G4V862_SCHMA Loading...

Codanin-1_C domain-containing protein

AlphaFold DB , UniProt , Accession G4V862, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M73.9Confident85.5Confident85 Ų8580.2 Ų80.242%0.41939%0.385SS..  0125.20-174.3168.867.400106.6I5 R6 L52 F55M1-I5 HydrophobicContact CG-CB 4.31Å; M1-I5 HydrophobicContact CG-CG2 4.24Å; M1-I5 HydrophobicContact SD-CG2 4.33Å; M1-R6 HydrophobicContact CE-CG 3.27Å; M1-R6 HydrophobicContact CG-CG 4.41Å; M1-R6 HydrophobicContact SD-CG 4.25Å; M1-L52 HydrophobicContact SD-CB 4.1Å; M1-L52 HydrophobicContact SD-CD1 3.73Å; M1-F55 HydrophobicContact CE-CB 3.72Å; M1-F55 HydrophobicContact CE-CD1 4.41Å; M1-F55 HydrophobicContact CE-CD2 4.32Å; M1-F55 HydrophobicContact CE-CG 3.89Å
2S80.4Confident85.8Confident57 Ų5776.2 Ų76.240%0.39937%0.365SS..  trans-69.8152.5-177.556.50000111.1R4 I5 R6S2-R4 PolarHBondContact O-N 3.47Å; S2-I5 PolarHBondContact O-N 3.09Å; S2-I5 WeakPolarHBondContact OG-CD1 3.34Å; S2-I5 VanDerWaalsContact OG-CG1 3.28Å; S2-I5 WeakPolarHBondContact OG-CG1 3.46Å; S2-I5 PolarHBondContact OG-N 3.34Å; S2-R6 PolarHBondContact O-N 3.38Å
3S83Confident85.9Confident74 Ų7470.4 Ų70.452%0.51734%0.337SS..Hα-helixtrans-53.3-44.9170.846.90000110.8I5 R6 D7S3-I5 PolarHBondContact O-N 2.88Å; S3-R6 WeakPolarHBondContact O-CA 3.41Å; S3-R6 WeakPolarHBondContact O-CB 3.48Å; S3-R6 PolarHBondContact O-N 3.32Å; S3-D7 PolarHBondContact O-N 3.27Å
4R85.5Confident86.1Confident179 Ų17970.2 Ų70.268%0.67534%0.338SS*.Hα-helixtrans-52.1-48.2178.9-168.5174.8179.5177.62.1113.2S2 R6 D7 H8S2-R4 PolarHBondContact O-N 3.47Å; R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 3.2Å; R4-D7 PolarHBondContact O-N 3.48Å; R4-H8 WeakPolarHBondContact CG-CE1 3.48Å; R4-H8 PolarHBondContact O-N 3.18Å; R4-H8 PolarHBondContact O-ND1 3.09Å
5I85.8Confident86.1Confident33 Ų3369.7 Ų69.717%0.16934%0.342CS..Hα-helixtrans-63.1-39179.6-68.6167.5000111M1 S2 S3 M9 F36 I42 L52M1-I5 HydrophobicContact CG-CB 4.31Å; M1-I5 HydrophobicContact CG-CG2 4.24Å; M1-I5 HydrophobicContact SD-CG2 4.33Å; S2-I5 PolarHBondContact O-N 3.09Å; S2-I5 WeakPolarHBondContact OG-CD1 3.34Å; S2-I5 VanDerWaalsContact OG-CG1 3.28Å; S2-I5 WeakPolarHBondContact OG-CG1 3.46Å; S2-I5 PolarHBondContact OG-N 3.34Å; S3-I5 PolarHBondContact O-N 2.88Å; I5-M9 WeakPolarHBondContact O-CB 3.1Å; I5-M9 PolarHBondContact O-N 3.19Å; I5-F36 HydrophobicContact CG2-CE1 4.15Å; I5-F36 HydrophobicContact CG2-CZ 4.46Å; I5-I42 HydrophobicContact CG1-CD1 4.31Å; I5-L52 HydrophobicContact CG2-CD1 4.19Å
6R87.5Confident85.9Confident100 Ų10066.8 Ų66.838%0.37733%0.329SS..Hα-helixtrans-62.4-44.4176.4-69.4-170.9-64.3-164.52.8111.7M1 S2 S3 R4 M9 R10 F55M1-R6 HydrophobicContact CE-CG 3.27Å; M1-R6 HydrophobicContact CG-CG 4.41Å; M1-R6 HydrophobicContact SD-CG 4.25Å; S2-R6 PolarHBondContact O-N 3.38Å; S3-R6 WeakPolarHBondContact O-CA 3.41Å; S3-R6 WeakPolarHBondContact O-CB 3.48Å; S3-R6 PolarHBondContact O-N 3.32Å; R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 3.2Å; R6-M9 PolarHBondContact O-N 3.38Å; R6-R10 VanDerWaalsContact O-CG 3.31Å; R6-R10 WeakPolarHBondContact O-CG 3.41Å; R6-R10 PolarHBondContact O-N 2.94Å; R6-F55 HydrophobicContact CB-CE1 3.98Å; R6-F55 HydrophobicContact CB-CE2 3.98Å; R6-F55 HydrophobicContact CB-CZ 3.61Å; R6-F55 HydrophobicContact CG-CD1 4.32Å; R6-F55 HydrophobicContact CG-CD2 4.05Å; R6-F55 HydrophobicContact CG-CE1 4.14Å; R6-F55 HydrophobicContact CG-CE2 3.86Å; R6-F55 HydrophobicContact CG-CG 4.26Å; R6-F55 HydrophobicContact CG-CZ 3.9Å
7D88.2Confident85.7Confident75 Ų7564.3 Ų64.340%0.40132%0.317SS..Hα-helixtrans-69-38.3-177.4-59.8-32.5000111.7S3 R4 M9 R10 L11S3-D7 PolarHBondContact O-N 3.27Å; R4-D7 PolarHBondContact O-N 3.48Å; D7-M9 VanDerWaalsContact C-N 3.35Å; D7-R10 PolarHBondContact O-N 2.97Å; D7-R10 IonicContact OD1-CZ 3.91Å; D7-R10 IonicContact OD1-NH1 2.8Å; D7-R10 PolarHBondContact OD1-NH1 3.39Å; D7-L11 PolarHBondContact O-N 2.83Å
8H89.1Confident85.5Confident68 Ų6868.6 Ų68.632%0.31534%0.341SS..Hα-helixtrans-65.6-40.1173.5-70.563.7000111.3R4 L11 F12 F36 M40R4-H8 WeakPolarHBondContact CG-CE1 3.48Å; R4-H8 PolarHBondContact O-N 3.18Å; R4-H8 PolarHBondContact O-ND1 3.09Å; H8-L11 PolarHBondContact O-N 3.25Å; H8-F12 VanDerWaalsContact O-CB 3.31Å; H8-F12 WeakPolarHBondContact O-CB 3.47Å; H8-F12 PolarHBondContact O-N 2.93Å; H8-F36 HydrophobicContact CB-CE2 4.09Å; H8-F36 HydrophobicContact CB-CZ 4.03Å; H8-M40 HydrophobicContact CB-CE 4.19Å; H8-M40 WeakPolarHBondContact CD2-CE 3.39Å
9M88Confident85.3Confident0 Ų072.7 Ų72.70%036%0.36CS..Hα-helixtrans-64.8-41.7175.7178.763.388.900111.5I5 R6 D7 L11 F12 L13 T33 F36 L52 F55 V56I5-M9 WeakPolarHBondContact O-CB 3.1Å; I5-M9 PolarHBondContact O-N 3.19Å; R6-M9 PolarHBondContact O-N 3.38Å; D7-M9 VanDerWaalsContact C-N 3.35Å; M9-L11 PolarHBondContact O-N 3.23Å; M9-F12 PolarHBondContact O-N 2.81Å; M9-F12 HydrophobicContact SD-CD1 4.06Å; M9-L13 HydrophobicContact CG-CD1 3.87Å; M9-L13 HydrophobicContact CG-CG 4.25Å; M9-L13 WeakPolarHBondContact O-CB 3.5Å; M9-L13 WeakPolarHBondContact O-CG 3.37Å; M9-L13 PolarHBondContact O-N 2.87Å; M9-L13 HydrophobicContact SD-CD1 4.07Å; M9-L13 HydrophobicContact SD-CD2 4.31Å; M9-L13 HydrophobicContact SD-CG 3.94Å; M9-T33 HydrophobicContact CE-CG2 4.39Å; M9-F36 VanDerWaalsContact CA-CE2 3.43Å; M9-F36 HydrophobicContact CB-CD2 4.4Å; M9-F36 HydrophobicContact CB-CE1 4.23Å; M9-F36 HydrophobicContact CB-CE2 3.93Å; M9-F36 HydrophobicContact CB-CZ 3.81Å; M9-F36 HydrophobicContact CE-CB 3.53Å; M9-F36 HydrophobicContact CE-CD1 3.17Å; M9-F36 HydrophobicContact CE-CD2 3.99Å; M9-F36 HydrophobicContact CE-CE1 3.79Å; M9-F36 HydrophobicContact CE-CG 3.26Å; M9-F36 HydrophobicContact CE-CZ 4.41Å; M9-F36 HydrophobicContact SD-CB 3.91Å; M9-F36 HydrophobicContact SD-CD1 4.05Å; M9-F36 HydrophobicContact SD-CD2 3.73Å; M9-F36 HydrophobicContact SD-CE1 4.49Å; M9-F36 HydrophobicContact SD-CE2 4.23Å; M9-F36 HydrophobicContact SD-CG 3.6Å; M9-L52 HydrophobicContact CB-CD1 4.4Å; M9-L52 HydrophobicContact CE-CD1 3.64Å; M9-L52 HydrophobicContact CE-CD2 3.69Å; M9-L52 HydrophobicContact CE-CG 3.7Å; M9-L52 HydrophobicContact CG-CD1 4.25Å; M9-F55 HydrophobicContact CB-CE1 4.11Å; M9-F55 HydrophobicContact CG-CD1 4.22Å; M9-F55 HydrophobicContact CG-CE1 4.03Å; M9-V56 HydrophobicContact CE-CG2 3.52Å; M9-V56 HydrophobicContact CG-CG2 3.69Å; M9-V56 HydrophobicContact SD-CG2 3.71Å
