028%0.28CS..Hα-helixtrans-82.6-41.2-179-88-111.6000114V307 E308 V309 L318 S319 W322 F325 L326 C358 T359 S362V307-F311 HydrophobicContact CG1-CD2 3.74Å; V307-F311 HydrophobicContact CG1-CE2 3.78Å; V307-F311 WeakPolarHBondContact O-CB 3.31Å; V307-F311 WeakPolarHBondContact O-CD2 3.34Å; V307-F311 PolarHBondContact O-N 2.84Å; E308-F311 PolarHBondContact O-N 3.39Å; V309-F311 VanDerWaalsContact C-N 3.29Å; V309-F311 PolarHBondContact O-N 3.16Å; F311-L318 HydrophobicContact CD1-CD1 4.28Å; F311-L318 CarbonylContact O-C 3.44Å; F311-L318 WeakPolarHBondContact O-CA 3.26Å; F311-L318 WeakPolarHBondContact O-CD1 3.24Å; F311-S319 WeakPolarHBondContact O-CB 3.4Å; F311-S319 PolarHBondContact O-N 3.23Å; F311-W322 HydrophobicContact CB-CB 4.48Å; F311-W322 HydrophobicContact CD1-CB 3.92Å; F311-W322 HydrophobicContact CD1-CG 4.31Å; F311-W322 HydrophobicContact CD2-CB 3.88Å; F311-W322 HydrophobicContact CE1-CB 4.09Å; F311-W322 HydrophobicContact CE1-CD2 4.21Å; F311-W322 AromaticContact CE1-CE3 3.81Å; F311-W322 HydrophobicContact CE1-CE3 3.81Å; F311-W322 HydrophobicContact CE1-CG 4.33Å; F311-W322 HydrophobicContact CE2-CB 4.06Å; F311-W322 HydrophobicContact CG-CB 3.84Å; F311-W322 HydrophobicContact CZ-CB 4.18Å; F311-W322 AromaticContact CZ-CE3 3.97Å; F311-W322 HydrophobicContact CZ-CE3 3.97Å; F311-F325 HydrophobicContact CE2-CD1 4.24Å; F311-L326 HydrophobicContact CE2-CD2 4.08Å; F311-L326 HydrophobicContact CE2-CG 4.35Å; F311-L326 HydrophobicContact CZ-CD1 4.03Å; F311-L326 HydrophobicContact CZ-CD2 3.85Å; F311-L326 HydrophobicContact CZ-CG 3.94Å; F311-C358 HydrophobicContact CB-CB 4.36Å; F311-C358 HydrophobicContact CD1-CB 3.35Å; F311-C358 HydrophobicContact CE1-CB 3.6Å; F311-C358 HydrophobicContact CG-CB 3.83Å; F311-C358 HydrophobicContact CZ-CB 4.27Å; F311-T359 HydrophobicContact CD1-CG2 4Å; F311-T359 HydrophobicContact CE1-CG2 4.34Å; F311-S362 WeakPolarHBondContact CE1-OG 3.32Å
312F91.5Very high90.1Very high54 Ų5447.3 Ų47.324%0.23726%0.263CS..BIsolated β-bridgetrans-126.6131.5-168.6-59.5-71.3000112.6R268 R272 E308 G316 S317 L318 C358 T359R268-F312 WeakPolarHBondContact CD-O 3.46Å; R268-F312 PolarHBondContact NH1-O 2.92Å; R272-F312 PolarHBondContact NH2-O 2.94Å; E308-F312 PolarHBondContact O-N 3.09Å; F312-G316 WeakPolarHBondContact CD1-O 3.31Å; F312-S317 CarbonylContact C-O 3.58Å; F312-S317 VanDerWaalsContact CA-O 3.28Å; F312-S317 WeakPolarHBondContact CA-O 3.29Å; F312-L318 HydrophobicContact CE1-CD1 4.29Å; F312-C358 HydrophobicContact CE2-CB 4.15Å; F312-C358 HydrophobicContact CZ-CB 4.42Å; F312-C358 WeakPolarHBondContact CZ-O 3.36Å; F312-T359 HydrophobicContact CE1-CG2 4.2Å; F312-T359 HydrophobicContact CZ-CG2 3.95Å
313D85Confident90Very high48 Ų4849.6 Ų49.626%0.25728%0.279SS..  trans-70.4179.4174.770.914.2000112.7R268 A315 G316 S317R268-D313 PolarHBondContact NH1-O 3.28Å; D313-A315 PolarHBondContact O-N 2.76Å; D313-A315 VanDerWaalsContact OD1-C 3.3Å; D313-A315 VanDerWaalsContact OD1-CA 3.3Å; D313-A315 WeakPolarHBondContact OD1-CA 3.18Å; D313-A315 WeakPolarHBondContact OD1-CB 3.11Å; D313-A315 PolarHBondContact OD1-N 3.49Å; D313-G316 PolarHBondContact O-N 3.03Å; D313-G316 PolarHBondContact OD1-N 2.93Å; D313-S317 PolarHBondContact N-O 3.01Å; D313-S317 PolarHBondContact OD1-N 3.44Å; D313-S317 WeakPolarHBondContact OD2-CB 3.37Å
314D81.5Confident89.9Confident110 Ų11055.4 Ų55.459%0.58830%0.304SS*.THydrogen-bonded Turntrans-64.3-20.8-179.7-66.5-40.8000112.3R268 G316R268-D314 VanDerWaalsContact CB-OD1 3.31Å; R268-D314 WeakPolarHBondContact CB-OD1 3.24Å; R268-D314 WeakPolarHBondContact CD-OD1 3.44Å; R268-D314 WeakPolarHBondContact CG-OD1 3.19Å; R268-D314 IonicContact NE-OD1 2.75Å; D314-G316 VanDerWaalsContact C-N 3.33Å
315A83.1Confident89.9Confident86 Ų8653.6 Ų53.671%0.71129%0.294SS*.THydrogen-bonded Turntrans-86.5-2.9172.900000113D313 S317D313-A315 PolarHBondContact O-N 2.76Å; D313-A315 VanDerWaalsContact OD1-C 3.3Å; D313-A315 VanDerWaalsContact OD1-CA 3.3Å; D313-A315 WeakPolarHBondContact OD1-CA 3.18Å; D313-A315 WeakPolarHBondContact OD1-CB 3.11Å; D313-A315 PolarHBondContact OD1-N 3.49Å; A315-S317 VanDerWaalsContact C-N 3.29Å
316G83.2Confident89.9Confident48 Ų4849.9 Ų49.950%0.49528%0.28SS..SBendtrans78.19.3-175.400000114.3F312 D313 D314F312-G316 WeakPolarHBondContact CD1-O 3.31Å; D313-G316 PolarHBondContact O-N 3.03Å; D313-G316 PolarHBondContact OD1-N 2.93Å; D314-G316 VanDerWaalsContact C-N 3.33Å
317S87.3Confident89.9Confident66 Ų6655.6 Ų55.646%0.46231%0.307SS..PPolyproline II helixtrans-81.4151.4175.6-54.40000110.7F312 D313 A315 S319F312-S317 CarbonylContact C-O 3.58Å; F312-S317 VanDerWaalsContact CA-O 3.28Å; F312-S317 WeakPolarHBondContact CA-O 3.29Å; D313-S317 PolarHBondContact N-O 3.01Å; D313-S317 PolarHBondContact OD1-N 3.44Å; D313-S317 WeakPolarHBondContact OD2-CB 3.37Å; A315-S317 VanDerWaalsContact C-N 3.29Å; S317-S319 PolarHBondContact O-N 3.48Å
318L88.9Confident89.8Confident78 Ų7857.2 Ų57.241%0.40832%0.315SS..BIsolated β-bridgetrans-63.5126.6179.8-166.965.6000110.5F311 F312 W322 T359F311-L318 HydrophobicContact CD1-CD1 4.28Å; F311-L318 CarbonylContact O-C 3.44Å; F311-L318 WeakPolarHBondContact O-CA 3.26Å; F311-L318 WeakPolarHBondContact O-CD1 3.24Å; F312-L318 HydrophobicContact CE1-CD1 4.29Å; L318-W322 HydrophobicContact CD1-CG 4.07Å; L318-W322 HydrophobicContact CD2-CZ2 4.36Å; L318-W322 VanDerWaalsContact CD2-NE1 3.31Å; L318-W322 VanDerWaalsContact CG-CD1 3.48Å; L318-W322 HydrophobicContact CG-CG 4.38Å; L318-T359 HydrophobicContact CD1-CG2 3.61Å
319S87.3Confident89.8Confident11 Ų1154.3 Ų54.38%0.07730%0.302CS..PPolyproline II helixtrans-64.8163.7176.1-173.10000111.2M310 F311 S317 D321M310-S319 WeakPolarHBondContact O-CB 3.31Å; M310-S319 PolarHBondContact O-OG 3.09Å; F311-S319 WeakPolarHBondContact O-CB 3.4Å; F311-S319 PolarHBondContact O-N 3.23Å; S317-S319 PolarHBondContact O-N 3.48Å; S319-D321 VanDerWaalsContact C-N 3.32Å; S319-D321 PolarHBondContact OG-N 3.27Å
320E87.5Confident89.9Confident183 Ų18354.5 Ų54.586%0.85530%0.303SS*.SBendtrans-81.8-17.5167.3-65-176.5173.600111.7
321D87.3Confident89.8Confident69 Ų6956.8 Ų56.837%0.36932%0.324SS..SBendtrans-85.8-13.7-171.4-65.2-50.5000114.8M310 S319 S323 K324 F325M310-D321 HydrophobicContact CE-CB 4.13Å; S319-D321 VanDerWaalsContact C-N 3.32Å; S319-D321 PolarHBondContact OG-N 3.27Å; D321-S323 VanDerWaalsContact C-N 3.33Å; D321-S323 PolarHBondContact O-N 2.86Å; D321-K324 PolarHBondContact O-N 3.29Å; D321-F325 WeakPolarHBondContact O-CB 3.25Å; D321-F325 PolarHBondContact O-N 2.93Å
322W91.7Very high89.5Confident39 Ų3959.6 Ų59.615%0.14834%0.339CS..Hα-helixtrans-63.3-38.5-171.373.7-92.3000112.5F311 L318 F325 L326 D361F311-W322 HydrophobicContact CB-CB 4.48Å; F311-W322 HydrophobicContact CD1-CB 3.92Å; F311-W322 HydrophobicContact CD1-CG 4.31Å; F311-W322 HydrophobicContact CD2-CB 3.88Å; F311-W322 HydrophobicContact CE1-CB 4.09Å; F311-W322 HydrophobicContact CE1-CD2 4.21Å; F311-W322 AromaticContact CE1-CE3 3.81Å; F311-W322 HydrophobicContact CE1-CE3 3.81Å; F311-W322 HydrophobicContact CE1-CG 4.33Å; F311-W322 HydrophobicContact CE2-CB 4.06Å; F311-W322 HydrophobicContact CG-CB 3.84Å; F311-W322 HydrophobicContact CZ-CB 4.18Å; F311-W322 AromaticContact CZ-CE3 3.97Å; F311-W322 HydrophobicContact CZ-CE3 3.97Å; L318-W322 HydrophobicContact CD1-CG 4.07Å; L318-W322 HydrophobicContact CD2-CZ2 4.36Å; L318-W322 VanDerWaalsContact CD2-NE1 3.31Å; L318-W322 VanDerWaalsContact CG-CD1 3.48Å; L318-W322 HydrophobicContact CG-CG 4.38Å; W322-F325 WeakPolarHBondContact O-CB 2.86Å; W322-F325 PolarHBondContact O-N 3.34Å; W322-L326 HydrophobicContact CE3-CD1 3.64Å; W322-L326 HydrophobicContact CE3-CG 4.18Å; W322-L326 HydrophobicContact CZ3-CD1 3.58Å; W322-L326 WeakPolarHBondContact O-CG 3.4Å; W322-L326 PolarHBondContact O-N 3.47Å; W322-D361 HydrophobicContact CH2-CB 3.83Å; W322-D361 HydrophobicContact CZ2-CB 4.26Å
323S91.1Very high89.5Confident51 Ų5157 Ų5736%0.35733%0.327SS..Hα-helixtrans-66.6-46.6-178.356.90000110.6D321 F325 L326 E327D321-S323 VanDerWaalsContact C-N 3.33Å; D321-S323 PolarHBondContact O-N 2.86Å; S323-F325 VanDerWaalsContact C-N 3.31Å; S323-F325 PolarHBondContact O-N 2.9Å; S323-L326 PolarHBondContact O-N 3.11Å; S323-L326 VanDerWaalsContact O-N 3.15Å; S323-E327 PolarHBondContact O-N 3.32Å
324K92.4Very high89.6Confident122 Ų12258.5 Ų58.553%0.5333%0.333SS..Hα-helixtrans-61.5-39.2173.4-173-179.3176.9-171.60111.8D321 L326 E327 I328D321-K324 PolarHBondContact O-N 3.29Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 2.76Å; K324-E327 PolarHBondContact O-N 3.38Å; K324-I328 HydrophobicContact CG-CD1 4.33Å; K324-I328 WeakPolarHBondContact O-CG1 3.35Å; K324-I328 PolarHBondContact O-N 2.76Å; K324-I328 VanDerWaalsContact O-N 3.07Å
325F93.5Very high89.7Confident4 Ų460.8 Ų60.82%0.01834%0.338CS..Hα-helixtrans-61-42.2174.2178.1-94000111.8L279 Y303 L306 V307 M310 F311 D321 W322 S323 I328 L329L279-F325 HydrophobicContact CB-CE2 4.06Å; L279-F325 HydrophobicContact CD1-CE2 4.18Å; L279-F325 HydrophobicContact CD1-CZ 3.98Å; L279-F325 HydrophobicContact CD2-CD2 4.17Å; L279-F325 HydrophobicContact CD2-CE2 3.69Å; L279-F325 HydrophobicContact CD2-CZ 4.07Å; L279-F325 HydrophobicContact CG-CE2 4.19Å; L279-F325 HydrophobicContact CG-CZ 4.46Å; Y303-F325 HydrophobicContact CE2-CZ 4.46Å; L306-F325 HydrophobicContact CD2-CE2 4.15Å; L306-F325 HydrophobicContact CD2-CZ 4.34Å; L306-F325 HydrophobicContact CG-CE2 4.36Å; L306-F325 HydrophobicContact CG-CZ 4.46Å; V307-F325 HydrophobicContact CG2-CE1 4.03Å; V307-F325 HydrophobicContact CG2-CZ 4.26Å; M310-F325 HydrophobicContact CB-CB 4.44Å; M310-F325 HydrophobicContact CB-CD1 4.31Å; M310-F325 HydrophobicContact CB-CD2 4.11Å; M310-F325 HydrophobicContact CB-CE2 4.41Å; M310-F325 HydrophobicContact CB-CG 4.03Å; M310-F325 HydrophobicContact CE-CB 4.18Å; M310-F325 HydrophobicContact CE-CD2 3.89Å; M310-F325 HydrophobicContact CE-CG 4.33Å; M310-F325 HydrophobicContact CG-CD2 3.64Å; M310-F325 HydrophobicContact CG-CE2 3.71Å; M310-F325 HydrophobicContact CG-CG 4.09Å; M310-F325 HydrophobicContact CG-CZ 4.26Å; M310-F325 HydrophobicContact SD-CD2 4.39Å; F311-F325 HydrophobicContact CE2-CD1 4.24Å; D321-F325 WeakPolarHBondContact O-CB 3.25Å; D321-F325 PolarHBondContact O-N 2.93Å; W322-F325 WeakPolarHBondContact O-CB 2.86Å; W322-F325 PolarHBondContact O-N 3.34Å; S323-F325 VanDerWaalsContact C-N 3.31Å; S323-F325 PolarHBondContact O-N 2.9Å; F325-I328 PolarHBondContact O-N 2.69Å; F325-L329 WeakPolarHBondContact O-CB 3.42Å; F325-L329 PolarHBondContact O-N 3.09Å
326L94.4Very high89.6Confident1 Ų157.9 Ų57.91%0.00531%0.309CS..Hα-helixtrans-66.9-36.4175.2-69.1-171.8000113.3F311 W322 S323 K324 I328 L329 T330 A355 F365 L366F311-L326 HydrophobicContact CE2-CD2 4.08Å; F311-L326 HydrophobicContact CE2-CG 4.35Å; F311-L326 HydrophobicContact CZ-CD1 4.03Å; F311-L326 HydrophobicContact CZ-CD2 3.85Å; F311-L326 HydrophobicContact CZ-CG 3.94Å; W322-L326 HydrophobicContact CE3-CD1 3.64Å; W322-L326 HydrophobicContact CE3-CG 4.18Å; W322-L326 HydrophobicContact CZ3-CD1 3.58Å; W322-L326 WeakPolarHBondContact O-CG 3.4Å; W322-L326 PolarHBondContact O-N 3.47Å; S323-L326 PolarHBondContact O-N 3.11Å; S323-L326 VanDerWaalsContact O-N 3.15Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 2.76Å; L326-I328 VanDerWaalsContact C-N 3.33Å; L326-L329 HydrophobicContact CD2-CD2 4.13Å; L326-L329 PolarHBondContact O-N 3.43Å; L326-T330 WeakPolarHBondContact O-CB 3.42Å; L326-T330 WeakPolarHBondContact O-CG2 3.21Å; L326-T330 PolarHBondContact O-N 3.02Å; L326-T330 PolarHBondContact O-OG1 3.37Å; L326-A355 HydrophobicContact CD2-CB 3.83Å; L326-F365 HydrophobicContact CB-CD1 4.44Å; L326-F365 HydrophobicContact CB-CE1 4.12Å; L326-F365 HydrophobicContact CD1-CD1 3.97Å; L326-F365 HydrophobicContact CD1-CE1 4.46Å; L326-L366 HydrophobicContact CD1-CD1 4.42Å; L326-L366 HydrophobicContact CD1-CG 4.34Å; L326-L366 HydrophobicContact CD2-CD1 4.04Å; L326-L366 HydrophobicContact CD2-CD2 4.48Å
327E93.5Very high89.5Confident120 Ų12055.6 Ų55.656%0.56129%0.285SS*.Hα-helixtrans-60.8-44.1173.7-72.2178.1178.400111.1S323 K324 T330 A331S323-E327 PolarHBondContact O-N 3.32Å; K324-E327 PolarHBondContact O-N 3.38Å; E327-T330 PolarHBondContact O-OG1 2.92Å; E327-A331 VanDerWaalsContact O-CB 3.26Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.26Å
328I92.7Very high88.9Confident34 Ų3455 Ų5517%0.17428%0.275CS..Hα-helixtrans-64.6-49176.1-64165.3000110.4E276 L279 K324 F325 L326 T330 A331 D332E276-I328 HydrophobicContact CG-CD1 4.22Å; L279-I328 HydrophobicContact CD2-CG2 3.95Å; K324-I328 HydrophobicContact CG-CD1 4.33Å; K324-I328 WeakPolarHBondContact O-CG1 3.35Å; K324-I328 PolarHBondContact O-N 2.76Å; K324-I328 VanDerWaalsContact O-N 3.07Å; F325-I328 PolarHBondContact O-N 2.69Å; L326-I328 VanDerWaalsContact C-N 3.33Å; I328-T330 PolarHBondContact O-N 2.78Å; I328-A331 PolarHBondContact O-N 3.25Å; I328-D332 PolarHBondContact O-N 2.95Å
329L94Very high88Confident0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-57.3-49.6179.3177.969.7000111.7L279 Y303 F325 L326 A331 D332 L333 M351 L352 A355L279-L329 HydrophobicContact CD1-CD1 4.1Å; L279-L329 HydrophobicContact CD2-CB 4.38Å; Y303-L329 HydrophobicContact CE2-CD1 4.1Å; Y303-L329 WeakPolarHBondContact OH-CD2 3.31Å; F325-L329 WeakPolarHBondContact O-CB 3.42Å; F325-L329 PolarHBondContact O-N 3.09Å; L326-L329 HydrophobicContact CD2-CD2 4.13Å; L326-L329 PolarHBondContact O-N 3.43Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-A331 PolarHBondContact O-N 3.33Å; L329-D332 PolarHBondContact O-N 3.47Å; L329-L333 HydrophobicContact CD1-CD1 3.61Å; L329-L333 HydrophobicContact CD1-CG 4.02Å; L329-L333 HydrophobicContact CG-CD1 3.94Å; L329-L333 HydrophobicContact CG-CG 4.43Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 2.63Å; L329-M351 HydrophobicContact CD1-CE 4.22Å; L329-L352 HydrophobicContact CD2-CD2 4.23Å; L329-L352 HydrophobicContact CG-CD2 4.44Å; L329-A355 HydrophobicContact CD2-CB 3.89Å
330T93.9Very high87Confident9 Ų953.9 Ų53.96%0.05527%0.273CS..Hα-helixtrans-68-35-178.552.60000112.2L326 E327 I328 Q334 L352 F365 L366 W369L326-T330 WeakPolarHBondContact O-CB 3.42Å; L326-T330 WeakPolarHBondContact O-CG2 3.21Å; L326-T330 PolarHBondContact O-N 3.02Å; L326-T330 PolarHBondContact O-OG1 3.37Å; E327-T330 PolarHBondContact O-OG1 2.92Å; I328-T330 PolarHBondContact O-N 2.78Å; T330-Q334 WeakPolarHBondContact O-CB 3.5Å; T330-Q334 PolarHBondContact O-N 2.78Å; T330-L352 HydrophobicContact CG2-CD2 4.14Å; T330-F365 HydrophobicContact CG2-CE1 4.27Å; T330-L366 HydrophobicContact CG2-CD2 3.49Å; T330-L366 VanDerWaalsContact CG2-CD2 3.49Å; T330-W369 HydrophobicContact CG2-CD2 4.12Å; T330-W369 HydrophobicContact CG2-CG 4.3Å; T330-W369 HydrophobicContact CG2-CZ2 4.36Å
331A92.3Very high85.7Confident60 Ų6051.6 Ų51.650%0.49626%0.263SS..Hα-helixtrans-63.7-4317300000112.3E327 I328 L329E327-A331 VanDerWaalsContact O-CB 3.26Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.26Å; I328-A331 PolarHBondContact O-N 3.25Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-A331 PolarHBondContact O-N 3.33Å
332D87.7Confident84.4Confident58 Ų5852.6 Ų52.631%0.3127%0.267SS..Hα-helixtrans-69.3-41.3178.3-78.7-10.5000111.8I328 L329I328-D332 PolarHBondContact O-N 2.95Å; L329-D332 PolarHBondContact O-N 3.47Å
333L90.1Very high83.2Confident0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-81.6-18.2-176-66.6-173.1000114.6V283 L287 L329 K335 F336 Y337 A348 M351 L352V283-L333 HydrophobicContact CG1-CD2 4.42Å; L287-L333 HydrophobicContact CD1-CD2 3.99Å; L287-L333 HydrophobicContact CD2-CD2 4.14Å; L287-L333 HydrophobicContact CG-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CD1 3.61Å; L329-L333 HydrophobicContact CD1-CG 4.02Å; L329-L333 HydrophobicContact CG-CD1 3.94Å; L329-L333 HydrophobicContact CG-CG 4.43Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 2.63Å; L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 2.88Å; L333-K335 VanDerWaalsContact O-N 3.16Å; L333-F336 PolarHBondContact O-N 3.25Å; L333-Y337 PolarHBondContact O-N 3.18Å; L333-A348 HydrophobicContact CD2-CB 4.2Å; L333-M351 HydrophobicContact CD1-CB 3.91Å; L333-M351 HydrophobicContact CD1-SD 4.39Å; L333-M351 HydrophobicContact CD2-SD 4.11Å; L333-L352 HydrophobicContact CD1-CD2 3.92Å; L333-L352 HydrophobicContact CD1-CG 3.88Å
334Q88.5Confident82.5Confident80 Ų8051.4 Ų51.437%0.37428%0.275SS..Hα-helixtrans-51.5-44.9-176-178.6167.6-24.700112.2T330 F336 Y337 H338 W369T330-Q334 WeakPolarHBondContact O-CB 3.5Å; T330-Q334 PolarHBondContact O-N 2.78Å; Q334-F336 PolarHBondContact O-N 2.81Å; Q334-Y337 PolarHBondContact O-N 3.43Å; Q334-H338 WeakPolarHBondContact CG-NE2 3.35Å; Q334-H338 PolarHBondContact NE2-NE2 3.36Å; Q334-H338 PolarHBondContact O-CD2 3.46Å; Q334-H338 PolarHBondContact O-N 2.86Å; Q334-W369 HydrophobicContact CB-CZ2 4.07Å; Q334-W369 HydrophobicContact CG-CZ2 4.43Å
335K82.5Confident82Confident158 Ų15846 Ų4669%0.68725%0.252SS*.Hα-helixtrans-62.1-28.6-178.1-64177.6-175.1170.50113.5L333L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 2.88Å; L333-K335 VanDerWaalsContact O-N 3.16Å
336F81.8Confident81.4Confident25 Ų2551.2 Ų51.211%0.1128%0.276CS..Hα-helixtrans-86.4-40.3-179.8-57.1-71.6000110.7L287 W288 L333 Q334 H338 C339 L342 V345 A348L287-F336 HydrophobicContact CD1-CD1 4.16Å; L287-F336 HydrophobicContact CD1-CD2 3.35Å; L287-F336 HydrophobicContact CD1-CE1 4.27Å; L287-F336 HydrophobicContact CD1-CE2 3.46Å; L287-F336 VanDerWaalsContact CD1-CE2 3.46Å; L287-F336 HydrophobicContact CD1-CG 3.74Å; L287-F336 HydrophobicContact CD1-CZ 3.96Å; W288-F336 AromaticContact CH2-CE1 3.52Å; W288-F336 HydrophobicContact CH2-CE1 3.52Å; W288-F336 HydrophobicContact CH2-CE2 4.2Å; W288-F336 AromaticContact CH2-CZ 3.22Å; W288-F336 HydrophobicContact CH2-CZ 3.22Å; W288-F336 HydrophobicContact CZ2-CD1 4.29Å; W288-F336 AromaticContact CZ2-CE1 3.2Å; W288-F336 HydrophobicContact CZ2-CE1 3.2Å; W288-F336 AromaticContact CZ2-CZ 3.45Å; W288-F336 HydrophobicContact CZ2-CZ 3.45Å; W288-F336 VanDerWaalsContact CZ2-CZ 3.45Å; W288-F336 HydrophobicContact CZ3-CZ 4.24Å; L333-F336 PolarHBondContact O-N 3.25Å; Q334-F336 PolarHBondContact O-N 2.81Å; F336-H338 PolarHBondContact O-N 3.43Å; F336-H338 VanDerWaalsContact O-N 3.12Å; F336-C339 PolarHBondContact O-N 2.7Å; F336-L342 HydrophobicContact CD1-CD1 3.99Å; F336-L342 HydrophobicContact CE1-CD1 4.39Å; F336-V345 WeakPolarHBondContact O-CG2 3.3Å; F336-A348 HydrophobicContact CB-CB 3.97Å
337Y81.5Confident80.9Confident0 Ų052.3 Ų52.30%028%0.282CS..Hα-helixtrans-64.2-20.6-178.1-151-97.5000113.9L333 Q334 H349 L352 W369 A370 R373 I374L333-Y337 PolarHBondContact O-N 3.18Å; Q334-Y337 PolarHBondContact O-N 3.43Å; Y337-H349 HydrophobicContact CE2-CB 3.79Å; Y337-H349 AromaticContact CE2-ND1 3.58Å; Y337-H349 AromaticContact CZ-ND1 3.72Å; Y337-H349 PolarHBondContact OH-ND1 2.88Å; Y337-L352 HydrophobicContact CD2-CD1 3.68Å; Y337-L352 HydrophobicContact CE2-CD1 3.71Å; Y337-L352 HydrophobicContact CG-CD1 4.45Å; Y337-W369 HydrophobicContact CD1-CH2 4.38Å; Y337-W369 AromaticContact CD1-CZ3 3.91Å; Y337-W369 HydrophobicContact CD1-CZ3 3.91Å; Y337-W369 HydrophobicContact CD2-CZ3 4.37Å; Y337-W369 HydrophobicContact CE1-CZ3 4.34Å; Y337-W369 HydrophobicContact CG-CH2 4.17Å; Y337-W369 AromaticContact CG-CZ3 3.93Å; Y337-W369 HydrophobicContact CG-CZ3 3.93Å; Y337-A370 HydrophobicContact CE1-CB 4.31Å; Y337-R373 HydrophobicContact CD1-CB 4.36Å; Y337-I374 HydrophobicContact CE1-CG1 4.16Å
338H74.9Confident80.8Confident52 Ų5246.6 Ų46.624%0.24126%0.255CS..THydrogen-bonded Turntrans-83.2-19.9177.3-73-69.3000115.6Q334 F336 P340 N377 Y388Q334-H338 WeakPolarHBondContact CG-NE2 3.35Å; Q334-H338 PolarHBondContact NE2-NE2 3.36Å; Q334-H338 PolarHBondContact O-CD2 3.46Å; Q334-H338 PolarHBondContact O-N 2.86Å; F336-H338 PolarHBondContact O-N 3.43Å; F336-H338 VanDerWaalsContact O-N 3.12Å; H338-P340 WeakPolarHBondContact O-CD 3.25Å; H338-N377 PolarHBondContact ND1-ND2 3.1Å; H338-N377 PolarHBondContact ND1-OD1 3.44Å; H338-Y388 PolarHBondContact O-OH 3.16Å
339C69.5Low80.7Confident48 Ų4845.1 Ų45.132%0.32425%0.247SC..  trans-127.483.8-167-68.70000111.7F336 E341 L342 V345F336-C339 PolarHBondContact O-N 2.7Å; C339-E341 PolarHBondContact O-N 2.82Å; C339-L342 HydrophobicContact CB-CD1 3.72Å; C339-L342 HydrophobicContact CB-CG 3.87Å; C339-L342 WeakPolarHBondContact O-CB 3.49Å; C339-L342 PolarHBondContact O-N 3.48Å; C339-V345 WeakPolarHBondContact O-CG2 3.42Å
340P66Low80.5Confident19 Ų1947.4 Ų47.412%0.12326%0.258CS..G310 helixtrans-47.3-31.3175.5-27.835.5000113H338 L342 G343 N384 Y388H338-P340 WeakPolarHBondContact O-CD 3.25Å; P340-L342 PolarHBondContact O-N 3.21Å; P340-G343 PolarHBondContact O-N 3.4Å; P340-N384 HydrophobicContact CB-CB 4.02Å; P340-N384 HydrophobicContact CG-CB 3.73Å; P340-Y388 WeakPolarHBondContact CD-OH 3.46Å; P340-Y388 HydrophobicContact CG-CE1 3.98Å; P340-Y388 HydrophobicContact CG-CE2 4.05Å; P340-Y388 VanDerWaalsContact CG-CZ 3.47Å; P340-Y388 WeakPolarHBondContact CG-OH 3.34Å
341E60.4Low80.4Confident135 Ų13547 Ų4763%0.63126%0.255SS*.G310 helixtrans-64.2-20.6-178.7-54.983.6-164.800113.9C339 G343 N384C339-E341 PolarHBondContact O-N 2.82Å; E341-G343 PolarHBondContact O-N 3.28Å; E341-N384 PolarHBondContact OE1-ND2 2.85Å
342L60.6Low80.5Confident89 Ų8944.2 Ų44.247%0.46623%0.232SC..G310 helixtrans-73.3-10.2-179.4-67.7174.6000113.1F336 C339 P340 S344F336-L342 HydrophobicContact CD1-CD1 3.99Å; F336-L342 HydrophobicContact CE1-CD1 4.39Å; C339-L342 HydrophobicContact CB-CD1 3.72Å; C339-L342 HydrophobicContact CB-CG 3.87Å; C339-L342 WeakPolarHBondContact O-CB 3.49Å; C339-L342 PolarHBondContact O-N 3.48Å; P340-L342 PolarHBondContact O-N 3.21Å; L342-S344 PolarHBondContact O-N 2.92Å; L342-S344 PolarHBondContact O-OG 3.06Å
343G66.7Low80.8Confident62 Ų6241.8 Ų41.864%0.63922%0.219SC*.SBendtrans70.7-21.4-173.900000114P340 E341 V345P340-G343 PolarHBondContact O-N 3.4Å; E341-G343 PolarHBondContact O-N 3.28Å; G343-V345 VanDerWaalsContact C-N 3.3Å; G343-V345 PolarHBondContact O-N 3.03Å
344S76Confident80.9Confident4 Ų443.8 Ų43.83%0.02823%0.229CC..THydrogen-bonded Turntrans-79-5.5-178.9-48.10000114.7L287 L342 H346 M347 A348L287-S344 WeakPolarHBondContact O-CB 3.21Å; L287-S344 PolarHBondContact O-OG 2.88Å; L342-S344 PolarHBondContact O-N 2.92Å; L342-S344 PolarHBondContact O-OG 3.06Å; S344-H346 PolarHBondContact O-N 2.8Å; S344-M347 PolarHBondContact O-N 3.28Å; S344-A348 WeakPolarHBondContact O-CB 3.24Å; S344-A348 PolarHBondContact O-N 3.38Å
345V80.4Confident81.2Confident9 Ų940 Ų406%0.05521%0.212CC..Hα-helixtrans-66-38-173.1178.10000112.5F336 C339 G343 H349F336-V345 WeakPolarHBondContact O-CG2 3.3Å; C339-V345 WeakPolarHBondContact O-CG2 3.42Å; G343-V345 VanDerWaalsContact C-N 3.3Å; G343-V345 PolarHBondContact O-N 3.03Å; V345-H349 VanDerWaalsContact O-CB 3.29Å; V345-H349 WeakPolarHBondContact O-CB 3.25Å; V345-H349 PolarHBondContact O-N 3.45Å
346H81.3Confident81.7Confident113 Ų11332.5 Ų32.552%0.52318%0.179SC..Hα-helixtrans-64.1-44.2175.7-177.961000111.1S344 H349 Q350S344-H346 PolarHBondContact O-N 2.8Å; H346-H349 WeakPolarHBondContact O-CB 3.26Å; H346-H349 PolarHBondContact O-N 3.06Å; H346-Q350 WeakPolarHBondContact O-CG 3.43Å; H346-Q350 PolarHBondContact O-N 2.93Å
347M85.6Confident82.1Confident24 Ų2434.6 Ų34.612%0.11820%0.201CC..Hα-helixtrans-67.2-42.8178.3-69.4-63.6138.400112.3I286 L287 E296 S344 H349 Q350 M351I286-M347 HydrophobicContact CG2-CB 4.21Å; I286-M347 WeakPolarHBondContact O-CG 3.21Å; L287-M347 HydrophobicContact CD2-CB 4.17Å; E296-M347 WeakPolarHBondContact OE2-CE 3.48Å; S344-M347 PolarHBondContact O-N 3.28Å; M347-H349 VanDerWaalsContact C-N 3.28Å; M347-H349 PolarHBondContact O-N 3.25Å; M347-Q350 PolarHBondContact O-N 3.49Å; M347-M351 WeakPolarHBondContact O-CG 3.49Å; M347-M351 PolarHBondContact O-N 2.87Å
348A89.7Confident82.5Confident0 Ų035.9 Ų35.90%021%0.21CC..Hα-helixtrans-58.3-42172.300000111.5L287 L333 F336 S344 M351 L352L287-A348 HydrophobicContact CD2-CB 3.94Å; L333-A348 HydrophobicContact CD2-CB 4.2Å; F336-A348 HydrophobicContact CB-CB 3.97Å; S344-A348 WeakPolarHBondContact O-CB 3.24Å; S344-A348 PolarHBondContact O-N 3.38Å; A348-M351 PolarHBondContact O-N 3.11Å; A348-L352 WeakPolarHBondContact O-CG 3.46Å; A348-L352 PolarHBondContact O-N 3.42Å
349H90.6Very high83.1Confident3 Ų334.6 Ų34.61%0.01421%0.206CC..Hα-helixtrans-62.9-45.8175.3-176.881.9000112.5Y337 V345 H346 M347 M351 L352 I353 Q391 D394 W395Y337-H349 HydrophobicContact CE2-CB 3.79Å; Y337-H349 AromaticContact CE2-ND1 3.58Å; Y337-H349 AromaticContact CZ-ND1 3.72Å; Y337-H349 PolarHBondContact OH-ND1 2.88Å; V345-H349 VanDerWaalsContact O-CB 3.29Å; V345-H349 WeakPolarHBondContact O-CB 3.25Å; V345-H349 PolarHBondContact O-N 3.45Å; H346-H349 WeakPolarHBondContact O-CB 3.26Å; H346-H349 PolarHBondContact O-N 3.06Å; M347-H349 VanDerWaalsContact C-N 3.28Å; M347-H349 PolarHBondContact O-N 3.25Å; H349-M351 VanDerWaalsContact C-N 3.34Å; H349-M351 PolarHBondContact O-N 3.3Å; H349-L352 PolarHBondContact O-N 3.02Å; H349-L352 VanDerWaalsContact O-N 3.15Å; H349-I353 WeakPolarHBondContact O-CG1 3.43Å; H349-I353 PolarHBondContact O-N 3.28Å; H349-Q391 PolarHBondContact CE1-O 3.43Å; H349-D394 IonicContact CD2-OD2 2.7Å; H349-D394 WeakPolarHBondContact NE2-CB 3.49Å; H349-D394 IonicContact NE2-OD2 3.17Å; H349-D394 PolarHBondContact NE2-OD2 2.99Å; H349-D394 VanDerWaalsContact NE2-OD2 3.16Å; H349-W395 AromaticContact CE1-CD1 3.61Å; H349-W395 AromaticContact CE1-NE1 3.35Å; H349-W395 PolarHBondContact CE1-NE1 2.82Å; H349-W395 AromaticContact ND1-NE1 3.82Å
350Q89.7Confident83.9Confident48 Ų4834 Ų3422%0.22421%0.205CC..Hα-helixtrans-60.8-41.3177-71.4-60.1-45.900112.3L300 H346 M347 L352 I353 L354 D394L300-Q350 HydrophobicContact CD2-CB 4.14Å; H346-Q350 WeakPolarHBondContact O-CG 3.43Å; H346-Q350 PolarHBondContact O-N 2.93Å; M347-Q350 PolarHBondContact O-N 3.49Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 2.75Å; Q350-I353 PolarHBondContact O-N 3.29Å; Q350-L354 WeakPolarHBondContact O-CG 3.34Å; Q350-L354 PolarHBondContact O-N 3.12Å; Q350-D394 PolarHBondContact NE2-OD2 3.33Å
351M93.1Very high85Confident0 Ų038 Ų380%023%0.225CC..Hα-helixtrans-59.9-39.5175.1-6917978.200112.4V283 I286 L287 L300 Y303 L329 L333 M347 A348 H349 A355V283-M351 HydrophobicContact CG2-CE 3.9Å; I286-M351 HydrophobicContact CB-SD 4.19Å; I286-M351 HydrophobicContact CD1-CE 4Å; I286-M351 HydrophobicContact CD1-SD 4.3Å; I286-M351 HydrophobicContact CG2-CG 3.96Å; I286-M351 HydrophobicContact CG2-SD 3.59Å; I286-M351 VanDerWaalsContact CG2-SD 3.59Å; L287-M351 HydrophobicContact CD2-SD 4.33Å; L300-M351 HydrophobicContact CD1-CG 3.8Å; Y303-M351 HydrophobicContact CD1-CE 4.48Å; Y303-M351 HydrophobicContact CD1-CG 4.3Å; Y303-M351 HydrophobicContact CD2-CE 3.64Å; Y303-M351 HydrophobicContact CE1-CB 3.84Å; Y303-M351 HydrophobicContact CE1-CE 4.39Å; Y303-M351 HydrophobicContact CE1-CG 4.09Å; Y303-M351 WeakPolarHBondContact CE1-O 3.49Å; Y303-M351 HydrophobicContact CE2-CE 3.53Å; Y303-M351 HydrophobicContact CG-CE 4.12Å; Y303-M351 PolarHBondContact OH-O 3.41Å; L329-M351 HydrophobicContact CD1-CE 4.22Å; L333-M351 HydrophobicContact CD1-CB 3.91Å; L333-M351 HydrophobicContact CD1-SD 4.39Å; L333-M351 HydrophobicContact CD2-SD 4.11Å; M347-M351 WeakPolarHBondContact O-CG 3.49Å; M347-M351 PolarHBondContact O-N 2.87Å; A348-M351 PolarHBondContact O-N 3.11Å; H349-M351 VanDerWaalsContact C-N 3.34Å; H349-M351 PolarHBondContact O-N 3.3Å; M351-A355 PolarHBondContact O-N 2.92Å
352L94.7Very high86.4Confident1 Ų131.6 Ų31.61%0.00520%0.195CC..Hα-helixtrans-70.1-42.7177.2-66.2168.7000112L329 T330 L333 Y337 A348 H349 Q350 L354 A355 A356 L366 W369 W395L329-L352 HydrophobicContact CD2-CD2 4.23Å; L329-L352 HydrophobicContact CG-CD2 4.44Å; T330-L352 HydrophobicContact CG2-CD2 4.14Å; L333-L352 HydrophobicContact CD1-CD2 3.92Å; L333-L352 HydrophobicContact CD1-CG 3.88Å; Y337-L352 HydrophobicContact CD2-CD1 3.68Å; Y337-L352 HydrophobicContact CE2-CD1 3.71Å; Y337-L352 HydrophobicContact CG-CD1 4.45Å; A348-L352 WeakPolarHBondContact O-CG 3.46Å; A348-L352 PolarHBondContact O-N 3.42Å; H349-L352 PolarHBondContact O-N 3.02Å; H349-L352 VanDerWaalsContact O-N 3.15Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 2.75Å; L352-L354 VanDerWaalsContact C-N 3.32Å; L352-L354 PolarHBondContact O-N 3.39Å; L352-A355 PolarHBondContact O-N 3.2Å; L352-A356 VanDerWaalsContact O-CB 3.3Å; L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 3Å; L352-L366 HydrophobicContact CD2-CD2 4.06Å; L352-L366 WeakPolarHBondContact O-CD1 3.42Å; L352-W369 HydrophobicContact CD1-CE3 4.25Å; L352-W369 HydrophobicContact CD1-CH2 4.28Å; L352-W369 HydrophobicContact CD1-CZ3 3.6Å; L352-W395 HydrophobicContact CB-CZ2 4.27Å
353I92.7Very high87.9Confident8 Ų827.5 Ų27.54%0.04117%0.174CC..Hα-helixtrans-61.9-40.1178-68.1-69.9000111.2H349 Q350 A356 A357 W395 K398H349-I353 WeakPolarHBondContact O-CG1 3.43Å; H349-I353 PolarHBondContact O-N 3.28Å; Q350-I353 PolarHBondContact O-N 3.29Å; I353-A356 PolarHBondContact O-N 3.01Å; I353-A357 PolarHBondContact O-N 2.88Å; I353-W395 HydrophobicContact CD1-CD2 3.55Å; I353-W395 HydrophobicContact CD1-CE3 3.73Å; I353-W395 HydrophobicContact CD1-CG 4.12Å; I353-W395 HydrophobicContact CD1-CH2 3.94Å; I353-W395 HydrophobicContact CD1-CZ2 3.79Å; I353-W395 HydrophobicContact CD1-CZ3 3.93Å; I353-W395 HydrophobicContact CG1-CZ2 4.46Å; I353-K398 HydrophobicContact CG2-CD 4.46Å; I353-K398 HydrophobicContact CG2-CG 4.33Å
354L92.6Very high89.1Confident41 Ų4126.3 Ų26.322%0.21515%0.15CC..Hα-helixtrans-63.6-45.3175.8-72171.2000112.1L300 Y303 N304 Q350 L352 A356 A357L300-L354 HydrophobicContact CD1-CD1 3.68Å; L300-L354 HydrophobicContact CD2-CD1 3.85Å; L300-L354 HydrophobicContact CG-CD1 3.5Å; L300-L354 VanDerWaalsContact CG-CD1 3.5Å; Y303-L354 HydrophobicContact CD1-CD1 4.15Å; Y303-L354 HydrophobicContact CE1-CB 4.16Å; Y303-L354 HydrophobicContact CE1-CD1 4.29Å; N304-L354 HydrophobicContact CB-CD1 4.29Å; Q350-L354 WeakPolarHBondContact O-CG 3.34Å; Q350-L354 PolarHBondContact O-N 3.12Å; L352-L354 VanDerWaalsContact C-N 3.32Å; L352-L354 PolarHBondContact O-N 3.39Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.39Å; L354-A357 PolarHBondContact O-N 3.4Å
355A94.4Very high89.9Confident0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-66.6-32.2176.300000113.1V307 L326 L329 M351 L352 A357 S362 L366V307-A355 HydrophobicContact CG1-CB 4.17Å; L326-A355 HydrophobicContact CD2-CB 3.83Å; L329-A355 HydrophobicContact CD2-CB 3.89Å; M351-A355 PolarHBondContact O-N 2.92Å; L352-A355 PolarHBondContact O-N 3.2Å; A355-A357 VanDerWaalsContact C-N 3.32Å; A355-S362 PolarHBondContact O-OG 2.83Å; A355-L366 HydrophobicContact CB-CD1 3.91Å
356A92.9Very high90.6Very high1 Ų129.9 Ų29.91%0.00816%0.164CC..Hα-helixtrans-68.2-30.7174.600000112.7L352 I353 L354 C358 S362 F363 L366 W395L352-A356 VanDerWaalsContact O-CB 3.3Å; L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 3Å; I353-A356 PolarHBondContact O-N 3.01Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.39Å; A356-C358 PolarHBondContact O-N 3.42Å; A356-S362 PolarHBondContact O-OG 3.18Å; A356-F363 HydrophobicContact CB-CB 4.49Å; A356-F363 HydrophobicContact CB-CD2 4.01Å; A356-F363 WeakPolarHBondContact O-CB 3.44Å; A356-F363 PolarHBondContact O-N 3.5Å; A356-L366 HydrophobicContact CB-CB 4.28Å; A356-L366 HydrophobicContact CB-CD1 3.88Å; A356-W395 HydrophobicContact CB-CH2 3.6Å; A356-W395 HydrophobicContact CB-CZ3 3.49Å; A356-W395 VanDerWaalsContact CB-CZ3 3.49Å
357A90.6Very high91.2Very high69 Ų6924.5 Ų24.557%0.5714%0.139SC*.THydrogen-bonded Turntrans-71.3-14.6-177.600000114I353 L354 A355I353-A357 PolarHBondContact O-N 2.88Å; L354-A357 PolarHBondContact O-N 3.4Å; A355-A357 VanDerWaalsContact C-N 3.32Å
358C89.4Confident91.6Very high28 Ų2829.4 Ų29.419%0.18916%0.157CC..THydrogen-bonded Turntrans-69.8-42.7-175.8-64.60000113.6V307 F311 F312 A356V307-C358 WeakPolarHBondContact CG1-SG 3.32Å; F311-C358 HydrophobicContact CB-CB 4.36Å; F311-C358 HydrophobicContact CD1-CB 3.35Å; F311-C358 HydrophobicContact CE1-CB 3.6Å; F311-C358 HydrophobicContact CG-CB 3.83Å; F311-C358 HydrophobicContact CZ-CB 4.27Å; F312-C358 HydrophobicContact CE2-CB 4.15Å; F312-C358 HydrophobicContact CZ-CB 4.42Å; F312-C358 WeakPolarHBondContact CZ-O 3.36Å; A356-C358 PolarHBondContact O-N 3.42Å
359T88.2Confident91.8Very high25 Ų2530.5 Ų30.515%0.15316%0.161CC..  trans-145.1157.5-177.763.40000111.2F311 F312 L318 D361 S362 F363F311-T359 HydrophobicContact CD1-CG2 4Å; F311-T359 HydrophobicContact CE1-CG2 4.34Å; F312-T359 HydrophobicContact CE1-CG2 4.2Å; F312-T359 HydrophobicContact CZ-CG2 3.95Å; L318-T359 HydrophobicContact CD1-CG2 3.61Å; T359-D361 VanDerWaalsContact C-N 3.29Å; T359-D361 PolarHBondContact O-N 2.86Å; T359-S362 PolarHBondContact N-OG 3Å; T359-S362 PolarHBondContact O-N 3.31Å; T359-S362 PolarHBondContact O-OG 3.37Å; T359-S362 VanDerWaalsContact OG1-CB 3.29Å; T359-S362 WeakPolarHBondContact OG1-CB 3.36Å; T359-S362 PolarHBondContact OG1-N 3.41Å; T359-S362 PolarHBondContact OG1-OG 2.84Å; T359-F363 WeakPolarHBondContact O-CB 3.39Å; T359-F363 PolarHBondContact O-N 3.22Å
360A87.2Confident92Very high36 Ų3630.4 Ų30.430%0.29816%0.16SC..Hα-helixtrans-60.4-40.7173.300000111.5F363 W364A360-F363 WeakPolarHBondContact O-CB 3.26Å; A360-F363 PolarHBondContact O-N 2.73Å; A360-W364 PolarHBondContact O-N 3.35Å
361D87.7Confident92.2Very high103 Ų10328.1 Ų28.155%0.55115%0.149SC*.Hα-helixtrans-64.2-44.3179.6-68.1-27.2000112.4W322 T359 F363 W364 F365W322-D361 HydrophobicContact CH2-CB 3.83Å; W322-D361 HydrophobicContact CZ2-CB 4.26Å; T359-D361 VanDerWaalsContact C-N 3.29Å; T359-D361 PolarHBondContact O-N 2.86Å; D361-F363 VanDerWaalsContact C-N 3.33Å; D361-F363 PolarHBondContact O-N 3.46Å; D361-W364 PolarHBondContact O-N 2.88Å; D361-F365 VanDerWaalsContact O-CB 3.32Å; D361-F365 WeakPolarHBondContact O-CB 3.34Å; D361-F365 PolarHBondContact O-N 3.21Å
362S90.9Very high92.2Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-64.9-37.9174.263.80000112.3F311 A355 A356 T359 L366F311-S362 WeakPolarHBondContact CE1-OG 3.32Å; A355-S362 PolarHBondContact O-OG 2.83Å; A356-S362 PolarHBondContact O-OG 3.18Å; T359-S362 PolarHBondContact N-OG 3Å; T359-S362 PolarHBondContact O-N 3.31Å; T359-S362 PolarHBondContact O-OG 3.37Å; T359-S362 VanDerWaalsContact OG1-CB 3.29Å; T359-S362 WeakPolarHBondContact OG1-CB 3.36Å; T359-S362 PolarHBondContact OG1-N 3.41Å; T359-S362 PolarHBondContact OG1-OG 2.84Å; S362-L366 WeakPolarHBondContact O-CB 2.95Å; S362-L366 VanDerWaalsContact O-CG 3.31Å; S362-L366 WeakPolarHBondContact O-CG 3.35Å; S362-L366 PolarHBondContact O-N 3.45Å
363F92.6Very high92Very high3 Ų332.1 Ų32.11%0.01317%0.168CC..Hα-helixtrans-58.5-52.9174.2-177.3-91.1000111.4A356 T359 A360 D361 F365 L366 L367 W395 K398 L399 Q402A356-F363 HydrophobicContact CB-CB 4.49Å; A356-F363 HydrophobicContact CB-CD2 4.01Å; A356-F363 WeakPolarHBondContact O-CB 3.44Å; A356-F363 PolarHBondContact O-N 3.5Å; T359-F363 WeakPolarHBondContact O-CB 3.39Å; T359-F363 PolarHBondContact O-N 3.22Å; A360-F363 WeakPolarHBondContact O-CB 3.26Å; A360-F363 PolarHBondContact O-N 2.73Å; D361-F363 VanDerWaalsContact C-N 3.33Å; D361-F363 PolarHBondContact O-N 3.46Å; F363-F365 PolarHBondContact O-N 2.92Å; F363-L366 PolarHBondContact O-N 3.46Å; F363-L367 HydrophobicContact CE1-CB 4.27Å; F363-L367 HydrophobicContact CE1-CD2 3.67Å; F363-L367 HydrophobicContact CZ-CD2 4.15Å; F363-L367 WeakPolarHBondContact O-CB 3.29Å; F363-L367 PolarHBondContact O-N 3.46Å; F363-W395 HydrophobicContact CD2-CE3 4.43Å; F363-W395 HydrophobicContact CD2-CZ3 4.12Å; F363-W395 AromaticContact CE2-CE3 3.81Å; F363-W395 HydrophobicContact CE2-CE3 3.81Å; F363-W395 AromaticContact CE2-CZ3 3.96Å; F363-W395 HydrophobicContact CE2-CZ3 3.96Å; F363-W395 HydrophobicContact CZ-CE3 4.15Å; F363-K398 HydrophobicContact CE2-CB 3.77Å; F363-K398 HydrophobicContact CZ-CB 4.4Å; F363-L399 HydrophobicContact CE1-CD2 3.51Å; F363-L399 HydrophobicContact CE1-CG 4.45Å; F363-L399 HydrophobicContact CZ-CD2 3.73Å; F363-L399 HydrophobicContact CZ-CG 4.19Å; F363-Q402 HydrophobicContact CD1-CG 3.72Å; F363-Q402 HydrophobicContact CD2-CG 4.21Å; F363-Q402 HydrophobicContact CE1-CG 3.91Å; F363-Q402 HydrophobicContact CE2-CG 4.38Å; F363-Q402 HydrophobicContact CG-CG 3.88Å; F363-Q402 HydrophobicContact CZ-CG 4.23Å
364W91.3Very high92Very high36 Ų3631.8 Ų31.814%0.13617%0.166CC..Hα-helixtrans-66.1-38.6-178-71.5114.7000112.6A360 D361 L367 R368 L399 G408 D409 I412 I413 F447A360-W364 PolarHBondContact O-N 3.35Å; D361-W364 PolarHBondContact O-N 2.88Å; W364-L367 HydrophobicContact CE3-CD2 4.04Å; W364-L367 HydrophobicContact CZ3-CD2 3.86Å; W364-R368 WeakPolarHBondContact O-CB 3.32Å; W364-R368 PolarHBondContact O-N 3.27Å; W364-L399 HydrophobicContact CH2-CD2 4.1Å; W364-G408 VanDerWaalsContact CZ2-CA 3.42Å; W364-D409 HydrophobicContact CE3-CB 3.99Å; W364-D409 HydrophobicContact CZ3-CB 4.4Å; W364-I412 HydrophobicContact CE3-CG2 4.16Å; W364-I412 HydrophobicContact CZ3-CG2 3.93Å; W364-I413 HydrophobicContact CH2-CD1 3.87Å; W364-I413 HydrophobicContact CH2-CG1 3.93Å; W364-I413 HydrophobicContact CZ3-CD1 3.8Å; W364-I413 HydrophobicContact CZ3-CG1 3.92Å; W364-F447 HydrophobicContact CH2-CZ 4.11Å
365F92.1Very high92Very high88 Ų8831 Ų3139%0.38616%0.161SC..Hα-helixtrans-59.2-51.8174.5176.4-95.8000111.5L326 T330 D361 F363 W369L326-F365 HydrophobicContact CB-CD1 4.44Å; L326-F365 HydrophobicContact CB-CE1 4.12Å; L326-F365 HydrophobicContact CD1-CD1 3.97Å; L326-F365 HydrophobicContact CD1-CE1 4.46Å; T330-F365 HydrophobicContact CG2-CE1 4.27Å; D361-F365 VanDerWaalsContact O-CB 3.32Å; D361-F365 WeakPolarHBondContact O-CB 3.34Å; D361-F365 PolarHBondContact O-N 3.21Å; F363-F365 PolarHBondContact O-N 2.92Å; F365-W369 WeakPolarHBondContact O-CB 3.25Å; F365-W369 PolarHBondContact O-N 3.13Å
366L94.5Very high91.7Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-73.8-34.1-177.2-65.7176.7000112.7L326 T330 L352 A355 A356 S362 F363 W369 A370 W395L326-L366 HydrophobicContact CD1-CD1 4.42Å; L326-L366 HydrophobicContact CD1-CG 4.34Å; L326-L366 HydrophobicContact CD2-CD1 4.04Å; L326-L366 HydrophobicContact CD2-CD2 4.48Å; T330-L366 HydrophobicContact CG2-CD2 3.49Å; T330-L366 VanDerWaalsContact CG2-CD2 3.49Å; L352-L366 HydrophobicContact CD2-CD2 4.06Å; L352-L366 WeakPolarHBondContact O-CD1 3.42Å; A355-L366 HydrophobicContact CB-CD1 3.91Å; A356-L366 HydrophobicContact CB-CB 4.28Å; A356-L366 HydrophobicContact CB-CD1 3.88Å; S362-L366 WeakPolarHBondContact O-CB 2.95Å; S362-L366 VanDerWaalsContact O-CG 3.31Å; S362-L366 WeakPolarHBondContact O-CG 3.35Å; S362-L366 PolarHBondContact O-N 3.45Å; F363-L366 PolarHBondContact O-N 3.46Å; L366-W369 PolarHBondContact O-N 3.14Å; L366-A370 WeakPolarHBondContact O-CB 3.32Å; L366-A370 PolarHBondContact O-N 3.2Å; L366-W395 HydrophobicContact CB-CH2 3.63Å; L366-W395 HydrophobicContact CB-CZ2 4.4Å; L366-W395 HydrophobicContact CB-CZ3 4.32Å
367L94.2Very high91.5Very high1 Ų137 Ų371%0.00519%0.189CC..Hα-helixtrans-62.1-47.7174175.260.1000110.9F363 W364 A370 A371 W395 L399 I412 I413 I416F363-L367 HydrophobicContact CE1-CB 4.27Å; F363-L367 HydrophobicContact CE1-CD2 3.67Å; F363-L367 HydrophobicContact CZ-CD2 4.15Å; F363-L367 WeakPolarHBondContact O-CB 3.29Å; F363-L367 PolarHBondContact O-N 3.46Å; W364-L367 HydrophobicContact CE3-CD2 4.04Å; W364-L367 HydrophobicContact CZ3-CD2 3.86Å; L367-A370 PolarHBondContact O-N 2.98Å; L367-A371 WeakPolarHBondContact O-CB 3.19Å; L367-A371 PolarHBondContact O-N 3.48Å; L367-W395 HydrophobicContact CB-CE3 4.07Å; L367-W395 HydrophobicContact CB-CZ3 4.25Å; L367-W395 HydrophobicContact CD1-CB 3.73Å; L367-W395 HydrophobicContact CD1-CD2 3.9Å; L367-W395 HydrophobicContact CD1-CE3 3.93Å; L367-W395 HydrophobicContact CD1-CG 3.81Å; L367-L399 HydrophobicContact CD2-CD2 4.2Å; L367-I412 HydrophobicContact CD2-CG2 4.31Å; L367-I413 HydrophobicContact CD2-CD1 4.43Å; L367-I416 HydrophobicContact CD1-CD1 4.27Å
368R94Very high91.5Very high127 Ų12733.9 Ų33.948%0.47916%0.163SC..Hα-helixtrans-59.8-48.9176.3-177.3-176.2-78.5176.7-12.2110.4W364 A370 A371 D372 D409W364-R368 WeakPolarHBondContact O-CB 3.32Å; W364-R368 PolarHBondContact O-N 3.27Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 2.96Å; R368-A371 PolarHBondContact O-N 3.4Å; R368-D372 PolarHBondContact O-N 3.42Å; R368-D372 VanDerWaalsContact O-N 3.1Å; R368-D409 IonicContact CZ-OD2 2.79Å; R368-D409 IonicContact NE-OD2 3.25Å; R368-D409 PolarHBondContact NE-OD2 3.49Å; R368-D409 IonicContact NH2-OD1 2.65Å; R368-D409 PolarHBondContact NH2-OD1 3.06Å; R368-D409 IonicContact NH2-OD2 3.07Å; R368-D409 PolarHBondContact NH2-OD2 2.73Å
369W94.4Very high91.2Very high23 Ų2338.9 Ų38.99%0.08718%0.183CC..Hα-helixtrans-55.6-46.1177.7-176.9103.8000112.3T330 Q334 Y337 L352 F365 L366 R373T330-W369 HydrophobicContact CG2-CD2 4.12Å; T330-W369 HydrophobicContact CG2-CG 4.3Å; T330-W369 HydrophobicContact CG2-CZ2 4.36Å; Q334-W369 HydrophobicContact CB-CZ2 4.07Å; Q334-W369 HydrophobicContact CG-CZ2 4.43Å; Y337-W369 HydrophobicContact CD1-CH2 4.38Å; Y337-W369 AromaticContact CD1-CZ3 3.91Å; Y337-W369 HydrophobicContact CD1-CZ3 3.91Å; Y337-W369 HydrophobicContact CD2-CZ3 4.37Å; Y337-W369 HydrophobicContact CE1-CZ3 4.34Å; Y337-W369 HydrophobicContact CG-CH2 4.17Å; Y337-W369 AromaticContact CG-CZ3 3.93Å; Y337-W369 HydrophobicContact CG-CZ3 3.93Å; L352-W369 HydrophobicContact CD1-CE3 4.25Å; L352-W369 HydrophobicContact CD1-CH2 4.28Å; L352-W369 HydrophobicContact CD1-CZ3 3.6Å; F365-W369 WeakPolarHBondContact O-CB 3.25Å; F365-W369 PolarHBondContact O-N 3.13Å; L366-W369 PolarHBondContact O-N 3.14Å; W369-R373 VanDerWaalsContact CD1-CZ 3.43Å; W369-R373 VanDerWaalsContact O-CD 3.25Å; W369-R373 WeakPolarHBondContact O-CD 3.32Å; W369-R373 WeakPolarHBondContact O-CG 3.27Å; W369-R373 PolarHBondContact O-NH1 2.76Å
370A94.1Very high91Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-73.9-43.4-177.500000112.2Y337 L366 L367 R368 R373 I374 W395Y337-A370 HydrophobicContact CE1-CB 4.31Å; L366-A370 WeakPolarHBondContact O-CB 3.32Å; L366-A370 PolarHBondContact O-N 3.2Å; L367-A370 PolarHBondContact O-N 2.98Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 2.96Å; A370-R373 PolarHBondContact O-N 2.7Å; A370-I374 WeakPolarHBondContact O-CB 3.47Å; A370-I374 VanDerWaalsContact O-CG1 3.25Å; A370-I374 WeakPolarHBondContact O-CG1 3.34Å; A370-I374 PolarHBondContact O-N 2.83Å; A370-W395 HydrophobicContact CB-CZ2 3.81Å
371A93.9Very high90.7Very high0 Ų044.7 Ų44.70%021%0.209CC..Hα-helixtrans-63.6-43-178.800000111.8L367 R368 R373 I374 F375 I412L367-A371 WeakPolarHBondContact O-CB 3.19Å; L367-A371 PolarHBondContact O-N 3.48Å; R368-A371 PolarHBondContact O-N 3.4Å; A371-R373 VanDerWaalsContact C-N 3.27Å; A371-R373 PolarHBondContact O-N 2.64Å; A371-I374 PolarHBondContact O-N 2.91Å; A371-F375 HydrophobicContact CB-CE2 4.11Å; A371-F375 HydrophobicContact CB-CZ 4.07Å; A371-F375 WeakPolarHBondContact O-CB 3.32Å; A371-F375 WeakPolarHBondContact O-CD1 3.46Å; A371-F375 WeakPolarHBondContact O-CD2 3.26Å; A371-F375 WeakPolarHBondContact O-CG 3.4Å; A371-F375 PolarHBondContact O-N 3.29Å; A371-I412 HydrophobicContact CB-CD1 3.73Å; A371-I412 HydrophobicContact CB-CG1 4.02Å
372D93.1Very high90.2Very high44 Ų4446.2 Ų46.224%0.23521%0.213CC..Hα-helixtrans-56.1-44.6175.4-72.5-25.6000111.2R368 F375 E376 R415R368-D372 PolarHBondContact O-N 3.42Å; R368-D372 VanDerWaalsContact O-N 3.1Å; D372-F375 PolarHBondContact O-N 2.97Å; D372-E376 WeakPolarHBondContact O-CG 3.38Å; D372-E376 PolarHBondContact O-N 2.69Å; D372-E376 VanDerWaalsContact O-N 3.08Å; D372-R415 IonicContact OD1-CZ 2.79Å; D372-R415 IonicContact OD1-NH1 2.77Å; D372-R415 PolarHBondContact OD1-NH1 3.39Å; D372-R415 IonicContact OD1-NH2 3.2Å; D372-R415 PolarHBondContact OD1-NH2 3.39Å
373R91.2Very high89.8Confident42 Ų4251.2 Ų51.216%0.15825%0.247CC..Hα-helixtrans-72.3-38.3179.9-68.7162.1172.677.2-0.1112.8Y337 W369 A370 A371 F375 N377Y337-R373 HydrophobicContact CD1-CB 4.36Å; W369-R373 VanDerWaalsContact CD1-CZ 3.43Å; W369-R373 VanDerWaalsContact O-CD 3.25Å; W369-R373 WeakPolarHBondContact O-CD 3.32Å; W369-R373 WeakPolarHBondContact O-CG 3.27Å; W369-R373 PolarHBondContact O-NH1 2.76Å; A370-R373 PolarHBondContact O-N 2.7Å; A371-R373 VanDerWaalsContact C-N 3.27Å; A371-R373 PolarHBondContact O-N 2.64Å; R373-F375 VanDerWaalsContact C-N 3.34Å; R373-N377 VanDerWaalsContact O-CB 3.28Å; R373-N377 WeakPolarHBondContact O-CB 3.46Å; R373-N377 PolarHBondContact O-N 3.44Å; R373-N377 PolarHBondContact O-ND2 2.84Å
374I91.9Very high89.4Confident0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-60.1-47.4173.6-75.2167.5000109.5Y337 A370 A371 N377 F378 Q391 L392Y337-I374 HydrophobicContact CE1-CG1 4.16Å; A370-I374 WeakPolarHBondContact O-CB 3.47Å; A370-I374 VanDerWaalsContact O-CG1 3.25Å; A370-I374 WeakPolarHBondContact O-CG1 3.34Å; A370-I374 PolarHBondContact O-N 2.83Å; A371-I374 PolarHBondContact O-N 2.91Å; I374-N377 PolarHBondContact O-N 2.78Å; I374-F378 WeakPolarHBondContact O-CB 3.45Å; I374-F378 PolarHBondContact O-N 3.34Å; I374-Q391 HydrophobicContact CD1-CB 4.04Å; I374-L392 HydrophobicContact CD1-CB 4.26Å; I374-L392 HydrophobicContact CD1-CD1 4.48Å; I374-L392 HydrophobicContact CG2-CB 4.3Å
375F93.1Very high89.3Confident24 Ų2453.1 Ų53.111%0.10526%0.256CS..Hα-helixtrans-63.5-45.6-179-59.6-24.1000112.1A371 D372 R373 L392 I412 R415 I416 F419A371-F375 HydrophobicContact CB-CE2 4.11Å; A371-F375 HydrophobicContact CB-CZ 4.07Å; A371-F375 WeakPolarHBondContact O-CB 3.32Å; A371-F375 WeakPolarHBondContact O-CD1 3.46Å; A371-F375 WeakPolarHBondContact O-CD2 3.26Å; A371-F375 WeakPolarHBondContact O-CG 3.4Å; A371-F375 PolarHBondContact O-N 3.29Å; D372-F375 PolarHBondContact O-N 2.97Å; R373-F375 VanDerWaalsContact C-N 3.34Å; F375-L392 HydrophobicContact CE1-CD2 4.21Å; F375-I412 HydrophobicContact CE2-CD1 4.13Å; F375-R415 HydrophobicContact CE2-CB 4.1Å; F375-I416 HydrophobicContact CZ-CB 4.45Å; F375-I416 HydrophobicContact CZ-CG1 3.77Å; F375-F419 HydrophobicContact CD1-CB 4.29Å; F375-F419 HydrophobicContact CD1-CD1 4.11Å; F375-F419 AromaticContact CD1-CD2 3.5Å; F375-F419 HydrophobicContact CD1-CD2 3.5Å; F375-F419 HydrophobicContact CD1-CE1 4.33Å; F375-F419 AromaticContact CD1-CE2 3.75Å; F375-F419 HydrophobicContact CD1-CE2 3.75Å; F375-F419 AromaticContact CD1-CG 3.7Å; F375-F419 HydrophobicContact CD1-CG 3.7Å; F375-F419 HydrophobicContact CD1-CZ 4.15Å; F375-F419 HydrophobicContact CE1-CB 3.82Å; F375-F419 AromaticContact CE1-CD1 3.86Å; F375-F419 HydrophobicContact CE1-CD1 3.86Å; F375-F419 AromaticContact CE1-CD2 3.9Å; F375-F419 HydrophobicContact CE1-CD2 3.9Å; F375-F419 HydrophobicContact CE1-CE1 4.4Å; F375-F419 HydrophobicContact CE1-CE2 4.44Å; F375-F419 AromaticContact CE1-CG 3.57Å; F375-F419 HydrophobicContact CE1-CG 3.57Å; F375-F419 HydrophobicContact CG-CD2 4.23Å; F375-F419 HydrophobicContact CZ-CB 4.27Å; F375-F419 HydrophobicContact CZ-CG 4.48Å
376E89.5Confident89.2Confident110 Ų11052.5 Ų52.551%0.51426%0.255SS..Hα-helixtrans-61-51.3176.6-73.4174-176.300111.6D372 F378 Q379 M380D372-E376 WeakPolarHBondContact O-CG 3.38Å; D372-E376 PolarHBondContact O-N 2.69Å; D372-E376 VanDerWaalsContact O-N 3.08Å; E376-F378 PolarHBondContact O-N 2.95Å; E376-Q379 PolarHBondContact O-N 3.49Å; E376-M380 WeakPolarHBondContact O-CG 3.45Å; E376-M380 PolarHBondContact O-N 3.06Å
377N87.6Confident88.9Confident17 Ų1756 Ų569%0.09127%0.273CS..Hα-helixtrans-73.4-30.3-174.7-64.3-32.9000113H338 R373 I374 Q379 M380 A381 Y388H338-N377 PolarHBondContact ND1-ND2 3.1Å; H338-N377 PolarHBondContact ND1-OD1 3.44Å; R373-N377 VanDerWaalsContact O-CB 3.28Å; R373-N377 WeakPolarHBondContact O-CB 3.46Å; R373-N377 PolarHBondContact O-N 3.44Å; R373-N377 PolarHBondContact O-ND2 2.84Å; I374-N377 PolarHBondContact O-N 2.78Å; N377-Q379 PolarHBondContact O-N 3.43Å; N377-M380 PolarHBondContact O-N 2.96Å; N377-A381 PolarHBondContact O-N 3.18Å; N377-Y388 HydrophobicContact CB-CD1 4.4Å; N377-Y388 HydrophobicContact CB-CD2 4.39Å; N377-Y388 HydrophobicContact CB-CE1 3.79Å; N377-Y388 HydrophobicContact CB-CE2 3.76Å; N377-Y388 VanDerWaalsContact CB-CZ 3.42Å; N377-Y388 WeakPolarHBondContact CB-OH 3.43Å
378F90Very high88.7Confident4 Ų456.1 Ų56.12%0.01827%0.274CS..Hα-helixtrans-62.3-34.4176.5-175.9-84.3000112I374 E376 R385 A389 F419 N423 L424 L432I374-F378 WeakPolarHBondContact O-CB 3.45Å; I374-F378 PolarHBondContact O-N 3.34Å; E376-F378 PolarHBondContact O-N 2.95Å; F378-R385 HydrophobicContact CD1-CG 4.15Å; F378-R385 HydrophobicContact CD2-CB 3.88Å; F378-R385 HydrophobicContact CD2-CG 3.83Å; F378-R385 WeakPolarHBondContact CD2-O 3.42Å; F378-R385 HydrophobicContact CE1-CG 4.05Å; F378-R385 HydrophobicContact CE2-CB 3.5Å; F378-R385 HydrophobicContact CE2-CG 3.74Å; F378-R385 VanDerWaalsContact CE2-O 3.29Å; F378-R385 WeakPolarHBondContact CE2-O 3.36Å; F378-R385 HydrophobicContact CG-CG 4.03Å; F378-R385 HydrophobicContact CZ-CB 3.91Å; F378-R385 HydrophobicContact CZ-CG 3.85Å; F378-R385 WeakPolarHBondContact O-CG 3.21Å; F378-R385 PolarHBondContact O-NE 3.25Å; F378-R385 VanDerWaalsContact O-NE 3.07Å; F378-A389 HydrophobicContact CE2-CB 4.32Å; F378-F419 HydrophobicContact CB-CE2 4.35Å; F378-F419 HydrophobicContact CB-CZ 3.99Å; F378-F419 AromaticContact CD1-CE2 3.95Å; F378-F419 HydrophobicContact CD1-CE2 3.95Å; F378-F419 AromaticContact CD1-CZ 3.66Å; F378-F419 HydrophobicContact CD1-CZ 3.66Å; F378-F419 AromaticContact CD2-CZ 3.88Å; F378-F419 HydrophobicContact CD2-CZ 3.88Å; F378-F419 HydrophobicContact CE1-CE2 4.49Å; F378-F419 HydrophobicContact CE1-CZ 4.06Å; F378-F419 HydrophobicContact CE2-CZ 4.24Å; F378-F419 HydrophobicContact CG-CE2 4.17Å; F378-F419 AromaticContact CG-CZ 3.58Å; F378-F419 HydrophobicContact CG-CZ 3.58Å; F378-F419 HydrophobicContact CZ-CZ 4.33Å; F378-N423 HydrophobicContact CE1-CB 3.92Å; F378-N423 HydrophobicContact CZ-CB 4.4Å; F378-L424 HydrophobicContact CE2-CD2 3.9Å; F378-L424 HydrophobicContact CZ-CD2 3.86Å; F378-L432 HydrophobicContact CE2-CD2 4.27Å; F378-L432 HydrophobicContact CZ-CD1 4.24Å; F378-L432 HydrophobicContact CZ-CD2 4.48Å
379Q84.6Confident88.7Confident133 Ų13350 Ų5062%0.62125%0.251SS*.Hα-helixtrans-73.6-38.5175.2-67.7-176.8-7.300111.8E376 N377E376-Q379 PolarHBondContact O-N 3.49Å; N377-Q379 PolarHBondContact O-N 3.43Å
380M83.8Confident88.6Confident160 Ų16051.2 Ų51.279%0.78826%0.257SS*.Hα-helixtrans-80.3-34.3-174.8-65.9-171.7-179.600114.5E376 N377E376-M380 WeakPolarHBondContact O-CG 3.45Å; E376-M380 PolarHBondContact O-N 3.06Å; N377-M380 PolarHBondContact O-N 2.96Å
381A80.5Confident88.4Confident24 Ų2451.9 Ų51.920%0.19826%0.26CS..  trans-117.483.2-170.200000112.2N377 S383 N384 R385 Y388N377-A381 PolarHBondContact O-N 3.18Å; A381-S383 VanDerWaalsContact C-N 3.26Å; A381-S383 PolarHBondContact O-N 3.35Å; A381-N384 HydrophobicContact CB-CB 4.49Å; A381-N384 PolarHBondContact O-N 2.74Å; A381-N384 VanDerWaalsContact O-N 3.1Å; A381-R385 PolarHBondContact O-N 3.48Å; A381-Y388 HydrophobicContact CB-CE2 4.17Å
382E77.1Confident88.5Confident135 Ų13551.9 Ų51.963%0.63126%0.26SS*.G310 helixtrans-56.7-36.4-175.3-57.7-150.812700113.9N384 R385E382-N384 PolarHBondContact O-N 3.19Å; E382-R385 IonicContact OE1-CZ 3.94Å; E382-R385 IonicContact OE1-NH1 2.75Å; E382-R385 PolarHBondContact OE1-NH1 3.43Å; E382-R385 IonicContact OE1-NH2 2.85Å; E382-R385 PolarHBondContact OE1-NH2 3.42Å
383S82.4Confident88.5Confident104 Ų10450 Ų5073%0.72725%0.25SS*.G310 helixtrans-67.2-22.2-178.954.10000114A381A381-S383 VanDerWaalsContact C-N 3.26Å; A381-S383 PolarHBondContact O-N 3.35Å
384N84.6Confident88.6Confident22 Ų2249.5 Ų49.512%0.11825%0.25CS..G310 helixtrans-112.59.4-173-60.1-37.2000112.9P340 E341 A381 E382 Q386 N387 Y388P340-N384 HydrophobicContact CB-CB 4.02Å; P340-N384 HydrophobicContact CG-CB 3.73Å; E341-N384 PolarHBondContact OE1-ND2 2.85Å; A381-N384 HydrophobicContact CB-CB 4.49Å; A381-N384 PolarHBondContact O-N 2.74Å; A381-N384 VanDerWaalsContact O-N 3.1Å; E382-N384 PolarHBondContact O-N 3.19Å; N384-Q386 PolarHBondContact O-N 3.3Å; N384-N387 PolarHBondContact O-N 3.01Å; N384-Y388 HydrophobicContact CB-CD2 4.23Å; N384-Y388 HydrophobicContact CB-CE2 3.81Å; N384-Y388 VanDerWaalsContact O-CD2 3.23Å; N384-Y388 WeakPolarHBondContact O-CD2 3.46Å; N384-Y388 PolarHBondContact O-N 3.03Å
385R89.4Confident88.7Confident57 Ų5749.5 Ų49.522%0.21525%0.251CS..Hα-helixtrans-53.4-39.8-178.4-80.2-176.3179.6156.69.6113.1F378 A381 E382 Y388 A389 L432F378-R385 HydrophobicContact CD1-CG 4.15Å; F378-R385 HydrophobicContact CD2-CB 3.88Å; F378-R385 HydrophobicContact CD2-CG 3.83Å; F378-R385 WeakPolarHBondContact CD2-O 3.42Å; F378-R385 HydrophobicContact CE1-CG 4.05Å; F378-R385 HydrophobicContact CE2-CB 3.5Å; F378-R385 HydrophobicContact CE2-CG 3.74Å; F378-R385 VanDerWaalsContact CE2-O 3.29Å; F378-R385 WeakPolarHBondContact CE2-O 3.36Å; F378-R385 HydrophobicContact CG-CG 4.03Å; F378-R385 HydrophobicContact CZ-CB 3.91Å; F378-R385 HydrophobicContact CZ-CG 3.85Å; F378-R385 WeakPolarHBondContact O-CG 3.21Å; F378-R385 PolarHBondContact O-NE 3.25Å; F378-R385 VanDerWaalsContact O-NE 3.07Å; A381-R385 PolarHBondContact O-N 3.48Å; E382-R385 IonicContact OE1-CZ 3.94Å; E382-R385 IonicContact OE1-NH1 2.75Å; E382-R385 PolarHBondContact OE1-NH1 3.43Å; E382-R385 IonicContact OE1-NH2 2.85Å; E382-R385 PolarHBondContact OE1-NH2 3.42Å; R385-Y388 PolarHBondContact O-N 2.88Å; R385-A389 WeakPolarHBondContact O-CB 3.49Å; R385-A389 PolarHBondContact O-N 2.84Å; R385-L432 HydrophobicContact CB-CD1 4.49Å; R385-L432 HydrophobicContact CB-CD2 4.37Å
386Q89.4Confident88.7Confident76 Ų7648.4 Ų48.436%0.35525%0.246SC..Hα-helixtrans-58.5-50.4176178.1-179.9-11.200111.6N384 Y388 A389 E390 V431N384-Q386 PolarHBondContact O-N 3.3Å; Q386-Y388 VanDerWaalsContact C-N 3.31Å; Q386-Y388 PolarHBondContact O-N 3.2Å; Q386-A389 WeakPolarHBondContact O-CB 3.41Å; Q386-A389 PolarHBondContact O-N 3.13Å; Q386-A389 VanDerWaalsContact O-N 3.1Å; Q386-E390 HydrophobicContact CG-CG 4.29Å; Q386-E390 PolarHBondContact NE2-OE1 3.3Å; Q386-E390 WeakPolarHBondContact O-CG 3.45Å; Q386-E390 PolarHBondContact O-N 3.5Å; Q386-V431 HydrophobicContact CG-CG1 3.8Å
387N87.9Confident88.8Confident73 Ų7346.7 Ų46.739%0.3924%0.238SC..Hα-helixtrans-58.9-43.3-177.8-63.8-14.4000111.5N384 E390 Q391N384-N387 PolarHBondContact O-N 3.01Å; N387-E390 PolarHBondContact O-N 2.86Å; N387-Q391 WeakPolarHBondContact O-CG 3.41Å; N387-Q391 PolarHBondContact O-N 3.4Å
388Y91Very high88.9Confident3 Ų349.4 Ų49.41%0.01225%0.249CC..Hα-helixtrans-66.7-37.8177-67-54.5000112.8H338 P340 N377 A381 N384 R385 Q386 L392H338-Y388 PolarHBondContact O-OH 3.16Å; P340-Y388 WeakPolarHBondContact CD-OH 3.46Å; P340-Y388 HydrophobicContact CG-CE1 3.98Å; P340-Y388 HydrophobicContact CG-CE2 4.05Å; P340-Y388 VanDerWaalsContact CG-CZ 3.47Å; P340-Y388 WeakPolarHBondContact CG-OH 3.34Å; N377-Y388 HydrophobicContact CB-CD1 4.4Å; N377-Y388 HydrophobicContact CB-CD2 4.39Å; N377-Y388 HydrophobicContact CB-CE1 3.79Å; N377-Y388 HydrophobicContact CB-CE2 3.76Å; N377-Y388 VanDerWaalsContact CB-CZ 3.42Å; N377-Y388 WeakPolarHBondContact CB-OH 3.43Å; A381-Y388 HydrophobicContact CB-CE2 4.17Å; N384-Y388 HydrophobicContact CB-CD2 4.23Å; N384-Y388 HydrophobicContact CB-CE2 3.81Å; N384-Y388 VanDerWaalsContact O-CD2 3.23Å; N384-Y388 WeakPolarHBondContact O-CD2 3.46Å; N384-Y388 PolarHBondContact O-N 3.03Å; R385-Y388 PolarHBondContact O-N 2.88Å; Q386-Y388 VanDerWaalsContact C-N 3.31Å; Q386-Y388 PolarHBondContact O-N 3.2Å; Y388-L392 PolarHBondContact O-N 3.36Å; Y388-L392 VanDerWaalsContact O-N 3.07Å
