A0A077Z1U5_TRITR Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A077Z1U5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M67.2Low78Confident204 Ų204110.1 Ų110.1100%1.00559%0.586SS**  0-520-67.6-153.7152.400112.1S3 N4 F5M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.36Å; M1-N4 PolarHBondContact O-N 3.2Å; M1-F5 PolarHBondContact O-N 3.47Å
2L68.1Low78.1Confident143 Ų143104.5 Ų104.575%0.74956%0.556SS**Hα-helixtrans-61.4-34.3178.4-156.872.2000113.8F5 L6L2-F5 PolarHBondContact O-N 3.37Å; L2-L6 VanDerWaalsContact O-CB 3.3Å; L2-L6 WeakPolarHBondContact O-CB 3.41Å; L2-L6 PolarHBondContact O-N 2.96Å
3S80.4Confident78.2Confident81 Ų81102.2 Ų102.257%0.56655%0.548SS*.Hα-helixtrans-62.2-45.1177.452.10000113.2M1 F5 L6 S7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.36Å; S3-F5 VanDerWaalsContact C-N 3.33Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-S7 WeakPolarHBondContact O-CB 3.22Å; S3-S7 PolarHBondContact O-N 2.85Å; S3-S7 PolarHBondContact O-OG 2.93Å; S3-S7 VanDerWaalsContact O-OG 3.07Å
4N78.8Confident78.5Confident109 Ų109100.7 Ų100.758%0.58355%0.548SS*.Hα-helixtrans-65.1-38.5176.1-69.2-8.9000111.3M1 S7 K8M1-N4 PolarHBondContact O-N 3.2Å; N4-S7 PolarHBondContact O-OG 2.93Å; N4-S7 VanDerWaalsContact O-OG 3.13Å; N4-K8 VanDerWaalsContact O-CB 3.27Å; N4-K8 WeakPolarHBondContact O-CB 3.41Å; N4-K8 WeakPolarHBondContact O-CD 3.41Å; N4-K8 WeakPolarHBondContact O-CG 3.4Å; N4-K8 PolarHBondContact O-N 3.45Å; N4-K8 VanDerWaalsContact O-N 3.13Å
5F78.3Confident78.4Confident123 Ų12396.9 Ų96.954%0.53954%0.541SS..Hα-helixtrans-67.8-43.2176.4-176.1-96.7000111.7M1 L2 S3 L9M1-F5 PolarHBondContact O-N 3.47Å; L2-F5 PolarHBondContact O-N 3.37Å; S3-F5 VanDerWaalsContact C-N 3.33Å; F5-L9 HydrophobicContact CE1-CD2 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3Å; F5-L9 PolarHBondContact O-N 3.22Å
6L80.5Confident78.4Confident99 Ų9992 Ų9252%0.51852%0.515SS..Hα-helixtrans-69.5-42.2-178.6-171.464.5000111.9L2 S3 L9 L10L2-L6 VanDerWaalsContact O-CB 3.3Å; L2-L6 WeakPolarHBondContact O-CB 3.41Å; L2-L6 PolarHBondContact O-N 2.96Å; S3-L6 PolarHBondContact O-N 3.29Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.75Å
7S83.3Confident78.7Confident61 Ų6193.3 Ų93.343%0.42752%0.519SS..Hα-helixtrans-63.7-44.5175.560.70000111.3S3 N4 L9 L10 T11S3-S7 WeakPolarHBondContact O-CB 3.22Å; S3-S7 PolarHBondContact O-N 2.85Å; S3-S7 PolarHBondContact O-OG 2.93Å; S3-S7 VanDerWaalsContact O-OG 3.07Å; N4-S7 PolarHBondContact O-OG 2.93Å; N4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L9 PolarHBondContact O-N 2.71Å; S7-L10 PolarHBondContact O-N 3.41Å; S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 3.37Å; S7-T11 PolarHBondContact O-OG1 3.2Å
8K78.2Confident78.8Confident97 Ų9796.3 Ų96.342%0.42252%0.523SS..Hα-helixtrans-55.9-50.6170.9-78.9177.2164.4-1590111.3N4 L10 T11 L12 E52N4-K8 VanDerWaalsContact O-CB 3.27Å; N4-K8 WeakPolarHBondContact O-CB 3.41Å; N4-K8 WeakPolarHBondContact O-CD 3.41Å; N4-K8 WeakPolarHBondContact O-CG 3.4Å; N4-K8 PolarHBondContact O-N 3.45Å; N4-K8 VanDerWaalsContact O-N 3.13Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.45Å; K8-T11 PolarHBondContact O-N 3.38Å; K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 2.83Å; K8-E52 WeakPolarHBondContact CD-OE1 3.31Å; K8-E52 WeakPolarHBondContact CE-OE1 3.28Å; K8-E52 IonicContact NZ-OE1 3.63Å; K8-E52 PolarHBondContact NZ-OE1 3.08Å
9L80.4Confident78.9Confident80 Ų8091.5 Ų91.542%0.41950%0.497SS..Hα-helixtrans-60.5-41.2179.6-174.665.4000111.8F5 L6 S7 L12 T13F5-L9 HydrophobicContact CE1-CD2 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3Å; F5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.91Å; S7-L9 PolarHBondContact O-N 2.71Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-T13 VanDerWaalsContact O-CB 3.24Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 PolarHBondContact O-N 2.67Å; L9-T13 PolarHBondContact O-OG1 3.46Å
10L81.7Confident79.1Confident111 Ų11188.8 Ų88.858%0.58149%0.487SS*.Hα-helixtrans-65.9-48.5177.4-130.686.2000111.4L6 S7 K8 L12 T13 C14L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.75Å; S7-L10 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.45Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 2.85Å; L10-T13 PolarHBondContact O-N 2.85Å; L10-C14 WeakPolarHBondContact O-CB 2.93Å; L10-C14 PolarHBondContact O-N 3.38Å; L10-C14 PolarHBondContact O-SG 3.17Å
11T81.4Confident79.3Confident103 Ų10392.2 Ų92.263%0.63249%0.494SS*.Hα-helixtrans-61.7-38.8176.7-59.80000111.2S7 K8 G15S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 3.37Å; S7-T11 PolarHBondContact O-OG1 3.2Å; K8-T11 PolarHBondContact O-N 3.38Å; T11-G15 WeakPolarHBondContact O-CA 3.12Å; T11-G15 PolarHBondContact O-N 2.86Å
12L78.9Confident79.8Confident43 Ų4388.1 Ų88.123%0.22547%0.467CS..Hα-helixtrans-69.5-38.9176.8-157.779.3000111.5K8 L9 L10 G15 T16 F45 L49K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 2.83Å; L9-L12 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 2.85Å; L12-G15 PolarHBondContact O-N 3.42Å; L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.21Å; L12-T16 PolarHBondContact O-OG1 2.8Å; L12-F45 HydrophobicContact CD1-CE2 3.53Å; L12-F45 HydrophobicContact CD1-CZ 3.91Å; L12-F45 HydrophobicContact CD2-CE1 4.41Å; L12-F45 HydrophobicContact CD2-CE2 3.95Å; L12-F45 HydrophobicContact CD2-CZ 3.42Å; L12-F45 VanDerWaalsContact CD2-CZ 3.42Å; L12-F45 HydrophobicContact CG-CE2 3.62Å; L12-F45 HydrophobicContact CG-CZ 3.46Å; L12-F45 VanDerWaalsContact CG-CZ 3.46Å; L12-L49 HydrophobicContact CD2-CD2 3.56Å; L12-L49 HydrophobicContact CD2-CG 4.37Å
13T79.7Confident80.5Confident75 Ų7582.1 Ų82.146%0.4644%0.438SS..Hα-helixtrans-67.6-46.2175.2-56.80000110.6L9 L10 G15 T16 L17L9-T13 VanDerWaalsContact O-CB 3.24Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 PolarHBondContact O-N 2.67Å; L9-T13 PolarHBondContact O-OG1 3.46Å; L10-T13 PolarHBondContact O-N 2.85Å; T13-G15 VanDerWaalsContact C-N 3.33Å; T13-G15 PolarHBondContact O-N 2.81Å; T13-T16 WeakPolarHBondContact CA-OG1 2.94Å; T13-T16 CarbonylContact O-C 3.45Å; T13-T16 PolarHBondContact O-N 3.24Å; T13-T16 PolarHBondContact O-OG1 3.35Å; T13-T16 VanDerWaalsContact O-OG1 3.06Å; T13-L17 VanDerWaalsContact O-CB 3.31Å; T13-L17 WeakPolarHBondContact O-CB 3.16Å; T13-L17 PolarHBondContact O-N 2.73Å
14C81.5Confident80.5Confident81 Ų8185.4 Ų85.455%0.54744%0.439SS..Hα-helixtrans-62.7-39.5173.4-73.10000111.9L10 L17L10-C14 WeakPolarHBondContact O-CB 2.93Å; L10-C14 PolarHBondContact O-N 3.38Å; L10-C14 PolarHBondContact O-SG 3.17Å; C14-L17 WeakPolarHBondContact O-CB 3.01Å; C14-L17 PolarHBondContact O-N 3.41Å
15G77.3Confident80.7Confident43 Ų4386.2 Ų86.244%0.44344%0.437SS..Hα-helixtrans-68.4-33.4176.400000113.2T11 L12 T13 P19T11-G15 WeakPolarHBondContact O-CA 3.12Å; T11-G15 PolarHBondContact O-N 2.86Å; L12-G15 PolarHBondContact O-N 3.42Å; T13-G15 VanDerWaalsContact C-N 3.33Å; T13-G15 PolarHBondContact O-N 2.81Å; G15-P19 WeakPolarHBondContact O-CD 3.36Å
16T79.3Confident80.8Confident19 Ų1980.5 Ų80.512%0.11741%0.412CS..Hα-helixtrans-85.2-15.1173.251.80000113.4L12 T13 Y18 P19 A20 W42 F45L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.21Å; L12-T16 PolarHBondContact O-OG1 2.8Å; T13-T16 WeakPolarHBondContact CA-OG1 2.94Å; T13-T16 CarbonylContact O-C 3.45Å; T13-T16 PolarHBondContact O-N 3.24Å; T13-T16 PolarHBondContact O-OG1 3.35Å; T13-T16 VanDerWaalsContact O-OG1 3.06Å; T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 3.11Å; T16-P19 VanDerWaalsContact CA-CG 3.49Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.38Å; T16-A20 WeakPolarHBondContact O-CB 2.99Å; T16-A20 PolarHBondContact O-N 2.92Å; T16-W42 HydrophobicContact CG2-CH2 4.39Å; T16-W42 HydrophobicContact CG2-CZ3 4.18Å; T16-F45 HydrophobicContact CG2-CD1 4.37Å; T16-F45 HydrophobicContact CG2-CD2 4.06Å; T16-F45 HydrophobicContact CG2-CE1 3.79Å; T16-F45 HydrophobicContact CG2-CE2 3.4Å; T16-F45 VanDerWaalsContact CG2-CE2 3.4Å; T16-F45 HydrophobicContact CG2-CG 4.48Å; T16-F45 HydrophobicContact CG2-CZ 3.25Å
17L83.6Confident80.8Confident114 Ų11480 Ų8060%0.59741%0.413SS*.Hα-helixtrans-63.4-40.7177.6-16864.9000111.2T13 C14 A20 Y21T13-L17 VanDerWaalsContact O-CB 3.31Å; T13-L17 WeakPolarHBondContact O-CB 3.16Å; T13-L17 PolarHBondContact O-N 2.73Å; C14-L17 WeakPolarHBondContact O-CB 3.01Å; C14-L17 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 3.46Å; L17-Y21 PolarHBondContact O-N 3.33Å
18Y79.8Confident80.7Confident148 Ų14886.4 Ų86.458%0.5843%0.428SS*.Hα-helixtrans-60.9-54.8175.5-173.6-92.2000113.2T16 A20 Y21 R22T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 3.11Å; Y18-A20 VanDerWaalsContact C-N 3.29Å; Y18-A20 PolarHBondContact O-N 3.22Å; Y18-Y21 PolarHBondContact O-N 2.64Å; Y18-R22 HydrophobicContact CE1-CG 4.27Å; Y18-R22 PolarHBondContact O-N 3.44Å; Y18-R22 VanDerWaalsContact O-N 3.12Å
19P79.9Confident80.8Confident5 Ų584.8 Ų84.83%0.03243%0.429CS..Hα-helixtrans-67.1-27.4175.328.9-36.8000112.7G15 T16 R22 S23 W38 Y41G15-P19 WeakPolarHBondContact O-CD 3.36Å; T16-P19 VanDerWaalsContact CA-CG 3.49Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.38Å; P19-R22 PolarHBondContact O-N 2.87Å; P19-S23 VanDerWaalsContact O-CB 3.23Å; P19-S23 WeakPolarHBondContact O-CB 3.02Å; P19-S23 PolarHBondContact O-N 3.42Å; P19-S23 PolarHBondContact O-OG 2.65Å; P19-W38 HydrophobicContact CB-CE3 3.75Å; P19-W38 HydrophobicContact CB-CH2 3.91Å; P19-W38 HydrophobicContact CB-CZ3 3.18Å; P19-Y41 HydrophobicContact CB-CD1 4.23Å; P19-Y41 HydrophobicContact CB-CE1 3.93Å; P19-Y41 HydrophobicContact CG-CE1 3.8Å
20A83.2Confident80.7Confident37 Ų3789.9 Ų89.931%0.30645%0.447SS..Hα-helixtrans-64.1-45172.300000111.8T16 L17 Y18 R22 S23 Y24 W42T16-A20 WeakPolarHBondContact O-CB 2.99Å; T16-A20 PolarHBondContact O-N 2.92Å; L17-A20 PolarHBondContact O-N 3.46Å; Y18-A20 VanDerWaalsContact C-N 3.29Å; Y18-A20 PolarHBondContact O-N 3.22Å; A20-R22 PolarHBondContact O-N 3.5Å; A20-S23 WeakPolarHBondContact O-CB 3.33Å; A20-S23 PolarHBondContact O-N 2.83Å; A20-Y24 PolarHBondContact O-N 3.36Å; A20-W42 HydrophobicContact CB-CH2 4.35Å; A20-W42 HydrophobicContact CB-CZ2 4.13Å