10R89.6Confident84.9Confident96 Ų9671 Ų7136%0.36235%0.352SS..Hα-helixtrans-57.9-49.2174.5-73.3168.6173.6158.5-11.4111.2R6 D7 L13 L14 F55 F59R6-R10 VanDerWaalsContact O-CG 3.31Å; R6-R10 WeakPolarHBondContact O-CG 3.41Å; R6-R10 PolarHBondContact O-N 2.94Å; D7-R10 PolarHBondContact O-N 2.97Å; D7-R10 IonicContact OD1-CZ 3.91Å; D7-R10 IonicContact OD1-NH1 2.8Å; D7-R10 PolarHBondContact OD1-NH1 3.39Å; R10-L13 PolarHBondContact O-N 3.01Å; R10-L14 WeakPolarHBondContact O-CB 3.32Å; R10-L14 VanDerWaalsContact O-CG 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.47Å; R10-L14 PolarHBondContact O-N 3.2Å; R10-F55 HydrophobicContact CG-CE1 4.27Å; R10-F55 HydrophobicContact CG-CZ 3.8Å; R10-F59 HydrophobicContact CB-CE2 4.3Å; R10-F59 HydrophobicContact CB-CZ 4.24Å; R10-F59 HydrophobicContact CG-CD2 3.94Å; R10-F59 HydrophobicContact CG-CE2 3.71Å; R10-F59 HydrophobicContact CG-CZ 4.11Å
11L89.2Confident84.6Confident115 Ų11571.9 Ų71.960%0.60236%0.363SS*.Hα-helixtrans-61.3-46.7179.3-172.865.6000111D7 H8 M9 L13 L14 T15D7-L11 PolarHBondContact O-N 2.83Å; H8-L11 PolarHBondContact O-N 3.25Å; M9-L11 PolarHBondContact O-N 3.23Å; L11-L13 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.2Å; L11-T15 PolarHBondContact O-N 3.44Å; L11-T15 PolarHBondContact O-OG1 3.12Å
12F89.3Confident84.9Confident32 Ų3275.7 Ų75.714%0.1437%0.373CS..Hα-helixtrans-56.4-49.6176.1173.4-102000112.2H8 M9 T15 V16 L32 V35 F36 E39H8-F12 VanDerWaalsContact O-CB 3.31Å; H8-F12 WeakPolarHBondContact O-CB 3.47Å; H8-F12 PolarHBondContact O-N 2.93Å; M9-F12 PolarHBondContact O-N 2.81Å; M9-F12 HydrophobicContact SD-CD1 4.06Å; F12-T15 PolarHBondContact O-N 3.49Å; F12-V16 HydrophobicContact CD2-CG2 4.45Å; F12-V16 HydrophobicContact CE1-CG2 4.14Å; F12-V16 HydrophobicContact CE2-CG2 4.02Å; F12-V16 HydrophobicContact CZ-CG2 3.86Å; F12-V16 WeakPolarHBondContact O-CG2 3.42Å; F12-V16 PolarHBondContact O-N 3.05Å; F12-L32 HydrophobicContact CE1-CD1 3.9Å; F12-V35 HydrophobicContact CE2-CG1 4.39Å; F12-V35 HydrophobicContact CZ-CB 4.43Å; F12-V35 HydrophobicContact CZ-CG1 3.79Å; F12-F36 HydrophobicContact CB-CD2 3.77Å; F12-F36 HydrophobicContact CB-CE2 4.1Å; F12-F36 HydrophobicContact CD1-CB 3.95Å; F12-F36 AromaticContact CD1-CD2 3.79Å; F12-F36 HydrophobicContact CD1-CD2 3.79Å; F12-F36 HydrophobicContact CD1-CG 4.32Å; F12-F36 HydrophobicContact CD2-CD2 4.41Å; F12-F36 HydrophobicContact CE1-CB 3.89Å; F12-F36 AromaticContact CG-CD2 3.72Å; F12-F36 HydrophobicContact CG-CD2 3.72Å; F12-F36 HydrophobicContact CZ-CB 4.46Å; F12-E39 WeakPolarHBondContact CE2-OE2 3.39Å
13L87.8Confident84.6Confident1 Ų175.7 Ų75.71%0.00537%0.368CS..Hα-helixtrans-62.1-45.8178.4-68.3171.5000111.3M9 R10 L11 T15 V16 L17 L32 V56 F59M9-L13 HydrophobicContact CG-CD1 3.87Å; M9-L13 HydrophobicContact CG-CG 4.25Å; M9-L13 WeakPolarHBondContact O-CB 3.5Å; M9-L13 WeakPolarHBondContact O-CG 3.37Å; M9-L13 PolarHBondContact O-N 2.87Å; M9-L13 HydrophobicContact SD-CD1 4.07Å; M9-L13 HydrophobicContact SD-CD2 4.31Å; M9-L13 HydrophobicContact SD-CG 3.94Å; R10-L13 PolarHBondContact O-N 3.01Å; L11-L13 PolarHBondContact O-N 3.48Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.35Å; L13-V16 PolarHBondContact O-N 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.49Å; L13-L32 HydrophobicContact CD2-CD1 4.08Å; L13-L32 HydrophobicContact CD2-CD2 3.31Å; L13-L32 HydrophobicContact CD2-CG 3.72Å; L13-V56 HydrophobicContact CD1-CB 4.43Å; L13-V56 HydrophobicContact CD1-CG1 3.89Å; L13-V56 HydrophobicContact CD1-CG2 4.27Å; L13-V56 HydrophobicContact CD2-CG1 4.13Å; L13-F59 HydrophobicContact CB-CD1 4.34Å; L13-F59 HydrophobicContact CB-CE1 3.96Å; L13-F59 HydrophobicContact CD1-CD1 3.51Å; L13-F59 HydrophobicContact CD1-CE1 3.98Å; L13-F59 HydrophobicContact CD1-CG 4.43Å
14L88.2Confident84.3Confident68 Ų6874.6 Ų74.636%0.35636%0.356SS..Hα-helixtrans-62.1-38.7177.8-71.6171.4000112.2R10 L11 L17 N18 F59 L63R10-L14 WeakPolarHBondContact O-CB 3.32Å; R10-L14 VanDerWaalsContact O-CG 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.47Å; R10-L14 PolarHBondContact O-N 3.2Å; L11-L14 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 2.65Å; L14-N18 VanDerWaalsContact O-CB 3.32Å; L14-N18 WeakPolarHBondContact O-CB 3.32Å; L14-N18 VanDerWaalsContact O-CG 3.26Å; L14-N18 PolarHBondContact O-N 3.17Å; L14-N18 PolarHBondContact O-ND2 3.05Å; L14-F59 HydrophobicContact CD1-CZ 4.5Å; L14-F59 HydrophobicContact CD2-CZ 4.25Å; L14-F59 HydrophobicContact CG-CZ 4.14Å; L14-L63 HydrophobicContact CD2-CD2 4.34Å
15T86Confident83.9Confident63 Ų6371 Ų7139%0.38736%0.358SS..Hα-helixtrans-62.4-49173.9-60.50000111.1L11 F12 L13 L17 N18 E19L11-T15 PolarHBondContact O-N 3.44Å; L11-T15 PolarHBondContact O-OG1 3.12Å; F12-T15 PolarHBondContact O-N 3.49Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.35Å; T15-L17 VanDerWaalsContact C-N 3.27Å; T15-L17 PolarHBondContact O-N 3.3Å; T15-N18 PolarHBondContact O-N 3.46Å; T15-E19 WeakPolarHBondContact O-CG 3.39Å; T15-E19 PolarHBondContact O-N 2.77Å
16V83.4Confident83.6Confident22 Ų2275.5 Ų75.513%0.13338%0.382CS..Hα-helixtrans-58.1-41.7177.6170.20000111.3F12 L13 E19 D20 L23F12-V16 HydrophobicContact CD2-CG2 4.45Å; F12-V16 HydrophobicContact CE1-CG2 4.14Å; F12-V16 HydrophobicContact CE2-CG2 4.02Å; F12-V16 HydrophobicContact CZ-CG2 3.86Å; F12-V16 WeakPolarHBondContact O-CG2 3.42Å; F12-V16 PolarHBondContact O-N 3.05Å; L13-V16 PolarHBondContact O-N 3.27Å; V16-E19 PolarHBondContact O-N 3.24Å; V16-D20 PolarHBondContact O-N 2.94Å; V16-D20 VanDerWaalsContact O-N 3.08Å; V16-L23 HydrophobicContact CG1-CB 3.91Å; V16-L23 HydrophobicContact CG1-CD1 3.84Å
17L82.8Confident83.3Confident25 Ų2573.1 Ų73.113%0.13138%0.38CS..Hα-helixtrans-70.8-37179.9-67.1173.1000113.9L13 L14 T15 E19 L24 L60 L63L13-L17 WeakPolarHBondContact O-CB 3.14Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.49Å; L14-L17 PolarHBondContact O-N 2.65Å; T15-L17 VanDerWaalsContact C-N 3.27Å; T15-L17 PolarHBondContact O-N 3.3Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-L24 HydrophobicContact CD2-CD1 3.2Å; L17-L24 HydrophobicContact CD2-CD2 3.78Å; L17-L24 HydrophobicContact CD2-CG 3.24Å; L17-L24 HydrophobicContact CG-CD1 4.47Å; L17-L60 HydrophobicContact CD1-CD2 4.16Å; L17-L63 HydrophobicContact CD1-CD2 3.22Å
18N81Confident83.2Confident141 Ų14173.2 Ų73.275%0.75438%0.383SS*.Hα-helixtrans-69.4-33.9175.8-79.1-21.1000111.8L14 T15L14-N18 VanDerWaalsContact O-CB 3.32Å; L14-N18 WeakPolarHBondContact O-CB 3.32Å; L14-N18 VanDerWaalsContact O-CG 3.26Å; L14-N18 PolarHBondContact O-N 3.17Å; L14-N18 PolarHBondContact O-ND2 3.05Å; T15-N18 PolarHBondContact O-N 3.46Å
19E82.5Confident83.1Confident148 Ų14872.9 Ų72.969%0.69238%0.384SS*.Hα-helixtrans-74.4-50.6178.9-73.9-173.6179.300112.5T15 V16 L17T15-E19 WeakPolarHBondContact O-CG 3.39Å; T15-E19 PolarHBondContact O-N 2.77Å; V16-E19 PolarHBondContact O-N 3.24Å; L17-E19 VanDerWaalsContact C-N 3.34Å