389A92.8Very high88.8Confident0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-65.7-40.2174.700000111.5F378 R385 Q386 L392 L393 L424 L432 V435F378-A389 HydrophobicContact CE2-CB 4.32Å; R385-A389 WeakPolarHBondContact O-CB 3.49Å; R385-A389 PolarHBondContact O-N 2.84Å; Q386-A389 WeakPolarHBondContact O-CB 3.41Å; Q386-A389 PolarHBondContact O-N 3.13Å; Q386-A389 VanDerWaalsContact O-N 3.1Å; A389-L392 WeakPolarHBondContact O-CB 3.49Å; A389-L392 PolarHBondContact O-N 3.32Å; A389-L393 PolarHBondContact O-N 3.48Å; A389-L424 HydrophobicContact CB-CD1 4.42Å; A389-L424 HydrophobicContact CB-CD2 3.8Å; A389-L432 HydrophobicContact CB-CD2 4.16Å; A389-V435 HydrophobicContact CB-CB 4.26Å; A389-V435 HydrophobicContact CB-CG1 3.69Å; A389-V435 VanDerWaalsContact O-CG1 3.3Å; A389-V435 WeakPolarHBondContact O-CG1 3.25Å
390E92Very high88.5Confident47 Ų4748.3 Ų48.322%0.2224%0.242CC..Hα-helixtrans-67.4-39.3177.1-71.1177.9165.200112.2Q386 N387 L392 L393 D394 V435 Y474Q386-E390 HydrophobicContact CG-CG 4.29Å; Q386-E390 PolarHBondContact NE2-OE1 3.3Å; Q386-E390 WeakPolarHBondContact O-CG 3.45Å; Q386-E390 PolarHBondContact O-N 3.5Å; N387-E390 PolarHBondContact O-N 2.86Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.44Å; E390-L393 WeakPolarHBondContact O-CB 3.09Å; E390-L393 PolarHBondContact O-N 2.98Å; E390-L393 VanDerWaalsContact O-N 3.15Å; E390-D394 PolarHBondContact O-N 3.11Å; E390-V435 HydrophobicContact CG-CG2 3.98Å; E390-Y474 HydrophobicContact CG-CE2 4.22Å; E390-Y474 WeakPolarHBondContact CG-OH 3.38Å; E390-Y474 PolarHBondContact OE1-OH 3.03Å
391Q91.6Very high88.2Confident15 Ų1545.9 Ų45.97%0.0723%0.232CC..Hα-helixtrans-59.7-41.3170.5-74.1178.9-34.100111.9H349 I374 N387 L393 D394 W395H349-Q391 PolarHBondContact CE1-O 3.43Å; I374-Q391 HydrophobicContact CD1-CB 4.04Å; N387-Q391 WeakPolarHBondContact O-CG 3.41Å; N387-Q391 PolarHBondContact O-N 3.4Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 2.78Å; Q391-D394 PolarHBondContact O-N 3.45Å; Q391-W395 PolarHBondContact O-N 2.85Å
392L94.7Very high87.9Confident0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-65.8-34.4175.7-173.361.3000112I374 F375 Y388 A389 E390 C396 I416 F419I374-L392 HydrophobicContact CD1-CB 4.26Å; I374-L392 HydrophobicContact CD1-CD1 4.48Å; I374-L392 HydrophobicContact CG2-CB 4.3Å; F375-L392 HydrophobicContact CE1-CD2 4.21Å; Y388-L392 PolarHBondContact O-N 3.36Å; Y388-L392 VanDerWaalsContact O-N 3.07Å; A389-L392 WeakPolarHBondContact O-CB 3.49Å; A389-L392 PolarHBondContact O-N 3.32Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.44Å; L392-C396 WeakPolarHBondContact O-CB 3.45Å; L392-C396 PolarHBondContact O-N 3.07Å; L392-C396 PolarHBondContact O-SG 3.17Å; L392-I416 HydrophobicContact CD1-CD1 4.3Å; L392-I416 HydrophobicContact CD1-CG1 4.23Å; L392-I416 HydrophobicContact CD1-CG2 4.11Å; L392-I416 HydrophobicContact CD2-CG2 4.16Å; L392-I416 HydrophobicContact CG-CG2 4.3Å; L392-F419 HydrophobicContact CD2-CD1 3.69Å; L392-F419 HydrophobicContact CD2-CE1 3.82Å
393L94.3Very high87Confident4 Ų451 Ų512%0.02124%0.242CC..Hα-helixtrans-64.4-43.5174176.459.9000111.7A389 E390 Q391 W395 C396 Q397 V435 A438 V439 Y474A389-L393 PolarHBondContact O-N 3.48Å; E390-L393 WeakPolarHBondContact O-CB 3.09Å; E390-L393 PolarHBondContact O-N 2.98Å; E390-L393 VanDerWaalsContact O-N 3.15Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 2.78Å; L393-W395 PolarHBondContact O-N 3.3Å; L393-C396 CarbonylContact O-C 3.56Å; L393-C396 PolarHBondContact O-N 2.94Å; L393-C396 VanDerWaalsContact O-N 3.1Å; L393-Q397 HydrophobicContact CD1-CG 4.13Å; L393-Q397 HydrophobicContact CG-CG 4.41Å; L393-Q397 WeakPolarHBondContact O-CG 3.4Å; L393-Q397 PolarHBondContact O-N 2.99Å; L393-V435 HydrophobicContact CB-CG1 4.08Å; L393-V435 HydrophobicContact CD2-CG1 4.34Å; L393-A438 HydrophobicContact CD1-CB 3.56Å; L393-A438 HydrophobicContact CD2-CB 3.8Å; L393-A438 HydrophobicContact CG-CB 4.36Å; L393-V439 HydrophobicContact CB-CG2 3.94Å; L393-V439 HydrophobicContact CD1-CG2 4.08Å; L393-Y474 HydrophobicContact CD2-CD1 3.56Å; L393-Y474 HydrophobicContact CD2-CD2 4.31Å; L393-Y474 HydrophobicContact CD2-CE1 3.87Å; L393-Y474 HydrophobicContact CD2-CG 3.8Å
394D92.5Very high85.6Confident31 Ų3152.1 Ų52.117%0.16625%0.245CC..Hα-helixtrans-58.1-48.5177.2-163.95.5000110.6H349 Q350 E390 Q391 C396 Q397 K398H349-D394 IonicContact CD2-OD2 2.7Å; H349-D394 WeakPolarHBondContact NE2-CB 3.49Å; H349-D394 IonicContact NE2-OD2 3.17Å; H349-D394 PolarHBondContact NE2-OD2 2.99Å; H349-D394 VanDerWaalsContact NE2-OD2 3.16Å; Q350-D394 PolarHBondContact NE2-OD2 3.33Å; E390-D394 PolarHBondContact O-N 3.11Å; Q391-D394 PolarHBondContact O-N 3.45Å; D394-C396 VanDerWaalsContact C-N 3.33Å; D394-C396 PolarHBondContact O-N 3.22Å; D394-Q397 PolarHBondContact O-N 2.94Å; D394-Q397 VanDerWaalsContact O-N 3.15Å; D394-K398 WeakPolarHBondContact O-CG 3.36Å; D394-K398 PolarHBondContact O-N 3.28Å
395W94.2Very high84Confident1 Ų155.2 Ų55.20%0.00427%0.273CS..Hα-helixtrans-54.7-45.2172.1-78.9113.1000113.1H349 L352 I353 A356 F363 L366 L367 A370 Q391 L393 Q397 K398 L399H349-W395 AromaticContact CE1-CD1 3.61Å; H349-W395 AromaticContact CE1-NE1 3.35Å; H349-W395 PolarHBondContact CE1-NE1 2.82Å; H349-W395 AromaticContact ND1-NE1 3.82Å; L352-W395 HydrophobicContact CB-CZ2 4.27Å; I353-W395 HydrophobicContact CD1-CD2 3.55Å; I353-W395 HydrophobicContact CD1-CE3 3.73Å; I353-W395 HydrophobicContact CD1-CG 4.12Å; I353-W395 HydrophobicContact CD1-CH2 3.94Å; I353-W395 HydrophobicContact CD1-CZ2 3.79Å; I353-W395 HydrophobicContact CD1-CZ3 3.93Å; I353-W395 HydrophobicContact CG1-CZ2 4.46Å; A356-W395 HydrophobicContact CB-CH2 3.6Å; A356-W395 HydrophobicContact CB-CZ3 3.49Å; A356-W395 VanDerWaalsContact CB-CZ3 3.49Å; F363-W395 HydrophobicContact CD2-CE3 4.43Å; F363-W395 HydrophobicContact CD2-CZ3 4.12Å; F363-W395 AromaticContact CE2-CE3 3.81Å; F363-W395 HydrophobicContact CE2-CE3 3.81Å; F363-W395 AromaticContact CE2-CZ3 3.96Å; F363-W395 HydrophobicContact CE2-CZ3 3.96Å; F363-W395 HydrophobicContact CZ-CE3 4.15Å; L366-W395 HydrophobicContact CB-CH2 3.63Å; L366-W395 HydrophobicContact CB-CZ2 4.4Å; L366-W395 HydrophobicContact CB-CZ3 4.32Å; L367-W395 HydrophobicContact CB-CE3 4.07Å; L367-W395 HydrophobicContact CB-CZ3 4.25Å; L367-W395 HydrophobicContact CD1-CB 3.73Å; L367-W395 HydrophobicContact CD1-CD2 3.9Å; L367-W395 HydrophobicContact CD1-CE3 3.93Å; L367-W395 HydrophobicContact CD1-CG 3.81Å; A370-W395 HydrophobicContact CB-CZ2 3.81Å; Q391-W395 PolarHBondContact O-N 2.85Å; L393-W395 PolarHBondContact O-N 3.3Å; W395-Q397 PolarHBondContact O-N 2.96Å; W395-K398 PolarHBondContact O-N 3.36Å; W395-L399 PolarHBondContact O-N 3.49Å
396C92.7Very high82.3Confident0 Ų058.7 Ų58.70%030%0.296CS..Hα-helixtrans-68-32.2179.4-72.30000113.3L392 L393 D394 K398 L399 N442L392-C396 WeakPolarHBondContact O-CB 3.45Å; L392-C396 PolarHBondContact O-N 3.07Å; L392-C396 PolarHBondContact O-SG 3.17Å; L393-C396 CarbonylContact O-C 3.56Å; L393-C396 PolarHBondContact O-N 2.94Å; L393-C396 VanDerWaalsContact O-N 3.1Å; D394-C396 VanDerWaalsContact C-N 3.33Å; D394-C396 PolarHBondContact O-N 3.22Å; C396-K398 VanDerWaalsContact C-N 3.33Å; C396-L399 HydrophobicContact CB-CD1 4.39Å; C396-L399 WeakPolarHBondContact O-CB 3.44Å; C396-L399 PolarHBondContact O-N 2.87Å; C396-N442 HydrophobicContact CB-CB 4.18Å
397Q91.3Very high80.8Confident75 Ų7563 Ų6335%0.3532%0.32SS..Hα-helixtrans-66.6-38176.1-74.4175.4-11.600111.3L393 D394 W395 L399L393-Q397 HydrophobicContact CD1-CG 4.13Å; L393-Q397 HydrophobicContact CG-CG 4.41Å; L393-Q397 WeakPolarHBondContact O-CG 3.4Å; L393-Q397 PolarHBondContact O-N 2.99Å; D394-Q397 PolarHBondContact O-N 2.94Å; D394-Q397 VanDerWaalsContact O-N 3.15Å; W395-Q397 PolarHBondContact O-N 2.96Å; Q397-L399 VanDerWaalsContact C-N 3.26Å; Q397-L399 PolarHBondContact O-N 3.5Å
398K89.6Confident79.7Confident74 Ų7459.9 Ų59.932%0.32231%0.305SS..Hα-helixtrans-70.5-14.5176.9-62.6-65.3-179.9-179.50114.3I353 F363 D394 W395 C396 K400 D401I353-K398 HydrophobicContact CG2-CD 4.46Å; I353-K398 HydrophobicContact CG2-CG 4.33Å; F363-K398 HydrophobicContact CE2-CB 3.77Å; F363-K398 HydrophobicContact CZ-CB 4.4Å; D394-K398 WeakPolarHBondContact O-CG 3.36Å; D394-K398 PolarHBondContact O-N 3.28Å; W395-K398 PolarHBondContact O-N 3.36Å; C396-K398 VanDerWaalsContact C-N 3.33Å; K398-K400 PolarHBondContact O-N 3.01Å; K398-D401 WeakPolarHBondContact O-CB 3.48Å; K398-D401 PolarHBondContact O-N 3.49Å; K398-D401 VanDerWaalsContact O-N 3.12Å
399L87.7Confident79Confident5 Ų561.1 Ų61.13%0.02631%0.312CS..G310 helixtrans-60.5-29.3175.9-73.2169.3000113F363 W364 L367 W395 C396 Q397 D401 Q402 I413 L443 F447F363-L399 HydrophobicContact CE1-CD2 3.51Å; F363-L399 HydrophobicContact CE1-CG 4.45Å; F363-L399 HydrophobicContact CZ-CD2 3.73Å; F363-L399 HydrophobicContact CZ-CG 4.19Å; W364-L399 HydrophobicContact CH2-CD2 4.1Å; L367-L399 HydrophobicContact CD2-CD2 4.2Å; W395-L399 PolarHBondContact O-N 3.49Å; C396-L399 HydrophobicContact CB-CD1 4.39Å; C396-L399 WeakPolarHBondContact O-CB 3.44Å; C396-L399 PolarHBondContact O-N 2.87Å; Q397-L399 VanDerWaalsContact C-N 3.26Å; Q397-L399 PolarHBondContact O-N 3.5Å; L399-D401 PolarHBondContact O-N 2.99Å; L399-Q402 PolarHBondContact O-N 2.88Å; L399-I413 HydrophobicContact CD1-CD1 4.07Å; L399-I413 HydrophobicContact CD2-CD1 4.06Å; L399-L443 HydrophobicContact CD1-CD2 3.59Å; L399-F447 HydrophobicContact CD1-CE2 4.24Å; L399-F447 HydrophobicContact CD2-CE2 4.26Å
400K79.9Confident78.7Confident109 Ų10963.5 Ų63.547%0.47432%0.324SS..G310 helixtrans-65.4-26.5178.2-67.9178.7-176.9164.90112.8K398 Q402 N442K398-K400 PolarHBondContact O-N 3.01Å; K400-Q402 VanDerWaalsContact C-N 3.3Å; K400-N442 VanDerWaalsContact CE-OD1 3.3Å; K400-N442 WeakPolarHBondContact CE-OD1 3.43Å; K400-N442 PolarHBondContact NZ-OD1 2.58Å
401D77.7Confident78.6Confident109 Ų10966 Ų6658%0.58334%0.339SS*.G310 helixtrans-78-21.7-179.9-57.9-28.4000111.3K398 L399 R403K398-D401 WeakPolarHBondContact O-CB 3.48Å; K398-D401 PolarHBondContact O-N 3.49Å; K398-D401 VanDerWaalsContact O-N 3.12Å; L399-D401 PolarHBondContact O-N 2.99Å; D401-R403 PolarHBondContact O-N 3.49Å; D401-R403 VanDerWaalsContact O-N 3.16Å
402Q73.8Confident78.7Confident34 Ų3465.4 Ų65.416%0.15934%0.336CS..SBendtrans-79.398.4176.9-55.2-56.8-36.200109.1F363 L399 K400 T404F363-Q402 HydrophobicContact CD1-CG 3.72Å; F363-Q402 HydrophobicContact CD2-CG 4.21Å; F363-Q402 HydrophobicContact CE1-CG 3.91Å; F363-Q402 HydrophobicContact CE2-CG 4.38Å; F363-Q402 HydrophobicContact CG-CG 3.88Å; F363-Q402 HydrophobicContact CZ-CG 4.23Å; L399-Q402 PolarHBondContact O-N 2.88Å; K400-Q402 VanDerWaalsContact C-N 3.3Å; Q402-T404 PolarHBondContact O-N 3.17Å; Q402-T404 VanDerWaalsContact O-N 3.16Å
403R57.7Low78.5Confident232 Ų23265.4 Ų65.488%0.87534%0.336SS*.  trans-51.4124.3178.1-66.7-178.3-178.3-178.61.6109D401 A405D401-R403 PolarHBondContact O-N 3.49Å; D401-R403 VanDerWaalsContact O-N 3.16Å; R403-A405 PolarHBondContact O-N 3.38Å
404T53.3Low78.5Confident128 Ų12871 Ų7179%0.78536%0.357SS*.THydrogen-bonded Turntrans-58.512-173.149.20000116.7Q402Q402-T404 PolarHBondContact O-N 3.17Å; Q402-T404 VanDerWaalsContact O-N 3.16Å
405A50.5Low78.6Confident86 Ų8674.7 Ų74.771%0.71137%0.368SS*.THydrogen-bonded Turntrans-87.1-26.7-170.200000114.4R403R403-A405 PolarHBondContact O-N 3.38Å
406D54.8Low78.7Confident130 Ų13074.7 Ų74.770%0.69537%0.368SS*.SBendtrans-104.1129.3174.6-74.3-40.7000110.2G408D406-G408 PolarHBondContact O-N 2.96Å
407I57.7Low78.8Confident167 Ų16776.8 Ų76.886%0.85638%0.377SS*.  trans-63.588.7-179.7-57.9169.1000107.3M410I407-M410 HydrophobicContact CG2-CG 4.49Å
408G64.1Low78.9Confident8 Ų876.6 Ų76.68%0.08238%0.381CS..  trans-57.2169.6170.500000111.5W364 D406 M410W364-G408 VanDerWaalsContact CZ2-CA 3.42Å; D406-G408 PolarHBondContact O-N 2.96Å; G408-M410 VanDerWaalsContact C-N 3.26Å; G408-M410 PolarHBondContact O-N 3.05Å
409D76.5Confident79.2Confident29 Ų2973.7 Ų73.716%0.15537%0.369CS..  trans-64.984179.8179.619.6000111.1W364 R368 D411 I412 I413W364-D409 HydrophobicContact CE3-CB 3.99Å; W364-D409 HydrophobicContact CZ3-CB 4.4Å; R368-D409 IonicContact CZ-OD2 2.79Å; R368-D409 IonicContact NE-OD2 3.25Å; R368-D409 PolarHBondContact NE-OD2 3.49Å; R368-D409 IonicContact NH2-OD1 2.65Å; R368-D409 PolarHBondContact NH2-OD1 3.06Å; R368-D409 IonicContact NH2-OD2 3.07Å; R368-D409 PolarHBondContact NH2-OD2 2.73Å; D409-D411 PolarHBondContact O-N 3.15Å; D409-D411 PolarHBondContact OD1-N 3.49Å; D409-I412 HydrophobicContact CB-CG2 3.87Å; D409-I412 WeakPolarHBondContact O-CG2 3.22Å; D409-I412 PolarHBondContact O-N 2.91Å; D409-I413 PolarHBondContact O-N 3.37Å
410M86Confident79.6Confident49 Ų4973.4 Ų73.424%0.24137%0.367CS..Hα-helixtrans-60.5-21.8-177.6-73.1-61.2-61.400111.9I407 G408 R414 F447 L450I407-M410 HydrophobicContact CG2-CG 4.49Å; G408-M410 VanDerWaalsContact C-N 3.26Å; G408-M410 PolarHBondContact O-N 3.05Å; M410-R414 VanDerWaalsContact O-CG 3.27Å; M410-R414 WeakPolarHBondContact O-CG 3.39Å; M410-R414 PolarHBondContact O-N 3.25Å; M410-F447 HydrophobicContact SD-CD1 4.12Å; M410-F447 HydrophobicContact SD-CE1 4.07Å; M410-L450 HydrophobicContact CE-CD1 3.78Å; M410-L450 HydrophobicContact CE-CD2 3.78Å; M410-L450 HydrophobicContact CE-CG 4.02Å
411D90.3Very high80.2Confident101 Ų10171.9 Ų71.954%0.5436%0.361SS..Hα-helixtrans-69.5-41.6176-66.5-23.7000111.3D409 I413 R414 R415D409-D411 PolarHBondContact O-N 3.15Å; D409-D411 PolarHBondContact OD1-N 3.49Å; D411-I413 PolarHBondContact O-N 2.67Å; D411-R414 PolarHBondContact O-N 2.83Å; D411-R414 IonicContact OD1-NH1 3.3Å; D411-R414 PolarHBondContact OD1-NH1 3.44Å; D411-R415 VanDerWaalsContact O-CG 3.28Å; D411-R415 WeakPolarHBondContact O-CG 3.49Å; D411-R415 PolarHBondContact O-N 2.97Å
412I92.5Very high81Confident1 Ų172.9 Ų72.91%0.00536%0.362CS..Hα-helixtrans-65.7-40.1174.4-164.161.1000111.4W364 L367 A371 F375 D409 R414 R415 I416W364-I412 HydrophobicContact CE3-CG2 4.16Å; W364-I412 HydrophobicContact CZ3-CG2 3.93Å; L367-I412 HydrophobicContact CD2-CG2 4.31Å; A371-I412 HydrophobicContact CB-CD1 3.73Å; A371-I412 HydrophobicContact CB-CG1 4.02Å; F375-I412 HydrophobicContact CE2-CD1 4.13Å; D409-I412 HydrophobicContact CB-CG2 3.87Å; D409-I412 WeakPolarHBondContact O-CG2 3.22Å; D409-I412 PolarHBondContact O-N 2.91Å; I412-R414 PolarHBondContact O-N 3.33Å; I412-R415 HydrophobicContact CD1-CB 4.43Å; I412-R415 WeakPolarHBondContact O-CB 3.44Å; I412-R415 PolarHBondContact O-N 3.22Å; I412-R415 VanDerWaalsContact O-N 3.15Å; I412-I416 HydrophobicContact CG1-CD1 4.21Å; I412-I416 HydrophobicContact CG1-CG1 4.41Å; I412-I416 VanDerWaalsContact O-CG1 3.3Å; I412-I416 WeakPolarHBondContact O-CG1 3.29Å; I412-I416 PolarHBondContact O-N 2.99Å
413I91.9Very high82Confident1 Ų173.7 Ų73.71%0.00537%0.367CS..Hα-helixtrans-63-41.5178.5-60-57.2000111.5W364 L367 L399 D409 D411 I416 K417 L443 F447 L450W364-I413 HydrophobicContact CH2-CD1 3.87Å; W364-I413 HydrophobicContact CH2-CG1 3.93Å; W364-I413 HydrophobicContact CZ3-CD1 3.8Å; W364-I413 HydrophobicContact CZ3-CG1 3.92Å; L367-I413 HydrophobicContact CD2-CD1 4.43Å; L399-I413 HydrophobicContact CD1-CD1 4.07Å; L399-I413 HydrophobicContact CD2-CD1 4.06Å; D409-I413 PolarHBondContact O-N 3.37Å; D411-I413 PolarHBondContact O-N 2.67Å; I413-I416 HydrophobicContact CD1-CD1 4.41Å; I413-I416 PolarHBondContact O-N 3.5Å; I413-K417 PolarHBondContact O-N 2.96Å; I413-L443 HydrophobicContact CD1-CD2 4.44Å; I413-L443 HydrophobicContact CG2-CD2 4.2Å; I413-F447 HydrophobicContact CD1-CE2 3.87Å; I413-F447 HydrophobicContact CD1-CZ 4.4Å; I413-F447 HydrophobicContact CG1-CD2 4.47Å; I413-F447 HydrophobicContact CG1-CE2 3.97Å; I413-F447 HydrophobicContact CG1-CZ 4.19Å; I413-F447 HydrophobicContact CG2-CD2 3.8Å; I413-F447 HydrophobicContact CG2-CE2 4.15Å; I413-F447 HydrophobicContact CG2-CG 4.21Å; I413-L450 HydrophobicContact CB-CD1 4.47Å; I413-L450 HydrophobicContact CG2-CD1 3.43Å; I413-L450 VanDerWaalsContact CG2-CD1 3.43Å
414R93.3Very high83.7Confident120 Ų12062.7 Ų62.745%0.45333%0.326SS..Hα-helixtrans-62-42.6173.8-73.2175.4-166115.51.9111.6M410 D411 I412 K417 V418 L450M410-R414 VanDerWaalsContact O-CG 3.27Å; M410-R414 WeakPolarHBondContact O-CG 3.39Å; M410-R414 PolarHBondContact O-N 3.25Å; D411-R414 PolarHBondContact O-N 2.83Å; D411-R414 IonicContact OD1-NH1 3.3Å; D411-R414 PolarHBondContact OD1-NH1 3.44Å; I412-R414 PolarHBondContact O-N 3.33Å; R414-K417 PolarHBondContact O-N 3.19Å; R414-V418 WeakPolarHBondContact O-CG2 3.47Å; R414-V418 PolarHBondContact O-N 2.87Å; R414-L450 HydrophobicContact CG-CD2 4.48Å
415R95.2Very high85.6Confident110 Ų11057.4 Ų57.442%0.41529%0.293SS..Hα-helixtrans-61.9-43.3176.3-70.4169.566.6-154.7-2.5111.7D372 F375 D411 I412 V418 F419D372-R415 IonicContact OD1-CZ 2.79Å; D372-R415 IonicContact OD1-NH1 2.77Å; D372-R415 PolarHBondContact OD1-NH1 3.39Å; D372-R415 IonicContact OD1-NH2 3.2Å; D372-R415 PolarHBondContact OD1-NH2 3.39Å; F375-R415 HydrophobicContact CE2-CB 4.1Å; D411-R415 VanDerWaalsContact O-CG 3.28Å; D411-R415 WeakPolarHBondContact O-CG 3.49Å; D411-R415 PolarHBondContact O-N 2.97Å; I412-R415 HydrophobicContact CD1-CB 4.43Å; I412-R415 WeakPolarHBondContact O-CB 3.44Å; I412-R415 PolarHBondContact O-N 3.22Å; I412-R415 VanDerWaalsContact O-N 3.15Å; R415-V418 PolarHBondContact O-N 3.39Å; R415-F419 VanDerWaalsContact O-CB 3.31Å; R415-F419 WeakPolarHBondContact O-CB 3.31Å; R415-F419 PolarHBondContact O-N 3.12Å
416I95.3Very high87.6Confident0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-62.7-44.2175.5-61.9168.1000110.7L367 F375 L392 I412 I413 V418 F419 A420 V439 L443L367-I416 HydrophobicContact CD1-CD1 4.27Å; F375-I416 HydrophobicContact CZ-CB 4.45Å; F375-I416 HydrophobicContact CZ-CG1 3.77Å; L392-I416 HydrophobicContact CD1-CD1 4.3Å; L392-I416 HydrophobicContact CD1-CG1 4.23Å; L392-I416 HydrophobicContact CD1-CG2 4.11Å; L392-I416 HydrophobicContact CD2-CG2 4.16Å; L392-I416 HydrophobicContact CG-CG2 4.3Å; I412-I416 HydrophobicContact CG1-CD1 4.21Å; I412-I416 HydrophobicContact CG1-CG1 4.41Å; I412-I416 VanDerWaalsContact O-CG1 3.3Å; I412-I416 WeakPolarHBondContact O-CG1 3.29Å; I412-I416 PolarHBondContact O-N 2.99Å; I413-I416 HydrophobicContact CD1-CD1 4.41Å; I413-I416 PolarHBondContact O-N 3.5Å; I416-V418 PolarHBondContact O-N 3.44Å; I416-F419 PolarHBondContact O-N 3.44Å; I416-A420 WeakPolarHBondContact O-CB 3.28Å; I416-A420 PolarHBondContact O-N 2.75Å; I416-V439 HydrophobicContact CG2-CG1 4.16Å; I416-L443 HydrophobicContact CB-CD1 4.46Å; I416-L443 HydrophobicContact CG2-CD1 3.77Å; I416-L443 HydrophobicContact CG2-CD2 4.37Å
417K94.6Very high89.3Confident44 Ų4451.5 Ų51.519%0.19126%0.26CS..Hα-helixtrans-57.6-49.3176.4-177.2-165.5173.1-168.20111.4I413 R414 A420 K421 L450 F451 D455I413-K417 PolarHBondContact O-N 2.96Å; R414-K417 PolarHBondContact O-N 3.19Å; K417-A420 PolarHBondContact O-N 2.85Å; K417-K421 PolarHBondContact O-N 3.28Å; K417-L450 WeakPolarHBondContact CE-O 3.32Å; K417-L450 PolarHBondContact NZ-O 2.94Å; K417-F451 HydrophobicContact CG-CE1 4.49Å; K417-F451 HydrophobicContact CG-CZ 4.31Å; K417-D455 WeakPolarHBondContact CE-OD2 3.32Å; K417-D455 IonicContact NZ-OD1 2.95Å; K417-D455 IonicContact NZ-OD2 2.8Å; K417-D455 PolarHBondContact NZ-OD2 3.37Å
418V95.2Very high90.8Very high71 Ų7151.6 Ų51.643%0.4326%0.263SS..Hα-helixtrans-61.5-46.6178.8172.70000110.2R414 R415 I416 A420 K421 E422R414-V418 WeakPolarHBondContact O-CG2 3.47Å; R414-V418 PolarHBondContact O-N 2.87Å; R415-V418 PolarHBondContact O-N 3.39Å; I416-V418 PolarHBondContact O-N 3.44Å; V418-A420 PolarHBondContact O-N 3.41Å; V418-K421 PolarHBondContact O-N 3.31Å; V418-E422 HydrophobicContact CG1-CG 4.23Å; V418-E422 WeakPolarHBondContact O-CB 3.15Å; V418-E422 WeakPolarHBondContact O-CG 3.22Å; V418-E422 PolarHBondContact O-N 3.44Å
419F95.9Very high92Very high13 Ų1356 Ų566%0.05728%0.281CS..Hα-helixtrans-57.1-47.4176.8-179.4-92.1000112.2F375 F378 L392 R415 I416 K421 E422 N423 L424F375-F419 HydrophobicContact CD1-CB 4.29Å; F375-F419 HydrophobicContact CD1-CD1 4.11Å; F375-F419 AromaticContact CD1-CD2 3.5Å; F375-F419 HydrophobicContact CD1-CD2 3.5Å; F375-F419 HydrophobicContact CD1-CE1 4.33Å; F375-F419 AromaticContact CD1-CE2 3.75Å; F375-F419 HydrophobicContact CD1-CE2 3.75Å; F375-F419 AromaticContact CD1-CG 3.7Å; F375-F419 HydrophobicContact CD1-CG 3.7Å; F375-F419 HydrophobicContact CD1-CZ 4.15Å; F375-F419 HydrophobicContact CE1-CB 3.82Å; F375-F419 AromaticContact CE1-CD1 3.86Å; F375-F419 HydrophobicContact CE1-CD1 3.86Å; F375-F419 AromaticContact CE1-CD2 3.9Å; F375-F419 HydrophobicContact CE1-CD2 3.9Å; F375-F419 HydrophobicContact CE1-CE1 4.4Å; F375-F419 HydrophobicContact CE1-CE2 4.44Å; F375-F419 AromaticContact CE1-CG 3.57Å; F375-F419 HydrophobicContact CE1-CG 3.57Å; F375-F419 HydrophobicContact CG-CD2 4.23Å; F375-F419 HydrophobicContact CZ-CB 4.27Å; F375-F419 HydrophobicContact CZ-CG 4.48Å; F378-F419 HydrophobicContact CB-CE2 4.35Å; F378-F419 HydrophobicContact CB-CZ 3.99Å; F378-F419 AromaticContact CD1-CE2 3.95Å; F378-F419 HydrophobicContact CD1-CE2 3.95Å; F378-F419 AromaticContact CD1-CZ 3.66Å; F378-F419 HydrophobicContact CD1-CZ 3.66Å; F378-F419 AromaticContact CD2-CZ 3.88Å; F378-F419 HydrophobicContact CD2-CZ 3.88Å; F378-F419 HydrophobicContact CE1-CE2 4.49Å; F378-F419 HydrophobicContact CE1-CZ 4.06Å; F378-F419 HydrophobicContact CE2-CZ 4.24Å; F378-F419 HydrophobicContact CG-CE2 4.17Å; F378-F419 AromaticContact CG-CZ 3.58Å; F378-F419 HydrophobicContact CG-CZ 3.58Å; F378-F419 HydrophobicContact CZ-CZ 4.33Å; L392-F419 HydrophobicContact CD2-CD1 3.69Å; L392-F419 HydrophobicContact CD2-CE1 3.82Å; R415-F419 VanDerWaalsContact O-CB 3.31Å; R415-F419 WeakPolarHBondContact O-CB 3.31Å; R415-F419 PolarHBondContact O-N 3.12Å; I416-F419 PolarHBondContact O-N 3.44Å; F419-K421 PolarHBondContact O-N 3.37Å; F419-E422 PolarHBondContact O-N 3.05Å; F419-N423 HydrophobicContact CD2-CB 4.41Å; F419-N423 HydrophobicContact CE2-CB 4.22Å; F419-N423 HydrophobicContact CZ-CB 4.33Å; F419-N423 VanDerWaalsContact O-CB 3.31Å; F419-N423 WeakPolarHBondContact O-CB 3.43Å; F419-N423 PolarHBondContact O-N 3.43Å; F419-N423 PolarHBondContact O-ND2 2.94Å; F419-L424 HydrophobicContact CD1-CD1 4.48Å; F419-L424 HydrophobicContact CD1-CG 4.47Å; F419-L424 HydrophobicContact CE1-CD1 4.29Å; F419-L424 HydrophobicContact CE1-CD2 4.23Å; F419-L424 HydrophobicContact CE1-CG 4.17Å
420A95.1Very high92.6Very high0 Ų058.2 Ų58.20%029%0.29CS..Iπ-helixtrans-62.2-41.5178.200000112.2I416 K417 V418 L424 L425 V439I416-A420 WeakPolarHBondContact O-CB 3.28Å; I416-A420 PolarHBondContact O-N 2.75Å; K417-A420 PolarHBondContact O-N 2.85Å; V418-A420 PolarHBondContact O-N 3.41Å; A420-L424 HydrophobicContact CB-CD1 4.35Å; A420-L424 WeakPolarHBondContact O-CB 3.33Å; A420-L424 PolarHBondContact O-N 2.85Å; A420-L425 PolarHBondContact O-N 3.07Å; A420-V439 HydrophobicContact CB-CG1 3.85Å
421K93.7Very high92.8Very high76 Ų7658.6 Ų58.633%0.3329%0.294SS..Iπ-helixtrans-66.4-48.3178-172.3169.7-176.5163.60112K417 V418 F419 A426 D455K417-K421 PolarHBondContact O-N 3.28Å; V418-K421 PolarHBondContact O-N 3.31Å; F419-K421 PolarHBondContact O-N 3.37Å; K421-A426 WeakPolarHBondContact O-CB 3.33Å; K421-A426 PolarHBondContact O-N 2.9Å; K421-D455 IonicContact NZ-OD1 3.97Å; K421-D455 PolarHBondContact NZ-OD1 3.1Å
422E93.7Very high93Very high131 Ų13153.9 Ų53.961%0.61227%0.269SS*.Iπ-helixtrans-83.7-28.7-171.2-67-179.6172.300114.2V418 F419V418-E422 HydrophobicContact CG1-CG 4.23Å; V418-E422 WeakPolarHBondContact O-CB 3.15Å; V418-E422 WeakPolarHBondContact O-CG 3.22Å; V418-E422 PolarHBondContact O-N 3.44Å; F419-E422 PolarHBondContact O-N 3.05Å
423N93.7Very high93Very high51 Ų5154.4 Ų54.427%0.27327%0.272SS..Iπ-helixtrans-115.2-30.1-172.1-60.9-89.3000113.7F378 F419F378-N423 HydrophobicContact CE1-CB 3.92Å; F378-N423 HydrophobicContact CZ-CB 4.4Å; F419-N423 HydrophobicContact CD2-CB 4.41Å; F419-N423 HydrophobicContact CE2-CB 4.22Å; F419-N423 HydrophobicContact CZ-CB 4.33Å; F419-N423 VanDerWaalsContact O-CB 3.31Å; F419-N423 WeakPolarHBondContact O-CB 3.43Å; F419-N423 PolarHBondContact O-N 3.43Å; F419-N423 PolarHBondContact O-ND2 2.94Å
424L94.7Very high93.1Very high0 Ų054.6 Ų54.60%027%0.273CS..Iπ-helixtrans-98.4-59.2-177.6-53.8-178.2000111.3F378 A389 F419 A420 A426 S427 L432 N433 G436 V439F378-L424 HydrophobicContact CE2-CD2 3.9Å; F378-L424 HydrophobicContact CZ-CD2 3.86Å; A389-L424 HydrophobicContact CB-CD1 4.42Å; A389-L424 HydrophobicContact CB-CD2 3.8Å; F419-L424 HydrophobicContact CD1-CD1 4.48Å; F419-L424 HydrophobicContact CD1-CG 4.47Å; F419-L424 HydrophobicContact CE1-CD1 4.29Å; F419-L424 HydrophobicContact CE1-CD2 4.23Å; F419-L424 HydrophobicContact CE1-CG 4.17Å; A420-L424 HydrophobicContact CB-CD1 4.35Å; A420-L424 WeakPolarHBondContact O-CB 3.33Å; A420-L424 PolarHBondContact O-N 2.85Å; L424-A426 PolarHBondContact O-N 3.38Å; L424-S427 VanDerWaalsContact O-CB 3.23Å; L424-S427 WeakPolarHBondContact O-CB 3.43Å; L424-S427 PolarHBondContact O-N 2.86Å; L424-L432 HydrophobicContact CD2-CD2 4.3Å; L424-N433 PolarHBondContact O-OD1 3.27Å; L424-G436 VanDerWaalsContact CB-CA 3.5Å; L424-V439 HydrophobicContact CD1-CG2 4.29Å
425L93.3Very high93.1Very high17 Ų1748.9 Ų48.99%0.08925%0.252CS..Iπ-helixtrans-69.9-30.5-177.7-68.4179.4000113.9A420 S427 N433 V437 I459 K462A420-L425 PolarHBondContact O-N 3.07Å; L425-S427 VanDerWaalsContact C-N 3.27Å; L425-N433 PolarHBondContact O-OD1 2.92Å; L425-V437 HydrophobicContact CD2-CB 4.48Å; L425-V437 HydrophobicContact CD2-CG2 3.69Å; L425-I459 HydrophobicContact CD1-CG1 4.44Å; L425-K462 HydrophobicContact CD2-CG 4.3Å
426A92.4Very high93.1Very high69 Ų6943.7 Ų43.757%0.5723%0.232SC*.THydrogen-bonded Turntrans-840.6176.400000113.1K421 L424K421-A426 WeakPolarHBondContact O-CB 3.33Å; K421-A426 PolarHBondContact O-N 2.9Å; L424-A426 PolarHBondContact O-N 3.38Å
427S90.9Very high93.1Very high23 Ų2343.7 Ų43.716%0.16123%0.232CC..  trans-73146.5-179.5-1650000112.1L424 L425 Q429 L432 N433L424-S427 VanDerWaalsContact O-CB 3.23Å; L424-S427 WeakPolarHBondContact O-CB 3.43Å; L424-S427 PolarHBondContact O-N 2.86Å; L425-S427 VanDerWaalsContact C-N 3.27Å; S427-Q429 PolarHBondContact OG-N 3.28Å; S427-L432 WeakPolarHBondContact OG-CD1 3.34Å; S427-N433 PolarHBondContact O-ND2 3.42Å; S427-N433 PolarHBondContact O-OD1 2.83Å
428D87.9Confident93.1Very high169 Ų16941.7 Ų41.790%0.90422%0.224SC*.SBendtrans-77.2-12.6168.4-65.5-35.9000112.1F430D428-F430 PolarHBondContact O-N 3.45Å
429Q89.6Confident93.1Very high100 Ų10038.3 Ų38.347%0.46720%0.203SC..  trans-82.6118.5-179.3-61.1-175.54.200111S427 V431 L432 N433S427-Q429 PolarHBondContact OG-N 3.28Å; Q429-V431 PolarHBondContact O-N 3.12Å; Q429-V431 VanDerWaalsContact O-N 3.16Å; Q429-L432 HydrophobicContact CB-CB 4.2Å; Q429-L432 HydrophobicContact CB-CD1 4.11Å; Q429-L432 HydrophobicContact CB-CG 4.06Å; Q429-L432 HydrophobicContact CG-CD1 4.37Å; Q429-L432 PolarHBondContact O-N 3.38Å; Q429-L432 VanDerWaalsContact O-N 3.12Å; Q429-L432 VanDerWaalsContact OE1-CD1 3.25Å; Q429-N433 PolarHBondContact O-N 2.71Å
430F90Very high93Very high77 Ų7737.9 Ų37.934%0.33820%0.202SC..Hα-helixtrans-50.9-41.7178-179.6-89.2000112.9D428 N433 D434 L466 V469 P472D428-F430 PolarHBondContact O-N 3.45Å; F430-N433 PolarHBondContact O-N 3.17Å; F430-D434 PolarHBondContact O-N 3.01Å; F430-L466 HydrophobicContact CD2-CD2 3.61Å; F430-L466 HydrophobicContact CE1-CD2 4.33Å; F430-L466 HydrophobicContact CE2-CB 4.48Å; F430-L466 HydrophobicContact CE2-CD2 3.4Å; F430-L466 HydrophobicContact CG-CD2 4.18Å; F430-L466 HydrophobicContact CZ-CD2 3.78Å; F430-V469 HydrophobicContact CE2-CB 4.3Å; F430-V469 HydrophobicContact CE2-CG1 4.4Å; F430-P472 HydrophobicContact CZ-CB 4.48Å
431V90.7Very high93Very high56 Ų5638 Ų3834%0.33920%0.203SC..Hα-helixtrans-67.6-40.5-178-174.70000112.2Q386 Q429 D434 V435Q386-V431 HydrophobicContact CG-CG1 3.8Å; Q429-V431 PolarHBondContact O-N 3.12Å; Q429-V431 VanDerWaalsContact O-N 3.16Å; V431-D434 PolarHBondContact O-N 3.4Å; V431-V435 WeakPolarHBondContact O-CG2 3.19Å; V431-V435 PolarHBondContact O-N 3.28Å; V431-V435 VanDerWaalsContact O-N 3.15Å
432L93.2Very high92.9Very high3 Ų335.1 Ų35.12%0.01619%0.191CC..Hα-helixtrans-69.5-36.1176.8-66-178.4000111.7F378 R385 A389 L424 S427 Q429 D434 V435 G436F378-L432 HydrophobicContact CE2-CD2 4.27Å; F378-L432 HydrophobicContact CZ-CD1 4.24Å; F378-L432 HydrophobicContact CZ-CD2 4.48Å; R385-L432 HydrophobicContact CB-CD1 4.49Å; R385-L432 HydrophobicContact CB-CD2 4.37Å; A389-L432 HydrophobicContact CB-CD2 4.16Å; L424-L432 HydrophobicContact CD2-CD2 4.3Å; S427-L432 WeakPolarHBondContact OG-CD1 3.34Å; Q429-L432 HydrophobicContact CB-CB 4.2Å; Q429-L432 HydrophobicContact CB-CD1 4.11Å; Q429-L432 HydrophobicContact CB-CG 4.06Å; Q429-L432 HydrophobicContact CG-CD1 4.37Å; Q429-L432 PolarHBondContact O-N 3.38Å; Q429-L432 VanDerWaalsContact O-N 3.12Å; Q429-L432 VanDerWaalsContact OE1-CD1 3.25Å; L432-D434 VanDerWaalsContact C-N 3.33Å; L432-D434 PolarHBondContact O-N 3.32Å; L432-V435 PolarHBondContact O-N 2.92Å; L432-G436 PolarHBondContact O-N 3.07Å
433N93.4Very high92.8Very high11 Ų1128.9 Ų28.96%0.05916%0.162CC..Hα-helixtrans-61.9-42.1173-72.1-7000111.4L424 L425 S427 Q429 F430 G436 V437 K462 L466L424-N433 PolarHBondContact O-OD1 3.27Å; L425-N433 PolarHBondContact O-OD1 2.92Å; S427-N433 PolarHBondContact O-ND2 3.42Å; S427-N433 PolarHBondContact O-OD1 2.83Å; Q429-N433 PolarHBondContact O-N 2.71Å; F430-N433 PolarHBondContact O-N 3.17Å; N433-G436 PolarHBondContact O-N 3.09Å; N433-V437 WeakPolarHBondContact O-CG2 3.39Å; N433-V437 PolarHBondContact O-N 3.23Å; N433-K462 WeakPolarHBondContact ND2-CE 3.47Å; N433-L466 HydrophobicContact CB-CD1 4.45Å; N433-L466 HydrophobicContact CB-CD2 4.07Å
434D93.2Very high92.6Very high6 Ų626.5 Ų26.53%0.03215%0.149CC..Hα-helixtrans-60.2-46.9177.7-169.727.4000112.2F430 V431 L432 A438 L466 P472 Q473 Y474 S475F430-D434 PolarHBondContact O-N 3.01Å; V431-D434 PolarHBondContact O-N 3.4Å; L432-D434 VanDerWaalsContact C-N 3.33Å; L432-D434 PolarHBondContact O-N 3.32Å; D434-A438 PolarHBondContact O-N 2.86Å; D434-L466 HydrophobicContact CB-CD1 4.34Å; D434-L466 HydrophobicContact CB-CD2 4.46Å; D434-P472 WeakPolarHBondContact OD1-CB 3.28Å; D434-Q473 PolarHBondContact OD2-N 2.75Å; D434-Y474 PolarHBondContact OD1-N 3.01Å; D434-Y474 PolarHBondContact OD2-N 3.11Å; D434-S475 PolarHBondContact O-OG 2.66Å; D434-S475 WeakPolarHBondContact OD1-CA 3.48Å; D434-S475 WeakPolarHBondContact OD1-CB 3.44Å; D434-S475 PolarHBondContact OD1-N 2.79Å; D434-S475 PolarHBondContact OD1-OG 3.19Å
435V94Very high92.3Very high0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-66.8-40.1174.8-178.50000111.4A389 E390 L393 V431 L432 V437 A438 V439 Y474A389-V435 HydrophobicContact CB-CB 4.26Å; A389-V435 HydrophobicContact CB-CG1 3.69Å; A389-V435 VanDerWaalsContact O-CG1 3.3Å; A389-V435 WeakPolarHBondContact O-CG1 3.25Å; E390-V435 HydrophobicContact CG-CG2 3.98Å; L393-V435 HydrophobicContact CB-CG1 4.08Å; L393-V435 HydrophobicContact CD2-CG1 4.34Å; V431-V435 WeakPolarHBondContact O-CG2 3.19Å; V431-V435 PolarHBondContact O-N 3.28Å; V431-V435 VanDerWaalsContact O-N 3.15Å; L432-V435 PolarHBondContact O-N 2.92Å; V435-V437 PolarHBondContact O-N 3.42Å; V435-A438 PolarHBondContact O-N 2.81Å; V435-A438 VanDerWaalsContact O-N 3.16Å; V435-V439 HydrophobicContact CG1-CG2 4.19Å; V435-V439 WeakPolarHBondContact O-CG2 3.46Å; V435-V439 PolarHBondContact O-N 2.9Å; V435-Y474 HydrophobicContact CG2-CD2 3.81Å; V435-Y474 HydrophobicContact CG2-CE2 3.7Å
436G95.6Very high91.9Very high0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-61.7-40.3179.600000113.9L424 L432 N433 S440L424-G436 VanDerWaalsContact CB-CA 3.5Å; L432-G436 PolarHBondContact O-N 3.07Å; N433-G436 PolarHBondContact O-N 3.09Å; G436-S440 WeakPolarHBondContact O-CB 3.42Å; G436-S440 PolarHBondContact O-N 3.29Å; G436-S440 PolarHBondContact O-OG 3.02Å
437V94.7Very high91.6Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-62.9-46.3172.7168.70000109.8L425 N433 V435 V439 S440 V441 K462 L463 L466 C478L425-V437 HydrophobicContact CD2-CB 4.48Å; L425-V437 HydrophobicContact CD2-CG2 3.69Å; N433-V437 WeakPolarHBondContact O-CG2 3.39Å; N433-V437 PolarHBondContact O-N 3.23Å; V435-V437 PolarHBondContact O-N 3.42Å; V437-V439 PolarHBondContact O-N 3.15Å; V437-S440 PolarHBondContact O-N 3.38Å; V437-V441 HydrophobicContact CG1-CG2 4.24Å; V437-V441 WeakPolarHBondContact O-CB 3.39Å; V437-V441 VanDerWaalsContact O-CG2 3.25Å; V437-V441 WeakPolarHBondContact O-CG2 3.46Å; V437-V441 PolarHBondContact O-N 2.95Å; V437-K462 HydrophobicContact CG2-CB 4.01Å; V437-K462 HydrophobicContact CG2-CG 4.25Å; V437-L463 HydrophobicContact CG1-CB 4.13Å; V437-L463 HydrophobicContact CG1-CD1 4.11Å; V437-L466 HydrophobicContact CB-CD1 4.29Å; V437-L466 HydrophobicContact CG2-CD1 3.78Å; V437-C478 HydrophobicContact CG1-CB 4.35Å
438A94.5Very high91.3Very high2 Ų230.2 Ų30.22%0.01716%0.157CC..Hα-helixtrans-63.9-41.6179.800000113L393 D434 V435 N442L393-A438 HydrophobicContact CD1-CB 3.56Å; L393-A438 HydrophobicContact CD2-CB 3.8Å; L393-A438 HydrophobicContact CG-CB 4.36Å; D434-A438 PolarHBondContact O-N 2.86Å; V435-A438 PolarHBondContact O-N 2.81Å; V435-A438 VanDerWaalsContact O-N 3.16Å; A438-N442 WeakPolarHBondContact O-CB 3.49Å; A438-N442 PolarHBondContact O-N 3.36Å; A438-N442 PolarHBondContact O-ND2 3.1Å
439V95.1Very high91.1Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-60.5-50.6174.3167.80000110L393 I416 A420 L424 V435 V437 V441 N442 L443L393-V439 HydrophobicContact CB-CG2 3.94Å; L393-V439 HydrophobicContact CD1-CG2 4.08Å; I416-V439 HydrophobicContact CG2-CG1 4.16Å; A420-V439 HydrophobicContact CB-CG1 3.85Å; L424-V439 HydrophobicContact CD1-CG2 4.29Å; V435-V439 HydrophobicContact CG1-CG2 4.19Å; V435-V439 WeakPolarHBondContact O-CG2 3.46Å; V435-V439 PolarHBondContact O-N 2.9Å; V437-V439 PolarHBondContact O-N 3.15Å; V439-V441 PolarHBondContact O-N 3.07Å; V439-N442 PolarHBondContact O-N 3.09Å; V439-L443 HydrophobicContact CG1-CD1 3.94Å; V439-L443 HydrophobicContact CG1-CG 4.47Å; V439-L443 WeakPolarHBondContact O-CB 3.49Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.36Å; V439-L443 PolarHBondContact O-N 3.49Å
440S94.7Very high90.9Very high5 Ų526.5 Ų26.54%0.03514%0.14CC..Hα-helixtrans-62.8-42.6-177.2-58.20000112.3G436 V437 L443 A444 F451G436-S440 WeakPolarHBondContact O-CB 3.42Å; G436-S440 PolarHBondContact O-N 3.29Å; G436-S440 PolarHBondContact O-OG 3.02Å; V437-S440 PolarHBondContact O-N 3.38Å; S440-L443 PolarHBondContact O-N 3.14Å; S440-A444 WeakPolarHBondContact O-CB 3.48Å; S440-A444 PolarHBondContact O-N 3.36Å; S440-F451 WeakPolarHBondContact O-CZ 3.48Å
441V93.3Very high90.9Very high3 Ų323.4 Ų23.42%0.01813%0.127CC..Hα-helixtrans-66.4-44.5178.5170.70000110.9V437 V439 L443 A444 F445 I459 C478 W481V437-V441 HydrophobicContact CG1-CG2 4.24Å; V437-V441 WeakPolarHBondContact O-CB 3.39Å; V437-V441 VanDerWaalsContact O-CG2 3.25Å; V437-V441 WeakPolarHBondContact O-CG2 3.46Å; V437-V441 PolarHBondContact O-N 2.95Å; V439-V441 PolarHBondContact O-N 3.07Å; V441-L443 PolarHBondContact O-N 3.39Å; V441-A444 PolarHBondContact O-N 2.91Å; V441-F445 HydrophobicContact CG1-CD2 3.71Å; V441-F445 HydrophobicContact CG1-CE2 3.58Å; V441-F445 VanDerWaalsContact O-CD2 3.23Å; V441-F445 WeakPolarHBondContact O-CD2 3.36Å; V441-F445 PolarHBondContact O-N 3.38Å; V441-I459 HydrophobicContact CG2-CG2 3.81Å; V441-C478 HydrophobicContact CB-CB 4.35Å; V441-C478 HydrophobicContact CG1-CB 4.18Å; V441-C478 HydrophobicContact CG2-CB 4.18Å; V441-W481 HydrophobicContact CG1-CB 4.22Å; V441-W481 HydrophobicContact CG2-CB 3.99Å; V441-W481 HydrophobicContact CG2-CD2 4.1Å; V441-W481 HydrophobicContact CG2-CE3 3.93Å; V441-W481 HydrophobicContact CG2-CG 4.12Å
442N91.6Very high90.9Very high14 Ų1424.4 Ų24.48%0.07513%0.13CC..Hα-helixtrans-64.4-39.3177.4-79.4-68.2000112.7C396 K400 A438 V439 F445 S446C396-N442 HydrophobicContact CB-CB 4.18Å; K400-N442 VanDerWaalsContact CE-OD1 3.3Å; K400-N442 WeakPolarHBondContact CE-OD1 3.43Å; K400-N442 PolarHBondContact NZ-OD1 2.58Å; A438-N442 WeakPolarHBondContact O-CB 3.49Å; A438-N442 PolarHBondContact O-N 3.36Å; A438-N442 PolarHBondContact O-ND2 3.1Å; V439-N442 PolarHBondContact O-N 3.09Å; N442-F445 PolarHBondContact O-N 3.39Å; N442-S446 PolarHBondContact O-N 2.88Å; N442-S446 PolarHBondContact O-OG 3.24Å
443L91.5Very high90.9Very high1 Ų128.9 Ų28.91%0.00515%0.154CC..Hα-helixtrans-61.1-45.5171.2-73.1173000111.8L399 I413 I416 V439 S440 V441 F445 S446 F447 F451L399-L443 HydrophobicContact CD1-CD2 3.59Å; I413-L443 HydrophobicContact CD1-CD2 4.44Å; I413-L443 HydrophobicContact CG2-CD2 4.2Å; I416-L443 HydrophobicContact CB-CD1 4.46Å; I416-L443 HydrophobicContact CG2-CD1 3.77Å; I416-L443 HydrophobicContact CG2-CD2 4.37Å; V439-L443 HydrophobicContact CG1-CD1 3.94Å; V439-L443 HydrophobicContact CG1-CG 4.47Å; V439-L443 WeakPolarHBondContact O-CB 3.49Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.36Å; V439-L443 PolarHBondContact O-N 3.49Å; S440-L443 PolarHBondContact O-N 3.14Å; V441-L443 PolarHBondContact O-N 3.39Å; L443-F445 VanDerWaalsContact C-N 3.34Å; L443-F445 PolarHBondContact O-N 2.95Å; L443-S446 PolarHBondContact O-N 3.25Å; L443-S446 VanDerWaalsContact O-N 3.16Å; L443-F447 PolarHBondContact O-N 2.96Å; L443-F451 HydrophobicContact CB-CE2 3.89Å; L443-F451 HydrophobicContact CB-CZ 3.75Å
444A90.7Very high90.8Very high1 Ų134.4 Ų34.41%0.00818%0.18CC..Hα-helixtrans-66.9-33.2-178.400000113.1S440 V441 S446 S448 F451 W481 L484S440-A444 WeakPolarHBondContact O-CB 3.48Å; S440-A444 PolarHBondContact O-N 3.36Å; V441-A444 PolarHBondContact O-N 2.91Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 2.97Å; A444-S448 WeakPolarHBondContact O-CA 3.35Å; A444-S448 WeakPolarHBondContact O-CB 3.37Å; A444-S448 PolarHBondContact O-N 3.25Å; A444-S448 VanDerWaalsContact O-N 3.09Å; A444-F451 VanDerWaalsContact CA-CE2 3.47Å; A444-F451 HydrophobicContact CB-CD1 4.25Å; A444-F451 HydrophobicContact CB-CD2 3.63Å; A444-F451 HydrophobicContact CB-CE1 4.3Å; A444-F451 HydrophobicContact CB-CE2 3.69Å; A444-F451 HydrophobicContact CB-CG 3.93Å; A444-F451 HydrophobicContact CB-CZ 4.03Å; A444-W481 HydrophobicContact CB-CE3 4.43Å; A444-W481 HydrophobicContact CB-CZ3 3.68Å; A444-L484 HydrophobicContact CB-CD2 4.03Å
445F88.1Confident90.8Very high77 Ų7734.5 Ų34.534%0.33818%0.18SC..Hα-helixtrans-63.4-34.7172.7-91.2-71.9000112.6V441 N442 L443 N480 L484V441-F445 HydrophobicContact CG1-CD2 3.71Å; V441-F445 HydrophobicContact CG1-CE2 3.58Å; V441-F445 VanDerWaalsContact O-CD2 3.23Å; V441-F445 WeakPolarHBondContact O-CD2 3.36Å; V441-F445 PolarHBondContact O-N 3.38Å; N442-F445 PolarHBondContact O-N 3.39Å; L443-F445 VanDerWaalsContact C-N 3.34Å; L443-F445 PolarHBondContact O-N 2.95Å; F445-N480 HydrophobicContact CE2-CB 4.25Å; F445-N480 HydrophobicContact CZ-CB 3.74Å; F445-L484 HydrophobicContact CD1-CD1 4.31Å; F445-L484 HydrophobicContact CD1-CD2 4.17Å; F445-L484 HydrophobicContact CD2-CD2 4.33Å; F445-L484 HydrophobicContact CE1-CB 4.05Å; F445-L484 HydrophobicContact CE1-CD1 4.29Å; F445-L484 HydrophobicContact CE1-CD2 4.29Å; F445-L484 HydrophobicContact CE1-CG 4.45Å; F445-L484 HydrophobicContact CE2-CD2 4.43Å; F445-L484 HydrophobicContact CG-CD2 4.17Å; F445-L484 HydrophobicContact CZ-CB 4.01Å; F445-L484 HydrophobicContact CZ-CD2 4.4Å
446S85.2Confident90.7Very high21 Ų2134.9 Ų34.915%0.14718%0.183CC..Hα-helixtrans-88.5-35-178.6-49.20000112.3N442 L443 A444N442-S446 PolarHBondContact O-N 2.88Å; N442-S446 PolarHBondContact O-OG 3.24Å; L443-S446 PolarHBondContact O-N 3.25Å; L443-S446 VanDerWaalsContact O-N 3.16Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 2.97Å
447F86.7Confident90.7Very high44 Ų4436.4 Ų36.419%0.19319%0.192CC..  trans-134.759.2-173-56.4-76.4000111.9W364 L399 M410 I413 L443 N449 L450W364-F447 HydrophobicContact CH2-CZ 4.11Å; L399-F447 HydrophobicContact CD1-CE2 4.24Å; L399-F447 HydrophobicContact CD2-CE2 4.26Å; M410-F447 HydrophobicContact SD-CD1 4.12Å; M410-F447 HydrophobicContact SD-CE1 4.07Å; I413-F447 HydrophobicContact CD1-CE2 3.87Å; I413-F447 HydrophobicContact CD1-CZ 4.4Å; I413-F447 HydrophobicContact CG1-CD2 4.47Å; I413-F447 HydrophobicContact CG1-CE2 3.97Å; I413-F447 HydrophobicContact CG1-CZ 4.19Å; I413-F447 HydrophobicContact CG2-CD2 3.8Å; I413-F447 HydrophobicContact CG2-CE2 4.15Å; I413-F447 HydrophobicContact CG2-CG 4.21Å; L443-F447 PolarHBondContact O-N 2.96Å; F447-N449 PolarHBondContact O-N 2.96Å; F447-N449 VanDerWaalsContact O-N 3.07Å; F447-L450 HydrophobicContact CB-CD1 3.7Å; F447-L450 HydrophobicContact CB-CG 4.1Å; F447-L450 HydrophobicContact CG-CD1 4.3Å; F447-L450 WeakPolarHBondContact O-CB 3.23Å; F447-L450 PolarHBondContact O-N 3.48Å
448S83.5Confident90.6Very high45 Ų4539 Ų3932%0.31521%0.208SC..G310 helixtrans-57.4-27.8-173.964.70000114.6A444 L450 F451 K488A444-S448 WeakPolarHBondContact O-CA 3.35Å; A444-S448 WeakPolarHBondContact O-CB 3.37Å; A444-S448 PolarHBondContact O-N 3.25Å; A444-S448 VanDerWaalsContact O-N 3.09Å; S448-L450 PolarHBondContact O-N 3.41Å; S448-F451 PolarHBondContact O-N 3.35Å; S448-K488 PolarHBondContact O-NZ 3.19Å
449N83.9Confident90.6Very high152 Ų15239 Ų3981%0.81321%0.208SC*.G310 helixtrans-69.2-18.9178.5-67.6-21.3000113.6F447 F451F447-N449 PolarHBondContact O-N 2.96Å; F447-N449 VanDerWaalsContact O-N 3.07Å; N449-F451 VanDerWaalsContact C-N 3.3Å
450L86.1Confident90.6Very high38 Ų3839 Ų3920%0.19921%0.208CC..G310 helixtrans-77.8-15.2178-69.2178.6000113.4M410 I413 R414 K417 F447 S448M410-L450 HydrophobicContact CE-CD1 3.78Å; M410-L450 HydrophobicContact CE-CD2 3.78Å; M410-L450 HydrophobicContact CE-CG 4.02Å; I413-L450 HydrophobicContact CB-CD1 4.47Å; I413-L450 HydrophobicContact CG2-CD1 3.43Å; I413-L450 VanDerWaalsContact CG2-CD1 3.43Å; R414-L450 HydrophobicContact CG-CD2 4.48Å; K417-L450 WeakPolarHBondContact CE-O 3.32Å; K417-L450 PolarHBondContact NZ-O 2.94Å; F447-L450 HydrophobicContact CB-CD1 3.7Å; F447-L450 HydrophobicContact CB-CG 4.1Å; F447-L450 HydrophobicContact CG-CD1 4.3Å; F447-L450 WeakPolarHBondContact O-CB 3.23Å; F447-L450 PolarHBondContact O-N 3.48Å; S448-L450 PolarHBondContact O-N 3.41Å
451F89.2Confident90.6Very high12 Ų1240.3 Ų40.35%0.05322%0.215CC..  trans-105.3119.4-175.7-69.3-99.7000110.1K417 S440 L443 A444 S448 N449 D455 I459 K488K417-F451 HydrophobicContact CG-CE1 4.49Å; K417-F451 HydrophobicContact CG-CZ 4.31Å; S440-F451 WeakPolarHBondContact O-CZ 3.48Å; L443-F451 HydrophobicContact CB-CE2 3.89Å; L443-F451 HydrophobicContact CB-CZ 3.75Å; A444-F451 VanDerWaalsContact CA-CE2 3.47Å; A444-F451 HydrophobicContact CB-CD1 4.25Å; A444-F451 HydrophobicContact CB-CD2 3.63Å; A444-F451 HydrophobicContact CB-CE1 4.3Å; A444-F451 HydrophobicContact CB-CE2 3.69Å; A444-F451 HydrophobicContact CB-CG 3.93Å; A444-F451 HydrophobicContact CB-CZ 4.03Å; S448-F451 PolarHBondContact O-N 3.35Å; N449-F451 VanDerWaalsContact C-N 3.3Å; F451-D455 HydrophobicContact CB-CB 4.37Å; F451-D455 HydrophobicContact CD1-CB 3.98Å; F451-I459 HydrophobicContact CD1-CD1 3.74Å; F451-I459 HydrophobicContact CE1-CD1 3.77Å; F451-K488 PolarHBondContact O-NZ 2.91Å
452D91.4Very high90.6Very high78 Ų7843 Ų4342%0.41723%0.226SC..  trans-87.6-175.3177.762.434.5000112E454 D455 A456D452-E454 VanDerWaalsContact C-N 3.29Å; D452-E454 PolarHBondContact O-N 2.88Å; D452-E454 WeakPolarHBondContact OD1-CA 3.29Å; D452-E454 WeakPolarHBondContact OD1-CB 3.48Å; D452-E454 PolarHBondContact OD1-N 3.09Å; D452-D455 PolarHBondContact N-OD2 2.88Å; D452-D455 PolarHBondContact OD1-N 2.84Å; D452-A456 WeakPolarHBondContact O-CB 3.26Å; D452-A456 PolarHBondContact O-N 3.16Å; D452-A456 VanDerWaalsContact O-N 3.09Å
453N91.6Very high90.7Very high97 Ų9742.3 Ų42.352%0.51922%0.222SC..Hα-helixtrans-67.4-29.7180-68.3-7.6000112.4A456 V457 L492N453-A456 PolarHBondContact O-N 2.94Å; N453-V457 WeakPolarHBondContact O-CG2 3.28Å; N453-V457 PolarHBondContact O-N 3.29Å; N453-L492 HydrophobicContact CB-CD1 4.27Å; N453-L492 HydrophobicContact CB-CD2 4.13Å
454E92.3Very high90.7Very high127 Ų12742.2 Ų42.259%0.59322%0.222SC*.Hα-helixtrans-70.7-48.8178.7-171.5-171.2143.800110D452 A456 V457 T458D452-E454 VanDerWaalsContact C-N 3.29Å; D452-E454 PolarHBondContact O-N 2.88Å; D452-E454 WeakPolarHBondContact OD1-CA 3.29Å; D452-E454 WeakPolarHBondContact OD1-CB 3.48Å; D452-E454 PolarHBondContact OD1-N 3.09Å; E454-A456 PolarHBondContact O-N 2.84Å; E454-V457 PolarHBondContact O-N 2.83Å; E454-V457 VanDerWaalsContact O-N 3.1Å; E454-T458 PolarHBondContact O-N 2.94Å; E454-T458 PolarHBondContact O-OG1 3.48Å
455D92.7Very high90.7Very high7 Ų745 Ų454%0.03724%0.236CC..Hα-helixtrans-56.1-39.3174.2-63.3-40.3000110.5K417 K421 F451 D452 V457 T458 I459K417-D455 WeakPolarHBondContact CE-OD2 3.32Å; K417-D455 IonicContact NZ-OD1 2.95Å; K417-D455 IonicContact NZ-OD2 2.8Å; K417-D455 PolarHBondContact NZ-OD2 3.37Å; K421-D455 IonicContact NZ-OD1 3.97Å; K421-D455 PolarHBondContact NZ-OD1 3.1Å; F451-D455 HydrophobicContact CB-CB 4.37Å; F451-D455 HydrophobicContact CD1-CB 3.98Å; D452-D455 PolarHBondContact N-OD2 2.88Å; D452-D455 PolarHBondContact OD1-N 2.84Å; D455-V457 PolarHBondContact O-N 3.22Å; D455-T458 PolarHBondContact O-N 3.3Å; D455-I459 VanDerWaalsContact O-CG1 3.28Å; D455-I459 WeakPolarHBondContact O-CG1 3.28Å; D455-I459 PolarHBondContact O-N 3.27Å
456A93.1Very high90.8Very high8 Ų841.5 Ų41.57%0.06622%0.221CC..Hα-helixtrans-64.8-38.8179.900000112.9D452 N453 E454 S460 W481 L492D452-A456 WeakPolarHBondContact O-CB 3.26Å; D452-A456 PolarHBondContact O-N 3.16Å; D452-A456 VanDerWaalsContact O-N 3.09Å; N453-A456 PolarHBondContact O-N 2.94Å; E454-A456 PolarHBondContact O-N 2.84Å; A456-S460 VanDerWaalsContact O-CB 3.28Å; A456-S460 WeakPolarHBondContact O-CB 3.12Å; A456-S460 PolarHBondContact O-N 3.46Å; A456-S460 VanDerWaalsContact O-N 3.17Å; A456-S460 PolarHBondContact O-OG 3.31Å; A456-W481 HydrophobicContact CB-CH2 4.25Å; A456-W481 HydrophobicContact CB-CZ2 3.95Å; A456-L492 HydrophobicContact CB-CD2 4.09Å
457V94.6Very high91Very high32 Ų3241.7 Ų41.719%0.19422%0.221CC..Hα-helixtrans-68.1-45.4174.6172.60000110.6N453 E454 D455 S460 L461 I497 L500N453-V457 WeakPolarHBondContact O-CG2 3.28Å; N453-V457 PolarHBondContact O-N 3.29Å; E454-V457 PolarHBondContact O-N 2.83Å; E454-V457 VanDerWaalsContact O-N 3.1Å; D455-V457 PolarHBondContact O-N 3.22Å; V457-S460 PolarHBondContact O-N 2.9Å; V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.32Å; V457-L461 PolarHBondContact O-N 3.28Å; V457-I497 HydrophobicContact CG2-CG1 4.05Å; V457-L500 HydrophobicContact CG1-CD2 4.17Å
458T93.8Very high91Very high54 Ų5442.2 Ų42.233%0.33123%0.23SC..Hα-helixtrans-59.6-49.9179.7-57.50000112E454 D455 S460 L461 K462E454-T458 PolarHBondContact O-N 2.94Å; E454-T458 PolarHBondContact O-OG1 3.48Å; D455-T458 PolarHBondContact O-N 3.3Å; T458-S460 VanDerWaalsContact C-N 3.33Å; T458-S460 PolarHBondContact O-N 2.85Å; T458-L461 PolarHBondContact O-N 3.44Å; T458-K462 WeakPolarHBondContact O-CB 3.35Å; T458-K462 PolarHBondContact O-N 3.39Å
459I94.1Very high90.9Very high3 Ų345.5 Ų45.52%0.01525%0.248CC..Hα-helixtrans-62.9-42.3179.6-64.9165.1000110.3L425 V441 F451 D455 K462 L463 W481L425-I459 HydrophobicContact CD1-CG1 4.44Å; V441-I459 HydrophobicContact CG2-CG2 3.81Å; F451-I459 HydrophobicContact CD1-CD1 3.74Å; F451-I459 HydrophobicContact CE1-CD1 3.77Å; D455-I459 VanDerWaalsContact O-CG1 3.28Å; D455-I459 WeakPolarHBondContact O-CG1 3.28Å; D455-I459 PolarHBondContact O-N 3.27Å; I459-K462 PolarHBondContact O-N 2.98Å; I459-L463 VanDerWaalsContact O-CB 3.25Å; I459-L463 WeakPolarHBondContact O-CB 3.34Å; I459-L463 PolarHBondContact O-N 3.49Å; I459-W481 HydrophobicContact CB-CH2 4.34Å; I459-W481 HydrophobicContact CB-CZ2 3.86Å; I459-W481 HydrophobicContact CD1-CH2 3.82Å; I459-W481 HydrophobicContact CD1-CZ2 4.21Å; I459-W481 HydrophobicContact CD1-CZ3 4.19Å; I459-W481 HydrophobicContact CG2-CD2 3.81Å; I459-W481 HydrophobicContact CG2-CE3 4.28Å; I459-W481 HydrophobicContact CG2-CG 4.23Å; I459-W481 HydrophobicContact CG2-CH2 4.39Å; I459-W481 HydrophobicContact CG2-CZ2 3.96Å
460S94.5Very high90.1Very high0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-62.2-45.1179.7-60.50000112.6A456 V457 T458 M464 W481A456-S460 VanDerWaalsContact O-CB 3.28Å; A456-S460 WeakPolarHBondContact O-CB 3.12Å; A456-S460 PolarHBondContact O-N 3.46Å; A456-S460 VanDerWaalsContact O-N 3.17Å; A456-S460 PolarHBondContact O-OG 3.31Å; V457-S460 PolarHBondContact O-N 2.9Å; T458-S460 VanDerWaalsContact C-N 3.33Å; T458-S460 PolarHBondContact O-N 2.85Å; S460-M464 WeakPolarHBondContact O-CG 3.41Å; S460-M464 PolarHBondContact O-N 3.37Å; S460-W481 PolarHBondContact OG-NE1 3.4Å
461L94.4Very high89.5Confident33 Ų3343.7 Ų43.717%0.17326%0.256CS..Hα-helixtrans-64.6-44.9175.8-74.6173.2000111.2V457 T458 L463 M464 D465 L500 L501 K504 Y505V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.32Å; V457-L461 PolarHBondContact O-N 3.28Å; T458-L461 PolarHBondContact O-N 3.44Å; L461-L463 PolarHBondContact O-N 3.42Å; L461-M464 PolarHBondContact O-N 3.42Å; L461-M464 VanDerWaalsContact O-N 3.16Å; L461-D465 PolarHBondContact O-N 2.93Å; L461-L500 HydrophobicContact CD1-CD2 4.12Å; L461-L500 HydrophobicContact CD2-CD2 3.95Å; L461-L500 HydrophobicContact CD2-CG 4.2Å; L461-L500 HydrophobicContact CG-CD2 4.26Å; L461-L501 HydrophobicContact CD2-CD2 4.07Å; L461-K504 HydrophobicContact CD2-CD 3.78Å; L461-Y505 HydrophobicContact CD2-CE2 4.43Å; L461-Y505 PolarHBondContact O-OH 3.25Å
462K92.9Very high89.1Confident58 Ų5843.6 Ų43.625%0.25226%0.257SS..Hα-helixtrans-69.4-36.7-175.7-146.853.9166.51730112.8L425 N433 V437 T458 I459 M464 D465 L466L425-K462 HydrophobicContact CD2-CG 4.3Å; N433-K462 WeakPolarHBondContact ND2-CE 3.47Å; V437-K462 HydrophobicContact CG2-CB 4.01Å; V437-K462 HydrophobicContact CG2-CG 4.25Å; T458-K462 WeakPolarHBondContact O-CB 3.35Å; T458-K462 PolarHBondContact O-N 3.39Å; I459-K462 PolarHBondContact O-N 2.98Å; K462-M464 VanDerWaalsContact C-N 3.33Å; K462-M464 PolarHBondContact O-N 2.87Å; K462-D465 HydrophobicContact CD-CB 4.49Å; K462-D465 IonicContact NZ-OD2 2.67Å; K462-D465 PolarHBondContact O-N 2.8Å; K462-L466 VanDerWaalsContact O-CG 3.27Å; K462-L466 WeakPolarHBondContact O-CG 3.25Å; K462-L466 PolarHBondContact O-N 2.78Å; K462-L466 VanDerWaalsContact O-N 3.12Å
463L93.5Very high88.8Confident0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-58.4-45.3170.1175.954.9000111.2V437 I459 L461 L466 L467 S475 C478 W481 F482V437-L463 HydrophobicContact CG1-CB 4.13Å; V437-L463 HydrophobicContact CG1-CD1 4.11Å; I459-L463 VanDerWaalsContact O-CB 3.25Å; I459-L463 WeakPolarHBondContact O-CB 3.34Å; I459-L463 PolarHBondContact O-N 3.49Å; L461-L463 PolarHBondContact O-N 3.42Å; L463-L466 PolarHBondContact O-N 2.99Å; L463-L467 HydrophobicContact CD1-CD1 3.96Å; L463-L467 HydrophobicContact CD1-CG 4.27Å; L463-L467 HydrophobicContact CG-CD1 4.06Å; L463-L467 VanDerWaalsContact O-CG 3.27Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.48Å; L463-L467 VanDerWaalsContact O-N 3.07Å; L463-S475 VanDerWaalsContact CD1-O 3.31Å; L463-S475 WeakPolarHBondContact CD1-O 3.4Å; L463-C478 HydrophobicContact CD1-CB 4.36Å; L463-W481 HydrophobicContact CD2-CB 4.19Å; L463-W481 HydrophobicContact CD2-CG 4.39Å; L463-F482 HydrophobicContact CD2-CD2 4.34Å; L463-F482 HydrophobicContact CD2-CE2 3.59Å; L463-F482 HydrophobicContact CD2-CZ 3.87Å; L463-F482 HydrophobicContact CG-CE2 4.29Å; L463-F482 HydrophobicContact CG-CZ 4.39Å
464M92.3Very high88.6Confident0 Ų042.7 Ų42.70%025%0.246CC..Hα-helixtrans-71.2-36.9179.3-72.7-60.2-54.500113.5S460 L461 K462 L466 L467 S468 F482 L501 Y505 L509 V510 V514S460-M464 WeakPolarHBondContact O-CG 3.41Å; S460-M464 PolarHBondContact O-N 3.37Å; L461-M464 PolarHBondContact O-N 3.42Å; L461-M464 VanDerWaalsContact O-N 3.16Å; K462-M464 VanDerWaalsContact C-N 3.33Å; K462-M464 PolarHBondContact O-N 2.87Å; M464-L466 VanDerWaalsContact C-N 3.31Å; M464-L466 PolarHBondContact O-N 3.27Å; M464-L467 PolarHBondContact O-N 2.91Å; M464-L467 HydrophobicContact SD-CD1 3.95Å; M464-S468 WeakPolarHBondContact O-CB 3.34Å; M464-S468 PolarHBondContact O-N 2.77Å; M464-S468 PolarHBondContact O-OG 3.35Å; M464-F482 HydrophobicContact CG-CZ 4.04Å; M464-F482 HydrophobicContact SD-CE2 4.41Å; M464-F482 HydrophobicContact SD-CZ 4.18Å; M464-L501 HydrophobicContact CB-CD2 4.01Å; M464-L501 HydrophobicContact CG-CD1 3.87Å; M464-L501 HydrophobicContact CG-CD2 3.62Å; M464-L501 HydrophobicContact CG-CG 4.3Å; M464-Y505 HydrophobicContact CB-CD2 3.89Å; M464-Y505 HydrophobicContact CB-CE1 4.13Å; M464-Y505 HydrophobicContact CB-CE2 3.45Å; M464-Y505 VanDerWaalsContact CB-CE2 3.45Å; M464-Y505 HydrophobicContact CB-CG 4.42Å; M464-Y505 HydrophobicContact CE-CD2 4.26Å; M464-Y505 HydrophobicContact CE-CG 4.25Å; M464-Y505 HydrophobicContact CG-CD2 4.48Å; M464-Y505 HydrophobicContact CG-CE2 4.32Å; M464-L509 HydrophobicContact CE-CD2 4.09Å; M464-L509 HydrophobicContact CE-CG 4.13Å; M464-V510 HydrophobicContact CE-CG2 4.02Å; M464-V514 HydrophobicContact SD-CG2 4.13Å
465D91.5Very high88.2Confident58 Ų5836.7 Ų36.731%0.3122%0.217SC..Hα-helixtrans-53.4-50.5170.4-75.7-18.3000110.6L461 K462 L467 S468 V469 Y505L461-D465 PolarHBondContact O-N 2.93Å; K462-D465 HydrophobicContact CD-CB 4.49Å; K462-D465 IonicContact NZ-OD2 2.67Å; K462-D465 PolarHBondContact O-N 2.8Å; D465-L467 PolarHBondContact O-N 3.03Å; D465-S468 PolarHBondContact O-N 3.32Å; D465-S468 PolarHBondContact O-OG 3.44Å; D465-V469 WeakPolarHBondContact O-CG2 3.49Å; D465-V469 PolarHBondContact O-N 2.88Å; D465-Y505 PolarHBondContact OD1-OH 3.31Å
466L90.5Very high87.7Confident4 Ų444.9 Ų44.92%0.02125%0.248CC..Hα-helixtrans-64.3-41.1-178.6-68.5168.9000112.8F430 N433 D434 V437 K462 L463 M464 S468 G470 P472 S475F430-L466 HydrophobicContact CD2-CD2 3.61Å; F430-L466 HydrophobicContact CE1-CD2 4.33Å; F430-L466 HydrophobicContact CE2-CB 4.48Å; F430-L466 HydrophobicContact CE2-CD2 3.4Å; F430-L466 HydrophobicContact CG-CD2 4.18Å; F430-L466 HydrophobicContact CZ-CD2 3.78Å; N433-L466 HydrophobicContact CB-CD1 4.45Å; N433-L466 HydrophobicContact CB-CD2 4.07Å; D434-L466 HydrophobicContact CB-CD1 4.34Å; D434-L466 HydrophobicContact CB-CD2 4.46Å; V437-L466 HydrophobicContact CB-CD1 4.29Å; V437-L466 HydrophobicContact CG2-CD1 3.78Å; K462-L466 VanDerWaalsContact O-CG 3.27Å; K462-L466 WeakPolarHBondContact O-CG 3.25Å; K462-L466 PolarHBondContact O-N 2.78Å; K462-L466 VanDerWaalsContact O-N 3.12Å; L463-L466 PolarHBondContact O-N 2.99Å; M464-L466 VanDerWaalsContact C-N 3.31Å; M464-L466 PolarHBondContact O-N 3.27Å; L466-S468 VanDerWaalsContact C-N 3.26Å; L466-S468 PolarHBondContact O-N 3.09Å; L466-G470 PolarHBondContact O-N 3.21Å; L466-P472 HydrophobicContact CB-CB 4.38Å; L466-S475 WeakPolarHBondContact CD1-OG 3.41Å
467L88.1Confident87.3Confident25 Ų2551.4 Ų51.413%0.13128%0.277CS..Hα-helixtrans-67.5-26.3176.3-69.5168.5000112.8L463 M464 D465 P472 L479 N513L463-L467 HydrophobicContact CD1-CD1 3.96Å; L463-L467 HydrophobicContact CD1-CG 4.27Å; L463-L467 HydrophobicContact CG-CD1 4.06Å; L463-L467 VanDerWaalsContact O-CG 3.27Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.48Å; L463-L467 VanDerWaalsContact O-N 3.07Å; M464-L467 PolarHBondContact O-N 2.91Å; M464-L467 HydrophobicContact SD-CD1 3.95Å; D465-L467 PolarHBondContact O-N 3.03Å; L467-P472 HydrophobicContact CD2-CG 4.13Å; L467-L479 HydrophobicContact CD1-CD2 3.62Å; L467-N513 HydrophobicContact CD1-CB 4.33Å
468S86.4Confident87.1Confident56 Ų5650.2 Ų50.239%0.39227%0.27SS..Hα-helixtrans-83.3-30.4-178.773.20000114M464 D465 L466M464-S468 WeakPolarHBondContact O-CB 3.34Å; M464-S468 PolarHBondContact O-N 2.77Å; M464-S468 PolarHBondContact O-OG 3.35Å; D465-S468 PolarHBondContact O-N 3.32Å; D465-S468 PolarHBondContact O-OG 3.44Å; L466-S468 VanDerWaalsContact C-N 3.26Å; L466-S468 PolarHBondContact O-N 3.09Å