21Y83.5Confident80.7Confident160 Ų16087.4 Ų87.463%0.62744%0.435SS*.Hα-helixtrans-63-42.4175.4-177.9-105.6000112.2L17 Y18 Y24 K25L17-Y21 PolarHBondContact O-N 3.33Å; Y18-Y21 PolarHBondContact O-N 2.64Å; Y21-Y24 WeakPolarHBondContact O-CB 3.46Å; Y21-Y24 PolarHBondContact O-N 3.3Å; Y21-K25 PolarHBondContact O-N 2.93Å; Y21-K25 VanDerWaalsContact O-N 3.07Å
22R78.4Confident80.7Confident118 Ų11887.6 Ų87.645%0.44544%0.436SS..Hα-helixtrans-66.4-38.4174.4-76.4-75.2-164168.42.1112.7Y18 P19 A20 Y24 K25 A26 W38Y18-R22 HydrophobicContact CE1-CG 4.27Å; Y18-R22 PolarHBondContact O-N 3.44Å; Y18-R22 VanDerWaalsContact O-N 3.12Å; P19-R22 PolarHBondContact O-N 2.87Å; A20-R22 PolarHBondContact O-N 3.5Å; R22-Y24 VanDerWaalsContact C-N 3.34Å; R22-K25 PolarHBondContact O-N 3.4Å; R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.15Å; R22-W38 HydrophobicContact CB-CD2 4.44Å; R22-W38 HydrophobicContact CB-CH2 3.76Å; R22-W38 HydrophobicContact CB-CZ2 3.14Å; R22-W38 HydrophobicContact CG-CH2 4.15Å; R22-W38 HydrophobicContact CG-CZ2 3.68Å
23S81.8Confident81Confident18 Ų1895.1 Ų95.113%0.12646%0.461CS..Hα-helixtrans-60.7-44.3174.6-61.80000110.6P19 A20 K25 A26 V27 W42P19-S23 VanDerWaalsContact O-CB 3.23Å; P19-S23 WeakPolarHBondContact O-CB 3.02Å; P19-S23 PolarHBondContact O-N 3.42Å; P19-S23 PolarHBondContact O-OG 2.65Å; A20-S23 WeakPolarHBondContact O-CB 3.33Å; A20-S23 PolarHBondContact O-N 2.83Å; S23-K25 PolarHBondContact O-N 3.29Å; S23-A26 PolarHBondContact O-N 2.76Å; S23-V27 WeakPolarHBondContact O-CG2 3.22Å; S23-V27 PolarHBondContact O-N 3.48Å; S23-W42 PolarHBondContact OG-NE1 2.75Å
24Y81.5Confident81.2Confident149 Ų14995.5 Ų95.558%0.58446%0.457SS*.Hα-helixtrans-58.5-45.8174.2174.9-105.4000112A20 Y21 R22 A26 V27 R28A20-Y24 PolarHBondContact O-N 3.36Å; Y21-Y24 WeakPolarHBondContact O-CB 3.46Å; Y21-Y24 PolarHBondContact O-N 3.3Å; R22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-A26 VanDerWaalsContact C-N 3.35Å; Y24-A26 PolarHBondContact O-N 3.46Å; Y24-V27 PolarHBondContact O-N 3.45Å; Y24-R28 PolarHBondContact O-N 3.06Å; Y24-R28 VanDerWaalsContact O-N 3.11Å
25K82.5Confident81.4Confident127 Ų12796.9 Ų96.955%0.55245%0.452SS*.Hα-helixtrans-64.8-37.5176.8-165.4172.2-177.7177.60112.3Y21 R22 S23 R28 S29Y21-K25 PolarHBondContact O-N 2.93Å; Y21-K25 VanDerWaalsContact O-N 3.07Å; R22-K25 PolarHBondContact O-N 3.4Å; S23-K25 PolarHBondContact O-N 3.29Å; K25-R28 PolarHBondContact O-N 2.71Å; K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.48Å
26A81.1Confident81.7Confident2 Ų299 Ų992%0.01746%0.456CS..Hα-helixtrans-64.6-41.2176.800000112.3R22 S23 Y24 S29 K30 E34R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.15Å; S23-A26 PolarHBondContact O-N 2.76Å; Y24-A26 VanDerWaalsContact C-N 3.35Å; Y24-A26 PolarHBondContact O-N 3.46Å; A26-S29 PolarHBondContact O-N 3.14Å; A26-K30 PolarHBondContact O-N 2.79Å; A26-E34 HydrophobicContact CB-CB 3.9Å
27V79.6Confident81.9Confident88 Ų88104.7 Ų104.753%0.53348%0.479SS..Hα-helixtrans-62.2-45.7174.9173.30000110.6S23 Y24 S29 K30 Y35S23-V27 WeakPolarHBondContact O-CG2 3.22Å; S23-V27 PolarHBondContact O-N 3.48Å; Y24-V27 PolarHBondContact O-N 3.45Å; V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 PolarHBondContact O-N 2.75Å; V27-K30 PolarHBondContact O-N 2.78Å; V27-Y35 HydrophobicContact CG2-CD2 4.02Å; V27-Y35 HydrophobicContact CG2-CE2 4.19Å
28R81.4Confident82Confident197 Ų197102.1 Ų102.174%0.74346%0.462SS*.Hα-helixtrans-64.6-36.1177.9-172.3175.4177.5158.60112.6Y24 K25 K30Y24-R28 PolarHBondContact O-N 3.06Å; Y24-R28 VanDerWaalsContact O-N 3.11Å; K25-R28 PolarHBondContact O-N 2.71Å; R28-K30 PolarHBondContact O-N 3.32Å
29S79.8Confident82.2Confident62 Ų6298.6 Ų98.643%0.43445%0.452SS..THydrogen-bonded Turntrans-74.3-6.8178.8-166.10000113.8K25 A26 V27 N31K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.48Å; A26-S29 PolarHBondContact O-N 3.14Å; V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 PolarHBondContact O-N 2.75Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 PolarHBondContact OG-ND2 3.07Å
30K78.8Confident82.3Confident187 Ų187103.3 Ų103.381%0.81347%0.474SS*.THydrogen-bonded Turntrans51.422.8-173.4-60.1-176.1178.8179.90114A26 V27 R28 V32A26-K30 PolarHBondContact O-N 2.79Å; V27-K30 PolarHBondContact O-N 2.78Å; R28-K30 PolarHBondContact O-N 3.32Å; K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.11Å
31N81.5Confident82.2Confident60 Ų60106.2 Ų106.232%0.32148%0.478SS..  trans-8094.8179.5-76.6-31.4000109.8S29 R33 E34 Y35S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 PolarHBondContact OG-ND2 3.07Å; N31-R33 PolarHBondContact O-N 2.7Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 HydrophobicContact CB-CG 3.93Å; N31-E34 WeakPolarHBondContact CB-OE2 3.49Å; N31-E34 PolarHBondContact ND2-OE2 3.28Å; N31-E34 PolarHBondContact O-N 3.25Å; N31-Y35 PolarHBondContact O-N 3.09Å
32V82.7Confident82.4Confident106 Ų106102.4 Ų102.464%0.64246%0.463SS*.Hα-helixtrans-52.8-41.4179.7-177.30000111.8K30 E34 Y35 V36K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.11Å; V32-E34 PolarHBondContact O-N 2.96Å; V32-Y35 PolarHBondContact O-N 3.49Å; V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 2.71Å
33R83.8Confident82.6Confident202 Ų20299 Ų9976%0.76245%0.452SS*.Hα-helixtrans-63.4-37.9179.5-67.7-167.9-63.5-94.10.4113.6N31 K37N31-R33 PolarHBondContact O-N 2.7Å; R33-K37 VanDerWaalsContact O-CG 3.31Å; R33-K37 WeakPolarHBondContact O-CG 3.28Å; R33-K37 PolarHBondContact O-N 3.47Å
34E83.5Confident82.6Confident82 Ų8299.6 Ų99.638%0.38346%0.456SS..Hα-helixtrans-73.8-42.1177.7-66.7-176.9155.200110.3A26 N31 V32 V36 K37 W38A26-E34 HydrophobicContact CB-CB 3.9Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 HydrophobicContact CB-CG 3.93Å; N31-E34 WeakPolarHBondContact CB-OE2 3.49Å; N31-E34 PolarHBondContact ND2-OE2 3.28Å; N31-E34 PolarHBondContact O-N 3.25Å; V32-E34 PolarHBondContact O-N 2.96Å; E34-V36 PolarHBondContact O-N 3.34Å; E34-K37 PolarHBondContact O-N 3.08Å; E34-W38 PolarHBondContact O-N 3.44Å
35Y85.6Confident82.5Confident110 Ų11094.1 Ų94.143%0.43144%0.435SS..Hα-helixtrans-56.5-47174.6178.6-98.3000112.1V27 N31 V32 K37 W38 M39V27-Y35 HydrophobicContact CG2-CD2 4.02Å; V27-Y35 HydrophobicContact CG2-CE2 4.19Å; N31-Y35 PolarHBondContact O-N 3.09Å; V32-Y35 PolarHBondContact O-N 3.49Å; Y35-K37 PolarHBondContact O-N 3.05Å; Y35-W38 PolarHBondContact O-N 3.41Å; Y35-M39 HydrophobicContact CE1-CE 3.91Å; Y35-M39 HydrophobicContact CE2-CE 3.94Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 2.9Å; Y35-M39 WeakPolarHBondContact OH-CE 3.31Å
36V84.6Confident82.6Confident87 Ų8790.2 Ų90.253%0.52743%0.426SS..Hα-helixtrans-61.5-41.8177.6171.10000111.6V32 E34 W38 M39 M40V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 2.71Å; E34-V36 PolarHBondContact O-N 3.34Å; V36-W38 PolarHBondContact O-N 2.87Å; V36-M39 PolarHBondContact O-N 2.89Å; V36-M40 WeakPolarHBondContact O-CB 3.44Å; V36-M40 PolarHBondContact O-N 3.19Å
37K82.7Confident82.6Confident139 Ų13992 Ų9260%0.60444%0.436SS*.Hα-helixtrans-62.1-43.1176.4-72.4171.8-173.1175.30111.9R33 E34 Y35 Y41R33-K37 VanDerWaalsContact O-CG 3.31Å; R33-K37 WeakPolarHBondContact O-CG 3.28Å; R33-K37 PolarHBondContact O-N 3.47Å; E34-K37 PolarHBondContact O-N 3.08Å; Y35-K37 PolarHBondContact O-N 3.05Å; K37-Y41 PolarHBondContact O-N 3.33Å; K37-Y41 VanDerWaalsContact O-N 3.08Å
38W85.7Confident82.6Confident60 Ų6090.1 Ų90.123%0.22742%0.42CS..Hα-helixtrans-67.5-43.2176.6-73.7116.9000111.7P19 R22 E34 Y35 V36 M40 Y41 W42P19-W38 HydrophobicContact CB-CE3 3.75Å; P19-W38 HydrophobicContact CB-CH2 3.91Å; P19-W38 HydrophobicContact CB-CZ3 3.18Å; R22-W38 HydrophobicContact CB-CD2 4.44Å; R22-W38 HydrophobicContact CB-CH2 3.76Å; R22-W38 HydrophobicContact CB-CZ2 3.14Å; R22-W38 HydrophobicContact CG-CH2 4.15Å; R22-W38 HydrophobicContact CG-CZ2 3.68Å; E34-W38 PolarHBondContact O-N 3.44Å; Y35-W38 PolarHBondContact O-N 3.41Å; V36-W38 PolarHBondContact O-N 2.87Å; W38-M40 VanDerWaalsContact C-N 3.3Å; W38-M40 PolarHBondContact O-N 3.3Å; W38-Y41 WeakPolarHBondContact O-CA 3.29Å; W38-Y41 WeakPolarHBondContact O-CB 3.3Å; W38-Y41 PolarHBondContact O-N 2.97Å; W38-Y41 VanDerWaalsContact O-N 3.08Å; W38-W42 PolarHBondContact O-N 2.86Å
39M84.5Confident82.7Confident75 Ų7583.6 Ų83.637%0.36940%0.4SS..Hα-helixtrans-60.7-41.3176.7-167.461.673.500111.6Y35 V36 Y41 W42 I43Y35-M39 HydrophobicContact CE1-CE 3.91Å; Y35-M39 HydrophobicContact CE2-CE 3.94Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 2.9Å; Y35-M39 WeakPolarHBondContact OH-CE 3.31Å; V36-M39 PolarHBondContact O-N 2.89Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 3.28Å; M39-W42 PolarHBondContact O-N 3Å; M39-I43 HydrophobicContact CG-CD1 4.17Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.1Å; M39-I43 PolarHBondContact O-N 3.25Å
40M83Confident82.7Confident103 Ų10385.7 Ų85.751%0.50741%0.406SS..Hα-helixtrans-60.2-42.8173.5-171.7-177.473.200111.5V36 W38 I43 V44V36-M40 WeakPolarHBondContact O-CB 3.44Å; V36-M40 PolarHBondContact O-N 3.19Å; W38-M40 VanDerWaalsContact C-N 3.3Å; W38-M40 PolarHBondContact O-N 3.3Å; M40-I43 PolarHBondContact O-N 3.35Å; M40-V44 VanDerWaalsContact O-CG2 3.29Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 2.91Å
41Y81.3Confident82.8Confident99 Ų9978.5 Ų78.539%0.38838%0.376SS..Hα-helixtrans-60.9-44.8174.5178.6-92.8000111.9P19 K37 W38 M39 I43 V44 F45P19-Y41 HydrophobicContact CB-CD1 4.23Å; P19-Y41 HydrophobicContact CB-CE1 3.93Å; P19-Y41 HydrophobicContact CG-CE1 3.8Å; K37-Y41 PolarHBondContact O-N 3.33Å; K37-Y41 VanDerWaalsContact O-N 3.08Å; W38-Y41 WeakPolarHBondContact O-CA 3.29Å; W38-Y41 WeakPolarHBondContact O-CB 3.3Å; W38-Y41 PolarHBondContact O-N 2.97Å; W38-Y41 VanDerWaalsContact O-N 3.08Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 3.28Å; Y41-I43 PolarHBondContact O-N 3.33Å; Y41-V44 PolarHBondContact O-N 3.34Å; Y41-F45 VanDerWaalsContact O-CB 3.26Å; Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 3.47Å