20D77.6Confident83.1Confident38 Ų3876.6 Ų76.620%0.20340%0.403CS..  trans-154.1105.9173.5-171.1-12000110.6V16 R22 L23V16-D20 PolarHBondContact O-N 2.94Å; V16-D20 VanDerWaalsContact O-N 3.08Å; D20-R22 PolarHBondContact O-N 3.35Å; D20-R22 VanDerWaalsContact O-N 3.09Å; D20-R22 WeakPolarHBondContact OD1-CB 3.39Å; D20-R22 WeakPolarHBondContact OD1-CG 3.35Å; D20-R22 IonicContact OD1-CZ 3.8Å; D20-R22 PolarHBondContact OD1-N 3.41Å; D20-R22 IonicContact OD1-NE 3.29Å; D20-R22 PolarHBondContact OD1-NE 2.65Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.46Å; D20-R22 IonicContact OD2-NE 2.94Å; D20-R22 PolarHBondContact OD2-NE 3.27Å; D20-R22 IonicContact OD2-NH2 2.77Å; D20-R22 PolarHBondContact OD2-NH2 3.43Å; D20-L23 HydrophobicContact CB-CD1 3.87Å; D20-L23 HydrophobicContact CB-CG 3.96Å; D20-L23 VanDerWaalsContact O-CB 3.29Å; D20-L23 WeakPolarHBondContact O-CB 3.42Å; D20-L23 WeakPolarHBondContact O-CG 3.4Å; D20-L23 PolarHBondContact O-N 2.98Å
21P77.1Confident83.1Confident90 Ų9076.2 Ų76.258%0.58441%0.406SS*.THydrogen-bonded Turntrans-63.9-19.3-179.326-34.3000112.9L23 L24P21-L23 PolarHBondContact O-N 2.89Å; P21-L24 PolarHBondContact O-N 3.38Å
22R80.6Confident83Confident165 Ų16571.3 Ų71.362%0.62338%0.38SS*.THydrogen-bonded Turntrans-70.4-14.1175.5-54.6172.9-63.4173.55.9112.1D20 L24 S25 L26D20-R22 PolarHBondContact O-N 3.35Å; D20-R22 VanDerWaalsContact O-N 3.09Å; D20-R22 WeakPolarHBondContact OD1-CB 3.39Å; D20-R22 WeakPolarHBondContact OD1-CG 3.35Å; D20-R22 IonicContact OD1-CZ 3.8Å; D20-R22 PolarHBondContact OD1-N 3.41Å; D20-R22 IonicContact OD1-NE 3.29Å; D20-R22 PolarHBondContact OD1-NE 2.65Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.46Å; D20-R22 IonicContact OD2-NE 2.94Å; D20-R22 PolarHBondContact OD2-NE 3.27Å; D20-R22 IonicContact OD2-NH2 2.77Å; D20-R22 PolarHBondContact OD2-NH2 3.43Å; R22-L24 PolarHBondContact O-N 3Å; R22-S25 PolarHBondContact O-N 3.41Å; R22-S25 VanDerWaalsContact O-N 3.1Å; R22-S25 PolarHBondContact O-OG 3.42Å; R22-L26 WeakPolarHBondContact O-CG 3.18Å; R22-L26 PolarHBondContact O-N 3.37Å
23L75.3Confident82.9Confident56 Ų5669.8 Ų69.829%0.29337%0.373SS..Hα-helixtrans-61.7-28.9174.3-72.3167.2000112V16 D20 P21 S25 L26 C27V16-L23 HydrophobicContact CG1-CB 3.91Å; V16-L23 HydrophobicContact CG1-CD1 3.84Å; D20-L23 HydrophobicContact CB-CD1 3.87Å; D20-L23 HydrophobicContact CB-CG 3.96Å; D20-L23 VanDerWaalsContact O-CB 3.29Å; D20-L23 WeakPolarHBondContact O-CB 3.42Å; D20-L23 WeakPolarHBondContact O-CG 3.4Å; D20-L23 PolarHBondContact O-N 2.98Å; P21-L23 PolarHBondContact O-N 2.89Å; L23-S25 VanDerWaalsContact C-N 3.33Å; L23-S25 PolarHBondContact O-N 3.38Å; L23-L26 PolarHBondContact O-N 3.43Å; L23-C27 VanDerWaalsContact O-CB 3.29Å; L23-C27 WeakPolarHBondContact O-CB 3.21Å; L23-C27 PolarHBondContact O-N 3.43Å
24L75.4Confident82.9Confident52 Ų5272 Ų7227%0.27239%0.389SS..Hα-helixtrans-66.4-32.9173.9-71.8-173.8000113.8L17 P21 R22 L26 L32 L60L17-L24 HydrophobicContact CD2-CD1 3.2Å; L17-L24 HydrophobicContact CD2-CD2 3.78Å; L17-L24 HydrophobicContact CD2-CG 3.24Å; L17-L24 HydrophobicContact CG-CD1 4.47Å; P21-L24 PolarHBondContact O-N 3.38Å; R22-L24 PolarHBondContact O-N 3Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L32 HydrophobicContact CD2-CD2 4.08Å; L24-L60 HydrophobicContact CD1-CD2 4.09Å; L24-L60 HydrophobicContact CD2-CD1 3.92Å; L24-L60 HydrophobicContact CD2-CD2 3.88Å
25S77.9Confident82.9Confident102 Ų10272 Ų7271%0.71339%0.392SS*.Hα-helixtrans-80.6-21.9178.461.30000112.1R22 L23R22-S25 PolarHBondContact O-N 3.41Å; R22-S25 VanDerWaalsContact O-N 3.1Å; R22-S25 PolarHBondContact O-OG 3.42Å; L23-S25 VanDerWaalsContact C-N 3.33Å; L23-S25 PolarHBondContact O-N 3.38Å
26L79.6Confident83.1Confident129 Ų12969.1 Ų69.168%0.67537%0.374SS*.Hα-helixtrans-91.2-26.2179.4-66.8172.5000113.5R22 L23 L24R22-L26 WeakPolarHBondContact O-CG 3.18Å; R22-L26 PolarHBondContact O-N 3.37Å; L23-L26 PolarHBondContact O-N 3.43Å; L24-L26 VanDerWaalsContact C-N 3.34Å
27C81.2Confident83.4Confident49 Ų4969.2 Ų69.233%0.33138%0.375SS..SBendtrans-105.1128.5-177.9-65.90000111.2L23L23-C27 VanDerWaalsContact O-CB 3.29Å; L23-C27 WeakPolarHBondContact O-CB 3.21Å; L23-C27 PolarHBondContact O-N 3.43Å
28T86.4Confident83.7Confident78 Ų7875.5 Ų75.548%0.47940%0.403SS..  trans-66.6154.2167.5640000110.4N30 E31 L32T28-N30 PolarHBondContact O-N 3.12Å; T28-N30 VanDerWaalsContact O-N 3.09Å; T28-E31 WeakPolarHBondContact CB-OE2 3.43Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.35Å; T28-E31 PolarHBondContact N-OE2 3.38Å; T28-E31 PolarHBondContact O-N 3.41Å; T28-E31 VanDerWaalsContact OG1-CD 3.29Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.4Å; T28-E31 PolarHBondContact OG1-N 2.76Å; T28-E31 PolarHBondContact OG1-OE2 2.91Å; T28-L32 PolarHBondContact O-N 3.48Å
29L87Confident83.9Confident61 Ų6174.2 Ų74.232%0.31939%0.393SS..Hα-helixtrans-52.4-34.8173.6-177.466.2000112.2T33 K53 V56 C57L29-T33 WeakPolarHBondContact O-CB 3.44Å; L29-T33 PolarHBondContact O-N 2.96Å; L29-T33 VanDerWaalsContact O-N 3.07Å; L29-T33 PolarHBondContact O-OG1 3.39Å; L29-K53 HydrophobicContact CD2-CB 4.21Å; L29-K53 HydrophobicContact CG-CB 4.5Å; L29-V56 HydrophobicContact CD1-CB 3.73Å; L29-V56 HydrophobicContact CD1-CG1 3.37Å; L29-C57 HydrophobicContact CD1-CB 4.35Å; L29-C57 HydrophobicContact CD2-CB 3.9Å
30N88Confident84Confident78 Ų7870.9 Ų70.942%0.41738%0.378SS..Hα-helixtrans-70.9-42.7179.1-168.962.6000112.2T28 S34 Y49T28-N30 PolarHBondContact O-N 3.12Å; T28-N30 VanDerWaalsContact O-N 3.09Å; N30-S34 VanDerWaalsContact O-CB 3.32Å; N30-S34 WeakPolarHBondContact O-CB 3.29Å; N30-S34 PolarHBondContact O-N 2.82Å; N30-S34 PolarHBondContact O-OG 3.49Å; N30-Y49 PolarHBondContact O-OH 3.29Å; N30-Y49 WeakPolarHBondContact OD1-CE1 3.38Å; N30-Y49 PolarHBondContact OD1-OH 2.93Å
31E88.2Confident84.5Confident87 Ų8776.1 Ų76.141%0.40741%0.406SS..Hα-helixtrans-64.5-46.7175.9-73163.213800110.9T28 T33 S34 V35T28-E31 WeakPolarHBondContact CB-OE2 3.43Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.35Å; T28-E31 PolarHBondContact N-OE2 3.38Å; T28-E31 PolarHBondContact O-N 3.41Å; T28-E31 VanDerWaalsContact OG1-CD 3.29Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.4Å; T28-E31 PolarHBondContact OG1-N 2.76Å; T28-E31 PolarHBondContact OG1-OE2 2.91Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.06Å; E31-S34 WeakPolarHBondContact O-CB 3.43Å; E31-S34 PolarHBondContact O-N 2.81Å; E31-S34 VanDerWaalsContact O-N 3.08Å; E31-V35 VanDerWaalsContact O-CG2 3.32Å; E31-V35 WeakPolarHBondContact O-CG2 3.39Å; E31-V35 PolarHBondContact O-N 2.96Å
32L87.1Confident84.9Confident12 Ų1273.7 Ų73.76%0.06339%0.388CS..Hα-helixtrans-59.4-43.4179.6-171.161.7000111.9F12 L13 L24 T28 F36 V56 L60F12-L32 HydrophobicContact CE1-CD1 3.9Å; L13-L32 HydrophobicContact CD2-CD1 4.08Å; L13-L32 HydrophobicContact CD2-CD2 3.31Å; L13-L32 HydrophobicContact CD2-CG 3.72Å; L24-L32 HydrophobicContact CD2-CD2 4.08Å; T28-L32 PolarHBondContact O-N 3.48Å; L32-F36 PolarHBondContact O-N 3.11Å; L32-V56 HydrophobicContact CD2-CG1 4.19Å; L32-L60 HydrophobicContact CD2-CD1 4.17Å