469V81.3Confident86.8Confident114 Ų11449.2 Ų49.269%0.69126%0.262SS*.Hα-helixtrans-96.7-26.7-170.8176.30000113.1F430 D465F430-V469 HydrophobicContact CE2-CB 4.3Å; F430-V469 HydrophobicContact CE2-CG1 4.4Å; D465-V469 WeakPolarHBondContact O-CG2 3.49Å; D465-V469 PolarHBondContact O-N 2.88Å
470G68.4Low86.5Confident38 Ų3854 Ų5439%0.39229%0.288SS..SBendtrans-162.4-166.1-171.500000115.6L466 P472L466-G470 PolarHBondContact O-N 3.21Å; G470-P472 WeakPolarHBondContact O-CD 3.44Å
471S73.6Confident86.4Confident113 Ų11354.2 Ų54.279%0.7929%0.289SS*.  trans-98.179.5172.7560000109.7
472P80.6Confident86.3Confident11 Ų1152.7 Ų52.77%0.07128%0.281CS..  trans-62.1139177.926.6-34.2000110.2F430 D434 L466 L467 G470F430-P472 HydrophobicContact CZ-CB 4.48Å; D434-P472 WeakPolarHBondContact OD1-CB 3.28Å; L466-P472 HydrophobicContact CB-CB 4.38Å; L467-P472 HydrophobicContact CD2-CG 4.13Å; G470-P472 WeakPolarHBondContact O-CD 3.44Å
473Q85.5Confident86.1Confident118 Ų11850.1 Ų50.155%0.55127%0.271SS*.SBendtrans-75.6-46-179.3-179.3176-1000110.5D434D434-Q473 PolarHBondContact OD2-N 2.75Å
474Y87Confident85.9Confident38 Ų3851.7 Ų51.715%0.14928%0.279CS..SBendtrans-101.8-40.2-171.9-54.5-73.4000112.8E390 L393 D434 V435 R476 Q477 C478E390-Y474 HydrophobicContact CG-CE2 4.22Å; E390-Y474 WeakPolarHBondContact CG-OH 3.38Å; E390-Y474 PolarHBondContact OE1-OH 3.03Å; L393-Y474 HydrophobicContact CD2-CD1 3.56Å; L393-Y474 HydrophobicContact CD2-CD2 4.31Å; L393-Y474 HydrophobicContact CD2-CE1 3.87Å; L393-Y474 HydrophobicContact CD2-CG 3.8Å; D434-Y474 PolarHBondContact OD1-N 3.01Å; D434-Y474 PolarHBondContact OD2-N 3.11Å; V435-Y474 HydrophobicContact CG2-CD2 3.81Å; V435-Y474 HydrophobicContact CG2-CE2 3.7Å; Y474-R476 VanDerWaalsContact C-N 3.26Å; Y474-R476 PolarHBondContact O-N 3.08Å; Y474-Q477 WeakPolarHBondContact O-CB 3.3Å; Y474-Q477 PolarHBondContact O-N 2.8Å; Y474-C478 PolarHBondContact O-SG 2.95Å
475S83.7Confident85.9Confident0 Ų052 Ų520%028%0.281CS..G310 helixtrans-64.1-27.4-173.9-64.20000113.7D434 L463 L466 Q477 C478D434-S475 PolarHBondContact O-OG 2.66Å; D434-S475 WeakPolarHBondContact OD1-CA 3.48Å; D434-S475 WeakPolarHBondContact OD1-CB 3.44Å; D434-S475 PolarHBondContact OD1-N 2.79Å; D434-S475 PolarHBondContact OD1-OG 3.19Å; L463-S475 VanDerWaalsContact CD1-O 3.31Å; L463-S475 WeakPolarHBondContact CD1-O 3.4Å; L466-S475 WeakPolarHBondContact CD1-OG 3.41Å; S475-Q477 PolarHBondContact O-N 2.88Å; S475-C478 WeakPolarHBondContact O-CA 3.31Å; S475-C478 VanDerWaalsContact O-CB 3.29Å; S475-C478 WeakPolarHBondContact O-CB 3.48Å; S475-C478 PolarHBondContact O-N 2.94Å
476R82.7Confident85.7Confident180 Ų18049.2 Ų49.268%0.67927%0.266SS*.G310 helixtrans-62.8-26.4175.6-166.1171.7-175168.31.7112.6Y474 C478Y474-R476 VanDerWaalsContact C-N 3.26Å; Y474-R476 PolarHBondContact O-N 3.08Å; R476-C478 VanDerWaalsContact C-N 3.29Å
477Q84.9Confident85.5Confident144 Ų14456.7 Ų56.767%0.67330%0.299SS*.G310 helixtrans-83.7-8.3175.1-54.51807.300112.3Y474 S475Y474-Q477 WeakPolarHBondContact O-CB 3.3Å; Y474-Q477 PolarHBondContact O-N 2.8Å; S475-Q477 PolarHBondContact O-N 2.88Å
478C88.9Confident85.5Confident7 Ų760.6 Ų60.65%0.04732%0.315CS..G310 helixtrans-93.16.2-175.4-62.10000113.8V437 V441 L463 Y474 S475 R476 N480 W481V437-C478 HydrophobicContact CG1-CB 4.35Å; V441-C478 HydrophobicContact CB-CB 4.35Å; V441-C478 HydrophobicContact CG1-CB 4.18Å; V441-C478 HydrophobicContact CG2-CB 4.18Å; L463-C478 HydrophobicContact CD1-CB 4.36Å; Y474-C478 PolarHBondContact O-SG 2.95Å; S475-C478 WeakPolarHBondContact O-CA 3.31Å; S475-C478 VanDerWaalsContact O-CB 3.29Å; S475-C478 WeakPolarHBondContact O-CB 3.48Å; S475-C478 PolarHBondContact O-N 2.94Å; R476-C478 VanDerWaalsContact C-N 3.29Å; C478-N480 PolarHBondContact O-N 3.4Å; C478-N480 VanDerWaalsContact O-N 3.12Å; C478-W481 WeakPolarHBondContact O-CB 3.19Å; C478-W481 PolarHBondContact O-N 3.31Å
479L88Confident85.6Confident33 Ų3359.8 Ų59.817%0.17331%0.309CS..THydrogen-bonded Turntrans-58.3-27.5-178.7-66-179.4000113.9L467 W481 F482 N513 P517L467-L479 HydrophobicContact CD1-CD2 3.62Å; L479-W481 PolarHBondContact O-N 3.38Å; L479-F482 HydrophobicContact CD2-CE2 4.43Å; L479-F482 PolarHBondContact O-N 3.49Å; L479-F482 VanDerWaalsContact O-N 3.11Å; L479-N513 HydrophobicContact CD1-CB 4.42Å; L479-N513 HydrophobicContact CD2-CB 3.84Å; L479-P517 HydrophobicContact CB-CG 3.93Å; L479-P517 VanDerWaalsContact O-CB 3.26Å; L479-P517 WeakPolarHBondContact O-CB 3.22Å; L479-P517 WeakPolarHBondContact O-CG 3.41Å
480N88Confident85.9Confident103 Ų10355.6 Ų55.655%0.55128%0.281SS*.Hα-helixtrans-58.7-16.6173.4-69.4-20.5000113.2F445 C478 F482 G483 L484F445-N480 HydrophobicContact CE2-CB 4.25Å; F445-N480 HydrophobicContact CZ-CB 3.74Å; C478-N480 PolarHBondContact O-N 3.4Å; C478-N480 VanDerWaalsContact O-N 3.12Å; N480-F482 VanDerWaalsContact C-N 3.28Å; N480-F482 PolarHBondContact O-N 3.35Å; N480-G483 WeakPolarHBondContact O-CA 3.42Å; N480-G483 PolarHBondContact O-N 2.96Å; N480-G483 VanDerWaalsContact O-N 3.07Å; N480-L484 PolarHBondContact O-N 3.17Å
481W93.4Very high87Confident6 Ų657.4 Ų57.42%0.02329%0.285CS..Hα-helixtrans-47.7-47.8168.4169.4-108.2000112.6V441 A444 A456 I459 S460 L463 C478 L479 G483 L484 V485V441-W481 HydrophobicContact CG1-CB 4.22Å; V441-W481 HydrophobicContact CG2-CB 3.99Å; V441-W481 HydrophobicContact CG2-CD2 4.1Å; V441-W481 HydrophobicContact CG2-CE3 3.93Å; V441-W481 HydrophobicContact CG2-CG 4.12Å; A444-W481 HydrophobicContact CB-CE3 4.43Å; A444-W481 HydrophobicContact CB-CZ3 3.68Å; A456-W481 HydrophobicContact CB-CH2 4.25Å; A456-W481 HydrophobicContact CB-CZ2 3.95Å; I459-W481 HydrophobicContact CB-CH2 4.34Å; I459-W481 HydrophobicContact CB-CZ2 3.86Å; I459-W481 HydrophobicContact CD1-CH2 3.82Å; I459-W481 HydrophobicContact CD1-CZ2 4.21Å; I459-W481 HydrophobicContact CD1-CZ3 4.19Å; I459-W481 HydrophobicContact CG2-CD2 3.81Å; I459-W481 HydrophobicContact CG2-CE3 4.28Å; I459-W481 HydrophobicContact CG2-CG 4.23Å; I459-W481 HydrophobicContact CG2-CH2 4.39Å; I459-W481 HydrophobicContact CG2-CZ2 3.96Å; S460-W481 PolarHBondContact OG-NE1 3.4Å; L463-W481 HydrophobicContact CD2-CB 4.19Å; L463-W481 HydrophobicContact CD2-CG 4.39Å; C478-W481 WeakPolarHBondContact O-CB 3.19Å; C478-W481 PolarHBondContact O-N 3.31Å; L479-W481 PolarHBondContact O-N 3.38Å; W481-G483 PolarHBondContact O-N 3.39Å; W481-L484 HydrophobicContact CE3-CD2 4.26Å; W481-L484 HydrophobicContact CZ3-CD2 4.21Å; W481-L484 WeakPolarHBondContact O-CB 3.03Å; W481-L484 PolarHBondContact O-N 3.45Å; W481-V485 HydrophobicContact CD2-CG2 3.98Å; W481-V485 VanDerWaalsContact CE2-CG2 3.42Å; W481-V485 HydrophobicContact CE3-CG2 4.41Å; W481-V485 HydrophobicContact CH2-CG2 3.86Å; W481-V485 HydrophobicContact CZ2-CG2 3.32Å; W481-V485 HydrophobicContact CZ3-CG2 4.36Å; W481-V485 WeakPolarHBondContact O-CG2 2.96Å; W481-V485 PolarHBondContact O-N 3.18Å
482F92Very high87.8Confident0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-63.9-33.3-179.6-64.2-64.6000112.2L463 M464 L479 N480 A486 L493 L501 V514 P517L463-F482 HydrophobicContact CD2-CD2 4.34Å; L463-F482 HydrophobicContact CD2-CE2 3.59Å; L463-F482 HydrophobicContact CD2-CZ 3.87Å; L463-F482 HydrophobicContact CG-CE2 4.29Å; L463-F482 HydrophobicContact CG-CZ 4.39Å; M464-F482 HydrophobicContact CG-CZ 4.04Å; M464-F482 HydrophobicContact SD-CE2 4.41Å; M464-F482 HydrophobicContact SD-CZ 4.18Å; L479-F482 HydrophobicContact CD2-CE2 4.43Å; L479-F482 PolarHBondContact O-N 3.49Å; L479-F482 VanDerWaalsContact O-N 3.11Å; N480-F482 VanDerWaalsContact C-N 3.28Å; N480-F482 PolarHBondContact O-N 3.35Å; F482-A486 WeakPolarHBondContact O-CB 3.5Å; F482-A486 PolarHBondContact O-N 3.48Å; F482-L493 HydrophobicContact CD1-CD1 4.34Å; F482-L501 HydrophobicContact CE1-CD1 3.79Å; F482-L501 HydrophobicContact CZ-CD1 4.07Å; F482-V514 HydrophobicContact CB-CG1 4.12Å; F482-V514 HydrophobicContact CD1-CG1 3.88Å; F482-V514 HydrophobicContact CD1-CG2 4.35Å; F482-V514 HydrophobicContact CD2-CB 4.26Å; F482-V514 HydrophobicContact CD2-CG1 4.26Å; F482-V514 HydrophobicContact CD2-CG2 3.97Å; F482-V514 HydrophobicContact CE1-CG1 4.37Å; F482-V514 HydrophobicContact CE1-CG2 4.13Å; F482-V514 HydrophobicContact CE2-CG2 3.72Å; F482-V514 HydrophobicContact CG-CB 4.33Å; F482-V514 HydrophobicContact CG-CG1 3.83Å; F482-V514 HydrophobicContact CG-CG2 4.28Å; F482-V514 HydrophobicContact CZ-CG2 3.81Å; F482-P517 HydrophobicContact CB-CB 4.41Å
483G87.9Confident88.3Confident5 Ų552.4 Ų52.45%0.05225%0.249CC..Hα-helixtrans-65.8-42.1171.700000112.8N480 W481 V485 A486 K487 P517 A521N480-G483 WeakPolarHBondContact O-CA 3.42Å; N480-G483 PolarHBondContact O-N 2.96Å; N480-G483 VanDerWaalsContact O-N 3.07Å; W481-G483 PolarHBondContact O-N 3.39Å; G483-V485 PolarHBondContact O-N 3.41Å; G483-A486 PolarHBondContact O-N 3.09Å; G483-K487 WeakPolarHBondContact O-CB 3.49Å; G483-K487 PolarHBondContact O-N 3.43Å; G483-P517 VanDerWaalsContact CA-O 3.23Å; G483-P517 WeakPolarHBondContact CA-O 3.37Å; G483-A521 VanDerWaalsContact C-CB 3.44Å; G483-A521 WeakPolarHBondContact O-CB 3.37Å
484L89.2Confident88.5Confident32 Ų3250.3 Ų50.317%0.16824%0.239CC..Hα-helixtrans-61.5-43.7175.5-178.665.1000111.7A444 F445 N480 W481 K487 K488A444-L484 HydrophobicContact CB-CD2 4.03Å; F445-L484 HydrophobicContact CD1-CD1 4.31Å; F445-L484 HydrophobicContact CD1-CD2 4.17Å; F445-L484 HydrophobicContact CD2-CD2 4.33Å; F445-L484 HydrophobicContact CE1-CB 4.05Å; F445-L484 HydrophobicContact CE1-CD1 4.29Å; F445-L484 HydrophobicContact CE1-CD2 4.29Å; F445-L484 HydrophobicContact CE1-CG 4.45Å; F445-L484 HydrophobicContact CE2-CD2 4.43Å; F445-L484 HydrophobicContact CG-CD2 4.17Å; F445-L484 HydrophobicContact CZ-CB 4.01Å; F445-L484 HydrophobicContact CZ-CD2 4.4Å; N480-L484 PolarHBondContact O-N 3.17Å; W481-L484 HydrophobicContact CE3-CD2 4.26Å; W481-L484 HydrophobicContact CZ3-CD2 4.21Å; W481-L484 WeakPolarHBondContact O-CB 3.03Å; W481-L484 PolarHBondContact O-N 3.45Å; L484-K487 PolarHBondContact O-N 3.45Å; L484-K488 WeakPolarHBondContact O-CB 3.4Å; L484-K488 PolarHBondContact O-N 3.2Å
485V92.2Very high88.7Confident7 Ų753.6 Ų53.64%0.04226%0.259CS..Hα-helixtrans-64.9-45.1176.6-1800000110.9W481 G483 K487 K488 S489 L492 L493 I497W481-V485 HydrophobicContact CD2-CG2 3.98Å; W481-V485 VanDerWaalsContact CE2-CG2 3.42Å; W481-V485 HydrophobicContact CE3-CG2 4.41Å; W481-V485 HydrophobicContact CH2-CG2 3.86Å; W481-V485 HydrophobicContact CZ2-CG2 3.32Å; W481-V485 HydrophobicContact CZ3-CG2 4.36Å; W481-V485 WeakPolarHBondContact O-CG2 2.96Å; W481-V485 PolarHBondContact O-N 3.18Å; G483-V485 PolarHBondContact O-N 3.41Å; V485-K487 VanDerWaalsContact C-N 3.33Å; V485-K487 PolarHBondContact O-N 3.4Å; V485-K488 PolarHBondContact O-N 3.44Å; V485-S489 CarbonylContact O-C 3.5Å; V485-S489 PolarHBondContact O-N 3.04Å; V485-L492 HydrophobicContact CG1-CD2 4.41Å; V485-L493 HydrophobicContact CG1-CB 4.27Å; V485-L493 HydrophobicContact CG1-CD1 4.27Å; V485-I497 HydrophobicContact CG1-CD1 3.73Å
486A88.3Confident89.1Confident0 Ų056.8 Ų56.80%028%0.279CS..Hα-helixtrans-55.9-4817600000111.5F482 G483 K488 W490 L493 M518F482-A486 WeakPolarHBondContact O-CB 3.5Å; F482-A486 PolarHBondContact O-N 3.48Å; G483-A486 PolarHBondContact O-N 3.09Å; A486-K488 VanDerWaalsContact C-N 3.34Å; A486-K488 PolarHBondContact O-N 2.9Å; A486-W490 HydrophobicContact CB-CE3 4.47Å; A486-W490 PolarHBondContact O-N 2.92Å; A486-L493 HydrophobicContact CB-CD2 3.51Å; A486-M518 HydrophobicContact CB-CG 4.04Å
487K86.1Confident89.6Confident161 Ų16148.3 Ų48.370%0.725%0.247SC*.Hα-helixtrans-65.1-34.7180-175.6178.1179.5-1800112.9G483 L484 V485G483-K487 WeakPolarHBondContact O-CB 3.49Å; G483-K487 PolarHBondContact O-N 3.43Å; L484-K487 PolarHBondContact O-N 3.45Å; V485-K487 VanDerWaalsContact C-N 3.33Å; V485-K487 PolarHBondContact O-N 3.4Å
488K86.5Confident89.9Confident107 Ų10743.7 Ų43.747%0.46522%0.224SC..Hα-helixtrans-80.1-42.1-179-172.8179.4176.3-177.10112.2S448 F451 L484 V485 A486S448-K488 PolarHBondContact O-NZ 3.19Å; F451-K488 PolarHBondContact O-NZ 2.91Å; L484-K488 WeakPolarHBondContact O-CB 3.4Å; L484-K488 PolarHBondContact O-N 3.2Å; V485-K488 PolarHBondContact O-N 3.44Å; A486-K488 VanDerWaalsContact C-N 3.34Å; A486-K488 PolarHBondContact O-N 2.9Å
489S88.6Confident90.1Very high39 Ų3946.1 Ų46.127%0.27324%0.24SC..  trans-158.785-176.5178.10000111.4V485 P491 L492 L493V485-S489 CarbonylContact O-C 3.5Å; V485-S489 PolarHBondContact O-N 3.04Å; S489-P491 VanDerWaalsContact C-CD 3.46Å; S489-P491 VanDerWaalsContact C-N 3.34Å; S489-L492 WeakPolarHBondContact O-CB 3.4Å; S489-L492 PolarHBondContact O-N 3.46Å; S489-L492 VanDerWaalsContact O-N 3.1Å; S489-L492 WeakPolarHBondContact OG-CB 3.44Å; S489-L493 PolarHBondContact O-N 2.94Å
490W87.9Confident90.4Very high26 Ų2646.7 Ų46.710%0.09824%0.243CC..Hα-helixtrans-49.7-45.1172.9172.9-105.1000114.2A486 L492 L493 E494 M518 E524 P525A486-W490 HydrophobicContact CB-CE3 4.47Å; A486-W490 PolarHBondContact O-N 2.92Å; W490-L492 PolarHBondContact O-N 3.26Å; W490-L492 VanDerWaalsContact O-N 3.16Å; W490-L493 HydrophobicContact CZ3-CD2 4.29Å; W490-L493 PolarHBondContact O-N 2.94Å; W490-L493 VanDerWaalsContact O-N 3.08Å; W490-E494 HydrophobicContact CD2-CB 4.28Å; W490-E494 HydrophobicContact CH2-CB 4.28Å; W490-E494 HydrophobicContact CZ2-CB 3.73Å; W490-E494 HydrophobicContact CZ2-CG 3.84Å; W490-E494 VanDerWaalsContact NE1-CD 3.32Å; W490-E494 PolarHBondContact NE1-OE2 3.33Å; W490-E494 WeakPolarHBondContact O-CB 3.44Å; W490-E494 PolarHBondContact O-N 2.99Å; W490-M518 HydrophobicContact CH2-CE 4.34Å; W490-M518 HydrophobicContact CH2-SD 3.81Å; W490-M518 HydrophobicContact CZ3-CE 4.43Å; W490-M518 HydrophobicContact CZ3-CG 3.72Å; W490-M518 HydrophobicContact CZ3-SD 3.46Å; W490-M518 WeakPolarHBondContact CZ3-SD 3.38Å; W490-E524 HydrophobicContact CB-CB 4.42Å; W490-E524 WeakPolarHBondContact CB-OE2 3.41Å; W490-E524 HydrophobicContact CD2-CB 3.78Å; W490-E524 HydrophobicContact CE3-CB 4.39Å; W490-E524 HydrophobicContact CG-CB 3.75Å; W490-E524 HydrophobicContact CG-CG 4.27Å; W490-P525 HydrophobicContact CE3-CB 4.49Å; W490-P525 HydrophobicContact CH2-CB 3.46Å; W490-P525 VanDerWaalsContact CH2-CB 3.46Å; W490-P525 HydrophobicContact CH2-CG 4.3Å; W490-P525 HydrophobicContact CZ2-CB 4.3Å; W490-P525 HydrophobicContact CZ3-CB 3.57Å; W490-P525 HydrophobicContact CZ3-CG 3.94Å
491P91Very high90.7Very high75 Ų7541.9 Ų41.949%0.48722%0.217SC..Hα-helixtrans-59.7-30.8179.7-26.135.7000114.3S489 N495S489-P491 VanDerWaalsContact C-CD 3.46Å; S489-P491 VanDerWaalsContact C-N 3.34Å; P491-N495 VanDerWaalsContact O-CB 3.25Å; P491-N495 WeakPolarHBondContact O-CB 3.42Å; P491-N495 PolarHBondContact O-N 3.44Å; P491-N495 PolarHBondContact O-ND2 3.36Å
492L91.9Very high90.5Very high20 Ų2043.1 Ų43.111%0.10523%0.227CC..Hα-helixtrans-71.3-43.5177.1177.668.7000110.7N453 A456 V485 S489 W490 T496 I497N453-L492 HydrophobicContact CB-CD1 4.27Å; N453-L492 HydrophobicContact CB-CD2 4.13Å; A456-L492 HydrophobicContact CB-CD2 4.09Å; V485-L492 HydrophobicContact CG1-CD2 4.41Å; S489-L492 WeakPolarHBondContact O-CB 3.4Å; S489-L492 PolarHBondContact O-N 3.46Å; S489-L492 VanDerWaalsContact O-N 3.1Å; S489-L492 WeakPolarHBondContact OG-CB 3.44Å; W490-L492 PolarHBondContact O-N 3.26Å; W490-L492 VanDerWaalsContact O-N 3.16Å; L492-T496 HydrophobicContact CD1-CG2 4.47Å; L492-T496 WeakPolarHBondContact O-CA 3.37Å; L492-T496 VanDerWaalsContact O-CB 3.27Å; L492-T496 WeakPolarHBondContact O-CB 3.45Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 VanDerWaalsContact O-N 3.17Å; L492-I497 HydrophobicContact CD2-CD1 4.15Å; L492-I497 HydrophobicContact CG-CD1 3.94Å; L492-I497 HydrophobicContact CG-CG1 4.43Å; L492-I497 PolarHBondContact O-N 3.02Å
493L90.3Very high90.6Very high0 Ų050.8 Ų50.80%026%0.262CS..Iπ-helixtrans-66.9-49.3178-170.465.2000110.9F482 V485 A486 S489 W490 I497 Y498 M518F482-L493 HydrophobicContact CD1-CD1 4.34Å; V485-L493 HydrophobicContact CG1-CB 4.27Å; V485-L493 HydrophobicContact CG1-CD1 4.27Å; A486-L493 HydrophobicContact CB-CD2 3.51Å; S489-L493 PolarHBondContact O-N 2.94Å; W490-L493 HydrophobicContact CZ3-CD2 4.29Å; W490-L493 PolarHBondContact O-N 2.94Å; W490-L493 VanDerWaalsContact O-N 3.08Å; L493-I497 HydrophobicContact CD1-CB 3.98Å; L493-I497 HydrophobicContact CD1-CD1 4.38Å; L493-I497 HydrophobicContact CD1-CG2 3.87Å; L493-Y498 WeakPolarHBondContact O-CB 3.45Å; L493-Y498 PolarHBondContact O-N 3.2Å; L493-M518 HydrophobicContact CD2-CB 4.17Å; L493-M518 HydrophobicContact CD2-CG 3.57Å; L493-M518 HydrophobicContact CD2-SD 3.6Å; L493-M518 HydrophobicContact CG-SD 4.29Å
494E89.1Confident90.7Very high73 Ų7356.3 Ų56.334%0.34129%0.285SS..Iπ-helixtrans-67-47.1-176.1-177.3177.6-143.400113W490 P499W490-E494 HydrophobicContact CD2-CB 4.28Å; W490-E494 HydrophobicContact CH2-CB 4.28Å; W490-E494 HydrophobicContact CZ2-CB 3.73Å; W490-E494 HydrophobicContact CZ2-CG 3.84Å; W490-E494 VanDerWaalsContact NE1-CD 3.32Å; W490-E494 PolarHBondContact NE1-OE2 3.33Å; W490-E494 WeakPolarHBondContact O-CB 3.44Å; W490-E494 PolarHBondContact O-N 2.99Å; E494-P499 WeakPolarHBondContact O-CD 3.45Å; E494-P499 VanDerWaalsContact O-CG 3.26Å; E494-P499 WeakPolarHBondContact O-CG 3.24Å
495N91.1Very high90.8Very high107 Ų10756.2 Ų56.257%0.57228%0.283SS*.Iπ-helixtrans-96.4-13.1-170.1-58.4-64.9000113.8P491P491-N495 VanDerWaalsContact O-CB 3.25Å; P491-N495 WeakPolarHBondContact O-CB 3.42Å; P491-N495 PolarHBondContact O-N 3.44Å; P491-N495 PolarHBondContact O-ND2 3.36Å
496T93.2Very high90.5Very high68 Ų6860.7 Ų60.742%0.41731%0.306SS..Iπ-helixtrans-126.9-62.9-174.3-500000112.2L492 L500L492-T496 HydrophobicContact CD1-CG2 4.47Å; L492-T496 WeakPolarHBondContact O-CA 3.37Å; L492-T496 VanDerWaalsContact O-CB 3.27Å; L492-T496 WeakPolarHBondContact O-CB 3.45Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 VanDerWaalsContact O-N 3.17Å; T496-L500 WeakPolarHBondContact O-CB 3.45Å; T496-L500 PolarHBondContact O-N 3.12Å
497I93.6Very high90.3Very high2 Ų263.2 Ų63.21%0.0132%0.322CS..Iπ-helixtrans-69.9-53.2-172-65166.1000110.8V457 V485 L492 L493 L500 L501V457-I497 HydrophobicContact CG2-CG1 4.05Å; V485-I497 HydrophobicContact CG1-CD1 3.73Å; L492-I497 HydrophobicContact CD2-CD1 4.15Å; L492-I497 HydrophobicContact CG-CD1 3.94Å; L492-I497 HydrophobicContact CG-CG1 4.43Å; L492-I497 PolarHBondContact O-N 3.02Å; L493-I497 HydrophobicContact CD1-CB 3.98Å; L493-I497 HydrophobicContact CD1-CD1 4.38Å; L493-I497 HydrophobicContact CD1-CG2 3.87Å; I497-L500 WeakPolarHBondContact O-CB 3.4Å; I497-L500 PolarHBondContact O-N 3.37Å; I497-L501 HydrophobicContact CG2-CD1 3.93Å; I497-L501 HydrophobicContact CG2-CG 4.14Å; I497-L501 VanDerWaalsContact O-CG 3.29Å; I497-L501 WeakPolarHBondContact O-CG 3.48Å; I497-L501 PolarHBondContact O-N 3.15Å
498Y91.1Very high89.8Confident46 Ų4663 Ų6318%0.1832%0.316CS..Hα-helixtrans-60.6-46.3-176.1-175-91.3000113.1L493 L500 L501 C502 V510 V514 V515 L532L493-Y498 WeakPolarHBondContact O-CB 3.45Å; L493-Y498 PolarHBondContact O-N 3.2Å; Y498-L500 VanDerWaalsContact C-N 3.34Å; Y498-L500 PolarHBondContact O-N 2.92Å; Y498-L501 PolarHBondContact O-N 3.32Å; Y498-C502 VanDerWaalsContact CE1-SG 3.59Å; Y498-C502 PolarHBondContact O-N 3.2Å; Y498-C502 PolarHBondContact O-SG 3.18Å; Y498-V510 HydrophobicContact CD2-CG1 4.32Å; Y498-V510 HydrophobicContact CE2-CG1 4.03Å; Y498-V514 HydrophobicContact CD2-CG1 4.08Å; Y498-V515 HydrophobicContact CE2-CG2 3.92Å; Y498-L532 WeakPolarHBondContact OH-CD1 3.42Å
499P92.6Very high89.7Confident59 Ų5960.1 Ų60.138%0.38331%0.306SS..Hα-helixtrans-60.2-42.6174.2-24.735.9000112.7E494 L501 C502 E503E494-P499 WeakPolarHBondContact O-CD 3.45Å; E494-P499 VanDerWaalsContact O-CG 3.26Å; E494-P499 WeakPolarHBondContact O-CG 3.24Å; P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 PolarHBondContact O-N 3.47Å; P499-C502 PolarHBondContact O-N 2.93Å; P499-E503 PolarHBondContact O-N 3.42Å
500L94.3Very high89.6Confident45 Ų4558.2 Ų58.224%0.23629%0.293CS..Hα-helixtrans-63.4-38.5178.6-177.167.3000112.3V457 L461 T496 I497 Y498 E503 K504V457-L500 HydrophobicContact CG1-CD2 4.17Å; L461-L500 HydrophobicContact CD1-CD2 4.12Å; L461-L500 HydrophobicContact CD2-CD2 3.95Å; L461-L500 HydrophobicContact CD2-CG 4.2Å; L461-L500 HydrophobicContact CG-CD2 4.26Å; T496-L500 WeakPolarHBondContact O-CB 3.45Å; T496-L500 PolarHBondContact O-N 3.12Å; I497-L500 WeakPolarHBondContact O-CB 3.4Å; I497-L500 PolarHBondContact O-N 3.37Å; Y498-L500 VanDerWaalsContact C-N 3.34Å; Y498-L500 PolarHBondContact O-N 2.92Å; L500-E503 PolarHBondContact O-N 3.28Å; L500-K504 PolarHBondContact O-N 2.78Å; L500-K504 VanDerWaalsContact O-N 3.17Å
501L93.7Very high89.2Confident1 Ų157.7 Ų57.71%0.00529%0.291CS..Hα-helixtrans-67.2-44.8175.2-66.4-175.2000111.4L461 M464 F482 I497 Y498 P499 E503 K504 Y505 V510 V514L461-L501 HydrophobicContact CD2-CD2 4.07Å; M464-L501 HydrophobicContact CB-CD2 4.01Å; M464-L501 HydrophobicContact CG-CD1 3.87Å; M464-L501 HydrophobicContact CG-CD2 3.62Å; M464-L501 HydrophobicContact CG-CG 4.3Å; F482-L501 HydrophobicContact CE1-CD1 3.79Å; F482-L501 HydrophobicContact CZ-CD1 4.07Å; I497-L501 HydrophobicContact CG2-CD1 3.93Å; I497-L501 HydrophobicContact CG2-CG 4.14Å; I497-L501 VanDerWaalsContact O-CG 3.29Å; I497-L501 WeakPolarHBondContact O-CG 3.48Å; I497-L501 PolarHBondContact O-N 3.15Å; Y498-L501 PolarHBondContact O-N 3.32Å; P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 PolarHBondContact O-N 3.47Å; L501-E503 PolarHBondContact O-N 3.04Å; L501-K504 PolarHBondContact O-N 3.18Å; L501-Y505 HydrophobicContact CB-CD2 4.42Å; L501-Y505 HydrophobicContact CD2-CD2 4.05Å; L501-Y505 HydrophobicContact CD2-CE2 3.68Å; L501-Y505 WeakPolarHBondContact O-CD2 3.42Å; L501-Y505 PolarHBondContact O-N 3.33Å; L501-V510 HydrophobicContact CB-CG1 3.9Å; L501-V510 HydrophobicContact CB-CG2 4.06Å; L501-V514 HydrophobicContact CD1-CG2 3.84Å
502C90.2Very high88.6Confident33 Ų3358.4 Ų58.422%0.22329%0.291CS..Hα-helixtrans-63.7-25.9176.2-73.50000113.3Y498 P499Y498-C502 VanDerWaalsContact CE1-SG 3.59Å; Y498-C502 PolarHBondContact O-N 3.2Å; Y498-C502 PolarHBondContact O-SG 3.18Å; P499-C502 PolarHBondContact O-N 2.93Å
503E92.7Very high88.1Confident160 Ų16058.4 Ų58.475%0.74829%0.29SS*.Hα-helixtrans-76-39.4174.3-173.7-177172.100112.2P499 L500 L501P499-E503 PolarHBondContact O-N 3.42Å; L500-E503 PolarHBondContact O-N 3.28Å; L501-E503 PolarHBondContact O-N 3.04Å
504K91.9Very high88Confident122 Ų12258.4 Ų58.453%0.5329%0.29SS..Hα-helixtrans-89.4-28.6-172.9-75.1-174.2174.3-173.70115.2L461 L500 L501L461-K504 HydrophobicContact CD2-CD 3.78Å; L500-K504 PolarHBondContact O-N 2.78Å; L500-K504 VanDerWaalsContact O-N 3.17Å; L501-K504 PolarHBondContact O-N 3.18Å
505Y91.5Very high87.6Confident30 Ų3055 Ų5512%0.11828%0.275CS..SBendtrans-125.5166.1-172.4-50.5-80.8000111.6L461 M464 D465 L501 V507L461-Y505 HydrophobicContact CD2-CE2 4.43Å; L461-Y505 PolarHBondContact O-OH 3.25Å; M464-Y505 HydrophobicContact CB-CD2 3.89Å; M464-Y505 HydrophobicContact CB-CE1 4.13Å; M464-Y505 HydrophobicContact CB-CE2 3.45Å; M464-Y505 VanDerWaalsContact CB-CE2 3.45Å; M464-Y505 HydrophobicContact CB-CG 4.42Å; M464-Y505 HydrophobicContact CE-CD2 4.26Å; M464-Y505 HydrophobicContact CE-CG 4.25Å; M464-Y505 HydrophobicContact CG-CD2 4.48Å; M464-Y505 HydrophobicContact CG-CE2 4.32Å; D465-Y505 PolarHBondContact OD1-OH 3.31Å; L501-Y505 HydrophobicContact CB-CD2 4.42Å; L501-Y505 HydrophobicContact CD2-CD2 4.05Å; L501-Y505 HydrophobicContact CD2-CE2 3.68Å; L501-Y505 WeakPolarHBondContact O-CD2 3.42Å; L501-Y505 PolarHBondContact O-N 3.33Å; Y505-V507 PolarHBondContact O-N 3.15Å
506D85.9Confident86.9Confident100 Ų10050.9 Ų50.954%0.53525%0.254SS..  trans-57.3124172.8-172.1-42.1000109.8R508 L509 V510D506-R508 PolarHBondContact O-N 2.99Å; D506-R508 VanDerWaalsContact O-N 3.13Å; D506-R508 VanDerWaalsContact OD1-CB 3.25Å; D506-R508 WeakPolarHBondContact OD1-CB 3.49Å; D506-R508 PolarHBondContact OD1-N 2.85Å; D506-L509 HydrophobicContact CB-CB 4.16Å; D506-L509 WeakPolarHBondContact O-CA 3.43Å; D506-L509 VanDerWaalsContact O-CB 3.29Å; D506-L509 WeakPolarHBondContact O-CB 3.29Å; D506-L509 PolarHBondContact O-N 2.68Å; D506-V510 PolarHBondContact O-N 3.36Å
507V83.5Confident86.2Confident54 Ų5448.4 Ų48.433%0.32724%0.239SC..Hα-helixtrans-54.5-34.7-179.2-176.10000111.6Y505 L509 V510 E511Y505-V507 PolarHBondContact O-N 3.15Å; V507-L509 VanDerWaalsContact C-N 3.35Å; V507-V510 PolarHBondContact O-N 3.45Å; V507-E511 HydrophobicContact CG1-CG 4.23Å; V507-E511 WeakPolarHBondContact CG1-OE1 3.46Å; V507-E511 WeakPolarHBondContact O-CB 3.37Å; V507-E511 VanDerWaalsContact O-CG 3.25Å; V507-E511 WeakPolarHBondContact O-CG 3.24Å; V507-E511 PolarHBondContact O-N 2.94Å
508R75.9Confident85.8Confident155 Ų15548.7 Ų48.759%0.58524%0.24SC*.Hα-helixtrans-64.9-39.5175.7-62.1177.6175.6-175.7-1.8111.5D506 L512D506-R508 PolarHBondContact O-N 2.99Å; D506-R508 VanDerWaalsContact O-N 3.13Å; D506-R508 VanDerWaalsContact OD1-CB 3.25Å; D506-R508 WeakPolarHBondContact OD1-CB 3.49Å; D506-R508 PolarHBondContact OD1-N 2.85Å; R508-L512 VanDerWaalsContact O-CB 3.26Å; R508-L512 WeakPolarHBondContact O-CB 3.46Å; R508-L512 PolarHBondContact O-N 3.14Å
509L82.9Confident84.9Confident47 Ų4746.9 Ų46.925%0.24623%0.234CC..Hα-helixtrans-66.6-43.3177-176.672000110.9M464 D506 V507 N513M464-L509 HydrophobicContact CE-CD2 4.09Å; M464-L509 HydrophobicContact CE-CG 4.13Å; D506-L509 HydrophobicContact CB-CB 4.16Å; D506-L509 WeakPolarHBondContact O-CA 3.43Å; D506-L509 VanDerWaalsContact O-CB 3.29Å; D506-L509 WeakPolarHBondContact O-CB 3.29Å; D506-L509 PolarHBondContact O-N 2.68Å; V507-L509 VanDerWaalsContact C-N 3.35Å; L509-N513 PolarHBondContact O-N 2.69Å; L509-N513 PolarHBondContact O-ND2 3.38Å
510V87.2Confident83.9Confident0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-62.9-51.6176.8179.90000110.2M464 Y498 L501 D506 V507 L512 N513 V514M464-V510 HydrophobicContact CE-CG2 4.02Å; Y498-V510 HydrophobicContact CD2-CG1 4.32Å; Y498-V510 HydrophobicContact CE2-CG1 4.03Å; L501-V510 HydrophobicContact CB-CG1 3.9Å; L501-V510 HydrophobicContact CB-CG2 4.06Å; D506-V510 PolarHBondContact O-N 3.36Å; V507-V510 PolarHBondContact O-N 3.45Å; V510-L512 PolarHBondContact O-N 3.03Å; V510-N513 PolarHBondContact O-N 3.26Å; V510-V514 HydrophobicContact CG1-CB 4.29Å; V510-V514 HydrophobicContact CG1-CG2 3.89Å; V510-V514 WeakPolarHBondContact O-CB 3.29Å; V510-V514 VanDerWaalsContact O-CG2 3.3Å; V510-V514 WeakPolarHBondContact O-CG2 3.2Å; V510-V514 PolarHBondContact O-N 3.04Å
511E80.5Confident82.9Confident14 Ų1447.1 Ų47.17%0.06525%0.247CC..Hα-helixtrans-55.5-49.9178.9-77172.2-172.700111.1V507 N513 V515 P516 L532 R536 F552V507-E511 HydrophobicContact CG1-CG 4.23Å; V507-E511 WeakPolarHBondContact CG1-OE1 3.46Å; V507-E511 WeakPolarHBondContact O-CB 3.37Å; V507-E511 VanDerWaalsContact O-CG 3.25Å; V507-E511 WeakPolarHBondContact O-CG 3.24Å; V507-E511 PolarHBondContact O-N 2.94Å; E511-N513 VanDerWaalsContact C-N 3.29Å; E511-N513 PolarHBondContact O-N 2.77Å; E511-V515 WeakPolarHBondContact O-CB 3.42Å; E511-V515 PolarHBondContact O-N 3.15Å; E511-P516 WeakPolarHBondContact O-CD 3.23Å; E511-L532 HydrophobicContact CG-CD1 4.34Å; E511-L532 HydrophobicContact CG-CD2 4.12Å; E511-R536 IonicContact OE1-CZ 3.53Å; E511-R536 IonicContact OE1-NE 2.91Å; E511-R536 PolarHBondContact OE1-NE 3.33Å; E511-R536 IonicContact OE1-NH2 3.36Å; E511-R536 PolarHBondContact OE1-NH2 3.41Å; E511-R536 IonicContact OE2-CZ 3.59Å; E511-R536 VanDerWaalsContact OE2-CZ 3.25Å; E511-R536 IonicContact OE2-NE 2.63Å; E511-R536 PolarHBondContact OE2-NE 2.82Å; E511-R536 IonicContact OE2-NH2 2.69Å; E511-R536 PolarHBondContact OE2-NH2 3.36Å; E511-F552 HydrophobicContact CB-CE2 4.26Å; E511-F552 HydrophobicContact CB-CZ 4Å; E511-F552 WeakPolarHBondContact O-CE2 3.49Å
512L77.5Confident81.9Confident91 Ų9147.9 Ų47.948%0.47625%0.253SS..Hα-helixtrans-59.8-35.1-176.8-175.365.6000113.7R508 V510R508-L512 VanDerWaalsContact O-CB 3.26Å; R508-L512 WeakPolarHBondContact O-CB 3.46Å; R508-L512 PolarHBondContact O-N 3.14Å; V510-L512 PolarHBondContact O-N 3.03Å
513N81.9Confident80.8Confident19 Ų1952 Ų5210%0.10227%0.267CS..Hα-helixtrans-104.7-28.1-170.8-67.9-72.7000114.1L467 L479 L509 V510 E511 P517L467-N513 HydrophobicContact CD1-CB 4.33Å; L479-N513 HydrophobicContact CD1-CB 4.42Å; L479-N513 HydrophobicContact CD2-CB 3.84Å; L509-N513 PolarHBondContact O-N 2.69Å; L509-N513 PolarHBondContact O-ND2 3.38Å; V510-N513 PolarHBondContact O-N 3.26Å; E511-N513 VanDerWaalsContact C-N 3.29Å; E511-N513 PolarHBondContact O-N 2.77Å; N513-P517 WeakPolarHBondContact O-CD 3.27Å; N513-P517 WeakPolarHBondContact O-CG 3.35Å
514V87.2Confident80Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-96.6-41-174.4-178.20000111.8M464 F482 Y498 L501 V510 P517 M518M464-V514 HydrophobicContact SD-CG2 4.13Å; F482-V514 HydrophobicContact CB-CG1 4.12Å; F482-V514 HydrophobicContact CD1-CG1 3.88Å; F482-V514 HydrophobicContact CD1-CG2 4.35Å; F482-V514 HydrophobicContact CD2-CB 4.26Å; F482-V514 HydrophobicContact CD2-CG1 4.26Å; F482-V514 HydrophobicContact CD2-CG2 3.97Å; F482-V514 HydrophobicContact CE1-CG1 4.37Å; F482-V514 HydrophobicContact CE1-CG2 4.13Å; F482-V514 HydrophobicContact CE2-CG2 3.72Å; F482-V514 HydrophobicContact CG-CB 4.33Å; F482-V514 HydrophobicContact CG-CG1 3.83Å; F482-V514 HydrophobicContact CG-CG2 4.28Å; F482-V514 HydrophobicContact CZ-CG2 3.81Å; Y498-V514 HydrophobicContact CD2-CG1 4.08Å; L501-V514 HydrophobicContact CD1-CG2 3.84Å; V510-V514 HydrophobicContact CG1-CB 4.29Å; V510-V514 HydrophobicContact CG1-CG2 3.89Å; V510-V514 WeakPolarHBondContact O-CB 3.29Å; V510-V514 VanDerWaalsContact O-CG2 3.3Å; V510-V514 WeakPolarHBondContact O-CG2 3.2Å; V510-V514 PolarHBondContact O-N 3.04Å; V514-P517 WeakPolarHBondContact O-CD 3.29Å; V514-M518 WeakPolarHBondContact O-CB 3.05Å; V514-M518 PolarHBondContact O-N 2.84Å
515V81.3Confident79Confident2 Ų243.9 Ų43.91%0.01223%0.231CC..Hα-helixtrans-69.3-44.8-170.9175.50000113Y498 E511 M518 M519 V529 F552 I556Y498-V515 HydrophobicContact CE2-CG2 3.92Å; E511-V515 WeakPolarHBondContact O-CB 3.42Å; E511-V515 PolarHBondContact O-N 3.15Å; V515-M518 HydrophobicContact CB-CE 4.4Å; V515-M518 HydrophobicContact CG1-CE 4.19Å; V515-M518 HydrophobicContact CG2-CE 4.22Å; V515-M518 PolarHBondContact O-N 3.31Å; V515-M519 HydrophobicContact CG1-CG 4.14Å; V515-M519 WeakPolarHBondContact O-CB 3.18Å; V515-M519 WeakPolarHBondContact O-CG 3.2Å; V515-M519 PolarHBondContact O-N 2.89Å; V515-V529 HydrophobicContact CG1-CB 4.24Å; V515-V529 HydrophobicContact CG1-CG1 3.6Å; V515-V529 HydrophobicContact CG1-CG2 3.55Å; V515-F552 HydrophobicContact CB-CE2 3.99Å; V515-F552 HydrophobicContact CB-CZ 3.94Å; V515-F552 HydrophobicContact CG1-CE2 4.23Å; V515-F552 HydrophobicContact CG1-CZ 3.91Å; V515-F552 HydrophobicContact CG2-CZ 4.34Å; V515-I556 HydrophobicContact CG1-CD1 3.98Å; V515-I556 HydrophobicContact CG1-CG1 4.4Å
516P76.3Confident77.8Confident21 Ų2143.4 Ų43.414%0.13623%0.233CC..Hα-helixtrans-61.6-47.7-179.7-18.329.4000113.5E511 M518 M519 A520 F552 N555E511-P516 WeakPolarHBondContact O-CD 3.23Å; P516-M518 VanDerWaalsContact C-N 3.35Å; P516-M518 PolarHBondContact O-N 3.37Å; P516-M519 PolarHBondContact O-N 3.12Å; P516-A520 PolarHBondContact O-N 2.74Å; P516-A520 VanDerWaalsContact O-N 3.07Å; P516-F552 HydrophobicContact CG-CE2 4.31Å; P516-N555 HydrophobicContact CB-CB 4.46Å; P516-N555 HydrophobicContact CG-CB 4.44Å
517P79Confident76.9Confident15 Ų1547.2 Ų47.210%0.09724%0.24CC..Hα-helixtrans-63.9-36.5176.2-21.331.5000113.9L479 F482 G483 N513 V514 A520 A521L479-P517 HydrophobicContact CB-CG 3.93Å; L479-P517 VanDerWaalsContact O-CB 3.26Å; L479-P517 WeakPolarHBondContact O-CB 3.22Å; L479-P517 WeakPolarHBondContact O-CG 3.41Å; F482-P517 HydrophobicContact CB-CB 4.41Å; G483-P517 VanDerWaalsContact CA-O 3.23Å; G483-P517 WeakPolarHBondContact CA-O 3.37Å; N513-P517 WeakPolarHBondContact O-CD 3.27Å; N513-P517 WeakPolarHBondContact O-CG 3.35Å; V514-P517 WeakPolarHBondContact O-CD 3.29Å; P517-A520 PolarHBondContact O-N 3.32Å; P517-A521 PolarHBondContact O-N 3.33Å
518M83.8Confident76.3Confident8 Ų847.3 Ų47.34%0.03924%0.243CC..Hα-helixtrans-62-46.7176.3174.5-177.576.500111.5A486 W490 L493 V514 V515 P516 A521 S522 P525 V529A486-M518 HydrophobicContact CB-CG 4.04Å; W490-M518 HydrophobicContact CH2-CE 4.34Å; W490-M518 HydrophobicContact CH2-SD 3.81Å; W490-M518 HydrophobicContact CZ3-CE 4.43Å; W490-M518 HydrophobicContact CZ3-CG 3.72Å; W490-M518 HydrophobicContact CZ3-SD 3.46Å; W490-M518 WeakPolarHBondContact CZ3-SD 3.38Å; L493-M518 HydrophobicContact CD2-CB 4.17Å; L493-M518 HydrophobicContact CD2-CG 3.57Å; L493-M518 HydrophobicContact CD2-SD 3.6Å; L493-M518 HydrophobicContact CG-SD 4.29Å; V514-M518 WeakPolarHBondContact O-CB 3.05Å; V514-M518 PolarHBondContact O-N 2.84Å; V515-M518 HydrophobicContact CB-CE 4.4Å; V515-M518 HydrophobicContact CG1-CE 4.19Å; V515-M518 HydrophobicContact CG2-CE 4.22Å; V515-M518 PolarHBondContact O-N 3.31Å; P516-M518 VanDerWaalsContact C-N 3.35Å; P516-M518 PolarHBondContact O-N 3.37Å; M518-A521 PolarHBondContact O-N 2.99Å; M518-S522 PolarHBondContact O-N 2.92Å; M518-P525 HydrophobicContact CE-CB 3.75Å; M518-P525 HydrophobicContact CG-CB 4.04Å; M518-P525 HydrophobicContact CG-CG 4.06Å; M518-P525 HydrophobicContact SD-CB 4.24Å; M518-V529 HydrophobicContact CE-CG2 3.63Å
519M73.7Confident76Confident9 Ų940.2 Ų40.24%0.04422%0.216CC..Hα-helixtrans-63.1-40.7177.2-78.4-67.9-70.900112.8V515 P516 A521 P525 A526 V529 I556 A559 I560V515-M519 HydrophobicContact CG1-CG 4.14Å; V515-M519 WeakPolarHBondContact O-CB 3.18Å; V515-M519 WeakPolarHBondContact O-CG 3.2Å; V515-M519 PolarHBondContact O-N 2.89Å; P516-M519 PolarHBondContact O-N 3.12Å; M519-A521 PolarHBondContact O-N 3.12Å; M519-P525 HydrophobicContact SD-CB 3.73Å; M519-P525 HydrophobicContact SD-CG 3.87Å; M519-A526 HydrophobicContact CE-CB 4.19Å; M519-V529 HydrophobicContact CE-CB 4.32Å; M519-V529 HydrophobicContact CE-CG1 4.32Å; M519-V529 HydrophobicContact CG-CB 4.17Å; M519-V529 HydrophobicContact CG-CG1 4.01Å; M519-V529 HydrophobicContact CG-CG2 3.81Å; M519-V529 HydrophobicContact SD-CB 3.62Å; M519-V529 HydrophobicContact SD-CG1 3.99Å; M519-V529 HydrophobicContact SD-CG2 3.54Å; M519-V529 VanDerWaalsContact SD-CG2 3.54Å; M519-I556 HydrophobicContact CE-CG2 4.11Å; M519-A559 HydrophobicContact CB-CB 4.18Å; M519-I560 HydrophobicContact CE-CG1 3.9Å
520A70.8Confident75.2Confident70 Ų7038.8 Ų38.858%0.57921%0.209SC*.Hα-helixtrans-66-22.5-179.600000113.2P516 P517 A559P516-A520 PolarHBondContact O-N 2.74Å; P516-A520 VanDerWaalsContact O-N 3.07Å; P517-A520 PolarHBondContact O-N 3.32Å; A520-A559 HydrophobicContact CB-CB 3.99Å
521A74.2Confident74.3Confident39 Ų3943.2 Ų43.232%0.32223%0.232SC..Hα-helixtrans-108.1-23-17000000115.4G483 P517 M518 M519G483-A521 VanDerWaalsContact C-CB 3.44Å; G483-A521 WeakPolarHBondContact O-CB 3.37Å; P517-A521 PolarHBondContact O-N 3.33Å; M518-A521 PolarHBondContact O-N 2.99Å; M519-A521 PolarHBondContact O-N 3.12Å
522S71Confident73.9Confident17 Ų1744.4 Ų44.412%0.11924%0.239CC..  trans-134.4148.7176.2178.10000111.9M518 E524 P525M518-S522 PolarHBondContact O-N 2.92Å; S522-E524 PolarHBondContact OG-N 3.29Å; S522-E524 PolarHBondContact OG-OE2 3.44Å; S522-P525 VanDerWaalsContact O-CD 3.29Å; S522-P525 WeakPolarHBondContact O-CD 3.39Å; S522-P525 VanDerWaalsContact O-CG 3.23Å; S522-P525 WeakPolarHBondContact O-CG 3.25Å
523K68.8Low73.5Confident119 Ų11940.1 Ų40.152%0.51722%0.216SC..SBendtrans-81.8-25.2175.5-52.9-170.1-168.3-138.50113.3A526 D561 S563K523-A526 WeakPolarHBondContact O-CB 3.5Å; K523-A526 PolarHBondContact O-N 2.75Å; K523-D561 WeakPolarHBondContact CD-OD2 3.06Å; K523-D561 WeakPolarHBondContact CE-OD2 3.39Å; K523-D561 IonicContact NZ-OD2 2.79Å; K523-D561 PolarHBondContact NZ-OD2 3.26Å; K523-S563 PolarHBondContact NZ-OG 2.89Å
524E74.3Confident72.7Confident112 Ų11240 Ų4052%0.52322%0.217SC..THydrogen-bonded Turntrans-56.6-41.3-179.7-63.4147.9146.700114.6W490 S522 A526W490-E524 HydrophobicContact CB-CB 4.42Å; W490-E524 WeakPolarHBondContact CB-OE2 3.41Å; W490-E524 HydrophobicContact CD2-CB 3.78Å; W490-E524 HydrophobicContact CE3-CB 4.39Å; W490-E524 HydrophobicContact CG-CB 3.75Å; W490-E524 HydrophobicContact CG-CG 4.27Å; S522-E524 PolarHBondContact OG-N 3.29Å; S522-E524 PolarHBondContact OG-OE2 3.44Å; E524-A526 PolarHBondContact O-N 2.9Å
525P72.4Confident71.9Confident0 Ų048.4 Ų48.40%025%0.248CC..THydrogen-bonded Turntrans-66.1-18-179.220.6-34.2000115.5W490 M518 M519 S522 R527 S528 V529W490-P525 HydrophobicContact CE3-CB 4.49Å; W490-P525 HydrophobicContact CH2-CB 3.46Å; W490-P525 VanDerWaalsContact CH2-CB 3.46Å; W490-P525 HydrophobicContact CH2-CG 4.3Å; W490-P525 HydrophobicContact CZ2-CB 4.3Å; W490-P525 HydrophobicContact CZ3-CB 3.57Å; W490-P525 HydrophobicContact CZ3-CG 3.94Å; M518-P525 HydrophobicContact CE-CB 3.75Å; M518-P525 HydrophobicContact CG-CB 4.04Å; M518-P525 HydrophobicContact CG-CG 4.06Å; M518-P525 HydrophobicContact SD-CB 4.24Å; M519-P525 HydrophobicContact SD-CB 3.73Å; M519-P525 HydrophobicContact SD-CG 3.87Å; S522-P525 VanDerWaalsContact O-CD 3.29Å; S522-P525 WeakPolarHBondContact O-CD 3.39Å; S522-P525 VanDerWaalsContact O-CG 3.23Å; S522-P525 WeakPolarHBondContact O-CG 3.25Å; P525-R527 PolarHBondContact O-N 3.07Å; P525-S528 PolarHBondContact O-N 3.01Å; P525-V529 HydrophobicContact CB-CG2 4.16Å; P525-V529 WeakPolarHBondContact O-CG2 3.27Å; P525-V529 PolarHBondContact O-N 3.13Å
526A64.9Low71.4Confident19 Ų1951.3 Ų51.316%0.15726%0.259CS..Hα-helixtrans-52.7-51.1-165.500000112.5M519 K523 E524 S528 V529 L530M519-A526 HydrophobicContact CE-CB 4.19Å; K523-A526 WeakPolarHBondContact O-CB 3.5Å; K523-A526 PolarHBondContact O-N 2.75Å; E524-A526 PolarHBondContact O-N 2.9Å; A526-S528 PolarHBondContact O-N 3.24Å; A526-V529 PolarHBondContact O-N 3.3Å; A526-L530 WeakPolarHBondContact O-CB 3.27Å; A526-L530 WeakPolarHBondContact O-CG 3.44Å; A526-L530 PolarHBondContact O-N 2.8Å
527R67.8Low70.9Confident181 Ų18150.8 Ų50.868%0.68326%0.255SS*.Hα-helixtrans-61.1-45.4179.4-172.3178.7-178.6-170.21.5112.8P525 V529 L530 L531P525-R527 PolarHBondContact O-N 3.07Å; R527-V529 VanDerWaalsContact C-N 3.35Å; R527-V529 PolarHBondContact O-N 2.86Å; R527-L530 PolarHBondContact O-N 2.85Å; R527-L531 HydrophobicContact CG-CD1 4.41Å; R527-L531 WeakPolarHBondContact O-CG 3.15Å; R527-L531 PolarHBondContact O-N 2.68Å; R527-L531 VanDerWaalsContact O-N 3.1Å
528S70.3Confident70.3Confident56 Ų5655.4 Ų55.439%0.39228%0.276SS..Hα-helixtrans-64.4-40.1-178.9-62.90000111.8P525 A526 L532P525-S528 PolarHBondContact O-N 3.01Å; A526-S528 PolarHBondContact O-N 3.24Å; S528-L532 PolarHBondContact O-N 3.27Å; S528-L532 VanDerWaalsContact O-N 3.09Å
529V69.8Low69.6Low5 Ų561.2 Ų61.23%0.0331%0.307CS..Hα-helixtrans-71.1-41.3178.2173.10000111.7V515 M518 M519 P525 A526 R527 L531 L532 L533 I556V515-V529 HydrophobicContact CG1-CB 4.24Å; V515-V529 HydrophobicContact CG1-CG1 3.6Å; V515-V529 HydrophobicContact CG1-CG2 3.55Å; M518-V529 HydrophobicContact CE-CG2 3.63Å; M519-V529 HydrophobicContact CE-CB 4.32Å; M519-V529 HydrophobicContact CE-CG1 4.32Å; M519-V529 HydrophobicContact CG-CB 4.17Å; M519-V529 HydrophobicContact CG-CG1 4.01Å; M519-V529 HydrophobicContact CG-CG2 3.81Å; M519-V529 HydrophobicContact SD-CB 3.62Å; M519-V529 HydrophobicContact SD-CG1 3.99Å; M519-V529 HydrophobicContact SD-CG2 3.54Å; M519-V529 VanDerWaalsContact SD-CG2 3.54Å; P525-V529 HydrophobicContact CB-CG2 4.16Å; P525-V529 WeakPolarHBondContact O-CG2 3.27Å; P525-V529 PolarHBondContact O-N 3.13Å; A526-V529 PolarHBondContact O-N 3.3Å; R527-V529 VanDerWaalsContact C-N 3.35Å; R527-V529 PolarHBondContact O-N 2.86Å; V529-L531 VanDerWaalsContact C-N 3.29Å; V529-L531 PolarHBondContact O-N 2.97Å; V529-L532 PolarHBondContact O-N 3.1Å; V529-L532 VanDerWaalsContact O-N 3.16Å; V529-L533 HydrophobicContact CG1-CD1 4.4Å; V529-L533 HydrophobicContact CG1-CG 4.42Å; V529-L533 WeakPolarHBondContact O-CB 3.41Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 3.17Å; V529-I556 HydrophobicContact CG1-CD1 3.68Å; V529-I556 HydrophobicContact CG1-CG1 4.35Å; V529-I556 HydrophobicContact CG1-CG2 4.11Å
530L66Low69.2Low18 Ų1861.5 Ų61.59%0.09431%0.311CS..Hα-helixtrans-62.7-36.4176.3-66.5170000111.9A526 R527 T534 I560 D567 F571A526-L530 WeakPolarHBondContact O-CB 3.27Å; A526-L530 WeakPolarHBondContact O-CG 3.44Å; A526-L530 PolarHBondContact O-N 2.8Å; R527-L530 PolarHBondContact O-N 2.85Å; L530-T534 WeakPolarHBondContact O-CB 3.3Å; L530-T534 PolarHBondContact O-N 3.4Å; L530-T534 PolarHBondContact O-OG1 3.31Å; L530-I560 HydrophobicContact CD2-CD1 4.4Å; L530-D567 HydrophobicContact CD1-CB 4.03Å; L530-F571 HydrophobicContact CB-CD2 4.12Å; L530-F571 HydrophobicContact CD1-CB 4.18Å; L530-F571 HydrophobicContact CD2-CB 3.86Å; L530-F571 HydrophobicContact CD2-CD1 3.89Å; L530-F571 HydrophobicContact CD2-CD2 3.59Å; L530-F571 HydrophobicContact CD2-CE1 4.3Å; L530-F571 HydrophobicContact CD2-CE2 4.04Å; L530-F571 HydrophobicContact CD2-CG 3.51Å; L530-F571 HydrophobicContact CD2-CZ 4.38Å; L530-F571 HydrophobicContact CG-CB 4.41Å; L530-F571 HydrophobicContact CG-CD2 4.39Å; L530-F571 HydrophobicContact CG-CG 4.45Å
531L69.3Low68.7Low93 Ų9363.5 Ų63.549%0.48732%0.321SS..Hα-helixtrans-66.1-41.5172.7-74.9168.7000112.3R527 V529 T534 R535R527-L531 HydrophobicContact CG-CD1 4.41Å; R527-L531 WeakPolarHBondContact O-CG 3.15Å; R527-L531 PolarHBondContact O-N 2.68Å; R527-L531 VanDerWaalsContact O-N 3.1Å; V529-L531 VanDerWaalsContact C-N 3.29Å; V529-L531 PolarHBondContact O-N 2.97Å; L531-T534 PolarHBondContact O-N 3.49Å; L531-R535 WeakPolarHBondContact O-CG 3.4Å; L531-R535 PolarHBondContact O-N 3.07Å
532L72.5Confident68.1Low39 Ų3963.7 Ų63.720%0.20432%0.319CS..Hα-helixtrans-64.3-45.7176.6-177.3139.3000111.3Y498 E511 S528 V529 T534 R535 R536 F552Y498-L532 WeakPolarHBondContact OH-CD1 3.42Å; E511-L532 HydrophobicContact CG-CD1 4.34Å; E511-L532 HydrophobicContact CG-CD2 4.12Å; S528-L532 PolarHBondContact O-N 3.27Å; S528-L532 VanDerWaalsContact O-N 3.09Å; V529-L532 PolarHBondContact O-N 3.1Å; V529-L532 VanDerWaalsContact O-N 3.16Å; L532-T534 PolarHBondContact O-N 3.46Å; L532-R535 PolarHBondContact O-N 3.33Å; L532-R536 HydrophobicContact CD2-CG 4.42Å; L532-R536 WeakPolarHBondContact O-CG 3.48Å; L532-R536 PolarHBondContact O-N 3.29Å; L532-F552 HydrophobicContact CD2-CE1 4.01Å; L532-F552 HydrophobicContact CD2-CZ 4.3Å
533L67.9Low67.7Low1 Ų166.1 Ų66.11%0.00533%0.329CS..Hα-helixtrans-58.7-46.9174-78.8-177.6000112V529 R535 R536 I537 F552 V553 I556 F571V529-L533 HydrophobicContact CG1-CD1 4.4Å; V529-L533 HydrophobicContact CG1-CG 4.42Å; V529-L533 WeakPolarHBondContact O-CB 3.41Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 3.17Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.43Å; L533-R536 PolarHBondContact O-N 3.32Å; L533-I537 WeakPolarHBondContact O-CB 3.25Å; L533-I537 VanDerWaalsContact O-CG1 3.26Å; L533-I537 WeakPolarHBondContact O-CG1 3.4Å; L533-I537 PolarHBondContact O-N 3.11Å; L533-F552 HydrophobicContact CD2-CD1 3.42Å; L533-F552 VanDerWaalsContact CD2-CD1 3.42Å; L533-F552 HydrophobicContact CD2-CE1 3.38Å; L533-F552 HydrophobicContact CG-CE1 4.32Å; L533-V553 HydrophobicContact CD2-CG2 3.76Å; L533-I556 HydrophobicContact CD1-CB 4.33Å; L533-I556 HydrophobicContact CD1-CD1 3.78Å; L533-I556 HydrophobicContact CD1-CG2 3.97Å; L533-I556 HydrophobicContact CD2-CD1 3.84Å; L533-I556 HydrophobicContact CG-CD1 3.95Å; L533-F571 HydrophobicContact CB-CE2 4.08Å; L533-F571 HydrophobicContact CD1-CE2 4.37Å; L533-F571 HydrophobicContact CD1-CZ 4.22Å
534T65.6Low67.6Low17 Ų1765 Ų6510%0.10433%0.333CS..Hα-helixtrans-55.5-47.4176.4-65.10000111.1L530 L531 L532 I537 M538 I574L530-T534 WeakPolarHBondContact O-CB 3.3Å; L530-T534 PolarHBondContact O-N 3.4Å; L530-T534 PolarHBondContact O-OG1 3.31Å; L531-T534 PolarHBondContact O-N 3.49Å; L532-T534 PolarHBondContact O-N 3.46Å; T534-I537 PolarHBondContact O-N 3.13Å; T534-M538 HydrophobicContact CG2-CE 4.13Å; T534-M538 WeakPolarHBondContact O-CB 3.35Å; T534-M538 VanDerWaalsContact O-CG 3.32Å; T534-M538 WeakPolarHBondContact O-CG 3.45Å; T534-M538 PolarHBondContact O-N 3.42Å; T534-I574 HydrophobicContact CG2-CG2 3.52Å
535R71.3Confident67.2Low176 Ų17662.7 Ų62.766%0.66432%0.323SS*.Hα-helixtrans-62.6-43.3177.5-74.4178.2-179.2-178.21.5112.1L531 L532 L533 M538 L539L531-R535 WeakPolarHBondContact O-CG 3.4Å; L531-R535 PolarHBondContact O-N 3.07Å; L532-R535 PolarHBondContact O-N 3.33Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.43Å; R535-M538 PolarHBondContact O-N 3.38Å; R535-L539 WeakPolarHBondContact O-CB 3.41Å; R535-L539 WeakPolarHBondContact O-CD1 3.27Å; R535-L539 WeakPolarHBondContact O-CG 3.47Å; R535-L539 PolarHBondContact O-N 3.35Å
536R70.1Confident66.8Low63 Ų6363 Ų6324%0.23833%0.325CS..Hα-helixtrans-62.4-47.6178.7-73.3-72.2-171.5-165.4-3.8111.9E511 L532 L533 M538 L539 A540 I549E511-R536 IonicContact OE1-CZ 3.53Å; E511-R536 IonicContact OE1-NE 2.91Å; E511-R536 PolarHBondContact OE1-NE 3.33Å; E511-R536 IonicContact OE1-NH2 3.36Å; E511-R536 PolarHBondContact OE1-NH2 3.41Å; E511-R536 IonicContact OE2-CZ 3.59Å; E511-R536 VanDerWaalsContact OE2-CZ 3.25Å; E511-R536 IonicContact OE2-NE 2.63Å; E511-R536 PolarHBondContact OE2-NE 2.82Å; E511-R536 IonicContact OE2-NH2 2.69Å; E511-R536 PolarHBondContact OE2-NH2 3.36Å; L532-R536 HydrophobicContact CD2-CG 4.42Å; L532-R536 WeakPolarHBondContact O-CG 3.48Å; L532-R536 PolarHBondContact O-N 3.29Å; L533-R536 PolarHBondContact O-N 3.32Å; R536-M538 VanDerWaalsContact C-N 3.32Å; R536-M538 PolarHBondContact O-N 2.85Å; R536-L539 PolarHBondContact O-N 3.14Å; R536-A540 PolarHBondContact O-N 3.4Å; R536-A540 VanDerWaalsContact O-N 3.09Å; R536-I549 HydrophobicContact CB-CD1 4.14Å; R536-I549 HydrophobicContact CB-CG1 4.42Å; R536-I549 HydrophobicContact CB-CG2 4.46Å; R536-I549 WeakPolarHBondContact O-CD1 3.32Å
537I66Low66.8Low9 Ų967.2 Ų67.25%0.04634%0.343CS..Hα-helixtrans-58.2-44.5176.3-72.3173.5000110.5L533 T534 L539 A540 I549 V553 F578 Y604 L607L533-I537 WeakPolarHBondContact O-CB 3.25Å; L533-I537 VanDerWaalsContact O-CG1 3.26Å; L533-I537 WeakPolarHBondContact O-CG1 3.4Å; L533-I537 PolarHBondContact O-N 3.11Å; T534-I537 PolarHBondContact O-N 3.13Å; I537-L539 VanDerWaalsContact C-N 3.31Å; I537-L539 PolarHBondContact O-N 2.92Å; I537-A540 PolarHBondContact O-N 2.84Å; I537-I549 HydrophobicContact CG1-CG2 4.17Å; I537-V553 HydrophobicContact CD1-CG2 4.38Å; I537-F578 HydrophobicContact CG2-CD1 4.11Å; I537-F578 HydrophobicContact CG2-CE1 4.33Å; I537-F578 HydrophobicContact CG2-CG 4.38Å; I537-Y604 HydrophobicContact CG2-CE1 3.88Å; I537-Y604 WeakPolarHBondContact CG2-OH 3.47Å; I537-Y604 PolarHBondContact O-OH 3.28Å; I537-L607 HydrophobicContact CD1-CD2 4.4Å
538M66.7Low66.7Low112 Ų11261.8 Ų61.855%0.55234%0.337SS*.Hα-helixtrans-69.2-24.6178.3-71.9-153.2-66.400114.5T534 R535 R536 F578T534-M538 HydrophobicContact CG2-CE 4.13Å; T534-M538 WeakPolarHBondContact O-CB 3.35Å; T534-M538 VanDerWaalsContact O-CG 3.32Å; T534-M538 WeakPolarHBondContact O-CG 3.45Å; T534-M538 PolarHBondContact O-N 3.42Å; R535-M538 PolarHBondContact O-N 3.38Å; R536-M538 VanDerWaalsContact C-N 3.32Å; R536-M538 PolarHBondContact O-N 2.85Å; M538-F578 HydrophobicContact CB-CE2 4.3Å; M538-F578 HydrophobicContact CG-CD2 3.81Å; M538-F578 HydrophobicContact CG-CE2 4Å
539L68.4Low66.6Low130 Ų13060.5 Ų60.568%0.68133%0.325SS*.Hα-helixtrans-90.2-13.9179.3-70.8168.4000113R535 R536 I537 S541R535-L539 WeakPolarHBondContact O-CB 3.41Å; R535-L539 WeakPolarHBondContact O-CD1 3.27Å; R535-L539 WeakPolarHBondContact O-CG 3.47Å; R535-L539 PolarHBondContact O-N 3.35Å; R536-L539 PolarHBondContact O-N 3.14Å; I537-L539 VanDerWaalsContact C-N 3.31Å; I537-L539 PolarHBondContact O-N 2.92Å; L539-S541 PolarHBondContact O-N 2.92Å; L539-S541 VanDerWaalsContact O-N 3.13Å
540A66.2Low66.5Low16 Ų1661.7 Ų61.713%0.13233%0.331CS..  trans-70107.8179.200000110R536 I537 E545 C546 I549R536-A540 PolarHBondContact O-N 3.4Å; R536-A540 VanDerWaalsContact O-N 3.09Å; I537-A540 PolarHBondContact O-N 2.84Å; A540-E545 HydrophobicContact CB-CB 4.23Å; A540-C546 VanDerWaalsContact CB-SG 3.59Å; A540-I549 HydrophobicContact CB-CD1 3.66Å
541S59.1Low66.5Low112 Ų11264.1 Ų64.178%0.78335%0.348SS*.  trans-108.2-11.3-17562.50000113L539 E545L539-S541 PolarHBondContact O-N 2.92Å; L539-S541 VanDerWaalsContact O-N 3.13Å; S541-E545 PolarHBondContact N-OE2 3.4Å; S541-E545 PolarHBondContact OG-OE2 3.25Å
542S62.6Low66.3Low42 Ų4260.3 Ų60.329%0.29433%0.327SS..SBendtrans-129.5149.6-177.366.20000111.7E545 C546S542-E545 PolarHBondContact N-OE2 2.73Å; S542-E545 WeakPolarHBondContact O-CB 3.41Å; S542-E545 PolarHBondContact O-N 2.92Å; S542-E545 VanDerWaalsContact O-N 3.08Å; S542-E545 VanDerWaalsContact OG-CG 3.28Å; S542-E545 WeakPolarHBondContact OG-CG 3.46Å; S542-E545 PolarHBondContact OG-OE2 2.79Å; S542-C546 PolarHBondContact O-N 3.3Å
543E61.1Low66.1Low69 Ų6958.5 Ų58.532%0.32232%0.318SS..Hα-helixtrans-48.5-46.8173.8-173-179168.900113.8E545 C546 M547 A596 S599E543-E545 VanDerWaalsContact C-N 3.33Å; E543-E545 PolarHBondContact O-N 2.97Å; E543-C546 PolarHBondContact O-N 2.79Å; E543-M547 HydrophobicContact CG-CG 4.42Å; E543-M547 WeakPolarHBondContact O-CB 3.39Å; E543-M547 VanDerWaalsContact O-CG 3.28Å; E543-M547 WeakPolarHBondContact O-CG 3.34Å; E543-M547 PolarHBondContact O-N 3.21Å; E543-A596 WeakPolarHBondContact OE2-CA 3.38Å; E543-S599 VanDerWaalsContact CD-CB 3.48Å; E543-S599 WeakPolarHBondContact OE1-CB 3.31Å; E543-S599 PolarHBondContact OE1-OG 3.33Å
544P67.1Low66.1Low94 Ų9463.3 Ų63.361%0.6134%0.339SS*.Hα-helixtrans-64.4-32.2177.221.7-32.8000114A548P544-A548 WeakPolarHBondContact O-CB 3.27Å; P544-A548 PolarHBondContact O-N 3.41Å
545E66Low66.1Low65 Ų6566.1 Ų66.130%0.30435%0.353SS..Hα-helixtrans-69.2-42.7174.6-73.9175154.400111.4A540 S541 S542 E543 A548 I549A540-E545 HydrophobicContact CB-CB 4.23Å; S541-E545 PolarHBondContact N-OE2 3.4Å; S541-E545 PolarHBondContact OG-OE2 3.25Å; S542-E545 PolarHBondContact N-OE2 2.73Å; S542-E545 WeakPolarHBondContact O-CB 3.41Å; S542-E545 PolarHBondContact O-N 2.92Å; S542-E545 VanDerWaalsContact O-N 3.08Å; S542-E545 VanDerWaalsContact OG-CG 3.28Å; S542-E545 WeakPolarHBondContact OG-CG 3.46Å; S542-E545 PolarHBondContact OG-OE2 2.79Å; E543-E545 VanDerWaalsContact C-N 3.33Å; E543-E545 PolarHBondContact O-N 2.97Å; E545-A548 PolarHBondContact O-N 3.09Å; E545-I549 WeakPolarHBondContact O-CD1 3.27Å; E545-I549 VanDerWaalsContact O-CG1 3.31Å; E545-I549 WeakPolarHBondContact O-CG1 3.41Å; E545-I549 PolarHBondContact O-N 2.9Å; E545-I549 VanDerWaalsContact O-N 3.08Å
546C63.4Low65.8Low6 Ų657.8 Ų57.84%0.04132%0.322CS..Hα-helixtrans-60-48173.3-71.40000111.1A540 S542 E543 A548 I549 L550 T600A540-C546 VanDerWaalsContact CB-SG 3.59Å; S542-C546 PolarHBondContact O-N 3.3Å; E543-C546 PolarHBondContact O-N 2.79Å; C546-A548 PolarHBondContact O-N 3.32Å; C546-I549 PolarHBondContact O-N 3.27Å; C546-I549 VanDerWaalsContact O-N 3.11Å; C546-L550 WeakPolarHBondContact O-CD1 3.29Å; C546-L550 WeakPolarHBondContact O-CG 3.4Å; C546-L550 PolarHBondContact O-N 3.19Å; C546-T600 HydrophobicContact CB-CG2 4.41Å
547M65.7Low65.7Low107 Ų10755 Ų5553%0.52731%0.312SS..Hα-helixtrans-64.8-23.4178.7-67.4-60.4-76.200113.2E543 L550 P551 A603E543-M547 HydrophobicContact CG-CG 4.42Å; E543-M547 WeakPolarHBondContact O-CB 3.39Å; E543-M547 VanDerWaalsContact O-CG 3.28Å; E543-M547 WeakPolarHBondContact O-CG 3.34Å; E543-M547 PolarHBondContact O-N 3.21Å; M547-L550 HydrophobicContact SD-CD1 4.32Å; M547-P551 WeakPolarHBondContact O-CD 3.24Å; M547-A603 HydrophobicContact SD-CB 4.08Å
548A65.6Low65.7Low68 Ų6860.3 Ų60.356%0.56234%0.34SS*.Hα-helixtrans-79.8-33.2172.500000113.3P544 E545 C546P544-A548 WeakPolarHBondContact O-CB 3.27Å; P544-A548 PolarHBondContact O-N 3.41Å; E545-A548 PolarHBondContact O-N 3.09Å; C546-A548 PolarHBondContact O-N 3.32Å
549I67.7Low65.5Low28 Ų2856 Ų5614%0.14432%0.322CS..Hα-helixtrans-80.2-34.4-178.5-67.7160.5000111.6R536 I537 A540 E545 C546 F552 V553R536-I549 HydrophobicContact CB-CD1 4.14Å; R536-I549 HydrophobicContact CB-CG1 4.42Å; R536-I549 HydrophobicContact CB-CG2 4.46Å; R536-I549 WeakPolarHBondContact O-CD1 3.32Å; I537-I549 HydrophobicContact CG1-CG2 4.17Å; A540-I549 HydrophobicContact CB-CD1 3.66Å; E545-I549 WeakPolarHBondContact O-CD1 3.27Å; E545-I549 VanDerWaalsContact O-CG1 3.31Å; E545-I549 WeakPolarHBondContact O-CG1 3.41Å; E545-I549 PolarHBondContact O-N 2.9Å; E545-I549 VanDerWaalsContact O-N 3.08Å; C546-I549 PolarHBondContact O-N 3.27Å; C546-I549 VanDerWaalsContact O-N 3.11Å; I549-F552 WeakPolarHBondContact O-CA 3.32Å; I549-F552 VanDerWaalsContact O-CB 3.28Å; I549-F552 WeakPolarHBondContact O-CB 3.3Å; I549-F552 PolarHBondContact O-N 3.5Å; I549-F552 VanDerWaalsContact O-N 3.09Å; I549-V553 HydrophobicContact CG2-CG2 3.89Å; I549-V553 WeakPolarHBondContact O-CG2 3.48Å; I549-V553 PolarHBondContact O-N 3.36Å
550L67.4Low65.4Low31 Ų3151 Ų5116%0.16230%0.296CS..Hα-helixtrans-62.3-43.3-173.3-72.8165.3000114.9C546 M547 F552 V553 K554 A603 L607C546-L550 WeakPolarHBondContact O-CD1 3.29Å; C546-L550 WeakPolarHBondContact O-CG 3.4Å; C546-L550 PolarHBondContact O-N 3.19Å; M547-L550 HydrophobicContact SD-CD1 4.32Å; L550-F552 PolarHBondContact O-N 3.26Å; L550-V553 PolarHBondContact O-N 2.88Å; L550-K554 PolarHBondContact O-N 3.15Å; L550-A603 HydrophobicContact CD1-CB 3.23Å; L550-L607 HydrophobicContact CD2-CB 3.64Å; L550-L607 HydrophobicContact CD2-CD2 4.03Å; L550-L607 HydrophobicContact CD2-CG 4.27Å
551P66.4Low65.4Low69 Ų6953.7 Ų53.745%0.44831%0.308SS..Hα-helixtrans-59.5-35.3172.8-24.434.4000112.7M547 K554 N555M547-P551 WeakPolarHBondContact O-CD 3.24Å; P551-K554 PolarHBondContact O-N 3.07Å; P551-N555 PolarHBondContact O-N 2.85Å
552F65.9Low65.9Low12 Ų1250.6 Ų50.65%0.05328%0.281CS..Hα-helixtrans-66.3-44.4176.1176.9-116.8000111.6E511 V515 P516 L532 L533 I549 L550 K554 N555 I556E511-F552 HydrophobicContact CB-CE2 4.26Å; E511-F552 HydrophobicContact CB-CZ 4Å; E511-F552 WeakPolarHBondContact O-CE2 3.49Å; V515-F552 HydrophobicContact CB-CE2 3.99Å; V515-F552 HydrophobicContact CB-CZ 3.94Å; V515-F552 HydrophobicContact CG1-CE2 4.23Å; V515-F552 HydrophobicContact CG1-CZ 3.91Å; V515-F552 HydrophobicContact CG2-CZ 4.34Å; P516-F552 HydrophobicContact CG-CE2 4.31Å; L532-F552 HydrophobicContact CD2-CE1 4.01Å; L532-F552 HydrophobicContact CD2-CZ 4.3Å; L533-F552 HydrophobicContact CD2-CD1 3.42Å; L533-F552 VanDerWaalsContact CD2-CD1 3.42Å; L533-F552 HydrophobicContact CD2-CE1 3.38Å; L533-F552 HydrophobicContact CG-CE1 4.32Å; I549-F552 WeakPolarHBondContact O-CA 3.32Å; I549-F552 VanDerWaalsContact O-CB 3.28Å; I549-F552 WeakPolarHBondContact O-CB 3.3Å; I549-F552 PolarHBondContact O-N 3.5Å; I549-F552 VanDerWaalsContact O-N 3.09Å; L550-F552 PolarHBondContact O-N 3.26Å; F552-K554 PolarHBondContact O-N 3.44Å; F552-N555 PolarHBondContact O-N 3.49Å; F552-I556 HydrophobicContact CD1-CD1 3.91Å; F552-I556 HydrophobicContact CD2-CD1 4.08Å; F552-I556 HydrophobicContact CE1-CD1 3.49Å; F552-I556 VanDerWaalsContact CE1-CD1 3.49Å; F552-I556 HydrophobicContact CE2-CD1 3.65Å; F552-I556 HydrophobicContact CE2-CG1 4.36Å; F552-I556 HydrophobicContact CG-CD1 4.21Å; F552-I556 HydrophobicContact CZ-CD1 3.36Å; F552-I556 HydrophobicContact CZ-CG1 4.48Å; F552-I556 WeakPolarHBondContact O-CG1 3.26Å; F552-I556 PolarHBondContact O-N 2.99Å