42W86.6Confident82.6Confident80 Ų8077.7 Ų77.730%0.30337%0.37SS..Hα-helixtrans-62.2-40.6177.3-74.1112.7000112.9T16 A20 S23 W38 M39 F45 A46T16-W42 HydrophobicContact CG2-CH2 4.39Å; T16-W42 HydrophobicContact CG2-CZ3 4.18Å; A20-W42 HydrophobicContact CB-CH2 4.35Å; A20-W42 HydrophobicContact CB-CZ2 4.13Å; S23-W42 PolarHBondContact OG-NE1 2.75Å; W38-W42 PolarHBondContact O-N 2.86Å; M39-W42 PolarHBondContact O-N 3Å; W42-F45 HydrophobicContact CE3-CD1 4.25Å; W42-F45 HydrophobicContact CZ3-CD1 4.39Å; W42-F45 PolarHBondContact O-N 2.69Å; W42-A46 WeakPolarHBondContact O-CB 3.05Å; W42-A46 PolarHBondContact O-N 3.3Å
43I83.5Confident82.5Confident45 Ų4576.5 Ų76.523%0.23136%0.363CS..Hα-helixtrans-65.4-45176.8-64.5161.2000110.6M39 M40 Y41 F45 A46 L47 Y89 V93M39-I43 HydrophobicContact CG-CD1 4.17Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.1Å; M39-I43 PolarHBondContact O-N 3.25Å; M40-I43 PolarHBondContact O-N 3.35Å; Y41-I43 PolarHBondContact O-N 3.33Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 2.75Å; I43-A46 PolarHBondContact O-N 3.48Å; I43-L47 HydrophobicContact CG2-CD1 4.08Å; I43-L47 WeakPolarHBondContact O-CD1 3.13Å; I43-L47 WeakPolarHBondContact O-CG 3.26Å; I43-L47 PolarHBondContact O-N 3.37Å; I43-Y89 HydrophobicContact CD1-CE2 4.45Å; I43-Y89 HydrophobicContact CG2-CD2 4.34Å; I43-Y89 HydrophobicContact CG2-CE2 3.93Å; I43-V93 HydrophobicContact CG2-CG1 4.05Å
44V80.1Confident82.3Confident32 Ų3270.1 Ų70.119%0.19435%0.346CS..Hα-helixtrans-61.5-41.5175.7172.70000110.9M40 Y41 L47 F48 P80 A85M40-V44 VanDerWaalsContact O-CG2 3.29Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 2.91Å; Y41-V44 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 3.5Å; V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.5Å; V44-P80 HydrophobicContact CG1-CB 3.73Å; V44-P80 HydrophobicContact CG1-CG 4.09Å; V44-A85 HydrophobicContact CG1-CB 4.19Å
45F81.1Confident82Confident33 Ų3366.8 Ų66.815%0.14533%0.333CS..Hα-helixtrans-63.4-41176178-95.4000112.6L12 T16 Y41 W42 I43 L47 F48 L49L12-F45 HydrophobicContact CD1-CE2 3.53Å; L12-F45 HydrophobicContact CD1-CZ 3.91Å; L12-F45 HydrophobicContact CD2-CE1 4.41Å; L12-F45 HydrophobicContact CD2-CE2 3.95Å; L12-F45 HydrophobicContact CD2-CZ 3.42Å; L12-F45 VanDerWaalsContact CD2-CZ 3.42Å; L12-F45 HydrophobicContact CG-CE2 3.62Å; L12-F45 HydrophobicContact CG-CZ 3.46Å; L12-F45 VanDerWaalsContact CG-CZ 3.46Å; T16-F45 HydrophobicContact CG2-CD1 4.37Å; T16-F45 HydrophobicContact CG2-CD2 4.06Å; T16-F45 HydrophobicContact CG2-CE1 3.79Å; T16-F45 HydrophobicContact CG2-CE2 3.4Å; T16-F45 VanDerWaalsContact CG2-CE2 3.4Å; T16-F45 HydrophobicContact CG2-CG 4.48Å; T16-F45 HydrophobicContact CG2-CZ 3.25Å; Y41-F45 VanDerWaalsContact O-CB 3.26Å; Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 3.47Å; W42-F45 HydrophobicContact CE3-CD1 4.25Å; W42-F45 HydrophobicContact CZ3-CD1 4.39Å; W42-F45 PolarHBondContact O-N 2.69Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 2.75Å; F45-L47 PolarHBondContact O-N 2.71Å; F45-F48 WeakPolarHBondContact O-CB 3.39Å; F45-F48 PolarHBondContact O-N 3.01Å; F45-L49 HydrophobicContact CD1-CD1 4.14Å; F45-L49 HydrophobicContact CE1-CD1 3.59Å; F45-L49 HydrophobicContact CE1-CG 4.22Å; F45-L49 HydrophobicContact CZ-CD1 4.12Å; F45-L49 HydrophobicContact CZ-CG 4.41Å; F45-L49 PolarHBondContact O-N 3.41Å
46A83.6Confident81.6Confident45 Ų4565.1 Ų65.137%0.37233%0.332SS..Hα-helixtrans-65-38.3175.300000112.4W42 I43 L49 N50W42-A46 WeakPolarHBondContact O-CB 3.05Å; W42-A46 PolarHBondContact O-N 3.3Å; I43-A46 PolarHBondContact O-N 3.48Å; A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 PolarHBondContact O-N 3.18Å; A46-N50 PolarHBondContact O-N 2.87Å; A46-N50 PolarHBondContact O-ND2 3.03Å
47L81.4Confident81.1Confident41 Ų4165.9 Ų65.922%0.21533%0.332CS..Hα-helixtrans-67.3-41.2174.3-68.8160.6000111.5I43 V44 F45 L49 N50 I51 V93I43-L47 HydrophobicContact CG2-CD1 4.08Å; I43-L47 WeakPolarHBondContact O-CD1 3.13Å; I43-L47 WeakPolarHBondContact O-CG 3.26Å; I43-L47 PolarHBondContact O-N 3.37Å; V44-L47 PolarHBondContact O-N 3.5Å; F45-L47 PolarHBondContact O-N 2.71Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.84Å; L47-N50 WeakPolarHBondContact O-CB 3.19Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-N50 VanDerWaalsContact O-N 3.08Å; L47-I51 VanDerWaalsContact O-CD1 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 2.94Å; L47-V93 HydrophobicContact CD1-CB 4.17Å; L47-V93 HydrophobicContact CD1-CG1 3.88Å; L47-V93 HydrophobicContact CD1-CG2 3.16Å; L47-V93 HydrophobicContact CD2-CG2 4.05Å; L47-V93 HydrophobicContact CG-CG2 4.23Å
48F80.3Confident80.6Confident48 Ų4865.9 Ų65.921%0.21133%0.332CS..Hα-helixtrans-56-45.8174173.7-98.9000111.2V44 F45 N50 I51 E52 I78V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.5Å; F45-F48 WeakPolarHBondContact O-CB 3.39Å; F45-F48 PolarHBondContact O-N 3.01Å; F48-N50 VanDerWaalsContact C-N 3.35Å; F48-N50 PolarHBondContact O-N 3.35Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-E52 PolarHBondContact O-N 3.45Å; F48-I78 HydrophobicContact CD2-CG1 4.23Å; F48-I78 HydrophobicContact CE2-CB 4.24Å; F48-I78 HydrophobicContact CE2-CD1 3.53Å; F48-I78 HydrophobicContact CE2-CG1 3.64Å; F48-I78 HydrophobicContact CZ-CD1 3.71Å; F48-I78 HydrophobicContact CZ-CG1 4.25Å
49L82.1Confident79.7Confident60 Ų6068.5 Ų68.531%0.31435%0.35SS..Hα-helixtrans-59.3-42.4173.4-78.3176.8000112.8L12 F45 A46 L47 I51 E52 V53L12-L49 HydrophobicContact CD2-CD2 3.56Å; L12-L49 HydrophobicContact CD2-CG 4.37Å; F45-L49 HydrophobicContact CD1-CD1 4.14Å; F45-L49 HydrophobicContact CE1-CD1 3.59Å; F45-L49 HydrophobicContact CE1-CG 4.22Å; F45-L49 HydrophobicContact CZ-CD1 4.12Å; F45-L49 HydrophobicContact CZ-CG 4.41Å; F45-L49 PolarHBondContact O-N 3.41Å; A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 PolarHBondContact O-N 3.18Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.84Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-I51 PolarHBondContact O-N 3.39Å; L49-E52 PolarHBondContact O-N 3.27Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.08Å
50N81.2Confident78.9Confident105 Ų10568.1 Ų68.156%0.56137%0.365SS*.Hα-helixtrans-61.4-43.1175.6-84-89.1000111.5A46 L47 F48 E52 V53 V54A46-N50 PolarHBondContact O-N 2.87Å; A46-N50 PolarHBondContact O-ND2 3.03Å; L47-N50 WeakPolarHBondContact O-CB 3.19Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-N50 VanDerWaalsContact O-N 3.08Å; F48-N50 VanDerWaalsContact C-N 3.35Å; F48-N50 PolarHBondContact O-N 3.35Å; N50-E52 VanDerWaalsContact C-N 3.33Å; N50-V53 PolarHBondContact O-N 2.84Å; N50-V54 VanDerWaalsContact O-CB 3.28Å; N50-V54 WeakPolarHBondContact O-CB 3.42Å; N50-V54 WeakPolarHBondContact O-CG2 3.37Å; N50-V54 PolarHBondContact O-N 3.33Å
51I79.3Confident78Confident37 Ų3768.9 Ų68.919%0.1937%0.37CS..Hα-helixtrans-66-38177.6-65.7149.7000110.9L47 F48 L49 V54 A55 V74 L77L47-I51 VanDerWaalsContact O-CD1 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 2.94Å; F48-I51 PolarHBondContact O-N 3.47Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-I51 PolarHBondContact O-N 3.39Å; I51-V54 PolarHBondContact O-N 3.32Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.49Å; I51-V74 HydrophobicContact CG2-CG2 4.21Å; I51-L77 HydrophobicContact CD1-CD2 3.16Å; I51-L77 HydrophobicContact CD1-CG 4.45Å; I51-L77 HydrophobicContact CG1-CD2 4.2Å
52E78.9Confident77.2Confident42 Ų4275.1 Ų75.120%0.19639%0.394CS..Hα-helixtrans-61.5-46.1174.5-175.9170.5-164.100111.2K8 F48 L49 N50 A55 D56K8-E52 WeakPolarHBondContact CD-OE1 3.31Å; K8-E52 WeakPolarHBondContact CE-OE1 3.28Å; K8-E52 IonicContact NZ-OE1 3.63Å; K8-E52 PolarHBondContact NZ-OE1 3.08Å; F48-E52 PolarHBondContact O-N 3.45Å; L49-E52 PolarHBondContact O-N 3.27Å; N50-E52 VanDerWaalsContact C-N 3.33Å; E52-A55 CarbonylContact O-C 3.59Å; E52-A55 WeakPolarHBondContact O-CB 3.19Å; E52-A55 PolarHBondContact O-N 2.84Å; E52-D56 PolarHBondContact O-N 3.3Å
53V79.7Confident76.2Confident81 Ų8176.4 Ų76.449%0.49141%0.406SS..Hα-helixtrans-64.9-45.6177171.80000111.5L49 N50 A55 D56 I57L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.08Å; N50-V53 PolarHBondContact O-N 2.84Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 2.83Å; V53-D56 PolarHBondContact O-N 3.4Å; V53-D56 VanDerWaalsContact O-N 3.15Å; V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 VanDerWaalsContact O-CG1 3.31Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.13Å
54V80.2Confident75.3Confident68 Ų6880 Ų8041%0.41243%0.432SS..Hα-helixtrans-59.8-43.3176.3168.10000109.7N50 I51 I57 F58N50-V54 VanDerWaalsContact O-CB 3.28Å; N50-V54 WeakPolarHBondContact O-CB 3.42Å; N50-V54 WeakPolarHBondContact O-CG2 3.37Å; N50-V54 PolarHBondContact O-N 3.33Å; I51-V54 PolarHBondContact O-N 3.32Å; V54-I57 PolarHBondContact O-N 3.3Å; V54-F58 HydrophobicContact CG1-CD2 3.39Å; V54-F58 HydrophobicContact CG1-CE2 3.2Å; V54-F58 HydrophobicContact CG1-CZ 4.44Å; V54-F58 WeakPolarHBondContact O-CB 3.33Å; V54-F58 WeakPolarHBondContact O-CD2 3.29Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.04Å
55A75.9Confident74.7Confident13 Ų1386.3 Ų86.311%0.10746%0.457CS..Hα-helixtrans-58.9-48.6172.900000111.4I51 E52 V53 I57 F58 L59 K70I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.49Å; E52-A55 CarbonylContact O-C 3.59Å; E52-A55 WeakPolarHBondContact O-CB 3.19Å; E52-A55 PolarHBondContact O-N 2.84Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 2.83Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.87Å; A55-F58 PolarHBondContact O-N 2.94Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.13Å; A55-K70 PolarHBondContact O-NZ 2.9Å
56D77.4Confident73.9Confident75 Ų7592 Ų9240%0.40148%0.479SS..Hα-helixtrans-60.5-41.5179.6-75.7-14.8000112E52 V53 L59 G60E52-D56 PolarHBondContact O-N 3.3Å; V53-D56 PolarHBondContact O-N 3.4Å; V53-D56 VanDerWaalsContact O-N 3.15Å; D56-L59 PolarHBondContact O-N 2.78Å; D56-G60 PolarHBondContact O-N 3.38Å
57I73.9Confident72.8Confident102 Ų10296.9 Ų96.952%0.52349%0.488SS..Hα-helixtrans-64.4-45.4175.1-64.3162.9000110.7V53 V54 A55 L59 G60 L61V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 VanDerWaalsContact O-CG1 3.31Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.13Å; V54-I57 PolarHBondContact O-N 3.3Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.87Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.32Å; I57-G60 PolarHBondContact O-N 3.07Å; I57-L61 HydrophobicContact CG2-CD1 4.21Å