33T87.6Confident85.2Confident0 Ų075 Ų750%040%0.401CS..Hα-helixtrans-66.7-40175.7-52.50000111.4M9 L29 E31 F36 V37 Y49 L52 K53M9-T33 HydrophobicContact CE-CG2 4.39Å; L29-T33 WeakPolarHBondContact O-CB 3.44Å; L29-T33 PolarHBondContact O-N 2.96Å; L29-T33 VanDerWaalsContact O-N 3.07Å; L29-T33 PolarHBondContact O-OG1 3.39Å; E31-T33 VanDerWaalsContact C-N 3.3Å; E31-T33 PolarHBondContact O-N 3.06Å; T33-F36 PolarHBondContact O-N 3.37Å; T33-V37 HydrophobicContact CG2-CG2 4.45Å; T33-V37 WeakPolarHBondContact O-CG2 3.29Å; T33-V37 PolarHBondContact O-N 3.34Å; T33-Y49 HydrophobicContact CG2-CD2 4.07Å; T33-Y49 HydrophobicContact CG2-CE2 3.52Å; T33-L52 HydrophobicContact CG2-CB 4.31Å; T33-L52 HydrophobicContact CG2-CD2 3.58Å; T33-L52 HydrophobicContact CG2-CG 3.79Å; T33-K53 HydrophobicContact CG2-CG 4.05Å
34S88.5Confident85.7Confident48 Ų4874.6 Ų74.634%0.33640%0.399SS..Hα-helixtrans-64.8-43178.5-62.70000112.1N30 E31 F36 V37 Q38 Y49N30-S34 VanDerWaalsContact O-CB 3.32Å; N30-S34 WeakPolarHBondContact O-CB 3.29Å; N30-S34 PolarHBondContact O-N 2.82Å; N30-S34 PolarHBondContact O-OG 3.49Å; E31-S34 WeakPolarHBondContact O-CB 3.43Å; E31-S34 PolarHBondContact O-N 2.81Å; E31-S34 VanDerWaalsContact O-N 3.08Å; S34-F36 PolarHBondContact O-N 3.05Å; S34-V37 PolarHBondContact O-N 2.81Å; S34-Q38 WeakPolarHBondContact O-CB 3.24Å; S34-Q38 PolarHBondContact O-N 3.13Å; S34-Y49 PolarHBondContact OG-OH 3.38Å
35V88.6Confident86.4Confident69 Ų6975.5 Ų75.542%0.41841%0.409SS..Hα-helixtrans-59.4-48.1176.7172.60000110F12 E31 V37 Q38 E39F12-V35 HydrophobicContact CE2-CG1 4.39Å; F12-V35 HydrophobicContact CZ-CB 4.43Å; F12-V35 HydrophobicContact CZ-CG1 3.79Å; E31-V35 VanDerWaalsContact O-CG2 3.32Å; E31-V35 WeakPolarHBondContact O-CG2 3.39Å; E31-V35 PolarHBondContact O-N 2.96Å; V35-V37 PolarHBondContact O-N 3.33Å; V35-Q38 PolarHBondContact O-N 3.19Å; V35-E39 VanDerWaalsContact O-CB 3.31Å; V35-E39 WeakPolarHBondContact O-CB 3.45Å; V35-E39 PolarHBondContact O-N 3.34Å
36F89.3Confident86.9Confident1 Ų179.1 Ų79.10%0.00442%0.415CS..Hα-helixtrans-58.7-46.4176.7173.1-95.5000112.6I5 H8 M9 F12 L32 T33 S34 Q38 E39 M40 I42 L52I5-F36 HydrophobicContact CG2-CE1 4.15Å; I5-F36 HydrophobicContact CG2-CZ 4.46Å; H8-F36 HydrophobicContact CB-CE2 4.09Å; H8-F36 HydrophobicContact CB-CZ 4.03Å; M9-F36 VanDerWaalsContact CA-CE2 3.43Å; M9-F36 HydrophobicContact CB-CD2 4.4Å; M9-F36 HydrophobicContact CB-CE1 4.23Å; M9-F36 HydrophobicContact CB-CE2 3.93Å; M9-F36 HydrophobicContact CB-CZ 3.81Å; M9-F36 HydrophobicContact CE-CB 3.53Å; M9-F36 HydrophobicContact CE-CD1 3.17Å; M9-F36 HydrophobicContact CE-CD2 3.99Å; M9-F36 HydrophobicContact CE-CE1 3.79Å; M9-F36 HydrophobicContact CE-CG 3.26Å; M9-F36 HydrophobicContact CE-CZ 4.41Å; M9-F36 HydrophobicContact SD-CB 3.91Å; M9-F36 HydrophobicContact SD-CD1 4.05Å; M9-F36 HydrophobicContact SD-CD2 3.73Å; M9-F36 HydrophobicContact SD-CE1 4.49Å; M9-F36 HydrophobicContact SD-CE2 4.23Å; M9-F36 HydrophobicContact SD-CG 3.6Å; F12-F36 HydrophobicContact CB-CD2 3.77Å; F12-F36 HydrophobicContact CB-CE2 4.1Å; F12-F36 HydrophobicContact CD1-CB 3.95Å; F12-F36 AromaticContact CD1-CD2 3.79Å; F12-F36 HydrophobicContact CD1-CD2 3.79Å; F12-F36 HydrophobicContact CD1-CG 4.32Å; F12-F36 HydrophobicContact CD2-CD2 4.41Å; F12-F36 HydrophobicContact CE1-CB 3.89Å; F12-F36 AromaticContact CG-CD2 3.72Å; F12-F36 HydrophobicContact CG-CD2 3.72Å; F12-F36 HydrophobicContact CZ-CB 4.46Å; L32-F36 PolarHBondContact O-N 3.11Å; T33-F36 PolarHBondContact O-N 3.37Å; S34-F36 PolarHBondContact O-N 3.05Å; F36-Q38 VanDerWaalsContact C-N 3.29Å; F36-Q38 PolarHBondContact O-N 3.04Å; F36-E39 PolarHBondContact O-N 3.25Å; F36-M40 HydrophobicContact CD2-CG 3.95Å; F36-M40 HydrophobicContact CE1-CG 4.24Å; F36-M40 HydrophobicContact CE2-CG 3.56Å; F36-M40 HydrophobicContact CE2-SD 4.42Å; F36-M40 HydrophobicContact CG-CG 4.45Å; F36-M40 HydrophobicContact CZ-CG 3.74Å; F36-M40 WeakPolarHBondContact O-CB 3.49Å; F36-M40 WeakPolarHBondContact O-CG 3.27Å; F36-M40 PolarHBondContact O-N 3.02Å; F36-I42 HydrophobicContact CE1-CD1 4.07Å; F36-I42 HydrophobicContact CZ-CD1 4.44Å; F36-L52 HydrophobicContact CD1-CD2 4.05Å; F36-L52 HydrophobicContact CE1-CD2 4.24Å
37V89.7Confident87.4Confident25 Ų2580.2 Ų80.215%0.15241%0.414CS..Hα-helixtrans-62.4-40.4-179.1170.70000111T33 S34 V35 N41 I42 L44 Y49 L52T33-V37 HydrophobicContact CG2-CG2 4.45Å; T33-V37 WeakPolarHBondContact O-CG2 3.29Å; T33-V37 PolarHBondContact O-N 3.34Å; S34-V37 PolarHBondContact O-N 2.81Å; V35-V37 PolarHBondContact O-N 3.33Å; V37-N41 PolarHBondContact O-N 2.92Å; V37-I42 WeakPolarHBondContact CG1-O 3.37Å; V37-I42 PolarHBondContact O-N 2.9Å; V37-L44 HydrophobicContact CG2-CD1 3.61Å; V37-L44 HydrophobicContact CG2-CG 4.48Å; V37-Y49 HydrophobicContact CG2-CD2 4.2Å; V37-Y49 HydrophobicContact CG2-CE2 4.16Å; V37-L52 HydrophobicContact CG2-CD2 3.9Å
38Q88.9Confident87.8Confident157 Ų15779.7 Ų79.773%0.73441%0.411SS*.Hα-helixtrans-68.9-44.7176.7-173.8175.417.900112.1S34 V35 F36 N41S34-Q38 WeakPolarHBondContact O-CB 3.24Å; S34-Q38 PolarHBondContact O-N 3.13Å; V35-Q38 PolarHBondContact O-N 3.19Å; F36-Q38 VanDerWaalsContact C-N 3.29Å; F36-Q38 PolarHBondContact O-N 3.04Å; Q38-N41 PolarHBondContact O-N 3.18Å
39E85.3Confident87.9Confident114 Ų11478 Ų7853%0.53340%0.396SS..Hα-helixtrans-66.8-38.6-178.1-176.6159.4-161.500112.1F12 V35 F36 N41F12-E39 WeakPolarHBondContact CE2-OE2 3.39Å; V35-E39 VanDerWaalsContact O-CB 3.31Å; V35-E39 WeakPolarHBondContact O-CB 3.45Å; V35-E39 PolarHBondContact O-N 3.34Å; F36-E39 PolarHBondContact O-N 3.25Å; E39-N41 VanDerWaalsContact C-N 3.25Å; E39-N41 PolarHBondContact O-N 3.28Å
40M85.5Confident88.1Confident78 Ų7878.2 Ų78.238%0.38440%0.403SS..THydrogen-bonded Turntrans-81.9-4176.2-65.9-61.6-60.400113.4H8 F36 I42H8-M40 HydrophobicContact CB-CE 4.19Å; H8-M40 WeakPolarHBondContact CD2-CE 3.39Å; F36-M40 HydrophobicContact CD2-CG 3.95Å; F36-M40 HydrophobicContact CE1-CG 4.24Å; F36-M40 HydrophobicContact CE2-CG 3.56Å; F36-M40 HydrophobicContact CE2-SD 4.42Å; F36-M40 HydrophobicContact CG-CG 4.45Å; F36-M40 HydrophobicContact CZ-CG 3.74Å; F36-M40 WeakPolarHBondContact O-CB 3.49Å; F36-M40 WeakPolarHBondContact O-CG 3.27Å; F36-M40 PolarHBondContact O-N 3.02Å; M40-I42 VanDerWaalsContact C-N 3.29Å; M40-I42 HydrophobicContact CB-CD1 3.46Å; M40-I42 VanDerWaalsContact CB-CD1 3.46Å; M40-I42 HydrophobicContact CB-CG1 3.57Å; M40-I42 HydrophobicContact CG-CD1 4.23Å; M40-I42 PolarHBondContact O-N 3.4Å
41N87.5Confident88.2Confident147 Ų14779.8 Ų79.879%0.78641%0.406SS*.THydrogen-bonded Turntrans49.148.3-175.3-168.649.4000112.4V37 Q38 E39V37-N41 PolarHBondContact O-N 2.92Å; Q38-N41 PolarHBondContact O-N 3.18Å; E39-N41 VanDerWaalsContact C-N 3.25Å; E39-N41 PolarHBondContact O-N 3.28Å