553V68.5Low66Low1 Ų152 Ų521%0.00629%0.291CS..Hα-helixtrans-62.5-43175-174.70000111L533 I537 I549 L550 N555 I556 L557 L607L533-V553 HydrophobicContact CD2-CG2 3.76Å; I537-V553 HydrophobicContact CD1-CG2 4.38Å; I549-V553 HydrophobicContact CG2-CG2 3.89Å; I549-V553 WeakPolarHBondContact O-CG2 3.48Å; I549-V553 PolarHBondContact O-N 3.36Å; L550-V553 PolarHBondContact O-N 2.88Å; V553-N555 PolarHBondContact O-N 3.26Å; V553-I556 PolarHBondContact O-N 2.69Å; V553-I556 VanDerWaalsContact O-N 3.17Å; V553-L557 HydrophobicContact CG1-CD1 4.07Å; V553-L557 HydrophobicContact CG1-CG 4.2Å; V553-L557 VanDerWaalsContact O-CG 3.32Å; V553-L557 WeakPolarHBondContact O-CG 3.17Å; V553-L557 PolarHBondContact O-N 2.92Å; V553-L607 HydrophobicContact CB-CD1 3.96Å; V553-L607 HydrophobicContact CG1-CD1 3.26Å; V553-L607 HydrophobicContact CG1-CD2 4.4Å; V553-L607 HydrophobicContact CG1-CG 4.46Å
554K67.6Low66.2Low103 Ų10351 Ų5145%0.44829%0.29SS..Hα-helixtrans-59.7-44.2177.3-175.6175.9179.7175.30112.4L550 P551 F552 I556 L557 N558L550-K554 PolarHBondContact O-N 3.15Å; P551-K554 PolarHBondContact O-N 3.07Å; F552-K554 PolarHBondContact O-N 3.44Å; K554-I556 VanDerWaalsContact C-N 3.3Å; K554-I556 PolarHBondContact O-N 3.29Å; K554-L557 PolarHBondContact O-N 3.4Å; K554-N558 PolarHBondContact O-N 3.42Å; K554-N558 VanDerWaalsContact O-N 3.11Å; K554-N558 PolarHBondContact O-ND2 3.21Å
555N64.5Low66.5Low76 Ų7648.2 Ų48.241%0.40628%0.275SS..Hα-helixtrans-63.8-36.7176.3-73.1-16.6000112.1P516 P551 F552 V553 A559P516-N555 HydrophobicContact CB-CB 4.46Å; P516-N555 HydrophobicContact CG-CB 4.44Å; P551-N555 PolarHBondContact O-N 2.85Å; F552-N555 PolarHBondContact O-N 3.49Å; V553-N555 PolarHBondContact O-N 3.26Å; N555-A559 PolarHBondContact O-N 3.41Å
556I65.7Low66.9Low1 Ų150.9 Ų50.91%0.00529%0.292CS..Hα-helixtrans-69.7-42.9175-70.2166.5000111.1V515 M519 V529 L533 F552 V553 K554 N558 A559 I560V515-I556 HydrophobicContact CG1-CD1 3.98Å; V515-I556 HydrophobicContact CG1-CG1 4.4Å; M519-I556 HydrophobicContact CE-CG2 4.11Å; V529-I556 HydrophobicContact CG1-CD1 3.68Å; V529-I556 HydrophobicContact CG1-CG1 4.35Å; V529-I556 HydrophobicContact CG1-CG2 4.11Å; L533-I556 HydrophobicContact CD1-CB 4.33Å; L533-I556 HydrophobicContact CD1-CD1 3.78Å; L533-I556 HydrophobicContact CD1-CG2 3.97Å; L533-I556 HydrophobicContact CD2-CD1 3.84Å; L533-I556 HydrophobicContact CG-CD1 3.95Å; F552-I556 HydrophobicContact CD1-CD1 3.91Å; F552-I556 HydrophobicContact CD2-CD1 4.08Å; F552-I556 HydrophobicContact CE1-CD1 3.49Å; F552-I556 VanDerWaalsContact CE1-CD1 3.49Å; F552-I556 HydrophobicContact CE2-CD1 3.65Å; F552-I556 HydrophobicContact CE2-CG1 4.36Å; F552-I556 HydrophobicContact CG-CD1 4.21Å; F552-I556 HydrophobicContact CZ-CD1 3.36Å; F552-I556 HydrophobicContact CZ-CG1 4.48Å; F552-I556 WeakPolarHBondContact O-CG1 3.26Å; F552-I556 PolarHBondContact O-N 2.99Å; V553-I556 PolarHBondContact O-N 2.69Å; V553-I556 VanDerWaalsContact O-N 3.17Å; K554-I556 VanDerWaalsContact C-N 3.3Å; K554-I556 PolarHBondContact O-N 3.29Å; I556-N558 VanDerWaalsContact C-N 3.25Å; I556-N558 PolarHBondContact O-N 3.13Å; I556-A559 CarbonylContact O-C 3.42Å; I556-A559 WeakPolarHBondContact O-CA 3.27Å; I556-A559 PolarHBondContact O-N 2.87Å; I556-I560 HydrophobicContact CG2-CD1 4.11Å; I556-I560 HydrophobicContact CG2-CG1 4.13Å; I556-I560 WeakPolarHBondContact O-CG1 3.35Å; I556-I560 PolarHBondContact O-N 3.25Å
557L67.4Low67.1Low5 Ų553.1 Ų53.13%0.02630%0.303CS..Hα-helixtrans-57.8-39177-72169.7000112.1V553 K554 A559 I560 F568 L607 D610 M611V553-L557 HydrophobicContact CG1-CD1 4.07Å; V553-L557 HydrophobicContact CG1-CG 4.2Å; V553-L557 VanDerWaalsContact O-CG 3.32Å; V553-L557 WeakPolarHBondContact O-CG 3.17Å; V553-L557 PolarHBondContact O-N 2.92Å; K554-L557 PolarHBondContact O-N 3.4Å; L557-A559 PolarHBondContact O-N 3.24Å; L557-I560 HydrophobicContact CD2-CD1 4.13Å; L557-F568 HydrophobicContact CD2-CE2 4.36Å; L557-L607 HydrophobicContact CD1-CD1 3.92Å; L557-D610 HydrophobicContact CD1-CB 4.45Å; L557-M611 HydrophobicContact CD1-CB 4.46Å; L557-M611 HydrophobicContact CD1-CG 3.59Å; L557-M611 HydrophobicContact CD2-CB 4.48Å; L557-M611 HydrophobicContact CD2-CG 3.74Å; L557-M611 HydrophobicContact CG-CG 4.33Å
558N66.7Low67.7Low120 Ų12048.2 Ų48.264%0.64228%0.279SS*.THydrogen-bonded Turntrans-67.6-19.6174.5-69.3-19.3000113.4K554 I556K554-N558 PolarHBondContact O-N 3.42Å; K554-N558 VanDerWaalsContact O-N 3.11Å; K554-N558 PolarHBondContact O-ND2 3.21Å; I556-N558 VanDerWaalsContact C-N 3.25Å; I556-N558 PolarHBondContact O-N 3.13Å
559A62.8Low68.6Low20 Ų2047 Ų4717%0.16526%0.262CS..THydrogen-bonded Turntrans-104.2-5.4-177.200000113.8M519 A520 N555 I556 L557 D561M519-A559 HydrophobicContact CB-CB 4.18Å; A520-A559 HydrophobicContact CB-CB 3.99Å; N555-A559 PolarHBondContact O-N 3.41Å; I556-A559 CarbonylContact O-C 3.42Å; I556-A559 WeakPolarHBondContact O-CA 3.27Å; I556-A559 PolarHBondContact O-N 2.87Å; L557-A559 PolarHBondContact O-N 3.24Å; A559-D561 PolarHBondContact O-N 3.25Å
560I67Low68.9Low26 Ų2651.7 Ų51.713%0.13328%0.283CS..  trans-73.1126.4-179-76.6168.4000110.6M519 L530 I556 L557 F562M519-I560 HydrophobicContact CE-CG1 3.9Å; L530-I560 HydrophobicContact CD2-CD1 4.4Å; I556-I560 HydrophobicContact CG2-CD1 4.11Å; I556-I560 HydrophobicContact CG2-CG1 4.13Å; I556-I560 WeakPolarHBondContact O-CG1 3.35Å; I556-I560 PolarHBondContact O-N 3.25Å; L557-I560 HydrophobicContact CD2-CD1 4.13Å; I560-F562 HydrophobicContact CG2-CD1 4.31Å; I560-F562 HydrophobicContact CG2-CE1 4.32Å; I560-F562 HydrophobicContact CG2-CG 4.49Å; I560-F562 HydrophobicContact CG2-CZ 4.48Å; I560-F562 PolarHBondContact O-N 3.07Å
561D65.1Low69.3Low72 Ų7250.4 Ų50.439%0.38528%0.276SS..  trans-77.6106.9164.8-177.2-12.8000110K523 A559 S563K523-D561 WeakPolarHBondContact CD-OD2 3.06Å; K523-D561 WeakPolarHBondContact CE-OD2 3.39Å; K523-D561 IonicContact NZ-OD2 2.79Å; K523-D561 PolarHBondContact NZ-OD2 3.26Å; A559-D561 PolarHBondContact O-N 3.25Å; D561-S563 PolarHBondContact O-N 3.03Å; D561-S563 WeakPolarHBondContact OD1-CB 3.49Å; D561-S563 PolarHBondContact OD1-N 3.38Å; D561-S563 PolarHBondContact OD1-OG 3.27Å; D561-S563 PolarHBondContact OD2-OG 3.06Å
562F69.6Low70.1Confident48 Ų4847.1 Ų47.121%0.21126%0.255CS..THydrogen-bonded Turntrans-69.44.1179.8-68.3-80.5000115I560 C564 F568 A614 A615 P616 L619I560-F562 HydrophobicContact CG2-CD1 4.31Å; I560-F562 HydrophobicContact CG2-CE1 4.32Å; I560-F562 HydrophobicContact CG2-CG 4.49Å; I560-F562 HydrophobicContact CG2-CZ 4.48Å; I560-F562 PolarHBondContact O-N 3.07Å; F562-C564 PolarHBondContact O-N 3.26Å; F562-F568 HydrophobicContact CD1-CD2 4.38Å; F562-F568 HydrophobicContact CD1-CG 4.46Å; F562-F568 AromaticContact CE1-CD2 3.83Å; F562-F568 HydrophobicContact CE1-CD2 3.83Å; F562-F568 AromaticContact CE1-CE2 3.82Å; F562-F568 HydrophobicContact CE1-CE2 3.82Å; F562-F568 HydrophobicContact CE1-CG 4.27Å; F562-F568 HydrophobicContact CE1-CZ 4.26Å; F562-A614 WeakPolarHBondContact CE2-O 3.34Å; F562-A614 HydrophobicContact CZ-CB 3.97Å; F562-A614 WeakPolarHBondContact CZ-O 3.35Å; F562-A615 HydrophobicContact CE1-CB 4.15Å; F562-P616 HydrophobicContact CB-CG 3.81Å; F562-P616 VanDerWaalsContact CD1-CD 3.42Å; F562-P616 HydrophobicContact CD1-CG 4.3Å; F562-P616 HydrophobicContact CG-CG 4.05Å; F562-L619 HydrophobicContact CB-CD1 4.49Å; F562-L619 HydrophobicContact CD1-CD1 3.96Å
563S65.3Low71Confident72 Ų7252.5 Ų52.550%0.50328%0.275SS..THydrogen-bonded Turntrans-63.4-20.3170.257.80000113.3K523 D561 A565K523-S563 PolarHBondContact NZ-OG 2.89Å; D561-S563 PolarHBondContact O-N 3.03Å; D561-S563 WeakPolarHBondContact OD1-CB 3.49Å; D561-S563 PolarHBondContact OD1-N 3.38Å; D561-S563 PolarHBondContact OD1-OG 3.27Å; D561-S563 PolarHBondContact OD2-OG 3.06Å; S563-A565 PolarHBondContact O-N 2.87Å
564C65.4Low71.3Confident46 Ų4655.4 Ų55.431%0.31129%0.289SS..  trans-95.464.4172.5-66.90000112.3F562 N566 D567 F568F562-C564 PolarHBondContact O-N 3.26Å; C564-N566 PolarHBondContact O-N 3.42Å; C564-N566 VanDerWaalsContact O-N 3.11Å; C564-D567 HydrophobicContact CB-CB 4.29Å; C564-D567 WeakPolarHBondContact CB-OD2 3.44Å; C564-D567 PolarHBondContact O-N 2.97Å; C564-D567 VanDerWaalsContact O-N 3.14Å; C564-F568 PolarHBondContact O-N 3.22Å
565A72.8Confident71.9Confident36 Ų3650.6 Ų50.630%0.29827%0.269SS..Hα-helixtrans-52.7-35.6-17700000114.2S563 Q569 L619S563-A565 PolarHBondContact O-N 2.87Å; A565-Q569 WeakPolarHBondContact O-CG 3.47Å; A565-Q569 PolarHBondContact O-N 3.37Å; A565-Q569 VanDerWaalsContact O-N 3.11Å; A565-L619 HydrophobicContact CB-CD1 4.16Å; A565-L619 HydrophobicContact CB-CD2 4.07Å; A565-L619 HydrophobicContact CB-CG 4.41Å
566N74.3Confident72.9Confident122 Ų12247.3 Ų47.365%0.65225%0.251SS*.Hα-helixtrans-65.3-42.2-179.7-70.7-14.1000112.8C564 F568 Q569 E570C564-N566 PolarHBondContact O-N 3.42Å; C564-N566 VanDerWaalsContact O-N 3.11Å; N566-F568 VanDerWaalsContact C-N 3.35Å; N566-F568 PolarHBondContact O-N 3.43Å; N566-Q569 PolarHBondContact O-N 3.08Å; N566-E570 PolarHBondContact O-N 3.13Å
567D68.3Low73.6Confident52 Ų5249.5 Ų49.528%0.27827%0.27SS..Hα-helixtrans-67.3-39.3-178-64-38.3000110.9L530 C564 E570 F571L530-D567 HydrophobicContact CD1-CB 4.03Å; C564-D567 HydrophobicContact CB-CB 4.29Å; C564-D567 WeakPolarHBondContact CB-OD2 3.44Å; C564-D567 PolarHBondContact O-N 2.97Å; C564-D567 VanDerWaalsContact O-N 3.14Å; D567-E570 PolarHBondContact O-N 2.68Å; D567-F571 WeakPolarHBondContact O-CB 3.2Å; D567-F571 PolarHBondContact O-N 2.72Å
568F77Confident74Confident5 Ų550.8 Ų50.82%0.02228%0.275CS..Hα-helixtrans-64.4-40.7174.2-178-97.3000112.2L557 F562 C564 N566 S572 M611 A615 L619 F623L557-F568 HydrophobicContact CD2-CE2 4.36Å; F562-F568 HydrophobicContact CD1-CD2 4.38Å; F562-F568 HydrophobicContact CD1-CG 4.46Å; F562-F568 AromaticContact CE1-CD2 3.83Å; F562-F568 HydrophobicContact CE1-CD2 3.83Å; F562-F568 AromaticContact CE1-CE2 3.82Å; F562-F568 HydrophobicContact CE1-CE2 3.82Å; F562-F568 HydrophobicContact CE1-CG 4.27Å; F562-F568 HydrophobicContact CE1-CZ 4.26Å; C564-F568 PolarHBondContact O-N 3.22Å; N566-F568 VanDerWaalsContact C-N 3.35Å; N566-F568 PolarHBondContact O-N 3.43Å; F568-S572 VanDerWaalsContact O-CB 3.31Å; F568-S572 WeakPolarHBondContact O-CB 3.28Å; F568-S572 PolarHBondContact O-N 3.22Å; F568-S572 PolarHBondContact O-OG 3.24Å; F568-M611 HydrophobicContact CE2-CE 4.21Å; F568-M611 HydrophobicContact CZ-CB 4.41Å; F568-M611 HydrophobicContact CZ-CE 4.32Å; F568-A615 HydrophobicContact CE1-CB 4.08Å; F568-A615 HydrophobicContact CZ-CB 4.06Å; F568-L619 HydrophobicContact CD1-CB 4.49Å; F568-L619 HydrophobicContact CD1-CD1 4.16Å; F568-L619 HydrophobicContact CD1-CD2 4.14Å; F568-F623 HydrophobicContact CE1-CD2 4.17Å; F568-F623 HydrophobicContact CZ-CD2 4.38Å
569Q84.9Confident74.6Confident43 Ų4345.1 Ų45.120%0.20124%0.244CC..Hα-helixtrans-64.4-43.8176.3-74.6-179.2-5.400112A565 N566 S572 R573 L619 W622A565-Q569 WeakPolarHBondContact O-CG 3.47Å; A565-Q569 PolarHBondContact O-N 3.37Å; A565-Q569 VanDerWaalsContact O-N 3.11Å; N566-Q569 PolarHBondContact O-N 3.08Å; Q569-S572 PolarHBondContact O-N 2.93Å; Q569-R573 WeakPolarHBondContact O-CG 3.49Å; Q569-R573 PolarHBondContact O-N 2.97Å; Q569-L619 HydrophobicContact CG-CD2 3.89Å; Q569-W622 HydrophobicContact CB-CH2 3.83Å; Q569-W622 HydrophobicContact CB-CZ2 4.07Å; Q569-W622 HydrophobicContact CB-CZ3 4.14Å; Q569-W622 HydrophobicContact CG-CD2 3.96Å; Q569-W622 HydrophobicContact CG-CE3 3.82Å; Q569-W622 HydrophobicContact CG-CH2 3.86Å; Q569-W622 HydrophobicContact CG-CZ2 3.99Å; Q569-W622 HydrophobicContact CG-CZ3 3.78Å
570E75.4Confident75.6Confident125 Ų12546.5 Ų46.558%0.58425%0.249SC*.Hα-helixtrans-64.2-44.8178.7-169.5162.7176.500111.2N566 D567 S572 R573 I574N566-E570 PolarHBondContact O-N 3.13Å; D567-E570 PolarHBondContact O-N 2.68Å; E570-S572 PolarHBondContact O-N 3.25Å; E570-R573 PolarHBondContact O-N 2.68Å; E570-I574 WeakPolarHBondContact O-CG1 3.26Å; E570-I574 PolarHBondContact O-N 3.3Å; E570-I574 VanDerWaalsContact O-N 3.11Å
571F75.6Confident76Confident5 Ų551.8 Ų51.82%0.02228%0.277CS..Hα-helixtrans-58.6-47.3172.4176.8-112.3000112.6L530 L533 D567 R573 I574 V575 M611L530-F571 HydrophobicContact CB-CD2 4.12Å; L530-F571 HydrophobicContact CD1-CB 4.18Å; L530-F571 HydrophobicContact CD2-CB 3.86Å; L530-F571 HydrophobicContact CD2-CD1 3.89Å; L530-F571 HydrophobicContact CD2-CD2 3.59Å; L530-F571 HydrophobicContact CD2-CE1 4.3Å; L530-F571 HydrophobicContact CD2-CE2 4.04Å; L530-F571 HydrophobicContact CD2-CG 3.51Å; L530-F571 HydrophobicContact CD2-CZ 4.38Å; L530-F571 HydrophobicContact CG-CB 4.41Å; L530-F571 HydrophobicContact CG-CD2 4.39Å; L530-F571 HydrophobicContact CG-CG 4.45Å; L533-F571 HydrophobicContact CB-CE2 4.08Å; L533-F571 HydrophobicContact CD1-CE2 4.37Å; L533-F571 HydrophobicContact CD1-CZ 4.22Å; D567-F571 WeakPolarHBondContact O-CB 3.2Å; D567-F571 PolarHBondContact O-N 2.72Å; F571-R573 VanDerWaalsContact C-N 3.32Å; F571-R573 PolarHBondContact O-N 3.45Å; F571-I574 WeakPolarHBondContact O-CB 3.46Å; F571-I574 PolarHBondContact O-N 3.28Å; F571-I574 VanDerWaalsContact O-N 3.12Å; F571-V575 HydrophobicContact CD1-CG2 4.4Å; F571-V575 HydrophobicContact CD2-CG2 4.48Å; F571-V575 HydrophobicContact CE1-CG2 4.02Å; F571-V575 HydrophobicContact CE2-CG2 4.11Å; F571-V575 HydrophobicContact CZ-CG2 3.86Å; F571-V575 WeakPolarHBondContact O-CG2 3.43Å; F571-V575 PolarHBondContact O-N 3.43Å; F571-M611 HydrophobicContact CD1-CE 3.47Å; F571-M611 VanDerWaalsContact CD1-CE 3.47Å; F571-M611 HydrophobicContact CE1-CE 3.41Å; F571-M611 VanDerWaalsContact CE1-CE 3.41Å; F571-M611 HydrophobicContact CE1-SD 4.03Å
572S83.4Confident76.3Confident0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-59.9-42.3178.9-60.90000111.7F568 Q569 E570 I574 V575 F576 M611F568-S572 VanDerWaalsContact O-CB 3.31Å; F568-S572 WeakPolarHBondContact O-CB 3.28Å; F568-S572 PolarHBondContact O-N 3.22Å; F568-S572 PolarHBondContact O-OG 3.24Å; Q569-S572 PolarHBondContact O-N 2.93Å; E570-S572 PolarHBondContact O-N 3.25Å; S572-I574 VanDerWaalsContact C-N 3.31Å; S572-I574 PolarHBondContact O-N 2.84Å; S572-V575 PolarHBondContact O-N 3.45Å; S572-F576 VanDerWaalsContact O-CD1 3.25Å; S572-F576 WeakPolarHBondContact O-CD1 3.42Å; S572-F576 WeakPolarHBondContact O-CD2 3.3Å; S572-F576 WeakPolarHBondContact O-CG 3.35Å; S572-F576 PolarHBondContact O-N 2.83Å; S572-M611 WeakPolarHBondContact OG-CE 3.46Å
573R84.5Confident76.7Confident124 Ų12450 Ų5047%0.46827%0.271SS..Hα-helixtrans-60.9-38.4175.3-76179179.8126.23.5112.6Q569 E570 F571 F576 A577 W622Q569-R573 WeakPolarHBondContact O-CG 3.49Å; Q569-R573 PolarHBondContact O-N 2.97Å; E570-R573 PolarHBondContact O-N 2.68Å; F571-R573 VanDerWaalsContact C-N 3.32Å; F571-R573 PolarHBondContact O-N 3.45Å; R573-F576 PolarHBondContact O-N 2.86Å; R573-A577 WeakPolarHBondContact O-CB 3.32Å; R573-A577 PolarHBondContact O-N 3.12Å; R573-W622 HydrophobicContact CG-CH2 4.33Å; R573-W622 HydrophobicContact CG-CZ2 4.28Å
574I74.3Confident77.1Confident62 Ų6248 Ų4832%0.31826%0.262SS..Hα-helixtrans-65.6-45.6175.9-66164.1000110.5T534 E570 F571 S572 F576 A577 F578T534-I574 HydrophobicContact CG2-CG2 3.52Å; E570-I574 WeakPolarHBondContact O-CG1 3.26Å; E570-I574 PolarHBondContact O-N 3.3Å; E570-I574 VanDerWaalsContact O-N 3.11Å; F571-I574 WeakPolarHBondContact O-CB 3.46Å; F571-I574 PolarHBondContact O-N 3.28Å; F571-I574 VanDerWaalsContact O-N 3.12Å; S572-I574 VanDerWaalsContact C-N 3.31Å; S572-I574 PolarHBondContact O-N 2.84Å; I574-F576 VanDerWaalsContact C-N 3.32Å; I574-F576 PolarHBondContact O-N 2.91Å; I574-A577 PolarHBondContact O-N 3.28Å; I574-F578 WeakPolarHBondContact O-CB 3.41Å; I574-F578 PolarHBondContact O-N 3.08Å
575V79.8Confident77.1Confident3 Ų355.4 Ų55.42%0.01829%0.289CS..Hα-helixtrans-59.4-43.6175.6175.10000110.8F571 S572 F578 A579 M608 M611F571-V575 HydrophobicContact CD1-CG2 4.4Å; F571-V575 HydrophobicContact CD2-CG2 4.48Å; F571-V575 HydrophobicContact CE1-CG2 4.02Å; F571-V575 HydrophobicContact CE2-CG2 4.11Å; F571-V575 HydrophobicContact CZ-CG2 3.86Å; F571-V575 WeakPolarHBondContact O-CG2 3.43Å; F571-V575 PolarHBondContact O-N 3.43Å; S572-V575 PolarHBondContact O-N 3.45Å; V575-F578 PolarHBondContact O-N 2.83Å; V575-A579 WeakPolarHBondContact O-CB 3.41Å; V575-A579 PolarHBondContact O-N 3.23Å; V575-M608 HydrophobicContact CG1-CG 4.17Å; V575-M611 HydrophobicContact CG1-SD 4.35Å; V575-M611 HydrophobicContact CG2-CE 4.43Å; V575-M611 HydrophobicContact CG2-SD 4.36Å
576F85.5Confident76.5Confident6 Ų655.1 Ų55.13%0.02629%0.286CS..Hα-helixtrans-62.4-48.1176.3-59-18.9000112.1S572 R573 I574 F578 A579 I580 M608 W622 F623 E626 V627 L630S572-F576 VanDerWaalsContact O-CD1 3.25Å; S572-F576 WeakPolarHBondContact O-CD1 3.42Å; S572-F576 WeakPolarHBondContact O-CD2 3.3Å; S572-F576 WeakPolarHBondContact O-CG 3.35Å; S572-F576 PolarHBondContact O-N 2.83Å; R573-F576 PolarHBondContact O-N 2.86Å; I574-F576 VanDerWaalsContact C-N 3.32Å; I574-F576 PolarHBondContact O-N 2.91Å; F576-F578 VanDerWaalsContact C-N 3.29Å; F576-F578 PolarHBondContact O-N 3.49Å; F576-A579 PolarHBondContact O-N 3.31Å; F576-I580 WeakPolarHBondContact O-CD1 3.36Å; F576-I580 VanDerWaalsContact O-CG1 3.24Å; F576-I580 WeakPolarHBondContact O-CG1 3.29Å; F576-I580 PolarHBondContact O-N 3.04Å; F576-M608 HydrophobicContact CD1-CE 3.48Å; F576-M608 VanDerWaalsContact CD1-CE 3.48Å; F576-M608 HydrophobicContact CD1-SD 4.22Å; F576-M608 HydrophobicContact CE1-CE 3.35Å; F576-M608 HydrophobicContact CE1-SD 4.45Å; F576-M608 HydrophobicContact CZ-CE 4.48Å; F576-W622 HydrophobicContact CE2-CH2 4.23Å; F576-F623 HydrophobicContact CE1-CD2 4.22Å; F576-F623 AromaticContact CE1-CE1 3.9Å; F576-F623 HydrophobicContact CE1-CE1 3.9Å; F576-F623 AromaticContact CE1-CE2 3.56Å; F576-F623 HydrophobicContact CE1-CE2 3.56Å; F576-F623 AromaticContact CE1-CZ 3.4Å; F576-F623 HydrophobicContact CE1-CZ 3.4Å; F576-F623 VanDerWaalsContact CE1-CZ 3.4Å; F576-F623 HydrophobicContact CZ-CD1 4.1Å; F576-F623 AromaticContact CZ-CD2 3.63Å; F576-F623 HydrophobicContact CZ-CD2 3.63Å; F576-F623 AromaticContact CZ-CE1 3.95Å; F576-F623 HydrophobicContact CZ-CE1 3.95Å; F576-F623 AromaticContact CZ-CE2 3.46Å; F576-F623 HydrophobicContact CZ-CE2 3.46Å; F576-F623 VanDerWaalsContact CZ-CE2 3.46Å; F576-F623 AromaticContact CZ-CG 3.96Å; F576-F623 HydrophobicContact CZ-CG 3.96Å; F576-F623 AromaticContact CZ-CZ 3.65Å; F576-F623 HydrophobicContact CZ-CZ 3.65Å; F576-E626 HydrophobicContact CD2-CB 4.33Å; F576-E626 HydrophobicContact CE2-CB 3.71Å; F576-E626 HydrophobicContact CE2-CG 4.27Å; F576-E626 HydrophobicContact CZ-CB 4.49Å; F576-V627 HydrophobicContact CE1-CG2 4.15Å; F576-V627 HydrophobicContact CZ-CG2 4.14Å; F576-L630 HydrophobicContact CB-CD1 4.25Å; F576-L630 HydrophobicContact CD2-CD1 4.46Å; F576-L630 HydrophobicContact CG-CD1 4.43Å
577A80.8Confident75.7Confident48 Ų4853.1 Ų53.140%0.39728%0.275SS..Hα-helixtrans-59.5-42.7179.300000111.3R573 I574 I580 L581R573-A577 WeakPolarHBondContact O-CB 3.32Å; R573-A577 PolarHBondContact O-N 3.12Å; I574-A577 PolarHBondContact O-N 3.28Å; A577-I580 PolarHBondContact O-N 2.83Å; A577-L581 WeakPolarHBondContact O-CB 3.42Å; A577-L581 WeakPolarHBondContact O-CD1 3.27Å; A577-L581 WeakPolarHBondContact O-CG 3.5Å; A577-L581 PolarHBondContact O-N 3.13Å
578F75.7Confident75.4Confident32 Ų3251.3 Ų51.314%0.1427%0.265CS..Hα-helixtrans-63.6-48.1175.7-174.6-91.8000111.9I537 M538 I574 V575 F576 I580 L581 T582 Y604I537-F578 HydrophobicContact CG2-CD1 4.11Å; I537-F578 HydrophobicContact CG2-CE1 4.33Å; I537-F578 HydrophobicContact CG2-CG 4.38Å; M538-F578 HydrophobicContact CB-CE2 4.3Å; M538-F578 HydrophobicContact CG-CD2 3.81Å; M538-F578 HydrophobicContact CG-CE2 4Å; I574-F578 WeakPolarHBondContact O-CB 3.41Å; I574-F578 PolarHBondContact O-N 3.08Å; V575-F578 PolarHBondContact O-N 2.83Å; F576-F578 VanDerWaalsContact C-N 3.29Å; F576-F578 PolarHBondContact O-N 3.49Å; F578-I580 VanDerWaalsContact C-N 3.29Å; F578-I580 PolarHBondContact O-N 3.21Å; F578-L581 PolarHBondContact O-N 3Å; F578-T582 HydrophobicContact CE1-CG2 4.49Å; F578-T582 WeakPolarHBondContact CE1-OG1 2.97Å; F578-T582 WeakPolarHBondContact CZ-OG1 3.17Å; F578-T582 WeakPolarHBondContact O-CB 3.39Å; F578-T582 PolarHBondContact O-N 2.76Å; F578-T582 PolarHBondContact O-OG1 2.95Å; F578-Y604 AromaticContact CD1-CE1 3.59Å; F578-Y604 HydrophobicContact CD1-CE1 3.59Å; F578-Y604 AromaticContact CD1-CZ 3.74Å; F578-Y604 WeakPolarHBondContact CD1-OH 3.43Å; F578-Y604 AromaticContact CE1-CE1 3.8Å; F578-Y604 HydrophobicContact CE1-CE1 3.8Å; F578-Y604 HydrophobicContact CE1-CE2 4.22Å; F578-Y604 AromaticContact CE1-CZ 3.41Å; F578-Y604 VanDerWaalsContact CE1-CZ 3.41Å; F578-Y604 WeakPolarHBondContact CE1-OH 3.42Å
579A79.4Confident74.2Confident0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-56.7-43.4177.100000111.9V575 F576 T582 F583 L643 V647V575-A579 WeakPolarHBondContact O-CB 3.41Å; V575-A579 PolarHBondContact O-N 3.23Å; F576-A579 PolarHBondContact O-N 3.31Å; A579-T582 PolarHBondContact O-N 3.18Å; A579-F583 HydrophobicContact CB-CD2 4.37Å; A579-F583 WeakPolarHBondContact O-CB 3.44Å; A579-F583 WeakPolarHBondContact O-CD2 3.48Å; A579-F583 PolarHBondContact O-N 3.04Å; A579-L643 HydrophobicContact CB-CD1 4.11Å; A579-L643 WeakPolarHBondContact O-CD1 3.47Å; A579-V647 HydrophobicContact CB-CG1 4.04Å
580I82.6Confident72.3Confident49 Ų4962.9 Ų62.925%0.25132%0.323SS..Hα-helixtrans-63.6-46.1177.5-67.2162000111.4F576 A577 F578 T582 G584 L630 L643 F648F576-I580 WeakPolarHBondContact O-CD1 3.36Å; F576-I580 VanDerWaalsContact O-CG1 3.24Å; F576-I580 WeakPolarHBondContact O-CG1 3.29Å; F576-I580 PolarHBondContact O-N 3.04Å; A577-I580 PolarHBondContact O-N 2.83Å; F578-I580 VanDerWaalsContact C-N 3.29Å; F578-I580 PolarHBondContact O-N 3.21Å; I580-T582 VanDerWaalsContact C-N 3.33Å; I580-T582 PolarHBondContact O-N 2.98Å; I580-G584 VanDerWaalsContact O-CA 3.25Å; I580-G584 WeakPolarHBondContact O-CA 3.33Å; I580-G584 PolarHBondContact O-N 2.94Å; I580-L630 HydrophobicContact CD1-CD1 4.01Å; I580-L630 HydrophobicContact CD1-CD2 3.72Å; I580-L630 HydrophobicContact CD1-CG 4.46Å; I580-L643 HydrophobicContact CG1-CD2 4.16Å; I580-F648 HydrophobicContact CG1-CZ 4.31Å
581L75.8Confident71.1Confident138 Ų13864.7 Ų64.772%0.72334%0.337SS*.Hα-helixtrans-60.9-42.5179.1-82.4159.7000111.9A577 F578A577-L581 WeakPolarHBondContact O-CB 3.42Å; A577-L581 WeakPolarHBondContact O-CD1 3.27Å; A577-L581 WeakPolarHBondContact O-CG 3.5Å; A577-L581 PolarHBondContact O-N 3.13Å; F578-L581 PolarHBondContact O-N 3Å
582T72.8Confident69.9Low71 Ų7165.7 Ų65.744%0.43635%0.348SS..Hα-helixtrans-81.5-43.9-173.4-55.80000112.5F578 A579 I580F578-T582 HydrophobicContact CE1-CG2 4.49Å; F578-T582 WeakPolarHBondContact CE1-OG1 2.97Å; F578-T582 WeakPolarHBondContact CZ-OG1 3.17Å; F578-T582 WeakPolarHBondContact O-CB 3.39Å; F578-T582 PolarHBondContact O-N 2.76Å; F578-T582 PolarHBondContact O-OG1 2.95Å; A579-T582 PolarHBondContact O-N 3.18Å; I580-T582 VanDerWaalsContact C-N 3.33Å; I580-T582 PolarHBondContact O-N 2.98Å
583F77.9Confident68.5Low12 Ų1266.1 Ų66.15%0.05335%0.351CS..Hα-helixtrans-109.2-8.1-171-52.3-67.8000114.2A579 K585 A586 T600 A601 Y604 L643 V647A579-F583 HydrophobicContact CB-CD2 4.37Å; A579-F583 WeakPolarHBondContact O-CB 3.44Å; A579-F583 WeakPolarHBondContact O-CD2 3.48Å; A579-F583 PolarHBondContact O-N 3.04Å; F583-K585 VanDerWaalsContact C-N 3.26Å; F583-K585 PolarHBondContact O-N 3.09Å; F583-A586 PolarHBondContact O-N 2.97Å; F583-T600 HydrophobicContact CE1-CG2 4.49Å; F583-T600 HydrophobicContact CZ-CG2 4.18Å; F583-A601 HydrophobicContact CD1-CB 3.88Å; F583-A601 HydrophobicContact CE1-CB 3.75Å; F583-A601 HydrophobicContact CG-CB 4.46Å; F583-A601 HydrophobicContact CZ-CB 4.24Å; F583-Y604 HydrophobicContact CE2-CD1 4.34Å; F583-Y604 AromaticContact CE2-CD2 3.91Å; F583-Y604 HydrophobicContact CE2-CD2 3.91Å; F583-Y604 HydrophobicContact CE2-CE2 4.49Å; F583-Y604 AromaticContact CE2-CG 3.82Å; F583-Y604 HydrophobicContact CE2-CG 3.82Å; F583-Y604 AromaticContact CZ-CD2 3.83Å; F583-Y604 HydrophobicContact CZ-CD2 3.83Å; F583-Y604 HydrophobicContact CZ-CE2 4.36Å; F583-Y604 HydrophobicContact CZ-CG 4.2Å; F583-L643 HydrophobicContact CB-CB 4.05Å; F583-L643 HydrophobicContact CB-CD1 4.1Å; F583-V647 HydrophobicContact CD2-CG2 3.8Å; F583-V647 HydrophobicContact CE2-CG2 4.22Å; F583-V647 HydrophobicContact CG-CG2 4.23Å
584G73.1Confident67.3Low30 Ų3063.3 Ų63.331%0.30935%0.351SS..THydrogen-bonded Turntrans-69.1-16.3-174.800000115.6I580I580-G584 VanDerWaalsContact O-CA 3.25Å; I580-G584 WeakPolarHBondContact O-CA 3.33Å; I580-G584 PolarHBondContact O-N 2.94Å
585K65.3Low66.8Low201 Ų20168.6 Ų68.687%0.87437%0.374SS*.THydrogen-bonded Turntrans-96-9.9-179.5-67.9-178.6-179.8176.30114.4F583 L587F583-K585 VanDerWaalsContact C-N 3.26Å; F583-K585 PolarHBondContact O-N 3.09Å; K585-L587 PolarHBondContact O-N 2.88Å
586A60Low65.9Low29 Ų2970.6 Ų70.624%0.2439%0.39CS..  trans-92.698.8-172.900000111.5F583 S642F583-A586 PolarHBondContact O-N 2.97Å; A586-S642 PolarHBondContact O-N 3.46Å; A586-S642 VanDerWaalsContact O-N 3.16Å
587L57.6Low65Low80 Ų8075.3 Ų75.342%0.41941%0.413SS..BIsolated β-bridgetrans-79.8142.2164.2-72.8165.9000110.1K585 D589 Q640K585-L587 PolarHBondContact O-N 2.88Å; L587-D589 WeakPolarHBondContact CB-OD1 3.47Å; L587-D589 PolarHBondContact O-N 3.46Å; L587-Q640 CarbonylContact C-O 3.5Å; L587-Q640 WeakPolarHBondContact CA-O 3.22Å; L587-Q640 HydrophobicContact CD2-CB 3.78Å
588L61Low64.5Low14 Ų1474.5 Ų74.57%0.07340%0.403CS..  trans-76.166.4177.8-65.5167.2000110.8P593 Q640 K684 R686L588-P593 HydrophobicContact CD2-CG 3.93Å; L588-Q640 WeakPolarHBondContact CG-O 3.47Å; L588-Q640 PolarHBondContact N-O 2.63Å; L588-K684 PolarHBondContact O-NZ 2.86Å; L588-R686 HydrophobicContact CD1-CB 4.43Å; L588-R686 HydrophobicContact CD2-CB 4.33Å
589D51.8Low64.5Low103 Ų10374.7 Ų74.755%0.55141%0.408SS*.  trans-79.7172.2179.5-62.9-7.3000111.9L587 N591 G592L587-D589 WeakPolarHBondContact CB-OD1 3.47Å; L587-D589 PolarHBondContact O-N 3.46Å; D589-N591 PolarHBondContact O-N 3.47Å; D589-G592 VanDerWaalsContact O-CA 3.25Å; D589-G592 WeakPolarHBondContact O-CA 3.01Å; D589-G592 PolarHBondContact O-N 3.38Å
590E47Very low64.3Low189 Ų18975.9 Ų75.988%0.88342%0.415SS*.THydrogen-bonded Turntrans-58-28.6-174.2-73.6-172.4158.900114.8
591N48.4Very low64.1Low163 Ų16373.5 Ų73.587%0.87240%0.403SS*.THydrogen-bonded Turntrans-85.1-19.3172.4-67.8-32.2000113D589D589-N591 PolarHBondContact O-N 3.47Å
592G51.9Low64.3Low26 Ų2668.3 Ų68.327%0.26838%0.376SS..  trans58.3160.5173.800000116.4D589 R686D589-G592 VanDerWaalsContact O-CA 3.25Å; D589-G592 WeakPolarHBondContact O-CA 3.01Å; D589-G592 PolarHBondContact O-N 3.38Å; G592-R686 VanDerWaalsContact CA-NH1 3.32Å
593P53.9Low64.6Low9 Ų965.4 Ų65.46%0.05836%0.359CS..SBendtrans-56.7147.5162.222.9-32.1000109.7L588 Q597 V598 R686L588-P593 HydrophobicContact CD2-CG 3.93Å; P593-Q597 HydrophobicContact CB-CB 3.89Å; P593-Q597 VanDerWaalsContact CB-OE1 3.29Å; P593-V598 HydrophobicContact CB-CG2 4.27Å; P593-V598 HydrophobicContact CG-CG2 3.8Å; P593-R686 PolarHBondContact O-NH1 2.9Å
594S57.8Low64.7Low65 Ų6565.2 Ų65.246%0.45536%0.358SS..  trans-58152.4174.7700000110A596 Q597 V598S594-A596 PolarHBondContact O-N 3.5Å; S594-A596 VanDerWaalsContact O-N 3.16Å; S594-Q597 WeakPolarHBondContact O-CA 3.23Å; S594-Q597 WeakPolarHBondContact O-CB 3.36Å; S594-Q597 PolarHBondContact O-N 3.44Å; S594-Q597 PolarHBondContact OG-N 2.98Å; S594-V598 PolarHBondContact O-N 3.12Å
595E64Low65.4Low173 Ų17363.8 Ų63.881%0.80834%0.344SS*.Hα-helixtrans-53.4-37.7179.3-159167-160.500111.8Q597 V598 S599E595-Q597 PolarHBondContact O-N 2.85Å; E595-V598 PolarHBondContact O-N 3.3Å; E595-S599 PolarHBondContact O-N 3.44Å
596A61Low66.3Low44 Ų4457.7 Ų57.736%0.36432%0.317SS..Hα-helixtrans-62-37.6173.300000114.1E543 S594 T600E543-A596 WeakPolarHBondContact OE2-CA 3.38Å; S594-A596 PolarHBondContact O-N 3.5Å; S594-A596 VanDerWaalsContact O-N 3.16Å; A596-T600 WeakPolarHBondContact O-CB 3.35Å; A596-T600 PolarHBondContact O-N 2.85Å; A596-T600 PolarHBondContact O-OG1 3Å
597Q66.5Low67.4Low106 Ų10656.6 Ų56.650%0.49531%0.307SS..Hα-helixtrans-69.4-34.5175.8-80.4-177.4-2100112.2P593 S594 E595 A601P593-Q597 HydrophobicContact CB-CB 3.89Å; P593-Q597 VanDerWaalsContact CB-OE1 3.29Å; S594-Q597 WeakPolarHBondContact O-CA 3.23Å; S594-Q597 WeakPolarHBondContact O-CB 3.36Å; S594-Q597 PolarHBondContact O-N 3.44Å; S594-Q597 PolarHBondContact OG-N 2.98Å; E595-Q597 PolarHBondContact O-N 2.85Å; Q597-A601 WeakPolarHBondContact O-CB 3.47Å; Q597-A601 PolarHBondContact O-N 3.27Å
598V71.8Confident68.8Low30 Ų3052.8 Ų52.818%0.18229%0.287CS..Hα-helixtrans-69.9-47176178.70000110.4P593 S594 E595 T600 A601 D602P593-V598 HydrophobicContact CB-CG2 4.27Å; P593-V598 HydrophobicContact CG-CG2 3.8Å; S594-V598 PolarHBondContact O-N 3.12Å; E595-V598 PolarHBondContact O-N 3.3Å; V598-T600 VanDerWaalsContact C-N 3.31Å; V598-T600 PolarHBondContact O-N 2.9Å; V598-A601 PolarHBondContact O-N 2.65Å; V598-D602 PolarHBondContact O-N 3.1Å
599S74.6Confident70.2Confident37 Ų3752.2 Ų52.226%0.25928%0.284SS..Hα-helixtrans-58.9-43.3176.4-176.60000111.9E543 E595 A601 D602 A603E543-S599 VanDerWaalsContact CD-CB 3.48Å; E543-S599 WeakPolarHBondContact OE1-CB 3.31Å; E543-S599 PolarHBondContact OE1-OG 3.33Å; E595-S599 PolarHBondContact O-N 3.44Å; S599-A601 PolarHBondContact O-N 2.9Å; S599-D602 WeakPolarHBondContact O-CB 3.43Å; S599-D602 PolarHBondContact O-N 3.02Å; S599-A603 WeakPolarHBondContact O-CB 3.02Å; S599-A603 PolarHBondContact O-N 2.83Å
600T74.8Confident71.8Confident24 Ų2448.7 Ų48.715%0.14727%0.265CS..Hα-helixtrans-63.5-42.8176.2-53.30000111.8C546 F583 A596 V598 D602 A603 Y604C546-T600 HydrophobicContact CB-CG2 4.41Å; F583-T600 HydrophobicContact CE1-CG2 4.49Å; F583-T600 HydrophobicContact CZ-CG2 4.18Å; A596-T600 WeakPolarHBondContact O-CB 3.35Å; A596-T600 PolarHBondContact O-N 2.85Å; A596-T600 PolarHBondContact O-OG1 3Å; V598-T600 VanDerWaalsContact C-N 3.31Å; V598-T600 PolarHBondContact O-N 2.9Å; T600-D602 VanDerWaalsContact C-N 3.34Å; T600-D602 PolarHBondContact O-N 3.18Å; T600-A603 PolarHBondContact O-N 3.17Å; T600-Y604 HydrophobicContact CG2-CD2 4.27Å; T600-Y604 HydrophobicContact CG2-CE2 4.3Å; T600-Y604 WeakPolarHBondContact O-CD2 3.4Å; T600-Y604 PolarHBondContact O-N 3.09Å; T600-Y604 VanDerWaalsContact O-N 3.12Å
601A79.6Confident73.6Confident0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-63-40.2176.600000111.9F583 Q597 V598 S599 A603 Y604 G605 N646 V647F583-A601 HydrophobicContact CD1-CB 3.88Å; F583-A601 HydrophobicContact CE1-CB 3.75Å; F583-A601 HydrophobicContact CG-CB 4.46Å; F583-A601 HydrophobicContact CZ-CB 4.24Å; Q597-A601 WeakPolarHBondContact O-CB 3.47Å; Q597-A601 PolarHBondContact O-N 3.27Å; V598-A601 PolarHBondContact O-N 2.65Å; S599-A601 PolarHBondContact O-N 2.9Å; A601-A603 VanDerWaalsContact C-N 3.32Å; A601-A603 PolarHBondContact O-N 2.91Å; A601-Y604 PolarHBondContact O-N 3.43Å; A601-G605 PolarHBondContact O-N 3.35Å; A601-N646 HydrophobicContact CB-CB 3.64Å; A601-V647 HydrophobicContact CB-CG2 4.2Å
602D80.2Confident75.6Confident28 Ų2832.1 Ų32.115%0.1518%0.183CC..Hα-helixtrans-61.7-41175.5-82.61.5000112.4V598 S599 T600 Y604 G605 K606 N646 R688 N782V598-D602 PolarHBondContact O-N 3.1Å; S599-D602 WeakPolarHBondContact O-CB 3.43Å; S599-D602 PolarHBondContact O-N 3.02Å; T600-D602 VanDerWaalsContact C-N 3.34Å; T600-D602 PolarHBondContact O-N 3.18Å; D602-Y604 VanDerWaalsContact C-N 3.33Å; D602-Y604 PolarHBondContact O-N 2.85Å; D602-G605 PolarHBondContact O-N 3.05Å; D602-K606 PolarHBondContact O-N 3.13Å; D602-N646 WeakPolarHBondContact OD1-CB 3.25Å; D602-N646 PolarHBondContact OD1-OD1 2.87Å; D602-R688 VanDerWaalsContact CG-NH1 3.32Å; D602-R688 IonicContact OD1-CZ 3.8Å; D602-R688 IonicContact OD1-NH1 2.87Å; D602-R688 PolarHBondContact OD1-NH1 2.9Å; D602-R688 IonicContact OD1-NH2 3.87Å; D602-R688 IonicContact OD2-CZ 2.8Å; D602-R688 IonicContact OD2-NH1 3.49Å; D602-R688 PolarHBondContact OD2-NH1 3.46Å; D602-R688 IonicContact OD2-NH2 3.54Å; D602-R688 PolarHBondContact OD2-NH2 3.48Å; D602-N782 PolarHBondContact O-ND2 2.94Å
603A77.6Confident77.3Confident10 Ų1033.5 Ų33.58%0.08318%0.183CC..Hα-helixtrans-64.4-39.4178.600000111.2M547 L550 S599 T600 A601 K606 L607M547-A603 HydrophobicContact SD-CB 4.08Å; L550-A603 HydrophobicContact CD1-CB 3.23Å; S599-A603 WeakPolarHBondContact O-CB 3.02Å; S599-A603 PolarHBondContact O-N 2.83Å; T600-A603 PolarHBondContact O-N 3.17Å; A601-A603 VanDerWaalsContact C-N 3.32Å; A601-A603 PolarHBondContact O-N 2.91Å; A603-K606 PolarHBondContact O-N 3.16Å; A603-L607 PolarHBondContact O-N 3.45Å; A603-L607 VanDerWaalsContact O-N 3.08Å
604Y81.2Confident78.6Confident9 Ų934.6 Ų34.64%0.03519%0.194CC..Hα-helixtrans-67.2-41.2170.8-92.2-93.4000113.1I537 F578 F583 T600 A601 D602 K606 L607 M608I537-Y604 HydrophobicContact CG2-CE1 3.88Å; I537-Y604 WeakPolarHBondContact CG2-OH 3.47Å; I537-Y604 PolarHBondContact O-OH 3.28Å; F578-Y604 AromaticContact CD1-CE1 3.59Å; F578-Y604 HydrophobicContact CD1-CE1 3.59Å; F578-Y604 AromaticContact CD1-CZ 3.74Å; F578-Y604 WeakPolarHBondContact CD1-OH 3.43Å; F578-Y604 AromaticContact CE1-CE1 3.8Å; F578-Y604 HydrophobicContact CE1-CE1 3.8Å; F578-Y604 HydrophobicContact CE1-CE2 4.22Å; F578-Y604 AromaticContact CE1-CZ 3.41Å; F578-Y604 VanDerWaalsContact CE1-CZ 3.41Å; F578-Y604 WeakPolarHBondContact CE1-OH 3.42Å; F583-Y604 HydrophobicContact CE2-CD1 4.34Å; F583-Y604 AromaticContact CE2-CD2 3.91Å; F583-Y604 HydrophobicContact CE2-CD2 3.91Å; F583-Y604 HydrophobicContact CE2-CE2 4.49Å; F583-Y604 AromaticContact CE2-CG 3.82Å; F583-Y604 HydrophobicContact CE2-CG 3.82Å; F583-Y604 AromaticContact CZ-CD2 3.83Å; F583-Y604 HydrophobicContact CZ-CD2 3.83Å; F583-Y604 HydrophobicContact CZ-CE2 4.36Å; F583-Y604 HydrophobicContact CZ-CG 4.2Å; T600-Y604 HydrophobicContact CG2-CD2 4.27Å; T600-Y604 HydrophobicContact CG2-CE2 4.3Å; T600-Y604 WeakPolarHBondContact O-CD2 3.4Å; T600-Y604 PolarHBondContact O-N 3.09Å; T600-Y604 VanDerWaalsContact O-N 3.12Å; A601-Y604 PolarHBondContact O-N 3.43Å; D602-Y604 VanDerWaalsContact C-N 3.33Å; D602-Y604 PolarHBondContact O-N 2.85Å; Y604-K606 VanDerWaalsContact C-N 3.27Å; Y604-K606 PolarHBondContact O-N 3.46Å; Y604-L607 WeakPolarHBondContact O-CB 3.4Å; Y604-L607 PolarHBondContact O-N 3.36Å; Y604-M608 PolarHBondContact O-N 2.61Å
605G87.1Confident79.8Confident0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-60.2-39.9174.200000112.3A601 D602 M608 Q609 N646 P650A601-G605 PolarHBondContact O-N 3.35Å; D602-G605 PolarHBondContact O-N 3.05Å; G605-M608 PolarHBondContact O-N 3.4Å; G605-Q609 WeakPolarHBondContact O-CB 3.45Å; G605-Q609 PolarHBondContact O-N 2.96Å; G605-N646 VanDerWaalsContact CA-O 3.3Å; G605-N646 WeakPolarHBondContact CA-O 3.44Å; G605-P650 WeakPolarHBondContact O-CB 3.33Å
606K84.8Confident80.7Confident72 Ų7226.5 Ų26.531%0.31316%0.155SC..Hα-helixtrans-63.4-44.1174.9-171.747.5176.4153.50111.7D602 A603 Y604 M608 Q609 D610 N782D602-K606 PolarHBondContact O-N 3.13Å; A603-K606 PolarHBondContact O-N 3.16Å; Y604-K606 VanDerWaalsContact C-N 3.27Å; Y604-K606 PolarHBondContact O-N 3.46Å; K606-M608 PolarHBondContact O-N 3.13Å; K606-Q609 PolarHBondContact O-N 3.24Å; K606-D610 VanDerWaalsContact CE-OD1 3.3Å; K606-D610 WeakPolarHBondContact CE-OD1 2.77Å; K606-D610 IonicContact NZ-OD1 3.44Å; K606-D610 PolarHBondContact NZ-OD1 3.19Å; K606-D610 WeakPolarHBondContact O-CB 3.45Å; K606-D610 PolarHBondContact O-N 2.78Å; K606-N782 WeakPolarHBondContact CB-OD1 3.36Å
607L82.5Confident81.8Confident6 Ų628.4 Ų28.43%0.03116%0.163CC..Hα-helixtrans-56.9-50.1174.1172.459000111.8I537 L550 V553 L557 A603 Y604 Q609 D610 M611I537-L607 HydrophobicContact CD1-CD2 4.4Å; L550-L607 HydrophobicContact CD2-CB 3.64Å; L550-L607 HydrophobicContact CD2-CD2 4.03Å; L550-L607 HydrophobicContact CD2-CG 4.27Å; V553-L607 HydrophobicContact CB-CD1 3.96Å; V553-L607 HydrophobicContact CG1-CD1 3.26Å; V553-L607 HydrophobicContact CG1-CD2 4.4Å; V553-L607 HydrophobicContact CG1-CG 4.46Å; L557-L607 HydrophobicContact CD1-CD1 3.92Å; A603-L607 PolarHBondContact O-N 3.45Å; A603-L607 VanDerWaalsContact O-N 3.08Å; Y604-L607 WeakPolarHBondContact O-CB 3.4Å; Y604-L607 PolarHBondContact O-N 3.36Å; L607-Q609 VanDerWaalsContact C-N 3.3Å; L607-Q609 PolarHBondContact O-N 3.33Å; L607-D610 PolarHBondContact O-N 3.29Å; L607-M611 HydrophobicContact CD1-CG 4.03Å; L607-M611 HydrophobicContact CD1-SD 4.15Å; L607-M611 HydrophobicContact CG-CG 4.42Å; L607-M611 HydrophobicContact CG-SD 4.07Å; L607-M611 VanDerWaalsContact O-CG 3.27Å; L607-M611 WeakPolarHBondContact O-CG 3.43Å; L607-M611 PolarHBondContact O-N 3.25Å
608M87.9Confident82.6Confident0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-63.2-37.9-179.5-72.1-170.754.500112.1V575 F576 Y604 G605 K606 M611 F612 F623 V627 V647 F648 V651V575-M608 HydrophobicContact CG1-CG 4.17Å; F576-M608 HydrophobicContact CD1-CE 3.48Å; F576-M608 VanDerWaalsContact CD1-CE 3.48Å; F576-M608 HydrophobicContact CD1-SD 4.22Å; F576-M608 HydrophobicContact CE1-CE 3.35Å; F576-M608 HydrophobicContact CE1-SD 4.45Å; F576-M608 HydrophobicContact CZ-CE 4.48Å; Y604-M608 PolarHBondContact O-N 2.61Å; G605-M608 PolarHBondContact O-N 3.4Å; K606-M608 PolarHBondContact O-N 3.13Å; M608-M611 PolarHBondContact O-N 2.82Å; M608-F612 WeakPolarHBondContact O-CB 3.35Å; M608-F612 PolarHBondContact O-N 2.98Å; M608-F623 HydrophobicContact CB-CZ 4.32Å; M608-F623 HydrophobicContact CE-CE1 4.23Å; M608-F623 HydrophobicContact CE-CZ 4.22Å; M608-V627 HydrophobicContact CE-CG2 3.67Å; M608-V647 HydrophobicContact CG-CG1 4.48Å; M608-V647 HydrophobicContact SD-CG1 3.38Å; M608-V647 WeakPolarHBondContact SD-CG1 3.21Å; M608-F648 HydrophobicContact CE-CD1 4.05Å; M608-F648 HydrophobicContact CE-CE1 4.23Å; M608-V651 HydrophobicContact CB-CG2 3.66Å; M608-V651 HydrophobicContact CE-CG2 4.2Å
609Q90.4Very high83.4Confident2 Ų226.5 Ų26.51%0.00916%0.162CC..Hα-helixtrans-62.6-46173-177.3-17680.800111.5G605 K606 L607 M611 F612 L613 P650 A654 N782G605-Q609 WeakPolarHBondContact O-CB 3.45Å; G605-Q609 PolarHBondContact O-N 2.96Å; K606-Q609 PolarHBondContact O-N 3.24Å; L607-Q609 VanDerWaalsContact C-N 3.3Å; L607-Q609 PolarHBondContact O-N 3.33Å; Q609-M611 PolarHBondContact O-N 3.38Å; Q609-F612 PolarHBondContact O-N 3.19Å; Q609-L613 HydrophobicContact CG-CD1 3.9Å; Q609-L613 HydrophobicContact CG-CG 4.46Å; Q609-L613 WeakPolarHBondContact O-CB 3.45Å; Q609-L613 VanDerWaalsContact O-CG 3.22Å; Q609-L613 WeakPolarHBondContact O-CG 3.32Å; Q609-L613 PolarHBondContact O-N 2.91Å; Q609-P650 HydrophobicContact CB-CB 4.09Å; Q609-P650 WeakPolarHBondContact CG-O 3.47Å; Q609-P650 PolarHBondContact NE2-O 3.05Å; Q609-A654 HydrophobicContact CG-CB 4Å; Q609-N782 PolarHBondContact NE2-O 3Å
610D84.3Confident84.1Confident29 Ų2925.2 Ų25.216%0.15515%0.153CC..Hα-helixtrans-65.3-38.3178.8-72.9-4.7000111.5L557 K606 L607 L613 A614L557-D610 HydrophobicContact CD1-CB 4.45Å; K606-D610 VanDerWaalsContact CE-OD1 3.3Å; K606-D610 WeakPolarHBondContact CE-OD1 2.77Å; K606-D610 IonicContact NZ-OD1 3.44Å; K606-D610 PolarHBondContact NZ-OD1 3.19Å; K606-D610 WeakPolarHBondContact O-CB 3.45Å; K606-D610 PolarHBondContact O-N 2.78Å; L607-D610 PolarHBondContact O-N 3.29Å; D610-L613 PolarHBondContact O-N 3.05Å; D610-A614 WeakPolarHBondContact O-CB 3.09Å; D610-A614 PolarHBondContact O-N 3.39Å
611M86.2Confident84.7Confident0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-60.8-45.3172.5-71178.170.800112.3L557 F568 F571 S572 V575 L607 M608 Q609 A615 F623L557-M611 HydrophobicContact CD1-CB 4.46Å; L557-M611 HydrophobicContact CD1-CG 3.59Å; L557-M611 HydrophobicContact CD2-CB 4.48Å; L557-M611 HydrophobicContact CD2-CG 3.74Å; L557-M611 HydrophobicContact CG-CG 4.33Å; F568-M611 HydrophobicContact CE2-CE 4.21Å; F568-M611 HydrophobicContact CZ-CB 4.41Å; F568-M611 HydrophobicContact CZ-CE 4.32Å; F571-M611 HydrophobicContact CD1-CE 3.47Å; F571-M611 VanDerWaalsContact CD1-CE 3.47Å; F571-M611 HydrophobicContact CE1-CE 3.41Å; F571-M611 VanDerWaalsContact CE1-CE 3.41Å; F571-M611 HydrophobicContact CE1-SD 4.03Å; S572-M611 WeakPolarHBondContact OG-CE 3.46Å; V575-M611 HydrophobicContact CG1-SD 4.35Å; V575-M611 HydrophobicContact CG2-CE 4.43Å; V575-M611 HydrophobicContact CG2-SD 4.36Å; L607-M611 HydrophobicContact CD1-CG 4.03Å; L607-M611 HydrophobicContact CD1-SD 4.15Å; L607-M611 HydrophobicContact CG-CG 4.42Å; L607-M611 HydrophobicContact CG-SD 4.07Å; L607-M611 VanDerWaalsContact O-CG 3.27Å; L607-M611 WeakPolarHBondContact O-CG 3.43Å; L607-M611 PolarHBondContact O-N 3.25Å; M608-M611 PolarHBondContact O-N 2.82Å; Q609-M611 PolarHBondContact O-N 3.38Å; M611-A615 PolarHBondContact O-N 3.05Å; M611-F623 HydrophobicContact CB-CE2 4.02Å; M611-F623 HydrophobicContact CB-CZ 4.04Å; M611-F623 HydrophobicContact CE-CE2 4.02Å
612F89.8Confident85.3Confident5 Ų532 Ų322%0.02218%0.176CC..Hα-helixtrans-62.8-42.8176.7168.6-101.8000111.8M608 Q609 A615 S620 F623 L624 V651 A654M608-F612 WeakPolarHBondContact O-CB 3.35Å; M608-F612 PolarHBondContact O-N 2.98Å; Q609-F612 PolarHBondContact O-N 3.19Å; F612-A615 PolarHBondContact O-N 3.29Å; F612-S620 WeakPolarHBondContact CE2-O 3.24Å; F612-F623 HydrophobicContact CB-CD1 4.02Å; F612-F623 HydrophobicContact CB-CE1 4.04Å; F612-F623 HydrophobicContact CD2-CD1 4.24Å; F612-L624 HydrophobicContact CD2-CB 4.45Å; F612-L624 HydrophobicContact CE2-CB 3.96Å; F612-V651 HydrophobicContact CB-CG1 4.01Å; F612-V651 HydrophobicContact CD1-CG1 4.44Å; F612-V651 HydrophobicContact CD2-CG1 4.13Å; F612-V651 HydrophobicContact CG-CG1 3.93Å; F612-A654 HydrophobicContact CD1-CB 3.84Å; F612-A654 HydrophobicContact CE1-CB 3.85Å
613L87Confident85.9Confident54 Ų5430.7 Ų30.728%0.28317%0.169SC..Hα-helixtrans-70.7-31.2-178.8-71.5170.7000113.5Q609 D610 A654Q609-L613 HydrophobicContact CG-CD1 3.9Å; Q609-L613 HydrophobicContact CG-CG 4.46Å; Q609-L613 WeakPolarHBondContact O-CB 3.45Å; Q609-L613 VanDerWaalsContact O-CG 3.22Å; Q609-L613 WeakPolarHBondContact O-CG 3.32Å; Q609-L613 PolarHBondContact O-N 2.91Å; D610-L613 PolarHBondContact O-N 3.05Å; L613-A654 HydrophobicContact CD2-CB 4.03Å; L613-A654 HydrophobicContact CG-CB 4.31Å
614A81.3Confident86.6Confident33 Ų3330.2 Ų30.227%0.27317%0.165SC..Hα-helixtrans-76.6-28177.900000112.8F562 D610F562-A614 WeakPolarHBondContact CE2-O 3.34Å; F562-A614 HydrophobicContact CZ-CB 3.97Å; F562-A614 WeakPolarHBondContact CZ-O 3.35Å; D610-A614 WeakPolarHBondContact O-CB 3.09Å; D610-A614 PolarHBondContact O-N 3.39Å
615A83.3Confident87.2Confident12 Ų1233.8 Ų33.810%0.09918%0.184CC..SBendtrans-71.1142.5-174.400000113.1F562 F568 M611 F612 L619F562-A615 HydrophobicContact CE1-CB 4.15Å; F568-A615 HydrophobicContact CE1-CB 4.08Å; F568-A615 HydrophobicContact CZ-CB 4.06Å; M611-A615 PolarHBondContact O-N 3.05Å; F612-A615 PolarHBondContact O-N 3.29Å; A615-L619 HydrophobicContact CB-CB 4.01Å
616P83.7Confident87.5Confident55 Ų5537 Ų3736%0.35720%0.199SC..  trans-65158170.527.6-34000111F562 S618 L619 S620F562-P616 HydrophobicContact CB-CG 3.81Å; F562-P616 VanDerWaalsContact CD1-CD 3.42Å; F562-P616 HydrophobicContact CD1-CG 4.3Å; F562-P616 HydrophobicContact CG-CG 4.05Å; P616-S618 VanDerWaalsContact C-N 3.27Å; P616-S618 PolarHBondContact O-N 2.88Å; P616-L619 HydrophobicContact CG-CB 4.34Å; P616-L619 HydrophobicContact CG-CD1 3.94Å; P616-L619 HydrophobicContact CG-CG 4.47Å; P616-L619 PolarHBondContact O-N 2.94Å; P616-S620 PolarHBondContact O-N 3.44Å
617T83.3Confident87.9Confident85 Ų8533.6 Ų33.652%0.52118%0.184SC..Hα-helixtrans-52-34.9-167-45.80000115.5S620 R621T617-S620 WeakPolarHBondContact CA-OG 3.42Å; T617-S620 PolarHBondContact O-OG 3.23Å; T617-S620 VanDerWaalsContact O-OG 3.09Å; T617-R621 WeakPolarHBondContact O-CG 3.3Å; T617-R621 PolarHBondContact O-N 2.87Å
618S84.1Confident88.4Confident90 Ų9033.5 Ų33.563%0.62918%0.184SC*.Hα-helixtrans-69.4-42.5177.953.40000112.4P616 W622P616-S618 VanDerWaalsContact C-N 3.27Å; P616-S618 PolarHBondContact O-N 2.88Å; S618-W622 PolarHBondContact O-N 2.93Å
619L87.3Confident88.5Confident6 Ų635.8 Ų35.83%0.03121%0.208CC..Hα-helixtrans-74.5-38.3178.2-78.9170.8000111.6F562 A565 F568 Q569 A615 P616 R621 W622 F623F562-L619 HydrophobicContact CB-CD1 4.49Å; F562-L619 HydrophobicContact CD1-CD1 3.96Å; A565-L619 HydrophobicContact CB-CD1 4.16Å; A565-L619 HydrophobicContact CB-CD2 4.07Å; A565-L619 HydrophobicContact CB-CG 4.41Å; F568-L619 HydrophobicContact CD1-CB 4.49Å; F568-L619 HydrophobicContact CD1-CD1 4.16Å; F568-L619 HydrophobicContact CD1-CD2 4.14Å; Q569-L619 HydrophobicContact CG-CD2 3.89Å; A615-L619 HydrophobicContact CB-CB 4.01Å; P616-L619 HydrophobicContact CG-CB 4.34Å; P616-L619 HydrophobicContact CG-CD1 3.94Å; P616-L619 HydrophobicContact CG-CG 4.47Å; P616-L619 PolarHBondContact O-N 2.94Å; L619-R621 PolarHBondContact O-N 3.48Å; L619-W622 PolarHBondContact O-N 3.29Å; L619-F623 VanDerWaalsContact O-CB 3.31Å; L619-F623 WeakPolarHBondContact O-CB 3.02Å; L619-F623 PolarHBondContact O-N 3.4Å
620S88.6Confident88.5Confident10 Ų1037.9 Ų37.97%0.0722%0.219CC..Hα-helixtrans-62.6-41.6177.371.10000111.6F612 P616 T617 F623 L624F612-S620 WeakPolarHBondContact CE2-O 3.24Å; P616-S620 PolarHBondContact O-N 3.44Å; T617-S620 WeakPolarHBondContact CA-OG 3.42Å; T617-S620 PolarHBondContact O-OG 3.23Å; T617-S620 VanDerWaalsContact O-OG 3.09Å; S620-F623 WeakPolarHBondContact O-CB 3.07Å; S620-F623 PolarHBondContact O-N 3.34Å; S620-L624 WeakPolarHBondContact O-CB 3.44Å; S620-L624 PolarHBondContact O-N 3.45Å
621R88.6Confident88.8Confident129 Ų12936.5 Ų36.549%0.48721%0.211SC..Hα-helixtrans-63.3-44.4173.7-76-175.1-157.8151.15.2112.7T617 L619 F623 L624 N625T617-R621 WeakPolarHBondContact O-CG 3.3Å; T617-R621 PolarHBondContact O-N 2.87Å; L619-R621 PolarHBondContact O-N 3.48Å; R621-F623 VanDerWaalsContact C-N 3.33Å; R621-L624 PolarHBondContact O-N 3.21Å; R621-N625 WeakPolarHBondContact O-CB 3.45Å; R621-N625 PolarHBondContact O-N 3.39Å; R621-N625 PolarHBondContact O-ND2 3.31Å; R621-N625 PolarHBondContact O-OD1 2.81Å
622W91.9Very high88.9Confident38 Ų3838.6 Ų38.614%0.14423%0.229CC..Hα-helixtrans-58.2-48.4174.5167.476.9000110.8Q569 R573 F576 S618 L619 L624 N625 E626Q569-W622 HydrophobicContact CB-CH2 3.83Å; Q569-W622 HydrophobicContact CB-CZ2 4.07Å; Q569-W622 HydrophobicContact CB-CZ3 4.14Å; Q569-W622 HydrophobicContact CG-CD2 3.96Å; Q569-W622 HydrophobicContact CG-CE3 3.82Å; Q569-W622 HydrophobicContact CG-CH2 3.86Å; Q569-W622 HydrophobicContact CG-CZ2 3.99Å; Q569-W622 HydrophobicContact CG-CZ3 3.78Å; R573-W622 HydrophobicContact CG-CH2 4.33Å; R573-W622 HydrophobicContact CG-CZ2 4.28Å; F576-W622 HydrophobicContact CE2-CH2 4.23Å; S618-W622 PolarHBondContact O-N 2.93Å; L619-W622 PolarHBondContact O-N 3.29Å; W622-L624 VanDerWaalsContact C-N 3.35Å; W622-L624 PolarHBondContact O-N 3.33Å; W622-N625 WeakPolarHBondContact O-CB 3.43Å; W622-N625 PolarHBondContact O-N 2.93Å; W622-E626 HydrophobicContact CD2-CG 4.29Å; W622-E626 HydrophobicContact CH2-CG 4.4Å; W622-E626 HydrophobicContact CZ2-CG 3.71Å; W622-E626 PolarHBondContact NE1-OE1 2.9Å; W622-E626 WeakPolarHBondContact O-CG 3.46Å; W622-E626 PolarHBondContact O-N 3.11Å
623F92.7Very high88.7Confident0 Ų041.9 Ų41.90%026%0.264CS..Hα-helixtrans-58.6-46.4-179.8-170.1-76.1000111.3F568 F576 M608 M611 F612 L619 S620 R621 E626 V627 V651F568-F623 HydrophobicContact CE1-CD2 4.17Å; F568-F623 HydrophobicContact CZ-CD2 4.38Å; F576-F623 HydrophobicContact CE1-CD2 4.22Å; F576-F623 AromaticContact CE1-CE1 3.9Å; F576-F623 HydrophobicContact CE1-CE1 3.9Å; F576-F623 AromaticContact CE1-CE2 3.56Å; F576-F623 HydrophobicContact CE1-CE2 3.56Å; F576-F623 AromaticContact CE1-CZ 3.4Å; F576-F623 HydrophobicContact CE1-CZ 3.4Å; F576-F623 VanDerWaalsContact CE1-CZ 3.4Å; F576-F623 HydrophobicContact CZ-CD1 4.1Å; F576-F623 AromaticContact CZ-CD2 3.63Å; F576-F623 HydrophobicContact CZ-CD2 3.63Å; F576-F623 AromaticContact CZ-CE1 3.95Å; F576-F623 HydrophobicContact CZ-CE1 3.95Å; F576-F623 AromaticContact CZ-CE2 3.46Å; F576-F623 HydrophobicContact CZ-CE2 3.46Å; F576-F623 VanDerWaalsContact CZ-CE2 3.46Å; F576-F623 AromaticContact CZ-CG 3.96Å; F576-F623 HydrophobicContact CZ-CG 3.96Å; F576-F623 AromaticContact CZ-CZ 3.65Å; F576-F623 HydrophobicContact CZ-CZ 3.65Å; M608-F623 HydrophobicContact CB-CZ 4.32Å; M608-F623 HydrophobicContact CE-CE1 4.23Å; M608-F623 HydrophobicContact CE-CZ 4.22Å; M611-F623 HydrophobicContact CB-CE2 4.02Å; M611-F623 HydrophobicContact CB-CZ 4.04Å; M611-F623 HydrophobicContact CE-CE2 4.02Å; F612-F623 HydrophobicContact CB-CD1 4.02Å; F612-F623 HydrophobicContact CB-CE1 4.04Å; F612-F623 HydrophobicContact CD2-CD1 4.24Å; L619-F623 VanDerWaalsContact O-CB 3.31Å; L619-F623 WeakPolarHBondContact O-CB 3.02Å; L619-F623 PolarHBondContact O-N 3.4Å; S620-F623 WeakPolarHBondContact O-CB 3.07Å; S620-F623 PolarHBondContact O-N 3.34Å; R621-F623 VanDerWaalsContact C-N 3.33Å; F623-E626 PolarHBondContact O-N 2.92Å; F623-V627 HydrophobicContact CD1-CG2 4.05Å; F623-V627 HydrophobicContact CE1-CG2 3.91Å; F623-V627 WeakPolarHBondContact O-CG2 3.28Å; F623-V627 PolarHBondContact O-N 3.4Å; F623-V627 VanDerWaalsContact O-N 3.07Å; F623-V651 HydrophobicContact CD1-CG1 4.08Å; F623-V651 HydrophobicContact CE1-CG1 4Å; F623-V651 HydrophobicContact CE1-CG2 4.04Å
624L93.4Very high88.7Confident0 Ų042.3 Ų42.30%026%0.262CS..Hα-helixtrans-63.8-41.2177.2-176.664.6000112.2F612 S620 R621 W622 E626 V627 I628 V651 A655 D659 L660F612-L624 HydrophobicContact CD2-CB 4.45Å; F612-L624 HydrophobicContact CE2-CB 3.96Å; S620-L624 WeakPolarHBondContact O-CB 3.44Å; S620-L624 PolarHBondContact O-N 3.45Å; R621-L624 PolarHBondContact O-N 3.21Å; W622-L624 VanDerWaalsContact C-N 3.35Å; W622-L624 PolarHBondContact O-N 3.33Å; L624-E626 VanDerWaalsContact C-N 3.33Å; L624-E626 PolarHBondContact O-N 2.92Å; L624-V627 PolarHBondContact O-N 2.89Å; L624-I628 HydrophobicContact CD1-CD1 3.82Å; L624-I628 HydrophobicContact CD1-CG1 4.09Å; L624-I628 HydrophobicContact CD2-CD1 4.31Å; L624-I628 HydrophobicContact CG-CD1 3.76Å; L624-I628 HydrophobicContact CG-CG1 4.33Å; L624-I628 WeakPolarHBondContact O-CB 3.24Å; L624-I628 WeakPolarHBondContact O-CG1 3.27Å; L624-I628 PolarHBondContact O-N 2.66Å; L624-V651 HydrophobicContact CD1-CG1 4.04Å; L624-A655 HydrophobicContact CD1-CB 4.31Å; L624-A655 HydrophobicContact CD2-CB 3.9Å; L624-D659 HydrophobicContact CD2-CB 3.56Å; L624-L660 HydrophobicContact CD2-CD2 4.21Å
625N92.6Very high88.8Confident83 Ų8344.8 Ų44.844%0.44427%0.267SS..Hα-helixtrans-60.9-41.1177.2-72.6-16.4000112.1R621 W622 G629 H663R621-N625 WeakPolarHBondContact O-CB 3.45Å; R621-N625 PolarHBondContact O-N 3.39Å; R621-N625 PolarHBondContact O-ND2 3.31Å; R621-N625 PolarHBondContact O-OD1 2.81Å; W622-N625 WeakPolarHBondContact O-CB 3.43Å; W622-N625 PolarHBondContact O-N 2.93Å; N625-G629 PolarHBondContact O-N 3.37Å; N625-H663 PolarHBondContact OD1-NE2 3.03Å
626E93.3Very high88.7Confident68 Ų6851.7 Ų51.732%0.31830%0.302SS..Hα-helixtrans-63.7-47.9175-68.1-71.9155.900111F576 W622 F623 L624 I628 G629 L630F576-E626 HydrophobicContact CD2-CB 4.33Å; F576-E626 HydrophobicContact CE2-CB 3.71Å; F576-E626 HydrophobicContact CE2-CG 4.27Å; F576-E626 HydrophobicContact CZ-CB 4.49Å; W622-E626 HydrophobicContact CD2-CG 4.29Å; W622-E626 HydrophobicContact CH2-CG 4.4Å; W622-E626 HydrophobicContact CZ2-CG 3.71Å; W622-E626 PolarHBondContact NE1-OE1 2.9Å; W622-E626 WeakPolarHBondContact O-CG 3.46Å; W622-E626 PolarHBondContact O-N 3.11Å; F623-E626 PolarHBondContact O-N 2.92Å; L624-E626 VanDerWaalsContact C-N 3.33Å; L624-E626 PolarHBondContact O-N 2.92Å; E626-I628 PolarHBondContact O-N 3.31Å; E626-G629 PolarHBondContact O-N 3.15Å; E626-L630 WeakPolarHBondContact O-CB 3.18Å; E626-L630 VanDerWaalsContact O-CG 3.24Å; E626-L630 WeakPolarHBondContact O-CG 3.24Å; E626-L630 PolarHBondContact O-N 2.88Å
627V93.4Very high88.7Confident0 Ų051.7 Ų51.70%030%0.301CS..Hα-helixtrans-60.4-46.1178.7171.90000111.4F576 M608 F623 L624 L630 A631 F648 V651F576-V627 HydrophobicContact CE1-CG2 4.15Å; F576-V627 HydrophobicContact CZ-CG2 4.14Å; M608-V627 HydrophobicContact CE-CG2 3.67Å; F623-V627 HydrophobicContact CD1-CG2 4.05Å; F623-V627 HydrophobicContact CE1-CG2 3.91Å; F623-V627 WeakPolarHBondContact O-CG2 3.28Å; F623-V627 PolarHBondContact O-N 3.4Å; F623-V627 VanDerWaalsContact O-N 3.07Å; L624-V627 PolarHBondContact O-N 2.89Å; V627-L630 PolarHBondContact O-N 2.85Å; V627-A631 WeakPolarHBondContact O-CB 3.47Å; V627-A631 PolarHBondContact O-N 3.24Å; V627-F648 HydrophobicContact CG1-CB 3.77Å; V627-F648 HydrophobicContact CG1-CD1 4.02Å; V627-F648 HydrophobicContact CG1-CG 3.99Å; V627-V651 HydrophobicContact CG1-CB 4.25Å; V627-V651 HydrophobicContact CG1-CG1 4.46Å; V627-V651 HydrophobicContact CG2-CG1 4.33Å; V627-V651 HydrophobicContact CG2-CG2 4.45Å
628I92.7Very high88.8Confident4 Ų447.7 Ų47.72%0.02128%0.276CS..Hα-helixtrans-67.9-39.3178.1-67.2175.2000111L624 E626 L630 A631 A632 L660 H663 F666L624-I628 HydrophobicContact CD1-CD1 3.82Å; L624-I628 HydrophobicContact CD1-CG1 4.09Å; L624-I628 HydrophobicContact CD2-CD1 4.31Å; L624-I628 HydrophobicContact CG-CD1 3.76Å; L624-I628 HydrophobicContact CG-CG1 4.33Å; L624-I628 WeakPolarHBondContact O-CB 3.24Å; L624-I628 WeakPolarHBondContact O-CG1 3.27Å; L624-I628 PolarHBondContact O-N 2.66Å; E626-I628 PolarHBondContact O-N 3.31Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.01Å; I628-A631 PolarHBondContact O-N 3.21Å; I628-A632 VanDerWaalsContact O-CB 3.29Å; I628-A632 WeakPolarHBondContact O-CB 3.34Å; I628-A632 PolarHBondContact O-N 2.93Å; I628-L660 HydrophobicContact CD1-CD2 4.35Å; I628-H663 HydrophobicContact CD1-CB 3.78Å; I628-H663 VanDerWaalsContact CD1-CD2 3.45Å; I628-H663 WeakPolarHBondContact CD1-CD2 3.37Å; I628-H663 VanDerWaalsContact CD1-CG 3.41Å; I628-H663 WeakPolarHBondContact CG2-ND1 3.48Å; I628-F666 HydrophobicContact CG2-CD1 3.82Å; I628-F666 HydrophobicContact CG2-CE1 4.07Å; I628-F666 HydrophobicContact CG2-CG 4.38Å
629G91.1Very high88.7Confident49 Ų4944.2 Ų44.251%0.50525%0.25SC..Hα-helixtrans-58.8-43.2174.300000112.4N625 E626N625-G629 PolarHBondContact O-N 3.37Å; E626-G629 PolarHBondContact O-N 3.15Å
630L90.6Very high88.2Confident45 Ų4548.9 Ų48.924%0.23627%0.272CS..Hα-helixtrans-67-36.2175.1-69.6169.8000112.8F576 I580 E626 V627 I628 R634 F648F576-L630 HydrophobicContact CB-CD1 4.25Å; F576-L630 HydrophobicContact CD2-CD1 4.46Å; F576-L630 HydrophobicContact CG-CD1 4.43Å; I580-L630 HydrophobicContact CD1-CD1 4.01Å; I580-L630 HydrophobicContact CD1-CD2 3.72Å; I580-L630 HydrophobicContact CD1-CG 4.46Å; E626-L630 WeakPolarHBondContact O-CB 3.18Å; E626-L630 VanDerWaalsContact O-CG 3.24Å; E626-L630 WeakPolarHBondContact O-CG 3.24Å; E626-L630 PolarHBondContact O-N 2.88Å; V627-L630 PolarHBondContact O-N 2.85Å; I628-L630 VanDerWaalsContact C-N 3.32Å; I628-L630 PolarHBondContact O-N 3.01Å; L630-R634 PolarHBondContact O-NH1 2.99Å; L630-F648 HydrophobicContact CB-CE2 3.96Å; L630-F648 HydrophobicContact CB-CZ 3.96Å; L630-F648 HydrophobicContact CD1-CZ 4.16Å
631A90.5Very high87.8Confident0 Ų048.7 Ų48.70%027%0.27CS..Hα-helixtrans-73.1-37.9177.100000112.8V627 I628 G633 R634 K635 F638 F648 F666V627-A631 WeakPolarHBondContact O-CB 3.47Å; V627-A631 PolarHBondContact O-N 3.24Å; I628-A631 PolarHBondContact O-N 3.21Å; A631-G633 VanDerWaalsContact C-N 3.27Å; A631-G633 PolarHBondContact O-N 3.39Å; A631-R634 CarbonylContact O-C 3.55Å; A631-R634 WeakPolarHBondContact O-CA 3.12Å; A631-R634 PolarHBondContact O-N 3.02Å; A631-K635 PolarHBondContact O-N 3.06Å; A631-F638 HydrophobicContact CB-CD2 4.33Å; A631-F638 HydrophobicContact CB-CE2 3.95Å; A631-F648 HydrophobicContact CB-CD2 4.24Å; A631-F666 HydrophobicContact CB-CZ 4.13Å
632A88.2Confident87.4Confident45 Ų4542.6 Ų42.637%0.37225%0.248SC..Hα-helixtrans-61.8-34.5-179.300000112.3I628 R634 K635 F666I628-A632 VanDerWaalsContact O-CB 3.29Å; I628-A632 WeakPolarHBondContact O-CB 3.34Å; I628-A632 PolarHBondContact O-N 2.93Å; A632-R634 PolarHBondContact O-N 3.13Å; A632-R634 VanDerWaalsContact O-N 3.1Å; A632-K635 WeakPolarHBondContact O-CB 3.38Å; A632-K635 PolarHBondContact O-N 2.79Å; A632-F666 HydrophobicContact CB-CD2 4.3Å; A632-F666 HydrophobicContact CB-CE2 4.14Å