58F72.9Confident72.6Confident140 Ų14099.9 Ų99.961%0.61450%0.501SS*.Hα-helixtrans-66.3-31.6177.6-79.9-62.2000113.3V54 A55 G60 L61V54-F58 HydrophobicContact CG1-CD2 3.39Å; V54-F58 HydrophobicContact CG1-CE2 3.2Å; V54-F58 HydrophobicContact CG1-CZ 4.44Å; V54-F58 WeakPolarHBondContact O-CB 3.33Å; V54-F58 WeakPolarHBondContact O-CD2 3.29Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.04Å; A55-F58 PolarHBondContact O-N 2.94Å; F58-G60 PolarHBondContact O-N 2.73Å; F58-L61 PolarHBondContact O-N 3.42Å
59L66.3Low72.3Confident114 Ų114101.2 Ų101.260%0.59752%0.516SS*.Hα-helixtrans-61.1-32.1174.2-72.9176.4000111.6A55 D56 I57 K70A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.13Å; D56-L59 PolarHBondContact O-N 2.78Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.32Å; L59-K70 VanDerWaalsContact CD2-NZ 3.31Å; L59-K70 VanDerWaalsContact CG-NZ 3.3Å
60G67.9Low71.7Confident67 Ų67100.4 Ų100.469%0.69151%0.51SS*.THydrogen-bonded Turntrans-75.7-18.9-176.900000114.8D56 I57 F58D56-G60 PolarHBondContact O-N 3.38Å; I57-G60 PolarHBondContact O-N 3.07Å; F58-G60 PolarHBondContact O-N 2.73Å
61L64.8Low71.3Confident119 Ų11997.9 Ų97.962%0.62350%0.496SS*.THydrogen-bonded Turntrans-103.6-38.3-158.3-73169.7000117.8I57 F58I57-L61 HydrophobicContact CG2-CD1 4.21Å; F58-L61 PolarHBondContact O-N 3.42Å
62W64.4Low71.3Confident231 Ų231101.8 Ų101.888%0.87551%0.514SS*.SBendtrans-154.8-39.8-161.2-145.5-97.2000124.9
63L65Low71.1Confident107 Ų107104.9 Ų104.956%0.5653%0.528SS*.  trans-153.5141.4-169.4-98.3161.8000117Y66L63-Y66 HydrophobicContact CB-CD2 3.6Å; L63-Y66 HydrophobicContact CB-CE2 3.73Å; L63-Y66 HydrophobicContact CD1-CE2 4Å
64P64.7Low70.6Confident119 Ų119103 Ų10377%0.77352%0.516SS*.THydrogen-bonded Turntrans-84.3-12.3-171.931.5-34.8000118.6Y66P64-Y66 VanDerWaalsContact C-N 3.3Å
65F68.3Low70.4Confident165 Ų165104.1 Ų104.172%0.72452%0.519SS*.THydrogen-bonded Turntrans-81.2-10.3174.7-169.7-107000113.2Y67F65-Y67 VanDerWaalsContact C-N 3.28Å; F65-Y67 PolarHBondContact O-N 2.88Å
66Y62.9Low70.3Confident154 Ų154111.3 Ų111.360%0.60454%0.544SS*.Hα-helixtrans-71.6-21-177.1-82.6-85.6000113.6L63 P64 E68 K70L63-Y66 HydrophobicContact CB-CD2 3.6Å; L63-Y66 HydrophobicContact CB-CE2 3.73Å; L63-Y66 HydrophobicContact CD1-CE2 4Å; P64-Y66 VanDerWaalsContact C-N 3.3Å; Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.47Å; Y66-K70 WeakPolarHBondContact O-CB 3.17Å; Y66-K70 PolarHBondContact O-N 2.87Å
67Y61.3Low69.9Low147 Ų147108.7 Ų108.758%0.57653%0.53SS*.Hα-helixtrans-53.2-47.9-176.3-176.7-101000111.6F65 K70 I71F65-Y67 VanDerWaalsContact C-N 3.28Å; F65-Y67 PolarHBondContact O-N 2.88Å; Y67-K70 PolarHBondContact O-N 2.9Å; Y67-I71 HydrophobicContact CD2-CG2 4.48Å; Y67-I71 HydrophobicContact CE1-CD1 4.2Å; Y67-I71 HydrophobicContact CE1-CG2 4.27Å; Y67-I71 HydrophobicContact CE2-CG2 4.16Å; Y67-I71 WeakPolarHBondContact O-CG1 3.38Å; Y67-I71 WeakPolarHBondContact O-CG2 3.41Å; Y67-I71 PolarHBondContact O-N 3.36Å
68E78Confident69.5Low103 Ų103108 Ų10848%0.48153%0.526SS..Hα-helixtrans-69.2-53.9-176.3-66.1-58.2149.800113.3Y66 K70 I71 M72Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.47Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-I71 VanDerWaalsContact O-CG1 3.22Å; E68-I71 WeakPolarHBondContact O-CG1 2.79Å; E68-I71 PolarHBondContact O-N 3.29Å; E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 2.73Å
69C72.6Confident69.2Low77 Ų77103.3 Ų103.352%0.5251%0.51SS..Hα-helixtrans-60.8-32.2178.2-62.70000111.6F73C69-F73 WeakPolarHBondContact O-CB 3.5Å; C69-F73 PolarHBondContact O-N 3.49Å
70K70.3Confident68.8Low43 Ų4399.8 Ų99.819%0.18750%0.495CS..Hα-helixtrans-75.9-47179.4-179.9179.2179.6169.70112.6A55 L59 Y66 Y67 E68 M72 F73 V74A55-K70 PolarHBondContact O-NZ 2.9Å; L59-K70 VanDerWaalsContact CD2-NZ 3.31Å; L59-K70 VanDerWaalsContact CG-NZ 3.3Å; Y66-K70 WeakPolarHBondContact O-CB 3.17Å; Y66-K70 PolarHBondContact O-N 2.87Å; Y67-K70 PolarHBondContact O-N 2.9Å; E68-K70 PolarHBondContact O-N 3.48Å; K70-M72 PolarHBondContact O-N 2.89Å; K70-F73 PolarHBondContact O-N 3.36Å; K70-F73 VanDerWaalsContact O-N 3.17Å; K70-V74 HydrophobicContact CG-CG2 4.24Å; K70-V74 WeakPolarHBondContact O-CB 3.43Å; K70-V74 VanDerWaalsContact O-CG2 3.3Å; K70-V74 WeakPolarHBondContact O-CG2 2.95Å; K70-V74 PolarHBondContact O-N 3.23Å
71I73.3Confident68.3Low51 Ų51107.1 Ų107.126%0.26250%0.503SS..Hα-helixtrans-61.5-34.5173.863.1170.2000109.8Y67 E68 L75Y67-I71 HydrophobicContact CD2-CG2 4.48Å; Y67-I71 HydrophobicContact CE1-CD1 4.2Å; Y67-I71 HydrophobicContact CE1-CG2 4.27Å; Y67-I71 HydrophobicContact CE2-CG2 4.16Å; Y67-I71 WeakPolarHBondContact O-CG1 3.38Å; Y67-I71 WeakPolarHBondContact O-CG2 3.41Å; Y67-I71 PolarHBondContact O-N 3.36Å; E68-I71 VanDerWaalsContact O-CG1 3.22Å; E68-I71 WeakPolarHBondContact O-CG1 2.79Å; E68-I71 PolarHBondContact O-N 3.29Å; I71-L75 HydrophobicContact CB-CD1 4.35Å; I71-L75 WeakPolarHBondContact O-CA 3.05Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 WeakPolarHBondContact O-CD1 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; I71-L75 PolarHBondContact O-N 3.43Å
72M77.8Confident68Low119 Ų119105.3 Ų105.359%0.58650%0.497SS*.Hα-helixtrans-65.5-42.7174.7-77-65.8163.300111.8E68 K70 W76E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 2.73Å; K70-M72 PolarHBondContact O-N 2.89Å; M72-W76 WeakPolarHBondContact O-CB 3.26Å; M72-W76 PolarHBondContact O-N 3.4Å
73F74.6Confident68Low108 Ų108104.5 Ų104.547%0.47449%0.494SS..Hα-helixtrans-66.5-49175.8-165.8-105.4000111.3C69 K70 L75 W76 L77C69-F73 WeakPolarHBondContact O-CB 3.5Å; C69-F73 PolarHBondContact O-N 3.49Å; K70-F73 PolarHBondContact O-N 3.36Å; K70-F73 VanDerWaalsContact O-N 3.17Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.8Å; F73-W76 HydrophobicContact CD2-CE3 4.45Å; F73-W76 PolarHBondContact O-N 3.24Å; F73-L77 HydrophobicContact CD1-CD1 3.61Å; F73-L77 HydrophobicContact CD2-CD1 3.96Å; F73-L77 HydrophobicContact CE1-CD1 3.48Å; F73-L77 VanDerWaalsContact CE1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD2 4.2Å; F73-L77 HydrophobicContact CE2-CD1 3.84Å; F73-L77 HydrophobicContact CG-CD1 3.85Å; F73-L77 HydrophobicContact CZ-CD1 3.6Å; F73-L77 WeakPolarHBondContact O-CB 3.2Å; F73-L77 WeakPolarHBondContact O-CD1 3.48Å; F73-L77 PolarHBondContact O-N 2.97Å
74V71.1Confident68.2Low40 Ų40100 Ų10024%0.24247%0.473CS..Hα-helixtrans-62.3-39.5176.5175.20000111I51 K70 L77 I78I51-V74 HydrophobicContact CG2-CG2 4.21Å; K70-V74 HydrophobicContact CG-CG2 4.24Å; K70-V74 WeakPolarHBondContact O-CB 3.43Å; K70-V74 VanDerWaalsContact O-CG2 3.3Å; K70-V74 WeakPolarHBondContact O-CG2 2.95Å; K70-V74 PolarHBondContact O-N 3.23Å; V74-L77 CarbonylContact O-C 3.52Å; V74-L77 PolarHBondContact O-N 3.22Å; V74-I78 WeakPolarHBondContact O-CA 3.42Å; V74-I78 VanDerWaalsContact O-CB 3.25Å; V74-I78 WeakPolarHBondContact O-CB 3.37Å; V74-I78 PolarHBondContact O-N 2.66Å
75L74.5Confident68.4Low93 Ų9394.7 Ų94.749%0.48744%0.44SS..Hα-helixtrans-68.1-39175.4-82.6160.6000111.5I71 F73 L77 I78 S79I71-L75 HydrophobicContact CB-CD1 4.35Å; I71-L75 WeakPolarHBondContact O-CA 3.05Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 WeakPolarHBondContact O-CD1 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; I71-L75 PolarHBondContact O-N 3.43Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.8Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.28Å; L75-I78 HydrophobicContact CD2-CG2 3.95Å; L75-I78 CarbonylContact O-C 3.6Å; L75-I78 PolarHBondContact O-N 2.77Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.09Å; L75-S79 PolarHBondContact O-N 3.23Å
76W75.2Confident68.4Low163 Ų16389.9 Ų89.962%0.61743%0.426SS*.Hα-helixtrans-64.4-37.6174.2-173.314.1000110.8M72 F73 S79M72-W76 WeakPolarHBondContact O-CB 3.26Å; M72-W76 PolarHBondContact O-N 3.4Å; F73-W76 HydrophobicContact CD2-CE3 4.45Å; F73-W76 PolarHBondContact O-N 3.24Å; W76-S79 CarbonylContact O-C 3.58Å
77L67.1Low69Low20 Ų2089.2 Ų89.211%0.10543%0.427CS..Hα-helixtrans-77.6-31.7174.3-8388.1000113.7I51 F73 V74 L75 P80 L88I51-L77 HydrophobicContact CD1-CD2 3.16Å; I51-L77 HydrophobicContact CD1-CG 4.45Å; I51-L77 HydrophobicContact CG1-CD2 4.2Å; F73-L77 HydrophobicContact CD1-CD1 3.61Å; F73-L77 HydrophobicContact CD2-CD1 3.96Å; F73-L77 HydrophobicContact CE1-CD1 3.48Å; F73-L77 VanDerWaalsContact CE1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD2 4.2Å; F73-L77 HydrophobicContact CE2-CD1 3.84Å; F73-L77 HydrophobicContact CG-CD1 3.85Å; F73-L77 HydrophobicContact CZ-CD1 3.6Å; F73-L77 WeakPolarHBondContact O-CB 3.2Å; F73-L77 WeakPolarHBondContact O-CD1 3.48Å; F73-L77 PolarHBondContact O-N 2.97Å; V74-L77 CarbonylContact O-C 3.52Å; V74-L77 PolarHBondContact O-N 3.22Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.28Å; L77-P80 VanDerWaalsContact O-CB 3.32Å; L77-P80 WeakPolarHBondContact O-CB 3.45Å; L77-P80 WeakPolarHBondContact O-CD 3.26Å; L77-P80 VanDerWaalsContact O-N 3.1Å; L77-L88 HydrophobicContact CD2-CD2 3.45Å; L77-L88 VanDerWaalsContact CD2-CD2 3.45Å; L77-L88 HydrophobicContact CG-CD2 4.25Å
78I65.5Low69.7Low89 Ų8983.9 Ų83.946%0.45641%0.408SS..Hα-helixtrans-81.2-8.1173.7-143.7172.5000112.4F48 V74 L75 P80F48-I78 HydrophobicContact CD2-CG1 4.23Å; F48-I78 HydrophobicContact CE2-CB 4.24Å; F48-I78 HydrophobicContact CE2-CD1 3.53Å; F48-I78 HydrophobicContact CE2-CG1 3.64Å; F48-I78 HydrophobicContact CZ-CD1 3.71Å; F48-I78 HydrophobicContact CZ-CG1 4.25Å; V74-I78 WeakPolarHBondContact O-CA 3.42Å; V74-I78 VanDerWaalsContact O-CB 3.25Å; V74-I78 WeakPolarHBondContact O-CB 3.37Å; V74-I78 PolarHBondContact O-N 2.66Å; L75-I78 HydrophobicContact CD2-CG2 3.95Å; L75-I78 CarbonylContact O-C 3.6Å; L75-I78 PolarHBondContact O-N 2.77Å; I78-P80 VanDerWaalsContact C-N 3.31Å; I78-P80 VanDerWaalsContact CA-CD 3.47Å; I78-P80 WeakPolarHBondContact O-CD 3.3Å
79S68Low69.4Low40 Ų4082.2 Ų82.228%0.2840%0.398SS..  trans-91.749.8152.3-157.50000110.4L75 W76 Y81 T82L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.09Å; L75-S79 PolarHBondContact O-N 3.23Å; W76-S79 CarbonylContact O-C 3.58Å; S79-Y81 PolarHBondContact O-N 3.42Å; S79-Y81 VanDerWaalsContact O-N 3.14Å; S79-T82 PolarHBondContact O-N 2.73Å; S79-T82 PolarHBondContact O-OG1 2.79Å; S79-T82 PolarHBondContact OG-OG1 3.06Å