42I85.8Confident88.3Confident40 Ų4075.6 Ų75.621%0.20539%0.387CS..  trans-100.8130.6-178-56.9170.6000109.2I5 F36 V37 M40 L44I5-I42 HydrophobicContact CG1-CD1 4.31Å; F36-I42 HydrophobicContact CE1-CD1 4.07Å; F36-I42 HydrophobicContact CZ-CD1 4.44Å; V37-I42 WeakPolarHBondContact CG1-O 3.37Å; V37-I42 PolarHBondContact O-N 2.9Å; M40-I42 VanDerWaalsContact C-N 3.29Å; M40-I42 HydrophobicContact CB-CD1 3.46Å; M40-I42 VanDerWaalsContact CB-CD1 3.46Å; M40-I42 HydrophobicContact CB-CG1 3.57Å; M40-I42 HydrophobicContact CG-CD1 4.23Å; M40-I42 PolarHBondContact O-N 3.4Å; I42-L44 HydrophobicContact CG2-CD2 3.6Å; I42-L44 HydrophobicContact CG2-CG 3.79Å
43E86.5Confident88.5Confident193 Ų19378.1 Ų78.190%0.90240%0.397SS*.  trans-88.9116166.7-67.8-179.6-175.200109.6
44L86.4Confident88.7Confident47 Ų4784.8 Ų84.825%0.24643%0.428CS..  trans-112.6133178.2-66.6179.9000110.5V37 I42 Y49 L52V37-L44 HydrophobicContact CG2-CD1 3.61Å; V37-L44 HydrophobicContact CG2-CG 4.48Å; I42-L44 HydrophobicContact CG2-CD2 3.6Å; I42-L44 HydrophobicContact CG2-CG 3.79Å; L44-Y49 HydrophobicContact CD1-CD2 4.39Å; L44-L52 HydrophobicContact CD1-CD2 3.58Å
45S89.4Confident88.9Confident70 Ų7083.8 Ų83.849%0.4942%0.418SS..  trans-62.7153.3164.162.40000110.7K47 S48 Y49S45-K47 PolarHBondContact O-N 2.78Å; S45-K47 VanDerWaalsContact O-N 3.16Å; S45-S48 CarbonylContact O-C 3.57Å; S45-S48 WeakPolarHBondContact O-CA 3.28Å; S45-S48 WeakPolarHBondContact O-CB 3.31Å; S45-S48 PolarHBondContact O-N 3Å; S45-S48 PolarHBondContact OG-N 3.34Å; S45-S48 PolarHBondContact OG-OG 2.94Å; S45-Y49 PolarHBondContact O-N 3.37Å
46E89.4Confident88.9Confident179 Ų17980.5 Ų80.584%0.83640%0.398SS*.Hα-helixtrans-52.2-41.6179.8-171.5-178.6179.900112.4S48 Y49 S50E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 3.04Å; E46-Y49 PolarHBondContact O-N 2.83Å; E46-S50 WeakPolarHBondContact O-CB 3.33Å; E46-S50 PolarHBondContact O-N 3.28Å
47K89.6Confident89Confident152 Ų15283.7 Ų83.766%0.66142%0.419SS*.Hα-helixtrans-61.9-38.5174.4-172.5175-175.41740112.7S45 K51S45-K47 PolarHBondContact O-N 2.78Å; S45-K47 VanDerWaalsContact O-N 3.16Å; K47-K51 WeakPolarHBondContact O-CG 3.36Å; K47-K51 PolarHBondContact O-N 3.45Å
48S88.6Confident88.9Confident38 Ų3884.9 Ų84.927%0.26643%0.429SS..Hα-helixtrans-74.6-38.3178.7-57.80000111.7S45 E46 K51 L52S45-S48 CarbonylContact O-C 3.57Å; S45-S48 WeakPolarHBondContact O-CA 3.28Å; S45-S48 WeakPolarHBondContact O-CB 3.31Å; S45-S48 PolarHBondContact O-N 3Å; S45-S48 PolarHBondContact OG-N 3.34Å; S45-S48 PolarHBondContact OG-OG 2.94Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 3.04Å; S48-K51 PolarHBondContact O-N 3.18Å; S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 3.17Å
49Y89.3Confident88.9Confident41 Ų4179.1 Ų79.116%0.16140%0.401CS..Hα-helixtrans-62.4-42.8174-173.4-96000111.4N30 T33 S34 V37 L44 S45 E46 K51 L52 K53N30-Y49 PolarHBondContact O-OH 3.29Å; N30-Y49 WeakPolarHBondContact OD1-CE1 3.38Å; N30-Y49 PolarHBondContact OD1-OH 2.93Å; T33-Y49 HydrophobicContact CG2-CD2 4.07Å; T33-Y49 HydrophobicContact CG2-CE2 3.52Å; S34-Y49 PolarHBondContact OG-OH 3.38Å; V37-Y49 HydrophobicContact CG2-CD2 4.2Å; V37-Y49 HydrophobicContact CG2-CE2 4.16Å; L44-Y49 HydrophobicContact CD1-CD2 4.39Å; S45-Y49 PolarHBondContact O-N 3.37Å; E46-Y49 PolarHBondContact O-N 2.83Å; Y49-K51 PolarHBondContact O-N 3.43Å; Y49-L52 WeakPolarHBondContact O-CB 3.2Å; Y49-L52 PolarHBondContact O-N 3.49Å; Y49-K53 HydrophobicContact CD1-CD 4.13Å; Y49-K53 HydrophobicContact CD1-CG 4.32Å; Y49-K53 HydrophobicContact CE1-CD 3.61Å; Y49-K53 HydrophobicContact CE1-CG 3.99Å; Y49-K53 PolarHBondContact O-N 2.96Å
50S90.3Very high89Confident66 Ų6674.8 Ų74.846%0.46238%0.382SS..Hα-helixtrans-61.7-43.7174.1-172.30000112.6E46 L52 K53 H54E46-S50 WeakPolarHBondContact O-CB 3.33Å; E46-S50 PolarHBondContact O-N 3.28Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 3.08Å; S50-K53 PolarHBondContact O-N 2.76Å; S50-H54 PolarHBondContact O-N 3.14Å
51K91.8Very high89Confident111 Ų11178.1 Ų78.148%0.48339%0.391SS..Hα-helixtrans-61.1-37173.3-74.4179.8179.3-169.50112.6K47 S48 Y49 F55K47-K51 WeakPolarHBondContact O-CG 3.36Å; K47-K51 PolarHBondContact O-N 3.45Å; S48-K51 PolarHBondContact O-N 3.18Å; Y49-K51 PolarHBondContact O-N 3.43Å; K51-F55 WeakPolarHBondContact O-CB 3.35Å; K51-F55 PolarHBondContact O-N 2.96Å
52L90.4Very high88.9Confident0 Ų075.2 Ų75.20%038%0.375CS..Hα-helixtrans-67-46.1176.5-175.961.6000111M1 I5 M9 T33 F36 V37 L44 S48 Y49 S50 H54 F55 V56M1-L52 HydrophobicContact SD-CB 4.1Å; M1-L52 HydrophobicContact SD-CD1 3.73Å; I5-L52 HydrophobicContact CG2-CD1 4.19Å; M9-L52 HydrophobicContact CB-CD1 4.4Å; M9-L52 HydrophobicContact CE-CD1 3.64Å; M9-L52 HydrophobicContact CE-CD2 3.69Å; M9-L52 HydrophobicContact CE-CG 3.7Å; M9-L52 HydrophobicContact CG-CD1 4.25Å; T33-L52 HydrophobicContact CG2-CB 4.31Å; T33-L52 HydrophobicContact CG2-CD2 3.58Å; T33-L52 HydrophobicContact CG2-CG 3.79Å; F36-L52 HydrophobicContact CD1-CD2 4.05Å; F36-L52 HydrophobicContact CE1-CD2 4.24Å; V37-L52 HydrophobicContact CG2-CD2 3.9Å; L44-L52 HydrophobicContact CD1-CD2 3.58Å; S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 3.17Å; Y49-L52 WeakPolarHBondContact O-CB 3.2Å; Y49-L52 PolarHBondContact O-N 3.49Å; S50-L52 VanDerWaalsContact C-N 3.29Å; S50-L52 PolarHBondContact O-N 3.08Å; L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 2.78Å; L52-F55 HydrophobicContact CD1-CD1 4.37Å; L52-F55 WeakPolarHBondContact O-CB 3.44Å; L52-F55 PolarHBondContact O-N 3.07Å; L52-F55 VanDerWaalsContact O-N 3.09Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.35Å
53K91.1Very high88.8Confident64 Ų6476.8 Ų76.828%0.27838%0.384SS..Hα-helixtrans-56.1-46.2173.9-73.7-170.2-66.6-177.70112L29 T33 Y49 S50 F55 V56 C57L29-K53 HydrophobicContact CD2-CB 4.21Å; L29-K53 HydrophobicContact CG-CB 4.5Å; T33-K53 HydrophobicContact CG2-CG 4.05Å; Y49-K53 HydrophobicContact CD1-CD 4.13Å; Y49-K53 HydrophobicContact CD1-CG 4.32Å; Y49-K53 HydrophobicContact CE1-CD 3.61Å; Y49-K53 HydrophobicContact CE1-CG 3.99Å; Y49-K53 PolarHBondContact O-N 2.96Å; S50-K53 PolarHBondContact O-N 2.76Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 3.3Å; K53-V56 PolarHBondContact O-N 2.86Å; K53-C57 WeakPolarHBondContact O-CB 3.12Å; K53-C57 PolarHBondContact O-N 3.16Å
54H91.4Very high88.5Confident141 Ų14174.1 Ų74.165%0.65337%0.373SS*.Hα-helixtrans-60.7-41.3176.7-173.1-69000111.7S50 L52 S58S50-H54 PolarHBondContact O-N 3.14Å; L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 2.78Å; H54-S58 WeakPolarHBondContact O-CB 3.42Å; H54-S58 PolarHBondContact O-N 2.92Å