633G85.4Confident87.2Confident74 Ų7440.8 Ų40.876%0.76324%0.241SC*.THydrogen-bonded Turntrans-64.8-7.6171.800000114.8A631A631-G633 VanDerWaalsContact C-N 3.27Å; A631-G633 PolarHBondContact O-N 3.39Å
634R85.7Confident87Confident62 Ų6240.8 Ų40.823%0.23424%0.241CC..THydrogen-bonded Turntrans-124.923.2179.5-61.6178.5179.481.8-1112.3L630 A631 A632 D636 T637 F638L630-R634 PolarHBondContact O-NH1 2.99Å; A631-R634 CarbonylContact O-C 3.55Å; A631-R634 WeakPolarHBondContact O-CA 3.12Å; A631-R634 PolarHBondContact O-N 3.02Å; A632-R634 PolarHBondContact O-N 3.13Å; A632-R634 VanDerWaalsContact O-N 3.1Å; R634-D636 VanDerWaalsContact C-N 3.31Å; R634-D636 PolarHBondContact O-N 3.21Å; R634-T637 CarbonylContact O-C 3.59Å; R634-T637 PolarHBondContact O-N 3.16Å; R634-T637 VanDerWaalsContact O-N 3.08Å; R634-T637 PolarHBondContact O-OG1 3.33Å; R634-F638 WeakPolarHBondContact O-CA 3.44Å; R634-F638 PolarHBondContact O-N 3.23Å
635K84.4Confident86.7Confident86 Ų8640.8 Ų40.837%0.37424%0.241SC..G310 helixtrans-51.3-45.6-174.3178.1173.5162.7172.30113.4A631 A632 T637 F638 S669 L670A631-K635 PolarHBondContact O-N 3.06Å; A632-K635 WeakPolarHBondContact O-CB 3.38Å; A632-K635 PolarHBondContact O-N 2.79Å; K635-T637 VanDerWaalsContact C-N 3.28Å; K635-T637 PolarHBondContact O-N 2.96Å; K635-F638 WeakPolarHBondContact O-CB 3.28Å; K635-F638 PolarHBondContact O-N 3.46Å; K635-S669 WeakPolarHBondContact CE-OG 3.43Å; K635-S669 PolarHBondContact NZ-OG 2.94Å; K635-L670 HydrophobicContact CG-CD2 4.41Å
636D82Confident86.3Confident156 Ų15637.1 Ų37.183%0.83422%0.221SC*.G310 helixtrans-71.1-22-176.5-55.9-36.1000113.7R634R634-D636 VanDerWaalsContact C-N 3.31Å; R634-D636 PolarHBondContact O-N 3.21Å
637T81.8Confident86Confident55 Ų5533.9 Ų33.934%0.33721%0.206SC..G310 helixtrans-115.413.7-179.855.50000112.4R634 K635 F639 Q640 S641R634-T637 CarbonylContact O-C 3.59Å; R634-T637 PolarHBondContact O-N 3.16Å; R634-T637 VanDerWaalsContact O-N 3.08Å; R634-T637 PolarHBondContact O-OG1 3.33Å; K635-T637 VanDerWaalsContact C-N 3.28Å; K635-T637 PolarHBondContact O-N 2.96Å; T637-F639 PolarHBondContact O-N 3.49Å; T637-Q640 CarbonylContact O-C 3.46Å; T637-Q640 WeakPolarHBondContact O-CA 3.33Å; T637-Q640 PolarHBondContact O-N 3.32Å; T637-S641 PolarHBondContact O-N 3.22Å
638F86.8Confident86Confident1 Ų133.9 Ų33.90%0.00421%0.206CC..G310 helixtrans-54.9-51.9-171.1-177.6-85.3000111.6A631 R634 K635 Q640 S641 C644 M645 I652 F666 L670 L692A631-F638 HydrophobicContact CB-CD2 4.33Å; A631-F638 HydrophobicContact CB-CE2 3.95Å; R634-F638 WeakPolarHBondContact O-CA 3.44Å; R634-F638 PolarHBondContact O-N 3.23Å; K635-F638 WeakPolarHBondContact O-CB 3.28Å; K635-F638 PolarHBondContact O-N 3.46Å; F638-Q640 PolarHBondContact O-N 3.31Å; F638-S641 PolarHBondContact O-N 2.99Å; F638-C644 HydrophobicContact CD1-CB 4.44Å; F638-C644 HydrophobicContact CD2-CB 3.73Å; F638-C644 HydrophobicContact CE2-CB 3.82Å; F638-C644 HydrophobicContact CG-CB 4.05Å; F638-C644 HydrophobicContact CZ-CB 4.22Å; F638-C644 VanDerWaalsContact O-CB 3.28Å; F638-C644 WeakPolarHBondContact O-CB 3.25Å; F638-M645 HydrophobicContact CD1-SD 3.93Å; F638-M645 HydrophobicContact CE1-SD 3.63Å; F638-I652 HydrophobicContact CE2-CD1 4.49Å; F638-I652 HydrophobicContact CZ-CD1 4.29Å; F638-F666 HydrophobicContact CD2-CZ 4.38Å; F638-F666 HydrophobicContact CE2-CZ 4.34Å; F638-L670 HydrophobicContact CB-CD2 3.84Å; F638-L670 HydrophobicContact CD1-CD1 4.15Å; F638-L670 HydrophobicContact CD1-CD2 4.08Å; F638-L670 HydrophobicContact CD2-CD1 4.16Å; F638-L670 HydrophobicContact CD2-CD2 4.13Å; F638-L670 HydrophobicContact CE1-CD1 4.01Å; F638-L670 HydrophobicContact CE2-CD1 4Å; F638-L670 HydrophobicContact CG-CD1 4.24Å; F638-L670 HydrophobicContact CG-CD2 3.75Å; F638-L670 HydrophobicContact CZ-CD1 3.93Å; F638-L692 HydrophobicContact CE1-CD2 4.04Å; F638-L692 HydrophobicContact CZ-CD2 4.41Å
639F80.9Confident85.9Confident17 Ų1733.7 Ų33.78%0.07521%0.205CC..G310 helixtrans-74.5-6.4179.8-62.1-66.8000114.5T637 M645 L670 E674 C689 L692 F693T637-F639 PolarHBondContact O-N 3.49Å; F639-M645 HydrophobicContact CD1-CE 4.43Å; F639-M645 HydrophobicContact CD1-SD 3.69Å; F639-M645 HydrophobicContact CE1-SD 4.31Å; F639-L670 HydrophobicContact CZ-CB 4.26Å; F639-E674 HydrophobicContact CE1-CG 4.46Å; F639-E674 HydrophobicContact CE2-CB 4.17Å; F639-E674 HydrophobicContact CE2-CG 4.18Å; F639-E674 HydrophobicContact CZ-CB 4.32Å; F639-E674 HydrophobicContact CZ-CG 4.04Å; F639-C689 HydrophobicContact CD1-CB 3.94Å; F639-C689 HydrophobicContact CE1-CB 3.64Å; F639-C689 HydrophobicContact CZ-CB 4.46Å; F639-L692 HydrophobicContact CE1-CD2 4.47Å; F639-F693 HydrophobicContact CE1-CE2 4.37Å; F639-F693 HydrophobicContact CZ-CE2 4.06Å; F639-F693 HydrophobicContact CZ-CZ 4.28Å
640Q76.5Confident85.9Confident104 Ų10431.4 Ų31.449%0.48618%0.181SC..G310 helixtrans-102.2-12.5176.9-60.7173-4.500111.8L587 L588 T637 F638L587-Q640 CarbonylContact C-O 3.5Å; L587-Q640 WeakPolarHBondContact CA-O 3.22Å; L587-Q640 HydrophobicContact CD2-CB 3.78Å; L588-Q640 WeakPolarHBondContact CG-O 3.47Å; L588-Q640 PolarHBondContact N-O 2.63Å; T637-Q640 CarbonylContact O-C 3.46Å; T637-Q640 WeakPolarHBondContact O-CA 3.33Å; T637-Q640 PolarHBondContact O-N 3.32Å; F638-Q640 PolarHBondContact O-N 3.31Å
641S82.1Confident86.1Confident6 Ų629.2 Ų29.24%0.04217%0.17CC..BIsolated β-bridgetrans-93.1122-175.3-178.90000111.6T637 F638 L643 C644 M645T637-S641 PolarHBondContact O-N 3.22Å; F638-S641 PolarHBondContact O-N 2.99Å; S641-L643 PolarHBondContact O-N 3.49Å; S641-L643 PolarHBondContact OG-N 3.28Å; S641-C644 PolarHBondContact O-N 2.9Å; S641-C644 VanDerWaalsContact O-N 3.17Å; S641-C644 PolarHBondContact OG-N 3.4Å; S641-M645 PolarHBondContact O-N 3Å
642S80.2Confident86.2Confident2 Ų229.2 Ų29.21%0.01417%0.17CC..Hα-helixtrans-58.5-37.9172.2-171.90000111.6A586 N646A586-S642 PolarHBondContact O-N 3.46Å; A586-S642 VanDerWaalsContact O-N 3.16Å; S642-N646 WeakPolarHBondContact O-CB 3.48Å; S642-N646 PolarHBondContact O-N 3.47Å; S642-N646 PolarHBondContact OG-ND2 3.18Å; S642-N646 VanDerWaalsContact OG-ND2 3.1Å
643L86.7Confident86.4Confident0 Ų027.1 Ų27.10%015%0.152CC..Iπ-helixtrans-58.6-49.2174.1179.468.3000111.7A579 I580 F583 S641 V647 F648A579-L643 HydrophobicContact CB-CD1 4.11Å; A579-L643 WeakPolarHBondContact O-CD1 3.47Å; I580-L643 HydrophobicContact CG1-CD2 4.16Å; F583-L643 HydrophobicContact CB-CB 4.05Å; F583-L643 HydrophobicContact CB-CD1 4.1Å; S641-L643 PolarHBondContact O-N 3.49Å; S641-L643 PolarHBondContact OG-N 3.28Å; L643-V647 HydrophobicContact CD1-CB 4.18Å; L643-V647 HydrophobicContact CD1-CG1 4.4Å; L643-V647 HydrophobicContact CD1-CG2 4.41Å; L643-V647 WeakPolarHBondContact O-CA 3.44Å; L643-V647 VanDerWaalsContact O-CB 3.27Å; L643-V647 WeakPolarHBondContact O-CB 3.5Å; L643-V647 PolarHBondContact O-N 2.75Å; L643-F648 HydrophobicContact CD1-CE1 3.91Å; L643-F648 HydrophobicContact CD1-CE2 4.11Å; L643-F648 HydrophobicContact CD1-CZ 3.68Å; L643-F648 HydrophobicContact CD2-CE2 3.65Å; L643-F648 HydrophobicContact CD2-CZ 3.75Å; L643-F648 HydrophobicContact CG-CD2 4.07Å; L643-F648 HydrophobicContact CG-CE1 4.25Å; L643-F648 HydrophobicContact CG-CE2 3.54Å; L643-F648 HydrophobicContact CG-CZ 3.64Å; L643-F648 PolarHBondContact O-N 2.86Å
644C89.2Confident86.6Confident0 Ų023.6 Ų23.60%012%0.116CC..Iπ-helixtrans-67.8-45.2-180-65.40000112.1F638 S641 S649F638-C644 HydrophobicContact CD1-CB 4.44Å; F638-C644 HydrophobicContact CD2-CB 3.73Å; F638-C644 HydrophobicContact CE2-CB 3.82Å; F638-C644 HydrophobicContact CG-CB 4.05Å; F638-C644 HydrophobicContact CZ-CB 4.22Å; F638-C644 VanDerWaalsContact O-CB 3.28Å; F638-C644 WeakPolarHBondContact O-CB 3.25Å; S641-C644 PolarHBondContact O-N 2.9Å; S641-C644 VanDerWaalsContact O-N 3.17Å; S641-C644 PolarHBondContact OG-N 3.4Å; C644-S649 VanDerWaalsContact O-CB 3.29Å; C644-S649 WeakPolarHBondContact O-CB 3.41Å; C644-S649 PolarHBondContact O-N 2.96Å; C644-S649 PolarHBondContact O-OG 3.01Å
645M85.8Confident86.8Confident0 Ų020.7 Ų20.70%011%0.105CC..Iπ-helixtrans-81.7-35.7-171.9-67.6-49.6-48.900115F638 F639 S641 S649 C687 R688F638-M645 HydrophobicContact CD1-SD 3.93Å; F638-M645 HydrophobicContact CE1-SD 3.63Å; F639-M645 HydrophobicContact CD1-CE 4.43Å; F639-M645 HydrophobicContact CD1-SD 3.69Å; F639-M645 HydrophobicContact CE1-SD 4.31Å; S641-M645 PolarHBondContact O-N 3Å; M645-S649 WeakPolarHBondContact O-CB 3.11Å; M645-C687 WeakPolarHBondContact CE-O 3.28Å; M645-R688 HydrophobicContact CE-CB 3.52Å
646N84.5Confident86.8Confident5 Ų517.9 Ų17.93%0.02710%0.095CC..Iπ-helixtrans-101.6-22.6-175-59.8-32.7000112.7A601 D602 G605 S642 P650 R688A601-N646 HydrophobicContact CB-CB 3.64Å; D602-N646 WeakPolarHBondContact OD1-CB 3.25Å; D602-N646 PolarHBondContact OD1-OD1 2.87Å; G605-N646 VanDerWaalsContact CA-O 3.3Å; G605-N646 WeakPolarHBondContact CA-O 3.44Å; S642-N646 WeakPolarHBondContact O-CB 3.48Å; S642-N646 PolarHBondContact O-N 3.47Å; S642-N646 PolarHBondContact OG-ND2 3.18Å; S642-N646 VanDerWaalsContact OG-ND2 3.1Å; N646-P650 WeakPolarHBondContact O-CG 3.41Å; N646-R688 PolarHBondContact OD1-NH1 3.43Å
647V87.8Confident86.8Confident0 Ų011.8 Ų11.80%07%0.066CC..Iπ-helixtrans-110.1-52.6-176.1-173.50000112.6A579 F583 A601 M608 L643A579-V647 HydrophobicContact CB-CG1 4.04Å; F583-V647 HydrophobicContact CD2-CG2 3.8Å; F583-V647 HydrophobicContact CE2-CG2 4.22Å; F583-V647 HydrophobicContact CG-CG2 4.23Å; A601-V647 HydrophobicContact CB-CG2 4.2Å; M608-V647 HydrophobicContact CG-CG1 4.48Å; M608-V647 HydrophobicContact SD-CG1 3.38Å; M608-V647 WeakPolarHBondContact SD-CG1 3.21Å; L643-V647 HydrophobicContact CD1-CB 4.18Å; L643-V647 HydrophobicContact CD1-CG1 4.4Å; L643-V647 HydrophobicContact CD1-CG2 4.41Å; L643-V647 WeakPolarHBondContact O-CA 3.44Å; L643-V647 VanDerWaalsContact O-CB 3.27Å; L643-V647 WeakPolarHBondContact O-CB 3.5Å; L643-V647 PolarHBondContact O-N 2.75Å
648F92.5Very high86.8Confident0 Ų011.7 Ų11.70%07%0.071CC..Iπ-helixtrans-81.2-40.2-177.4-62.4-24.3000113.6I580 M608 V627 L630 A631 L643 V651 I652I580-F648 HydrophobicContact CG1-CZ 4.31Å; M608-F648 HydrophobicContact CE-CD1 4.05Å; M608-F648 HydrophobicContact CE-CE1 4.23Å; V627-F648 HydrophobicContact CG1-CB 3.77Å; V627-F648 HydrophobicContact CG1-CD1 4.02Å; V627-F648 HydrophobicContact CG1-CG 3.99Å; L630-F648 HydrophobicContact CB-CE2 3.96Å; L630-F648 HydrophobicContact CB-CZ 3.96Å; L630-F648 HydrophobicContact CD1-CZ 4.16Å; A631-F648 HydrophobicContact CB-CD2 4.24Å; L643-F648 HydrophobicContact CD1-CE1 3.91Å; L643-F648 HydrophobicContact CD1-CE2 4.11Å; L643-F648 HydrophobicContact CD1-CZ 3.68Å; L643-F648 HydrophobicContact CD2-CE2 3.65Å; L643-F648 HydrophobicContact CD2-CZ 3.75Å; L643-F648 HydrophobicContact CG-CD2 4.07Å; L643-F648 HydrophobicContact CG-CE1 4.25Å; L643-F648 HydrophobicContact CG-CE2 3.54Å; L643-F648 HydrophobicContact CG-CZ 3.64Å; L643-F648 PolarHBondContact O-N 2.86Å; F648-V651 WeakPolarHBondContact O-CB 3.28Å; F648-V651 PolarHBondContact O-N 2.95Å; F648-I652 PolarHBondContact O-N 3.17Å
649S91.5Very high86.6Confident0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-57.4-40.2-178.2-66.90000113.3C644 M645 V651 I652 F653C644-S649 VanDerWaalsContact O-CB 3.29Å; C644-S649 WeakPolarHBondContact O-CB 3.41Å; C644-S649 PolarHBondContact O-N 2.96Å; C644-S649 PolarHBondContact O-OG 3.01Å; M645-S649 WeakPolarHBondContact O-CB 3.11Å; S649-V651 PolarHBondContact O-N 3.37Å; S649-I652 CarbonylContact O-C 3.53Å; S649-I652 WeakPolarHBondContact O-CA 3.11Å; S649-I652 WeakPolarHBondContact O-CB 3.44Å; S649-I652 PolarHBondContact O-N 2.89Å; S649-F653 VanDerWaalsContact CB-CE1 3.46Å; S649-F653 WeakPolarHBondContact O-CD1 3.41Å; S649-F653 WeakPolarHBondContact O-CE1 3.42Å; S649-F653 WeakPolarHBondContact O-CG 3.42Å; S649-F653 PolarHBondContact O-N 3.05Å
650P91.8Very high86.8Confident1 Ų112.2 Ų12.21%0.0068%0.075CC..Hα-helixtrans-51.7-35.6171.6-33.439.9000115.7G605 Q609 N646 F653 A654 N782G605-P650 WeakPolarHBondContact O-CB 3.33Å; Q609-P650 HydrophobicContact CB-CB 4.09Å; Q609-P650 WeakPolarHBondContact CG-O 3.47Å; Q609-P650 PolarHBondContact NE2-O 3.05Å; N646-P650 WeakPolarHBondContact O-CG 3.41Å; P650-F653 HydrophobicContact CB-CD2 4.44Å; P650-F653 HydrophobicContact CG-CE2 4.27Å; P650-A654 PolarHBondContact O-N 3.28Å; P650-N782 HydrophobicContact CB-CB 3.91Å; P650-N782 HydrophobicContact CG-CB 3.84Å
651V93.4Very high86.9Confident0 Ų013.9 Ų13.90%09%0.086CC..Hα-helixtrans-69.9-42.9174.8-176.90000110.2M608 F612 F623 L624 V627 F648 S649 F653 A654 A655M608-V651 HydrophobicContact CB-CG2 3.66Å; M608-V651 HydrophobicContact CE-CG2 4.2Å; F612-V651 HydrophobicContact CB-CG1 4.01Å; F612-V651 HydrophobicContact CD1-CG1 4.44Å; F612-V651 HydrophobicContact CD2-CG1 4.13Å; F612-V651 HydrophobicContact CG-CG1 3.93Å; F623-V651 HydrophobicContact CD1-CG1 4.08Å; F623-V651 HydrophobicContact CE1-CG1 4Å; F623-V651 HydrophobicContact CE1-CG2 4.04Å; L624-V651 HydrophobicContact CD1-CG1 4.04Å; V627-V651 HydrophobicContact CG1-CB 4.25Å; V627-V651 HydrophobicContact CG1-CG1 4.46Å; V627-V651 HydrophobicContact CG2-CG1 4.33Å; V627-V651 HydrophobicContact CG2-CG2 4.45Å; F648-V651 WeakPolarHBondContact O-CB 3.28Å; F648-V651 PolarHBondContact O-N 2.95Å; S649-V651 PolarHBondContact O-N 3.37Å; V651-F653 VanDerWaalsContact C-N 3.32Å; V651-F653 PolarHBondContact O-N 3.27Å; V651-A654 PolarHBondContact O-N 3.05Å; V651-A655 PolarHBondContact O-N 3.44Å
652I93.5Very high87Confident0 Ų017 Ų170%012%0.118CC..Hα-helixtrans-65.3-36.5176.9-56.3172.4000110.8F638 F648 S649 A654 A655 L667 L692 L696F638-I652 HydrophobicContact CE2-CD1 4.49Å; F638-I652 HydrophobicContact CZ-CD1 4.29Å; F648-I652 PolarHBondContact O-N 3.17Å; S649-I652 CarbonylContact O-C 3.53Å; S649-I652 WeakPolarHBondContact O-CA 3.11Å; S649-I652 WeakPolarHBondContact O-CB 3.44Å; S649-I652 PolarHBondContact O-N 2.89Å; I652-A654 PolarHBondContact O-N 2.83Å; I652-A655 WeakPolarHBondContact O-CB 3.43Å; I652-A655 PolarHBondContact O-N 3.48Å; I652-L667 HydrophobicContact CG2-CD2 4.09Å; I652-L692 HydrophobicContact CB-CD1 4.11Å; I652-L692 HydrophobicContact CG2-CD1 3.65Å; I652-L696 HydrophobicContact CG2-CD1 4.46Å; I652-L696 HydrophobicContact CG2-CD2 4.14Å
653F91.2Very high87.5Confident1 Ų118.4 Ų18.40%0.00413%0.125CC..Hα-helixtrans-57-38.6176-59.8-12.7000111.1S649 P650 V651 I691 L692 C695 N699 N782 C784S649-F653 VanDerWaalsContact CB-CE1 3.46Å; S649-F653 WeakPolarHBondContact O-CD1 3.41Å; S649-F653 WeakPolarHBondContact O-CE1 3.42Å; S649-F653 WeakPolarHBondContact O-CG 3.42Å; S649-F653 PolarHBondContact O-N 3.05Å; P650-F653 HydrophobicContact CB-CD2 4.44Å; P650-F653 HydrophobicContact CG-CE2 4.27Å; V651-F653 VanDerWaalsContact C-N 3.32Å; V651-F653 PolarHBondContact O-N 3.27Å; F653-I691 HydrophobicContact CD2-CG2 4.26Å; F653-I691 HydrophobicContact CE2-CG2 3.76Å; F653-I691 HydrophobicContact CZ-CB 4.28Å; F653-I691 HydrophobicContact CZ-CG2 3.92Å; F653-L692 HydrophobicContact CD1-CB 4.21Å; F653-L692 HydrophobicContact CD1-CD1 3.6Å; F653-L692 HydrophobicContact CE1-CB 3.58Å; F653-L692 HydrophobicContact CE1-CD1 3.62Å; F653-L692 HydrophobicContact CE1-CG 4.17Å; F653-C695 HydrophobicContact CB-CB 3.82Å; F653-C695 HydrophobicContact CD1-CB 4.38Å; F653-C695 HydrophobicContact CG-CB 4.21Å; F653-N699 PolarHBondContact O-ND2 2.83Å; F653-N782 WeakPolarHBondContact CD2-O 3.5Å; F653-C784 HydrophobicContact CB-CB 4.33Å
654A89.9Confident87.4Confident0 Ų021.3 Ų21.30%014%0.138CC..Hα-helixtrans-82.8-11.2-176.500000114.3Q609 F612 L613 P650 V651 I652 C784Q609-A654 HydrophobicContact CG-CB 4Å; F612-A654 HydrophobicContact CD1-CB 3.84Å; F612-A654 HydrophobicContact CE1-CB 3.85Å; L613-A654 HydrophobicContact CD2-CB 4.03Å; L613-A654 HydrophobicContact CG-CB 4.31Å; P650-A654 PolarHBondContact O-N 3.28Å; V651-A654 PolarHBondContact O-N 3.05Å; I652-A654 PolarHBondContact O-N 2.83Å; A654-C784 HydrophobicContact CB-CB 4.14Å
655A90Very high87.4Confident0 Ų029.4 Ų29.40%018%0.176CC..  trans-69.5137.4-176.800000111.5L624 V651 I652 D659 L660 N699L624-A655 HydrophobicContact CD1-CB 4.31Å; L624-A655 HydrophobicContact CD2-CB 3.9Å; V651-A655 PolarHBondContact O-N 3.44Å; I652-A655 WeakPolarHBondContact O-CB 3.43Å; I652-A655 PolarHBondContact O-N 3.48Å; A655-D659 HydrophobicContact CB-CB 4.21Å; A655-L660 HydrophobicContact CB-CD1 4.11Å; A655-L660 HydrophobicContact CB-CD2 3.82Å; A655-L660 HydrophobicContact CB-CG 3.84Å; A655-N699 VanDerWaalsContact O-CB 3.26Å; A655-N699 WeakPolarHBondContact O-CB 3.35Å
656T85.4Confident87.6Confident28 Ų2830.6 Ų30.617%0.17218%0.181CC..  trans-94.3170.4176.868.50000111.5A658 D659 L660 R786T656-A658 PolarHBondContact O-N 2.67Å; T656-A658 VanDerWaalsContact O-N 3.15Å; T656-A658 PolarHBondContact OG1-N 2.96Å; T656-D659 WeakPolarHBondContact CB-OD2 3.33Å; T656-D659 PolarHBondContact N-OD2 3.34Å; T656-D659 PolarHBondContact O-N 3.17Å; T656-D659 PolarHBondContact OG1-OD2 3.46Å; T656-L660 WeakPolarHBondContact O-CG 3.29Å; T656-L660 PolarHBondContact O-N 2.92Å; T656-R786 HydrophobicContact CG2-CB 4.47Å; T656-R786 HydrophobicContact CG2-CG 4.44Å
657A80.5Confident87.9Confident27 Ų2730.4 Ų30.422%0.22318%0.18CC..THydrogen-bonded Turntrans-50.1-38.7172.500000113.1D659 L660 I661 N699 D701A657-D659 VanDerWaalsContact C-N 3.31Å; A657-D659 PolarHBondContact O-N 3.39Å; A657-L660 PolarHBondContact O-N 3.4Å; A657-I661 WeakPolarHBondContact O-CG1 3.4Å; A657-N699 PolarHBondContact N-O 3.42Å; A657-D701 HydrophobicContact CB-CB 4.43Å
658A82Confident88Confident54 Ų5431.7 Ų31.745%0.44619%0.187SC..THydrogen-bonded Turntrans-69.8-27.2179.800000113.4T656T656-A658 PolarHBondContact O-N 2.67Å; T656-A658 VanDerWaalsContact O-N 3.15Å; T656-A658 PolarHBondContact OG1-N 2.96Å
659D84.2Confident87.8Confident19 Ų1932.8 Ų32.810%0.10220%0.195CC..THydrogen-bonded Turntrans-81.5-28179.3-54.2-54.2000111.4L624 A655 T656 A657L624-D659 HydrophobicContact CD2-CB 3.56Å; A655-D659 HydrophobicContact CB-CB 4.21Å; T656-D659 WeakPolarHBondContact CB-OD2 3.33Å; T656-D659 PolarHBondContact N-OD2 3.34Å; T656-D659 PolarHBondContact O-N 3.17Å; T656-D659 PolarHBondContact OG1-OD2 3.46Å; A657-D659 VanDerWaalsContact C-N 3.31Å; A657-D659 PolarHBondContact O-N 3.39Å
660L83.4Confident87.7Confident9 Ų932.8 Ų32.85%0.04720%0.195CC..SBendtrans-95.50.4-170.6-66.8175.1000115.6L624 I628 A655 T656 A657 G662 H663 E664 L667 L696 I700L624-L660 HydrophobicContact CD2-CD2 4.21Å; I628-L660 HydrophobicContact CD1-CD2 4.35Å; A655-L660 HydrophobicContact CB-CD1 4.11Å; A655-L660 HydrophobicContact CB-CD2 3.82Å; A655-L660 HydrophobicContact CB-CG 3.84Å; T656-L660 WeakPolarHBondContact O-CG 3.29Å; T656-L660 PolarHBondContact O-N 2.92Å; A657-L660 PolarHBondContact O-N 3.4Å; L660-G662 PolarHBondContact O-N 3.16Å; L660-H663 PolarHBondContact O-N 3.42Å; L660-E664 PolarHBondContact O-N 3.25Å; L660-L667 HydrophobicContact CD1-CD1 3.88Å; L660-L667 HydrophobicContact CD2-CD1 3.84Å; L660-L667 HydrophobicContact CG-CD1 4.32Å; L660-L696 HydrophobicContact CD1-CD2 3.6Å; L660-I700 HydrophobicContact CD1-CD1 3.97Å; L660-I700 HydrophobicContact CD1-CG1 4.03Å
661I80.4Confident87.5Confident139 Ų13933.6 Ų33.671%0.71320%0.198SC*.THydrogen-bonded Turntrans-50.3-37.9-175.1-60.9175.6000112.8A657A657-I661 WeakPolarHBondContact O-CG1 3.4Å
662G83.2Confident87Confident71 Ų7139 Ų3973%0.73222%0.222SC*.THydrogen-bonded Turntrans-90.6-0.4-179.100000115.7L660L660-G662 PolarHBondContact O-N 3.16Å
663H89.9Confident86.2Confident32 Ų3241.9 Ų41.915%0.14824%0.241CC..THydrogen-bonded Turntrans-125.35.9-167.3-62-64.5000114N625 I628 L660 E665 F666 L667N625-H663 PolarHBondContact OD1-NE2 3.03Å; I628-H663 HydrophobicContact CD1-CB 3.78Å; I628-H663 VanDerWaalsContact CD1-CD2 3.45Å; I628-H663 WeakPolarHBondContact CD1-CD2 3.37Å; I628-H663 VanDerWaalsContact CD1-CG 3.41Å; I628-H663 WeakPolarHBondContact CG2-ND1 3.48Å; L660-H663 PolarHBondContact O-N 3.42Å; H663-E665 VanDerWaalsContact C-N 3.32Å; H663-E665 PolarHBondContact O-N 3.18Å; H663-F666 WeakPolarHBondContact O-CB 3.08Å; H663-F666 PolarHBondContact O-N 2.91Å; H663-L667 PolarHBondContact O-N 2.92Å; H663-L667 VanDerWaalsContact O-N 3.12Å
664E85.6Confident85.2Confident61 Ų6142.3 Ų42.329%0.28524%0.243SC..Hα-helixtrans-62.6-37.2-175.9-169.2166-143.500112.8L660 F666 L667 L668 P704 L705L660-E664 PolarHBondContact O-N 3.25Å; E664-F666 VanDerWaalsContact C-N 3.34Å; E664-F666 PolarHBondContact O-N 3.44Å; E664-L667 PolarHBondContact O-N 3.21Å; E664-L668 HydrophobicContact CG-CD1 4.08Å; E664-L668 HydrophobicContact CG-CG 4.42Å; E664-L668 WeakPolarHBondContact O-CB 3.27Å; E664-L668 WeakPolarHBondContact O-CG 3.48Å; E664-L668 PolarHBondContact O-N 3.41Å; E664-P704 VanDerWaalsContact CD-CD 3.47Å; E664-P704 HydrophobicContact CG-CG 4.14Å; E664-P704 WeakPolarHBondContact OE1-CD 3.47Å; E664-P704 VanDerWaalsContact OE1-CG 3.23Å; E664-P704 WeakPolarHBondContact OE1-CG 3.34Å; E664-P704 WeakPolarHBondContact OE2-CD 3.35Å; E664-P704 WeakPolarHBondContact OE2-CG 3.26Å; E664-L705 HydrophobicContact CG-CB 4.37Å; E664-L705 PolarHBondContact OE1-N 3.35Å
665E88.1Confident83.8Confident170 Ų17045.4 Ų45.479%0.79426%0.263SS*.Hα-helixtrans-62.8-40.2176.5-170.4-179.4-17800112.2H663 S669H663-E665 VanDerWaalsContact C-N 3.32Å; H663-E665 PolarHBondContact O-N 3.18Å; E665-S669 WeakPolarHBondContact O-CB 3.1Å; E665-S669 PolarHBondContact O-N 2.79Å
666F91.4Very high82.7Confident25 Ų2545.6 Ų45.611%0.1127%0.265CS..Hα-helixtrans-63.8-48.5175.3169-108.6000110.8I628 A631 A632 F638 H663 E664 L668 S669 L670I628-F666 HydrophobicContact CG2-CD1 3.82Å; I628-F666 HydrophobicContact CG2-CE1 4.07Å; I628-F666 HydrophobicContact CG2-CG 4.38Å; A631-F666 HydrophobicContact CB-CZ 4.13Å; A632-F666 HydrophobicContact CB-CD2 4.3Å; A632-F666 HydrophobicContact CB-CE2 4.14Å; F638-F666 HydrophobicContact CD2-CZ 4.38Å; F638-F666 HydrophobicContact CE2-CZ 4.34Å; H663-F666 WeakPolarHBondContact O-CB 3.08Å; H663-F666 PolarHBondContact O-N 2.91Å; E664-F666 VanDerWaalsContact C-N 3.34Å; E664-F666 PolarHBondContact O-N 3.44Å; F666-L668 PolarHBondContact O-N 3.39Å; F666-S669 WeakPolarHBondContact O-CB 3.28Å; F666-S669 PolarHBondContact O-N 3.18Å; F666-S669 VanDerWaalsContact O-N 3.12Å; F666-S669 PolarHBondContact O-OG 3.39Å; F666-L670 HydrophobicContact CD1-CD1 4.31Å; F666-L670 HydrophobicContact CE1-CD1 3.59Å; F666-L670 HydrophobicContact CE1-CG 4.27Å; F666-L670 HydrophobicContact CE2-CD1 4.19Å; F666-L670 HydrophobicContact CE2-CD2 4.17Å; F666-L670 HydrophobicContact CE2-CG 4.1Å; F666-L670 HydrophobicContact CZ-CD1 3.53Å; F666-L670 HydrophobicContact CZ-CD2 4.2Å; F666-L670 HydrophobicContact CZ-CG 3.95Å; F666-L670 PolarHBondContact O-N 3.24Å
667L90.9Very high81.7Confident1 Ų145.9 Ų45.91%0.00526%0.264CS..Hα-helixtrans-64.6-40.8179.8-65.8178.6000112.7I652 L660 H663 E664 S669 L670 W671 L696 L705I652-L667 HydrophobicContact CG2-CD2 4.09Å; L660-L667 HydrophobicContact CD1-CD1 3.88Å; L660-L667 HydrophobicContact CD2-CD1 3.84Å; L660-L667 HydrophobicContact CG-CD1 4.32Å; H663-L667 PolarHBondContact O-N 2.92Å; H663-L667 VanDerWaalsContact O-N 3.12Å; E664-L667 PolarHBondContact O-N 3.21Å; L667-S669 VanDerWaalsContact C-N 3.25Å; L667-S669 PolarHBondContact O-N 3.28Å; L667-L670 HydrophobicContact CD2-CD1 4.46Å; L667-L670 WeakPolarHBondContact O-CB 3.48Å; L667-L670 PolarHBondContact O-N 3.32Å; L667-W671 PolarHBondContact O-N 3.34Å; L667-L696 HydrophobicContact CD1-CD1 4.28Å; L667-L696 HydrophobicContact CD1-CD2 4.28Å; L667-L696 HydrophobicContact CD2-CD1 4.2Å; L667-L705 HydrophobicContact CB-CD2 3.72Å; L667-L705 HydrophobicContact CD1-CD2 3.88Å; L667-L705 HydrophobicContact CG-CD2 4.45Å
668L89Confident81Confident27 Ų2748.2 Ų48.214%0.14127%0.273CS..Hα-helixtrans-60.2-37.9172.3-80.7167.8000111.6E664 F666 W671 K672 P704 L705 E708E664-L668 HydrophobicContact CG-CD1 4.08Å; E664-L668 HydrophobicContact CG-CG 4.42Å; E664-L668 WeakPolarHBondContact O-CB 3.27Å; E664-L668 WeakPolarHBondContact O-CG 3.48Å; E664-L668 PolarHBondContact O-N 3.41Å; F666-L668 PolarHBondContact O-N 3.39Å; L668-W671 PolarHBondContact O-N 3.08Å; L668-K672 VanDerWaalsContact O-CG 3.31Å; L668-K672 WeakPolarHBondContact O-CG 3.46Å; L668-K672 PolarHBondContact O-N 3.49Å; L668-P704 HydrophobicContact CD1-CB 4.2Å; L668-P704 HydrophobicContact CD1-CG 4.16Å; L668-L705 HydrophobicContact CD2-CB 4.21Å; L668-L705 HydrophobicContact CD2-CD1 4.06Å; L668-L705 HydrophobicContact CG-CB 4.36Å; L668-L705 HydrophobicContact CG-CD1 4.37Å; L668-E708 HydrophobicContact CD2-CG 4.38Å
669S89Confident80.5Confident23 Ų2350.4 Ų50.416%0.16127%0.274CS..Hα-helixtrans-69.1-35.2176.780.20000112.8K635 E665 F666 L667 S673K635-S669 WeakPolarHBondContact CE-OG 3.43Å; K635-S669 PolarHBondContact NZ-OG 2.94Å; E665-S669 WeakPolarHBondContact O-CB 3.1Å; E665-S669 PolarHBondContact O-N 2.79Å; F666-S669 WeakPolarHBondContact O-CB 3.28Å; F666-S669 PolarHBondContact O-N 3.18Å; F666-S669 VanDerWaalsContact O-N 3.12Å; F666-S669 PolarHBondContact O-OG 3.39Å; L667-S669 VanDerWaalsContact C-N 3.25Å; L667-S669 PolarHBondContact O-N 3.28Å; S669-S673 VanDerWaalsContact O-CB 3.3Å; S669-S673 WeakPolarHBondContact O-CB 3.39Å; S669-S673 PolarHBondContact O-N 2.88Å; S669-S673 PolarHBondContact O-OG 3.01Å
670L88.9Confident79.7Confident0 Ų049.7 Ų49.70%027%0.27CS..Hα-helixtrans-65-46.1172.4-70.4-176.4000111.1K635 F638 F639 F666 L667 K672 S673 E674 F693K635-L670 HydrophobicContact CG-CD2 4.41Å; F638-L670 HydrophobicContact CB-CD2 3.84Å; F638-L670 HydrophobicContact CD1-CD1 4.15Å; F638-L670 HydrophobicContact CD1-CD2 4.08Å; F638-L670 HydrophobicContact CD2-CD1 4.16Å; F638-L670 HydrophobicContact CD2-CD2 4.13Å; F638-L670 HydrophobicContact CE1-CD1 4.01Å; F638-L670 HydrophobicContact CE2-CD1 4Å; F638-L670 HydrophobicContact CG-CD1 4.24Å; F638-L670 HydrophobicContact CG-CD2 3.75Å; F638-L670 HydrophobicContact CZ-CD1 3.93Å; F639-L670 HydrophobicContact CZ-CB 4.26Å; F666-L670 HydrophobicContact CD1-CD1 4.31Å; F666-L670 HydrophobicContact CE1-CD1 3.59Å; F666-L670 HydrophobicContact CE1-CG 4.27Å; F666-L670 HydrophobicContact CE2-CD1 4.19Å; F666-L670 HydrophobicContact CE2-CD2 4.17Å; F666-L670 HydrophobicContact CE2-CG 4.1Å; F666-L670 HydrophobicContact CZ-CD1 3.53Å; F666-L670 HydrophobicContact CZ-CD2 4.2Å; F666-L670 HydrophobicContact CZ-CG 3.95Å; F666-L670 PolarHBondContact O-N 3.24Å; L667-L670 HydrophobicContact CD2-CD1 4.46Å; L667-L670 WeakPolarHBondContact O-CB 3.48Å; L667-L670 PolarHBondContact O-N 3.32Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 3.42Å; L670-S673 WeakPolarHBondContact CA-OG 3.39Å; L670-S673 PolarHBondContact O-N 2.91Å; L670-S673 PolarHBondContact O-OG 3.05Å; L670-E674 PolarHBondContact O-N 3.21Å; L670-F693 HydrophobicContact CB-CZ 4.28Å
671W86.7Confident78.9Confident18 Ų1853.1 Ų53.17%0.06829%0.292CS..Hα-helixtrans-54.7-47.5175.8177.6-105.6000111.7L667 L668 S673 E674 H677 F693 L705 E708 I709 H712L667-W671 PolarHBondContact O-N 3.34Å; L668-W671 PolarHBondContact O-N 3.08Å; W671-S673 VanDerWaalsContact C-N 3.35Å; W671-S673 PolarHBondContact O-N 3.23Å; W671-E674 WeakPolarHBondContact O-CB 3.06Å; W671-E674 PolarHBondContact O-N 2.92Å; W671-H677 AromaticContact CE2-CD2 3.97Å; W671-H677 AromaticContact CZ2-CD2 3.78Å; W671-F693 HydrophobicContact CB-CE1 3.95Å; W671-F693 HydrophobicContact CB-CZ 4.01Å; W671-F693 HydrophobicContact CE3-CB 4.12Å; W671-F693 AromaticContact CE3-CD1 3.55Å; W671-F693 HydrophobicContact CE3-CD1 3.55Å; W671-F693 AromaticContact CE3-CD2 3.6Å; W671-F693 HydrophobicContact CE3-CD2 3.6Å; W671-F693 AromaticContact CE3-CE1 3.77Å; W671-F693 HydrophobicContact CE3-CE1 3.77Å; W671-F693 AromaticContact CE3-CE2 3.83Å; W671-F693 HydrophobicContact CE3-CE2 3.83Å; W671-F693 AromaticContact CE3-CG 3.47Å; W671-F693 HydrophobicContact CE3-CG 3.47Å; W671-F693 VanDerWaalsContact CE3-CG 3.47Å; W671-F693 AromaticContact CE3-CZ 3.91Å; W671-F693 HydrophobicContact CE3-CZ 3.91Å; W671-F693 HydrophobicContact CZ3-CB 3.75Å; W671-F693 HydrophobicContact CZ3-CD1 4.09Å; W671-F693 AromaticContact CZ3-CD2 3.78Å; W671-F693 HydrophobicContact CZ3-CD2 3.78Å; W671-F693 HydrophobicContact CZ3-CE2 4.42Å; W671-F693 AromaticContact CZ3-CG 3.6Å; W671-F693 HydrophobicContact CZ3-CG 3.6Å; W671-L705 HydrophobicContact CB-CD1 4.13Å; W671-L705 HydrophobicContact CG-CD1 4.43Å; W671-E708 VanDerWaalsContact CD1-OE2 3.26Å; W671-I709 HydrophobicContact CD2-CG1 4.12Å; W671-I709 HydrophobicContact CE3-CG1 3.95Å; W671-I709 HydrophobicContact CH2-CB 4.16Å; W671-I709 HydrophobicContact CH2-CG1 3.72Å; W671-I709 HydrophobicContact CH2-CG2 4.19Å; W671-I709 HydrophobicContact CZ2-CB 4.26Å; W671-I709 HydrophobicContact CZ2-CG1 3.9Å; W671-I709 HydrophobicContact CZ3-CG1 3.75Å; W671-H712 HydrophobicContact CZ2-CB 3.79Å; W671-H712 AromaticContact CZ2-CG 3.98Å
672K83.6Confident78.2Confident115 Ų11553.5 Ų53.550%0.529%0.29SS..Hα-helixtrans-68.6-30.9179.1-69.2175.2-173-171.30113.8L668 L670 E674 E708L668-K672 VanDerWaalsContact O-CG 3.31Å; L668-K672 WeakPolarHBondContact O-CG 3.46Å; L668-K672 PolarHBondContact O-N 3.49Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 3.42Å; K672-E674 VanDerWaalsContact C-N 3.29Å; K672-E708 WeakPolarHBondContact CE-OE1 3.16Å; K672-E708 VanDerWaalsContact CE-OE2 3.27Å; K672-E708 WeakPolarHBondContact CE-OE2 3.24Å; K672-E708 IonicContact NZ-OE1 3.87Å; K672-E708 PolarHBondContact NZ-OE1 3.46Å
673S77.3Confident77.2Confident59 Ų5950.7 Ų50.741%0.41326%0.259SS..Hα-helixtrans-81-7.2179.971.10000114S669 L670 W671 P675S669-S673 VanDerWaalsContact O-CB 3.3Å; S669-S673 WeakPolarHBondContact O-CB 3.39Å; S669-S673 PolarHBondContact O-N 2.88Å; S669-S673 PolarHBondContact O-OG 3.01Å; L670-S673 WeakPolarHBondContact CA-OG 3.39Å; L670-S673 PolarHBondContact O-N 2.91Å; L670-S673 PolarHBondContact O-OG 3.05Å; W671-S673 VanDerWaalsContact C-N 3.35Å; W671-S673 PolarHBondContact O-N 3.23Å; S673-P675 WeakPolarHBondContact O-CD 3.12Å
674E70Confident76.1Confident10 Ų1054.1 Ų54.15%0.04727%0.274CS..  trans-69.5118.4-166.6-164.1-168.3154.100111.9F639 L670 W671 K672 C676 H677 C689 F693F639-E674 HydrophobicContact CE1-CG 4.46Å; F639-E674 HydrophobicContact CE2-CB 4.17Å; F639-E674 HydrophobicContact CE2-CG 4.18Å; F639-E674 HydrophobicContact CZ-CB 4.32Å; F639-E674 HydrophobicContact CZ-CG 4.04Å; L670-E674 PolarHBondContact O-N 3.21Å; W671-E674 WeakPolarHBondContact O-CB 3.06Å; W671-E674 PolarHBondContact O-N 2.92Å; K672-E674 VanDerWaalsContact C-N 3.29Å; E674-C676 HydrophobicContact CG-CB 4.18Å; E674-C676 PolarHBondContact O-N 3.34Å; E674-C676 WeakPolarHBondContact OE1-CB 3.31Å; E674-H677 HydrophobicContact CB-CB 4Å; E674-H677 HydrophobicContact CG-CB 4.45Å; E674-H677 WeakPolarHBondContact O-CB 3.34Å; E674-H677 PolarHBondContact O-N 3.44Å; E674-C689 HydrophobicContact CG-CB 3.92Å; E674-C689 WeakPolarHBondContact OE1-CB 3.3Å; E674-C689 PolarHBondContact OE1-SG 2.7Å; E674-F693 HydrophobicContact CG-CE2 4.38Å; E674-F693 VanDerWaalsContact OE2-CD2 3.27Å; E674-F693 WeakPolarHBondContact OE2-CD2 3.34Å; E674-F693 WeakPolarHBondContact OE2-CE2 3.34Å
675P60.6Low74.8Confident65 Ų6560 Ų6042%0.42230%0.301SS..Hα-helixtrans-65.6-27.7179.423.9-31.7000111.9S673 H677 N678 H679S673-P675 WeakPolarHBondContact O-CD 3.12Å; P675-H677 VanDerWaalsContact C-N 3.3Å; P675-H677 PolarHBondContact O-N 3.28Å; P675-N678 PolarHBondContact O-N 2.96Å; P675-H679 CarbonylContact O-C 3.49Å; P675-H679 WeakPolarHBondContact O-CA 3.14Å; P675-H679 PolarHBondContact O-N 2.84Å
676C66.9Low73.7Confident5 Ų557.2 Ų57.23%0.03428%0.283CS..Hα-helixtrans-75.5-16.2-178.3-64.70000114.5E674 C683 C687 C689 K730E674-C676 HydrophobicContact CG-CB 4.18Å; E674-C676 PolarHBondContact O-N 3.34Å; E674-C676 WeakPolarHBondContact OE1-CB 3.31Å; C676-C683 HydrophobicContact CB-CB 3.85Å; C676-C683 WeakPolarHBondContact CB-SG 3.13Å; C676-C683 WeakPolarHBondContact SG-CB 3.23Å; C676-C683 CovalentContact SG-SG 2.04Å; C676-C683 PolarHBondContact SG-SG 2.82Å; C676-C687 PolarHBondContact SG-SG 3.27Å; C676-C689 VanDerWaalsContact CB-SG 3.54Å; C676-K730 PolarHBondContact O-NZ 3.43Å
677H64.5Low72.8Confident33 Ų3356.5 Ų56.515%0.15328%0.281CS..Hα-helixtrans-84-33.6175171.1-82.9000111.9W671 E674 P675 H712 R716W671-H677 AromaticContact CE2-CD2 3.97Å; W671-H677 AromaticContact CZ2-CD2 3.78Å; E674-H677 HydrophobicContact CB-CB 4Å; E674-H677 HydrophobicContact CG-CB 4.45Å; E674-H677 WeakPolarHBondContact O-CB 3.34Å; E674-H677 PolarHBondContact O-N 3.44Å; P675-H677 VanDerWaalsContact C-N 3.3Å; P675-H677 PolarHBondContact O-N 3.28Å; H677-H712 AromaticContact CD2-CE1 3.18Å; H677-H712 PolarHBondContact CD2-CE1 3.34Å; H677-H712 AromaticContact CD2-CG 3.87Å; H677-H712 AromaticContact CD2-ND1 3.21Å; H677-H712 PolarHBondContact CD2-ND1 2.97Å; H677-H712 AromaticContact CD2-NE2 3.84Å; H677-H712 AromaticContact CE1-CE1 3.94Å; H677-H712 AromaticContact CE1-ND1 3.7Å; H677-H712 AromaticContact CG-CE1 3.84Å; H677-H712 AromaticContact NE2-CE1 3.24Å; H677-H712 PolarHBondContact NE2-CE1 2.96Å; H677-H712 AromaticContact NE2-CG 3.66Å; H677-H712 AromaticContact NE2-ND1 2.81Å; H677-H712 PolarHBondContact NE2-ND1 3.02Å; H677-R716 PolarHBondContact O-NH1 3.24Å
678N66.2Low72.2Confident76 Ų7657.7 Ų57.741%0.40629%0.286SS..Hα-helixtrans-99.5-33.1-177.3-64.4-29.2000113.2P675P675-N678 PolarHBondContact O-N 2.96Å
679H71Confident72Confident101 Ų10156.4 Ų56.447%0.46828%0.279SS..  trans-134.170.9-176-57.7-58.8000110.8P675 T681 E682 C683P675-H679 CarbonylContact O-C 3.49Å; P675-H679 WeakPolarHBondContact O-CA 3.14Å; P675-H679 PolarHBondContact O-N 2.84Å; H679-T681 PolarHBondContact O-N 2.89Å; H679-T681 VanDerWaalsContact O-N 3.12Å; H679-E682 HydrophobicContact CB-CB 4.13Å; H679-E682 HydrophobicContact CB-CG 4.25Å; H679-E682 PolarHBondContact O-N 3.38Å; H679-E682 VanDerWaalsContact O-N 3.09Å; H679-C683 PolarHBondContact O-N 3.42Å
680P67.3Low71.7Confident3 Ų356.8 Ų56.82%0.01928%0.278CS..THydrogen-bonded Turntrans-59.5-26.2-175.619.8-30.1000114.2C683 E723 C724P680-C683 WeakPolarHBondContact O-CB 3.36Å; P680-E723 VanDerWaalsContact CG-OE2 3.25Å; P680-E723 WeakPolarHBondContact CG-OE2 3.25Å; P680-C724 HydrophobicContact CB-CB 4.33Å
681T66.2Low71.6Confident82 Ų8256.9 Ų56.950%0.50328%0.279SS..THydrogen-bonded Turntrans-69.3-35.6176.547.70000113.2H679 C724 K726H679-T681 PolarHBondContact O-N 2.89Å; H679-T681 VanDerWaalsContact O-N 3.12Å; T681-C724 HydrophobicContact CG2-CB 4.27Å; T681-K726 PolarHBondContact O-NZ 3.44Å
682E64.8Low71.7Confident147 Ų14756 Ų5669%0.68728%0.275SS*.THydrogen-bonded Turntrans-86.8-9.6-179.4-61.3-178.5177.600112.8H679 K684H679-E682 HydrophobicContact CB-CB 4.13Å; H679-E682 HydrophobicContact CB-CG 4.25Å; H679-E682 PolarHBondContact O-N 3.38Å; H679-E682 VanDerWaalsContact O-N 3.09Å; E682-K684 PolarHBondContact O-N 3.14Å
683C64.2Low72.1Confident12 Ų1250.9 Ų50.98%0.08125%0.253CS..  trans-63.3118.4180-174.20000111.2C676 H679 P680 K726C676-C683 HydrophobicContact CB-CB 3.85Å; C676-C683 WeakPolarHBondContact CB-SG 3.13Å; C676-C683 WeakPolarHBondContact SG-CB 3.23Å; C676-C683 CovalentContact SG-SG 2.04Å; C676-C683 PolarHBondContact SG-SG 2.82Å; H679-C683 PolarHBondContact O-N 3.42Å; P680-C683 WeakPolarHBondContact O-CB 3.36Å; C683-K726 PolarHBondContact O-NZ 3.44Å
684K64.8Low72.7Confident104 Ų10448.2 Ų48.245%0.45223%0.234SC..  trans-70.8138.3172.9-64-174.9-179.5-1760109.7L588 E682 R686 C687L588-K684 PolarHBondContact O-NZ 2.86Å; E682-K684 PolarHBondContact O-N 3.14Å; K684-R686 PolarHBondContact O-N 3.16Å; K684-C687 VanDerWaalsContact O-CB 3.27Å; K684-C687 WeakPolarHBondContact O-CB 3.44Å; K684-C687 PolarHBondContact O-N 3.43Å
685Q60Low73.8Confident184 Ų18447.7 Ų47.786%0.8623%0.232SC*.G310 helixtrans-52.6-30.5175.2-90.9178.8-20.700112.9C687Q685-C687 VanDerWaalsContact C-N 3.3Å; Q685-C687 PolarHBondContact O-N 2.97Å
686R65.1Low75.3Confident112 Ų11244.6 Ų44.642%0.42321%0.212SC..G310 helixtrans-75.6-8.5-179.1-62.6-175.1-179.6-163.7-0.1115L588 G592 P593 K684 R688L588-R686 HydrophobicContact CD1-CB 4.43Å; L588-R686 HydrophobicContact CD2-CB 4.33Å; G592-R686 VanDerWaalsContact CA-NH1 3.32Å; P593-R686 PolarHBondContact O-NH1 2.9Å; K684-R686 PolarHBondContact O-N 3.16Å; R686-R688 VanDerWaalsContact C-N 3.27Å; R686-R688 PolarHBondContact O-N 2.98Å
687C70.8Confident76.4Confident9 Ų944.4 Ų44.46%0.06121%0.21CC..G310 helixtrans-66.7-21.2-172.5-173.10000114.1M645 C676 K684 Q685 C689M645-C687 WeakPolarHBondContact CE-O 3.28Å; C676-C687 PolarHBondContact SG-SG 3.27Å; K684-C687 VanDerWaalsContact O-CB 3.27Å; K684-C687 WeakPolarHBondContact O-CB 3.44Å; K684-C687 PolarHBondContact O-N 3.43Å; Q685-C687 VanDerWaalsContact C-N 3.3Å; Q685-C687 PolarHBondContact O-N 2.97Å; C687-C689 PolarHBondContact O-N 2.86Å
688R79.8Confident77.8Confident26 Ų2642.8 Ų42.810%0.09820%0.203CC..  trans45.76174.8-78.9-172.9169.6175.9-2.8118.3D602 M645 N646 R686 H690 I691 L692 N781D602-R688 VanDerWaalsContact CG-NH1 3.32Å; D602-R688 IonicContact OD1-CZ 3.8Å; D602-R688 IonicContact OD1-NH1 2.87Å; D602-R688 PolarHBondContact OD1-NH1 2.9Å; D602-R688 IonicContact OD1-NH2 3.87Å; D602-R688 IonicContact OD2-CZ 2.8Å; D602-R688 IonicContact OD2-NH1 3.49Å; D602-R688 PolarHBondContact OD2-NH1 3.46Å; D602-R688 IonicContact OD2-NH2 3.54Å; D602-R688 PolarHBondContact OD2-NH2 3.48Å; M645-R688 HydrophobicContact CE-CB 3.52Å; N646-R688 PolarHBondContact OD1-NH1 3.43Å; R686-R688 VanDerWaalsContact C-N 3.27Å; R686-R688 PolarHBondContact O-N 2.98Å; R688-H690 VanDerWaalsContact C-N 3.26Å; R688-H690 PolarHBondContact O-N 3.37Å; R688-I691 HydrophobicContact CB-CD1 4.42Å; R688-I691 HydrophobicContact CG-CD1 3.94Å; R688-I691 WeakPolarHBondContact O-CB 3.36Å; R688-I691 PolarHBondContact O-N 2.84Å; R688-L692 PolarHBondContact O-N 2.93Å; R688-N781 PolarHBondContact NH2-OD1 3.32Å
689C83.3Confident79Confident0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-54.3-37.5177540000113.6F639 E674 C676 C687 I691 L692 F693F639-C689 HydrophobicContact CD1-CB 3.94Å; F639-C689 HydrophobicContact CE1-CB 3.64Å; F639-C689 HydrophobicContact CZ-CB 4.46Å; E674-C689 HydrophobicContact CG-CB 3.92Å; E674-C689 WeakPolarHBondContact OE1-CB 3.3Å; E674-C689 PolarHBondContact OE1-SG 2.7Å; C676-C689 VanDerWaalsContact CB-SG 3.54Å; C687-C689 PolarHBondContact O-N 2.86Å; C689-I691 VanDerWaalsContact C-N 3.28Å; C689-I691 PolarHBondContact O-N 3.2Å; C689-L692 WeakPolarHBondContact O-CB 3.45Å; C689-L692 PolarHBondContact O-N 2.63Å; C689-F693 HydrophobicContact CB-CD2 4.45Å; C689-F693 HydrophobicContact CB-CE2 4.4Å; C689-F693 WeakPolarHBondContact O-CD2 3.42Å; C689-F693 PolarHBondContact O-N 3.13Å
690H82.8Confident79.8Confident32 Ų3234.8 Ų34.815%0.14816%0.163CC..Hα-helixtrans-64.7-31.1176.959.9-88.8000112.7R688 S694 K730 Y733R688-H690 VanDerWaalsContact C-N 3.26Å; R688-H690 PolarHBondContact O-N 3.37Å; H690-S694 WeakPolarHBondContact O-CB 3.38Å; H690-S694 PolarHBondContact O-N 3.04Å; H690-S694 PolarHBondContact O-OG 3.01Å; H690-K730 HydrophobicContact CB-CB 3.97Å; H690-K730 HydrophobicContact CB-CG 3.89Å; H690-Y733 AromaticContact CD2-CD2 3.27Å; H690-Y733 WeakPolarHBondContact CD2-CD2 3.32Å; H690-Y733 AromaticContact CD2-CE2 3.54Å; H690-Y733 AromaticContact CD2-CG 3.85Å; H690-Y733 AromaticContact NE2-CD2 3.8Å; H690-Y733 AromaticContact NE2-CE2 3.53Å
691I87.5Confident80.5Confident2 Ų238 Ų381%0.0118%0.181CC..Hα-helixtrans-70.6-44173.8-53-174.7000109.5F653 R688 C689 S694 C695 Y733 N781 E783F653-I691 HydrophobicContact CD2-CG2 4.26Å; F653-I691 HydrophobicContact CE2-CG2 3.76Å; F653-I691 HydrophobicContact CZ-CB 4.28Å; F653-I691 HydrophobicContact CZ-CG2 3.92Å; R688-I691 HydrophobicContact CB-CD1 4.42Å; R688-I691 HydrophobicContact CG-CD1 3.94Å; R688-I691 WeakPolarHBondContact O-CB 3.36Å; R688-I691 PolarHBondContact O-N 2.84Å; C689-I691 VanDerWaalsContact C-N 3.28Å; C689-I691 PolarHBondContact O-N 3.2Å; I691-S694 WeakPolarHBondContact CA-OG 2.97Å; I691-S694 PolarHBondContact O-OG 3.17Å; I691-C695 WeakPolarHBondContact O-CB 3.34Å; I691-C695 PolarHBondContact O-N 3.22Å; I691-C695 PolarHBondContact O-SG 3.44Å; I691-Y733 HydrophobicContact CG1-CD1 4.5Å; I691-Y733 HydrophobicContact CG1-CE1 4.24Å; I691-N781 HydrophobicContact CD1-CB 3.67Å; I691-E783 HydrophobicContact CG2-CG 3.74Å
692L89.8Confident81.2Confident0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-55.5-57.4176178.956.6000111.8F638 F639 I652 F653 R688 C689 C695 L696F638-L692 HydrophobicContact CE1-CD2 4.04Å; F638-L692 HydrophobicContact CZ-CD2 4.41Å; F639-L692 HydrophobicContact CE1-CD2 4.47Å; I652-L692 HydrophobicContact CB-CD1 4.11Å; I652-L692 HydrophobicContact CG2-CD1 3.65Å; F653-L692 HydrophobicContact CD1-CB 4.21Å; F653-L692 HydrophobicContact CD1-CD1 3.6Å; F653-L692 HydrophobicContact CE1-CB 3.58Å; F653-L692 HydrophobicContact CE1-CD1 3.62Å; F653-L692 HydrophobicContact CE1-CG 4.17Å; R688-L692 PolarHBondContact O-N 2.93Å; C689-L692 WeakPolarHBondContact O-CB 3.45Å; C689-L692 PolarHBondContact O-N 2.63Å; L692-C695 PolarHBondContact O-N 3.38Å; L692-L696 HydrophobicContact CD1-CD1 3.76Å; L692-L696 HydrophobicContact CD1-CG 4.2Å; L692-L696 HydrophobicContact CG-CD1 3.97Å; L692-L696 WeakPolarHBondContact O-CB 3.27Å; L692-L696 VanDerWaalsContact O-CG 3.32Å; L692-L696 WeakPolarHBondContact O-CG 3.45Å; L692-L696 PolarHBondContact O-N 2.68Å
693F90.2Very high82.2Confident7 Ų732.1 Ų32.13%0.03116%0.161CC..Hα-helixtrans-76.1-25-173-65-63.8000113.1F639 L670 W671 E674 C689 L696 A697 I709F639-F693 HydrophobicContact CE1-CE2 4.37Å; F639-F693 HydrophobicContact CZ-CE2 4.06Å; F639-F693 HydrophobicContact CZ-CZ 4.28Å; L670-F693 HydrophobicContact CB-CZ 4.28Å; W671-F693 HydrophobicContact CB-CE1 3.95Å; W671-F693 HydrophobicContact CB-CZ 4.01Å; W671-F693 HydrophobicContact CE3-CB 4.12Å; W671-F693 AromaticContact CE3-CD1 3.55Å; W671-F693 HydrophobicContact CE3-CD1 3.55Å; W671-F693 AromaticContact CE3-CD2 3.6Å; W671-F693 HydrophobicContact CE3-CD2 3.6Å; W671-F693 AromaticContact CE3-CE1 3.77Å; W671-F693 HydrophobicContact CE3-CE1 3.77Å; W671-F693 AromaticContact CE3-CE2 3.83Å; W671-F693 HydrophobicContact CE3-CE2 3.83Å; W671-F693 AromaticContact CE3-CG 3.47Å; W671-F693 HydrophobicContact CE3-CG 3.47Å; W671-F693 VanDerWaalsContact CE3-CG 3.47Å; W671-F693 AromaticContact CE3-CZ 3.91Å; W671-F693 HydrophobicContact CE3-CZ 3.91Å; W671-F693 HydrophobicContact CZ3-CB 3.75Å; W671-F693 HydrophobicContact CZ3-CD1 4.09Å; W671-F693 AromaticContact CZ3-CD2 3.78Å; W671-F693 HydrophobicContact CZ3-CD2 3.78Å; W671-F693 HydrophobicContact CZ3-CE2 4.42Å; W671-F693 AromaticContact CZ3-CG 3.6Å; W671-F693 HydrophobicContact CZ3-CG 3.6Å; E674-F693 HydrophobicContact CG-CE2 4.38Å; E674-F693 VanDerWaalsContact OE2-CD2 3.27Å; E674-F693 WeakPolarHBondContact OE2-CD2 3.34Å; E674-F693 WeakPolarHBondContact OE2-CE2 3.34Å; C689-F693 HydrophobicContact CB-CD2 4.45Å; C689-F693 HydrophobicContact CB-CE2 4.4Å; C689-F693 WeakPolarHBondContact O-CD2 3.42Å; C689-F693 PolarHBondContact O-N 3.13Å; F693-L696 HydrophobicContact CD1-CD1 4.02Å; F693-L696 HydrophobicContact CE1-CD1 4.29Å; F693-A697 WeakPolarHBondContact O-CB 3.4Å; F693-A697 PolarHBondContact O-N 2.94Å; F693-I709 HydrophobicContact CB-CD1 4.35Å; F693-I709 HydrophobicContact CD1-CD1 4.3Å
694S90.9Very high83.3Confident2 Ų234.6 Ų34.61%0.01418%0.177CC..Hα-helixtrans-68.9-44.3169.257.70000112H690 I691 L696 A697 H698 Y733 A737H690-S694 WeakPolarHBondContact O-CB 3.38Å; H690-S694 PolarHBondContact O-N 3.04Å; H690-S694 PolarHBondContact O-OG 3.01Å; I691-S694 WeakPolarHBondContact CA-OG 2.97Å; I691-S694 PolarHBondContact O-OG 3.17Å; S694-L696 PolarHBondContact O-N 2.91Å; S694-A697 PolarHBondContact O-N 3.35Å; S694-H698 PolarHBondContact O-N 2.92Å; S694-Y733 WeakPolarHBondContact CB-O 3.49Å; S694-A737 WeakPolarHBondContact O-CB 3.46Å
695C92.5Very high84.5Confident0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-62.7-43.2175.2-67.90000111.6F653 I691 L692 H698 N699F653-C695 HydrophobicContact CB-CB 3.82Å; F653-C695 HydrophobicContact CD1-CB 4.38Å; F653-C695 HydrophobicContact CG-CB 4.21Å; I691-C695 WeakPolarHBondContact O-CB 3.34Å; I691-C695 PolarHBondContact O-N 3.22Å; I691-C695 PolarHBondContact O-SG 3.44Å; L692-C695 PolarHBondContact O-N 3.38Å; C695-H698 WeakPolarHBondContact O-CB 3.33Å; C695-H698 PolarHBondContact O-N 2.96Å; C695-H698 VanDerWaalsContact O-N 3.16Å; C695-N699 WeakPolarHBondContact O-CB 3.47Å; C695-N699 PolarHBondContact O-N 2.9Å; C695-N699 PolarHBondContact O-ND2 3.39Å
696L92.1Very high85.9Confident0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-63.5-44.1174.9-70.6172.7000111.9I652 L660 L667 L692 F693 S694 H698 N699 I700 L705I652-L696 HydrophobicContact CG2-CD1 4.46Å; I652-L696 HydrophobicContact CG2-CD2 4.14Å; L660-L696 HydrophobicContact CD1-CD2 3.6Å; L667-L696 HydrophobicContact CD1-CD1 4.28Å; L667-L696 HydrophobicContact CD1-CD2 4.28Å; L667-L696 HydrophobicContact CD2-CD1 4.2Å; L692-L696 HydrophobicContact CD1-CD1 3.76Å; L692-L696 HydrophobicContact CD1-CG 4.2Å; L692-L696 HydrophobicContact CG-CD1 3.97Å; L692-L696 WeakPolarHBondContact O-CB 3.27Å; L692-L696 VanDerWaalsContact O-CG 3.32Å; L692-L696 WeakPolarHBondContact O-CG 3.45Å; L692-L696 PolarHBondContact O-N 2.68Å; F693-L696 HydrophobicContact CD1-CD1 4.02Å; F693-L696 HydrophobicContact CE1-CD1 4.29Å; S694-L696 PolarHBondContact O-N 2.91Å; L696-H698 PolarHBondContact O-N 2.83Å; L696-N699 PolarHBondContact O-N 3.45Å; L696-I700 HydrophobicContact CB-CD1 4.06Å; L696-I700 HydrophobicContact CD2-CD1 4.19Å; L696-I700 WeakPolarHBondContact O-CB 3.28Å; L696-I700 VanDerWaalsContact O-CG1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.22Å; L696-I700 PolarHBondContact O-N 2.82Å; L696-L705 HydrophobicContact CD1-CD2 4.25Å
697A91.4Very high87.1Confident0 Ų020.8 Ų20.80%012%0.123CC..Hα-helixtrans-62.1-24.3174.800000112.8F693 S694 L706 I709 L734 R741F693-A697 WeakPolarHBondContact O-CB 3.4Å; F693-A697 PolarHBondContact O-N 2.94Å; S694-A697 PolarHBondContact O-N 3.35Å; A697-L706 HydrophobicContact CB-CD1 4.15Å; A697-I709 HydrophobicContact CB-CD1 4.41Å; A697-I709 HydrophobicContact CB-CG2 4.31Å; A697-L734 HydrophobicContact CB-CD1 3.85Å; A697-R741 PolarHBondContact O-NH1 2.92Å
698H93.1Very high88Confident0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-79.7-46.7172.1-17681.4000112.7S694 C695 L696 A737 R741 Y785 R787S694-H698 PolarHBondContact O-N 2.92Å; C695-H698 WeakPolarHBondContact O-CB 3.33Å; C695-H698 PolarHBondContact O-N 2.96Å; C695-H698 VanDerWaalsContact O-N 3.16Å; L696-H698 PolarHBondContact O-N 2.83Å; H698-A737 HydrophobicContact CB-CB 3.95Å; H698-A737 PolarHBondContact ND1-O 2.97Å; H698-R741 PolarHBondContact O-NH1 3.4Å; H698-Y785 HydrophobicContact CB-CD1 3.9Å; H698-Y785 HydrophobicContact CB-CE1 4.37Å; H698-Y785 VanDerWaalsContact CD2-CA 3.49Å; H698-Y785 WeakPolarHBondContact CD2-CA 3.33Å; H698-Y785 AromaticContact CD2-CD1 3.75Å; H698-Y785 AromaticContact CG-CD1 3.65Å; H698-R787 PolarHBondContact CE1-O 2.97Å; H698-R787 VanDerWaalsContact CE1-O 3.26Å; H698-R787 VanDerWaalsContact NE2-C 3.29Å; H698-R787 PolarHBondContact NE2-N 2.94Å; H698-R787 PolarHBondContact NE2-O 3.11Å
699N90.8Very high88.4Confident0 Ų022.3 Ų22.30%013%0.13CC..Hα-helixtrans-85.4-18.7-168-69.4-34.4000114.7F653 A655 A657 C695 L696 C784 R786F653-N699 PolarHBondContact O-ND2 2.83Å; A655-N699 VanDerWaalsContact O-CB 3.26Å; A655-N699 WeakPolarHBondContact O-CB 3.35Å; A657-N699 PolarHBondContact N-O 3.42Å; C695-N699 WeakPolarHBondContact O-CB 3.47Å; C695-N699 PolarHBondContact O-N 2.9Å; C695-N699 PolarHBondContact O-ND2 3.39Å; L696-N699 PolarHBondContact O-N 3.45Å; N699-C784 PolarHBondContact ND2-O 3.42Å; N699-R786 WeakPolarHBondContact OD1-CB 3.46Å; N699-R786 WeakPolarHBondContact OD1-CG 3.18Å; N699-R786 PolarHBondContact OD1-N 3.3Å
700I88.2Confident88.7Confident8 Ų823.6 Ų23.64%0.04114%0.137CC..  trans-89.4134.4179.1-63.2171000111.1L660 L696 L705 L706 R741L660-I700 HydrophobicContact CD1-CD1 3.97Å; L660-I700 HydrophobicContact CD1-CG1 4.03Å; L696-I700 HydrophobicContact CB-CD1 4.06Å; L696-I700 HydrophobicContact CD2-CD1 4.19Å; L696-I700 WeakPolarHBondContact O-CB 3.28Å; L696-I700 VanDerWaalsContact O-CG1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.22Å; L696-I700 PolarHBondContact O-N 2.82Å; I700-L705 HydrophobicContact CD1-CD2 3.72Å; I700-L706 HydrophobicContact CG2-CB 4.33Å; I700-R741 PolarHBondContact O-NH1 3.24Å; I700-R741 PolarHBondContact O-NH2 2.85Å; I700-R741 VanDerWaalsContact O-NH2 3.13Å
701D81.4Confident88.9Confident72 Ų7226.9 Ų26.939%0.38516%0.155SC..  trans-76.1-48.6-179.9-81.8-35.5000113.9A657 R741 R787A657-D701 HydrophobicContact CB-CB 4.43Å; D701-R741 IonicContact OD1-NH2 2.68Å; D701-R787 VanDerWaalsContact CG-NH2 3.26Å; D701-R787 IonicContact OD1-CZ 2.79Å; D701-R787 IonicContact OD1-NE 2.72Å; D701-R787 IonicContact OD1-NH1 3.71Å; D701-R787 PolarHBondContact OD1-NH1 3.18Å; D701-R787 IonicContact OD1-NH2 2.76Å; D701-R787 PolarHBondContact OD1-NH2 3.47Å; D701-R787 IonicContact OD2-CZ 3.82Å; D701-R787 IonicContact OD2-NH1 2.64Å; D701-R787 PolarHBondContact OD2-NH1 3.36Å; D701-R787 IonicContact OD2-NH2 3.16Å; D701-R787 PolarHBondContact OD2-NH2 3.36Å
702S82.5Confident88.7Confident89 Ų8928.3 Ų28.362%0.62216%0.161SC*.SBendtrans-163.4157.2-171.854.60000107.8
703G84.5Confident88.2Confident16 Ų1629.1 Ų29.117%0.16516%0.164CC..SBendtrans141.8162.5175.100000111.7L705 L706 D707G703-L705 PolarHBondContact O-N 3.28Å; G703-L705 VanDerWaalsContact O-N 3.09Å; G703-L706 PolarHBondContact O-N 3.45Å; G703-D707 PolarHBondContact O-N 3.24Å
704P87.8Confident87.7Confident64 Ų6431.8 Ų31.842%0.41619%0.188SC..Hα-helixtrans-55.4-30-176.420.8-34.4000113.8E664 L668 E708E664-P704 VanDerWaalsContact CD-CD 3.47Å; E664-P704 HydrophobicContact CG-CG 4.14Å; E664-P704 WeakPolarHBondContact OE1-CD 3.47Å; E664-P704 VanDerWaalsContact OE1-CG 3.23Å; E664-P704 WeakPolarHBondContact OE1-CG 3.34Å; E664-P704 WeakPolarHBondContact OE2-CD 3.35Å; E664-P704 WeakPolarHBondContact OE2-CG 3.26Å; L668-P704 HydrophobicContact CD1-CB 4.2Å; L668-P704 HydrophobicContact CD1-CG 4.16Å; P704-E708 WeakPolarHBondContact O-CB 3.33Å; P704-E708 PolarHBondContact O-N 3.43Å
705L89.1Confident87.3Confident1 Ų137.3 Ų37.31%0.00522%0.218CC..Hα-helixtrans-65.9-48.9175.1-179.364.3000112.2E664 L667 L668 W671 L696 I700 G703 D707 E708 I709E664-L705 HydrophobicContact CG-CB 4.37Å; E664-L705 PolarHBondContact OE1-N 3.35Å; L667-L705 HydrophobicContact CB-CD2 3.72Å; L667-L705 HydrophobicContact CD1-CD2 3.88Å; L667-L705 HydrophobicContact CG-CD2 4.45Å; L668-L705 HydrophobicContact CD2-CB 4.21Å; L668-L705 HydrophobicContact CD2-CD1 4.06Å; L668-L705 HydrophobicContact CG-CB 4.36Å; L668-L705 HydrophobicContact CG-CD1 4.37Å; W671-L705 HydrophobicContact CB-CD1 4.13Å; W671-L705 HydrophobicContact CG-CD1 4.43Å; L696-L705 HydrophobicContact CD1-CD2 4.25Å; I700-L705 HydrophobicContact CD1-CD2 3.72Å; G703-L705 PolarHBondContact O-N 3.28Å; G703-L705 VanDerWaalsContact O-N 3.09Å; L705-D707 VanDerWaalsContact C-N 3.29Å; L705-D707 PolarHBondContact O-N 2.81Å; L705-E708 PolarHBondContact O-N 3.11Å; L705-I709 HydrophobicContact CD1-CD1 4.27Å; L705-I709 HydrophobicContact CG-CD1 4.07Å; L705-I709 VanDerWaalsContact O-CG1 3.26Å; L705-I709 WeakPolarHBondContact O-CG1 3.33Å; L705-I709 PolarHBondContact O-N 3.24Å
706L89.9Confident86.7Confident8 Ų839.9 Ų39.94%0.04223%0.227CC..Hα-helixtrans-63.8-40.5177.7179.261.5000110.3A697 I700 G703 I709 L710A697-L706 HydrophobicContact CB-CD1 4.15Å; I700-L706 HydrophobicContact CG2-CB 4.33Å; G703-L706 PolarHBondContact O-N 3.45Å; L706-I709 PolarHBondContact O-N 2.72Å; L706-L710 HydrophobicContact CD1-CD1 4.01Å; L706-L710 HydrophobicContact CD1-CD2 4.46Å; L706-L710 HydrophobicContact CD1-CG 3.99Å; L706-L710 HydrophobicContact CG-CD1 3.9Å; L706-L710 HydrophobicContact CG-CG 4.28Å; L706-L710 WeakPolarHBondContact O-CB 3.41Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.44Å; L706-L710 PolarHBondContact O-N 3.33Å
707D90.4Very high86.2Confident100 Ų10040.2 Ų40.254%0.53523%0.229SC..Hα-helixtrans-61.7-45.1177.7-64.1-24.1000111.6G703 L705 L710 L711G703-D707 PolarHBondContact O-N 3.24Å; L705-D707 VanDerWaalsContact C-N 3.29Å; L705-D707 PolarHBondContact O-N 2.81Å; D707-L710 PolarHBondContact O-N 3.31Å; D707-L711 WeakPolarHBondContact O-CB 3.48Å; D707-L711 PolarHBondContact O-N 2.9Å
708E89.3Confident85.7Confident63 Ų6344.3 Ų44.329%0.29425%0.248SC..Hα-helixtrans-64-39.6175.4-82.3-152.1-166.100112.3L668 W671 K672 P704 L705 H712L668-E708 HydrophobicContact CD2-CG 4.38Å; W671-E708 VanDerWaalsContact CD1-OE2 3.26Å; K672-E708 WeakPolarHBondContact CE-OE1 3.16Å; K672-E708 VanDerWaalsContact CE-OE2 3.27Å; K672-E708 WeakPolarHBondContact CE-OE2 3.24Å; K672-E708 IonicContact NZ-OE1 3.87Å; K672-E708 PolarHBondContact NZ-OE1 3.46Å; P704-E708 WeakPolarHBondContact O-CB 3.33Å; P704-E708 PolarHBondContact O-N 3.43Å; L705-E708 PolarHBondContact O-N 3.11Å; E708-H712 VanDerWaalsContact O-CB 3.25Å; E708-H712 WeakPolarHBondContact O-CB 3.47Å; E708-H712 PolarHBondContact O-N 3.16Å
709I88.4Confident85.2Confident4 Ų448.1 Ų48.12%0.02127%0.266CS..Hα-helixtrans-62.1-48.5176.6-67.3165.7000110.8W671 F693 A697 L705 L706 W713 L734W671-I709 HydrophobicContact CD2-CG1 4.12Å; W671-I709 HydrophobicContact CE3-CG1 3.95Å; W671-I709 HydrophobicContact CH2-CB 4.16Å; W671-I709 HydrophobicContact CH2-CG1 3.72Å; W671-I709 HydrophobicContact CH2-CG2 4.19Å; W671-I709 HydrophobicContact CZ2-CB 4.26Å; W671-I709 HydrophobicContact CZ2-CG1 3.9Å; W671-I709 HydrophobicContact CZ3-CG1 3.75Å; F693-I709 HydrophobicContact CB-CD1 4.35Å; F693-I709 HydrophobicContact CD1-CD1 4.3Å; A697-I709 HydrophobicContact CB-CD1 4.41Å; A697-I709 HydrophobicContact CB-CG2 4.31Å; L705-I709 HydrophobicContact CD1-CD1 4.27Å; L705-I709 HydrophobicContact CG-CD1 4.07Å; L705-I709 VanDerWaalsContact O-CG1 3.26Å; L705-I709 WeakPolarHBondContact O-CG1 3.33Å; L705-I709 PolarHBondContact O-N 3.24Å; L706-I709 PolarHBondContact O-N 2.72Å; I709-W713 PolarHBondContact O-N 2.54Å; I709-W713 VanDerWaalsContact O-N 3.16Å; I709-L734 HydrophobicContact CG2-CD1 4.05Å
710L89.1Confident84.6Confident27 Ų2748.7 Ų48.714%0.14127%0.269CS..Hα-helixtrans-69.4-38.2-179.1-65.8177.6000111.8L706 D707 W713 A714 L738 V745L706-L710 HydrophobicContact CD1-CD1 4.01Å; L706-L710 HydrophobicContact CD1-CD2 4.46Å; L706-L710 HydrophobicContact CD1-CG 3.99Å; L706-L710 HydrophobicContact CG-CD1 3.9Å; L706-L710 HydrophobicContact CG-CG 4.28Å; L706-L710 WeakPolarHBondContact O-CB 3.41Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.44Å; L706-L710 PolarHBondContact O-N 3.33Å; D707-L710 PolarHBondContact O-N 3.31Å; L710-W713 PolarHBondContact O-N 3.26Å; L710-A714 WeakPolarHBondContact O-CB 3.41Å; L710-A714 PolarHBondContact O-N 3.05Å; L710-L738 HydrophobicContact CD2-CD1 3.95Å; L710-L738 HydrophobicContact CD2-CD2 4.22Å; L710-V745 HydrophobicContact CD2-CB 4.22Å; L710-V745 HydrophobicContact CD2-CG1 4.11Å; L710-V745 HydrophobicContact CD2-CG2 4.17Å
711L87Confident84.2Confident101 Ų10148.4 Ų48.453%0.52927%0.268SS..Hα-helixtrans-66.6-41.7177.1-173.571.9000111.5D707 W713 A714 N715D707-L711 WeakPolarHBondContact O-CB 3.48Å; D707-L711 PolarHBondContact O-N 2.9Å; L711-W713 VanDerWaalsContact C-N 3.31Å; L711-W713 PolarHBondContact O-N 3.39Å; L711-A714 PolarHBondContact O-N 3.34Å; L711-N715 WeakPolarHBondContact CG-ND2 3.15Å; L711-N715 WeakPolarHBondContact O-CB 3.49Å; L711-N715 PolarHBondContact O-N 3.5Å; L711-N715 PolarHBondContact O-ND2 2.56Å