80P57.9Low69.5Low41 Ų4188.1 Ų88.127%0.26641%0.409SS..THydrogen-bonded Turntrans-66.4-17.1173.437.3-35.6000110V44 L77 I78 T82 A85V44-P80 HydrophobicContact CG1-CB 3.73Å; V44-P80 HydrophobicContact CG1-CG 4.09Å; L77-P80 VanDerWaalsContact O-CB 3.32Å; L77-P80 WeakPolarHBondContact O-CB 3.45Å; L77-P80 WeakPolarHBondContact O-CD 3.26Å; L77-P80 VanDerWaalsContact O-N 3.1Å; I78-P80 VanDerWaalsContact C-N 3.31Å; I78-P80 VanDerWaalsContact CA-CD 3.47Å; I78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 3.46Å; P80-A85 HydrophobicContact CB-CB 3.01Å; P80-A85 HydrophobicContact CG-CB 4.49Å
81Y57Low69.8Low221 Ų22192.6 Ų92.687%0.86743%0.429SS*.THydrogen-bonded Turntrans-62.8-33.7173.4-170.6-106.6000111.9S79S79-Y81 PolarHBondContact O-N 3.42Å; S79-Y81 VanDerWaalsContact O-N 3.14Å
82T58.9Low70Confident80 Ų8096.5 Ų96.549%0.49144%0.444SS..THydrogen-bonded Turntrans-103.175.9-179.5630000112.7S79 P80 G84S79-T82 PolarHBondContact O-N 2.73Å; S79-T82 PolarHBondContact O-OG1 2.79Å; S79-T82 PolarHBondContact OG-OG1 3.06Å; P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 3.46Å; T82-G84 PolarHBondContact O-N 3.31Å
83R64.9Low69.9Low214 Ų21491 Ų9181%0.80842%0.417SS*.THydrogen-bonded Turntrans57.7-21.6171.2-60.9-174.1175.492.4-1.1117.6S86 F87R83-S86 PolarHBondContact O-N 2.8Å; R83-F87 WeakPolarHBondContact O-CB 3.27Å; R83-F87 PolarHBondContact O-N 3.41Å
84G68.7Low70Confident12 Ų1290.7 Ų90.712%0.12442%0.417CS..Hα-helixtrans-64.5-50.2-175.700000111.9T82 S86 F87 L88T82-G84 PolarHBondContact O-N 3.31Å; G84-S86 PolarHBondContact O-N 2.85Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.43Å; G84-L88 PolarHBondContact O-N 3.27Å
85A67.5Low70.4Confident9 Ų991.7 Ų91.77%0.07442%0.424CS..Hα-helixtrans-72.2-28.3174.900000113.8V44 P80 F87 L88 Y89V44-A85 HydrophobicContact CG1-CB 4.19Å; P80-A85 HydrophobicContact CB-CB 3.01Å; P80-A85 HydrophobicContact CG-CB 4.49Å; A85-F87 VanDerWaalsContact C-N 3.26Å; A85-F87 PolarHBondContact O-N 2.77Å; A85-L88 PolarHBondContact O-N 3.47Å; A85-Y89 WeakPolarHBondContact O-CA 3.46Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 PolarHBondContact O-N 2.71Å
86S69.7Low70.5Confident64 Ų6491.4 Ų91.445%0.44842%0.423SS..Hα-helixtrans-62.3-38.6170.5-60.20000111.1R83 G84 R90R83-S86 PolarHBondContact O-N 2.8Å; G84-S86 PolarHBondContact O-N 2.85Å; S86-R90 WeakPolarHBondContact O-CG 3.48Å; S86-R90 PolarHBondContact O-N 2.89Å; S86-R90 VanDerWaalsContact O-N 3.11Å
87F74.9Confident70.7Confident140 Ų14087.1 Ų87.161%0.61441%0.411SS*.Hα-helixtrans-68.6-47.7174.6-174.8-97.5000111.6R83 G84 A85 Y89 R90 K91R83-F87 WeakPolarHBondContact O-CB 3.27Å; R83-F87 PolarHBondContact O-N 3.41Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.43Å; A85-F87 VanDerWaalsContact C-N 3.26Å; A85-F87 PolarHBondContact O-N 2.77Å; F87-Y89 VanDerWaalsContact C-N 3.26Å; F87-Y89 PolarHBondContact O-N 2.97Å; F87-R90 PolarHBondContact O-N 3.18Å; F87-K91 HydrophobicContact CE1-CB 4.31Å; F87-K91 HydrophobicContact CE1-CG 4.39Å; F87-K91 VanDerWaalsContact O-CB 3.22Å; F87-K91 WeakPolarHBondContact O-CB 3.06Å; F87-K91 PolarHBondContact O-N 3.43Å
88L76Confident71.3Confident34 Ų3489.8 Ų89.818%0.17843%0.429CS..Hα-helixtrans-58.5-40.7175-168.378000111.3L77 G84 A85 K91 F92 V93L77-L88 HydrophobicContact CD2-CD2 3.45Å; L77-L88 VanDerWaalsContact CD2-CD2 3.45Å; L77-L88 HydrophobicContact CG-CD2 4.25Å; G84-L88 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 3.47Å; L88-K91 PolarHBondContact O-N 3.01Å; L88-F92 HydrophobicContact CD1-CB 4.24Å; L88-F92 HydrophobicContact CD1-CD2 3.52Å; L88-F92 HydrophobicContact CD1-CE2 4.13Å; L88-F92 HydrophobicContact CD1-CG 4.09Å; L88-F92 HydrophobicContact CG-CB 4.45Å; L88-F92 HydrophobicContact CG-CD2 4.41Å; L88-F92 WeakPolarHBondContact O-CA 3.08Å; L88-F92 WeakPolarHBondContact O-CB 3.49Å; L88-F92 PolarHBondContact O-N 2.71Å; L88-V93 PolarHBondContact O-N 3.44Å; L88-V93 VanDerWaalsContact O-N 3.09Å
89Y71.1Confident72.1Confident68 Ų6894.7 Ų94.727%0.26744%0.441SS..Iπ-helixtrans-60.7-50.6177.4-174.8-89.7000110.7I43 A85 F87 K91 V93 H94I43-Y89 HydrophobicContact CD1-CE2 4.45Å; I43-Y89 HydrophobicContact CG2-CD2 4.34Å; I43-Y89 HydrophobicContact CG2-CE2 3.93Å; A85-Y89 WeakPolarHBondContact O-CA 3.46Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 PolarHBondContact O-N 2.71Å; F87-Y89 VanDerWaalsContact C-N 3.26Å; F87-Y89 PolarHBondContact O-N 2.97Å; Y89-K91 PolarHBondContact O-N 2.78Å; Y89-V93 HydrophobicContact CD2-CB 3.78Å; Y89-V93 HydrophobicContact CD2-CG1 3.6Å; Y89-V93 HydrophobicContact CD2-CG2 4.23Å; Y89-V93 HydrophobicContact CE2-CB 4.27Å; Y89-V93 HydrophobicContact CE2-CG1 3.67Å; Y89-V93 HydrophobicContact CG-CB 4.19Å; Y89-V93 HydrophobicContact CG-CG1 4.45Å; Y89-V93 CarbonylContact O-C 3.6Å; Y89-V93 WeakPolarHBondContact O-CB 3.28Å; Y89-V93 PolarHBondContact O-N 3.33Å; Y89-H94 WeakPolarHBondContact O-CB 3.31Å; Y89-H94 PolarHBondContact O-N 3.41Å
90R75.7Confident72.9Confident202 Ų20296 Ų9676%0.76244%0.443SS*.Iπ-helixtrans-68.3-34.6179.8-70.3177.4-180-110.41.4113S86 F87 P95S86-R90 WeakPolarHBondContact O-CG 3.48Å; S86-R90 PolarHBondContact O-N 2.89Å; S86-R90 VanDerWaalsContact O-N 3.11Å; F87-R90 PolarHBondContact O-N 3.18Å; R90-P95 WeakPolarHBondContact O-CD 3.34Å
91K77Confident74.2Confident137 Ų13799.6 Ų99.660%0.59646%0.456SS*.Iπ-helixtrans-93.2-34.8-169.5-169.961.9175.7-176.20114.4F87 L88 Y89 P95F87-K91 HydrophobicContact CE1-CB 4.31Å; F87-K91 HydrophobicContact CE1-CG 4.39Å; F87-K91 VanDerWaalsContact O-CB 3.22Å; F87-K91 WeakPolarHBondContact O-CB 3.06Å; F87-K91 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 3.01Å; Y89-K91 PolarHBondContact O-N 2.78Å; K91-P95 WeakPolarHBondContact O-CG 3.33Å
92F76.3Confident75.6Confident132 Ų13296 Ų9658%0.57945%0.445SS*.Iπ-helixtrans-113.1-52-179.2-73.5-88.5000110.8L88 P95 L96L88-F92 HydrophobicContact CD1-CB 4.24Å; L88-F92 HydrophobicContact CD1-CD2 3.52Å; L88-F92 HydrophobicContact CD1-CE2 4.13Å; L88-F92 HydrophobicContact CD1-CG 4.09Å; L88-F92 HydrophobicContact CG-CB 4.45Å; L88-F92 HydrophobicContact CG-CD2 4.41Å; L88-F92 WeakPolarHBondContact O-CA 3.08Å; L88-F92 WeakPolarHBondContact O-CB 3.49Å; L88-F92 PolarHBondContact O-N 2.71Å; F92-P95 WeakPolarHBondContact O-CD 3.36Å; F92-P95 WeakPolarHBondContact O-CG 3.24Å; F92-L96 WeakPolarHBondContact O-CB 3.39Å; F92-L96 PolarHBondContact O-N 2.89Å
93V76Confident76.9Confident3 Ų395.3 Ų95.32%0.01844%0.438CS..Iπ-helixtrans-68.3-49.2-171.6-174.30000111.2I43 L47 L88 Y89 L96 L97I43-V93 HydrophobicContact CG2-CG1 4.05Å; L47-V93 HydrophobicContact CD1-CB 4.17Å; L47-V93 HydrophobicContact CD1-CG1 3.88Å; L47-V93 HydrophobicContact CD1-CG2 3.16Å; L47-V93 HydrophobicContact CD2-CG2 4.05Å; L47-V93 HydrophobicContact CG-CG2 4.23Å; L88-V93 PolarHBondContact O-N 3.44Å; L88-V93 VanDerWaalsContact O-N 3.09Å; Y89-V93 HydrophobicContact CD2-CB 3.78Å; Y89-V93 HydrophobicContact CD2-CG1 3.6Å; Y89-V93 HydrophobicContact CD2-CG2 4.23Å; Y89-V93 HydrophobicContact CE2-CB 4.27Å; Y89-V93 HydrophobicContact CE2-CG1 3.67Å; Y89-V93 HydrophobicContact CG-CB 4.19Å; Y89-V93 HydrophobicContact CG-CG1 4.45Å; Y89-V93 CarbonylContact O-C 3.6Å; Y89-V93 WeakPolarHBondContact O-CB 3.28Å; Y89-V93 PolarHBondContact O-N 3.33Å; V93-L96 CarbonylContact O-C 3.53Å; V93-L96 PolarHBondContact O-N 3.17Å; V93-L97 HydrophobicContact CG1-CD1 3.52Å; V93-L97 HydrophobicContact CG1-CD2 4.37Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 VanDerWaalsContact O-CD1 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.35Å; V93-L97 PolarHBondContact O-N 3.06Å
94H77.2Confident77.9Confident102 Ų10289.8 Ų89.847%0.47242%0.424SS..Hα-helixtrans-59.2-50.4179.7-175.4-81.6000112.2Y89 L97 V98Y89-H94 WeakPolarHBondContact O-CB 3.31Å; Y89-H94 PolarHBondContact O-N 3.41Å; H94-L97 PolarHBondContact O-N 2.99Å; H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.28Å; H94-V98 PolarHBondContact O-N 2.94Å
95P80.3Confident79Confident61 Ų6193.1 Ų93.140%0.39644%0.439SS..Hα-helixtrans-69-33.5175.223.3-30.2000113.2R90 K91 F92 R99R90-P95 WeakPolarHBondContact O-CD 3.34Å; K91-P95 WeakPolarHBondContact O-CG 3.33Å; F92-P95 WeakPolarHBondContact O-CD 3.36Å; F92-P95 WeakPolarHBondContact O-CG 3.24Å; P95-R99 WeakPolarHBondContact O-CB 3.33Å; P95-R99 PolarHBondContact O-N 3.05Å
96L76.3Confident80.1Confident87 Ų8797.8 Ų97.846%0.45546%0.462SS..Hα-helixtrans-63.5-49.3174-168.882.9000110.3F92 V93 R99 H100F92-L96 WeakPolarHBondContact O-CB 3.39Å; F92-L96 PolarHBondContact O-N 2.89Å; V93-L96 CarbonylContact O-C 3.53Å; V93-L96 PolarHBondContact O-N 3.17Å; L96-R99 PolarHBondContact O-N 3.11Å; L96-H100 WeakPolarHBondContact CD1-CE1 3.39Å; L96-H100 WeakPolarHBondContact CD1-ND1 3.44Å; L96-H100 WeakPolarHBondContact O-CB 3.01Å; L96-H100 PolarHBondContact O-N 2.77Å; L96-H100 PolarHBondContact O-ND1 3.42Å
97L78.2Confident81Confident73 Ų73102.2 Ų102.238%0.38247%0.47SS..Hα-helixtrans-59.2-53.1177.9-99.263.6000110.7V93 H94 R99 H100 E101V93-L97 HydrophobicContact CG1-CD1 3.52Å; V93-L97 HydrophobicContact CG1-CD2 4.37Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 VanDerWaalsContact O-CD1 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.35Å; V93-L97 PolarHBondContact O-N 3.06Å; H94-L97 PolarHBondContact O-N 2.99Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.67Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 PolarHBondContact O-N 3.28Å; L97-E101 WeakPolarHBondContact O-CA 3.47Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.38Å
98V81.3Confident81.8Confident77 Ų77100.8 Ų100.847%0.46747%0.468SS..Hα-helixtrans-63-36-177.3172.60000112H94H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.28Å; H94-V98 PolarHBondContact O-N 2.94Å
99R81.8Confident82.6Confident192 Ų192103.3 Ų103.373%0.72548%0.481SS*.Hα-helixtrans-73.7-46.1177.7-174.9174.3176.2-171.7-1.5111.7P95 L96 L97P95-R99 WeakPolarHBondContact O-CB 3.33Å; P95-R99 PolarHBondContact O-N 3.05Å; L96-R99 PolarHBondContact O-N 3.11Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.67Å