55F91.3Very high88.1Confident27 Ų2776.1 Ų76.112%0.11838%0.384CS..Hα-helixtrans-63.1-47.3175.6171.3-99.9000112.3M1 R6 M9 R10 K51 L52 K53 C57 S58 F59M1-F55 HydrophobicContact CE-CB 3.72Å; M1-F55 HydrophobicContact CE-CD1 4.41Å; M1-F55 HydrophobicContact CE-CD2 4.32Å; M1-F55 HydrophobicContact CE-CG 3.89Å; R6-F55 HydrophobicContact CB-CE1 3.98Å; R6-F55 HydrophobicContact CB-CE2 3.98Å; R6-F55 HydrophobicContact CB-CZ 3.61Å; R6-F55 HydrophobicContact CG-CD1 4.32Å; R6-F55 HydrophobicContact CG-CD2 4.05Å; R6-F55 HydrophobicContact CG-CE1 4.14Å; R6-F55 HydrophobicContact CG-CE2 3.86Å; R6-F55 HydrophobicContact CG-CG 4.26Å; R6-F55 HydrophobicContact CG-CZ 3.9Å; M9-F55 HydrophobicContact CB-CE1 4.11Å; M9-F55 HydrophobicContact CG-CD1 4.22Å; M9-F55 HydrophobicContact CG-CE1 4.03Å; R10-F55 HydrophobicContact CG-CE1 4.27Å; R10-F55 HydrophobicContact CG-CZ 3.8Å; K51-F55 WeakPolarHBondContact O-CB 3.35Å; K51-F55 PolarHBondContact O-N 2.96Å; L52-F55 HydrophobicContact CD1-CD1 4.37Å; L52-F55 WeakPolarHBondContact O-CB 3.44Å; L52-F55 PolarHBondContact O-N 3.07Å; L52-F55 VanDerWaalsContact O-N 3.09Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 3.3Å; F55-C57 VanDerWaalsContact C-N 3.34Å; F55-C57 PolarHBondContact O-N 3.09Å; F55-S58 PolarHBondContact O-N 3.19Å; F55-F59 VanDerWaalsContact O-CB 3.31Å; F55-F59 WeakPolarHBondContact O-CB 3.48Å; F55-F59 PolarHBondContact O-N 3.42Å
56V90.5Very high87.1Confident0 Ų077.1 Ų77.10%038%0.384CS..Hα-helixtrans-60.1-45.9177.8175.20000110.5M9 L13 L29 L32 L52 K53 S58 F59 L60M9-V56 HydrophobicContact CE-CG2 3.52Å; M9-V56 HydrophobicContact CG-CG2 3.69Å; M9-V56 HydrophobicContact SD-CG2 3.71Å; L13-V56 HydrophobicContact CD1-CB 4.43Å; L13-V56 HydrophobicContact CD1-CG1 3.89Å; L13-V56 HydrophobicContact CD1-CG2 4.27Å; L13-V56 HydrophobicContact CD2-CG1 4.13Å; L29-V56 HydrophobicContact CD1-CB 3.73Å; L29-V56 HydrophobicContact CD1-CG1 3.37Å; L32-V56 HydrophobicContact CD2-CG1 4.19Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.35Å; K53-V56 PolarHBondContact O-N 2.86Å; V56-S58 PolarHBondContact O-N 3.48Å; V56-F59 PolarHBondContact O-N 2.85Å; V56-L60 HydrophobicContact CG1-CD1 3.84Å; V56-L60 HydrophobicContact CG1-CG 4.29Å; V56-L60 WeakPolarHBondContact O-CB 3.2Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 2.83Å
57C89.5Confident85.2Confident68 Ų6878 Ų7846%0.45939%0.388SS..Hα-helixtrans-59.4-49.1177.7-170.60000111.7L29 K53 F55 F59 L60 Y61L29-C57 HydrophobicContact CD1-CB 4.35Å; L29-C57 HydrophobicContact CD2-CB 3.9Å; K53-C57 WeakPolarHBondContact O-CB 3.12Å; K53-C57 PolarHBondContact O-N 3.16Å; F55-C57 VanDerWaalsContact C-N 3.34Å; F55-C57 PolarHBondContact O-N 3.09Å; C57-F59 VanDerWaalsContact C-N 3.34Å; C57-F59 PolarHBondContact O-N 3.43Å; C57-L60 PolarHBondContact O-N 3.01Å; C57-Y61 VanDerWaalsContact O-CB 3.29Å; C57-Y61 WeakPolarHBondContact O-CB 3.43Å; C57-Y61 PolarHBondContact O-N 2.84Å
58S88.5Confident82.8Confident50 Ų5073.3 Ų73.335%0.3538%0.383SS..Hα-helixtrans-63.4-39.4177.7175.70000112.4H54 F55 V56 N62H54-S58 WeakPolarHBondContact O-CB 3.42Å; H54-S58 PolarHBondContact O-N 2.92Å; F55-S58 PolarHBondContact O-N 3.19Å; V56-S58 PolarHBondContact O-N 3.48Å; S58-N62 WeakPolarHBondContact O-CB 3.35Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 3.18Å; S58-N62 PolarHBondContact O-OD1 3.02Å
59F88.4Confident80.5Confident36 Ų3675.8 Ų75.816%0.15840%0.396CS..Hα-helixtrans-64.8-47.3177.3177.5-100.6000111.7R10 L13 L14 F55 V56 C57 N62 L63R10-F59 HydrophobicContact CB-CE2 4.3Å; R10-F59 HydrophobicContact CB-CZ 4.24Å; R10-F59 HydrophobicContact CG-CD2 3.94Å; R10-F59 HydrophobicContact CG-CE2 3.71Å; R10-F59 HydrophobicContact CG-CZ 4.11Å; L13-F59 HydrophobicContact CB-CD1 4.34Å; L13-F59 HydrophobicContact CB-CE1 3.96Å; L13-F59 HydrophobicContact CD1-CD1 3.51Å; L13-F59 HydrophobicContact CD1-CE1 3.98Å; L13-F59 HydrophobicContact CD1-CG 4.43Å; L14-F59 HydrophobicContact CD1-CZ 4.5Å; L14-F59 HydrophobicContact CD2-CZ 4.25Å; L14-F59 HydrophobicContact CG-CZ 4.14Å; F55-F59 VanDerWaalsContact O-CB 3.31Å; F55-F59 WeakPolarHBondContact O-CB 3.48Å; F55-F59 PolarHBondContact O-N 3.42Å; V56-F59 PolarHBondContact O-N 2.85Å; C57-F59 VanDerWaalsContact C-N 3.34Å; C57-F59 PolarHBondContact O-N 3.43Å; F59-N62 PolarHBondContact O-N 3.17Å; F59-L63 HydrophobicContact CE1-CD2 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 PolarHBondContact O-N 2.83Å
60L87.4Confident77.9Confident22 Ų2278.6 Ų78.612%0.11542%0.417CS..Hα-helixtrans-65.4-40.5177.8-68.9176.2000111.8L17 L24 L32 V56 C57 L63 M64L17-L60 HydrophobicContact CD1-CD2 4.16Å; L24-L60 HydrophobicContact CD1-CD2 4.09Å; L24-L60 HydrophobicContact CD2-CD1 3.92Å; L24-L60 HydrophobicContact CD2-CD2 3.88Å; L32-L60 HydrophobicContact CD2-CD1 4.17Å; V56-L60 HydrophobicContact CG1-CD1 3.84Å; V56-L60 HydrophobicContact CG1-CG 4.29Å; V56-L60 WeakPolarHBondContact O-CB 3.2Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 2.83Å; C57-L60 PolarHBondContact O-N 3.01Å; L60-L63 PolarHBondContact O-N 3.01Å; L60-M64 WeakPolarHBondContact O-CB 3.34Å; L60-M64 VanDerWaalsContact O-CG 3.3Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.12Å
61Y85.4Confident75.4Confident148 Ų14881.9 Ų81.958%0.5844%0.435SS*.Hα-helixtrans-59.8-47.5174.5-179-93.4000111.2C57 L63 M64 N65C57-Y61 VanDerWaalsContact O-CB 3.29Å; C57-Y61 WeakPolarHBondContact O-CB 3.43Å; C57-Y61 PolarHBondContact O-N 2.84Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.09Å; Y61-M64 PolarHBondContact O-N 2.9Å; Y61-N65 WeakPolarHBondContact CD1-ND2 3.31Å; Y61-N65 WeakPolarHBondContact CD2-ND2 3.48Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.27Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.42Å; Y61-N65 VanDerWaalsContact CG-ND2 3.32Å; Y61-N65 WeakPolarHBondContact O-CB 3.27Å; Y61-N65 PolarHBondContact O-N 3.08Å; Y61-N65 PolarHBondContact O-ND2 2.91Å
62N85.8Confident72.4Confident86 Ų8683.1 Ų83.146%0.4645%0.447SS..Hα-helixtrans-62.2-44.1177.1-69.1-9.6000110.9S58 F59 M64 N65 D66S58-N62 WeakPolarHBondContact O-CB 3.35Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 3.18Å; S58-N62 PolarHBondContact O-OD1 3.02Å; F59-N62 PolarHBondContact O-N 3.17Å; N62-M64 VanDerWaalsContact C-N 3.32Å; N62-M64 PolarHBondContact O-N 3.07Å; N62-N65 PolarHBondContact O-N 2.95Å; N62-D66 VanDerWaalsContact O-CB 3.29Å; N62-D66 WeakPolarHBondContact O-CB 3.31Å; N62-D66 PolarHBondContact O-N 3.05Å
63L83.8Confident69.5Low74 Ų7486.5 Ų86.539%0.38748%0.481SS..Hα-helixtrans-63.2-36.3179.7-171.168.8000113.1L14 L17 F59 L60 Y61L14-L63 HydrophobicContact CD2-CD2 4.34Å; L17-L63 HydrophobicContact CD1-CD2 3.22Å; F59-L63 HydrophobicContact CE1-CD2 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 PolarHBondContact O-N 2.83Å; L60-L63 PolarHBondContact O-N 3.01Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.09Å