712H84.2Confident84.1Confident32 Ų3254.2 Ų54.215%0.14828%0.284CS..Hα-helixtrans-56.5-48.9173.7174.586.7000110.7W671 H677 E708 R716W671-H712 HydrophobicContact CZ2-CB 3.79Å; W671-H712 AromaticContact CZ2-CG 3.98Å; H677-H712 AromaticContact CD2-CE1 3.18Å; H677-H712 PolarHBondContact CD2-CE1 3.34Å; H677-H712 AromaticContact CD2-CG 3.87Å; H677-H712 AromaticContact CD2-ND1 3.21Å; H677-H712 PolarHBondContact CD2-ND1 2.97Å; H677-H712 AromaticContact CD2-NE2 3.84Å; H677-H712 AromaticContact CE1-CE1 3.94Å; H677-H712 AromaticContact CE1-ND1 3.7Å; H677-H712 AromaticContact CG-CE1 3.84Å; H677-H712 AromaticContact NE2-CE1 3.24Å; H677-H712 PolarHBondContact NE2-CE1 2.96Å; H677-H712 AromaticContact NE2-CG 3.66Å; H677-H712 AromaticContact NE2-ND1 2.81Å; H677-H712 PolarHBondContact NE2-ND1 3.02Å; E708-H712 VanDerWaalsContact O-CB 3.25Å; E708-H712 WeakPolarHBondContact O-CB 3.47Å; E708-H712 PolarHBondContact O-N 3.16Å; H712-R716 WeakPolarHBondContact O-CB 3.49Å; H712-R716 PolarHBondContact O-N 3.38Å
713W80Confident83.7Confident17 Ų1754 Ų546%0.06427%0.274CS..Hα-helixtrans-60.6-50.9175.9171.478.7000111.9I709 L710 L711 N715 R716 C717 L734 V745 T748 L749 R752I709-W713 PolarHBondContact O-N 2.54Å; I709-W713 VanDerWaalsContact O-N 3.16Å; L710-W713 PolarHBondContact O-N 3.26Å; L711-W713 VanDerWaalsContact C-N 3.31Å; L711-W713 PolarHBondContact O-N 3.39Å; W713-N715 PolarHBondContact O-N 3.22Å; W713-R716 PolarHBondContact O-N 2.69Å; W713-C717 PolarHBondContact NE1-SG 2.79Å; W713-C717 VanDerWaalsContact O-CB 3.22Å; W713-C717 WeakPolarHBondContact O-CB 3.43Å; W713-C717 PolarHBondContact O-N 2.99Å; W713-L734 HydrophobicContact CB-CD2 4.36Å; W713-V745 HydrophobicContact CD2-CG1 3.49Å; W713-V745 VanDerWaalsContact CD2-CG1 3.49Å; W713-V745 HydrophobicContact CE3-CB 4.22Å; W713-V745 HydrophobicContact CE3-CG1 3.28Å; W713-V745 HydrophobicContact CE3-CG2 3.99Å; W713-V745 HydrophobicContact CG-CG1 4.27Å; W713-V745 HydrophobicContact CH2-CB 4.18Å; W713-V745 HydrophobicContact CH2-CG1 3.64Å; W713-V745 HydrophobicContact CH2-CG2 4.23Å; W713-V745 HydrophobicContact CZ2-CG1 3.85Å; W713-V745 HydrophobicContact CZ3-CB 3.93Å; W713-V745 HydrophobicContact CZ3-CG1 3.39Å; W713-V745 HydrophobicContact CZ3-CG2 3.59Å; W713-T748 HydrophobicContact CH2-CG2 4.48Å; W713-L749 HydrophobicContact CZ2-CD2 4.29Å; W713-L749 HydrophobicContact CZ2-CG 3.82Å; W713-L749 VanDerWaalsContact NE1-CG 3.27Å; W713-R752 VanDerWaalsContact CH2-NH1 3.26Å
714A79.4Confident83.3Confident64 Ų6454 Ų5453%0.52927%0.271SS..Hα-helixtrans-58.9-36.6-175.500000112.5L710 L711L710-A714 WeakPolarHBondContact O-CB 3.41Å; L710-A714 PolarHBondContact O-N 3.05Å; L711-A714 PolarHBondContact O-N 3.34Å
715N81.3Confident82.8Confident118 Ų11853.6 Ų53.663%0.63127%0.269SS*.Hα-helixtrans-87.2-28.5-176.8-68.1-24.9000113.9L711 W713L711-N715 WeakPolarHBondContact CG-ND2 3.15Å; L711-N715 WeakPolarHBondContact O-CB 3.49Å; L711-N715 PolarHBondContact O-N 3.5Å; L711-N715 PolarHBondContact O-ND2 2.56Å; W713-N715 PolarHBondContact O-N 3.22Å
716R81.4Confident82.2Confident54 Ų5457.8 Ų57.820%0.20429%0.287CS..Hα-helixtrans-121.7-1-168-58-170.871.8-156.4-2.6115.2H677 H712 W713 E718 E719 L720H677-R716 PolarHBondContact O-NH1 3.24Å; H712-R716 WeakPolarHBondContact O-CB 3.49Å; H712-R716 PolarHBondContact O-N 3.38Å; W713-R716 PolarHBondContact O-N 2.69Å; R716-E718 VanDerWaalsContact C-N 3.31Å; R716-E718 PolarHBondContact O-N 2.97Å; R716-E719 IonicContact CZ-OE1 2.76Å; R716-E719 IonicContact CZ-OE2 3.66Å; R716-E719 IonicContact NE-OE1 3.34Å; R716-E719 PolarHBondContact NE-OE1 3.23Å; R716-E719 IonicContact NE-OE2 3.62Å; R716-E719 PolarHBondContact NE-OE2 3.16Å; R716-E719 IonicContact NH2-OE1 2.85Å; R716-E719 PolarHBondContact NH2-OE1 3.45Å; R716-E719 IonicContact NH2-OE2 3.49Å; R716-E719 WeakPolarHBondContact O-CB 3.26Å; R716-E719 PolarHBondContact O-N 2.97Å; R716-L720 HydrophobicContact CB-CD1 4.14Å; R716-L720 HydrophobicContact CB-CG 4.18Å; R716-L720 WeakPolarHBondContact O-CB 3.41Å; R716-L720 VanDerWaalsContact O-CG 3.27Å; R716-L720 WeakPolarHBondContact O-CG 3.46Å; R716-L720 PolarHBondContact O-N 2.8Å
717C80.6Confident81.9Confident6 Ų657.6 Ų57.64%0.04129%0.287CS..Hα-helixtrans-51.8-47-175.7-169.60000113.4W713 L720 F721W713-C717 PolarHBondContact NE1-SG 2.79Å; W713-C717 VanDerWaalsContact O-CB 3.22Å; W713-C717 WeakPolarHBondContact O-CB 3.43Å; W713-C717 PolarHBondContact O-N 2.99Å; C717-L720 PolarHBondContact O-N 2.69Å; C717-F721 WeakPolarHBondContact O-CD2 3.43Å; C717-F721 WeakPolarHBondContact O-CG 3.17Å; C717-F721 PolarHBondContact O-N 3.29Å; C717-F721 VanDerWaalsContact O-N 3.15Å; C717-F721 WeakPolarHBondContact SG-CE2 3.5Å
718E81.4Confident81.7Confident86 Ų8652.8 Ų52.840%0.40226%0.261SS..Hα-helixtrans-68.4-34.7179.4-70.7-63149.800113.4R716 R722R716-E718 VanDerWaalsContact C-N 3.31Å; R716-E718 PolarHBondContact O-N 2.97Å; E718-R722 WeakPolarHBondContact O-CG 3.37Å
719E81.8Confident81.5Confident81 Ų8151.8 Ų51.838%0.37926%0.259SS..Hα-helixtrans-65.9-49.3175.4-172.7-168.5159.100109.8R716 F721 R722 E723R716-E719 IonicContact CZ-OE1 2.76Å; R716-E719 IonicContact CZ-OE2 3.66Å; R716-E719 IonicContact NE-OE1 3.34Å; R716-E719 PolarHBondContact NE-OE1 3.23Å; R716-E719 IonicContact NE-OE2 3.62Å; R716-E719 PolarHBondContact NE-OE2 3.16Å; R716-E719 IonicContact NH2-OE1 2.85Å; R716-E719 PolarHBondContact NH2-OE1 3.45Å; R716-E719 IonicContact NH2-OE2 3.49Å; R716-E719 WeakPolarHBondContact O-CB 3.26Å; R716-E719 PolarHBondContact O-N 2.97Å; E719-F721 VanDerWaalsContact C-N 3.34Å; E719-F721 PolarHBondContact O-N 2.99Å; E719-R722 WeakPolarHBondContact O-CB 3.35Å; E719-R722 PolarHBondContact O-N 3.25Å; E719-E723 PolarHBondContact O-N 3.1Å; E719-E723 VanDerWaalsContact O-N 3.09Å
720L78.6Confident81.3Confident12 Ų1253.3 Ų53.36%0.06327%0.266CS..Hα-helixtrans-60.5-39.6-178.8-69169.3000112.7R716 C717 R722 E723 C727R716-L720 HydrophobicContact CB-CD1 4.14Å; R716-L720 HydrophobicContact CB-CG 4.18Å; R716-L720 WeakPolarHBondContact O-CB 3.41Å; R716-L720 VanDerWaalsContact O-CG 3.27Å; R716-L720 WeakPolarHBondContact O-CG 3.46Å; R716-L720 PolarHBondContact O-N 2.8Å; C717-L720 PolarHBondContact O-N 2.69Å; L720-R722 PolarHBondContact O-N 2.88Å; L720-E723 PolarHBondContact O-N 3.17Å; L720-C727 HydrophobicContact CB-CB 4.31Å; L720-C727 WeakPolarHBondContact O-CB 3.25Å; L720-C727 PolarHBondContact O-SG 3.38Å; L720-C727 VanDerWaalsContact O-SG 3.39Å
721F80.8Confident81.3Confident1 Ų152.5 Ų52.50%0.00426%0.262CS..Hα-helixtrans-65.6-25.1175.6-73.3-46.7000113.5C717 E719 Y728 L731 R752 F753 H756 R762C717-F721 WeakPolarHBondContact O-CD2 3.43Å; C717-F721 WeakPolarHBondContact O-CG 3.17Å; C717-F721 PolarHBondContact O-N 3.29Å; C717-F721 VanDerWaalsContact O-N 3.15Å; C717-F721 WeakPolarHBondContact SG-CE2 3.5Å; E719-F721 VanDerWaalsContact C-N 3.34Å; E719-F721 PolarHBondContact O-N 2.99Å; F721-Y728 HydrophobicContact CD1-CD1 4.18Å; F721-Y728 HydrophobicContact CD1-CD2 4.1Å; F721-Y728 AromaticContact CD1-CE1 3.84Å; F721-Y728 HydrophobicContact CD1-CE1 3.84Å; F721-Y728 AromaticContact CD1-CE2 3.74Å; F721-Y728 HydrophobicContact CD1-CE2 3.74Å; F721-Y728 HydrophobicContact CD1-CG 4.32Å; F721-Y728 AromaticContact CD1-CZ 3.61Å; F721-Y728 AromaticContact CE1-CD1 3.92Å; F721-Y728 HydrophobicContact CE1-CD1 3.92Å; F721-Y728 AromaticContact CE1-CE1 3.84Å; F721-Y728 HydrophobicContact CE1-CE1 3.84Å; F721-Y728 HydrophobicContact CE1-CE2 4.44Å; F721-Y728 HydrophobicContact CE1-CG 4.29Å; F721-L731 HydrophobicContact CD1-CD1 3.87Å; F721-L731 HydrophobicContact CE1-CD1 3.3Å; F721-L731 HydrophobicContact CE2-CD1 4.3Å; F721-L731 HydrophobicContact CZ-CD1 3.55Å; F721-R752 HydrophobicContact CE2-CB 4.17Å; F721-R752 HydrophobicContact CE2-CG 4.33Å; F721-R752 HydrophobicContact CZ-CB 4.49Å; F721-F753 HydrophobicContact CE1-CD1 4.38Å; F721-F753 AromaticContact CE1-CE1 3.92Å; F721-F753 HydrophobicContact CE1-CE1 3.92Å; F721-F753 HydrophobicContact CZ-CD1 4.19Å; F721-F753 AromaticContact CZ-CE1 3.83Å; F721-F753 HydrophobicContact CZ-CE1 3.83Å; F721-H756 AromaticContact CD2-CE1 3.62Å; F721-H756 AromaticContact CD2-NE2 3.75Å; F721-H756 AromaticContact CG-CE1 3.73Å; F721-R762 PolarHBondContact O-NH1 3.36Å; F721-R762 PolarHBondContact O-NH2 3.24Å; F721-R762 VanDerWaalsContact O-NH2 3.1Å
722R79.2Confident81.5Confident194 Ų19447.7 Ų47.773%0.73224%0.236SC*.Hα-helixtrans-85.1-33.9178.1-68.7176.2-166.5-174.44.2112.6E718 E719 L720E718-R722 WeakPolarHBondContact O-CG 3.37Å; E719-R722 WeakPolarHBondContact O-CB 3.35Å; E719-R722 PolarHBondContact O-N 3.25Å; L720-R722 PolarHBondContact O-N 2.88Å
723E74.2Confident81.8Confident86 Ų8647.5 Ų47.540%0.40223%0.234SC..Hα-helixtrans-73.6-42.8-174.8-73-175163.600114.1P680 E719 L720P680-E723 VanDerWaalsContact CG-OE2 3.25Å; P680-E723 WeakPolarHBondContact CG-OE2 3.25Å; E719-E723 PolarHBondContact O-N 3.1Å; E719-E723 VanDerWaalsContact O-N 3.09Å; L720-E723 PolarHBondContact O-N 3.17Å
724C74.5Confident82.4Confident15 Ų1547.6 Ų47.610%0.10124%0.236CC..  trans-153.8132.8-170.2-168.60000113.5P680 T681 K726 C727P680-C724 HydrophobicContact CB-CB 4.33Å; T681-C724 HydrophobicContact CG2-CB 4.27Å; C724-K726 PolarHBondContact O-N 2.89Å; C724-K726 VanDerWaalsContact SG-CB 3.6Å; C724-K726 PolarHBondContact SG-N 3.37Å; C724-C727 VanDerWaalsContact O-CB 3.31Å; C724-C727 WeakPolarHBondContact O-CB 3.05Å; C724-C727 PolarHBondContact O-N 2.89Å; C724-C727 VanDerWaalsContact O-N 3.09Å
725S77.8Confident83.1Confident56 Ų5644.5 Ų44.539%0.39221%0.211SC..THydrogen-bonded Turntrans-54.5-36.4171520000112.7C727 Y728 E764S725-C727 PolarHBondContact O-N 2.86Å; S725-C727 VanDerWaalsContact O-N 3.09Å; S725-Y728 WeakPolarHBondContact O-CD2 3.27Å; S725-Y728 PolarHBondContact O-N 3.16Å; S725-E764 WeakPolarHBondContact CB-OE1 3.06Å
726K76.2Confident83.7Confident88 Ų8839.1 Ų39.138%0.38318%0.182SC..Hα-helixtrans-62.3-18.4178.2-57.9175.6-179.3172.50114T681 C683 C724 Y728T681-K726 PolarHBondContact O-NZ 3.44Å; C683-K726 PolarHBondContact O-NZ 3.44Å; C724-K726 PolarHBondContact O-N 2.89Å; C724-K726 VanDerWaalsContact SG-CB 3.6Å; C724-K726 PolarHBondContact SG-N 3.37Å; K726-Y728 VanDerWaalsContact C-N 3.26Å; K726-Y728 PolarHBondContact O-N 2.92Å
727C83.3Confident84.2Confident4 Ų436.5 Ų36.53%0.02717%0.172CC..Hα-helixtrans-67.7-27.2178.9-68.70000112.6L720 C724 S725 V729 K730 L731L720-C727 HydrophobicContact CB-CB 4.31Å; L720-C727 WeakPolarHBondContact O-CB 3.25Å; L720-C727 PolarHBondContact O-SG 3.38Å; L720-C727 VanDerWaalsContact O-SG 3.39Å; C724-C727 VanDerWaalsContact O-CB 3.31Å; C724-C727 WeakPolarHBondContact O-CB 3.05Å; C724-C727 PolarHBondContact O-N 2.89Å; C724-C727 VanDerWaalsContact O-N 3.09Å; S725-C727 PolarHBondContact O-N 2.86Å; S725-C727 VanDerWaalsContact O-N 3.09Å; C727-V729 PolarHBondContact O-N 3.43Å; C727-K730 PolarHBondContact O-N 2.94Å; C727-L731 WeakPolarHBondContact O-CB 3.08Å; C727-L731 WeakPolarHBondContact O-CG 3.47Å; C727-L731 PolarHBondContact O-N 2.96Å
728Y87Confident84.8Confident0 Ų036.2 Ų36.20%017%0.17CC..Hα-helixtrans-61.5-45.6178-78.4-98.4000111.9F721 S725 K726 K730 L731 G732 F753 H756 R762 E764 A765 A768F721-Y728 HydrophobicContact CD1-CD1 4.18Å; F721-Y728 HydrophobicContact CD1-CD2 4.1Å; F721-Y728 AromaticContact CD1-CE1 3.84Å; F721-Y728 HydrophobicContact CD1-CE1 3.84Å; F721-Y728 AromaticContact CD1-CE2 3.74Å; F721-Y728 HydrophobicContact CD1-CE2 3.74Å; F721-Y728 HydrophobicContact CD1-CG 4.32Å; F721-Y728 AromaticContact CD1-CZ 3.61Å; F721-Y728 AromaticContact CE1-CD1 3.92Å; F721-Y728 HydrophobicContact CE1-CD1 3.92Å; F721-Y728 AromaticContact CE1-CE1 3.84Å; F721-Y728 HydrophobicContact CE1-CE1 3.84Å; F721-Y728 HydrophobicContact CE1-CE2 4.44Å; F721-Y728 HydrophobicContact CE1-CG 4.29Å; S725-Y728 WeakPolarHBondContact O-CD2 3.27Å; S725-Y728 PolarHBondContact O-N 3.16Å; K726-Y728 VanDerWaalsContact C-N 3.26Å; K726-Y728 PolarHBondContact O-N 2.92Å; Y728-K730 PolarHBondContact O-N 2.68Å; Y728-L731 PolarHBondContact O-N 3.35Å; Y728-G732 PolarHBondContact O-N 3.05Å; Y728-F753 HydrophobicContact CD1-CD1 4.37Å; Y728-F753 HydrophobicContact CD1-CE1 4.44Å; Y728-H756 HydrophobicContact CE1-CB 4.28Å; Y728-H756 AromaticContact CZ-ND1 3.78Å; Y728-H756 PolarHBondContact OH-ND1 2.96Å; Y728-R762 WeakPolarHBondContact OH-CD 3.14Å; Y728-R762 PolarHBondContact OH-NH1 3.02Å; Y728-E764 WeakPolarHBondContact CB-O 3.39Å; Y728-E764 HydrophobicContact CD1-CB 4.01Å; Y728-E764 HydrophobicContact CD2-CB 3.56Å; Y728-E764 HydrophobicContact CD2-CG 4.33Å; Y728-E764 HydrophobicContact CE2-CB 4.12Å; Y728-E764 HydrophobicContact CG-CB 3.48Å; Y728-E764 VanDerWaalsContact CG-CB 3.48Å; Y728-A765 HydrophobicContact CD1-CB 4.35Å; Y728-A765 HydrophobicContact CE1-CB 4.07Å; Y728-A768 HydrophobicContact CD1-CB 4.45Å
729V84.2Confident85.4Confident42 Ų4232.5 Ų32.526%0.25515%0.153SC..Hα-helixtrans-56.5-50.3176172.60000110.5C727 L731 G732 Y733 I771C727-V729 PolarHBondContact O-N 3.43Å; V729-L731 PolarHBondContact O-N 2.82Å; V729-G732 PolarHBondContact O-N 3.23Å; V729-G732 VanDerWaalsContact O-N 3.14Å; V729-Y733 HydrophobicContact CG1-CD2 4.15Å; V729-Y733 HydrophobicContact CG1-CE2 3.85Å; V729-Y733 VanDerWaalsContact O-CD2 3.26Å; V729-Y733 WeakPolarHBondContact O-CD2 3.42Å; V729-Y733 PolarHBondContact O-N 3.25Å; V729-Y733 VanDerWaalsContact O-N 3.15Å; V729-I771 HydrophobicContact CB-CD1 4.16Å; V729-I771 HydrophobicContact CG1-CD1 3.77Å; V729-I771 HydrophobicContact CG2-CD1 4.36Å
730K85.1Confident85.9Confident35 Ų3528.7 Ų28.715%0.15214%0.135CC..Hα-helixtrans-59.5-45.4-179.9-59.5178.6-178.2168.70112C676 H690 C727 Y728 G732 Y733 L734C676-K730 PolarHBondContact O-NZ 3.43Å; H690-K730 HydrophobicContact CB-CB 3.97Å; H690-K730 HydrophobicContact CB-CG 3.89Å; C727-K730 PolarHBondContact O-N 2.94Å; Y728-K730 PolarHBondContact O-N 2.68Å; K730-G732 VanDerWaalsContact C-N 3.32Å; K730-Y733 PolarHBondContact O-N 3.27Å; K730-L734 PolarHBondContact O-N 2.84Å
731L88.6Confident86.5Confident11 Ų1130.4 Ų30.46%0.05814%0.14CC..Hα-helixtrans-70.2-29.2178.4-68.5173000112F721 C727 Y728 V729 L734 A735 L749 F753F721-L731 HydrophobicContact CD1-CD1 3.87Å; F721-L731 HydrophobicContact CE1-CD1 3.3Å; F721-L731 HydrophobicContact CE2-CD1 4.3Å; F721-L731 HydrophobicContact CZ-CD1 3.55Å; C727-L731 WeakPolarHBondContact O-CB 3.08Å; C727-L731 WeakPolarHBondContact O-CG 3.47Å; C727-L731 PolarHBondContact O-N 2.96Å; Y728-L731 PolarHBondContact O-N 3.35Å; V729-L731 PolarHBondContact O-N 2.82Å; L731-L734 HydrophobicContact CD2-CD2 4.47Å; L731-L734 PolarHBondContact O-N 3.24Å; L731-A735 VanDerWaalsContact O-CB 3.26Å; L731-A735 WeakPolarHBondContact O-CB 3.33Å; L731-A735 PolarHBondContact O-N 2.81Å; L731-L749 HydrophobicContact CB-CD2 4.23Å; L731-L749 HydrophobicContact CD2-CD2 4.28Å; L731-F753 HydrophobicContact CB-CE1 4.17Å; L731-F753 HydrophobicContact CB-CZ 3.92Å
732G91.3Very high86.8Confident0 Ų034.1 Ų34.10%016%0.161CC..Hα-helixtrans-62-46.6173.200000111.8Y728 V729 K730 L734 A735 R736Y728-G732 PolarHBondContact O-N 3.05Å; V729-G732 PolarHBondContact O-N 3.23Å; V729-G732 VanDerWaalsContact O-N 3.14Å; K730-G732 VanDerWaalsContact C-N 3.32Å; G732-L734 PolarHBondContact O-N 2.91Å; G732-A735 PolarHBondContact O-N 2.85Å; G732-R736 WeakPolarHBondContact O-CB 3.44Å; G732-R736 PolarHBondContact O-N 3.13Å
733Y91.3Very high87.3Confident27 Ų2727 Ų2711%0.10614%0.136CC..Hα-helixtrans-61.2-44173.5-79.5-81.4000112.2H690 I691 S694 V729 K730 R736 A737 I771 E783H690-Y733 AromaticContact CD2-CD2 3.27Å; H690-Y733 WeakPolarHBondContact CD2-CD2 3.32Å; H690-Y733 AromaticContact CD2-CE2 3.54Å; H690-Y733 AromaticContact CD2-CG 3.85Å; H690-Y733 AromaticContact NE2-CD2 3.8Å; H690-Y733 AromaticContact NE2-CE2 3.53Å; I691-Y733 HydrophobicContact CG1-CD1 4.5Å; I691-Y733 HydrophobicContact CG1-CE1 4.24Å; S694-Y733 WeakPolarHBondContact CB-O 3.49Å; V729-Y733 HydrophobicContact CG1-CD2 4.15Å; V729-Y733 HydrophobicContact CG1-CE2 3.85Å; V729-Y733 VanDerWaalsContact O-CD2 3.26Å; V729-Y733 WeakPolarHBondContact O-CD2 3.42Å; V729-Y733 PolarHBondContact O-N 3.25Å; V729-Y733 VanDerWaalsContact O-N 3.15Å; K730-Y733 PolarHBondContact O-N 3.27Å; Y733-R736 PolarHBondContact O-N 3.5Å; Y733-A737 WeakPolarHBondContact O-CB 3.45Å; Y733-A737 PolarHBondContact O-N 2.94Å; Y733-I771 HydrophobicContact CD1-CG2 3.97Å; Y733-I771 HydrophobicContact CD2-CD1 4.08Å; Y733-I771 HydrophobicContact CD2-CG2 4.03Å; Y733-I771 HydrophobicContact CE1-CG2 4.16Å; Y733-I771 HydrophobicContact CE2-CD1 3.89Å; Y733-I771 HydrophobicContact CE2-CG1 4.43Å; Y733-I771 HydrophobicContact CE2-CG2 4.23Å; Y733-I771 HydrophobicContact CG-CG2 3.9Å; Y733-E783 WeakPolarHBondContact CD1-OE2 3.45Å; Y733-E783 HydrophobicContact CE1-CG 4.38Å; Y733-E783 WeakPolarHBondContact CE1-OE2 3.33Å
734L91.6Very high88Confident19 Ų1927 Ų2710%0.09914%0.143CC..Hα-helixtrans-64.2-42.8176.7-177.162.6000111.9A697 I709 W713 K730 L731 G732 A737 L738 L749A697-L734 HydrophobicContact CB-CD1 3.85Å; I709-L734 HydrophobicContact CG2-CD1 4.05Å; W713-L734 HydrophobicContact CB-CD2 4.36Å; K730-L734 PolarHBondContact O-N 2.84Å; L731-L734 HydrophobicContact CD2-CD2 4.47Å; L731-L734 PolarHBondContact O-N 3.24Å; G732-L734 PolarHBondContact O-N 2.91Å; L734-A737 WeakPolarHBondContact O-CB 3.23Å; L734-A737 PolarHBondContact O-N 3.01Å; L734-L738 HydrophobicContact CD1-CD1 3.92Å; L734-L738 HydrophobicContact CD1-CG 4.15Å; L734-L738 HydrophobicContact CG-CD1 3.88Å; L734-L738 HydrophobicContact CG-CG 4.45Å; L734-L738 WeakPolarHBondContact O-CB 3.49Å; L734-L738 VanDerWaalsContact O-CG 3.26Å; L734-L738 WeakPolarHBondContact O-CG 3.33Å; L734-L738 PolarHBondContact O-N 2.83Å; L734-L749 HydrophobicContact CD2-CD1 4.32Å; L734-L749 HydrophobicContact CG-CD1 4.25Å
735A94Very high88.7Confident0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-60.4-48.4176.600000110.7L731 G732 A737 L738 L739 L749 F753 V772L731-A735 VanDerWaalsContact O-CB 3.26Å; L731-A735 WeakPolarHBondContact O-CB 3.33Å; L731-A735 PolarHBondContact O-N 2.81Å; G732-A735 PolarHBondContact O-N 2.85Å; A735-A737 PolarHBondContact O-N 3.14Å; A735-L738 PolarHBondContact O-N 3.42Å; A735-L739 HydrophobicContact CB-CD1 4.48Å; A735-L739 VanDerWaalsContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CB 3.16Å; A735-L739 WeakPolarHBondContact O-CD1 3.4Å; A735-L739 WeakPolarHBondContact O-CG 3.18Å; A735-L739 PolarHBondContact O-N 3.08Å; A735-L749 HydrophobicContact CB-CB 3.75Å; A735-L749 HydrophobicContact CB-CD1 3.87Å; A735-L749 HydrophobicContact CB-CG 4.37Å; A735-F753 HydrophobicContact CB-CE2 3.62Å; A735-F753 HydrophobicContact CB-CZ 4.24Å; A735-V772 HydrophobicContact CB-CG2 3.94Å
736R94.4Very high89.4Confident4 Ų424.6 Ų24.62%0.01513%0.125CC..Hα-helixtrans-53.5-54.3175.3-172.4-170.8-175.9-170.8-0.8110.9G732 Y733 L738 L739 L740 I771 T774 S775 E783G732-R736 WeakPolarHBondContact O-CB 3.44Å; G732-R736 PolarHBondContact O-N 3.13Å; Y733-R736 PolarHBondContact O-N 3.5Å; R736-L738 VanDerWaalsContact C-N 3.32Å; R736-L738 PolarHBondContact O-N 2.85Å; R736-L739 PolarHBondContact O-N 3.34Å; R736-L740 HydrophobicContact CG-CD1 4.09Å; R736-L740 WeakPolarHBondContact O-CB 3.36Å; R736-L740 VanDerWaalsContact O-CG 3.22Å; R736-L740 WeakPolarHBondContact O-CG 3.42Å; R736-L740 PolarHBondContact O-N 2.98Å; R736-I771 WeakPolarHBondContact CD-O 3.43Å; R736-T774 VanDerWaalsContact CZ-O 3.3Å; R736-T774 PolarHBondContact NE-O 2.74Å; R736-T774 PolarHBondContact NH2-O 3.02Å; R736-S775 PolarHBondContact NH2-O 2.85Å; R736-E783 IonicContact CZ-OE2 2.88Å; R736-E783 IonicContact NH1-OE1 2.79Å; R736-E783 PolarHBondContact NH1-OE1 2.65Å; R736-E783 IonicContact NH1-OE2 3.57Å; R736-E783 PolarHBondContact NH1-OE2 2.99Å
737A93Very high90.1Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-53-46.817800000113S694 H698 Y733 L734 A735 Y785S694-A737 WeakPolarHBondContact O-CB 3.46Å; H698-A737 HydrophobicContact CB-CB 3.95Å; H698-A737 PolarHBondContact ND1-O 2.97Å; Y733-A737 WeakPolarHBondContact O-CB 3.45Å; Y733-A737 PolarHBondContact O-N 2.94Å; L734-A737 WeakPolarHBondContact O-CB 3.23Å; L734-A737 PolarHBondContact O-N 3.01Å; A735-A737 PolarHBondContact O-N 3.14Å; A737-Y785 HydrophobicContact CB-CE1 4.08Å
738L93.2Very high90.5Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-75.3-36.8-177-68.5177.7000112.9L710 L734 A735 R736 R741 N742 H743 V745L710-L738 HydrophobicContact CD2-CD1 3.95Å; L710-L738 HydrophobicContact CD2-CD2 4.22Å; L734-L738 HydrophobicContact CD1-CD1 3.92Å; L734-L738 HydrophobicContact CD1-CG 4.15Å; L734-L738 HydrophobicContact CG-CD1 3.88Å; L734-L738 HydrophobicContact CG-CG 4.45Å; L734-L738 WeakPolarHBondContact O-CB 3.49Å; L734-L738 VanDerWaalsContact O-CG 3.26Å; L734-L738 WeakPolarHBondContact O-CG 3.33Å; L734-L738 PolarHBondContact O-N 2.83Å; A735-L738 PolarHBondContact O-N 3.42Å; R736-L738 VanDerWaalsContact C-N 3.32Å; R736-L738 PolarHBondContact O-N 2.85Å; L738-R741 VanDerWaalsContact O-CG 3.28Å; L738-R741 WeakPolarHBondContact O-CG 3.35Å; L738-R741 PolarHBondContact O-N 3.39Å; L738-N742 PolarHBondContact O-N 3.22Å; L738-H743 HydrophobicContact CB-CB 4.06Å; L738-H743 HydrophobicContact CD2-CB 4Å; L738-H743 WeakPolarHBondContact O-CB 3.47Å; L738-H743 PolarHBondContact O-N 3.32Å; L738-V745 HydrophobicContact CD1-CB 3.95Å; L738-V745 HydrophobicContact CD1-CG1 3.54Å
739L93.8Very high90.8Very high7 Ų724.4 Ų24.44%0.03713%0.129CC..Hα-helixtrans-65.9-42.1176.6-75.9168.4000112.1A735 R736 R741 N742 G746 I747 L750 V772 R795 I796A735-L739 HydrophobicContact CB-CD1 4.48Å; A735-L739 VanDerWaalsContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CB 3.16Å; A735-L739 WeakPolarHBondContact O-CD1 3.4Å; A735-L739 WeakPolarHBondContact O-CG 3.18Å; A735-L739 PolarHBondContact O-N 3.08Å; R736-L739 PolarHBondContact O-N 3.34Å; L739-R741 PolarHBondContact O-N 3.37Å; L739-N742 PolarHBondContact O-N 3.49Å; L739-G746 VanDerWaalsContact CD2-C 3.47Å; L739-I747 HydrophobicContact CD2-CG1 4.11Å; L739-L750 HydrophobicContact CD1-CB 4.33Å; L739-L750 HydrophobicContact CD1-CD2 4.19Å; L739-L750 HydrophobicContact CD2-CD2 4.19Å; L739-V772 HydrophobicContact CD1-CG1 3.66Å; L739-V772 HydrophobicContact CD1-CG2 4.48Å; L739-R795 PolarHBondContact O-NH2 3.43Å; L739-I796 HydrophobicContact CB-CD1 3.73Å; L739-I796 HydrophobicContact CB-CG1 3.96Å; L739-I796 HydrophobicContact CD2-CG1 4.49Å
740L92.7Very high91.2Very high2 Ų222.4 Ų22.41%0.0112%0.117CC..Hα-helixtrans-59.8-29.5178.4-71.9175.7000112.5R736 P776 Y785 L788 A789 C792 I796R736-L740 HydrophobicContact CG-CD1 4.09Å; R736-L740 WeakPolarHBondContact O-CB 3.36Å; R736-L740 VanDerWaalsContact O-CG 3.22Å; R736-L740 WeakPolarHBondContact O-CG 3.42Å; R736-L740 PolarHBondContact O-N 2.98Å; L740-P776 HydrophobicContact CD1-CG 4.39Å; L740-P776 HydrophobicContact CD2-CG 3.76Å; L740-Y785 HydrophobicContact CD1-CD1 4.05Å; L740-Y785 HydrophobicContact CD1-CD2 3.87Å; L740-Y785 HydrophobicContact CD1-CE1 4.35Å; L740-Y785 HydrophobicContact CD1-CE2 4.2Å; L740-Y785 HydrophobicContact CD1-CG 3.79Å; L740-L788 HydrophobicContact CB-CD2 4.05Å; L740-L788 HydrophobicContact CD1-CD2 4.08Å; L740-L788 HydrophobicContact CD2-CD2 4.08Å; L740-L788 HydrophobicContact CG-CD2 4.29Å; L740-A789 WeakPolarHBondContact O-CB 3.45Å; L740-A789 PolarHBondContact O-N 2.72Å; L740-C792 HydrophobicContact CD2-CB 4.36Å; L740-I796 HydrophobicContact CD2-CD1 4.13Å
741R89.7Confident91.6Very high47 Ų4724.1 Ų24.118%0.17713%0.126CC..THydrogen-bonded Turntrans-100.410.6175.869.6177.6-65.7-176.76.8114.8A697 H698 I700 D701 L738 L739 H743A697-R741 PolarHBondContact O-NH1 2.92Å; H698-R741 PolarHBondContact O-NH1 3.4Å; I700-R741 PolarHBondContact O-NH1 3.24Å; I700-R741 PolarHBondContact O-NH2 2.85Å; I700-R741 VanDerWaalsContact O-NH2 3.13Å; D701-R741 IonicContact OD1-NH2 2.68Å; L738-R741 VanDerWaalsContact O-CG 3.28Å; L738-R741 WeakPolarHBondContact O-CG 3.35Å; L738-R741 PolarHBondContact O-N 3.39Å; L739-R741 PolarHBondContact O-N 3.37Å; R741-H743 HydrophobicContact CG-CB 4.12Å
742N88.3Confident91.7Very high80 Ų8027 Ų2743%0.42814%0.136SC..THydrogen-bonded Turntrans60.739.4-179.2-160.835.4000115.2L738 L739 A789 R795L738-N742 PolarHBondContact O-N 3.22Å; L739-N742 PolarHBondContact O-N 3.49Å; N742-A789 HydrophobicContact CB-CB 4.25Å; N742-R795 PolarHBondContact OD1-NE 3.3Å; N742-R795 VanDerWaalsContact OD1-NE 3.11Å
743H89.9Confident91.8Very high45 Ų4527 Ų2721%0.20814%0.136CC..  trans-88.5134.3179.4-166.1-90.1000111.5L738 R741 V745 G746L738-H743 HydrophobicContact CB-CB 4.06Å; L738-H743 HydrophobicContact CD2-CB 4Å; L738-H743 WeakPolarHBondContact O-CB 3.47Å; L738-H743 PolarHBondContact O-N 3.32Å; R741-H743 HydrophobicContact CG-CB 4.12Å; H743-V745 VanDerWaalsContact C-N 3.26Å; H743-V745 WeakPolarHBondContact ND1-CB 3.44Å; H743-V745 PolarHBondContact ND1-N 3.17Å; H743-V745 PolarHBondContact O-N 3.48Å; H743-V745 VanDerWaalsContact O-N 3.16Å; H743-G746 PolarHBondContact O-N 3.18Å
744P88.3Confident91.9Very high85 Ų8525.9 Ų25.955%0.55213%0.132SC*.Hα-helixtrans-55.5-36.3-176.6-27.334000114.4G746 I747 T748P744-G746 VanDerWaalsContact C-N 3.27Å; P744-G746 PolarHBondContact O-N 3.13Å; P744-I747 WeakPolarHBondContact O-CB 3.39Å; P744-I747 PolarHBondContact O-N 3.37Å; P744-I747 VanDerWaalsContact O-N 3.11Å; P744-T748 PolarHBondContact O-N 2.75Å; P744-T748 PolarHBondContact O-OG1 2.89Å
745V89.8Confident91.8Very high21 Ų2128.7 Ų28.713%0.12715%0.149CC..Hα-helixtrans-61.3-35.1177.1169.10000112.4L710 W713 L738 H743 I747 T748 L749L710-V745 HydrophobicContact CD2-CB 4.22Å; L710-V745 HydrophobicContact CD2-CG1 4.11Å; L710-V745 HydrophobicContact CD2-CG2 4.17Å; W713-V745 HydrophobicContact CD2-CG1 3.49Å; W713-V745 VanDerWaalsContact CD2-CG1 3.49Å; W713-V745 HydrophobicContact CE3-CB 4.22Å; W713-V745 HydrophobicContact CE3-CG1 3.28Å; W713-V745 HydrophobicContact CE3-CG2 3.99Å; W713-V745 HydrophobicContact CG-CG1 4.27Å; W713-V745 HydrophobicContact CH2-CB 4.18Å; W713-V745 HydrophobicContact CH2-CG1 3.64Å; W713-V745 HydrophobicContact CH2-CG2 4.23Å; W713-V745 HydrophobicContact CZ2-CG1 3.85Å; W713-V745 HydrophobicContact CZ3-CB 3.93Å; W713-V745 HydrophobicContact CZ3-CG1 3.39Å; W713-V745 HydrophobicContact CZ3-CG2 3.59Å; L738-V745 HydrophobicContact CD1-CB 3.95Å; L738-V745 HydrophobicContact CD1-CG1 3.54Å; H743-V745 VanDerWaalsContact C-N 3.26Å; H743-V745 WeakPolarHBondContact ND1-CB 3.44Å; H743-V745 PolarHBondContact ND1-N 3.17Å; H743-V745 PolarHBondContact O-N 3.48Å; H743-V745 VanDerWaalsContact O-N 3.16Å; V745-I747 VanDerWaalsContact C-N 3.32Å; V745-T748 PolarHBondContact O-N 3.38Å; V745-L749 HydrophobicContact CG1-CD1 4.4Å; V745-L749 PolarHBondContact O-N 2.97Å
746G90.7Very high91.7Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-64.4-39.4175.400000111.8L739 H743 P744 L749 L750L739-G746 VanDerWaalsContact CD2-C 3.47Å; H743-G746 PolarHBondContact O-N 3.18Å; P744-G746 VanDerWaalsContact C-N 3.27Å; P744-G746 PolarHBondContact O-N 3.13Å; G746-L749 PolarHBondContact O-N 2.86Å; G746-L750 PolarHBondContact O-N 3.37Å
747I91.5Very high91.4Very high48 Ų4829.4 Ų29.425%0.24615%0.153CC..Hα-helixtrans-62-47.4174.2-65171.8000110.1L739 P744 V745 L749 L750 E751 Y799L739-I747 HydrophobicContact CD2-CG1 4.11Å; P744-I747 WeakPolarHBondContact O-CB 3.39Å; P744-I747 PolarHBondContact O-N 3.37Å; P744-I747 VanDerWaalsContact O-N 3.11Å; V745-I747 VanDerWaalsContact C-N 3.32Å; I747-L749 VanDerWaalsContact C-N 3.3Å; I747-L749 PolarHBondContact O-N 3.01Å; I747-L750 WeakPolarHBondContact O-CB 3.16Å; I747-L750 PolarHBondContact O-N 3.17Å; I747-L750 VanDerWaalsContact O-N 3.15Å; I747-E751 WeakPolarHBondContact O-CG 3.22Å; I747-E751 PolarHBondContact O-N 3.39Å; I747-Y799 HydrophobicContact CG2-CD1 4.39Å; I747-Y799 HydrophobicContact CG2-CE1 3.49Å; I747-Y799 VanDerWaalsContact CG2-CE1 3.49Å; I747-Y799 HydrophobicContact CG2-CE2 4.34Å; I747-Y799 VanDerWaalsContact CG2-CZ 3.45Å; I747-Y799 WeakPolarHBondContact CG2-OH 3.31Å
748T92.1Very high91.1Very high40 Ų4033.9 Ų33.925%0.24517%0.17CC..Hα-helixtrans-67.5-32.4-179.3-22.40000112.5W713 P744 V745 R752W713-T748 HydrophobicContact CH2-CG2 4.48Å; P744-T748 PolarHBondContact O-N 2.75Å; P744-T748 PolarHBondContact O-OG1 2.89Å; V745-T748 PolarHBondContact O-N 3.38Å; T748-R752 VanDerWaalsContact CB-NH1 3.33Å; T748-R752 WeakPolarHBondContact O-CD 3.09Å; T748-R752 PolarHBondContact O-N 2.87Å
749L92.3Very high90.6Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-62.3-45171.5-89.7168.9000111.8W713 L731 L734 A735 V745 G746 I747 R752 F753W713-L749 HydrophobicContact CZ2-CD2 4.29Å; W713-L749 HydrophobicContact CZ2-CG 3.82Å; W713-L749 VanDerWaalsContact NE1-CG 3.27Å; L731-L749 HydrophobicContact CB-CD2 4.23Å; L731-L749 HydrophobicContact CD2-CD2 4.28Å; L734-L749 HydrophobicContact CD2-CD1 4.32Å; L734-L749 HydrophobicContact CG-CD1 4.25Å; A735-L749 HydrophobicContact CB-CB 3.75Å; A735-L749 HydrophobicContact CB-CD1 3.87Å; A735-L749 HydrophobicContact CB-CG 4.37Å; V745-L749 HydrophobicContact CG1-CD1 4.4Å; V745-L749 PolarHBondContact O-N 2.97Å; G746-L749 PolarHBondContact O-N 2.86Å; I747-L749 VanDerWaalsContact C-N 3.3Å; I747-L749 PolarHBondContact O-N 3.01Å; L749-R752 WeakPolarHBondContact O-CB 3.48Å; L749-R752 PolarHBondContact O-N 3.29Å; L749-F753 HydrophobicContact CB-CE2 4.37Å; L749-F753 HydrophobicContact CD2-CZ 4.18Å; L749-F753 WeakPolarHBondContact O-CD2 3.46Å; L749-F753 WeakPolarHBondContact O-CG 3.44Å; L749-F753 PolarHBondContact O-N 3.25Å
750L94Very high88.9Confident0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-58.6-48.2176-173.459.7000111.1L739 G746 I747 R752 F753 F754 L769 V772 Y799 L803L739-L750 HydrophobicContact CD1-CB 4.33Å; L739-L750 HydrophobicContact CD1-CD2 4.19Å; L739-L750 HydrophobicContact CD2-CD2 4.19Å; G746-L750 PolarHBondContact O-N 3.37Å; I747-L750 WeakPolarHBondContact O-CB 3.16Å; I747-L750 PolarHBondContact O-N 3.17Å; I747-L750 VanDerWaalsContact O-N 3.15Å; L750-R752 VanDerWaalsContact C-N 3.31Å; L750-R752 PolarHBondContact O-N 3.15Å; L750-F753 PolarHBondContact O-N 3.04Å; L750-F753 VanDerWaalsContact O-N 3.15Å; L750-F754 HydrophobicContact CD1-CD2 4.06Å; L750-F754 HydrophobicContact CD1-CE2 3.76Å; L750-F754 HydrophobicContact CG-CD2 4.31Å; L750-F754 HydrophobicContact CG-CE2 4.23Å; L750-F754 WeakPolarHBondContact O-CD2 3.26Å; L750-F754 PolarHBondContact O-N 3.04Å; L750-F754 VanDerWaalsContact O-N 3.08Å; L750-L769 HydrophobicContact CD1-CD2 3.69Å; L750-V772 HydrophobicContact CD1-CG1 4.32Å; L750-Y799 HydrophobicContact CD2-CD1 3.85Å; L750-Y799 HydrophobicContact CD2-CE1 4.49Å; L750-L803 HydrophobicContact CD2-CD1 4.35Å; L750-L803 HydrophobicContact CG-CD1 3.95Å
751E93.3Very high87.6Confident71 Ų7146.1 Ų46.133%0.33225%0.247SC..Hα-helixtrans-57.3-41174.7-68.7175.6143.500112.6I747 F754 T755 Y799 L803I747-E751 WeakPolarHBondContact O-CG 3.22Å; I747-E751 PolarHBondContact O-N 3.39Å; E751-F754 PolarHBondContact O-N 3.32Å; E751-T755 WeakPolarHBondContact O-CB 3.41Å; E751-T755 PolarHBondContact O-N 3.39Å; E751-T755 PolarHBondContact O-OG1 3.07Å; E751-Y799 HydrophobicContact CG-CE1 4.22Å; E751-Y799 PolarHBondContact OE1-OH 2.8Å; E751-L803 HydrophobicContact CG-CD1 4.32Å; E751-L803 HydrophobicContact CG-CD2 4.13Å
752R91.4Very high86.7Confident72 Ų7246.4 Ų46.427%0.27225%0.248SC..Hα-helixtrans-63.4-45.4174.9-92.190.4172.7-154.44.6111.5W713 F721 T748 L749 L750 F754 T755 H756W713-R752 VanDerWaalsContact CH2-NH1 3.26Å; F721-R752 HydrophobicContact CE2-CB 4.17Å; F721-R752 HydrophobicContact CE2-CG 4.33Å; F721-R752 HydrophobicContact CZ-CB 4.49Å; T748-R752 VanDerWaalsContact CB-NH1 3.33Å; T748-R752 WeakPolarHBondContact O-CD 3.09Å; T748-R752 PolarHBondContact O-N 2.87Å; L749-R752 WeakPolarHBondContact O-CB 3.48Å; L749-R752 PolarHBondContact O-N 3.29Å; L750-R752 VanDerWaalsContact C-N 3.31Å; L750-R752 PolarHBondContact O-N 3.15Å; R752-F754 VanDerWaalsContact C-N 3.29Å; R752-F754 PolarHBondContact O-N 2.93Å; R752-T755 WeakPolarHBondContact O-CA 3.26Å; R752-T755 WeakPolarHBondContact O-CB 3.27Å; R752-T755 PolarHBondContact O-N 3.15Å; R752-H756 PolarHBondContact O-CD2 3.32Å; R752-H756 PolarHBondContact O-N 2.77Å
753F93.1Very high86.4Confident0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-57.7-45.3177.6-61.6-39.3000111.3F721 Y728 L731 A735 L749 L750 T755 H756 L757 A768 L769 V772F721-F753 HydrophobicContact CE1-CD1 4.38Å; F721-F753 AromaticContact CE1-CE1 3.92Å; F721-F753 HydrophobicContact CE1-CE1 3.92Å; F721-F753 HydrophobicContact CZ-CD1 4.19Å; F721-F753 AromaticContact CZ-CE1 3.83Å; F721-F753 HydrophobicContact CZ-CE1 3.83Å; Y728-F753 HydrophobicContact CD1-CD1 4.37Å; Y728-F753 HydrophobicContact CD1-CE1 4.44Å; L731-F753 HydrophobicContact CB-CE1 4.17Å; L731-F753 HydrophobicContact CB-CZ 3.92Å; A735-F753 HydrophobicContact CB-CE2 3.62Å; A735-F753 HydrophobicContact CB-CZ 4.24Å; L749-F753 HydrophobicContact CB-CE2 4.37Å; L749-F753 HydrophobicContact CD2-CZ 4.18Å; L749-F753 WeakPolarHBondContact O-CD2 3.46Å; L749-F753 WeakPolarHBondContact O-CG 3.44Å; L749-F753 PolarHBondContact O-N 3.25Å; L750-F753 PolarHBondContact O-N 3.04Å; L750-F753 VanDerWaalsContact O-N 3.15Å; F753-T755 VanDerWaalsContact C-N 3.31Å; F753-T755 PolarHBondContact O-N 3.46Å; F753-H756 PolarHBondContact O-N 3.41Å; F753-H756 VanDerWaalsContact O-N 3.17Å; F753-L757 WeakPolarHBondContact O-CG 3.34Å; F753-L757 PolarHBondContact O-N 3.3Å; F753-L757 VanDerWaalsContact O-N 3.07Å; F753-A768 HydrophobicContact CD1-CB 3.94Å; F753-A768 HydrophobicContact CD2-CB 4.31Å; F753-A768 HydrophobicContact CE1-CB 3.76Å; F753-A768 HydrophobicContact CE2-CB 4.13Å; F753-A768 HydrophobicContact CG-CB 4.23Å; F753-A768 HydrophobicContact CZ-CB 3.87Å; F753-L769 HydrophobicContact CB-CD1 4.49Å; F753-L769 HydrophobicContact CB-CD2 4.11Å; F753-L769 HydrophobicContact CB-CG 4.15Å; F753-L769 HydrophobicContact CD2-CD2 4.45Å; F753-V772 HydrophobicContact CE2-CG2 4.27Å
754F93Very high86.3Confident3 Ų346.9 Ų46.91%0.01325%0.251CS..Hα-helixtrans-62.5-34.4174.5-86.7-102.6000113.3L750 E751 R752 L757 R758 L769 L803 L804 L807 T826L750-F754 HydrophobicContact CD1-CD2 4.06Å; L750-F754 HydrophobicContact CD1-CE2 3.76Å; L750-F754 HydrophobicContact CG-CD2 4.31Å; L750-F754 HydrophobicContact CG-CE2 4.23Å; L750-F754 WeakPolarHBondContact O-CD2 3.26Å; L750-F754 PolarHBondContact O-N 3.04Å; L750-F754 VanDerWaalsContact O-N 3.08Å; E751-F754 PolarHBondContact O-N 3.32Å; R752-F754 VanDerWaalsContact C-N 3.29Å; R752-F754 PolarHBondContact O-N 2.93Å; F754-L757 HydrophobicContact CD1-CD1 4.33Å; F754-L757 HydrophobicContact CG-CD1 4.5Å; F754-L757 WeakPolarHBondContact O-CB 2.92Å; F754-R758 PolarHBondContact O-NH1 3.03Å; F754-R758 VanDerWaalsContact O-NH1 3.17Å; F754-L769 HydrophobicContact CD2-CD2 4.06Å; F754-L769 HydrophobicContact CE2-CD1 4.47Å; F754-L769 HydrophobicContact CE2-CD2 3.7Å; F754-L803 HydrophobicContact CB-CB 4.34Å; F754-L803 HydrophobicContact CB-CD1 4.42Å; F754-L803 HydrophobicContact CD1-CB 3.38Å; F754-L803 HydrophobicContact CD1-CD1 4.46Å; F754-L803 HydrophobicContact CD2-CB 4.17Å; F754-L803 HydrophobicContact CD2-CD1 3.77Å; F754-L803 HydrophobicContact CE1-CB 3.58Å; F754-L803 HydrophobicContact CE2-CB 4.3Å; F754-L803 HydrophobicContact CE2-CD1 4.08Å; F754-L803 HydrophobicContact CG-CB 3.71Å; F754-L803 HydrophobicContact CG-CD1 3.97Å; F754-L803 HydrophobicContact CG-CG 4.46Å; F754-L803 HydrophobicContact CZ-CB 4.04Å; F754-L804 HydrophobicContact CE1-CB 3.96Å; F754-L804 HydrophobicContact CE1-CD1 3.96Å; F754-L807 HydrophobicContact CB-CD1 4.49Å; F754-L807 HydrophobicContact CD1-CD1 3.47Å; F754-L807 VanDerWaalsContact CD1-CD1 3.47Å; F754-L807 HydrophobicContact CE1-CD1 4.14Å; F754-L807 HydrophobicContact CG-CD1 4.41Å; F754-T826 HydrophobicContact CE1-CG2 4.35Å; F754-T826 HydrophobicContact CZ-CG2 4.06Å
755T90.4Very high86.4Confident77 Ų7742.9 Ų42.947%0.47222%0.224SC..Hα-helixtrans-67.3-42.2173.8-55.70000111.1E751 R752 F753 L757 R758E751-T755 WeakPolarHBondContact O-CB 3.41Å; E751-T755 PolarHBondContact O-N 3.39Å; E751-T755 PolarHBondContact O-OG1 3.07Å; R752-T755 WeakPolarHBondContact O-CA 3.26Å; R752-T755 WeakPolarHBondContact O-CB 3.27Å; R752-T755 PolarHBondContact O-N 3.15Å; F753-T755 VanDerWaalsContact C-N 3.31Å; F753-T755 PolarHBondContact O-N 3.46Å; T755-L757 VanDerWaalsContact C-N 3.28Å; T755-L757 PolarHBondContact O-N 3.05Å; T755-R758 WeakPolarHBondContact O-CB 3.33Å; T755-R758 PolarHBondContact O-N 3.14Å; T755-R758 VanDerWaalsContact O-N 3.1Å
756H90.3Very high86.5Confident20 Ų2042.4 Ų42.49%0.09322%0.222CC..Hα-helixtrans-70.7-20.3-179.5-80.4-117.5000113.6F721 Y728 R752 F753 R758 V759 A765F721-H756 AromaticContact CD2-CE1 3.62Å; F721-H756 AromaticContact CD2-NE2 3.75Å; F721-H756 AromaticContact CG-CE1 3.73Å; Y728-H756 HydrophobicContact CE1-CB 4.28Å; Y728-H756 AromaticContact CZ-ND1 3.78Å; Y728-H756 PolarHBondContact OH-ND1 2.96Å; R752-H756 PolarHBondContact O-CD2 3.32Å; R752-H756 PolarHBondContact O-N 2.77Å; F753-H756 PolarHBondContact O-N 3.41Å; F753-H756 VanDerWaalsContact O-N 3.17Å; H756-R758 PolarHBondContact O-N 3.38Å; H756-V759 PolarHBondContact O-N 3.01Å; H756-V759 VanDerWaalsContact O-N 3.08Å; H756-A765 HydrophobicContact CB-CB 4.24Å
757L89.3Confident86.5Confident0 Ų047 Ų470%024%0.243CC..THydrogen-bonded Turntrans-55.8-29.6167.8-65.7176.2000112F753 F754 T755 V759 A765 V766 L769 L807 L819 R822 T826F753-L757 WeakPolarHBondContact O-CG 3.34Å; F753-L757 PolarHBondContact O-N 3.3Å; F753-L757 VanDerWaalsContact O-N 3.07Å; F754-L757 HydrophobicContact CD1-CD1 4.33Å; F754-L757 HydrophobicContact CG-CD1 4.5Å; F754-L757 WeakPolarHBondContact O-CB 2.92Å; T755-L757 VanDerWaalsContact C-N 3.28Å; T755-L757 PolarHBondContact O-N 3.05Å; L757-V759 VanDerWaalsContact C-N 3.34Å; L757-A765 HydrophobicContact CD2-CB 3.86Å; L757-A765 HydrophobicContact CG-CB 4.46Å; L757-V766 HydrophobicContact CD2-CG2 3.84Å; L757-L769 HydrophobicContact CD1-CD1 4.07Å; L757-L769 HydrophobicContact CD2-CD1 4.17Å; L757-L769 HydrophobicContact CG-CD1 4.38Å; L757-L807 HydrophobicContact CD1-CD1 3.85Å; L757-L819 WeakPolarHBondContact O-CD1 3.25Å; L757-R822 HydrophobicContact CD2-CB 4.2Å; L757-R822 PolarHBondContact O-NH1 3.31Å; L757-R822 PolarHBondContact O-NH2 3.28Å; L757-T826 HydrophobicContact CD1-CG2 4.4Å
758R86.2Confident86.5Confident93 Ų9344.7 Ų44.735%0.35123%0.231SC..THydrogen-bonded Turntrans-75.2-20.6178.9-61.9179173.780.9-7.8113.8F754 T755 H756 L807 E810F754-R758 PolarHBondContact O-NH1 3.03Å; F754-R758 VanDerWaalsContact O-NH1 3.17Å; T755-R758 WeakPolarHBondContact O-CB 3.33Å; T755-R758 PolarHBondContact O-N 3.14Å; T755-R758 VanDerWaalsContact O-N 3.1Å; H756-R758 PolarHBondContact O-N 3.38Å; R758-L807 HydrophobicContact CG-CD2 3.84Å; R758-E810 IonicContact CZ-OE1 2.98Å; R758-E810 IonicContact CZ-OE2 2.76Å; R758-E810 IonicContact NE-OE1 2.61Å; R758-E810 PolarHBondContact NE-OE1 3.29Å; R758-E810 IonicContact NE-OE2 2.62Å; R758-E810 PolarHBondContact NE-OE2 3.03Å; R758-E810 IonicContact NH2-OE1 3.25Å; R758-E810 PolarHBondContact NH2-OE1 3.21Å; R758-E810 IonicContact NH2-OE2 2.78Å
759V82Confident86.7Confident70 Ų7042.8 Ų42.842%0.42422%0.22SC..SBendtrans-84.6125-174.8-178.10000109H756 L757 R762 R822H756-V759 PolarHBondContact O-N 3.01Å; H756-V759 VanDerWaalsContact O-N 3.08Å; L757-V759 VanDerWaalsContact C-N 3.34Å; V759-R762 HydrophobicContact CB-CG 3.93Å; V759-R762 HydrophobicContact CG1-CG 3.92Å; V759-R762 WeakPolarHBondContact O-CB 3.45Å; V759-R822 PolarHBondContact O-NH1 3.48Å
760A58.5Low86.8Confident65 Ų6548 Ų4854%0.53724%0.244SC..THydrogen-bonded Turntrans-56.8147.3-18000000112.3
761N65.8Low86.7Confident132 Ų13249 Ų4971%0.70625%0.249SC*.THydrogen-bonded Turntrans61.831.9-177.3-62.1-28.2000116.1
762R70.8Confident86.8Confident53 Ų5345.8 Ų45.820%0.223%0.234CC..  trans-11764.9179.1-64.5-65.7-167.31692.5112.9F721 Y728 V759 E764F721-R762 PolarHBondContact O-NH1 3.36Å; F721-R762 PolarHBondContact O-NH2 3.24Å; F721-R762 VanDerWaalsContact O-NH2 3.1Å; Y728-R762 WeakPolarHBondContact OH-CD 3.14Å; Y728-R762 PolarHBondContact OH-NH1 3.02Å; V759-R762 HydrophobicContact CB-CG 3.93Å; V759-R762 HydrophobicContact CG1-CG 3.92Å; V759-R762 WeakPolarHBondContact O-CB 3.45Å; R762-E764 VanDerWaalsContact CA-OE2 3.23Å; R762-E764 WeakPolarHBondContact CA-OE2 3.39Å; R762-E764 PolarHBondContact O-N 3.32Å
763N82Confident87Confident96 Ų9643.1 Ų43.151%0.51322%0.224SC..THydrogen-bonded Turntrans-70.9-19.5174-71.8-5.9000112A765 V766 E767N763-A765 PolarHBondContact O-N 3.04Å; N763-V766 WeakPolarHBondContact O-CB 3.11Å; N763-V766 PolarHBondContact O-N 3.46Å; N763-E767 PolarHBondContact O-N 3.32Å
764E87.1Confident86.9Confident39 Ų3944.8 Ų44.818%0.18224%0.235CC..Hα-helixtrans-63.9-23.5178-5691.8155.400113S725 Y728 R762 V766 E767 A768S725-E764 WeakPolarHBondContact CB-OE1 3.06Å; Y728-E764 WeakPolarHBondContact CB-O 3.39Å; Y728-E764 HydrophobicContact CD1-CB 4.01Å; Y728-E764 HydrophobicContact CD2-CB 3.56Å; Y728-E764 HydrophobicContact CD2-CG 4.33Å; Y728-E764 HydrophobicContact CE2-CB 4.12Å; Y728-E764 HydrophobicContact CG-CB 3.48Å; Y728-E764 VanDerWaalsContact CG-CB 3.48Å; R762-E764 VanDerWaalsContact CA-OE2 3.23Å; R762-E764 WeakPolarHBondContact CA-OE2 3.39Å; R762-E764 PolarHBondContact O-N 3.32Å; E764-V766 VanDerWaalsContact C-N 3.31Å; E764-E767 PolarHBondContact O-N 2.9Å; E764-A768 PolarHBondContact O-N 2.04Å
765A91.4Very high86.6Confident0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-64.9-36.8172.500000111.7Y728 H756 L757 N763 A768 L769Y728-A765 HydrophobicContact CD1-CB 4.35Å; Y728-A765 HydrophobicContact CE1-CB 4.07Å; H756-A765 HydrophobicContact CB-CB 4.24Å; L757-A765 HydrophobicContact CD2-CB 3.86Å; L757-A765 HydrophobicContact CG-CB 4.46Å; N763-A765 PolarHBondContact O-N 3.04Å; A765-A768 PolarHBondContact O-N 3.31Å; A765-L769 VanDerWaalsContact O-CG 3.31Å; A765-L769 WeakPolarHBondContact O-CG 3.27Å; A765-L769 PolarHBondContact O-N 2.95Å
766V91.9Very high86.3Confident12 Ų1244.1 Ų44.17%0.07323%0.233CC..Hα-helixtrans-68.9-41.3175.1-1780000110.1L757 N763 E764 A768 L769 Q770 R822 E825 L829L757-V766 HydrophobicContact CD2-CG2 3.84Å; N763-V766 WeakPolarHBondContact O-CB 3.11Å; N763-V766 PolarHBondContact O-N 3.46Å; E764-V766 VanDerWaalsContact C-N 3.31Å; V766-A768 VanDerWaalsContact C-N 3.32Å; V766-A768 PolarHBondContact O-N 3.44Å; V766-L769 PolarHBondContact O-N 3.01Å; V766-L769 VanDerWaalsContact O-N 3.15Å; V766-Q770 PolarHBondContact O-N 3.24Å; V766-R822 HydrophobicContact CG2-CB 3.95Å; V766-R822 HydrophobicContact CG2-CG 4Å; V766-E825 HydrophobicContact CG1-CB 4.08Å; V766-L829 HydrophobicContact CG1-CD1 3.87Å
767E90.1Very high85.9Confident95 Ų9547.8 Ų47.844%0.44426%0.26SS..Hα-helixtrans-59.4-41.6174-64.8-177.917600112.1N763 E764 Q770 I771N763-E767 PolarHBondContact O-N 3.32Å; E764-E767 PolarHBondContact O-N 2.9Å; E767-Q770 WeakPolarHBondContact O-CB 3.25Å; E767-Q770 PolarHBondContact O-N 3.18Å; E767-I771 WeakPolarHBondContact O-CG1 3.48Å; E767-I771 PolarHBondContact O-N 3.21Å
768A92.7Very high85.5Confident0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-63.3-41.6174.700000112.1Y728 F753 E764 A765 V766 I771 V772Y728-A768 HydrophobicContact CD1-CB 4.45Å; F753-A768 HydrophobicContact CD1-CB 3.94Å; F753-A768 HydrophobicContact CD2-CB 4.31Å; F753-A768 HydrophobicContact CE1-CB 3.76Å; F753-A768 HydrophobicContact CE2-CB 4.13Å; F753-A768 HydrophobicContact CG-CB 4.23Å; F753-A768 HydrophobicContact CZ-CB 3.87Å; E764-A768 PolarHBondContact O-N 2.04Å; A765-A768 PolarHBondContact O-N 3.31Å; V766-A768 VanDerWaalsContact C-N 3.32Å; V766-A768 PolarHBondContact O-N 3.44Å; A768-I771 PolarHBondContact O-N 3.43Å; A768-V772 WeakPolarHBondContact O-CG2 3.36Å; A768-V772 PolarHBondContact O-N 3.22Å
769L95.2Very high85.2Confident0 Ų049.6 Ų49.60%028%0.282CS..Hα-helixtrans-67.3-35.4177.2-71.9165.3000112.1L750 F753 F754 L757 A765 V766 I771 V772 Y773 T826L750-L769 HydrophobicContact CD1-CD2 3.69Å; F753-L769 HydrophobicContact CB-CD1 4.49Å; F753-L769 HydrophobicContact CB-CD2 4.11Å; F753-L769 HydrophobicContact CB-CG 4.15Å; F753-L769 HydrophobicContact CD2-CD2 4.45Å; F754-L769 HydrophobicContact CD2-CD2 4.06Å; F754-L769 HydrophobicContact CE2-CD1 4.47Å; F754-L769 HydrophobicContact CE2-CD2 3.7Å; L757-L769 HydrophobicContact CD1-CD1 4.07Å; L757-L769 HydrophobicContact CD2-CD1 4.17Å; L757-L769 HydrophobicContact CG-CD1 4.38Å; A765-L769 VanDerWaalsContact O-CG 3.31Å; A765-L769 WeakPolarHBondContact O-CG 3.27Å; A765-L769 PolarHBondContact O-N 2.95Å; V766-L769 PolarHBondContact O-N 3.01Å; V766-L769 VanDerWaalsContact O-N 3.15Å; L769-I771 VanDerWaalsContact C-N 3.28Å; L769-I771 PolarHBondContact O-N 2.83Å; L769-V772 PolarHBondContact O-N 3.18Å; L769-V772 VanDerWaalsContact O-N 3.17Å; L769-Y773 HydrophobicContact CB-CD2 4.21Å; L769-Y773 HydrophobicContact CB-CE2 3.95Å; L769-Y773 HydrophobicContact CD2-CE2 4.08Å; L769-Y773 WeakPolarHBondContact O-CB 3.44Å; L769-Y773 WeakPolarHBondContact O-CD2 3.39Å; L769-Y773 VanDerWaalsContact O-CG 3.3Å; L769-Y773 PolarHBondContact O-N 3.26Å; L769-T826 HydrophobicContact CD1-CG2 3.76Å
770Q94.4Very high85.1Confident110 Ų11050.5 Ų50.551%0.51429%0.287SS..Hα-helixtrans-59.4-39.9173.3-175.7176.87.900111.7V766 E767 Y773 T774 L829V766-Q770 PolarHBondContact O-N 3.24Å; E767-Q770 WeakPolarHBondContact O-CB 3.25Å; E767-Q770 PolarHBondContact O-N 3.18Å; Q770-Y773 CarbonylContact O-C 3.5Å; Q770-Y773 PolarHBondContact O-N 3.41Å; Q770-T774 PolarHBondContact O-N 2.83Å; Q770-T774 PolarHBondContact O-OG1 2.81Å; Q770-L829 HydrophobicContact CB-CD1 3.94Å; Q770-L829 HydrophobicContact CB-CD2 4.15Å; Q770-L829 HydrophobicContact CG-CD2 3.92Å
771I92.5Very high86.1Confident22 Ų2249.9 Ų49.911%0.11328%0.275CS..Hα-helixtrans-66.8-44.9174.6-63.1162.3000110.6V729 Y733 R736 E767 A768 L769 Y773 T774V729-I771 HydrophobicContact CB-CD1 4.16Å; V729-I771 HydrophobicContact CG1-CD1 3.77Å; V729-I771 HydrophobicContact CG2-CD1 4.36Å; Y733-I771 HydrophobicContact CD1-CG2 3.97Å; Y733-I771 HydrophobicContact CD2-CD1 4.08Å; Y733-I771 HydrophobicContact CD2-CG2 4.03Å; Y733-I771 HydrophobicContact CE1-CG2 4.16Å; Y733-I771 HydrophobicContact CE2-CD1 3.89Å; Y733-I771 HydrophobicContact CE2-CG1 4.43Å; Y733-I771 HydrophobicContact CE2-CG2 4.23Å; Y733-I771 HydrophobicContact CG-CG2 3.9Å; R736-I771 WeakPolarHBondContact CD-O 3.43Å; E767-I771 WeakPolarHBondContact O-CG1 3.48Å; E767-I771 PolarHBondContact O-N 3.21Å; A768-I771 PolarHBondContact O-N 3.43Å; L769-I771 VanDerWaalsContact C-N 3.28Å; L769-I771 PolarHBondContact O-N 2.83Å; I771-Y773 VanDerWaalsContact C-N 3.28Å; I771-Y773 PolarHBondContact O-N 3.24Å; I771-T774 WeakPolarHBondContact O-CB 3.32Å; I771-T774 PolarHBondContact O-N 2.97Å; I771-T774 PolarHBondContact O-OG1 2.91Å
772V94.8Very high87Confident2 Ų244.7 Ų44.71%0.01225%0.247CC..Hα-helixtrans-58.5-41.5177.1170.70000111.6A735 L739 L750 F753 A768 L769 T774 I796A735-V772 HydrophobicContact CB-CG2 3.94Å; L739-V772 HydrophobicContact CD1-CG1 3.66Å; L739-V772 HydrophobicContact CD1-CG2 4.48Å; L750-V772 HydrophobicContact CD1-CG1 4.32Å; F753-V772 HydrophobicContact CE2-CG2 4.27Å; A768-V772 WeakPolarHBondContact O-CG2 3.36Å; A768-V772 PolarHBondContact O-N 3.22Å; L769-V772 PolarHBondContact O-N 3.18Å; L769-V772 VanDerWaalsContact O-N 3.17Å; V772-T774 PolarHBondContact O-N 3.21Å; V772-I796 HydrophobicContact CG1-CG2 4.37Å
773Y95Very high87.9Confident16 Ų1642.9 Ų42.96%0.06324%0.241CC..THydrogen-bonded Turntrans-86.925.2-179.2-59.5-40.4000114L769 Q770 I771 I796 S800 T826 L829 L830 Y833L769-Y773 HydrophobicContact CB-CD2 4.21Å; L769-Y773 HydrophobicContact CB-CE2 3.95Å; L769-Y773 HydrophobicContact CD2-CE2 4.08Å; L769-Y773 WeakPolarHBondContact O-CB 3.44Å; L769-Y773 WeakPolarHBondContact O-CD2 3.39Å; L769-Y773 VanDerWaalsContact O-CG 3.3Å; L769-Y773 PolarHBondContact O-N 3.26Å; Q770-Y773 CarbonylContact O-C 3.5Å; Q770-Y773 PolarHBondContact O-N 3.41Å; I771-Y773 VanDerWaalsContact C-N 3.28Å; I771-Y773 PolarHBondContact O-N 3.24Å; Y773-I796 HydrophobicContact CE1-CG2 4.28Å; Y773-S800 WeakPolarHBondContact CE1-OG 3.49Å; Y773-S800 WeakPolarHBondContact OH-CB 3.32Å; Y773-S800 PolarHBondContact OH-OG 3.06Å; Y773-T826 HydrophobicContact CE2-CG2 4.35Å; Y773-L829 HydrophobicContact CD2-CB 3.71Å; Y773-L829 HydrophobicContact CE2-CB 4.41Å; Y773-L830 HydrophobicContact CD1-CD1 4.49Å; Y773-L830 HydrophobicContact CE1-CD1 3.96Å; Y773-L830 HydrophobicContact CE2-CB 4.23Å; Y773-Y833 VanDerWaalsContact C-CD2 3.46Å; Y773-Y833 AromaticContact CD1-CD1 3.78Å; Y773-Y833 HydrophobicContact CD1-CD1 3.78Å; Y773-Y833 HydrophobicContact CD1-CE1 4.21Å; Y773-Y833 HydrophobicContact CD1-CG 4.08Å; Y773-Y833 HydrophobicContact CG-CG 4.39Å; Y773-Y833 WeakPolarHBondContact O-CD2 3.2Å
774T92.2Very high88.2Confident36 Ų3639.1 Ų39.122%0.22122%0.222CC..SBendtrans-91.5121.4168-56.30000109.3R736 Q770 I771 V772 D778R736-T774 VanDerWaalsContact CZ-O 3.3Å; R736-T774 PolarHBondContact NE-O 2.74Å; R736-T774 PolarHBondContact NH2-O 3.02Å; Q770-T774 PolarHBondContact O-N 2.83Å; Q770-T774 PolarHBondContact O-OG1 2.81Å; I771-T774 WeakPolarHBondContact O-CB 3.32Å; I771-T774 PolarHBondContact O-N 2.97Å; I771-T774 PolarHBondContact O-OG1 2.91Å; V772-T774 PolarHBondContact O-N 3.21Å; T774-D778 HydrophobicContact CG2-CB 4.21Å; T774-D778 WeakPolarHBondContact CG2-O 3.22Å
775S86.7Confident88.3Confident34 Ų3438.3 Ų38.324%0.23822%0.217CC..  trans-54.5143.3177.2176.50000111.1R736 S777 D778 A779R736-S775 PolarHBondContact NH2-O 2.85Å; S775-S777 PolarHBondContact O-N 3.2Å; S775-S777 VanDerWaalsContact O-N 3.15Å; S775-S777 PolarHBondContact OG-N 2.96Å; S775-S777 PolarHBondContact OG-OG 3.3Å; S775-D778 WeakPolarHBondContact CB-OD2 3.37Å; S775-D778 CarbonylContact O-C 3.57Å; S775-D778 PolarHBondContact O-N 3.23Å; S775-A779 PolarHBondContact O-N 3.35Å
776P83.6Confident88Confident31 Ų3144.4 Ų44.420%0.20124%0.24CC..G310 helixtrans-54.8-28172.6-25.334.6000113.7L740 D778 L788L740-P776 HydrophobicContact CD1-CG 4.39Å; L740-P776 HydrophobicContact CD2-CG 3.76Å; P776-D778 VanDerWaalsContact C-N 3.31Å; P776-L788 HydrophobicContact CB-CD1 4Å; P776-L788 HydrophobicContact CB-CD2 4.14Å; P776-L788 HydrophobicContact CG-CD1 4.28Å; P776-L788 HydrophobicContact CG-CD2 4Å
777S81.2Confident87.4Confident97 Ų9748.4 Ų48.468%0.67825%0.254SS*.G310 helixtrans-70.4-27.4174.658.50000113.5S775S775-S777 PolarHBondContact O-N 3.2Å; S775-S777 VanDerWaalsContact O-N 3.15Å; S775-S777 PolarHBondContact OG-N 2.96Å; S775-S777 PolarHBondContact OG-OG 3.3Å
778D82.3Confident87.2Confident101 Ų10147.7 Ų47.754%0.5425%0.253SS..G310 helixtrans-104.413.7-171.7-51.6-19.1000111T774 S775 P776 V780T774-D778 HydrophobicContact CG2-CB 4.21Å; T774-D778 WeakPolarHBondContact CG2-O 3.22Å; S775-D778 WeakPolarHBondContact CB-OD2 3.37Å; S775-D778 CarbonylContact O-C 3.57Å; S775-D778 PolarHBondContact O-N 3.23Å; P776-D778 VanDerWaalsContact C-N 3.31Å; D778-V780 WeakPolarHBondContact O-CG2 3.46Å; D778-V780 PolarHBondContact O-N 3.06Å
779A79.9Confident86.8Confident31 Ų3148.6 Ų48.626%0.25626%0.26SS..  trans-53129.6172.900000110.6S775 E783 Y785S775-A779 PolarHBondContact O-N 3.35Å; A779-E783 HydrophobicContact CB-CB 3.77Å; A779-Y785 HydrophobicContact CB-CE2 4.47Å
780V79.7Confident85.9Confident88 Ų8853.4 Ų53.453%0.53329%0.291SS..  trans-106175.6-177.2-145.90000108.4D778 N782 E783D778-V780 WeakPolarHBondContact O-CG2 3.46Å; D778-V780 PolarHBondContact O-N 3.06Å; V780-N782 PolarHBondContact O-N 2.93Å; V780-E783 PolarHBondContact N-OE1 3.33Å; V780-E783 VanDerWaalsContact O-CG 3.25Å; V780-E783 WeakPolarHBondContact O-CG 3.32Å; V780-E783 PolarHBondContact O-N 3.17Å; V780-E783 VanDerWaalsContact O-N 3.13Å; V780-E783 VanDerWaalsContact O-OE1 3.1Å
781N79.3Confident85.5Confident53 Ų5355.6 Ų55.628%0.28330%0.299SS..THydrogen-bonded Turntrans55.532.2173.3-56.2-56.7000114.5R688 I691 E783R688-N781 PolarHBondContact NH2-OD1 3.32Å; I691-N781 HydrophobicContact CD1-CB 3.67Å; N781-E783 PolarHBondContact O-N 2.88Å
782N84.3Confident85.2Confident23 Ų2355 Ų5512%0.12330%0.297CS..THydrogen-bonded Turntrans60.620.2-179.5-59.2-32.9000115.5D602 K606 Q609 P650 F653 V780D602-N782 PolarHBondContact O-ND2 2.94Å; K606-N782 WeakPolarHBondContact CB-OD1 3.36Å; Q609-N782 PolarHBondContact NE2-O 3Å; P650-N782 HydrophobicContact CB-CB 3.91Å; P650-N782 HydrophobicContact CG-CB 3.84Å; F653-N782 WeakPolarHBondContact CD2-O 3.5Å; V780-N782 PolarHBondContact O-N 2.93Å
783E89.2Confident84.9Confident15 Ų1556.3 Ų56.37%0.0731%0.305CS..  trans-49.3140.3171.5-73.3173.8-89.400111.8I691 Y733 R736 A779 V780 N781 Y785I691-E783 HydrophobicContact CG2-CG 3.74Å; Y733-E783 WeakPolarHBondContact CD1-OE2 3.45Å; Y733-E783 HydrophobicContact CE1-CG 4.38Å; Y733-E783 WeakPolarHBondContact CE1-OE2 3.33Å; R736-E783 IonicContact CZ-OE2 2.88Å; R736-E783 IonicContact NH1-OE1 2.79Å; R736-E783 PolarHBondContact NH1-OE1 2.65Å; R736-E783 IonicContact NH1-OE2 3.57Å; R736-E783 PolarHBondContact NH1-OE2 2.99Å; A779-E783 HydrophobicContact CB-CB 3.77Å; V780-E783 PolarHBondContact N-OE1 3.33Å; V780-E783 VanDerWaalsContact O-CG 3.25Å; V780-E783 WeakPolarHBondContact O-CG 3.32Å; V780-E783 PolarHBondContact O-N 3.17Å; V780-E783 VanDerWaalsContact O-N 3.13Å; V780-E783 VanDerWaalsContact O-OE1 3.1Å; N781-E783 PolarHBondContact O-N 2.88Å; E783-Y785 HydrophobicContact CB-CE2 3.96Å; E783-Y785 PolarHBondContact OE2-OH 2.91Å
784C89.7Confident84.7Confident16 Ų1658.7 Ų58.711%0.10832%0.317CS..  trans-139.8112.9-179.2-168.40000112.3F653 A654 N699F653-C784 HydrophobicContact CB-CB 4.33Å; A654-C784 HydrophobicContact CB-CB 4.14Å; N699-C784 PolarHBondContact ND2-O 3.42Å
785Y89Confident84.6Confident23 Ų2360.7 Ų60.79%0.0932%0.32CS..  trans-111.5101.9-178.8-58.7-66.7000110.2H698 A737 L740 A779 E783H698-Y785 HydrophobicContact CB-CD1 3.9Å; H698-Y785 HydrophobicContact CB-CE1 4.37Å; H698-Y785 VanDerWaalsContact CD2-CA 3.49Å; H698-Y785 WeakPolarHBondContact CD2-CA 3.33Å; H698-Y785 AromaticContact CD2-CD1 3.75Å; H698-Y785 AromaticContact CG-CD1 3.65Å; A737-Y785 HydrophobicContact CB-CE1 4.08Å; L740-Y785 HydrophobicContact CD1-CD1 4.05Å; L740-Y785 HydrophobicContact CD1-CD2 3.87Å; L740-Y785 HydrophobicContact CD1-CE1 4.35Å; L740-Y785 HydrophobicContact CD1-CE2 4.2Å; L740-Y785 HydrophobicContact CD1-CG 3.79Å; A779-Y785 HydrophobicContact CB-CE2 4.47Å; E783-Y785 HydrophobicContact CB-CE2 3.96Å; E783-Y785 PolarHBondContact OE2-OH 2.91Å
786R85.2Confident84.9Confident127 Ų12759.3 Ų59.348%0.47931%0.31SS..  trans-86.6-17.4-172.8-60.3-85.6-74.4174.1-4.7113.6T656 N699T656-R786 HydrophobicContact CG2-CB 4.47Å; T656-R786 HydrophobicContact CG2-CG 4.44Å; N699-R786 WeakPolarHBondContact OD1-CB 3.46Å; N699-R786 WeakPolarHBondContact OD1-CG 3.18Å; N699-R786 PolarHBondContact OD1-N 3.3Å
787R78.1Confident85.3Confident96 Ų9657.8 Ų57.836%0.36230%0.3SS..  trans-124.956.7-167.8-56.4-172.987.2139.5-4.3111.7H698 D701 A789H698-R787 PolarHBondContact CE1-O 2.97Å; H698-R787 VanDerWaalsContact CE1-O 3.26Å; H698-R787 VanDerWaalsContact NE2-C 3.29Å; H698-R787 PolarHBondContact NE2-N 2.94Å; H698-R787 PolarHBondContact NE2-O 3.11Å; D701-R787 VanDerWaalsContact CG-NH2 3.26Å; D701-R787 IonicContact OD1-CZ 2.79Å; D701-R787 IonicContact OD1-NE 2.72Å; D701-R787 IonicContact OD1-NH1 3.71Å; D701-R787 PolarHBondContact OD1-NH1 3.18Å; D701-R787 IonicContact OD1-NH2 2.76Å; D701-R787 PolarHBondContact OD1-NH2 3.47Å; D701-R787 IonicContact OD2-CZ 3.82Å; D701-R787 IonicContact OD2-NH1 2.64Å; D701-R787 PolarHBondContact OD2-NH1 3.36Å; D701-R787 IonicContact OD2-NH2 3.16Å; D701-R787 PolarHBondContact OD2-NH2 3.36Å; R787-A789 PolarHBondContact O-N 2.87Å
788L85.9Confident85.6Confident81 Ų8154.4 Ų54.442%0.42428%0.281SS..PPolyproline II helixtrans-65.1120.5173.9-59.8178.5000109.2L740 P776L740-L788 HydrophobicContact CB-CD2 4.05Å; L740-L788 HydrophobicContact CD1-CD2 4.08Å; L740-L788 HydrophobicContact CD2-CD2 4.08Å; L740-L788 HydrophobicContact CG-CD2 4.29Å; P776-L788 HydrophobicContact CB-CD1 4Å; P776-L788 HydrophobicContact CB-CD2 4.14Å; P776-L788 HydrophobicContact CG-CD1 4.28Å; P776-L788 HydrophobicContact CG-CD2 4Å