100H84.3Confident83.6Confident68 Ų68105 Ų10532%0.31549%0.491SS..Hα-helixtrans-85.5-11.5-175.4-65.974.2000112.8L96 L97 K102 D103 I104L96-H100 WeakPolarHBondContact CD1-CE1 3.39Å; L96-H100 WeakPolarHBondContact CD1-ND1 3.44Å; L96-H100 WeakPolarHBondContact O-CB 3.01Å; L96-H100 PolarHBondContact O-N 2.77Å; L96-H100 PolarHBondContact O-ND1 3.42Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 PolarHBondContact O-N 3.28Å; H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.82Å; H100-D103 CarbonylContact O-C 3.6Å; H100-D103 PolarHBondContact O-N 2.77Å; H100-I104 HydrophobicContact CB-CD1 3.83Å; H100-I104 HydrophobicContact CB-CG1 4.14Å; H100-I104 WeakPolarHBondContact O-CB 3.21Å; H100-I104 WeakPolarHBondContact O-CD1 3.19Å; H100-I104 WeakPolarHBondContact O-CG1 3.18Å; H100-I104 PolarHBondContact O-N 3.12Å
101E84.5Confident84.5Confident115 Ų11598.1 Ų98.154%0.53748%0.478SS..Hα-helixtrans-56.2-47.7178.6177.3178.5-164.100110.5L97 I104 D105L97-E101 WeakPolarHBondContact O-CA 3.47Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.38Å; E101-I104 PolarHBondContact O-N 3.32Å; E101-D105 WeakPolarHBondContact O-CB 3.46Å; E101-D105 PolarHBondContact O-N 2.94Å
102K86.3Confident85.3Confident145 Ų14599.2 Ų99.263%0.6348%0.483SS*.Hα-helixtrans-63.6-45.7175.3-63.4-168.2-179.4700111.9H100 I104 D105 D106H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.82Å; K102-I104 PolarHBondContact O-N 3.44Å; K102-D105 PolarHBondContact O-N 2.87Å; K102-D106 WeakPolarHBondContact O-CB 3.28Å; K102-D106 PolarHBondContact O-N 3.25Å
103D87.6Confident86.1Confident67 Ų6799.5 Ų99.536%0.35848%0.484SS..Hα-helixtrans-62-47179.6-62.2-29.6000110.4H100 D105 D106 Y107H100-D103 CarbonylContact O-C 3.6Å; H100-D103 PolarHBondContact O-N 2.77Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.31Å; D103-D106 PolarHBondContact O-N 3.43Å; D103-Y107 HydrophobicContact CB-CD2 4.16Å; D103-Y107 HydrophobicContact CB-CE2 4.16Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 WeakPolarHBondContact O-CD2 3Å; D103-Y107 PolarHBondContact O-N 3.46Å
104I86.2Confident86.8Confident97 Ų97105.2 Ų105.250%0.49751%0.51SS..Hα-helixtrans-61.7-42.9178.5-68163.7000110H100 E101 K102 Y107 L108H100-I104 HydrophobicContact CB-CD1 3.83Å; H100-I104 HydrophobicContact CB-CG1 4.14Å; H100-I104 WeakPolarHBondContact O-CB 3.21Å; H100-I104 WeakPolarHBondContact O-CD1 3.19Å; H100-I104 WeakPolarHBondContact O-CG1 3.18Å; H100-I104 PolarHBondContact O-N 3.12Å; E101-I104 PolarHBondContact O-N 3.32Å; K102-I104 PolarHBondContact O-N 3.44Å; I104-Y107 PolarHBondContact O-N 2.83Å; I104-L108 WeakPolarHBondContact O-CA 3.46Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 3.34Å
105D90.3Very high87.5Confident82 Ų82101.6 Ų101.644%0.43950%0.501SS..Hα-helixtrans-64.2-45.3176.9-80.2-12.9000111.2E101 K102 D103 L108 I109E101-D105 WeakPolarHBondContact O-CB 3.46Å; E101-D105 PolarHBondContact O-N 2.94Å; K102-D105 PolarHBondContact O-N 2.87Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.31Å; D105-L108 PolarHBondContact O-N 3.33Å; D105-I109 WeakPolarHBondContact O-CB 3.11Å; D105-I109 WeakPolarHBondContact O-CD1 3.48Å; D105-I109 WeakPolarHBondContact O-CG1 3.23Å; D105-I109 PolarHBondContact O-N 2.98Å
106D91.6Very high88.1Confident107 Ų107106.4 Ų106.457%0.57251%0.512SS*.Hα-helixtrans-64.4-44.8176.6-76.1-23.3000111.5K102 D103 L108 I109 Q110K102-D106 WeakPolarHBondContact O-CB 3.28Å; K102-D106 PolarHBondContact O-N 3.25Å; D103-D106 PolarHBondContact O-N 3.43Å; D106-L108 VanDerWaalsContact C-N 3.33Å; D106-L108 PolarHBondContact O-N 3.27Å; D106-I109 PolarHBondContact O-N 3.45Å; D106-Q110 WeakPolarHBondContact O-CB 3.31Å; D106-Q110 PolarHBondContact O-N 3.49Å
107Y89.2Confident88.8Confident158 Ų158106.5 Ų106.562%0.6252%0.517SS*.Hα-helixtrans-62.7-38.8174.3-82.2-62.7000111.5D103 I104 Q110 A111D103-Y107 HydrophobicContact CB-CD2 4.16Å; D103-Y107 HydrophobicContact CB-CE2 4.16Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 WeakPolarHBondContact O-CD2 3Å; D103-Y107 PolarHBondContact O-N 3.46Å; I104-Y107 PolarHBondContact O-N 2.83Å; Y107-Q110 PolarHBondContact O-N 2.81Å; Y107-A111 WeakPolarHBondContact O-CA 3.07Å; Y107-A111 WeakPolarHBondContact O-CB 3.32Å; Y107-A111 PolarHBondContact O-N 3.43Å
108L91.4Very high89.5Confident109 Ų109105.6 Ų105.657%0.57152%0.519SS*.Hα-helixtrans-69.8-41.1178.7-178.365.4000110.6I104 D105 D106 Q110 K112I104-L108 WeakPolarHBondContact O-CA 3.46Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 3.34Å; D105-L108 PolarHBondContact O-N 3.33Å; D106-L108 VanDerWaalsContact C-N 3.33Å; D106-L108 PolarHBondContact O-N 3.27Å; L108-Q110 VanDerWaalsContact C-N 3.34Å; L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.21Å
109I92.6Very high90.1Very high88 Ų88107.6 Ų107.645%0.45153%0.526SS..Hα-helixtrans-62.8-44174.3-69.5164.3000109.8D105 D106 K113D105-I109 WeakPolarHBondContact O-CB 3.11Å; D105-I109 WeakPolarHBondContact O-CD1 3.48Å; D105-I109 WeakPolarHBondContact O-CG1 3.23Å; D105-I109 PolarHBondContact O-N 2.98Å; D106-I109 PolarHBondContact O-N 3.45Å; I109-K113 HydrophobicContact CG2-CD 4.28Å; I109-K113 VanDerWaalsContact O-CG 3.28Å; I109-K113 WeakPolarHBondContact O-CG 3.18Å; I109-K113 PolarHBondContact O-N 3.21Å
110Q92.7Very high90.7Very high102 Ų102101.7 Ų101.748%0.47751%0.511SS..Hα-helixtrans-66.7-47.8177.9-172176.554.300111.9D106 Y107 L108 K112 K113 H114D106-Q110 WeakPolarHBondContact O-CB 3.31Å; D106-Q110 PolarHBondContact O-N 3.49Å; Y107-Q110 PolarHBondContact O-N 2.81Å; L108-Q110 VanDerWaalsContact C-N 3.34Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.79Å; Q110-K113 WeakPolarHBondContact O-CB 3.42Å; Q110-K113 PolarHBondContact O-N 3.37Å; Q110-H114 PolarHBondContact O-N 2.99Å
111A93.8Very high90.9Very high58 Ų5899.5 Ų99.548%0.47951%0.507SS..Hα-helixtrans-63.6-36.5177.400000111.6Y107 G115Y107-A111 WeakPolarHBondContact O-CA 3.07Å; Y107-A111 WeakPolarHBondContact O-CB 3.32Å; Y107-A111 PolarHBondContact O-N 3.43Å; A111-G115 VanDerWaalsContact O-CA 3.32Å; A111-G115 WeakPolarHBondContact O-CA 3.47Å; A111-G115 PolarHBondContact O-N 3.33Å
112K93.5Very high91.2Very high160 Ų16099.4 Ų99.470%0.69651%0.509SS*.Hα-helixtrans-66.2-41.6173.4-176.3176.8-177.4179.20111.3L108 Q110 Y116L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.21Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.79Å; K112-Y116 WeakPolarHBondContact O-CB 3.3Å; K112-Y116 PolarHBondContact O-N 2.91Å
113K93.2Very high91.5Very high138 Ų13894.6 Ų94.660%0.650%0.502SS*.Hα-helixtrans-63-50.7175.2-74.2170.6-178.21750111.2I109 Q110 Y116 T117I109-K113 HydrophobicContact CG2-CD 4.28Å; I109-K113 VanDerWaalsContact O-CG 3.28Å; I109-K113 WeakPolarHBondContact O-CG 3.18Å; I109-K113 PolarHBondContact O-N 3.21Å; Q110-K113 WeakPolarHBondContact O-CB 3.42Å; Q110-K113 PolarHBondContact O-N 3.37Å; K113-Y116 PolarHBondContact O-N 3.45Å; K113-T117 PolarHBondContact O-N 3.01Å
114H90.4Very high91.7Very high123 Ų12394.2 Ų94.257%0.56950%0.504SS*.Hα-helixtrans-64-45.7177.3-72.6-0.1000112Q110 Y116 T117 A118Q110-H114 PolarHBondContact O-N 2.99Å; H114-Y116 PolarHBondContact O-N 3.29Å; H114-T117 PolarHBondContact O-N 3.32Å; H114-T117 PolarHBondContact O-OG1 3.19Å; H114-A118 PolarHBondContact O-N 3.37Å
115G91.8Very high91.8Very high27 Ų2798.4 Ų98.428%0.27851%0.514SS..Hα-helixtrans-61.7-41.8177.500000112.6A111 T117 A118 I119A111-G115 VanDerWaalsContact O-CA 3.32Å; A111-G115 WeakPolarHBondContact O-CA 3.47Å; A111-G115 PolarHBondContact O-N 3.33Å; G115-T117 PolarHBondContact O-N 3.46Å; G115-A118 PolarHBondContact O-N 2.91Å; G115-I119 WeakPolarHBondContact O-CB 3.38Å; G115-I119 VanDerWaalsContact O-CG1 3.23Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 2.96Å
116Y94.2Very high91.8Very high161 Ų16196.5 Ų96.563%0.63151%0.514SS*.Hα-helixtrans-59.5-46.8175.7-174.4-95.6000110.9K112 K113 H114 A118 I119 V120K112-Y116 WeakPolarHBondContact O-CB 3.3Å; K112-Y116 PolarHBondContact O-N 2.91Å; K113-Y116 PolarHBondContact O-N 3.45Å; H114-Y116 PolarHBondContact O-N 3.29Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 3.07Å; Y116-I119 PolarHBondContact O-N 3.38Å; Y116-V120 HydrophobicContact CD1-CG1 4.19Å; Y116-V120 HydrophobicContact CE1-CG1 3.83Å; Y116-V120 HydrophobicContact CE2-CG1 4.21Å; Y116-V120 WeakPolarHBondContact O-CG1 3.4Å; Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.49Å; Y116-V120 PolarHBondContact O-N 2.84Å
117T90.1Very high91.7Very high90 Ų9098.3 Ų98.355%0.55252%0.517SS*.Hα-helixtrans-63.2-37.3176.560.40000112.9K113 H114 G115 V120 G121K113-T117 PolarHBondContact O-N 3.01Å; H114-T117 PolarHBondContact O-N 3.32Å; H114-T117 PolarHBondContact O-OG1 3.19Å; G115-T117 PolarHBondContact O-N 3.46Å; T117-V120 WeakPolarHBondContact O-CG2 3.23Å; T117-G121 PolarHBondContact O-N 3.4Å
118A93Very high91.6Very high53 Ų5396 Ų9644%0.43851%0.513SS..Hα-helixtrans-68.7-43.1175.900000112.1H114 G115 Y116 G121 L122H114-A118 PolarHBondContact O-N 3.37Å; G115-A118 PolarHBondContact O-N 2.91Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 3.07Å; A118-G121 PolarHBondContact O-N 3.49Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 VanDerWaalsContact O-CG 3.3Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 2.85Å
119I93.7Very high91.5Very high120 Ų12099.3 Ų99.362%0.61552%0.519SS*.Hα-helixtrans-67.6-45.3179.6-69.1166.9000110.9G115 Y116 G121 L122 G123G115-I119 WeakPolarHBondContact O-CB 3.38Å; G115-I119 VanDerWaalsContact O-CG1 3.23Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 2.96Å; Y116-I119 PolarHBondContact O-N 3.38Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.78Å; I119-L122 PolarHBondContact O-N 3.46Å; I119-G123 PolarHBondContact O-N 3.01Å
120V94Very high91.5Very high67 Ų6797 Ų9741%0.40651%0.513SS..Hα-helixtrans-68.7-31.4176.1-58.30000111.6Y116 T117 S124Y116-V120 HydrophobicContact CD1-CG1 4.19Å; Y116-V120 HydrophobicContact CE1-CG1 3.83Å; Y116-V120 HydrophobicContact CE2-CG1 4.21Å; Y116-V120 WeakPolarHBondContact O-CG1 3.4Å; Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.49Å; Y116-V120 PolarHBondContact O-N 2.84Å; T117-V120 WeakPolarHBondContact O-CG2 3.23Å; V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 2.79Å; V120-S124 PolarHBondContact O-OG 3.03Å