64M80.7Confident66.6Low136 Ų13690 Ų9067%0.6751%0.508SS*.Hα-helixtrans-77.5-32.9179-75.5173.239.600113.4L60 Y61 N62L60-M64 WeakPolarHBondContact O-CB 3.34Å; L60-M64 VanDerWaalsContact O-CG 3.3Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.12Å; Y61-M64 PolarHBondContact O-N 2.9Å; N62-M64 VanDerWaalsContact C-N 3.32Å; N62-M64 PolarHBondContact O-N 3.07Å
65N78.2Confident63.7Low90 Ų9088.9 Ų88.948%0.48151%0.506SS..Hα-helixtrans-91.9-13.8-179.1-64.1-62.1000113Y61 N62 E67Y61-N65 WeakPolarHBondContact CD1-ND2 3.31Å; Y61-N65 WeakPolarHBondContact CD2-ND2 3.48Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.27Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.42Å; Y61-N65 VanDerWaalsContact CG-ND2 3.32Å; Y61-N65 WeakPolarHBondContact O-CB 3.27Å; Y61-N65 PolarHBondContact O-N 3.08Å; Y61-N65 PolarHBondContact O-ND2 2.91Å; N62-N65 PolarHBondContact O-N 2.95Å; N65-E67 VanDerWaalsContact C-N 3.28Å; N65-E67 PolarHBondContact O-N 2.81Å
66D66.8Low61.5Low91 Ų9193.3 Ų93.349%0.48754%0.538SS..  trans-73.684.9169.6-105.1-34.8000110.2N62 G68 V69N62-D66 VanDerWaalsContact O-CB 3.29Å; N62-D66 WeakPolarHBondContact O-CB 3.31Å; N62-D66 PolarHBondContact O-N 3.05Å; D66-G68 PolarHBondContact O-N 2.75Å; D66-G68 VanDerWaalsContact O-N 3.11Å; D66-V69 HydrophobicContact CB-CG2 4.26Å; D66-V69 VanDerWaalsContact CG-CG2 3.41Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.39Å
67E49.7Very low58.9Low198 Ų198101.3 Ų101.393%0.92558%0.575SS**SBendtrans-66.910.3160.4-77.4-116.5152.400112.8N65N65-E67 VanDerWaalsContact C-N 3.28Å; N65-E67 PolarHBondContact O-N 2.81Å
68G41.1Very low56.1Low53 Ų53102.5 Ų102.555%0.54659%0.59SS.*  trans-156.69.9-162.900000120.1D66 V70D66-G68 PolarHBondContact O-N 2.75Å; D66-G68 VanDerWaalsContact O-N 3.11Å; G68-V70 VanDerWaalsContact C-N 3.27Å; G68-V70 PolarHBondContact O-N 2.77Å
69V40.3Very low53.1Low90 Ų90108.3 Ų108.355%0.54561%0.611SS.*  trans-83.185170.4179.80000109.9D66 T71D66-V69 HydrophobicContact CB-CG2 4.26Å; D66-V69 VanDerWaalsContact CG-CG2 3.41Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.39Å; V69-T71 HydrophobicContact CG1-CG2 4.46Å; V69-T71 PolarHBondContact O-N 3.29Å
70V32.8Very low50.1Low100 Ų100113.1 Ų113.161%0.60664%0.639SS**  trans-36.1103.3144.5-173.40000107.9G68 N72G68-V70 VanDerWaalsContact C-N 3.27Å; G68-V70 PolarHBondContact O-N 2.77Å; V70-N72 HydrophobicContact CG1-CB 3.7Å; V70-N72 WeakPolarHBondContact CG1-ND2 3.46Å; V70-N72 PolarHBondContact O-N 2.88Å
71T37.7Very low47.1Very low135 Ų135119.4 Ų119.483%0.82867%0.672SS**  trans-76.851.4166.844.40000109.6V69V69-T71 HydrophobicContact CG1-CG2 4.46Å; V69-T71 PolarHBondContact O-N 3.29Å
72N30.8Very low44.3Very low137 Ų137118.5 Ų118.573%0.73369%0.686SS**SBendtrans-95.798.5155-72.5-29.3000106.1V70V70-N72 HydrophobicContact CG1-CB 3.7Å; V70-N72 WeakPolarHBondContact CG1-ND2 3.46Å; V70-N72 PolarHBondContact O-N 2.88Å
73G28.4Very low41.4Very low70 Ų70121.8 Ų121.872%0.72270%0.703SS**  trans46.999155.400000117.9
74V30.6Very low38.9Very low139 Ų139123.9 Ų123.984%0.84272%0.721SS**  trans-127.685.6142.4-179.50000107.7
75D29.7Very low36.6Very low116 Ų116124.5 Ų124.562%0.6273%0.732SS**  trans-60.3125152.9-174.6-13.5000107.8H77D75-H77 PolarHBondContact O-N 2.91Å; D75-H77 PolarHBondContact OD1-N 3.41Å
76P45.8Very low34Very low120 Ų120128.5 Ų128.578%0.77975%0.745SS**THydrogen-bonded Turntrans-63.23.6-178.2-21.131.8000116.1
77H34.7Very low32.1Very low169 Ų169131.1 Ų131.178%0.78276%0.759SS**THydrogen-bonded Turntrans-115.21.6-177.4-99.1-60.6000117.6D75 Q79D75-H77 PolarHBondContact O-N 2.91Å; D75-H77 PolarHBondContact OD1-N 3.41Å; H77-Q79 PolarHBondContact O-N 3.43Å
78A31.3Very low31.3Very low93 Ų93126.7 Ų126.777%0.76976%0.756SS**  trans-87.171.2178.700000112.8
79Q26.8Very low30.7Very low171 Ų171129.7 Ų129.780%0.79977%0.769SS**  trans-76.6135.4152.1-79.3-176-16.200108.9H77H77-Q79 PolarHBondContact O-N 3.43Å
80N24.8Very low30.5Very low138 Ų138131.2 Ų131.274%0.73878%0.781SS**SBendtrans96.699.6167.4-53.7-48.5000118
81N24.7Very low30.6Very low153 Ų153130.3 Ų130.382%0.81878%0.784SS**  trans57.1101.9136.6-59.6-23000119.6
82C25.1Very low30.5Very low129 Ų129129.9 Ų129.987%0.87278%0.783SS**  -167.7129.4118.2-125.60000114
83L26Very low30.9Very low156 Ų156131.4 Ų131.482%0.81779%0.786SS**  trans-7.4157.9163.5-66.9168.4000123
84P31.1Very low31.4Very low117 Ų117134.5 Ų134.576%0.7679%0.791SS**PPolyproline II helixtrans-89.4131.6-163.234.9-31.7000113.3
85V32.6Very low31.8Very low149 Ų149138.1 Ų138.190%0.90379%0.79SS**PPolyproline II helixtrans-95.8116.7169.51800000110.2
86K23.7Very low32.4Very low175 Ų175143.9 Ų143.976%0.76180%0.803SS**PPolyproline II helixtrans-80.7138.4176.6-164.6177.5179.4178.90109.3
87N26.3Very low32Very low146 Ų146148.7 Ų148.778%0.78181%0.806SS**  trans72102160-58.5-16.8000119.3
88A33.7Very low32.5Very low104 Ų104146.8 Ų146.886%0.8681%0.805SS**  trans-129.1123.913900000108.7
89S28.5Very low33.2Very low117 Ų117147.3 Ų147.382%0.81880%0.799SS**PPolyproline II helixtrans-63.3141.6-173.3-174.40000112.9
90P35.9Very low34.6Very low121 Ų121147.3 Ų147.379%0.78680%0.801SS**PPolyproline II helixtrans-82.4120.8-173.331.4-31.9000112.3
91A33.9Very low36.6Very low81 Ų81144.6 Ų144.667%0.66979%0.786SS**PPolyproline II helixtrans-69148.1157.200000109E93A91-E93 PolarHBondContact O-N 3.11Å
92P37Very low38.6Very low127 Ų127140 Ų14083%0.82577%0.766SS**  trans-71.394.4-173.428.7-31.7000108.9T94P92-T94 PolarHBondContact O-N 2.93Å
93E38.4Very low40.9Very low168 Ų168143.9 Ų143.979%0.78576%0.762SS**  trans-48.6118.5160.8-77.9175.8152.100106.3A91 R95A91-E93 PolarHBondContact O-N 3.11Å; E93-R95 PolarHBondContact O-N 3.1Å
94T38.4Very low43Very low136 Ų136142.5 Ų142.583%0.83476%0.755SS**  trans-55.584.3160.140.40000106.2P92 R96P92-T94 PolarHBondContact O-N 2.93Å; T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 2.92Å
95R39.3Very low45Very low215 Ų215141.2 Ų141.281%0.81174%0.739SS**  trans-52.6104.2178.2-79.5-175.9176.8-179.8-0.8104.7E93 R97E93-R95 PolarHBondContact O-N 3.1Å; R95-R97 PolarHBondContact O-N 3.39Å
96R42.2Very low46.9Very low236 Ų236137.8 Ų137.889%0.89172%0.719SS**  trans-57.397.3162.5-74.1179.8176.1147.2-2.1104.1T94 V98T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 2.92Å; R96-V98 VanDerWaalsContact C-N 3.3Å; R96-V98 PolarHBondContact O-N 3.37Å
97R37.3Very low49.1Very low222 Ų222135.2 Ų135.284%0.83871%0.711SS**  trans-68.299.7173.9-71.1-171.9-179.4-168.80.3104.8R95 V99R95-R97 PolarHBondContact O-N 3.39Å; R97-V99 VanDerWaalsContact C-N 3.29Å; R97-V99 PolarHBondContact O-N 2.71Å
98V44.6Very low51.2Low129 Ų129131 Ų13178%0.78270%0.696SS**  trans-66.999.5165.61800000105R96 M100R96-V98 VanDerWaalsContact C-N 3.3Å; R96-V98 PolarHBondContact O-N 3.37Å; V98-M100 PolarHBondContact O-N 3.24Å