789A84.8Confident85.9Confident18 Ų1852.6 Ų52.615%0.14927%0.267CS..PPolyproline II helixtrans-64.9144.7169.100000109.1L740 N742 R787 F791 C792L740-A789 WeakPolarHBondContact O-CB 3.45Å; L740-A789 PolarHBondContact O-N 2.72Å; N742-A789 HydrophobicContact CB-CB 4.25Å; R787-A789 PolarHBondContact O-N 2.87Å; A789-F791 PolarHBondContact O-N 3.43Å; A789-C792 HydrophobicContact CB-CB 4.47Å; A789-C792 VanDerWaalsContact O-CB 3.27Å; A789-C792 WeakPolarHBondContact O-CB 3.26Å; A789-C792 PolarHBondContact O-N 3.11Å; A789-C792 PolarHBondContact O-SG 3.11Å; A789-C792 VanDerWaalsContact O-SG 3.41Å
790P77.2Confident86.6Confident101 Ų10151.1 Ų51.166%0.65626%0.255SS*.THydrogen-bonded Turntrans-52.6138.7173.4-25.433.9000111.2C792P790-C792 PolarHBondContact O-N 3.42Å; P790-C792 VanDerWaalsContact O-N 3.13Å
791F84.6Confident87.1Confident157 Ų15747.6 Ų47.669%0.68923%0.233SC*.THydrogen-bonded Turntrans53.531.5178.5-46.6-73.9000114A789 V793 E794 R795A789-F791 PolarHBondContact O-N 3.43Å; F791-V793 VanDerWaalsContact C-N 3.28Å; F791-V793 PolarHBondContact O-N 3.27Å; F791-E794 VanDerWaalsContact C-OE2 3.3Å; F791-E794 WeakPolarHBondContact CA-OE2 3.04Å; F791-E794 HydrophobicContact CB-CB 4.33Å; F791-E794 PolarHBondContact O-N 2.98Å; F791-R795 WeakPolarHBondContact O-CB 3.29Å; F791-R795 PolarHBondContact O-N 2.92Å
792C86.4Confident87.6Confident9 Ų951.2 Ų51.26%0.06125%0.248CC..Hα-helixtrans-59.9-39.2-177.353.80000112.3L740 A789 P790 R795 I796L740-C792 HydrophobicContact CD2-CB 4.36Å; A789-C792 HydrophobicContact CB-CB 4.47Å; A789-C792 VanDerWaalsContact O-CB 3.27Å; A789-C792 WeakPolarHBondContact O-CB 3.26Å; A789-C792 PolarHBondContact O-N 3.11Å; A789-C792 PolarHBondContact O-SG 3.11Å; A789-C792 VanDerWaalsContact O-SG 3.41Å; P790-C792 PolarHBondContact O-N 3.42Å; P790-C792 VanDerWaalsContact O-N 3.13Å; C792-R795 PolarHBondContact O-N 3.45Å; C792-I796 WeakPolarHBondContact O-CB 3.39Å; C792-I796 WeakPolarHBondContact O-CD1 3.33Å; C792-I796 WeakPolarHBondContact O-CG1 3.36Å; C792-I796 PolarHBondContact O-N 3.21Å
793V89Confident87.9Confident30 Ų3051.8 Ų51.818%0.18225%0.251CS..Hα-helixtrans-64.5-49.4178.9-1770000110.5F791 R795 I796 A797 Y833 P835F791-V793 VanDerWaalsContact C-N 3.28Å; F791-V793 PolarHBondContact O-N 3.27Å; V793-R795 VanDerWaalsContact C-N 3.34Å; V793-R795 PolarHBondContact O-N 2.92Å; V793-I796 PolarHBondContact O-N 3.28Å; V793-A797 VanDerWaalsContact O-CB 3.28Å; V793-A797 WeakPolarHBondContact O-CB 3.5Å; V793-A797 PolarHBondContact O-N 3.46Å; V793-Y833 HydrophobicContact CG1-CD1 4.25Å; V793-Y833 HydrophobicContact CG1-CE1 3.72Å; V793-Y833 HydrophobicContact CG1-CE2 4.1Å; V793-P835 HydrophobicContact CG1-CG 4.38Å
794E89.6Confident88Confident65 Ų6551.1 Ų51.130%0.30425%0.248SC..Hα-helixtrans-59.7-43.6177.1-66.781.1171.800111.7F791 G798 P835 V838F791-E794 VanDerWaalsContact C-OE2 3.3Å; F791-E794 WeakPolarHBondContact CA-OE2 3.04Å; F791-E794 HydrophobicContact CB-CB 4.33Å; F791-E794 PolarHBondContact O-N 2.98Å; E794-G798 PolarHBondContact O-N 3.23Å; E794-P835 HydrophobicContact CG-CG 3.73Å; E794-V838 HydrophobicContact CB-CG2 4.16Å; E794-V838 HydrophobicContact CG-CG2 4.32Å
795R91.8Very high87.7Confident79 Ų7952.7 Ų52.730%0.29825%0.254SS..Hα-helixtrans-65.2-47.3179.5-177.4-179.362.9-122.8-4.7111.7L739 N742 F791 C792 V793 Y799L739-R795 PolarHBondContact O-NH2 3.43Å; N742-R795 PolarHBondContact OD1-NE 3.3Å; N742-R795 VanDerWaalsContact OD1-NE 3.11Å; F791-R795 WeakPolarHBondContact O-CB 3.29Å; F791-R795 PolarHBondContact O-N 2.92Å; C792-R795 PolarHBondContact O-N 3.45Å; V793-R795 VanDerWaalsContact C-N 3.34Å; V793-R795 PolarHBondContact O-N 2.92Å; R795-Y799 WeakPolarHBondContact O-CB 3.48Å; R795-Y799 PolarHBondContact O-N 3.42Å
796I92.3Very high87.6Confident4 Ų454 Ų542%0.02127%0.265CS..Hα-helixtrans-61.5-49178.2-68.6163.5000109.1L739 L740 V772 Y773 C792 V793 Y799 S800 Y833L739-I796 HydrophobicContact CB-CD1 3.73Å; L739-I796 HydrophobicContact CB-CG1 3.96Å; L739-I796 HydrophobicContact CD2-CG1 4.49Å; L740-I796 HydrophobicContact CD2-CD1 4.13Å; V772-I796 HydrophobicContact CG1-CG2 4.37Å; Y773-I796 HydrophobicContact CE1-CG2 4.28Å; C792-I796 WeakPolarHBondContact O-CB 3.39Å; C792-I796 WeakPolarHBondContact O-CD1 3.33Å; C792-I796 WeakPolarHBondContact O-CG1 3.36Å; C792-I796 PolarHBondContact O-N 3.21Å; V793-I796 PolarHBondContact O-N 3.28Å; I796-Y799 PolarHBondContact O-N 3.08Å; I796-S800 WeakPolarHBondContact O-CB 3.38Å; I796-S800 PolarHBondContact O-N 3.15Å; I796-S800 PolarHBondContact O-OG 3.43Å; I796-S800 VanDerWaalsContact O-OG 3.13Å; I796-Y833 HydrophobicContact CB-CE1 4.17Å; I796-Y833 HydrophobicContact CG2-CE1 3.94Å
797A91Very high87.7Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-61.2-47.9179.800000112V793 Y799 S800 V801 L830 Y833 A834 V838V793-A797 VanDerWaalsContact O-CB 3.28Å; V793-A797 WeakPolarHBondContact O-CB 3.5Å; V793-A797 PolarHBondContact O-N 3.46Å; A797-Y799 VanDerWaalsContact C-N 3.33Å; A797-Y799 PolarHBondContact O-N 3.36Å; A797-S800 PolarHBondContact O-N 3Å; A797-V801 WeakPolarHBondContact O-CG2 3.4Å; A797-V801 PolarHBondContact O-N 3.37Å; A797-L830 HydrophobicContact CB-CD1 3.95Å; A797-Y833 HydrophobicContact CB-CD1 4.38Å; A797-Y833 HydrophobicContact CB-CE1 4.44Å; A797-A834 HydrophobicContact CB-CB 3.88Å; A797-V838 HydrophobicContact CB-CG1 4.19Å; A797-V838 HydrophobicContact CB-CG2 4.24Å
798G87.7Confident88.1Confident26 Ų2643.6 Ų43.627%0.26823%0.226SC..Hα-helixtrans-61-38.8178.200000113.2E794 Q802E794-G798 PolarHBondContact O-N 3.23Å; G798-Q802 PolarHBondContact O-N 2.94Å
799Y90.5Very high87.8Confident63 Ų6345.2 Ų45.225%0.24723%0.231CC..Hα-helixtrans-70.2-41.2175.6-165.2-101.5000112I747 L750 E751 R795 I796 A797 V801 Q802 L803I747-Y799 HydrophobicContact CG2-CD1 4.39Å; I747-Y799 HydrophobicContact CG2-CE1 3.49Å; I747-Y799 VanDerWaalsContact CG2-CE1 3.49Å; I747-Y799 HydrophobicContact CG2-CE2 4.34Å; I747-Y799 VanDerWaalsContact CG2-CZ 3.45Å; I747-Y799 WeakPolarHBondContact CG2-OH 3.31Å; L750-Y799 HydrophobicContact CD2-CD1 3.85Å; L750-Y799 HydrophobicContact CD2-CE1 4.49Å; E751-Y799 HydrophobicContact CG-CE1 4.22Å; E751-Y799 PolarHBondContact OE1-OH 2.8Å; R795-Y799 WeakPolarHBondContact O-CB 3.48Å; R795-Y799 PolarHBondContact O-N 3.42Å; I796-Y799 PolarHBondContact O-N 3.08Å; A797-Y799 VanDerWaalsContact C-N 3.33Å; A797-Y799 PolarHBondContact O-N 3.36Å; Y799-V801 VanDerWaalsContact C-N 3.31Å; Y799-V801 PolarHBondContact O-N 2.84Å; Y799-Q802 WeakPolarHBondContact O-CB 3.25Å; Y799-Q802 PolarHBondContact O-N 2.97Å; Y799-Q802 VanDerWaalsContact O-N 3.11Å; Y799-L803 HydrophobicContact CD1-CD1 3.94Å; Y799-L803 HydrophobicContact CD1-CG 4.35Å; Y799-L803 HydrophobicContact CE1-CD1 3.79Å; Y799-L803 HydrophobicContact CE1-CD2 4.42Å; Y799-L803 HydrophobicContact CE1-CG 4.18Å; Y799-L803 PolarHBondContact O-N 2.9Å
800S93.7Very high87.6Confident0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-60.7-37.9174.1-71.60000112.9Y773 I796 A797 Q802 L803 L804Y773-S800 WeakPolarHBondContact CE1-OG 3.49Å; Y773-S800 WeakPolarHBondContact OH-CB 3.32Å; Y773-S800 PolarHBondContact OH-OG 3.06Å; I796-S800 WeakPolarHBondContact O-CB 3.38Å; I796-S800 PolarHBondContact O-N 3.15Å; I796-S800 PolarHBondContact O-OG 3.43Å; I796-S800 VanDerWaalsContact O-OG 3.13Å; A797-S800 PolarHBondContact O-N 3Å; S800-Q802 VanDerWaalsContact C-N 3.3Å; S800-Q802 PolarHBondContact O-N 3.32Å; S800-L803 PolarHBondContact O-N 3.35Å; S800-L804 VanDerWaalsContact O-CB 3.29Å; S800-L804 WeakPolarHBondContact O-CB 3.47Å; S800-L804 PolarHBondContact O-N 3.37Å
801V90.3Very high87.6Confident13 Ų1344.4 Ų44.48%0.07922%0.216CC..Hα-helixtrans-57.9-42.9172.9167.40000111A797 Y799 L803 L804 H805 L830 V838 V840 F845A797-V801 WeakPolarHBondContact O-CG2 3.4Å; A797-V801 PolarHBondContact O-N 3.37Å; Y799-V801 VanDerWaalsContact C-N 3.31Å; Y799-V801 PolarHBondContact O-N 2.84Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 3.15Å; V801-L804 PolarHBondContact O-N 3.41Å; V801-H805 PolarHBondContact O-N 2.94Å; V801-H805 VanDerWaalsContact O-N 3.11Å; V801-L830 HydrophobicContact CG2-CD2 3.9Å; V801-V838 HydrophobicContact CG2-CG1 4.41Å; V801-V840 HydrophobicContact CG2-CG1 4.31Å; V801-V840 HydrophobicContact CG2-CG2 4.17Å; V801-F845 HydrophobicContact CG1-CE2 4.17Å; V801-F845 HydrophobicContact CG1-CZ 4Å
802Q89.2Confident86.5Confident130 Ų13045.8 Ų45.861%0.60722%0.222SC*.Hα-helixtrans-65.4-33.5178.3-66.6176.4-300112.9G798 Y799 S800 P806G798-Q802 PolarHBondContact O-N 2.94Å; Y799-Q802 WeakPolarHBondContact O-CB 3.25Å; Y799-Q802 PolarHBondContact O-N 2.97Å; Y799-Q802 VanDerWaalsContact O-N 3.11Å; S800-Q802 VanDerWaalsContact C-N 3.3Å; S800-Q802 PolarHBondContact O-N 3.32Å; Q802-P806 WeakPolarHBondContact O-CD 3.16Å
803L91.7Very high85.2Confident35 Ų3548.6 Ų48.618%0.18324%0.242CC..Hα-helixtrans-78-29.2176.1-63.4175.8000112.8L750 E751 F754 Y799 S800 V801L750-L803 HydrophobicContact CD2-CD1 4.35Å; L750-L803 HydrophobicContact CG-CD1 3.95Å; E751-L803 HydrophobicContact CG-CD1 4.32Å; E751-L803 HydrophobicContact CG-CD2 4.13Å; F754-L803 HydrophobicContact CB-CB 4.34Å; F754-L803 HydrophobicContact CB-CD1 4.42Å; F754-L803 HydrophobicContact CD1-CB 3.38Å; F754-L803 HydrophobicContact CD1-CD1 4.46Å; F754-L803 HydrophobicContact CD2-CB 4.17Å; F754-L803 HydrophobicContact CD2-CD1 3.77Å; F754-L803 HydrophobicContact CE1-CB 3.58Å; F754-L803 HydrophobicContact CE2-CB 4.3Å; F754-L803 HydrophobicContact CE2-CD1 4.08Å; F754-L803 HydrophobicContact CG-CB 3.71Å; F754-L803 HydrophobicContact CG-CD1 3.97Å; F754-L803 HydrophobicContact CG-CG 4.46Å; F754-L803 HydrophobicContact CZ-CB 4.04Å; Y799-L803 HydrophobicContact CD1-CD1 3.94Å; Y799-L803 HydrophobicContact CD1-CG 4.35Å; Y799-L803 HydrophobicContact CE1-CD1 3.79Å; Y799-L803 HydrophobicContact CE1-CD2 4.42Å; Y799-L803 HydrophobicContact CE1-CG 4.18Å; Y799-L803 PolarHBondContact O-N 2.9Å; S800-L803 PolarHBondContact O-N 3.35Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 3.15Å
804L90Very high83.5Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-76.2-33-178.7-164.364.7000112.3F754 S800 V801 L807 F808 T823 T826 F827 L830 F845F754-L804 HydrophobicContact CE1-CB 3.96Å; F754-L804 HydrophobicContact CE1-CD1 3.96Å; S800-L804 VanDerWaalsContact O-CB 3.29Å; S800-L804 WeakPolarHBondContact O-CB 3.47Å; S800-L804 PolarHBondContact O-N 3.37Å; V801-L804 PolarHBondContact O-N 3.41Å; L804-L807 WeakPolarHBondContact O-CB 3.22Å; L804-L807 PolarHBondContact O-N 3.3Å; L804-F808 HydrophobicContact CD1-CD2 4.43Å; L804-F808 HydrophobicContact CD1-CE2 4.09Å; L804-F808 HydrophobicContact CD2-CD2 4.42Å; L804-F808 HydrophobicContact CD2-CE2 3.84Å; L804-F808 HydrophobicContact CG-CD2 3.82Å; L804-F808 HydrophobicContact CG-CE2 3.63Å; L804-F808 WeakPolarHBondContact O-CD2 3.38Å; L804-F808 PolarHBondContact O-N 3.15Å; L804-F808 VanDerWaalsContact O-N 3.13Å; L804-T823 HydrophobicContact CD1-CG2 3.9Å; L804-T826 HydrophobicContact CD1-CG2 4.1Å; L804-F827 HydrophobicContact CD2-CB 3.99Å; L804-F827 HydrophobicContact CD2-CD2 3.61Å; L804-F827 HydrophobicContact CD2-CG 4.27Å; L804-L830 HydrophobicContact CD2-CD2 4Å; L804-F845 HydrophobicContact CD2-CE1 4.39Å; L804-F845 HydrophobicContact CG-CE1 4.48Å
805H84.6Confident82Confident49 Ų4958 Ų5823%0.22730%0.296CS..Hα-helixtrans-60.3-48.9-177.8-176.575.4000113.8V801 L807 F808 Q809V801-H805 PolarHBondContact O-N 2.94Å; V801-H805 VanDerWaalsContact O-N 3.11Å; H805-L807 VanDerWaalsContact C-N 3.34Å; H805-L807 PolarHBondContact O-N 3.43Å; H805-F808 PolarHBondContact O-N 3.19Å; H805-Q809 PolarHBondContact CD2-NE2 3.09Å; H805-Q809 PolarHBondContact NE2-NE2 3.2Å; H805-Q809 WeakPolarHBondContact O-CG 3.31Å; H805-Q809 PolarHBondContact O-N 3.5Å; H805-Q809 VanDerWaalsContact O-N 3.12Å
806P86.8Confident81.3Confident51 Ų5157.6 Ų57.633%0.33130%0.298SS..Hα-helixtrans-60-38.9174.7-23.532.5000113.7Q802 F808 Q809 E810Q802-P806 WeakPolarHBondContact O-CD 3.16Å; P806-F808 VanDerWaalsContact C-N 3.33Å; P806-F808 PolarHBondContact O-N 3.46Å; P806-Q809 PolarHBondContact O-N 3.22Å; P806-E810 WeakPolarHBondContact O-CG 3.44Å; P806-E810 PolarHBondContact O-N 3.05Å; P806-E810 VanDerWaalsContact O-N 3.13Å
807L87.5Confident80.7Confident0 Ų060.7 Ų60.70%031%0.312CS..Hα-helixtrans-59.2-44.8176.9-85.7160.6000111.3F754 L757 R758 L804 H805 Q809 E810 L819 T823F754-L807 HydrophobicContact CB-CD1 4.49Å; F754-L807 HydrophobicContact CD1-CD1 3.47Å; F754-L807 VanDerWaalsContact CD1-CD1 3.47Å; F754-L807 HydrophobicContact CE1-CD1 4.14Å; F754-L807 HydrophobicContact CG-CD1 4.41Å; L757-L807 HydrophobicContact CD1-CD1 3.85Å; R758-L807 HydrophobicContact CG-CD2 3.84Å; L804-L807 WeakPolarHBondContact O-CB 3.22Å; L804-L807 PolarHBondContact O-N 3.3Å; H805-L807 VanDerWaalsContact C-N 3.34Å; H805-L807 PolarHBondContact O-N 3.43Å; L807-Q809 VanDerWaalsContact C-N 3.34Å; L807-Q809 PolarHBondContact O-N 3.09Å; L807-E810 PolarHBondContact O-N 2.88Å; L807-L819 HydrophobicContact CD2-CD1 4.24Å; L807-T823 HydrophobicContact CB-CG2 4.16Å
808F85.7Confident80.4Confident5 Ų565.5 Ų65.52%0.02233%0.334CS..Hα-helixtrans-66.6-33.7176.8-86.3-59.2000113.2L804 H805 P806 E810 L811 T823 F827 F845 P848 M849L804-F808 HydrophobicContact CD1-CD2 4.43Å; L804-F808 HydrophobicContact CD1-CE2 4.09Å; L804-F808 HydrophobicContact CD2-CD2 4.42Å; L804-F808 HydrophobicContact CD2-CE2 3.84Å; L804-F808 HydrophobicContact CG-CD2 3.82Å; L804-F808 HydrophobicContact CG-CE2 3.63Å; L804-F808 WeakPolarHBondContact O-CD2 3.38Å; L804-F808 PolarHBondContact O-N 3.15Å; L804-F808 VanDerWaalsContact O-N 3.13Å; H805-F808 PolarHBondContact O-N 3.19Å; P806-F808 VanDerWaalsContact C-N 3.33Å; P806-F808 PolarHBondContact O-N 3.46Å; F808-E810 VanDerWaalsContact C-N 3.3Å; F808-E810 PolarHBondContact O-N 3.39Å; F808-L811 HydrophobicContact CD1-CD1 3.8Å; F808-L811 HydrophobicContact CE1-CD1 4.41Å; F808-L811 PolarHBondContact O-N 3.43Å; F808-T823 HydrophobicContact CD1-CG2 3.85Å; F808-T823 HydrophobicContact CD2-CG2 4.04Å; F808-T823 HydrophobicContact CE1-CG2 3.67Å; F808-T823 HydrophobicContact CE2-CG2 3.87Å; F808-T823 HydrophobicContact CG-CG2 4.05Å; F808-T823 HydrophobicContact CZ-CG2 3.68Å; F808-F827 HydrophobicContact CE2-CB 4.28Å; F808-F827 AromaticContact CE2-CD2 3.88Å; F808-F827 HydrophobicContact CE2-CD2 3.88Å; F808-F827 HydrophobicContact CE2-CG 4.41Å; F808-F827 HydrophobicContact CZ-CB 4.12Å; F808-F827 HydrophobicContact CZ-CD2 4.23Å; F808-F827 HydrophobicContact CZ-CG 4.37Å; F808-F845 AromaticContact CD2-CD1 3.69Å; F808-F845 HydrophobicContact CD2-CD1 3.69Å; F808-F845 AromaticContact CD2-CE1 3.73Å; F808-F845 HydrophobicContact CD2-CE1 3.73Å; F808-F845 AromaticContact CE2-CD1 3.92Å; F808-F845 HydrophobicContact CE2-CD1 3.92Å; F808-F845 HydrophobicContact CE2-CE1 4.07Å; F808-P848 HydrophobicContact CB-CB 3.71Å; F808-P848 HydrophobicContact CB-CG 3.64Å; F808-P848 HydrophobicContact CD1-CB 3.34Å; F808-P848 HydrophobicContact CD1-CG 4.24Å; F808-P848 HydrophobicContact CE1-CB 4.06Å; F808-P848 HydrophobicContact CG-CB 3.65Å; F808-P848 HydrophobicContact CG-CG 4.06Å; F808-M849 HydrophobicContact CE1-CE 4Å; F808-M849 HydrophobicContact CE2-CE 4.07Å; F808-M849 HydrophobicContact CZ-CE 3.42Å; F808-M849 VanDerWaalsContact CZ-CE 3.42Å
809Q80.6Confident80.4Confident114 Ų11464.9 Ų64.953%0.53333%0.325SS..Hα-helixtrans-69.2-25.5176.4-70.5-174.5-8.300113.8H805 P806 L807 L811 K812H805-Q809 PolarHBondContact CD2-NE2 3.09Å; H805-Q809 PolarHBondContact NE2-NE2 3.2Å; H805-Q809 WeakPolarHBondContact O-CG 3.31Å; H805-Q809 PolarHBondContact O-N 3.5Å; H805-Q809 VanDerWaalsContact O-N 3.12Å; P806-Q809 PolarHBondContact O-N 3.22Å; L807-Q809 VanDerWaalsContact C-N 3.34Å; L807-Q809 PolarHBondContact O-N 3.09Å; Q809-L811 VanDerWaalsContact C-N 3.31Å; Q809-K812 VanDerWaalsContact O-CE 3.3Å; Q809-K812 WeakPolarHBondContact O-CE 3.27Å
810E79Confident80.3Confident79 Ų7962.9 Ų62.937%0.36932%0.318SS..Hα-helixtrans-74.2-21.5178.6-73.2168.3-148.100112.6R758 P806 L807 F808 K812 Q816R758-E810 IonicContact CZ-OE1 2.98Å; R758-E810 IonicContact CZ-OE2 2.76Å; R758-E810 IonicContact NE-OE1 2.61Å; R758-E810 PolarHBondContact NE-OE1 3.29Å; R758-E810 IonicContact NE-OE2 2.62Å; R758-E810 PolarHBondContact NE-OE2 3.03Å; R758-E810 IonicContact NH2-OE1 3.25Å; R758-E810 PolarHBondContact NH2-OE1 3.21Å; R758-E810 IonicContact NH2-OE2 2.78Å; P806-E810 WeakPolarHBondContact O-CG 3.44Å; P806-E810 PolarHBondContact O-N 3.05Å; P806-E810 VanDerWaalsContact O-N 3.13Å; L807-E810 PolarHBondContact O-N 2.88Å; F808-E810 VanDerWaalsContact C-N 3.3Å; F808-E810 PolarHBondContact O-N 3.39Å; E810-K812 PolarHBondContact O-N 2.79Å; E810-Q816 PolarHBondContact O-OE1 3.19Å
811L78.2Confident80Confident24 Ų2464.9 Ų64.913%0.12633%0.327CS..  trans-75.779.3-177.3-64166.7000111.4F808 Q809 Q816 L819 M820 T823F808-L811 HydrophobicContact CD1-CD1 3.8Å; F808-L811 HydrophobicContact CE1-CD1 4.41Å; F808-L811 PolarHBondContact O-N 3.43Å; Q809-L811 VanDerWaalsContact C-N 3.31Å; L811-Q816 HydrophobicContact CD2-CB 4.13Å; L811-L819 HydrophobicContact CD2-CB 4.2Å; L811-L819 HydrophobicContact CD2-CD2 3.91Å; L811-L819 HydrophobicContact CD2-CG 3.9Å; L811-M820 HydrophobicContact CB-CE 3.92Å; L811-M820 HydrophobicContact CD1-CE 3.69Å; L811-M820 HydrophobicContact CD1-SD 3.75Å; L811-M820 HydrophobicContact CD2-CB 4.3Å; L811-M820 HydrophobicContact CD2-CE 4.31Å; L811-M820 HydrophobicContact CG-CE 4.19Å; L811-T823 HydrophobicContact CD1-CG2 4.43Å
812K62.2Low80Confident186 Ų18664.6 Ų64.681%0.80933%0.325SS*.  trans-106.1-7.9-175.7-66.3-175.7-178.1178.20115.2Q809 E810Q809-K812 VanDerWaalsContact O-CE 3.3Å; Q809-K812 WeakPolarHBondContact O-CE 3.27Å; E810-K812 PolarHBondContact O-N 2.79Å
813S57.8Low80.1Confident67 Ų6758.4 Ų58.447%0.46930%0.296SS..SBendtrans-143.8156-174.963.50000113.1E815S813-E815 PolarHBondContact O-N 3.31Å; S813-E815 VanDerWaalsContact O-N 3.12Å
814S54Low80Confident114 Ų11456.8 Ų56.880%0.79729%0.288SS*.G310 helixtrans-67.7-6.5178.477.90000113.9Q816S814-Q816 PolarHBondContact O-N 3.49Å
815E58.3Low80.1Confident180 Ų18059.9 Ų59.984%0.84130%0.302SS*.G310 helixtrans-78.1-4.2-179.6-66.7-176.3160.300113.3S813S813-E815 PolarHBondContact O-N 3.31Å; S813-E815 VanDerWaalsContact O-N 3.12Å
816Q76Confident80.5Confident70 Ų7057.6 Ų57.633%0.32729%0.292SS..G310 helixtrans-111.334.7-175.8-65.5-175.1-36.100113.4E810 L811 S814 E818 L819 M820E810-Q816 PolarHBondContact O-OE1 3.19Å; L811-Q816 HydrophobicContact CD2-CB 4.13Å; S814-Q816 PolarHBondContact O-N 3.49Å; Q816-E818 VanDerWaalsContact C-N 3.32Å; Q816-E818 PolarHBondContact O-N 3.09Å; Q816-L819 HydrophobicContact CB-CB 4.29Å; Q816-L819 PolarHBondContact O-N 3.33Å; Q816-L819 VanDerWaalsContact O-N 3.08Å; Q816-M820 PolarHBondContact O-N 2.93Å
817E80.3Confident80.8Confident69 Ų6955.3 Ų55.332%0.32228%0.276SS..Hα-helixtrans-65.4-30.3-172.5-165.5155.4-150.800114E821 A856 K857E817-E821 PolarHBondContact O-N 3.16Å; E817-E821 VanDerWaalsContact O-N 3.08Å; E817-A856 WeakPolarHBondContact OE1-CA 3.31Å; E817-A856 WeakPolarHBondContact OE1-CB 3.44Å; E817-A856 PolarHBondContact OE1-N 3.08Å; E817-K857 HydrophobicContact CG-CD 4.24Å; E817-K857 HydrophobicContact CG-CG 4.31Å
818E84.2Confident80.9Confident100 Ų10056.7 Ų56.747%0.46729%0.288SS..Hα-helixtrans-72.1-34.2171.6-68.2-176.4176.200113.4Q816 R822Q816-E818 VanDerWaalsContact C-N 3.32Å; Q816-E818 PolarHBondContact O-N 3.09Å; E818-R822 WeakPolarHBondContact O-CG 3.49Å; E818-R822 PolarHBondContact O-N 3.45Å; E818-R822 PolarHBondContact O-NE 3.12Å
819L87.8Confident81.2Confident13 Ų1358.4 Ų58.47%0.06830%0.297CS..Hα-helixtrans-71.6-40.9175.1-179.761.1000110.3L757 L807 L811 Q816 E821 R822 T823L757-L819 WeakPolarHBondContact O-CD1 3.25Å; L807-L819 HydrophobicContact CD2-CD1 4.24Å; L811-L819 HydrophobicContact CD2-CB 4.2Å; L811-L819 HydrophobicContact CD2-CD2 3.91Å; L811-L819 HydrophobicContact CD2-CG 3.9Å; Q816-L819 HydrophobicContact CB-CB 4.29Å; Q816-L819 PolarHBondContact O-N 3.33Å; Q816-L819 VanDerWaalsContact O-N 3.08Å; L819-E821 VanDerWaalsContact C-N 3.31Å; L819-E821 PolarHBondContact O-N 3.13Å; L819-R822 PolarHBondContact O-N 2.62Å; L819-T823 WeakPolarHBondContact O-CB 3.4Å; L819-T823 PolarHBondContact O-N 2.69Å; L819-T823 PolarHBondContact O-OG1 3.11Å
820M88.1Confident81.8Confident22 Ų2253 Ų5311%0.10827%0.272CS..Hα-helixtrans-56.9-45.2174.1-179.665.674.900111.2L811 Q816 T823 C824 A851 A852 V860L811-M820 HydrophobicContact CB-CE 3.92Å; L811-M820 HydrophobicContact CD1-CE 3.69Å; L811-M820 HydrophobicContact CD1-SD 3.75Å; L811-M820 HydrophobicContact CD2-CB 4.3Å; L811-M820 HydrophobicContact CD2-CE 4.31Å; L811-M820 HydrophobicContact CG-CE 4.19Å; Q816-M820 PolarHBondContact O-N 2.93Å; M820-T823 PolarHBondContact O-N 3.41Å; M820-C824 WeakPolarHBondContact O-CB 3.06Å; M820-C824 PolarHBondContact O-N 3.11Å; M820-C824 PolarHBondContact O-SG 3.4Å; M820-A851 HydrophobicContact CE-CB 4.28Å; M820-A852 HydrophobicContact SD-CB 4.13Å; M820-V860 HydrophobicContact CG-CG1 3.81Å; M820-V860 HydrophobicContact CG-CG2 4.43Å; M820-V860 HydrophobicContact SD-CG1 4.45Å
821E88.1Confident82.3Confident41 Ų4150.1 Ų50.119%0.19226%0.258CS..Hα-helixtrans-56.9-57175.6-177169.1-130.700112.3E817 L819 T823 C824 E825 K857 S859 V860E817-E821 PolarHBondContact O-N 3.16Å; E817-E821 VanDerWaalsContact O-N 3.08Å; L819-E821 VanDerWaalsContact C-N 3.31Å; L819-E821 PolarHBondContact O-N 3.13Å; E821-T823 VanDerWaalsContact C-N 3.27Å; E821-T823 PolarHBondContact O-N 2.79Å; E821-C824 PolarHBondContact O-N 2.96Å; E821-C824 VanDerWaalsContact O-N 3.16Å; E821-E825 HydrophobicContact CG-CG 4.47Å; E821-E825 WeakPolarHBondContact O-CG 2.81Å; E821-E825 PolarHBondContact O-N 3.2Å; E821-K857 HydrophobicContact CB-CD 3.98Å; E821-K857 HydrophobicContact CG-CD 4.21Å; E821-K857 WeakPolarHBondContact OE2-CD 3.47Å; E821-K857 WeakPolarHBondContact OE2-CE 3.5Å; E821-K857 IonicContact OE2-NZ 2.85Å; E821-K857 PolarHBondContact OE2-NZ 3.49Å; E821-S859 PolarHBondContact OE1-OG 2.99Å; E821-S859 VanDerWaalsContact OE1-OG 3.04Å; E821-V860 HydrophobicContact CB-CG2 3.97Å; E821-V860 HydrophobicContact CG-CG2 4.32Å
822R90.4Very high82.7Confident7 Ų755.8 Ų55.83%0.02629%0.288CS..Hα-helixtrans-62.1-34.4-178.2-69.2175.4-73.7168.7-1.9113L757 V759 V766 E818 L819 T826L757-R822 HydrophobicContact CD2-CB 4.2Å; L757-R822 PolarHBondContact O-NH1 3.31Å; L757-R822 PolarHBondContact O-NH2 3.28Å; V759-R822 PolarHBondContact O-NH1 3.48Å; V766-R822 HydrophobicContact CG2-CB 3.95Å; V766-R822 HydrophobicContact CG2-CG 4Å; E818-R822 WeakPolarHBondContact O-CG 3.49Å; E818-R822 PolarHBondContact O-N 3.45Å; E818-R822 PolarHBondContact O-NE 3.12Å; L819-R822 PolarHBondContact O-N 2.62Å; R822-T826 WeakPolarHBondContact O-CB 3.36Å; R822-T826 PolarHBondContact O-N 3.07Å; R822-T826 PolarHBondContact O-OG1 3.5Å
823T91.2Very high84.1Confident0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-69.4-42.5177.2-530000111.1L804 L807 F808 L811 L819 M820 E821 T826 F827L804-T823 HydrophobicContact CD1-CG2 3.9Å; L807-T823 HydrophobicContact CB-CG2 4.16Å; F808-T823 HydrophobicContact CD1-CG2 3.85Å; F808-T823 HydrophobicContact CD2-CG2 4.04Å; F808-T823 HydrophobicContact CE1-CG2 3.67Å; F808-T823 HydrophobicContact CE2-CG2 3.87Å; F808-T823 HydrophobicContact CG-CG2 4.05Å; F808-T823 HydrophobicContact CZ-CG2 3.68Å; L811-T823 HydrophobicContact CD1-CG2 4.43Å; L819-T823 WeakPolarHBondContact O-CB 3.4Å; L819-T823 PolarHBondContact O-N 2.69Å; L819-T823 PolarHBondContact O-OG1 3.11Å; M820-T823 PolarHBondContact O-N 3.41Å; E821-T823 VanDerWaalsContact C-N 3.27Å; E821-T823 PolarHBondContact O-N 2.79Å; T823-T826 PolarHBondContact O-N 3.42Å; T823-F827 WeakPolarHBondContact O-CB 3.34Å; T823-F827 PolarHBondContact O-N 2.91Å
824C90.3Very high85.4Confident1 Ų145.3 Ų45.31%0.00724%0.236CC..Hα-helixtrans-70.3-38.2177-68.20000112.5M820 E821 T826 F827 A828 V860 V863M820-C824 WeakPolarHBondContact O-CB 3.06Å; M820-C824 PolarHBondContact O-N 3.11Å; M820-C824 PolarHBondContact O-SG 3.4Å; E821-C824 PolarHBondContact O-N 2.96Å; E821-C824 VanDerWaalsContact O-N 3.16Å; C824-T826 VanDerWaalsContact C-N 3.35Å; C824-F827 WeakPolarHBondContact O-CB 3.39Å; C824-F827 PolarHBondContact O-N 3.5Å; C824-A828 PolarHBondContact O-N 2.98Å; C824-V860 HydrophobicContact CB-CG1 4.39Å; C824-V860 HydrophobicContact CB-CG2 4.41Å; C824-V863 HydrophobicContact CB-CB 4.35Å; C824-V863 HydrophobicContact CB-CG1 4.36Å; C824-V863 HydrophobicContact CB-CG2 4.48Å
825E91.3Very high86.7Confident66 Ų6641.7 Ų41.731%0.30821%0.21SC..Hα-helixtrans-61.2-44.9172-74.3178172.100111.1V766 E821 F827 A828 L829V766-E825 HydrophobicContact CG1-CB 4.08Å; E821-E825 HydrophobicContact CG-CG 4.47Å; E821-E825 WeakPolarHBondContact O-CG 2.81Å; E821-E825 PolarHBondContact O-N 3.2Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 2.96Å; E825-A828 PolarHBondContact O-N 3.44Å; E825-L829 WeakPolarHBondContact O-CG 3.47Å; E825-L829 PolarHBondContact O-N 3.15Å
826T93.2Very high87.5Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-60.8-41.6175.1-60.60000111.9F754 L757 L769 Y773 L804 R822 T823 C824 L829 L830F754-T826 HydrophobicContact CE1-CG2 4.35Å; F754-T826 HydrophobicContact CZ-CG2 4.06Å; L757-T826 HydrophobicContact CD1-CG2 4.4Å; L769-T826 HydrophobicContact CD1-CG2 3.76Å; Y773-T826 HydrophobicContact CE2-CG2 4.35Å; L804-T826 HydrophobicContact CD1-CG2 4.1Å; R822-T826 WeakPolarHBondContact O-CB 3.36Å; R822-T826 PolarHBondContact O-N 3.07Å; R822-T826 PolarHBondContact O-OG1 3.5Å; T823-T826 PolarHBondContact O-N 3.42Å; C824-T826 VanDerWaalsContact C-N 3.35Å; T826-L829 PolarHBondContact O-N 3.36Å; T826-L830 WeakPolarHBondContact O-CB 3.42Å; T826-L830 PolarHBondContact O-N 3.16Å
827F92.2Very high87.5Confident3 Ų340.9 Ų40.91%0.01322%0.221CC..Hα-helixtrans-60.6-45.9175.2179.1-88.1000111.5L804 F808 T823 C824 E825 L830 W831 V840 F845 M849 V863 F867L804-F827 HydrophobicContact CD2-CB 3.99Å; L804-F827 HydrophobicContact CD2-CD2 3.61Å; L804-F827 HydrophobicContact CD2-CG 4.27Å; F808-F827 HydrophobicContact CE2-CB 4.28Å; F808-F827 AromaticContact CE2-CD2 3.88Å; F808-F827 HydrophobicContact CE2-CD2 3.88Å; F808-F827 HydrophobicContact CE2-CG 4.41Å; F808-F827 HydrophobicContact CZ-CB 4.12Å; F808-F827 HydrophobicContact CZ-CD2 4.23Å; F808-F827 HydrophobicContact CZ-CG 4.37Å; T823-F827 WeakPolarHBondContact O-CB 3.34Å; T823-F827 PolarHBondContact O-N 2.91Å; C824-F827 WeakPolarHBondContact O-CB 3.39Å; C824-F827 PolarHBondContact O-N 3.5Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 2.96Å; F827-L830 PolarHBondContact O-N 3.36Å; F827-W831 HydrophobicContact CD1-CE3 4.38Å; F827-W831 HydrophobicContact CE1-CD2 4.06Å; F827-W831 AromaticContact CE1-CE3 3.41Å; F827-W831 HydrophobicContact CE1-CE3 3.41Å; F827-W831 VanDerWaalsContact CE1-CE3 3.41Å; F827-W831 AromaticContact CE1-CZ3 3.75Å; F827-W831 HydrophobicContact CE1-CZ3 3.75Å; F827-W831 HydrophobicContact CE2-CE3 4.04Å; F827-W831 HydrophobicContact CE2-CZ3 4.11Å; F827-W831 HydrophobicContact CZ-CD2 4.29Å; F827-W831 AromaticContact CZ-CE3 3.23Å; F827-W831 HydrophobicContact CZ-CE3 3.23Å; F827-W831 HydrophobicContact CZ-CH2 4.23Å; F827-W831 AromaticContact CZ-CZ3 3.21Å; F827-W831 HydrophobicContact CZ-CZ3 3.21Å; F827-W831 VanDerWaalsContact O-CB 3.26Å; F827-W831 WeakPolarHBondContact O-CB 3.4Å; F827-W831 PolarHBondContact O-N 3.17Å; F827-V840 HydrophobicContact CE2-CG1 4Å; F827-V840 HydrophobicContact CZ-CG1 4.36Å; F827-F845 HydrophobicContact CE2-CB 4.48Å; F827-F845 HydrophobicContact CE2-CD1 4.25Å; F827-F845 HydrophobicContact CE2-CD2 4.25Å; F827-F845 HydrophobicContact CE2-CG 4.07Å; F827-M849 HydrophobicContact CB-CE 4.39Å; F827-M849 HydrophobicContact CD1-CE 3.67Å; F827-M849 HydrophobicContact CD2-CE 3.68Å; F827-M849 HydrophobicContact CE1-CE 3.68Å; F827-M849 HydrophobicContact CE2-CE 3.71Å; F827-M849 HydrophobicContact CG-CE 3.65Å; F827-M849 HydrophobicContact CZ-CE 3.66Å; F827-V863 HydrophobicContact CD1-CG1 3.7Å; F827-V863 HydrophobicContact CE1-CG1 4.3Å; F827-F867 HydrophobicContact CE1-CD2 4.22Å; F827-F867 AromaticContact CZ-CD2 3.68Å; F827-F867 HydrophobicContact CZ-CD2 3.68Å; F827-F867 HydrophobicContact CZ-CE2 4.22Å
828A90.4Very high87.2Confident30 Ų3038.8 Ų38.825%0.24821%0.213CC..Hα-helixtrans-61.8-44.8178.900000111.8C824 E825 L830 W831 D832 V863C824-A828 PolarHBondContact O-N 2.98Å; E825-A828 PolarHBondContact O-N 3.44Å; A828-L830 VanDerWaalsContact C-N 3.35Å; A828-L830 PolarHBondContact O-N 2.97Å; A828-W831 WeakPolarHBondContact O-CB 3.37Å; A828-W831 PolarHBondContact O-N 3.16Å; A828-D832 PolarHBondContact O-N 2.92Å; A828-D832 VanDerWaalsContact O-N 3.08Å; A828-V863 HydrophobicContact CB-CG1 4.31Å; A828-V863 HydrophobicContact CB-CG2 3.9Å
829L92.5Very high86.6Confident40 Ų4036.7 Ų36.721%0.20921%0.212CC..Hα-helixtrans-59.9-44.5175.3-67.4169.6000112V766 Q770 Y773 E825 T826 W831 Y833V766-L829 HydrophobicContact CG1-CD1 3.87Å; Q770-L829 HydrophobicContact CB-CD1 3.94Å; Q770-L829 HydrophobicContact CB-CD2 4.15Å; Q770-L829 HydrophobicContact CG-CD2 3.92Å; Y773-L829 HydrophobicContact CD2-CB 3.71Å; Y773-L829 HydrophobicContact CE2-CB 4.41Å; E825-L829 WeakPolarHBondContact O-CG 3.47Å; E825-L829 PolarHBondContact O-N 3.15Å; T826-L829 PolarHBondContact O-N 3.36Å; L829-W831 VanDerWaalsContact C-N 3.32Å; L829-W831 PolarHBondContact O-N 3.19Å; L829-Y833 WeakPolarHBondContact O-CB 3.45Å; L829-Y833 PolarHBondContact O-N 3.47Å
830L92.4Very high85.8Confident0 Ų036.4 Ų36.40%021%0.211CC..Hα-helixtrans-63.9-38.7176.9175.860.9000111.9Y773 A797 V801 L804 T826 F827 A828 Y833 A834 V840Y773-L830 HydrophobicContact CD1-CD1 4.49Å; Y773-L830 HydrophobicContact CE1-CD1 3.96Å; Y773-L830 HydrophobicContact CE2-CB 4.23Å; A797-L830 HydrophobicContact CB-CD1 3.95Å; V801-L830 HydrophobicContact CG2-CD2 3.9Å; L804-L830 HydrophobicContact CD2-CD2 4Å; T826-L830 WeakPolarHBondContact O-CB 3.42Å; T826-L830 PolarHBondContact O-N 3.16Å; F827-L830 PolarHBondContact O-N 3.36Å; A828-L830 VanDerWaalsContact C-N 3.35Å; A828-L830 PolarHBondContact O-N 2.97Å; L830-Y833 PolarHBondContact O-N 3.42Å; L830-A834 WeakPolarHBondContact O-CB 3.37Å; L830-A834 PolarHBondContact O-N 3.07Å; L830-V840 HydrophobicContact CD2-CG1 4.42Å; L830-V840 HydrophobicContact CG-CG1 4.49Å
831W88.8Confident84.6Confident20 Ų2036.4 Ų36.48%0.07621%0.213CC..Hα-helixtrans-67.1-37.2-178.4-169.4-89.9000113.1F827 A828 L829 V840 S841 F867 R870F827-W831 HydrophobicContact CD1-CE3 4.38Å; F827-W831 HydrophobicContact CE1-CD2 4.06Å; F827-W831 AromaticContact CE1-CE3 3.41Å; F827-W831 HydrophobicContact CE1-CE3 3.41Å; F827-W831 VanDerWaalsContact CE1-CE3 3.41Å; F827-W831 AromaticContact CE1-CZ3 3.75Å; F827-W831 HydrophobicContact CE1-CZ3 3.75Å; F827-W831 HydrophobicContact CE2-CE3 4.04Å; F827-W831 HydrophobicContact CE2-CZ3 4.11Å; F827-W831 HydrophobicContact CZ-CD2 4.29Å; F827-W831 AromaticContact CZ-CE3 3.23Å; F827-W831 HydrophobicContact CZ-CE3 3.23Å; F827-W831 HydrophobicContact CZ-CH2 4.23Å; F827-W831 AromaticContact CZ-CZ3 3.21Å; F827-W831 HydrophobicContact CZ-CZ3 3.21Å; F827-W831 VanDerWaalsContact O-CB 3.26Å; F827-W831 WeakPolarHBondContact O-CB 3.4Å; F827-W831 PolarHBondContact O-N 3.17Å; A828-W831 WeakPolarHBondContact O-CB 3.37Å; A828-W831 PolarHBondContact O-N 3.16Å; L829-W831 VanDerWaalsContact C-N 3.32Å; L829-W831 PolarHBondContact O-N 3.19Å; W831-V840 HydrophobicContact CD2-CG1 4.45Å; W831-V840 HydrophobicContact CE3-CB 3.66Å; W831-V840 HydrophobicContact CE3-CG1 3.41Å; W831-V840 VanDerWaalsContact CE3-CG1 3.41Å; W831-V840 HydrophobicContact CZ3-CB 3.9Å; W831-V840 HydrophobicContact CZ3-CG1 3.9Å; W831-V840 WeakPolarHBondContact CZ3-O 3.44Å; W831-S841 VanDerWaalsContact CH2-CA 3.45Å; W831-F867 AromaticContact CH2-CD2 3.7Å; W831-F867 HydrophobicContact CH2-CD2 3.7Å; W831-F867 HydrophobicContact CH2-CE2 4.21Å; W831-F867 AromaticContact CZ3-CD2 3.87Å; W831-F867 HydrophobicContact CZ3-CD2 3.87Å; W831-F867 HydrophobicContact CZ3-CE2 4.27Å; W831-R870 VanDerWaalsContact CD1-NH1 3.27Å; W831-R870 HydrophobicContact CZ2-CB 3.9Å; W831-R870 HydrophobicContact CZ2-CG 3.86Å
832D87.4Confident83.8Confident142 Ų14237.7 Ų37.776%0.75922%0.222SC*.Hα-helixtrans-73.5-31175.2-74.9-13.4000111.8A828A828-D832 PolarHBondContact O-N 2.92Å; A828-D832 VanDerWaalsContact O-N 3.08Å
833Y90.8Very high82.7Confident20 Ų2042.2 Ų42.28%0.07824%0.241CC..Hα-helixtrans-80.1-34.5177.7176.1-101.9000113.8Y773 V793 I796 A797 L829 L830Y773-Y833 VanDerWaalsContact C-CD2 3.46Å; Y773-Y833 AromaticContact CD1-CD1 3.78Å; Y773-Y833 HydrophobicContact CD1-CD1 3.78Å; Y773-Y833 HydrophobicContact CD1-CE1 4.21Å; Y773-Y833 HydrophobicContact CD1-CG 4.08Å; Y773-Y833 HydrophobicContact CG-CG 4.39Å; Y773-Y833 WeakPolarHBondContact O-CD2 3.2Å; V793-Y833 HydrophobicContact CG1-CD1 4.25Å; V793-Y833 HydrophobicContact CG1-CE1 3.72Å; V793-Y833 HydrophobicContact CG1-CE2 4.1Å; I796-Y833 HydrophobicContact CB-CE1 4.17Å; I796-Y833 HydrophobicContact CG2-CE1 3.94Å; A797-Y833 HydrophobicContact CB-CD1 4.38Å; A797-Y833 HydrophobicContact CB-CE1 4.44Å; L829-Y833 WeakPolarHBondContact O-CB 3.45Å; L829-Y833 PolarHBondContact O-N 3.47Å; L830-Y833 PolarHBondContact O-N 3.42Å
834A86.2Confident81.9Confident14 Ų1445.6 Ų45.612%0.11626%0.257CS..SBendtrans-73.9131.2-171.500000112.2A797 L830 V838 V840A797-A834 HydrophobicContact CB-CB 3.88Å; L830-A834 WeakPolarHBondContact O-CB 3.37Å; L830-A834 PolarHBondContact O-N 3.07Å; A834-V838 HydrophobicContact CB-CB 4.47Å; A834-V840 HydrophobicContact CB-CG2 3.52Å
835P80.7Confident81.5Confident37 Ų3745.6 Ų45.624%0.2426%0.257CS..  trans-68.8157.4172.628.4-32.9000110.4V793 E794 S837 V838V793-P835 HydrophobicContact CG1-CG 4.38Å; E794-P835 HydrophobicContact CG-CG 3.73Å; P835-S837 WeakPolarHBondContact CG-OG 3.46Å; P835-S837 PolarHBondContact O-N 3.22Å; P835-V838 HydrophobicContact CG-CG2 4.11Å; P835-V838 PolarHBondContact O-N 3.31Å
836N76Confident81Confident145 Ų14542.5 Ų42.578%0.77524%0.243SC*.THydrogen-bonded Turntrans-58.6-14.8179.5-66.1-30.6000114.1V838 R870N836-V838 VanDerWaalsContact C-N 3.29Å; N836-R870 PolarHBondContact OD1-NH2 3.45Å
837S75Confident80.5Confident89 Ų8945.4 Ų45.462%0.62227%0.267SS*.THydrogen-bonded Turntrans-74.1-14.817549.80000113.8P835P835-S837 WeakPolarHBondContact CG-OG 3.46Å; P835-S837 PolarHBondContact O-N 3.22Å
838V74Confident80.1Confident25 Ų2546.3 Ų46.315%0.15227%0.273CS..SBendtrans-101.7121177.6-178.90000109.2E794 A797 V801 A834 P835 N836 V840E794-V838 HydrophobicContact CB-CG2 4.16Å; E794-V838 HydrophobicContact CG-CG2 4.32Å; A797-V838 HydrophobicContact CB-CG1 4.19Å; A797-V838 HydrophobicContact CB-CG2 4.24Å; V801-V838 HydrophobicContact CG2-CG1 4.41Å; A834-V838 HydrophobicContact CB-CB 4.47Å; P835-V838 HydrophobicContact CG-CG2 4.11Å; P835-V838 PolarHBondContact O-N 3.31Å; N836-V838 VanDerWaalsContact C-N 3.29Å; V838-V840 VanDerWaalsContact C-N 3.25Å; V838-V840 HydrophobicContact CB-CG2 4.41Å; V838-V840 HydrophobicContact CG1-CG2 3.94Å; V838-V840 PolarHBondContact O-N 3.33Å
839A72.6Confident80Confident56 Ų5644.9 Ų44.946%0.46326%0.261SS..  trans-74.671.2-178.100000112.3S841 D842A839-S841 VanDerWaalsContact C-N 3.31Å; A839-D842 HydrophobicContact CB-CB 4.22Å
840V70.6Confident79.7Confident7 Ų743.5 Ų43.54%0.04225%0.254CS..THydrogen-bonded Turntrans-75.7-25.4173.9-161.60000110.9V801 F827 L830 W831 A834 V838 D842 F845V801-V840 HydrophobicContact CG2-CG1 4.31Å; V801-V840 HydrophobicContact CG2-CG2 4.17Å; F827-V840 HydrophobicContact CE2-CG1 4Å; F827-V840 HydrophobicContact CZ-CG1 4.36Å; L830-V840 HydrophobicContact CD2-CG1 4.42Å; L830-V840 HydrophobicContact CG-CG1 4.49Å; W831-V840 HydrophobicContact CD2-CG1 4.45Å; W831-V840 HydrophobicContact CE3-CB 3.66Å; W831-V840 HydrophobicContact CE3-CG1 3.41Å; W831-V840 VanDerWaalsContact CE3-CG1 3.41Å; W831-V840 HydrophobicContact CZ3-CB 3.9Å; W831-V840 HydrophobicContact CZ3-CG1 3.9Å; W831-V840 WeakPolarHBondContact CZ3-O 3.44Å; A834-V840 HydrophobicContact CB-CG2 3.52Å; V838-V840 VanDerWaalsContact C-N 3.25Å; V838-V840 HydrophobicContact CB-CG2 4.41Å; V838-V840 HydrophobicContact CG1-CG2 3.94Å; V838-V840 PolarHBondContact O-N 3.33Å; V840-D842 VanDerWaalsContact C-N 3.26Å; V840-D842 PolarHBondContact O-N 3.24Å; V840-F845 WeakPolarHBondContact O-CD2 3Å; V840-F845 WeakPolarHBondContact O-CE2 3.36Å
841S63.5Low79.4Confident22 Ų2245.7 Ų45.715%0.15427%0.272CS..THydrogen-bonded Turntrans-82.68.6179.455.40000115.1W831 A839 L871W831-S841 VanDerWaalsContact CH2-CA 3.45Å; A839-S841 VanDerWaalsContact C-N 3.31Å; S841-L871 WeakPolarHBondContact O-CD1 3.5Å
842D69.7Low79.4Confident68 Ų6844.7 Ų44.736%0.36427%0.268SS..  trans-67.3158.7-170.3-152.8-7.4000112.9A839 V840 Q844 F845A839-D842 HydrophobicContact CB-CB 4.22Å; V840-D842 VanDerWaalsContact C-N 3.26Å; V840-D842 PolarHBondContact O-N 3.24Å; D842-Q844 HydrophobicContact CB-CG 4.21Å; D842-Q844 PolarHBondContact O-N 3.49Å; D842-F845 PolarHBondContact O-N 3.33Å; D842-F845 VanDerWaalsContact O-N 3.11Å
843F68.7Low79.4Confident101 Ų10138 Ų3844%0.44323%0.232SC..G310 helixtrans-56.2-26.4-171.7-174.8-94.8000113.8F845 V846 E882F843-F845 PolarHBondContact O-N 3.15Å; F843-V846 HydrophobicContact CD2-CG2 3.96Å; F843-V846 HydrophobicContact CE2-CG2 4.38Å; F843-V846 HydrophobicContact CG-CG2 4.38Å; F843-V846 WeakPolarHBondContact O-CB 3.25Å; F843-V846 WeakPolarHBondContact O-CG2 3.46Å; F843-V846 PolarHBondContact O-N 3.12Å; F843-E882 HydrophobicContact CE2-CG 3.78Å; F843-E882 WeakPolarHBondContact CE2-OE1 2.93Å; F843-E882 HydrophobicContact CZ-CG 4.08Å; F843-E882 WeakPolarHBondContact CZ-OE1 2.89Å
844Q73.9Confident79.2Confident72 Ų7242.8 Ų42.834%0.33625%0.254SS..G310 helixtrans-56.8-18.4178.265.7-176.1-25.500114.6D842D842-Q844 HydrophobicContact CB-CG 4.21Å; D842-Q844 PolarHBondContact O-N 3.49Å
845F81.2Confident79.2Confident0 Ų042.8 Ų42.80%025%0.253CS..G310 helixtrans-100-4.3177.3-61.8-69.5000114.3V801 L804 F808 F827 V840 D842 F843 P848 M849 F867V801-F845 HydrophobicContact CG1-CE2 4.17Å; V801-F845 HydrophobicContact CG1-CZ 4Å; L804-F845 HydrophobicContact CD2-CE1 4.39Å; L804-F845 HydrophobicContact CG-CE1 4.48Å; F808-F845 AromaticContact CD2-CD1 3.69Å; F808-F845 HydrophobicContact CD2-CD1 3.69Å; F808-F845 AromaticContact CD2-CE1 3.73Å; F808-F845 HydrophobicContact CD2-CE1 3.73Å; F808-F845 AromaticContact CE2-CD1 3.92Å; F808-F845 HydrophobicContact CE2-CD1 3.92Å; F808-F845 HydrophobicContact CE2-CE1 4.07Å; F827-F845 HydrophobicContact CE2-CB 4.48Å; F827-F845 HydrophobicContact CE2-CD1 4.25Å; F827-F845 HydrophobicContact CE2-CD2 4.25Å; F827-F845 HydrophobicContact CE2-CG 4.07Å; V840-F845 WeakPolarHBondContact O-CD2 3Å; V840-F845 WeakPolarHBondContact O-CE2 3.36Å; D842-F845 PolarHBondContact O-N 3.33Å; D842-F845 VanDerWaalsContact O-N 3.11Å; F843-F845 PolarHBondContact O-N 3.15Å; F845-P848 WeakPolarHBondContact O-CD 3.41Å; F845-M849 HydrophobicContact CB-CG 4.43Å; F845-M849 VanDerWaalsContact O-CB 3.31Å; F845-M849 WeakPolarHBondContact O-CB 3.33Å; F845-M849 WeakPolarHBondContact O-CG 3.37Å; F845-M849 PolarHBondContact O-N 3.49Å; F845-F867 HydrophobicContact CB-CE2 3.86Å; F845-F867 HydrophobicContact CB-CZ 3.93Å
846V81.6Confident79.4Confident1 Ų144.6 Ų44.61%0.00627%0.271CS..Hα-helixtrans-60.6-52.9-177.7172.30000111.8F843 M849 L850 F867 F868 L871F843-V846 HydrophobicContact CD2-CG2 3.96Å; F843-V846 HydrophobicContact CE2-CG2 4.38Å; F843-V846 HydrophobicContact CG-CG2 4.38Å; F843-V846 WeakPolarHBondContact O-CB 3.25Å; F843-V846 WeakPolarHBondContact O-CG2 3.46Å; F843-V846 PolarHBondContact O-N 3.12Å; V846-M849 PolarHBondContact O-N 2.97Å; V846-L850 WeakPolarHBondContact O-CB 3.4Å; V846-L850 PolarHBondContact O-N 2.99Å; V846-F867 HydrophobicContact CG2-CE1 4.15Å; V846-F867 HydrophobicContact CG2-CZ 4.16Å; V846-F868 HydrophobicContact CG1-CE1 4.35Å; V846-L871 HydrophobicContact CG2-CD2 4.07Å
847A81.4Confident79.8Confident62 Ų6240.2 Ų40.251%0.51225%0.245SC..Hα-helixtrans-62.4-44.3-179.200000113.1L850 A851A847-L850 VanDerWaalsContact O-CB 3.31Å; A847-L850 WeakPolarHBondContact O-CB 3.33Å; A847-L850 PolarHBondContact O-N 3.33Å; A847-A851 PolarHBondContact O-N 3.42Å
848P84.5Confident80.4Confident21 Ų2140.2 Ų40.214%0.13624%0.235CC..Hα-helixtrans-60.6-41.9172-22.929.2000114.2F808 F845 L850 A851 A852F808-P848 HydrophobicContact CB-CB 3.71Å; F808-P848 HydrophobicContact CB-CG 3.64Å; F808-P848 HydrophobicContact CD1-CB 3.34Å; F808-P848 HydrophobicContact CD1-CG 4.24Å; F808-P848 HydrophobicContact CE1-CB 4.06Å; F808-P848 HydrophobicContact CG-CB 3.65Å; F808-P848 HydrophobicContact CG-CG 4.06Å; F845-P848 WeakPolarHBondContact O-CD 3.41Å; P848-L850 VanDerWaalsContact C-N 3.3Å; P848-L850 PolarHBondContact O-N 3.05Å; P848-A851 WeakPolarHBondContact O-CB 3.48Å; P848-A851 PolarHBondContact O-N 2.99Å; P848-A852 PolarHBondContact O-N 3.22Å
849M88.3Confident80.9Confident0 Ų041.3 Ų41.30%024%0.244CC..Hα-helixtrans-69.2-31.2179.1-68.6-66.1160.600112.1F808 F827 F845 V846 A851 A852 L853 A864 F867 F868F808-M849 HydrophobicContact CE1-CE 4Å; F808-M849 HydrophobicContact CE2-CE 4.07Å; F808-M849 HydrophobicContact CZ-CE 3.42Å; F808-M849 VanDerWaalsContact CZ-CE 3.42Å; F827-M849 HydrophobicContact CB-CE 4.39Å; F827-M849 HydrophobicContact CD1-CE 3.67Å; F827-M849 HydrophobicContact CD2-CE 3.68Å; F827-M849 HydrophobicContact CE1-CE 3.68Å; F827-M849 HydrophobicContact CE2-CE 3.71Å; F827-M849 HydrophobicContact CG-CE 3.65Å; F827-M849 HydrophobicContact CZ-CE 3.66Å; F845-M849 HydrophobicContact CB-CG 4.43Å; F845-M849 VanDerWaalsContact O-CB 3.31Å; F845-M849 WeakPolarHBondContact O-CB 3.33Å; F845-M849 WeakPolarHBondContact O-CG 3.37Å; F845-M849 PolarHBondContact O-N 3.49Å; V846-M849 PolarHBondContact O-N 2.97Å; M849-A851 VanDerWaalsContact C-N 3.32Å; M849-A851 PolarHBondContact O-N 3.28Å; M849-A852 WeakPolarHBondContact O-CB 3.38Å; M849-A852 PolarHBondContact O-N 3.12Å; M849-L853 PolarHBondContact O-N 3.41Å; M849-A864 HydrophobicContact SD-CB 4.34Å; M849-F867 HydrophobicContact CB-CD1 3.57Å; M849-F867 HydrophobicContact CB-CE1 3.9Å; M849-F867 HydrophobicContact CB-CG 4.17Å; M849-F867 HydrophobicContact CG-CB 4.15Å; M849-F867 HydrophobicContact CG-CD1 3.54Å; M849-F867 HydrophobicContact CG-CD2 4.11Å; M849-F867 HydrophobicContact CG-CE1 3.9Å; M849-F867 HydrophobicContact CG-CE2 4.4Å; M849-F867 HydrophobicContact CG-CG 3.65Å; M849-F867 HydrophobicContact CG-CZ 4.31Å; M849-F867 HydrophobicContact SD-CB 4.18Å; M849-F867 HydrophobicContact SD-CG 4.29Å; M849-F868 HydrophobicContact CB-CE2 3.93Å; M849-F868 HydrophobicContact CB-CZ 4.24Å
850L86.9Confident81.7Confident11 Ų1138.7 Ų38.76%0.05822%0.222CC..Hα-helixtrans-60.8-41.5170.5-161.882.9000111.9V846 A847 P848 F868 E889 I890V846-L850 WeakPolarHBondContact O-CB 3.4Å; V846-L850 PolarHBondContact O-N 2.99Å; A847-L850 VanDerWaalsContact O-CB 3.31Å; A847-L850 WeakPolarHBondContact O-CB 3.33Å; A847-L850 PolarHBondContact O-N 3.33Å; P848-L850 VanDerWaalsContact C-N 3.3Å; P848-L850 PolarHBondContact O-N 3.05Å; L850-F868 HydrophobicContact CD1-CZ 4.28Å; L850-E889 HydrophobicContact CD1-CB 4.3Å; L850-E889 HydrophobicContact CD1-CG 4.19Å; L850-E889 HydrophobicContact CD2-CB 4.1Å; L850-E889 HydrophobicContact CD2-CG 3.59Å; L850-E889 WeakPolarHBondContact CD2-OE2 3.27Å; L850-E889 HydrophobicContact CG-CG 4Å; L850-I890 HydrophobicContact CD1-CB 4.11Å; L850-I890 HydrophobicContact CD1-CG1 3.32Å
851A85.6Confident82.6Confident46 Ų4640.7 Ų40.738%0.3823%0.229SC..Hα-helixtrans-67-39.7173.500000111.4M820 A847 P848 M849 L853 K854M820-A851 HydrophobicContact CE-CB 4.28Å; A847-A851 PolarHBondContact O-N 3.42Å; P848-A851 WeakPolarHBondContact O-CB 3.48Å; P848-A851 PolarHBondContact O-N 2.99Å; M849-A851 VanDerWaalsContact C-N 3.32Å; M849-A851 PolarHBondContact O-N 3.28Å; A851-L853 VanDerWaalsContact C-N 3.32Å; A851-L853 PolarHBondContact O-N 3.01Å; A851-K854 PolarHBondContact O-N 2.94Å
852A88.5Confident83.9Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-63.1-32.8177.700000113.4M820 P848 M849 K854 S855 V860 A864M820-A852 HydrophobicContact SD-CB 4.13Å; P848-A852 PolarHBondContact O-N 3.22Å; M849-A852 WeakPolarHBondContact O-CB 3.38Å; M849-A852 PolarHBondContact O-N 3.12Å; A852-K854 PolarHBondContact O-N 3.33Å; A852-S855 VanDerWaalsContact O-CB 3.24Å; A852-S855 WeakPolarHBondContact O-CB 3.14Å; A852-S855 PolarHBondContact O-N 2.97Å; A852-S855 VanDerWaalsContact O-N 3.14Å; A852-V860 HydrophobicContact CB-CG1 3.72Å; A852-A864 HydrophobicContact CB-CB 3.8Å
853L88.4Confident84.8Confident0 Ų040 Ų400%022%0.224CC..THydrogen-bonded Turntrans-57.6-27.8172.1-72.7173.9000112.9M849 A851 R861 A864 V865 F868 L894M849-L853 PolarHBondContact O-N 3.41Å; A851-L853 VanDerWaalsContact C-N 3.32Å; A851-L853 PolarHBondContact O-N 3.01Å; L853-R861 WeakPolarHBondContact O-CD 3.45Å; L853-A864 HydrophobicContact CD2-CB 3.75Å; L853-A864 HydrophobicContact CG-CB 3.92Å; L853-V865 HydrophobicContact CD2-CG2 3.91Å; L853-F868 HydrophobicContact CD1-CD2 3.77Å; L853-F868 HydrophobicContact CD1-CE2 3.41Å; L853-F868 VanDerWaalsContact CD1-CE2 3.41Å; L853-F868 HydrophobicContact CD1-CZ 4.26Å; L853-F868 HydrophobicContact CD2-CD2 4.33Å; L853-F868 HydrophobicContact CG-CD2 4.21Å; L853-F868 HydrophobicContact CG-CE2 3.92Å; L853-L894 HydrophobicContact CD1-CD2 4.4Å; L853-L894 HydrophobicContact CD1-CG 4.28Å; L853-L894 HydrophobicContact CD2-CD2 4.1Å
854K86Confident85.9Confident122 Ų12235.2 Ų35.253%0.5320%0.203SC..THydrogen-bonded Turntrans-93.23-178.2-58179.1-171172.10113.8A851 A852 E889A851-K854 PolarHBondContact O-N 2.94Å; A852-K854 PolarHBondContact O-N 3.33Å; K854-E889 IonicContact NZ-OE1 2.79Å; K854-E889 PolarHBondContact NZ-OE1 3.04Å
855S86.6Confident86.7Confident13 Ų1331.9 Ų31.99%0.09119%0.188CC..  trans-63147.1179.1179.40000112.2A852 K857 V860 R861A852-S855 VanDerWaalsContact O-CB 3.24Å; A852-S855 WeakPolarHBondContact O-CB 3.14Å; A852-S855 PolarHBondContact O-N 2.97Å; A852-S855 VanDerWaalsContact O-N 3.14Å; S855-K857 VanDerWaalsContact C-N 3.27Å; S855-K857 PolarHBondContact OG-N 3.24Å; S855-V860 VanDerWaalsContact CB-CG1 3.46Å; S855-R861 WeakPolarHBondContact O-CD 3.47Å; S855-R861 PolarHBondContact O-NH1 3.42Å
856A84Confident87.1Confident75 Ų7534.1 Ų34.162%0.6220%0.198SC*.SBendtrans-73.1-23.1172.400000111.7E817 R861E817-A856 WeakPolarHBondContact OE1-CA 3.31Å; E817-A856 WeakPolarHBondContact OE1-CB 3.44Å; E817-A856 PolarHBondContact OE1-N 3.08Å; A856-R861 PolarHBondContact O-NH1 3.29Å
857K85.5Confident87.5Confident53 Ų5334.1 Ų34.123%0.2320%0.198CC..  trans-82.6127.7-179.7-63.7-176.3176.1176.90112.6E817 E821 S855 S859 V860 R861E817-K857 HydrophobicContact CG-CD 4.24Å; E817-K857 HydrophobicContact CG-CG 4.31Å; E821-K857 HydrophobicContact CB-CD 3.98Å; E821-K857 HydrophobicContact CG-CD 4.21Å; E821-K857 WeakPolarHBondContact OE2-CD 3.47Å; E821-K857 WeakPolarHBondContact OE2-CE 3.5Å; E821-K857 IonicContact OE2-NZ 2.85Å; E821-K857 PolarHBondContact OE2-NZ 3.49Å; S855-K857 VanDerWaalsContact C-N 3.27Å; S855-K857 PolarHBondContact OG-N 3.24Å; K857-S859 PolarHBondContact O-N 2.9Å; K857-V860 HydrophobicContact CB-CB 4.39Å; K857-V860 HydrophobicContact CB-CG2 4.07Å; K857-V860 PolarHBondContact O-N 3.17Å; K857-R861 PolarHBondContact O-N 3.19Å
858E86Confident87.8Confident90 Ų9031.2 Ų31.242%0.42117%0.174SC..Hα-helixtrans-65.6-37.7179.7-172179.2170.800112.6V860 R861 N862E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 2.81Å; E858-R861 PolarHBondContact O-N 3.26Å; E858-N862 WeakPolarHBondContact O-CB 3.45Å; E858-N862 PolarHBondContact O-N 3.12Å; E858-N862 PolarHBondContact O-ND2 3.13Å; E858-N862 PolarHBondContact O-OD1 3.43Å
859S86Confident88Confident47 Ų4731.3 Ų31.333%0.32917%0.173SC..Hα-helixtrans-51.8-47.8175.248.20000111.7E821 K857 N862 V863E821-S859 PolarHBondContact OE1-OG 2.99Å; E821-S859 VanDerWaalsContact OE1-OG 3.04Å; K857-S859 PolarHBondContact O-N 2.9Å; S859-N862 PolarHBondContact O-N 3.26Å; S859-V863 PolarHBondContact O-N 2.96Å
860V88.2Confident87.8Confident1 Ų135.3 Ų35.31%0.00619%0.188CC..Hα-helixtrans-65.5-48.7179175.80000112.2M820 E821 C824 A852 S855 K857 E858 N862 V863 A864M820-V860 HydrophobicContact CG-CG1 3.81Å; M820-V860 HydrophobicContact CG-CG2 4.43Å; M820-V860 HydrophobicContact SD-CG1 4.45Å; E821-V860 HydrophobicContact CB-CG2 3.97Å; E821-V860 HydrophobicContact CG-CG2 4.32Å; C824-V860 HydrophobicContact CB-CG1 4.39Å; C824-V860 HydrophobicContact CB-CG2 4.41Å; A852-V860 HydrophobicContact CB-CG1 3.72Å; S855-V860 VanDerWaalsContact CB-CG1 3.46Å; K857-V860 HydrophobicContact CB-CB 4.39Å; K857-V860 HydrophobicContact CB-CG2 4.07Å; K857-V860 PolarHBondContact O-N 3.17Å; E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 2.81Å; V860-N862 PolarHBondContact O-N 3.47Å; V860-V863 PolarHBondContact O-N 3.16Å; V860-A864 PolarHBondContact O-N 3.42Å
861R90.1Very high87.7Confident50 Ų5035.2 Ų35.219%0.18919%0.188CC..Hα-helixtrans-60-37.3179.8-68.7-166.7-58-93.1-2.8111.7L853 S855 A856 K857 E858 V863 A864 V865L853-R861 WeakPolarHBondContact O-CD 3.45Å; S855-R861 WeakPolarHBondContact O-CD 3.47Å; S855-R861 PolarHBondContact O-NH1 3.42Å; A856-R861 PolarHBondContact O-NH1 3.29Å; K857-R861 PolarHBondContact O-N 3.19Å; E858-R861 PolarHBondContact O-N 3.26Å; R861-V863 PolarHBondContact O-N 3.42Å; R861-A864 PolarHBondContact O-N 3.4Å; R861-V865 WeakPolarHBondContact O-CG2 3.34Å; R861-V865 PolarHBondContact O-N 2.99Å
862N89.9Confident87.5Confident52 Ų5233.1 Ų33.128%0.27817%0.17SC..Hα-helixtrans-64.3-40.5-179.5-68.8-12.5000112.5E858 S859 V860 V865 E866 V906E858-N862 WeakPolarHBondContact O-CB 3.45Å; E858-N862 PolarHBondContact O-N 3.12Å; E858-N862 PolarHBondContact O-ND2 3.13Å; E858-N862 PolarHBondContact O-OD1 3.43Å; S859-N862 PolarHBondContact O-N 3.26Å; V860-N862 PolarHBondContact O-N 3.47Å; N862-V865 PolarHBondContact O-N 2.88Å; N862-E866 PolarHBondContact O-N 2.76Å; N862-E866 VanDerWaalsContact O-N 3.08Å; N862-V906 WeakPolarHBondContact OD1-CG2 3.44Å
863V89.4Confident87.1Confident24 Ų2436.8 Ų36.815%0.14519%0.193CC..Hα-helixtrans-63.3-44.7174.8177.40000110.6C824 F827 A828 S859 V860 R861 E866 F867C824-V863 HydrophobicContact CB-CB 4.35Å; C824-V863 HydrophobicContact CB-CG1 4.36Å; C824-V863 HydrophobicContact CB-CG2 4.48Å; F827-V863 HydrophobicContact CD1-CG1 3.7Å; F827-V863 HydrophobicContact CE1-CG1 4.3Å; A828-V863 HydrophobicContact CB-CG1 4.31Å; A828-V863 HydrophobicContact CB-CG2 3.9Å; S859-V863 PolarHBondContact O-N 2.96Å; V860-V863 PolarHBondContact O-N 3.16Å; R861-V863 PolarHBondContact O-N 3.42Å; V863-E866 PolarHBondContact O-N 2.76Å; V863-F867 PolarHBondContact O-N 3.37Å
864A90.8Very high86.3Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-63.6-42.6178.500000112.6M849 A852 L853 V860 R861 E866 F867 F868M849-A864 HydrophobicContact SD-CB 4.34Å; A852-A864 HydrophobicContact CB-CB 3.8Å; L853-A864 HydrophobicContact CD2-CB 3.75Å; L853-A864 HydrophobicContact CG-CB 3.92Å; V860-A864 PolarHBondContact O-N 3.42Å; R861-A864 PolarHBondContact O-N 3.4Å; A864-E866 VanDerWaalsContact C-N 3.3Å; A864-E866 PolarHBondContact O-N 3.17Å; A864-F867 WeakPolarHBondContact O-CB 3.39Å; A864-F867 PolarHBondContact O-N 3.07Å; A864-F868 WeakPolarHBondContact O-CD2 3.34Å; A864-F868 PolarHBondContact O-N 3.1Å; A864-F868 VanDerWaalsContact O-N 3.12Å
865V92Very high85.2Confident1 Ų138.2 Ų38.21%0.00621%0.207CC..Hα-helixtrans-60.1-41.8174.8168.40000111L853 R861 N862 F868 N869 L894 C897 V906 R909 V910L853-V865 HydrophobicContact CD2-CG2 3.91Å; R861-V865 WeakPolarHBondContact O-CG2 3.34Å; R861-V865 PolarHBondContact O-N 2.99Å; N862-V865 PolarHBondContact O-N 2.88Å; V865-F868 PolarHBondContact O-N 3.39Å; V865-N869 WeakPolarHBondContact O-CB 3.48Å; V865-N869 PolarHBondContact O-N 3Å; V865-L894 HydrophobicContact CG2-CD2 4.41Å; V865-C897 HydrophobicContact CG2-CB 4.09Å; V865-V906 HydrophobicContact CG1-CG1 4.33Å; V865-V906 HydrophobicContact CG2-CG1 4.26Å; V865-R909 HydrophobicContact CG1-CB 3.77Å; V865-V910 HydrophobicContact CB-CG2 4.47Å; V865-V910 HydrophobicContact CG1-CG2 3.79Å; V865-V910 HydrophobicContact CG2-CG2 3.75Å
866E89.2Confident83.9Confident48 Ų4841.5 Ų41.522%0.22422%0.224CC..Hα-helixtrans-66.4-41.3178.7-166.761.3-17000112.6N862 V863 A864 F868 N869 R870 R909N862-E866 PolarHBondContact O-N 2.76Å; N862-E866 VanDerWaalsContact O-N 3.08Å; V863-E866 PolarHBondContact O-N 2.76Å; A864-E866 VanDerWaalsContact C-N 3.3Å; A864-E866 PolarHBondContact O-N 3.17Å; E866-F868 PolarHBondContact O-N 3.04Å; E866-N869 PolarHBondContact O-N 3.2Å; E866-R870 PolarHBondContact O-N 2.8Å; E866-R909 IonicContact OE1-CZ 3.18Å; E866-R909 IonicContact OE1-NE 2.7Å; E866-R909 IonicContact OE1-NH1 2.78Å; E866-R909 IonicContact OE1-NH2 2.69Å; E866-R909 PolarHBondContact OE1-NH2 3.24Å; E866-R909 WeakPolarHBondContact OE2-CD 3.34Å; E866-R909 IonicContact OE2-CZ 3.64Å; E866-R909 IonicContact OE2-NE 3.14Å; E866-R909 PolarHBondContact OE2-NE 3.48Å; E866-R909 IonicContact OE2-NH1 3.87Å; E866-R909 PolarHBondContact OE2-NH1 3.42Å; E866-R909 IonicContact OE2-NH2 2.76Å; E866-R909 PolarHBondContact OE2-NH2 3.08Å
867F90Very high82.6Confident1 Ų141.9 Ų41.90%0.00422%0.222CC..Hα-helixtrans-54-54.2174.1171.6-96.6000111.2F827 W831 F845 V846 M849 V863 A864 N869 R870 L871F827-F867 HydrophobicContact CE1-CD2 4.22Å; F827-F867 AromaticContact CZ-CD2 3.68Å; F827-F867 HydrophobicContact CZ-CD2 3.68Å; F827-F867 HydrophobicContact CZ-CE2 4.22Å; W831-F867 AromaticContact CH2-CD2 3.7Å; W831-F867 HydrophobicContact CH2-CD2 3.7Å; W831-F867 HydrophobicContact CH2-CE2 4.21Å; W831-F867 AromaticContact CZ3-CD2 3.87Å; W831-F867 HydrophobicContact CZ3-CD2 3.87Å; W831-F867 HydrophobicContact CZ3-CE2 4.27Å; F845-F867 HydrophobicContact CB-CE2 3.86Å; F845-F867 HydrophobicContact CB-CZ 3.93Å; V846-F867 HydrophobicContact CG2-CE1 4.15Å; V846-F867 HydrophobicContact CG2-CZ 4.16Å; M849-F867 HydrophobicContact CB-CD1 3.57Å; M849-F867 HydrophobicContact CB-CE1 3.9Å; M849-F867 HydrophobicContact CB-CG 4.17Å; M849-F867 HydrophobicContact CG-CB 4.15Å; M849-F867 HydrophobicContact CG-CD1 3.54Å; M849-F867 HydrophobicContact CG-CD2 4.11Å; M849-F867 HydrophobicContact CG-CE1 3.9Å; M849-F867 HydrophobicContact CG-CE2 4.4Å; M849-F867 HydrophobicContact CG-CG 3.65Å; M849-F867 HydrophobicContact CG-CZ 4.31Å; M849-F867 HydrophobicContact SD-CB 4.18Å; M849-F867 HydrophobicContact SD-CG 4.29Å; V863-F867 PolarHBondContact O-N 3.37Å; A864-F867 WeakPolarHBondContact O-CB 3.39Å; A864-F867 PolarHBondContact O-N 3.07Å; F867-N869 VanDerWaalsContact C-N 3.34Å; F867-N869 PolarHBondContact O-N 3.17Å; F867-R870 PolarHBondContact O-N 2.84Å; F867-L871 HydrophobicContact CE1-CD2 4.07Å; F867-L871 HydrophobicContact CZ-CD2 4.32Å; F867-L871 WeakPolarHBondContact O-CB 3.5Å; F867-L871 PolarHBondContact O-N 3.1Å
868F88.8Confident81Confident0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-64.9-37.2179.8-76.8-69000112.4V846 M849 L850 L853 A864 V865 E866 L871 L872 I890 L894V846-F868 HydrophobicContact CG1-CE1 4.35Å; M849-F868 HydrophobicContact CB-CE2 3.93Å; M849-F868 HydrophobicContact CB-CZ 4.24Å; L850-F868 HydrophobicContact CD1-CZ 4.28Å; L853-F868 HydrophobicContact CD1-CD2 3.77Å; L853-F868 HydrophobicContact CD1-CE2 3.41Å; L853-F868 VanDerWaalsContact CD1-CE2 3.41Å; L853-F868 HydrophobicContact CD1-CZ 4.26Å; L853-F868 HydrophobicContact CD2-CD2 4.33Å; L853-F868 HydrophobicContact CG-CD2 4.21Å; L853-F868 HydrophobicContact CG-CE2 3.92Å; A864-F868 WeakPolarHBondContact O-CD2 3.34Å; A864-F868 PolarHBondContact O-N 3.1Å; A864-F868 VanDerWaalsContact O-N 3.12Å; V865-F868 PolarHBondContact O-N 3.39Å; E866-F868 PolarHBondContact O-N 3.04Å; F868-L871 HydrophobicContact CD1-CD2 4.43Å; F868-L872 VanDerWaalsContact O-CB 3.32Å; F868-L872 WeakPolarHBondContact O-CB 3.41Å; F868-L872 WeakPolarHBondContact O-CD1 3.37Å; F868-L872 WeakPolarHBondContact O-CG 3.36Å; F868-L872 PolarHBondContact O-N 3.43Å; F868-I890 HydrophobicContact CD1-CG2 4.11Å; F868-I890 HydrophobicContact CE1-CD1 3.99Å; F868-I890 HydrophobicContact CE1-CG1 3.97Å; F868-I890 HydrophobicContact CE1-CG2 4.06Å; F868-I890 HydrophobicContact CZ-CG1 4.23Å; F868-L894 HydrophobicContact CB-CD2 4.33Å