121G90.1Very high91.4Very high22 Ų2299.9 Ų99.923%0.22752%0.52CS..Hα-helixtrans-64.9-46.3171.100000112.4T117 A118 I119 S124 R125T117-G121 PolarHBondContact O-N 3.4Å; A118-G121 PolarHBondContact O-N 3.49Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.78Å; G121-S124 WeakPolarHBondContact CA-OG 3.29Å; G121-S124 PolarHBondContact O-OG 3.41Å; G121-R125 WeakPolarHBondContact O-CB 3.24Å; G121-R125 VanDerWaalsContact O-CG 3.24Å; G121-R125 WeakPolarHBondContact O-CG 3.43Å; G121-R125 PolarHBondContact O-N 2.96Å
122L90.9Very high91.1Very high113 Ų113103.7 Ų103.759%0.59253%0.528SS*.Hα-helixtrans-63.7-42.4174.1-75.2167.6000111.7A118 I119 R125 G126A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 VanDerWaalsContact O-CG 3.3Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 2.85Å; I119-L122 PolarHBondContact O-N 3.46Å; L122-R125 PolarHBondContact O-N 3.38Å; L122-G126 PolarHBondContact O-N 3.28Å
123G92.4Very high90.9Very high45 Ų45100.6 Ų100.646%0.46452%0.518SS..Hα-helixtrans-64.6-44.8177.700000112.8I119 G126 F127I119-G123 PolarHBondContact O-N 3.01Å; G123-G126 PolarHBondContact O-N 3.48Å; G123-F127 PolarHBondContact O-N 3.35Å
124S91.4Very high90.8Very high59 Ų5998.3 Ų98.341%0.41352%0.515SS..Hα-helixtrans-66.3-37.7174.753.80000112.1V120 G121 G126 F127 M128V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 2.79Å; V120-S124 PolarHBondContact O-OG 3.03Å; G121-S124 WeakPolarHBondContact CA-OG 3.29Å; G121-S124 PolarHBondContact O-OG 3.41Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-G126 PolarHBondContact O-N 2.97Å; S124-F127 PolarHBondContact O-N 3.28Å; S124-M128 WeakPolarHBondContact O-CB 3.42Å; S124-M128 WeakPolarHBondContact O-CG 3.45Å; S124-M128 PolarHBondContact O-N 3.39Å
125R86.9Confident90.7Very high184 Ų18494.6 Ų94.669%0.69451%0.506SS*.Hα-helixtrans-59.5-43.2171.1-75.4172.8-176.6176.91.7112.1G121 L122 M128 Y129G121-R125 WeakPolarHBondContact O-CB 3.24Å; G121-R125 VanDerWaalsContact O-CG 3.24Å; G121-R125 WeakPolarHBondContact O-CG 3.43Å; G121-R125 PolarHBondContact O-N 2.96Å; L122-R125 PolarHBondContact O-N 3.38Å; R125-M128 PolarHBondContact O-N 3.11Å; R125-Y129 PolarHBondContact O-N 2.81Å
126G90.6Very high90.4Very high43 Ų4395.7 Ų95.744%0.44351%0.509SS..Hα-helixtrans-61-45.6173.800000112.6L122 G123 S124 Y129 A130L122-G126 PolarHBondContact O-N 3.28Å; G123-G126 PolarHBondContact O-N 3.48Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-G126 PolarHBondContact O-N 2.97Å; G126-Y129 PolarHBondContact O-N 3.31Å; G126-A130 WeakPolarHBondContact O-CB 3.17Å; G126-A130 PolarHBondContact O-N 2.8Å
127F89.7Confident90.1Very high145 Ų14590.7 Ų90.764%0.63650%0.501SS*.Hα-helixtrans-64.5-39.2176.1-177.4-98.7000112.7G123 S124 A130 R131G123-F127 PolarHBondContact O-N 3.35Å; S124-F127 PolarHBondContact O-N 3.28Å; F127-A130 CarbonylContact O-C 3.59Å; F127-A130 PolarHBondContact O-N 2.93Å; F127-R131 WeakPolarHBondContact O-CB 3.41Å; F127-R131 PolarHBondContact O-N 3.04Å
128M87.8Confident89.9Confident110 Ų11088.5 Ų88.554%0.54249%0.492SS..Hα-helixtrans-67.6-39178.3-69.6-65.1179.900112.2S124 R125 R131S124-M128 WeakPolarHBondContact O-CB 3.42Å; S124-M128 WeakPolarHBondContact O-CG 3.45Å; S124-M128 PolarHBondContact O-N 3.39Å; R125-M128 PolarHBondContact O-N 3.11Å; M128-R131 WeakPolarHBondContact O-CB 3.44Å; M128-R131 PolarHBondContact O-N 3.46Å
129Y89.4Confident89.6Confident178 Ų17890.3 Ų90.370%0.69850%0.498SS*.Hα-helixtrans-64.5-42.8172.8-177.3-100.6000111.4R125 G126 R131 E132 I133R125-Y129 PolarHBondContact O-N 2.81Å; G126-Y129 PolarHBondContact O-N 3.31Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.25Å; Y129-E132 PolarHBondContact O-N 2.76Å; Y129-I133 HydrophobicContact CD1-CD1 4.13Å; Y129-I133 HydrophobicContact CE1-CD1 3.66Å
130A92Very high89.1Confident40 Ų4092 Ų9233%0.33150%0.501SS..Hα-helixtrans-65.4-32.8175.300000112.5G126 F127 E132 I133 V134G126-A130 WeakPolarHBondContact O-CB 3.17Å; G126-A130 PolarHBondContact O-N 2.8Å; F127-A130 CarbonylContact O-C 3.59Å; F127-A130 PolarHBondContact O-N 2.93Å; A130-E132 PolarHBondContact O-N 3.44Å; A130-I133 PolarHBondContact O-N 3.02Å; A130-V134 WeakPolarHBondContact O-CB 3.12Å; A130-V134 VanDerWaalsContact O-CG2 3.24Å; A130-V134 WeakPolarHBondContact O-CG2 3.34Å; A130-V134 PolarHBondContact O-N 2.77Å
131R91.2Very high88.5Confident161 Ų16189.9 Ų89.961%0.60849%0.492SS*.Hα-helixtrans-56.8-38.2-179.6-176.1-178.6175.1-175.7-1.4112F127 M128 Y129 A135F127-R131 WeakPolarHBondContact O-CB 3.41Å; F127-R131 PolarHBondContact O-N 3.04Å; M128-R131 WeakPolarHBondContact O-CB 3.44Å; M128-R131 PolarHBondContact O-N 3.46Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.11Å; R131-A135 PolarHBondContact O-N 3.49Å
132E86.2Confident87.9Confident139 Ų13994.8 Ų94.865%0.6551%0.509SS*.Hα-helixtrans-71.2-43.5178.8-173.458.3-15500111.9Y129 A130 V134 A135 S136Y129-E132 PolarHBondContact O-N 2.76Å; A130-E132 PolarHBondContact O-N 3.44Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.9Å; E132-A135 PolarHBondContact O-N 2.88Å; E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 3.05Å; E132-S136 PolarHBondContact O-OG 3.43Å
133I90.7Very high87.2Confident94 Ų9495.5 Ų95.548%0.48251%0.513SS..Hα-helixtrans-62.2-44.1175.1-61175.9000110Y129 A130 S136 A137Y129-I133 HydrophobicContact CD1-CD1 4.13Å; Y129-I133 HydrophobicContact CE1-CD1 3.66Å; A130-I133 PolarHBondContact O-N 3.02Å; I133-S136 PolarHBondContact O-OG 3.39Å; I133-S136 VanDerWaalsContact O-OG 3.05Å; I133-A137 WeakPolarHBondContact O-CB 3.24Å; I133-A137 PolarHBondContact O-N 3.48Å
134V90.6Very high86.4Confident91 Ų9199.3 Ų99.355%0.55252%0.518SS*.Hα-helixtrans-70.9-39.7179.3173.50000111.4A130 E132 A137 A138A130-V134 WeakPolarHBondContact O-CB 3.12Å; A130-V134 VanDerWaalsContact O-CG2 3.24Å; A130-V134 WeakPolarHBondContact O-CG2 3.34Å; A130-V134 PolarHBondContact O-N 2.77Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.9Å; V134-A137 CarbonylContact O-C 3.53Å; V134-A137 PolarHBondContact O-N 2.99Å; V134-A138 WeakPolarHBondContact O-CA 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.11Å; V134-A138 PolarHBondContact O-N 2.7Å
135A89.1Confident85.7Confident45 Ų45101.1 Ų101.137%0.37252%0.522SS..Hα-helixtrans-63.1-46.6177.700000110.7R131 E132 A138 V139R131-A135 WeakPolarHBondContact O-CB 3.11Å; R131-A135 PolarHBondContact O-N 3.49Å; E132-A135 PolarHBondContact O-N 2.88Å; A135-A138 PolarHBondContact O-N 3.18Å; A135-V139 VanDerWaalsContact O-CG2 3.32Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.98Å
136S85.3Confident85.2Confident50 Ų5096.4 Ų96.435%0.3551%0.514SS..Hα-helixtrans-68.3-37.3176.460.60000112.6E132 I133 K140E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 3.05Å; E132-S136 PolarHBondContact O-OG 3.43Å; I133-S136 PolarHBondContact O-OG 3.39Å; I133-S136 VanDerWaalsContact O-OG 3.05Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 VanDerWaalsContact O-CG 3.32Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.37Å
137A87Confident84.3Confident55 Ų5599.3 Ų99.346%0.45552%0.519SS..Hα-helixtrans-69.2-33.5173.300000112.9I133 V134 G141I133-A137 WeakPolarHBondContact O-CB 3.24Å; I133-A137 PolarHBondContact O-N 3.48Å; V134-A137 CarbonylContact O-C 3.53Å; V134-A137 PolarHBondContact O-N 2.99Å; A137-G141 VanDerWaalsContact O-CA 3.28Å; A137-G141 WeakPolarHBondContact O-CA 3.28Å; A137-G141 PolarHBondContact O-N 2.73Å
138A86.5Confident83.5Confident45 Ų4597.3 Ų97.337%0.37251%0.512SS..Hα-helixtrans-68.5-43.7174.800000110.4V134 A135 G141 Q142V134-A138 WeakPolarHBondContact O-CA 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.11Å; V134-A138 PolarHBondContact O-N 2.7Å; A135-A138 PolarHBondContact O-N 3.18Å; A138-G141 PolarHBondContact O-N 3.37Å; A138-Q142 VanDerWaalsContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CG 3.24Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 PolarHBondContact O-OE1 3.36Å
139V86Confident82.7Confident91 Ų9197.4 Ų97.455%0.55251%0.514SS*.Hα-helixtrans-63.4-46175.2172.80000111.2A135 L143A135-V139 VanDerWaalsContact O-CG2 3.32Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.98Å; V139-L143 PolarHBondContact O-N 2.7Å
140K83.5Confident81.5Confident156 Ų15698 Ų9868%0.67852%0.515SS*.Hα-helixtrans-65.5-40.8175.6-72.5175.8-178.6178.20112.1S136 L143 H144S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 VanDerWaalsContact O-CG 3.32Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.37Å; K140-L143 WeakPolarHBondContact O-CB 3.19Å; K140-L143 PolarHBondContact O-N 2.84Å; K140-H144 PolarHBondContact O-N 3.33Å
141G80.5Confident80.1Confident21 Ų21104 Ų10422%0.21653%0.534CS..Hα-helixtrans-68.8-38.2179.400000112.3A137 A138 L143 H144 L145A137-G141 VanDerWaalsContact O-CA 3.28Å; A137-G141 WeakPolarHBondContact O-CA 3.28Å; A137-G141 PolarHBondContact O-N 2.73Å; A138-G141 PolarHBondContact O-N 3.37Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.49Å; G141-H144 CarbonylContact O-C 3.49Å; G141-H144 PolarHBondContact O-N 2.71Å; G141-H144 VanDerWaalsContact O-N 3.09Å; G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 WeakPolarHBondContact O-CG 3.2Å; G141-L145 PolarHBondContact O-N 3.47Å
142Q77.7Confident78.8Confident126 Ų126100.3 Ų100.359%0.58953%0.533SS*.Hα-helixtrans-60.5-36.4174.8-81.4173.1-70.300111.7A138 H144 V146A138-Q142 VanDerWaalsContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CG 3.24Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 PolarHBondContact O-OE1 3.36Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.3Å; Q142-V146 WeakPolarHBondContact O-CB 3.19Å; Q142-V146 VanDerWaalsContact O-CG1 3.24Å; Q142-V146 WeakPolarHBondContact O-CG1 3.48Å; Q142-V146 PolarHBondContact O-N 3.41Å
143L77Confident77.7Confident128 Ų128103.9 Ų103.967%0.6754%0.542SS*.Hα-helixtrans-63.1-38.6173.5-100.6151.1000112.6V139 K140 G141V139-L143 PolarHBondContact O-N 2.7Å; K140-L143 WeakPolarHBondContact O-CB 3.19Å; K140-L143 PolarHBondContact O-N 2.84Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.49Å