869N88.5Confident79.7Confident23 Ų2339.5 Ų39.512%0.12321%0.214CC..Hα-helixtrans-62.2-44.7176.8-179.454.6000111.6V865 E866 F867 T873 C913 R916V865-N869 WeakPolarHBondContact O-CB 3.48Å; V865-N869 PolarHBondContact O-N 3Å; E866-N869 PolarHBondContact O-N 3.2Å; F867-N869 VanDerWaalsContact C-N 3.34Å; F867-N869 PolarHBondContact O-N 3.17Å; N869-T873 WeakPolarHBondContact O-CB 3.42Å; N869-T873 PolarHBondContact O-N 2.96Å; N869-T873 PolarHBondContact O-OG1 3.48Å; N869-C913 WeakPolarHBondContact CA-SG 3.41Å; N869-C913 VanDerWaalsContact CB-SG 3.56Å; N869-C913 PolarHBondContact N-SG 2.96Å; N869-C913 VanDerWaalsContact N-SG 3.42Å; N869-R916 PolarHBondContact OD1-NH1 2.87Å
870R83.8Confident78.1Confident85 Ų8542.2 Ų42.232%0.32123%0.225SC..Hα-helixtrans-70.5-45.4179.1-169.1153.8174.6-163.410.1111.3W831 N836 E866 F867 L872 T873 T874W831-R870 VanDerWaalsContact CD1-NH1 3.27Å; W831-R870 HydrophobicContact CZ2-CB 3.9Å; W831-R870 HydrophobicContact CZ2-CG 3.86Å; N836-R870 PolarHBondContact OD1-NH2 3.45Å; E866-R870 PolarHBondContact O-N 2.8Å; F867-R870 PolarHBondContact O-N 2.84Å; R870-L872 VanDerWaalsContact C-N 3.32Å; R870-L872 PolarHBondContact O-N 3.1Å; R870-T873 WeakPolarHBondContact O-CA 3.45Å; R870-T873 PolarHBondContact O-N 3.34Å; R870-T874 PolarHBondContact O-N 3.46Å; R870-T874 PolarHBondContact O-OG1 3.09Å
871L83.7Confident76.5Confident8 Ų845.8 Ų45.84%0.04226%0.262CS..Hα-helixtrans-52.8-48175.3-177.868.2000111.9S841 V846 F867 F868 T873 E875S841-L871 WeakPolarHBondContact O-CD1 3.5Å; V846-L871 HydrophobicContact CG2-CD2 4.07Å; F867-L871 HydrophobicContact CE1-CD2 4.07Å; F867-L871 HydrophobicContact CZ-CD2 4.32Å; F867-L871 WeakPolarHBondContact O-CB 3.5Å; F867-L871 PolarHBondContact O-N 3.1Å; F868-L871 HydrophobicContact CD1-CD2 4.43Å; L871-T873 VanDerWaalsContact C-N 3.26Å; L871-T873 PolarHBondContact O-N 3.27Å; L871-E875 HydrophobicContact CD1-CB 4.39Å; L871-E875 PolarHBondContact O-N 3.36Å
872L82.8Confident75.1Confident3 Ų344.3 Ų44.32%0.01626%0.257CS..Hα-helixtrans-71.8-16.7178-67.9169.4000113.7F868 R870 N876 L879 C913 R916 L917F868-L872 VanDerWaalsContact O-CB 3.32Å; F868-L872 WeakPolarHBondContact O-CB 3.41Å; F868-L872 WeakPolarHBondContact O-CD1 3.37Å; F868-L872 WeakPolarHBondContact O-CG 3.36Å; F868-L872 PolarHBondContact O-N 3.43Å; R870-L872 VanDerWaalsContact C-N 3.32Å; R870-L872 PolarHBondContact O-N 3.1Å; L872-N876 PolarHBondContact O-OD1 2.98Å; L872-L879 HydrophobicContact CD2-CD1 3.54Å; L872-C913 HydrophobicContact CD1-CB 3.68Å; L872-R916 HydrophobicContact CB-CB 4.31Å; L872-R916 WeakPolarHBondContact O-CD 3.4Å; L872-L917 HydrophobicContact CD1-CD1 4.28Å; L872-L917 HydrophobicContact CD1-CD2 4.39Å; L872-L917 HydrophobicContact CD1-CG 3.94Å; L872-L917 HydrophobicContact CD2-CD2 3.73Å; L872-L917 HydrophobicContact CD2-CG 4.09Å
873T80Confident73.9Confident77 Ų7745.1 Ų45.147%0.47227%0.267SS..Hα-helixtrans-87.3-37.1177.7-540000111.3N869 R870 L871N869-T873 WeakPolarHBondContact O-CB 3.42Å; N869-T873 PolarHBondContact O-N 2.96Å; N869-T873 PolarHBondContact O-OG1 3.48Å; R870-T873 WeakPolarHBondContact O-CA 3.45Å; R870-T873 PolarHBondContact O-N 3.34Å; L871-T873 VanDerWaalsContact C-N 3.26Å; L871-T873 PolarHBondContact O-N 3.27Å
874T71.4Confident73Confident89 Ų8949.6 Ų49.655%0.54629%0.286SS..Hα-helixtrans-93.4-31.3-176.745.10000114R870R870-T874 PolarHBondContact O-N 3.46Å; R870-T874 PolarHBondContact O-OG1 3.09Å
875E63.4Low72.2Confident62 Ų6252.8 Ų52.829%0.2931%0.313SS..  trans-13647.5-161.6-74.7-175.5172.200113.4L871 S877 L878L871-E875 HydrophobicContact CD1-CB 4.39Å; L871-E875 PolarHBondContact O-N 3.36Å; E875-S877 PolarHBondContact O-N 3.49Å; E875-L878 HydrophobicContact CB-CB 4.43Å; E875-L878 HydrophobicContact CB-CD1 3.75Å; E875-L878 HydrophobicContact CG-CD1 3.78Å; E875-L878 PolarHBondContact O-N 2.98Å; E875-L878 WeakPolarHBondContact OE2-CD1 3.44Å
876N58.8Low71.5Confident82 Ų8255.1 Ų55.144%0.43932%0.324SS..THydrogen-bonded Turntrans-51.2-23.3179-86.4-34.7000114.8L872L872-N876 PolarHBondContact O-OD1 2.98Å
877S55.4Low71Confident83 Ų8353 Ų5358%0.5831%0.314SS*.THydrogen-bonded Turntrans-80.1-19.4-178.452.20000114.9E875 N880E875-S877 PolarHBondContact O-N 3.49Å; S877-N880 VanDerWaalsContact O-CB 3.32Å; S877-N880 WeakPolarHBondContact O-CB 3.49Å; S877-N880 PolarHBondContact O-ND2 3.46Å
878L52.1Low70.5Confident87 Ų8755.6 Ų55.646%0.45533%0.327SS..G310 helixtrans-84.7-28.5-164.3-90.9157000114.2E875 N880E875-L878 HydrophobicContact CB-CB 4.43Å; E875-L878 HydrophobicContact CB-CD1 3.75Å; E875-L878 HydrophobicContact CG-CD1 3.78Å; E875-L878 PolarHBondContact O-N 2.98Å; E875-L878 WeakPolarHBondContact OE2-CD1 3.44Å; L878-N880 PolarHBondContact O-N 3.07Å
879L58.5Low70.3Confident7 Ų759 Ų594%0.03734%0.343CS..G310 helixtrans-75.2-2.5174.2-66.1168.5000112.4L872 G881 E882 L887 I890 L917 Y921L872-L879 HydrophobicContact CD2-CD1 3.54Å; L879-G881 PolarHBondContact O-N 3.48Å; L879-G881 VanDerWaalsContact O-N 3.16Å; L879-E882 HydrophobicContact CD2-CG 4.18Å; L879-E882 PolarHBondContact O-N 3.28Å; L879-E882 VanDerWaalsContact O-N 3.17Å; L879-L887 HydrophobicContact CB-CD2 4.32Å; L879-I890 HydrophobicContact CD2-CD1 4.32Å; L879-L917 HydrophobicContact CD1-CD2 4.27Å; L879-Y921 WeakPolarHBondContact CA-OH 3.25Å; L879-Y921 WeakPolarHBondContact CB-OH 3.32Å; L879-Y921 PolarHBondContact O-OH 3.33Å
880N53.8Low70.3Confident103 Ų10358 Ų5855%0.55134%0.338SS*.G310 helixtrans-65.1-16.4-179.3-73.2-29.5000114S877 L878S877-N880 VanDerWaalsContact O-CB 3.32Å; S877-N880 WeakPolarHBondContact O-CB 3.49Å; S877-N880 PolarHBondContact O-ND2 3.46Å; L878-N880 PolarHBondContact O-N 3.07Å
881G54.8Low70.4Confident76 Ų7654 Ų5478%0.78432%0.323SS*.G310 helixtrans-95.5-6.1176.300000115L879L879-G881 PolarHBondContact O-N 3.48Å; L879-G881 VanDerWaalsContact O-N 3.16Å
882E61.1Low70.6Confident20 Ų2057.9 Ų57.99%0.09334%0.34CS..SBendtrans-76.5146.6-178.3-71.1-141.2150.900112.4F843 L879 Q886F843-E882 HydrophobicContact CE2-CG 3.78Å; F843-E882 WeakPolarHBondContact CE2-OE1 2.93Å; F843-E882 HydrophobicContact CZ-CG 4.08Å; F843-E882 WeakPolarHBondContact CZ-OE1 2.89Å; L879-E882 HydrophobicContact CD2-CG 4.18Å; L879-E882 PolarHBondContact O-N 3.28Å; L879-E882 VanDerWaalsContact O-N 3.17Å; E882-Q886 HydrophobicContact CB-CB 4.41Å; E882-Q886 VanDerWaalsContact CD-NE2 3.34Å; E882-Q886 PolarHBondContact OE1-NE2 2.92Å; E882-Q886 PolarHBondContact OE1-OE1 2.97Å; E882-Q886 WeakPolarHBondContact OE2-CB 3.35Å; E882-Q886 WeakPolarHBondContact OE2-CG 3.16Å; E882-Q886 PolarHBondContact OE2-NE2 3.48Å; E882-Q886 PolarHBondContact OE2-OE1 2.9Å
883S63.2Low70.9Confident68 Ų6857.8 Ų57.848%0.47634%0.341SS..  trans-62145.317473.70000110A885 Q886 L887S883-A885 PolarHBondContact O-N 3.42Å; S883-Q886 PolarHBondContact O-N 3.11Å; S883-Q886 PolarHBondContact OG-N 2.97Å; S883-L887 PolarHBondContact O-N 3.34Å
884Q70.2Confident71.4Confident119 Ų11954.1 Ų54.156%0.55632%0.318SS*.Hα-helixtrans-49.3-37173.8-78.7-175.1-21.600111.5Q886 L887 I888Q884-Q886 VanDerWaalsContact C-N 3.26Å; Q884-Q886 PolarHBondContact O-N 3.42Å; Q884-L887 PolarHBondContact O-N 2.91Å; Q884-I888 WeakPolarHBondContact O-CG1 3.41Å; Q884-I888 PolarHBondContact O-N 3.44Å; Q884-I888 VanDerWaalsContact O-N 3.09Å
885A73.9Confident72.2Confident67 Ų6751.8 Ų51.855%0.55430%0.304SS*.Hα-helixtrans-58.6-32.6178.300000114.3S883 I888 E889S883-A885 PolarHBondContact O-N 3.42Å; A885-I888 WeakPolarHBondContact O-CB 3.36Å; A885-E889 PolarHBondContact O-N 3Å
886Q77.3Confident73.3Confident50 Ų5052.4 Ų52.423%0.23432%0.315CS..Hα-helixtrans-81.4-39.2-176.8-152.9174.9-11.300111.4E882 S883 Q884 I888 E889 I890E882-Q886 HydrophobicContact CB-CB 4.41Å; E882-Q886 VanDerWaalsContact CD-NE2 3.34Å; E882-Q886 PolarHBondContact OE1-NE2 2.92Å; E882-Q886 PolarHBondContact OE1-OE1 2.97Å; E882-Q886 WeakPolarHBondContact OE2-CB 3.35Å; E882-Q886 WeakPolarHBondContact OE2-CG 3.16Å; E882-Q886 PolarHBondContact OE2-NE2 3.48Å; E882-Q886 PolarHBondContact OE2-OE1 2.9Å; S883-Q886 PolarHBondContact O-N 3.11Å; S883-Q886 PolarHBondContact OG-N 2.97Å; Q884-Q886 VanDerWaalsContact C-N 3.26Å; Q884-Q886 PolarHBondContact O-N 3.42Å; Q886-I888 PolarHBondContact O-N 3.39Å; Q886-E889 WeakPolarHBondContact O-CB 3.27Å; Q886-E889 PolarHBondContact O-N 3.41Å; Q886-E889 VanDerWaalsContact O-N 3.09Å; Q886-I890 WeakPolarHBondContact O-CG1 3.24Å; Q886-I890 PolarHBondContact O-N 2.9Å
887L80Confident74.7Confident4 Ų448.7 Ų48.72%0.02130%0.295CS..Hα-helixtrans-60.3-35.7170.1-66.1173000112.2L879 S883 Q884 I890 C891 L917 Y921 F925L879-L887 HydrophobicContact CB-CD2 4.32Å; S883-L887 PolarHBondContact O-N 3.34Å; Q884-L887 PolarHBondContact O-N 2.91Å; L887-I890 PolarHBondContact O-N 3.03Å; L887-C891 PolarHBondContact O-N 2.93Å; L887-C891 VanDerWaalsContact O-N 3.09Å; L887-C891 PolarHBondContact O-SG 3.22Å; L887-L917 HydrophobicContact CD2-CD2 4.46Å; L887-Y921 HydrophobicContact CD1-CD1 3.98Å; L887-Y921 HydrophobicContact CD1-CD2 4.5Å; L887-Y921 HydrophobicContact CD1-CE1 3.55Å; L887-Y921 HydrophobicContact CD1-CE2 4.15Å; L887-Y921 HydrophobicContact CD1-CG 4.42Å; L887-Y921 HydrophobicContact CD2-CE2 3.94Å; L887-F925 HydrophobicContact CB-CE2 3.6Å; L887-F925 HydrophobicContact CB-CZ 4.02Å; L887-F925 HydrophobicContact CD1-CD2 4.37Å; L887-F925 HydrophobicContact CD1-CE2 4.1Å; L887-F925 HydrophobicContact CG-CE2 4.48Å
888I79.2Confident76.1Confident55 Ų5545.8 Ų45.828%0.28227%0.274SS..Hα-helixtrans-60-48.7172.8-70.3-178.6000110.6Q884 A885 Q886 I890 C891 E892 F929Q884-I888 WeakPolarHBondContact O-CG1 3.41Å; Q884-I888 PolarHBondContact O-N 3.44Å; Q884-I888 VanDerWaalsContact O-N 3.09Å; A885-I888 WeakPolarHBondContact O-CB 3.36Å; Q886-I888 PolarHBondContact O-N 3.39Å; I888-I890 VanDerWaalsContact C-N 3.31Å; I888-I890 PolarHBondContact O-N 3.47Å; I888-C891 PolarHBondContact O-N 2.67Å; I888-E892 WeakPolarHBondContact O-CG 3.34Å; I888-E892 PolarHBondContact O-N 3.46Å; I888-F929 HydrophobicContact CB-CE2 4.1Å; I888-F929 HydrophobicContact CB-CZ 3.74Å; I888-F929 HydrophobicContact CD1-CE2 3.59Å; I888-F929 HydrophobicContact CD1-CZ 3.94Å; I888-F929 HydrophobicContact CG1-CD2 4.19Å; I888-F929 HydrophobicContact CG1-CE2 3.26Å; I888-F929 HydrophobicContact CG1-CZ 3.45Å; I888-F929 VanDerWaalsContact CG1-CZ 3.45Å; I888-F929 HydrophobicContact CG2-CE1 4.14Å; I888-F929 HydrophobicContact CG2-CE2 4.15Å; I888-F929 HydrophobicContact CG2-CZ 3.38Å
889E84.6Confident77.5Confident72 Ų7244.5 Ų44.534%0.33627%0.273SS..Hα-helixtrans-64.6-37.2-178-163.5171.5-176.600111.9L850 K854 A885 Q886 G893L850-E889 HydrophobicContact CD1-CB 4.3Å; L850-E889 HydrophobicContact CD1-CG 4.19Å; L850-E889 HydrophobicContact CD2-CB 4.1Å; L850-E889 HydrophobicContact CD2-CG 3.59Å; L850-E889 WeakPolarHBondContact CD2-OE2 3.27Å; L850-E889 HydrophobicContact CG-CG 4Å; K854-E889 IonicContact NZ-OE1 2.79Å; K854-E889 PolarHBondContact NZ-OE1 3.04Å; A885-E889 PolarHBondContact O-N 3Å; Q886-E889 WeakPolarHBondContact O-CB 3.27Å; Q886-E889 PolarHBondContact O-N 3.41Å; Q886-E889 VanDerWaalsContact O-N 3.09Å; E889-G893 PolarHBondContact O-N 2.9Å
890I87.6Confident78Confident1 Ų151.7 Ų51.71%0.00531%0.306CS..Hα-helixtrans-62.1-50174.3-66.3167.5000110.4L850 F868 L879 Q886 L887 I888 E892 G893 L894 L917L850-I890 HydrophobicContact CD1-CB 4.11Å; L850-I890 HydrophobicContact CD1-CG1 3.32Å; F868-I890 HydrophobicContact CD1-CG2 4.11Å; F868-I890 HydrophobicContact CE1-CD1 3.99Å; F868-I890 HydrophobicContact CE1-CG1 3.97Å; F868-I890 HydrophobicContact CE1-CG2 4.06Å; F868-I890 HydrophobicContact CZ-CG1 4.23Å; L879-I890 HydrophobicContact CD2-CD1 4.32Å; Q886-I890 WeakPolarHBondContact O-CG1 3.24Å; Q886-I890 PolarHBondContact O-N 2.9Å; L887-I890 PolarHBondContact O-N 3.03Å; I888-I890 VanDerWaalsContact C-N 3.31Å; I888-I890 PolarHBondContact O-N 3.47Å; I890-E892 PolarHBondContact O-N 2.74Å; I890-G893 PolarHBondContact O-N 3.42Å; I890-L894 HydrophobicContact CG2-CD1 3.83Å; I890-L894 HydrophobicContact CG2-CG 4.32Å; I890-L894 WeakPolarHBondContact O-CB 3.16Å; I890-L894 WeakPolarHBondContact O-CG 3.14Å; I890-L894 PolarHBondContact O-N 3.3Å; I890-L917 HydrophobicContact CG2-CD1 4.21Å
891C87.6Confident79.1Confident1 Ų154 Ų541%0.00732%0.318CS..Hα-helixtrans-59.4-46.4178.9-78.30000112.1L887 I888 L894 V895 L914 F929 I933L887-C891 PolarHBondContact O-N 2.93Å; L887-C891 VanDerWaalsContact O-N 3.09Å; L887-C891 PolarHBondContact O-SG 3.22Å; I888-C891 PolarHBondContact O-N 2.67Å; C891-L894 PolarHBondContact O-N 3.26Å; C891-V895 WeakPolarHBondContact O-CB 3.21Å; C891-V895 VanDerWaalsContact O-CG2 3.27Å; C891-V895 WeakPolarHBondContact O-CG2 3.33Å; C891-V895 PolarHBondContact O-N 3.34Å; C891-L914 HydrophobicContact CB-CD2 4.49Å; C891-F929 HydrophobicContact CB-CD1 4.19Å; C891-F929 HydrophobicContact CB-CE1 4.37Å; C891-I933 HydrophobicContact CB-CD1 4.08Å
892E86.8Confident80.2Confident89 Ų8951.2 Ų51.242%0.41629%0.287SS..Hα-helixtrans-66.1-40.1179-69.5-174.5158.800111.6I888 I890 V895 S896 F929 K932I888-E892 WeakPolarHBondContact O-CG 3.34Å; I888-E892 PolarHBondContact O-N 3.46Å; I890-E892 PolarHBondContact O-N 2.74Å; E892-V895 PolarHBondContact O-N 2.86Å; E892-S896 WeakPolarHBondContact O-CB 3.09Å; E892-S896 PolarHBondContact O-N 3.26Å; E892-F929 HydrophobicContact CG-CE1 4.1Å; E892-K932 IonicContact OE1-NZ 3.47Å; E892-K932 PolarHBondContact OE1-NZ 3.05Å
893G89.1Confident81.2Confident2 Ų255.5 Ų55.52%0.02131%0.307CS..Hα-helixtrans-62.3-47.3174.800000112.8E889 I890 V895 S896 C897E889-G893 PolarHBondContact O-N 2.9Å; I890-G893 PolarHBondContact O-N 3.42Å; G893-V895 PolarHBondContact O-N 3.46Å; G893-S896 PolarHBondContact O-N 3.19Å; G893-S896 PolarHBondContact O-OG 3.35Å; G893-C897 PolarHBondContact O-N 3.16Å; G893-C897 PolarHBondContact O-SG 3.14Å; G893-C897 VanDerWaalsContact O-SG 3.36Å
894L91.1Very high82.3Confident0 Ų053.3 Ų53.30%029%0.293CS..Hα-helixtrans-60.9-45.8177.7-76.8172.5000111.6L853 V865 F868 I890 C891 S896 C897 V910 C913 L914 L917L853-L894 HydrophobicContact CD1-CD2 4.4Å; L853-L894 HydrophobicContact CD1-CG 4.28Å; L853-L894 HydrophobicContact CD2-CD2 4.1Å; V865-L894 HydrophobicContact CG2-CD2 4.41Å; F868-L894 HydrophobicContact CB-CD2 4.33Å; I890-L894 HydrophobicContact CG2-CD1 3.83Å; I890-L894 HydrophobicContact CG2-CG 4.32Å; I890-L894 WeakPolarHBondContact O-CB 3.16Å; I890-L894 WeakPolarHBondContact O-CG 3.14Å; I890-L894 PolarHBondContact O-N 3.3Å; C891-L894 PolarHBondContact O-N 3.26Å; L894-S896 VanDerWaalsContact C-N 3.29Å; L894-S896 PolarHBondContact O-N 2.99Å; L894-C897 WeakPolarHBondContact O-CB 3.39Å; L894-C897 PolarHBondContact O-N 3.36Å; L894-V910 HydrophobicContact CB-CG1 4.23Å; L894-V910 WeakPolarHBondContact O-CG1 3.4Å; L894-C913 HydrophobicContact CD1-CB 3.7Å; L894-C913 HydrophobicContact CD2-CB 4.37Å; L894-L914 HydrophobicContact CB-CD2 4.27Å; L894-L914 HydrophobicContact CD1-CD2 4.2Å; L894-L917 HydrophobicContact CD1-CD1 4.11Å
895V87.5Confident82.9Confident40 Ų4051.8 Ų51.824%0.24229%0.288CS..Hα-helixtrans-61.1-39.1177.5167.90000111.5C891 E892 G893 C897 C898 L914 A936C891-V895 WeakPolarHBondContact O-CB 3.21Å; C891-V895 VanDerWaalsContact O-CG2 3.27Å; C891-V895 WeakPolarHBondContact O-CG2 3.33Å; C891-V895 PolarHBondContact O-N 3.34Å; E892-V895 PolarHBondContact O-N 2.86Å; G893-V895 PolarHBondContact O-N 3.46Å; V895-C897 PolarHBondContact O-N 3.21Å; V895-C897 VanDerWaalsContact O-N 3.16Å; V895-C898 PolarHBondContact O-N 3.28Å; V895-C898 VanDerWaalsContact O-N 3.15Å; V895-L914 HydrophobicContact CG2-CD1 3.88Å; V895-L914 HydrophobicContact CG2-CD2 4.4Å; V895-A936 HydrophobicContact CG1-CB 3.49Å; V895-A936 VanDerWaalsContact CG1-CB 3.49Å; V895-A936 HydrophobicContact CG2-CB 4.39Å
896S87.3Confident83.6Confident74 Ų7449.1 Ų49.152%0.51727%0.265SS..Hα-helixtrans-63.9-19179.978.60000114.2E892 G893 L894 C898E892-S896 WeakPolarHBondContact O-CB 3.09Å; E892-S896 PolarHBondContact O-N 3.26Å; G893-S896 PolarHBondContact O-N 3.19Å; G893-S896 PolarHBondContact O-OG 3.35Å; L894-S896 VanDerWaalsContact C-N 3.29Å; L894-S896 PolarHBondContact O-N 2.99Å; S896-C898 VanDerWaalsContact C-N 3.29Å; S896-C898 PolarHBondContact O-N 3.49Å
897C87.2Confident84.1Confident5 Ų546.8 Ų46.83%0.03425%0.254CS..THydrogen-bonded Turntrans-76.8-13.8177.9-64.20000113.5V865 G893 L894 V895 S902 V910V865-C897 HydrophobicContact CG2-CB 4.09Å; G893-C897 PolarHBondContact O-N 3.16Å; G893-C897 PolarHBondContact O-SG 3.14Å; G893-C897 VanDerWaalsContact O-SG 3.36Å; L894-C897 WeakPolarHBondContact O-CB 3.39Å; L894-C897 PolarHBondContact O-N 3.36Å; V895-C897 PolarHBondContact O-N 3.21Å; V895-C897 VanDerWaalsContact O-N 3.16Å; C897-S902 PolarHBondContact O-OG 3.5Å; C897-S902 VanDerWaalsContact O-OG 3.08Å; C897-V910 HydrophobicContact CB-CG2 4.24Å
898C85.3Confident84.5Confident21 Ų2147.6 Ų47.614%0.14226%0.26CS..  trans-99.7123.4-177.1-72.40000112.2V895 S896 V910 F940V895-C898 PolarHBondContact O-N 3.28Å; V895-C898 VanDerWaalsContact O-N 3.15Å; S896-C898 VanDerWaalsContact C-N 3.29Å; S896-C898 PolarHBondContact O-N 3.49Å; C898-V910 VanDerWaalsContact SG-CG1 3.58Å; C898-F940 HydrophobicContact CB-CE1 4.37Å; C898-F940 HydrophobicContact CB-CE2 4.1Å; C898-F940 HydrophobicContact CB-CZ 3.71Å
899S80.9Confident85.1Confident60 Ų6049.4 Ų49.442%0.4226%0.263SS..  trans-135.8168.9170.372.40000109.8N901 S902S899-N901 PolarHBondContact O-N 3.45Å; S899-N901 VanDerWaalsContact O-N 3.08Å; S899-N901 PolarHBondContact OG-N 3.27Å; S899-S902 PolarHBondContact N-OG 3.36Å; S899-S902 PolarHBondContact O-N 2.97Å; S899-S902 VanDerWaalsContact O-N 3.13Å; S899-S902 PolarHBondContact OG-N 3.27Å; S899-S902 PolarHBondContact OG-OG 3.3Å
900E70.4Confident85.5Confident159 Ų15946 Ų4674%0.74325%0.247SC*.THydrogen-bonded Turntrans-58.4-22176.4-71.3-172.8163.100113.7
901N76.3Confident85.7Confident150 Ų15046.1 Ų46.180%0.80225%0.248SC*.THydrogen-bonded Turntrans-99.9-5.3-178.8-68-34.7000114S899S899-N901 PolarHBondContact O-N 3.45Å; S899-N901 VanDerWaalsContact O-N 3.08Å; S899-N901 PolarHBondContact OG-N 3.27Å
902S78.4Confident85.9Confident18 Ų1846.9 Ų46.913%0.12625%0.254CS..SBendtrans-65.8149.7-177.2-62.10000112.3C897 S899 A904 C907C897-S902 PolarHBondContact O-OG 3.5Å; C897-S902 VanDerWaalsContact O-OG 3.08Å; S899-S902 PolarHBondContact N-OG 3.36Å; S899-S902 PolarHBondContact O-N 2.97Å; S899-S902 VanDerWaalsContact O-N 3.13Å; S899-S902 PolarHBondContact OG-N 3.27Å; S899-S902 PolarHBondContact OG-OG 3.3Å; S902-A904 PolarHBondContact O-N 3.4Å; S902-C907 VanDerWaalsContact CB-SG 3.55Å
903H82Confident86.1Confident110 Ų11042.6 Ų42.651%0.50923%0.234SC..  trans-61135.2179.1-164-99.9000111.9I905 V906 C907H903-I905 VanDerWaalsContact C-N 3.27Å; H903-I905 PolarHBondContact O-N 3.38Å; H903-I905 VanDerWaalsContact O-N 3.17Å; H903-V906 HydrophobicContact CB-CG2 4Å; H903-V906 WeakPolarHBondContact O-CB 3.43Å; H903-V906 PolarHBondContact O-N 3Å; H903-C907 PolarHBondContact O-N 3.46Å; H903-C907 VanDerWaalsContact O-N 3.16Å
904A84.7Confident86.1Confident23 Ų2342.5 Ų42.519%0.1923%0.233CC..Hα-helixtrans-59.5-35.5-170.500000113.9S902 V906 S908 K945 V948S902-A904 PolarHBondContact O-N 3.4Å; A904-V906 VanDerWaalsContact C-N 3.34Å; A904-S908 WeakPolarHBondContact O-CB 3.33Å; A904-S908 PolarHBondContact O-N 3.34Å; A904-K945 HydrophobicContact CB-CB 4.25Å; A904-K945 HydrophobicContact CB-CG 3.97Å; A904-V948 HydrophobicContact CB-CG2 3.72Å; A904-V948 WeakPolarHBondContact O-CG2 3.4Å
905I84.3Confident86.1Confident86 Ų8644.8 Ų44.844%0.44124%0.244SC..Hα-helixtrans-65.6-39.9177.5-62.7178.6000110.6H903 S908 R909H903-I905 VanDerWaalsContact C-N 3.27Å; H903-I905 PolarHBondContact O-N 3.38Å; H903-I905 VanDerWaalsContact O-N 3.17Å; I905-S908 WeakPolarHBondContact O-CB 3.31Å; I905-S908 PolarHBondContact O-N 3.47Å; I905-R909 WeakPolarHBondContact O-CG 3.47Å; I905-R909 PolarHBondContact O-N 3.13Å
906V87.1Confident86.1Confident12 Ų1246.1 Ų46.17%0.07324%0.244CC..Hα-helixtrans-65.9-48.5-179.7-179.70000109.8N862 V865 H903 A904 S908 R909 V910N862-V906 WeakPolarHBondContact OD1-CG2 3.44Å; V865-V906 HydrophobicContact CG1-CG1 4.33Å; V865-V906 HydrophobicContact CG2-CG1 4.26Å; H903-V906 HydrophobicContact CB-CG2 4Å; H903-V906 WeakPolarHBondContact O-CB 3.43Å; H903-V906 PolarHBondContact O-N 3Å; A904-V906 VanDerWaalsContact C-N 3.34Å; V906-S908 VanDerWaalsContact C-N 3.3Å; V906-S908 PolarHBondContact O-N 3.5Å; V906-R909 PolarHBondContact O-N 3.33Å; V906-R909 VanDerWaalsContact O-N 3.12Å; V906-V910 WeakPolarHBondContact O-CG2 3.17Å; V906-V910 PolarHBondContact O-N 3.44Å
907C88.7Confident86.1Confident0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-58.2-42.8175.4-63.70000112S902 H903 R909 V910 F911 V948S902-C907 VanDerWaalsContact CB-SG 3.55Å; H903-C907 PolarHBondContact O-N 3.46Å; H903-C907 VanDerWaalsContact O-N 3.16Å; C907-R909 VanDerWaalsContact C-N 3.31Å; C907-R909 PolarHBondContact O-N 3.18Å; C907-V910 PolarHBondContact O-N 3.45Å; C907-F911 HydrophobicContact CB-CE2 4.09Å; C907-F911 WeakPolarHBondContact O-CD2 3.5Å; C907-F911 VanDerWaalsContact O-CG 3.27Å; C907-F911 WeakPolarHBondContact O-CG 3.42Å; C907-F911 PolarHBondContact O-N 3.27Å; C907-V948 HydrophobicContact CB-CG1 3.98Å; C907-V948 HydrophobicContact CB-CG2 4.3Å
908S88.2Confident86Confident21 Ų2142.4 Ų42.415%0.14722%0.218CC..Hα-helixtrans-59.7-41.8176.4-173.80000112.4A904 I905 V906 A912 L947A904-S908 WeakPolarHBondContact O-CB 3.33Å; A904-S908 PolarHBondContact O-N 3.34Å; I905-S908 WeakPolarHBondContact O-CB 3.31Å; I905-S908 PolarHBondContact O-N 3.47Å; V906-S908 VanDerWaalsContact C-N 3.3Å; V906-S908 PolarHBondContact O-N 3.5Å; S908-A912 WeakPolarHBondContact O-CB 3.3Å; S908-A912 PolarHBondContact O-N 3.34Å; S908-L947 VanDerWaalsContact OG-CD2 3.25Å; S908-L947 WeakPolarHBondContact OG-CD2 3.36Å
909R91.6Very high85.8Confident93 Ų9347.3 Ų47.335%0.35124%0.243SC..Hα-helixtrans-70.1-42.7179.5-73.7168.5168.6177.5-2.9111.8V865 E866 I905 V906 C907 F911 A912 C913V865-R909 HydrophobicContact CG1-CB 3.77Å; E866-R909 IonicContact OE1-CZ 3.18Å; E866-R909 IonicContact OE1-NE 2.7Å; E866-R909 IonicContact OE1-NH1 2.78Å; E866-R909 IonicContact OE1-NH2 2.69Å; E866-R909 PolarHBondContact OE1-NH2 3.24Å; E866-R909 WeakPolarHBondContact OE2-CD 3.34Å; E866-R909 IonicContact OE2-CZ 3.64Å; E866-R909 IonicContact OE2-NE 3.14Å; E866-R909 PolarHBondContact OE2-NE 3.48Å; E866-R909 IonicContact OE2-NH1 3.87Å; E866-R909 PolarHBondContact OE2-NH1 3.42Å; E866-R909 IonicContact OE2-NH2 2.76Å; E866-R909 PolarHBondContact OE2-NH2 3.08Å; I905-R909 WeakPolarHBondContact O-CG 3.47Å; I905-R909 PolarHBondContact O-N 3.13Å; V906-R909 PolarHBondContact O-N 3.33Å; V906-R909 VanDerWaalsContact O-N 3.12Å; C907-R909 VanDerWaalsContact C-N 3.31Å; C907-R909 PolarHBondContact O-N 3.18Å; R909-F911 VanDerWaalsContact C-N 3.34Å; R909-F911 PolarHBondContact O-N 3.04Å; R909-A912 PolarHBondContact O-N 2.7Å; R909-C913 PolarHBondContact O-N 3.38Å; R909-C913 PolarHBondContact O-SG 3.08Å
910V92.9Very high85.7Confident0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-54.9-49.3173167.90000111V865 L894 C897 C898 V906 C907 A912 C913 L914V865-V910 HydrophobicContact CB-CG2 4.47Å; V865-V910 HydrophobicContact CG1-CG2 3.79Å; V865-V910 HydrophobicContact CG2-CG2 3.75Å; L894-V910 HydrophobicContact CB-CG1 4.23Å; L894-V910 WeakPolarHBondContact O-CG1 3.4Å; C897-V910 HydrophobicContact CB-CG2 4.24Å; C898-V910 VanDerWaalsContact SG-CG1 3.58Å; V906-V910 WeakPolarHBondContact O-CG2 3.17Å; V906-V910 PolarHBondContact O-N 3.44Å; C907-V910 PolarHBondContact O-N 3.45Å; V910-A912 VanDerWaalsContact C-N 3.35Å; V910-A912 PolarHBondContact O-N 2.91Å; V910-C913 WeakPolarHBondContact O-CB 3.37Å; V910-C913 PolarHBondContact O-N 3.25Å; V910-L914 HydrophobicContact CG1-CD1 4.14Å; V910-L914 HydrophobicContact CG1-CG 4.49Å; V910-L914 WeakPolarHBondContact O-CG 3.32Å; V910-L914 PolarHBondContact O-N 3.19Å
911F92.8Very high85.9Confident4 Ų440.2 Ų40.22%0.01821%0.208CC..Hα-helixtrans-66-37.1-179.8-59.8-34.7000112.6C907 R909 C913 L914 Q915 I937 F940 V948 A951 A952 A955C907-F911 HydrophobicContact CB-CE2 4.09Å; C907-F911 WeakPolarHBondContact O-CD2 3.5Å; C907-F911 VanDerWaalsContact O-CG 3.27Å; C907-F911 WeakPolarHBondContact O-CG 3.42Å; C907-F911 PolarHBondContact O-N 3.27Å; R909-F911 VanDerWaalsContact C-N 3.34Å; R909-F911 PolarHBondContact O-N 3.04Å; F911-C913 VanDerWaalsContact C-N 3.34Å; F911-C913 PolarHBondContact O-N 2.9Å; F911-L914 HydrophobicContact CD1-CD1 4.35Å; F911-L914 PolarHBondContact O-N 2.85Å; F911-Q915 WeakPolarHBondContact O-CB 3.17Å; F911-Q915 PolarHBondContact O-N 3.34Å; F911-I937 HydrophobicContact CD1-CD1 4.39Å; F911-I937 HydrophobicContact CD1-CG1 4.01Å; F911-I937 HydrophobicContact CD1-CG2 4.2Å; F911-I937 HydrophobicContact CE1-CB 4.41Å; F911-I937 HydrophobicContact CE1-CG1 3.94Å; F911-I937 HydrophobicContact CE1-CG2 4.09Å; F911-I937 HydrophobicContact CZ-CG2 4.43Å; F911-F940 HydrophobicContact CE1-CD2 4.36Å; F911-F940 HydrophobicContact CE2-CB 3.72Å; F911-F940 HydrophobicContact CE2-CD1 4.19Å; F911-F940 HydrophobicContact CE2-CD2 4.48Å; F911-F940 AromaticContact CE2-CG 3.89Å; F911-F940 HydrophobicContact CE2-CG 3.89Å; F911-F940 HydrophobicContact CZ-CB 3.66Å; F911-F940 AromaticContact CZ-CD1 3.91Å; F911-F940 HydrophobicContact CZ-CD1 3.91Å; F911-F940 AromaticContact CZ-CD2 3.6Å; F911-F940 HydrophobicContact CZ-CD2 3.6Å; F911-F940 HydrophobicContact CZ-CE1 4.47Å; F911-F940 HydrophobicContact CZ-CE2 4.19Å; F911-F940 AromaticContact CZ-CG 3.44Å; F911-F940 HydrophobicContact CZ-CG 3.44Å; F911-F940 VanDerWaalsContact CZ-CG 3.44Å; F911-V948 HydrophobicContact CD2-CG1 4.45Å; F911-V948 HydrophobicContact CE2-CG1 3.81Å; F911-A951 HydrophobicContact CB-CB 3.97Å; F911-A951 HydrophobicContact CD2-CB 4.27Å; F911-A952 HydrophobicContact CD2-CB 3.87Å; F911-A952 HydrophobicContact CE2-CB 3.93Å; F911-A955 HydrophobicContact CB-CB 4.06Å; F911-A955 WeakPolarHBondContact O-CB 3.36Å
912A90.9Very high85.5Confident17 Ų1735.6 Ų35.614%0.1420%0.197CC..Hα-helixtrans-63-38.517300000112.2S908 R909 V910 Q915 R916S908-A912 WeakPolarHBondContact O-CB 3.3Å; S908-A912 PolarHBondContact O-N 3.34Å; R909-A912 PolarHBondContact O-N 2.7Å; V910-A912 VanDerWaalsContact C-N 3.35Å; V910-A912 PolarHBondContact O-N 2.91Å; A912-Q915 PolarHBondContact O-N 2.72Å; A912-R916 WeakPolarHBondContact O-CG 3.46Å; A912-R916 PolarHBondContact O-N 3.44Å; A912-R916 PolarHBondContact O-NH1 3.41Å
913C90.7Very high85.1Confident0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-61.3-49.9172.3-64.40000111.8N869 L872 L894 R909 V910 F911 Q915 R916 L917N869-C913 WeakPolarHBondContact CA-SG 3.41Å; N869-C913 VanDerWaalsContact CB-SG 3.56Å; N869-C913 PolarHBondContact N-SG 2.96Å; N869-C913 VanDerWaalsContact N-SG 3.42Å; L872-C913 HydrophobicContact CD1-CB 3.68Å; L894-C913 HydrophobicContact CD1-CB 3.7Å; L894-C913 HydrophobicContact CD2-CB 4.37Å; R909-C913 PolarHBondContact O-N 3.38Å; R909-C913 PolarHBondContact O-SG 3.08Å; V910-C913 WeakPolarHBondContact O-CB 3.37Å; V910-C913 PolarHBondContact O-N 3.25Å; F911-C913 VanDerWaalsContact C-N 3.34Å; F911-C913 PolarHBondContact O-N 2.9Å; C913-Q915 VanDerWaalsContact C-N 3.28Å; C913-Q915 PolarHBondContact O-N 2.96Å; C913-R916 PolarHBondContact O-N 3.17Å; C913-L917 WeakPolarHBondContact O-CG 3.49Å; C913-L917 PolarHBondContact O-N 3.5Å
914L90.1Very high84.4Confident0 Ų040.1 Ų40.10%023%0.225CC..Hα-helixtrans-61.8-37.2-179.7-66176.5000111.9C891 L894 V895 V910 F911 S918 I933 I937 W959C891-L914 HydrophobicContact CB-CD2 4.49Å; L894-L914 HydrophobicContact CB-CD2 4.27Å; L894-L914 HydrophobicContact CD1-CD2 4.2Å; V895-L914 HydrophobicContact CG2-CD1 3.88Å; V895-L914 HydrophobicContact CG2-CD2 4.4Å; V910-L914 HydrophobicContact CG1-CD1 4.14Å; V910-L914 HydrophobicContact CG1-CG 4.49Å; V910-L914 WeakPolarHBondContact O-CG 3.32Å; V910-L914 PolarHBondContact O-N 3.19Å; F911-L914 HydrophobicContact CD1-CD1 4.35Å; F911-L914 PolarHBondContact O-N 2.85Å; L914-S918 PolarHBondContact O-N 3.21Å; L914-S918 VanDerWaalsContact O-N 3.11Å; L914-I933 HydrophobicContact CD1-CG2 4.26Å; L914-I933 HydrophobicContact CD2-CD1 4.25Å; L914-I937 HydrophobicContact CD1-CD1 4.04Å; L914-I937 HydrophobicContact CD1-CG1 4.32Å; L914-W959 PolarHBondContact O-NE1 3.37Å
915Q89.8Confident84Confident47 Ų4739.6 Ų39.622%0.2222%0.218CC..Hα-helixtrans-62.5-50.6173.8-172.5-168.317.900111.1F911 A912 C913 L917 S918 L919 A955 A958F911-Q915 WeakPolarHBondContact O-CB 3.17Å; F911-Q915 PolarHBondContact O-N 3.34Å; A912-Q915 PolarHBondContact O-N 2.72Å; C913-Q915 VanDerWaalsContact C-N 3.28Å; C913-Q915 PolarHBondContact O-N 2.96Å; Q915-L917 VanDerWaalsContact C-N 3.33Å; Q915-L917 PolarHBondContact O-N 3.17Å; Q915-S918 PolarHBondContact O-N 3.19Å; Q915-S918 VanDerWaalsContact O-N 3.11Å; Q915-S918 PolarHBondContact O-OG 3.37Å; Q915-L919 HydrophobicContact CG-CD1 4.3Å; Q915-L919 WeakPolarHBondContact O-CG 3.23Å; Q915-L919 PolarHBondContact O-N 2.95Å; Q915-L919 VanDerWaalsContact O-N 3.13Å; Q915-A955 HydrophobicContact CB-CB 4.23Å; Q915-A958 HydrophobicContact CG-CB 3.81Å
916R88.3Confident83.6Confident68 Ų6838.1 Ų38.126%0.25721%0.21SC..Hα-helixtrans-62-40.6-179.7-70-178-167.6100.4-6.3112.3N869 L872 A912 C913 S918 L919 A920N869-R916 PolarHBondContact OD1-NH1 2.87Å; L872-R916 HydrophobicContact CB-CB 4.31Å; L872-R916 WeakPolarHBondContact O-CD 3.4Å; A912-R916 WeakPolarHBondContact O-CG 3.46Å; A912-R916 PolarHBondContact O-N 3.44Å; A912-R916 PolarHBondContact O-NH1 3.41Å; C913-R916 PolarHBondContact O-N 3.17Å; R916-S918 VanDerWaalsContact C-N 3.32Å; R916-S918 PolarHBondContact O-N 3.38Å; R916-L919 PolarHBondContact O-N 2.96Å; R916-L919 VanDerWaalsContact O-N 3.16Å; R916-A920 WeakPolarHBondContact O-CB 3.04Å; R916-A920 PolarHBondContact O-N 3.4Å
917L86.8Confident83.2Confident1 Ų147.4 Ų47.41%0.00524%0.243CC..Hα-helixtrans-59.5-41.3173.5-74.3168.5000111.9L872 L879 L887 I890 L894 C913 Q915 L919 Y921L872-L917 HydrophobicContact CD1-CD1 4.28Å; L872-L917 HydrophobicContact CD1-CD2 4.39Å; L872-L917 HydrophobicContact CD1-CG 3.94Å; L872-L917 HydrophobicContact CD2-CD2 3.73Å; L872-L917 HydrophobicContact CD2-CG 4.09Å; L879-L917 HydrophobicContact CD1-CD2 4.27Å; L887-L917 HydrophobicContact CD2-CD2 4.46Å; I890-L917 HydrophobicContact CG2-CD1 4.21Å; L894-L917 HydrophobicContact CD1-CD1 4.11Å; C913-L917 WeakPolarHBondContact O-CG 3.49Å; C913-L917 PolarHBondContact O-N 3.5Å; Q915-L917 VanDerWaalsContact C-N 3.33Å; Q915-L917 PolarHBondContact O-N 3.17Å; L917-L919 VanDerWaalsContact C-N 3.3Å; L917-L919 PolarHBondContact O-N 2.93Å; L917-Y921 HydrophobicContact CD2-CD2 4.42Å; L917-Y921 HydrophobicContact CD2-CE2 4Å; L917-Y921 WeakPolarHBondContact O-CD2 3.25Å; L917-Y921 PolarHBondContact O-N 3.03Å
918S85.1Confident82.5Confident0 Ų051.2 Ų51.20%027%0.27CS..Hα-helixtrans-64.9-34.2176.673.30000113.2L914 Q915 R916 Q926 A958L914-S918 PolarHBondContact O-N 3.21Å; L914-S918 VanDerWaalsContact O-N 3.11Å; Q915-S918 PolarHBondContact O-N 3.19Å; Q915-S918 VanDerWaalsContact O-N 3.11Å; Q915-S918 PolarHBondContact O-OG 3.37Å; R916-S918 VanDerWaalsContact C-N 3.32Å; R916-S918 PolarHBondContact O-N 3.38Å; S918-Q926 PolarHBondContact O-NE2 2.88Å; S918-A958 WeakPolarHBondContact OG-CB 3.34Å; S918-A958 PolarHBondContact OG-O 3Å
919L82.7Confident82Confident125 Ų12550.6 Ų50.665%0.65427%0.265SS*.Hα-helixtrans-80.4-31.8-178.3-66.4173.1000112.7Q915 R916 L917 A958Q915-L919 HydrophobicContact CG-CD1 4.3Å; Q915-L919 WeakPolarHBondContact O-CG 3.23Å; Q915-L919 PolarHBondContact O-N 2.95Å; Q915-L919 VanDerWaalsContact O-N 3.13Å; R916-L919 PolarHBondContact O-N 2.96Å; R916-L919 VanDerWaalsContact O-N 3.16Å; L917-L919 VanDerWaalsContact C-N 3.3Å; L917-L919 PolarHBondContact O-N 2.93Å; L919-A958 HydrophobicContact CD2-CB 4.44Å; L919-A958 HydrophobicContact CG-CB 4.5Å
920A78Confident81.7Confident40 Ų4053 Ų5333%0.33127%0.274SS..Hα-helixtrans-74.8-31.6-179.800000112.8R916R916-A920 WeakPolarHBondContact O-CB 3.04Å; R916-A920 PolarHBondContact O-N 3.4Å
921Y74.1Confident81.3Confident29 Ų2957.8 Ų57.811%0.11431%0.306CS..SBendtrans-110.5135.8-174.2-67-82.3000113.1L879 L887 L917 F925L879-Y921 WeakPolarHBondContact CA-OH 3.25Å; L879-Y921 WeakPolarHBondContact CB-OH 3.32Å; L879-Y921 PolarHBondContact O-OH 3.33Å; L887-Y921 HydrophobicContact CD1-CD1 3.98Å; L887-Y921 HydrophobicContact CD1-CD2 4.5Å; L887-Y921 HydrophobicContact CD1-CE1 3.55Å; L887-Y921 HydrophobicContact CD1-CE2 4.15Å; L887-Y921 HydrophobicContact CD1-CG 4.42Å; L887-Y921 HydrophobicContact CD2-CE2 3.94Å; L917-Y921 HydrophobicContact CD2-CD2 4.42Å; L917-Y921 HydrophobicContact CD2-CE2 4Å; L917-Y921 WeakPolarHBondContact O-CD2 3.25Å; L917-Y921 PolarHBondContact O-N 3.03Å; Y921-F925 HydrophobicContact CD2-CE1 4.43Å; Y921-F925 HydrophobicContact CG-CD1 4.19Å; Y921-F925 HydrophobicContact CG-CG 4.4Å
922G67.5Low80.9Confident54 Ų5463.5 Ų63.556%0.55733%0.331SS*.  trans-63.3174.9-17500000115.7E924 F925 Q926G922-E924 PolarHBondContact O-N 2.99Å; G922-F925 PolarHBondContact O-N 3.27Å; G922-F925 VanDerWaalsContact O-N 3.07Å; G922-Q926 PolarHBondContact O-N 3.17Å
923S70.6Confident80.7Confident80 Ų8062.8 Ų62.856%0.55933%0.325SS*.Hα-helixtrans-56.7-22.9-170.553.80000116.2R927S923-R927 PolarHBondContact O-N 3.3Å; S923-R927 VanDerWaalsContact O-N 3.17Å
924E68.6Low80.6Confident143 Ų14364.9 Ų64.967%0.66834%0.337SS*.Hα-helixtrans-71.7-40.7176.9-71.8-167.8155.100112.9G922 R927 S928G922-E924 PolarHBondContact O-N 2.99Å; E924-R927 PolarHBondContact O-N 2.86Å; E924-S928 PolarHBondContact O-OG 3.23Å
925F74.4Confident80.6Confident12 Ų1272.8 Ų72.85%0.05337%0.372CS..Hα-helixtrans-65-44.5174.8175.3-104.9000110.6L887 Y921 G922 R927 S928 W959L887-F925 HydrophobicContact CB-CE2 3.6Å; L887-F925 HydrophobicContact CB-CZ 4.02Å; L887-F925 HydrophobicContact CD1-CD2 4.37Å; L887-F925 HydrophobicContact CD1-CE2 4.1Å; L887-F925 HydrophobicContact CG-CE2 4.48Å; Y921-F925 HydrophobicContact CD2-CE1 4.43Å; Y921-F925 HydrophobicContact CG-CD1 4.19Å; Y921-F925 HydrophobicContact CG-CG 4.4Å; G922-F925 PolarHBondContact O-N 3.27Å; G922-F925 VanDerWaalsContact O-N 3.07Å; F925-R927 PolarHBondContact O-N 3.48Å; F925-S928 PolarHBondContact O-N 3.25Å; F925-W959 HydrophobicContact CD1-CH2 4.17Å; F925-W959 AromaticContact CE1-CH2 3.6Å; F925-W959 HydrophobicContact CE1-CH2 3.6Å; F925-W959 HydrophobicContact CE1-CZ2 4.33Å; F925-W959 HydrophobicContact CE1-CZ3 4.46Å; F925-W959 HydrophobicContact CZ-CH2 4.3Å
926Q77.2Confident80.4Confident55 Ų5572.1 Ų72.126%0.25737%0.374SS..Hα-helixtrans-57.1-45.5178-66.2179.4-500112.1S918 G922 S928 F929 R930S918-Q926 PolarHBondContact O-NE2 2.88Å; G922-Q926 PolarHBondContact O-N 3.17Å; Q926-S928 PolarHBondContact O-N 3.09Å; Q926-F929 PolarHBondContact O-N 3.34Å; Q926-R930 VanDerWaalsContact O-CB 3.25Å; Q926-R930 WeakPolarHBondContact O-CB 3.23Å; Q926-R930 PolarHBondContact O-N 3.3Å
927R77.9Confident80.4Confident206 Ų20669 Ų6978%0.77736%0.362SS*.Hα-helixtrans-56.4-36.6179.1-90.7-176.4-170.5154.35.5113.6S923 E924 F925 F929S923-R927 PolarHBondContact O-N 3.3Å; S923-R927 VanDerWaalsContact O-N 3.17Å; E924-R927 PolarHBondContact O-N 2.86Å; F925-R927 PolarHBondContact O-N 3.48Å; R927-F929 VanDerWaalsContact C-N 3.35Å
928S74.1Confident80.6Confident80 Ų8071.1 Ų71.156%0.55938%0.38SS*.Hα-helixtrans-71.9-27.8-176.9-60.70000112.9E924 F925 Q926E924-S928 PolarHBondContact O-OG 3.23Å; F925-S928 PolarHBondContact O-N 3.25Å; Q926-S928 PolarHBondContact O-N 3.09Å
929F78.3Confident80.7Confident8 Ų874.7 Ų74.74%0.03540%0.403CS..Hα-helixtrans-115.2-19.7-172.4-89.8-95.1000115.8I888 C891 E892 Q926 R927 C931 K932 I933 W959I888-F929 HydrophobicContact CB-CE2 4.1Å; I888-F929 HydrophobicContact CB-CZ 3.74Å; I888-F929 HydrophobicContact CD1-CE2 3.59Å; I888-F929 HydrophobicContact CD1-CZ 3.94Å; I888-F929 HydrophobicContact CG1-CD2 4.19Å; I888-F929 HydrophobicContact CG1-CE2 3.26Å; I888-F929 HydrophobicContact CG1-CZ 3.45Å; I888-F929 VanDerWaalsContact CG1-CZ 3.45Å; I888-F929 HydrophobicContact CG2-CE1 4.14Å; I888-F929 HydrophobicContact CG2-CE2 4.15Å; I888-F929 HydrophobicContact CG2-CZ 3.38Å; C891-F929 HydrophobicContact CB-CD1 4.19Å; C891-F929 HydrophobicContact CB-CE1 4.37Å; E892-F929 HydrophobicContact CG-CE1 4.1Å; Q926-F929 PolarHBondContact O-N 3.34Å; R927-F929 VanDerWaalsContact C-N 3.35Å; F929-C931 VanDerWaalsContact C-N 3.34Å; F929-C931 PolarHBondContact O-N 3.09Å; F929-C931 VanDerWaalsContact O-N 3.17Å; F929-K932 HydrophobicContact CE1-CD 4.35Å; F929-K932 PolarHBondContact O-N 3.09Å; F929-I933 HydrophobicContact CB-CD1 3.87Å; F929-I933 HydrophobicContact CB-CG1 4.28Å; F929-I933 HydrophobicContact CD1-CD1 3.96Å; F929-I933 HydrophobicContact CD1-CG1 4.12Å; F929-I933 HydrophobicContact CG-CD1 4.3Å; F929-I933 PolarHBondContact O-N 2.98Å; F929-W959 HydrophobicContact CB-CE3 4.42Å; F929-W959 HydrophobicContact CB-CH2 3.76Å; F929-W959 HydrophobicContact CB-CZ3 3.47Å; F929-W959 VanDerWaalsContact CB-CZ3 3.47Å
930R84.8Confident81.1Confident143 Ų14369.5 Ų69.554%0.5438%0.376SS..Hα-helixtrans-44.5-54.5-174.9-177.1174.4-162.4-152.6-3.3113.5Q926 K932 V934 W959Q926-R930 VanDerWaalsContact O-CB 3.25Å; Q926-R930 WeakPolarHBondContact O-CB 3.23Å; Q926-R930 PolarHBondContact O-N 3.3Å; R930-K932 VanDerWaalsContact C-N 3.34Å; R930-K932 PolarHBondContact O-N 2.97Å; R930-V934 HydrophobicContact CG-CG2 4.32Å; R930-V934 VanDerWaalsContact O-CB 3.29Å; R930-V934 WeakPolarHBondContact O-CB 3.29Å; R930-V934 VanDerWaalsContact O-CG2 3.23Å; R930-V934 WeakPolarHBondContact O-CG2 3.17Å; R930-V934 PolarHBondContact O-N 3.47Å; R930-W959 VanDerWaalsContact CD-O 3.25Å; R930-W959 WeakPolarHBondContact CD-O 3.35Å; R930-W959 WeakPolarHBondContact CG-O 3.01Å; R930-W959 PolarHBondContact NE-O 3.28Å
931C84.4Confident81.6Confident101 Ų10171.3 Ų71.368%0.68238%0.379SS*.Hα-helixtrans-64-34.8-177.8-77.30000113.8F929 K935F929-C931 VanDerWaalsContact C-N 3.34Å; F929-C931 PolarHBondContact O-N 3.09Å; F929-C931 VanDerWaalsContact O-N 3.17Å; C931-K935 WeakPolarHBondContact O-CB 3.42Å; C931-K935 WeakPolarHBondContact O-CD 3.4Å; C931-K935 VanDerWaalsContact O-CG 3.23Å; C931-K935 WeakPolarHBondContact O-CG 3.42Å
932K84.7Confident82.3Confident124 Ų12474.8 Ų74.854%0.53941%0.408SS..Hα-helixtrans-74.5-49.5179-82.7-177170.5-176.50110.8E892 F929 R930 K935 A936E892-K932 IonicContact OE1-NZ 3.47Å; E892-K932 PolarHBondContact OE1-NZ 3.05Å; F929-K932 HydrophobicContact CE1-CD 4.35Å; F929-K932 PolarHBondContact O-N 3.09Å; R930-K932 VanDerWaalsContact C-N 3.34Å; R930-K932 PolarHBondContact O-N 2.97Å; K932-K935 PolarHBondContact O-N 3.43Å; K932-A936 PolarHBondContact O-N 3.48Å; K932-A936 VanDerWaalsContact O-N 3.09Å
933I86.8Confident83.3Confident3 Ų373.2 Ų73.22%0.01539%0.386CS..Hα-helixtrans-69.6-45.9-174.4-70.1-178.3000111.4C891 L914 F929 K935 A936 I937 W959C891-I933 HydrophobicContact CB-CD1 4.08Å; L914-I933 HydrophobicContact CD1-CG2 4.26Å; L914-I933 HydrophobicContact CD2-CD1 4.25Å; F929-I933 HydrophobicContact CB-CD1 3.87Å; F929-I933 HydrophobicContact CB-CG1 4.28Å; F929-I933 HydrophobicContact CD1-CD1 3.96Å; F929-I933 HydrophobicContact CD1-CG1 4.12Å; F929-I933 HydrophobicContact CG-CD1 4.3Å; F929-I933 PolarHBondContact O-N 2.98Å; I933-K935 VanDerWaalsContact C-N 3.29Å; I933-K935 PolarHBondContact O-N 3.5Å; I933-A936 PolarHBondContact O-N 3.12Å; I933-I937 HydrophobicContact CG2-CD1 3.47Å; I933-I937 VanDerWaalsContact CG2-CD1 3.47Å; I933-I937 HydrophobicContact CG2-CG1 4.17Å; I933-I937 WeakPolarHBondContact O-CG1 3.46Å; I933-I937 PolarHBondContact O-N 3.33Å; I933-W959 HydrophobicContact CB-CD2 4.36Å; I933-W959 HydrophobicContact CD1-CD2 4.22Å; I933-W959 HydrophobicContact CD1-CE3 4.35Å; I933-W959 HydrophobicContact CD1-CH2 3.45Å; I933-W959 VanDerWaalsContact CD1-CH2 3.45Å; I933-W959 HydrophobicContact CD1-CZ2 3.27Å; I933-W959 HydrophobicContact CD1-CZ3 3.99Å; I933-W959 HydrophobicContact CG2-CD2 4.09Å; I933-W959 HydrophobicContact CG2-CG 4.09Å
934V89.1Confident84Confident43 Ų4377.2 Ų77.226%0.26139%0.393SS..Hα-helixtrans-60.8-40.3178.1174.60000111.1R930 A936 I937 A938 W959R930-V934 HydrophobicContact CG-CG2 4.32Å; R930-V934 VanDerWaalsContact O-CB 3.29Å; R930-V934 WeakPolarHBondContact O-CB 3.29Å; R930-V934 VanDerWaalsContact O-CG2 3.23Å; R930-V934 WeakPolarHBondContact O-CG2 3.17Å; R930-V934 PolarHBondContact O-N 3.47Å; V934-A936 VanDerWaalsContact C-N 3.31Å; V934-A936 PolarHBondContact O-N 2.62Å; V934-I937 PolarHBondContact O-N 2.89Å; V934-A938 WeakPolarHBondContact O-CB 3.47Å; V934-A938 PolarHBondContact O-N 3.39Å; V934-W959 HydrophobicContact CG2-CB 3.9Å
935K88.7Confident84.8Confident167 Ų16776.1 Ų76.173%0.72639%0.386SS*.Hα-helixtrans-62.7-36.5174.3-81.5-177.4178.8-177.20112.8C931 K932 I933C931-K935 WeakPolarHBondContact O-CB 3.42Å; C931-K935 WeakPolarHBondContact O-CD 3.4Å; C931-K935 VanDerWaalsContact O-CG 3.23Å; C931-K935 WeakPolarHBondContact O-CG 3.42Å; K932-K935 PolarHBondContact O-N 3.43Å; I933-K935 VanDerWaalsContact C-N 3.29Å; I933-K935 PolarHBondContact O-N 3.5Å
936A86.5Confident85.4Confident33 Ų3384.6 Ų84.627%0.27342%0.418SS..Hα-helixtrans-74.1-33.8179.100000113.2V895 K932 I933 V934 P939V895-A936 HydrophobicContact CG1-CB 3.49Å; V895-A936 VanDerWaalsContact CG1-CB 3.49Å; V895-A936 HydrophobicContact CG2-CB 4.39Å; K932-A936 PolarHBondContact O-N 3.48Å; K932-A936 VanDerWaalsContact O-N 3.09Å; I933-A936 PolarHBondContact O-N 3.12Å; V934-A936 VanDerWaalsContact C-N 3.31Å; V934-A936 PolarHBondContact O-N 2.62Å; A936-P939 WeakPolarHBondContact O-CD 3.27Å
937I88.8Confident85.7Confident1 Ų187.1 Ų87.11%0.00543%0.433CS..Hα-helixtrans-81.6-29.6179.6-58.2169000111.8F911 L914 I933 V934 P939 F940 A952 A955 V956F911-I937 HydrophobicContact CD1-CD1 4.39Å; F911-I937 HydrophobicContact CD1-CG1 4.01Å; F911-I937 HydrophobicContact CD1-CG2 4.2Å; F911-I937 HydrophobicContact CE1-CB 4.41Å; F911-I937 HydrophobicContact CE1-CG1 3.94Å; F911-I937 HydrophobicContact CE1-CG2 4.09Å; F911-I937 HydrophobicContact CZ-CG2 4.43Å; L914-I937 HydrophobicContact CD1-CD1 4.04Å; L914-I937 HydrophobicContact CD1-CG1 4.32Å; I933-I937 HydrophobicContact CG2-CD1 3.47Å; I933-I937 VanDerWaalsContact CG2-CD1 3.47Å; I933-I937 HydrophobicContact CG2-CG1 4.17Å; I933-I937 WeakPolarHBondContact O-CG1 3.46Å; I933-I937 PolarHBondContact O-N 3.33Å; V934-I937 PolarHBondContact O-N 2.89Å; I937-P939 VanDerWaalsContact O-N 3.14Å; I937-F940 WeakPolarHBondContact O-CB 3.41Å; I937-F940 PolarHBondContact O-N 2.88Å; I937-A952 HydrophobicContact CG2-CB 3.7Å; I937-A955 HydrophobicContact CD1-CB 3.91Å; I937-V956 HydrophobicContact CB-CG2 3.93Å; I937-V956 HydrophobicContact CG2-CG2 3.59Å
938A89.6Confident86.2Confident46 Ų4677.3 Ų77.338%0.3840%0.396SS..G310 helixtrans-48.9-41.6-174.200000115.7V934 F940 L941V934-A938 WeakPolarHBondContact O-CB 3.47Å; V934-A938 PolarHBondContact O-N 3.39Å; A938-F940 PolarHBondContact O-N 3.23Å; A938-L941 PolarHBondContact O-N 3.03Å
939P88.7Confident87Confident75 Ų7578 Ų7849%0.48739%0.386SS..G310 helixtrans-60.8-23.1176.3-23.535.1000114.3A936 I937 S942A936-P939 WeakPolarHBondContact O-CD 3.27Å; I937-P939 VanDerWaalsContact O-N 3.14Å; P939-S942 PolarHBondContact O-OG 3.5Å
940F89.8Confident87.5Confident17 Ų1782.3 Ų82.38%0.07541%0.406CS..G310 helixtrans-88.5-9.8-176.1-63.2-89.7000113.9C898 F911 I937 A938 S942 H943 V948 A952C898-F940 HydrophobicContact CB-CE1 4.37Å; C898-F940 HydrophobicContact CB-CE2 4.1Å; C898-F940 HydrophobicContact CB-CZ 3.71Å; F911-F940 HydrophobicContact CE1-CD2 4.36Å; F911-F940 HydrophobicContact CE2-CB 3.72Å; F911-F940 HydrophobicContact CE2-CD1 4.19Å; F911-F940 HydrophobicContact CE2-CD2 4.48Å; F911-F940 AromaticContact CE2-CG 3.89Å; F911-F940 HydrophobicContact CE2-CG 3.89Å; F911-F940 HydrophobicContact CZ-CB 3.66Å; F911-F940 AromaticContact CZ-CD1 3.91Å; F911-F940 HydrophobicContact CZ-CD1 3.91Å; F911-F940 AromaticContact CZ-CD2 3.6Å; F911-F940 HydrophobicContact CZ-CD2 3.6Å; F911-F940 HydrophobicContact CZ-CE1 4.47Å; F911-F940 HydrophobicContact CZ-CE2 4.19Å; F911-F940 AromaticContact CZ-CG 3.44Å; F911-F940 HydrophobicContact CZ-CG 3.44Å; F911-F940 VanDerWaalsContact CZ-CG 3.44Å; I937-F940 WeakPolarHBondContact O-CB 3.41Å; I937-F940 PolarHBondContact O-N 2.88Å; A938-F940 PolarHBondContact O-N 3.23Å; F940-S942 PolarHBondContact O-N 3.48Å; F940-H943 WeakPolarHBondContact O-CB 3.17Å; F940-H943 PolarHBondContact O-N 3.2Å; F940-H943 VanDerWaalsContact O-N 3.12Å; F940-V948 HydrophobicContact CB-CG1 4.33Å; F940-V948 HydrophobicContact CD1-CG1 4.19Å; F940-A952 HydrophobicContact CB-CB 4.08Å
941L89.2Confident87.7Confident77 Ų7775.8 Ų75.840%0.40338%0.383SS..G310 helixtrans-63.2-27.5173.3-66.4173.2000112.2A938 R949 A952 A953 V956A938-L941 PolarHBondContact O-N 3.03Å; L941-R949 WeakPolarHBondContact O-CD 3.48Å; L941-R949 WeakPolarHBondContact O-CG 3.46Å; L941-A952 HydrophobicContact CD2-CB 4.04Å; L941-A953 HydrophobicContact CD2-CB 4.12Å; L941-V956 HydrophobicContact CD2-CG2 4.34Å
942S88Confident88.1Confident102 Ų10271 Ų7171%0.71335%0.351SS*.G310 helixtrans-101.512.6175.752.70000113.6P939 F940P939-S942 PolarHBondContact O-OG 3.5Å; F940-S942 PolarHBondContact O-N 3.48Å
943H88.5Confident88.4Confident22 Ų2266.8 Ų66.810%0.10234%0.339CS..  trans-60.8147.8-176.9-175.6-96.5000113F940 K945 V948 R949F940-H943 WeakPolarHBondContact O-CB 3.17Å; F940-H943 PolarHBondContact O-N 3.2Å; F940-H943 VanDerWaalsContact O-N 3.12Å; H943-K945 PolarHBondContact ND1-N 2.67Å; H943-K945 VanDerWaalsContact ND1-N 3.14Å; H943-K945 PolarHBondContact O-N 3.36Å; H943-V948 HydrophobicContact CB-CB 4.23Å; H943-V948 HydrophobicContact CB-CG1 3.9Å; H943-V948 WeakPolarHBondContact ND1-CB 3.35Å; H943-R949 HydrophobicContact CB-CG 4.24Å; H943-R949 WeakPolarHBondContact O-CD 3.39Å; H943-R949 WeakPolarHBondContact O-CG 3.39Å; H943-R949 PolarHBondContact O-NH1 3.08Å
944K86Confident88.6Confident163 Ų16370.3 Ų70.371%0.70936%0.356SS*.SBendtrans-60.1-33.9-175.665.1-168.5173.3-1680115.3R949K944-R949 VanDerWaalsContact C-NH1 3.28Å; K944-R949 PolarHBondContact O-NH1 2.91Å
945K85.2Confident88.7Confident120 Ų12068.2 Ų68.252%0.52234%0.343SS..SBendtrans-91.7129-179.4-63.2-69.9-173.5172.10111.6A904 H943 L947 V948 R949A904-K945 HydrophobicContact CB-CB 4.25Å; A904-K945 HydrophobicContact CB-CG 3.97Å; H943-K945 PolarHBondContact ND1-N 2.67Å; H943-K945 VanDerWaalsContact ND1-N 3.14Å; H943-K945 PolarHBondContact O-N 3.36Å; K945-L947 VanDerWaalsContact C-N 3.32Å; K945-L947 PolarHBondContact O-N 3.15Å; K945-V948 HydrophobicContact CB-CG2 4.14Å; K945-V948 PolarHBondContact O-N 3.46Å; K945-R949 PolarHBondContact O-N 3.13Å
946R86.5Confident88.8Confident190 Ų19061.7 Ų61.772%0.71732%0.317SS*.Hα-helixtrans-54.3-44.1179.9-179.4-179.9176.1178.8-0.3113.3V948 R949 Q950R946-V948 VanDerWaalsContact C-N 3.27Å; R946-V948 PolarHBondContact O-N 3.16Å; R946-R949 PolarHBondContact O-N 3.47Å; R946-R949 VanDerWaalsContact O-N 3.15Å; R946-Q950 PolarHBondContact O-N 3.17Å
947L84.8Confident88.9Confident109 Ų10966.7 Ų66.757%0.57134%0.339SS*.Hα-helixtrans-58.1-40.7-177-137.3150.3000111.7S908 K945 A951S908-L947 VanDerWaalsContact OG-CD2 3.25Å; S908-L947 WeakPolarHBondContact OG-CD2 3.36Å; K945-L947 VanDerWaalsContact C-N 3.32Å; K945-L947 PolarHBondContact O-N 3.15Å; L947-A951 PolarHBondContact O-N 3.08Å; L947-A951 VanDerWaalsContact O-N 3.15Å
948V87.4Confident88.8Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-69.5-43.2176.7-177.10000111.6A904 C907 F911 F940 H943 K945 R946 Q950 A951 A952A904-V948 HydrophobicContact CB-CG2 3.72Å; A904-V948 WeakPolarHBondContact O-CG2 3.4Å; C907-V948 HydrophobicContact CB-CG1 3.98Å; C907-V948 HydrophobicContact CB-CG2 4.3Å; F911-V948 HydrophobicContact CD2-CG1 4.45Å; F911-V948 HydrophobicContact CE2-CG1 3.81Å; F940-V948 HydrophobicContact CB-CG1 4.33Å; F940-V948 HydrophobicContact CD1-CG1 4.19Å; H943-V948 HydrophobicContact CB-CB 4.23Å; H943-V948 HydrophobicContact CB-CG1 3.9Å; H943-V948 WeakPolarHBondContact ND1-CB 3.35Å; K945-V948 HydrophobicContact CB-CG2 4.14Å; K945-V948 PolarHBondContact O-N 3.46Å; R946-V948 VanDerWaalsContact C-N 3.27Å; R946-V948 PolarHBondContact O-N 3.16Å; V948-Q950 VanDerWaalsContact C-N 3.3Å; V948-Q950 PolarHBondContact O-N 3.06Å; V948-A951 PolarHBondContact O-N 2.95Å; V948-A952 VanDerWaalsContact O-CB 3.24Å; V948-A952 WeakPolarHBondContact O-CB 3.24Å; V948-A952 PolarHBondContact O-N 3.42Å
949R90.9Very high88.6Confident93 Ų9366.4 Ų66.435%0.35133%0.333SS..Hα-helixtrans-61.1-40.8178-65.6-169.1-65-96.35.6111.8L941 H943 K944 K945 R946 A953L941-R949 WeakPolarHBondContact O-CD 3.48Å; L941-R949 WeakPolarHBondContact O-CG 3.46Å; H943-R949 HydrophobicContact CB-CG 4.24Å; H943-R949 WeakPolarHBondContact O-CD 3.39Å; H943-R949 WeakPolarHBondContact O-CG 3.39Å; H943-R949 PolarHBondContact O-NH1 3.08Å; K944-R949 VanDerWaalsContact C-NH1 3.28Å; K944-R949 PolarHBondContact O-NH1 2.91Å; K945-R949 PolarHBondContact O-N 3.13Å; R946-R949 PolarHBondContact O-N 3.47Å; R946-R949 VanDerWaalsContact O-N 3.15Å; R949-A953 WeakPolarHBondContact O-CB 3.45Å; R949-A953 PolarHBondContact O-N 3.2Å
950Q89.6Confident88.6Confident99 Ų9966 Ų6646%0.46333%0.325SS..Hα-helixtrans-64.5-52.6178.5-179.4174.9-9.800111.1R946 V948 A952 A953 E954R946-Q950 PolarHBondContact O-N 3.17Å; V948-Q950 VanDerWaalsContact C-N 3.3Å; V948-Q950 PolarHBondContact O-N 3.06Å; Q950-A952 VanDerWaalsContact C-N 3.3Å; Q950-A952 PolarHBondContact O-N 3.17Å; Q950-A953 PolarHBondContact O-N 3.4Å; Q950-A953 VanDerWaalsContact O-N 3.16Å; Q950-E954 VanDerWaalsContact CG-OE1 3.22Å; Q950-E954 WeakPolarHBondContact CG-OE1 3.23Å; Q950-E954 PolarHBondContact NE2-OE1 3.08Å; Q950-E954 WeakPolarHBondContact O-CG 3.47Å; Q950-E954 PolarHBondContact O-N 3.14Å
951A89.2Confident88.6Confident7 Ų768.5 Ų68.56%0.05834%0.338CS..Hα-helixtrans-61.4-38.6178.600000112.3F911 L947 V948 E954 A955F911-A951 HydrophobicContact CB-CB 3.97Å; F911-A951 HydrophobicContact CD2-CB 4.27Å; L947-A951 PolarHBondContact O-N 3.08Å; L947-A951 VanDerWaalsContact O-N 3.15Å; V948-A951 PolarHBondContact O-N 2.95Å; A951-E954 PolarHBondContact O-N 2.9Å; A951-A955 WeakPolarHBondContact O-CB 3.4Å; A951-A955 PolarHBondContact O-N 3.37Å
952A91Very high88.5Confident0 Ų068.1 Ų68.10%034%0.335CS..Hα-helixtrans-63.5-42.7174.800000112.2F911 I937 F940 L941 V948 Q950 A955 V956F911-A952 HydrophobicContact CD2-CB 3.87Å; F911-A952 HydrophobicContact CE2-CB 3.93Å; I937-A952 HydrophobicContact CG2-CB 3.7Å; F940-A952 HydrophobicContact CB-CB 4.08Å; L941-A952 HydrophobicContact CD2-CB 4.04Å; V948-A952 VanDerWaalsContact O-CB 3.24Å; V948-A952 WeakPolarHBondContact O-CB 3.24Å; V948-A952 PolarHBondContact O-N 3.42Å; Q950-A952 VanDerWaalsContact C-N 3.3Å; Q950-A952 PolarHBondContact O-N 3.17Å; A952-A955 PolarHBondContact O-N 3.31Å; A952-V956 WeakPolarHBondContact O-CB 3.36Å; A952-V956 VanDerWaalsContact O-CG2 3.27Å; A952-V956 WeakPolarHBondContact O-CG2 3.42Å; A952-V956 PolarHBondContact O-N 2.61Å
953A91.6Very high88.6Confident36 Ų3666.1 Ų66.130%0.29831%0.312SS..Hα-helixtrans-66.1-42.617800000112.1L941 R949 Q950 V956 N957L941-A953 HydrophobicContact CD2-CB 4.12Å; R949-A953 WeakPolarHBondContact O-CB 3.45Å; R949-A953 PolarHBondContact O-N 3.2Å; Q950-A953 PolarHBondContact O-N 3.4Å; Q950-A953 VanDerWaalsContact O-N 3.16Å; A953-V956 PolarHBondContact O-N 2.76Å; A953-N957 WeakPolarHBondContact O-CB 3.45Å; A953-N957 VanDerWaalsContact O-CG 3.22Å; A953-N957 PolarHBondContact O-N 3.17Å; A953-N957 PolarHBondContact O-ND2 3.46Å
954E91.5Very high88.6Confident76 Ų7668.8 Ų68.836%0.35533%0.325SS..Hα-helixtrans-62.5-42.8176.3-73.9169.8-169.300111.8Q950 A951 N957 A958Q950-E954 VanDerWaalsContact CG-OE1 3.22Å; Q950-E954 WeakPolarHBondContact CG-OE1 3.23Å; Q950-E954 PolarHBondContact NE2-OE1 3.08Å; Q950-E954 WeakPolarHBondContact O-CG 3.47Å; Q950-E954 PolarHBondContact O-N 3.14Å; A951-E954 PolarHBondContact O-N 2.9Å; E954-N957 PolarHBondContact O-N 2.91Å; E954-A958 PolarHBondContact O-N 3.27Å
955A90.5Very high88.7Confident0 Ų062.5 Ų62.50%030%0.3CS..Hα-helixtrans-65.8-46.5175.100000112.1F911 Q915 I937 A951 A952 N957 A958 W959F911-A955 HydrophobicContact CB-CB 4.06Å; F911-A955 WeakPolarHBondContact O-CB 3.36Å; Q915-A955 HydrophobicContact CB-CB 4.23Å; I937-A955 HydrophobicContact CD1-CB 3.91Å; A951-A955 WeakPolarHBondContact O-CB 3.4Å; A951-A955 PolarHBondContact O-N 3.37Å; A952-A955 PolarHBondContact O-N 3.31Å; A955-N957 VanDerWaalsContact C-N 3.27Å; A955-N957 PolarHBondContact O-N 3.09Å; A955-A958 PolarHBondContact O-N 3.43Å; A955-A958 VanDerWaalsContact O-N 3.11Å; A955-W959 VanDerWaalsContact O-CD1 3.29Å; A955-W959 PolarHBondContact O-N 2.79Å
956V90.6Very high89Confident30 Ų3058.4 Ų58.418%0.18228%0.284CS..Hα-helixtrans-60.6-36.8177.5167.90000112I937 L941 A952 A953 A958 W959I937-V956 HydrophobicContact CB-CG2 3.93Å; I937-V956 HydrophobicContact CG2-CG2 3.59Å; L941-V956 HydrophobicContact CD2-CG2 4.34Å; A952-V956 WeakPolarHBondContact O-CB 3.36Å; A952-V956 VanDerWaalsContact O-CG2 3.27Å; A952-V956 WeakPolarHBondContact O-CG2 3.42Å; A952-V956 PolarHBondContact O-N 2.61Å; A953-V956 PolarHBondContact O-N 2.76Å; V956-A958 VanDerWaalsContact C-N 3.26Å; V956-A958 PolarHBondContact O-N 2.79Å; V956-W959 PolarHBondContact O-N 3.12Å
957N88.9Confident89.2Confident137 Ų13748.3 Ų48.373%0.73325%0.251SS*.Hα-helixtrans-69.4-25.1178-74.9-22.7000113.3A953 E954 A955A953-N957 WeakPolarHBondContact O-CB 3.45Å; A953-N957 VanDerWaalsContact O-CG 3.22Å; A953-N957 PolarHBondContact O-N 3.17Å; A953-N957 PolarHBondContact O-ND2 3.46Å; E954-N957 PolarHBondContact O-N 2.91Å; A955-N957 VanDerWaalsContact C-N 3.27Å; A955-N957 PolarHBondContact O-N 3.09Å
958A87.1Confident89.5Confident21 Ų2143.3 Ų43.317%0.17422%0.224CC..Hα-helixtrans-85.1-21.6-179.600000113Q915 S918 L919 E954 A955 V956Q915-A958 HydrophobicContact CG-CB 3.81Å; S918-A958 WeakPolarHBondContact OG-CB 3.34Å; S918-A958 PolarHBondContact OG-O 3Å; L919-A958 HydrophobicContact CD2-CB 4.44Å; L919-A958 HydrophobicContact CG-CB 4.5Å; E954-A958 PolarHBondContact O-N 3.27Å; A955-A958 PolarHBondContact O-N 3.43Å; A955-A958 VanDerWaalsContact O-N 3.11Å; V956-A958 VanDerWaalsContact C-N 3.26Å; V956-A958 PolarHBondContact O-N 2.79Å
959W85.9Confident89.7Confident20 Ų2047.2 Ų47.28%0.07624%0.244CC..  trans-96.50176.7-77.796.7000113.3L914 F925 F929 R930 I933 V934 A955 V956L914-W959 PolarHBondContact O-NE1 3.37Å; F925-W959 HydrophobicContact CD1-CH2 4.17Å; F925-W959 AromaticContact CE1-CH2 3.6Å; F925-W959 HydrophobicContact CE1-CH2 3.6Å; F925-W959 HydrophobicContact CE1-CZ2 4.33Å; F925-W959 HydrophobicContact CE1-CZ3 4.46Å; F925-W959 HydrophobicContact CZ-CH2 4.3Å; F929-W959 HydrophobicContact CB-CE3 4.42Å; F929-W959 HydrophobicContact CB-CH2 3.76Å; F929-W959 HydrophobicContact CB-CZ3 3.47Å; F929-W959 VanDerWaalsContact CB-CZ3 3.47Å; R930-W959 VanDerWaalsContact CD-O 3.25Å; R930-W959 WeakPolarHBondContact CD-O 3.35Å; R930-W959 WeakPolarHBondContact CG-O 3.01Å; R930-W959 PolarHBondContact NE-O 3.28Å; I933-W959 HydrophobicContact CB-CD2 4.36Å; I933-W959 HydrophobicContact CD1-CD2 4.22Å; I933-W959 HydrophobicContact CD1-CE3 4.35Å; I933-W959 HydrophobicContact CD1-CH2 3.45Å; I933-W959 VanDerWaalsContact CD1-CH2 3.45Å; I933-W959 HydrophobicContact CD1-CZ2 3.27Å; I933-W959 HydrophobicContact CD1-CZ3 3.99Å; I933-W959 HydrophobicContact CG2-CD2 4.09Å; I933-W959 HydrophobicContact CG2-CG 4.09Å; V934-W959 HydrophobicContact CG2-CB 3.9Å; A955-W959 VanDerWaalsContact O-CD1 3.29Å; A955-W959 PolarHBondContact O-N 2.79Å; V956-W959 PolarHBondContact O-N 3.12Å

Retrieved 959 of 959 residues in 474.4 ms (Link to these results)

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