144H76.1Confident75.9Confident125 Ų125103.4 Ų103.458%0.57955%0.547SS*.Hα-helixtrans-82.5-40.2179.1-167.2-41.1000112.5K140 G141 Q142 N147 Q148K140-H144 PolarHBondContact O-N 3.33Å; G141-H144 CarbonylContact O-C 3.49Å; G141-H144 PolarHBondContact O-N 2.71Å; G141-H144 VanDerWaalsContact O-N 3.09Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.3Å; H144-N147 PolarHBondContact O-N 2.7Å; H144-Q148 PolarHBondContact O-N 3.09Å; H144-Q148 VanDerWaalsContact O-N 3.1Å
145L76.1Confident73.6Confident96 Ų96105.2 Ų105.250%0.50356%0.558SS.*Hα-helixtrans-74.9-29.5-179.3-72.8168.4000111.9G141 N147 Q148 L149G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 WeakPolarHBondContact O-CG 3.2Å; G141-L145 PolarHBondContact O-N 3.47Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.46Å; L145-Q148 PolarHBondContact O-N 3.1Å; L145-L149 WeakPolarHBondContact O-CA 3.46Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3Å; L145-L149 PolarHBondContact O-N 3.32Å
146V75.3Confident72.1Confident86 Ų86106.8 Ų106.852%0.52158%0.578SS.*Hα-helixtrans-65.2-35.7173.674.60000111.1Q142 R150Q142-V146 WeakPolarHBondContact O-CB 3.19Å; Q142-V146 VanDerWaalsContact O-CG1 3.24Å; Q142-V146 WeakPolarHBondContact O-CG1 3.48Å; Q142-V146 PolarHBondContact O-N 3.41Å; V146-R150 WeakPolarHBondContact O-CB 3.09Å; V146-R150 PolarHBondContact O-N 3.35Å
147N72.8Confident70.5Confident103 Ų103111.8 Ų111.855%0.55160%0.601SS**Hα-helixtrans-72.8-38.3174.5-88.6-8.6000111.9H144 L145 K151H144-N147 PolarHBondContact O-N 2.7Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.46Å; N147-K151 WeakPolarHBondContact O-CB 3.32Å; N147-K151 PolarHBondContact O-N 3.33Å
148Q73.4Confident68.3Low103 Ų103115.7 Ų115.748%0.48161%0.613SS.*Hα-helixtrans-72.2-41174.3-79.1-148.7-38.400113.1H144 L145 R150 K151 S152H144-Q148 PolarHBondContact O-N 3.09Å; H144-Q148 VanDerWaalsContact O-N 3.1Å; L145-Q148 PolarHBondContact O-N 3.1Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-K151 CarbonylContact O-C 3.46Å; Q148-K151 WeakPolarHBondContact O-CA 3.15Å; Q148-K151 PolarHBondContact O-N 3.35Å; Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.83Å; Q148-S152 PolarHBondContact O-OG 2.67Å; Q148-S152 VanDerWaalsContact O-OG 3.12Å
149L69.5Low66.6Low112 Ų112119.8 Ų119.859%0.58664%0.64SS**Hα-helixtrans-61.2-42.8170.2-79.2163.2000110.1L145 K151 S152 Y153L145-L149 WeakPolarHBondContact O-CA 3.46Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3Å; L145-L149 PolarHBondContact O-N 3.32Å; L149-K151 PolarHBondContact O-N 3.44Å; L149-S152 PolarHBondContact O-N 2.67Å; L149-Y153 WeakPolarHBondContact O-CA 3.35Å; L149-Y153 WeakPolarHBondContact O-CB 3.38Å; L149-Y153 PolarHBondContact O-N 3.05Å
150R66Low64.8Low190 Ų190126 Ų12672%0.71765%0.653SS**Hα-helixtrans-59-35.8172.1176.9177.4-97.7179.1-7.8111.9V146 Q148 S154V146-R150 WeakPolarHBondContact O-CB 3.09Å; V146-R150 PolarHBondContact O-N 3.35Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; R150-S154 WeakPolarHBondContact O-CB 3.43Å
151K62.4Low62.9Low166 Ų166125.4 Ų125.472%0.72266%0.657SS**Hα-helixtrans-80.5-33.4178.3-162.2174.6-176.3-178.50113.5N147 Q148 L149 S154N147-K151 WeakPolarHBondContact O-CB 3.32Å; N147-K151 PolarHBondContact O-N 3.33Å; Q148-K151 CarbonylContact O-C 3.46Å; Q148-K151 WeakPolarHBondContact O-CA 3.15Å; Q148-K151 PolarHBondContact O-N 3.35Å; L149-K151 PolarHBondContact O-N 3.44Å; K151-S154 CarbonylContact O-C 3.51Å; K151-S154 PolarHBondContact O-N 3.12Å
152S64Low61Low85 Ų85132 Ų13259%0.59468%0.682SS**Hα-helixtrans-87.7-29.5-178.9-66.30000112.8Q148 L149 S154Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.83Å; Q148-S152 PolarHBondContact O-OG 2.67Å; Q148-S152 VanDerWaalsContact O-OG 3.12Å; L149-S152 PolarHBondContact O-N 2.67Å; S152-S154 PolarHBondContact O-N 2.96Å
153Y61.2Low59.3Low214 Ų214134.4 Ų134.484%0.83969%0.693SS**SBendtrans-71.5-12.5165.9-155.5-93.8000111.3L149L149-Y153 WeakPolarHBondContact O-CA 3.35Å; L149-Y153 WeakPolarHBondContact O-CB 3.38Å; L149-Y153 PolarHBondContact O-N 3.05Å
154S53.5Low57.4Low83 Ų83135 Ų13558%0.5869%0.693SS**SBendtrans-103.366.5171.6-178.70000110.7R150 K151 S152R150-S154 WeakPolarHBondContact O-CB 3.43Å; K151-S154 CarbonylContact O-C 3.51Å; K151-S154 PolarHBondContact O-N 3.12Å; S152-S154 PolarHBondContact O-N 2.96Å
155V43.7Very low55.5Low130 Ų130137.8 Ų137.879%0.78871%0.706SS**SBendtrans-159.7110.4142.7-88.50000109.9
156G56.4Low53.5Low77 Ų77138.6 Ų138.679%0.79472%0.715SS**  trans93.565.7148.900000116.5
157D51.7Low51.8Low155 Ų155140.2 Ų140.283%0.82973%0.725SS**SBendtrans-134.1131.3137.3-127.8-34.6000107
158L40.7Very low49.9Very low137 Ų137140.9 Ų140.972%0.71774%0.737SS**SBendtrans87.454.6-171.5-51.5155.7000117
159S51.5Low48.2Very low132 Ų132147.3 Ų147.392%0.92376%0.756SS**SBendtrans-135.99.7142.5-69.50000113
160R48.2Very low46.8Very low220 Ų220147.4 Ų147.483%0.8376%0.764SS**SBendtrans-125.6115.3171-151.7168.4160.9131.7-2.2104.5
161D44.2Very low45.4Very low144 Ų144142.5 Ų142.577%0.7776%0.764SS**SBendtrans89.247178.3-50.2-27.6000118.7
162Q39.5Very low44.4Very low160 Ų160142.3 Ų142.375%0.74877%0.77SS**  trans-126.474.8137.7-146173.9-8.700110.9Q164Q162-Q164 PolarHBondContact O-N 3.34Å
163H42.9Very low43.2Very low176 Ų176148 Ų14882%0.81578%0.778SS**  trans-59.877.8153.7-150.365000109.1
164Q36.3Very low42.1Very low142 Ų142144.7 Ų144.766%0.66477%0.77SS**  trans-175.6100.1162.8-123.1128.2-0.500106.8Q162Q162-Q164 PolarHBondContact O-N 3.34Å
165Q36.2Very low41.9Very low183 Ų183145.9 Ų145.986%0.85578%0.779SS**  cis47.259.448.2-147167.416.400112.6
166T34.9Very low41.7Very low112 Ų112146.2 Ų146.269%0.68778%0.782SS**  trans-162.2106.4146.115.90000111.8
167T38.4Very low41.2Very low120 Ų120152.2 Ų152.274%0.73678%0.78SS**  trans63.1121.4131.96.40000121.5
168C32.8Very low40.7Very low117 Ų117154.4 Ų154.479%0.79178%0.777SS**  trans69.5129.4152.8-65.30000115.6
169R37.6Very low40.5Very low238 Ų238153.7 Ų153.790%0.89878%0.778SS**  cis-178.415944.8-127.8171.7164.4-162-5.3108.3
170P41.9Very low39.9Very low114 Ų114151.6 Ų151.674%0.7477%0.769SS**  trans-99167.9-171.338.5-31.6000114.4
171A35.5Very low39.7Very low87 Ų87147.1 Ų147.172%0.71977%0.766SS**  trans67115.9144.700000120.2
172L42.1Very low39.4Very low162 Ų162145.9 Ų145.985%0.84876%0.764SS**  -178.9108.1122.7-121.980.3000107.6
173R38.5Very low39.2Very low205 Ų205149.2 Ų149.277%0.77477%0.77SS**  62.1109.985.8-155.3176.7-164.6-114.93.5113.9
174Q38.4Very low39.3Very low144 Ų144146.5 Ų146.567%0.67377%0.768SS**  trans46.6120.6144.4-64.7170-30.700118.9
175S49.4Very low39.7Very low109 Ų109147.2 Ų147.276%0.76278%0.775SS**  trans-147.494.1135.8-165.90000110.3R177S175-R177 PolarHBondContact O-N 3.3Å
176T39.6Very low40Very low137 Ų137145.1 Ų145.184%0.8477%0.774SS**  trans-66.7111.8160.1-40.10000107.6
177R45.3Very low40.8Very low202 Ų202145.5 Ų145.576%0.76278%0.782SS**  trans-150.6100.3167.1-148.7159.3-163.2-145.14.2108.7S175S175-R177 PolarHBondContact O-N 3.3Å
178R41.2Very low41.1Very low201 Ų201142.4 Ų142.476%0.75877%0.774SS**  72.6103.1101.7-96.5-174.6178.8-171.90.1111.7
179T37.1Very low41.3Very low122 Ų122148.4 Ų148.475%0.74878%0.782SS**  80114.3101.946.20000114
180A38.4Very low42Very low88 Ų88142 Ų14273%0.72777%0.773SS**  80.7132.1127.300000119.2
181T42.7Very low42.5Very low126 Ų126142.5 Ų142.577%0.77378%0.775SS**  trans91.594.1142-48.30000117.2
182T38Very low42.9Very low119 Ų119145.9 Ų145.973%0.7378%0.78SS**  28.5110.4115.7-48.30000117.3
183R36.2Very low43.3Very low229 Ų229144.1 Ų144.186%0.86478%0.778SS**  177.5153.5112.5-96.8-177.2175.2-165.2-2.1111.8
184P45.2Very low44.1Very low119 Ų119145.3 Ų145.377%0.77378%0.782SS**  trans-87.7145.6-170.235.5-31.5000111.3
185I43.9Very low45.1Very low157 Ų157150.2 Ų150.281%0.80580%0.795SS**  trans-125111.5167.1-62.2-179.9000108.1S187I185-S187 PolarHBondContact O-N 2.72Å
186T43.2Very low45.5Very low139 Ų139156.2 Ų156.285%0.85380%0.801SS**  trans-31.5114.7157.438.70000113.1
187S51.7Low46.1Very low120 Ų120159.5 Ų159.584%0.83980%0.798SS**  trans-110.7114.9162.2-174.70000105.7I185I185-S187 PolarHBondContact O-N 2.72Å
188G44.4Very low46.6Very low56 Ų56161.8 Ų161.858%0.57781%0.806SS**  cis102.177.546.300000107.2S190G188-S190 PolarHBondContact O-N 3.48Å
189Y37.3Very low47.2Very low242 Ų242157.8 Ų157.895%0.94980%0.8SS**  trans-67.8110.6175.6-76.7-93.3000110.7
190S52.6Low47.7Very low103 Ų103155.6 Ų155.672%0.7280%0.801SS**  trans176.9126158.450.20000105.8G188G188-S190 PolarHBondContact O-N 3.48Å
191T51.7Low48.8Very low126 Ų126158.2 Ų158.277%0.77381%0.809SS**  -165.6132.756.339.40000110.7
192L44.3Very low49.5Very low158 Ų158164.1 Ų164.183%0.82783%0.834SS**  trans-59.4144.4154.5-81145.9000110.6R194L192-R194 HydrophobicContact CD2-CB 4.42Å
193P50.6Low50Low124 Ų124166.4 Ų166.481%0.80584%0.84SS**  trans-125.995.6134.131.6-21.1000110R195P193-R195 PolarHBondContact O-N 3.4Å
194R55Low50.8Low230 Ų230163.1 Ų163.187%0.86884%0.838SS**  trans-85.293.8165.9-168.9177-174.1-177.62.2107.8L192 R196L192-R194 HydrophobicContact CD2-CB 4.42Å; R194-R196 PolarHBondContact O-N 3.42Å
195R59.7Low51.1Low247 Ų247165.6 Ų165.693%0.93284%0.842SS**  trans-63.4124.2176.2-154.6176.2-172.5-159.52.2109.3P193P193-R195 PolarHBondContact O-N 3.4Å
196R56.6Low51.5Low236 Ų236166.1 Ų166.189%0.89184%0.844SS**  trans-82.9144.4-173.9-167.5179.3-170-162.63.1111.1R194R194-R196 PolarHBondContact O-N 3.42Å
197R52.1Low52Low205 Ų205167.8 Ų167.877%0.77484%0.843SS**  trans-26.8147.8165.5-80.1-178.7172.3-149.86.7116.4D199R197-D199 IonicContact CZ-OD2 2.75Å; R197-D199 IonicContact NE-OD2 2.7Å; R197-D199 IonicContact NH1-OD2 3.33Å; R197-D199 PolarHBondContact NH1-OD2 2.94Å
198R57.7Low52Low250 Ų250170.9 Ų170.994%0.94384%0.844SS**  -142.1108.2127.3-120.3-176.9-159.8-170.94.8110.1
199D53.8Low52.6Low118 Ų118179.1 Ų179.163%0.63186%0.863SS**  trans-71.2147.8157.2-58.1-52000108.4R197R197-D199 IonicContact CZ-OD2 2.75Å; R197-D199 IonicContact NE-OD2 2.7Å; R197-D199 IonicContact NH1-OD2 3.33Å; R197-D199 PolarHBondContact NH1-OD2 2.94Å
200G47.5Very low53.8Low75 Ų75174.3 Ų174.377%0.77386%0.856SS**  trans15282.9164.700000114.8
201T59.7Low53.8Low144 Ų144180.3 Ų180.388%0.88387%0.867SS**  trans-145.293147.533.70000106.7
202L57.6Low54Low250 Ų250185.2 Ų185.2100%1.30988%0.876SS**  trans-69.80147.6-81.7165.4000108.1

Retrieved 202 of 202 residues in 398.3 ms (Link to these results)