99V46.1Very low52.6Low103 Ų103131 Ų13162%0.62468%0.681SS**  trans-82.2109.8171.2-1790000105.4R97 L101R97-V99 VanDerWaalsContact C-N 3.29Å; R97-V99 PolarHBondContact O-N 2.71Å; V99-L101 HydrophobicContact CG1-CD2 4.36Å; V99-L101 PolarHBondContact O-N 3.26Å; V99-L101 VanDerWaalsContact O-N 3.13Å
100M57.5Low54.2Low171 Ų171127.6 Ų127.684%0.84266%0.66SS**  trans-66.5110.7168-66.2-162.1-51.100107.6V98V98-M100 PolarHBondContact O-N 3.24Å
101L66.4Low55.1Low81 Ų81124.9 Ų124.942%0.42465%0.648SS.*  trans-74.5129.5170.6-63.7176.9000108.2V99 E105 V106 L109V99-L101 HydrophobicContact CG1-CD2 4.36Å; V99-L101 PolarHBondContact O-N 3.26Å; V99-L101 VanDerWaalsContact O-N 3.13Å; L101-E105 WeakPolarHBondContact CA-OE2 3.38Å; L101-E105 HydrophobicContact CB-CB 4.05Å; L101-E105 HydrophobicContact CD2-CB 4.12Å; L101-V106 HydrophobicContact CB-CG2 3.73Å; L101-V106 HydrophobicContact CD1-CG2 4.43Å; L101-L109 HydrophobicContact CD1-CD1 4.07Å
102S67.1Low56.1Low57 Ų57124.4 Ų124.440%0.39964%0.644SS.*  trans-59.9159.216863.50000110.6D104 E105 V106S102-D104 PolarHBondContact O-N 3.41Å; S102-D104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact CB-OE2 3.45Å; S102-E105 PolarHBondContact N-OE2 3.02Å; S102-E105 PolarHBondContact O-N 3.43Å; S102-E105 VanDerWaalsContact O-N 3.07Å; S102-E105 VanDerWaalsContact OG-CG 3.3Å; S102-E105 WeakPolarHBondContact OG-CG 3.3Å; S102-E105 PolarHBondContact OG-N 3.33Å; S102-E105 PolarHBondContact OG-OE2 2.97Å; S102-V106 PolarHBondContact O-N 3.28Å
103R71.9Confident56.9Low210 Ų210123.7 Ų123.779%0.79264%0.637SS**Hα-helixtrans-52-39.8177.1-177.8179.5178.9178.3-1.2112V106 M107R103-V106 PolarHBondContact O-N 3.39Å; R103-M107 VanDerWaalsContact O-CG 3.29Å; R103-M107 WeakPolarHBondContact O-CG 3.31Å; R103-M107 PolarHBondContact O-N 3.31Å
104D71.3Confident57.4Low127 Ų127121 Ų12168%0.67963%0.633SS**Hα-helixtrans-70.5-36.5-178.6-61.7-28.5000111.9S102 M107 A108S102-D104 PolarHBondContact O-N 3.41Å; S102-D104 VanDerWaalsContact O-N 3.16Å; D104-M107 PolarHBondContact O-N 2.91Å; D104-A108 VanDerWaalsContact O-CB 3.31Å; D104-A108 WeakPolarHBondContact O-CB 3.29Å; D104-A108 PolarHBondContact O-N 3.42Å
105E72.3Confident57.2Low90 Ų90118.4 Ų118.442%0.42163%0.625SS.*Hα-helixtrans-67.9-39174.4-72.7167.9130.400112.2L101 S102 A108 L109L101-E105 WeakPolarHBondContact CA-OE2 3.38Å; L101-E105 HydrophobicContact CB-CB 4.05Å; L101-E105 HydrophobicContact CD2-CB 4.12Å; S102-E105 WeakPolarHBondContact CB-OE2 3.45Å; S102-E105 PolarHBondContact N-OE2 3.02Å; S102-E105 PolarHBondContact O-N 3.43Å; S102-E105 VanDerWaalsContact O-N 3.07Å; S102-E105 VanDerWaalsContact OG-CG 3.3Å; S102-E105 WeakPolarHBondContact OG-CG 3.3Å; S102-E105 PolarHBondContact OG-N 3.33Å; S102-E105 PolarHBondContact OG-OE2 2.97Å; E105-A108 PolarHBondContact O-N 3.3Å; E105-L109 WeakPolarHBondContact O-CB 3.35Å; E105-L109 PolarHBondContact O-N 3.18Å
106V73.6Confident57Low78 Ų78115 Ų11547%0.47362%0.623SS.*Hα-helixtrans-63.3-43.9174176.90000110.5L101 S102 R103 L109 A110L101-V106 HydrophobicContact CB-CG2 3.73Å; L101-V106 HydrophobicContact CD1-CG2 4.43Å; S102-V106 PolarHBondContact O-N 3.28Å; R103-V106 PolarHBondContact O-N 3.39Å; V106-L109 PolarHBondContact O-N 2.89Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.37Å
107M70.2Confident56.7Low120 Ų120113 Ų11359%0.59162%0.62SS**Hα-helixtrans-65.9-38.3176.3-70.1-61-62.900112.1R103 D104 A110 A111R103-M107 VanDerWaalsContact O-CG 3.29Å; R103-M107 WeakPolarHBondContact O-CG 3.31Å; R103-M107 PolarHBondContact O-N 3.31Å; D104-M107 PolarHBondContact O-N 2.91Å; M107-A110 PolarHBondContact O-N 3.03Å; M107-A111 WeakPolarHBondContact O-CB 3.38Å; M107-A111 PolarHBondContact O-N 3.3Å
108A69.3Low56.6Low57 Ų57108.2 Ų108.247%0.47162%0.616SS.*Hα-helixtrans-66.5-39.1175.600000112.2D104 E105 A111 A112D104-A108 VanDerWaalsContact O-CB 3.31Å; D104-A108 WeakPolarHBondContact O-CB 3.29Å; D104-A108 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 3.3Å; A108-A111 PolarHBondContact O-N 2.88Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.3Å; A108-A112 PolarHBondContact O-N 3.41Å
109L62.5Low55.8Low104 Ų104108.5 Ų108.555%0.54562%0.618SS.*Hα-helixtrans-65.4-41.2173.5-115.6117.6000111.9L101 E105 V106 A111 A112 T113L101-L109 HydrophobicContact CD1-CD1 4.07Å; E105-L109 WeakPolarHBondContact O-CB 3.35Å; E105-L109 PolarHBondContact O-N 3.18Å; V106-L109 PolarHBondContact O-N 2.89Å; L109-A111 VanDerWaalsContact C-N 3.34Å; L109-A112 PolarHBondContact O-N 2.97Å; L109-T113 WeakPolarHBondContact O-CG2 3.39Å; L109-T113 PolarHBondContact O-N 3.36Å; L109-T113 VanDerWaalsContact O-N 3.1Å; L109-T113 PolarHBondContact O-OG1 3.46Å
110A63.5Low55.4Low47 Ų47109.2 Ų109.239%0.38863%0.625SS.*Hα-helixtrans-64.3-39.2173.900000111.5V106 M107 T113 V114V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.37Å; M107-A110 PolarHBondContact O-N 3.03Å; A110-T113 WeakPolarHBondContact CA-OG1 3.15Å; A110-T113 PolarHBondContact O-OG1 2.87Å; A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.36Å
111A53.9Low54.1Low63 Ų63104.8 Ų104.852%0.52162%0.616SS.*Hα-helixtrans-70.6-39.9176.500000112.6M107 A108 L109 T113 V114M107-A111 WeakPolarHBondContact O-CB 3.38Å; M107-A111 PolarHBondContact O-N 3.3Å; A108-A111 PolarHBondContact O-N 2.88Å; L109-A111 VanDerWaalsContact C-N 3.34Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.29Å; A111-V114 PolarHBondContact O-N 2.91Å; A111-V114 VanDerWaalsContact O-N 3.11Å
112A54.8Low52.5Low72 Ų72107.3 Ų107.360%0.59563%0.634SS**Hα-helixtrans-65.2-29.8177.900000112.4A108 L109 V114A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.3Å; A108-A112 PolarHBondContact O-N 3.41Å; L109-A112 PolarHBondContact O-N 2.97Å; A112-V114 VanDerWaalsContact C-N 3.33Å
113T54.3Low50.6Low111 Ų111109.6 Ų109.668%0.68165%0.65SS**Hα-helixtrans-80.1-12.117548.90000113.8L109 A110 A111L109-T113 WeakPolarHBondContact O-CG2 3.39Å; L109-T113 PolarHBondContact O-N 3.36Å; L109-T113 VanDerWaalsContact O-N 3.1Å; L109-T113 PolarHBondContact O-OG1 3.46Å; A110-T113 WeakPolarHBondContact CA-OG1 3.15Å; A110-T113 PolarHBondContact O-OG1 2.87Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.29Å
114V48.1Very low48.8Very low113 Ų113106.3 Ų106.369%0.68565%0.647SS**THydrogen-bonded Turntrans-94.10174.9179.30000111.9A110 A111 A112 D116A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.36Å; A111-V114 PolarHBondContact O-N 2.91Å; A111-V114 VanDerWaalsContact O-N 3.11Å; A112-V114 VanDerWaalsContact C-N 3.33Å; V114-D116 PolarHBondContact O-N 3.29Å; V114-D116 VanDerWaalsContact O-N 3.07Å
115A35.1Very low47.1Very low81 Ų81104 Ų10467%0.66964%0.64SS**  trans-84.449.417300000112.8
116D35.9Very low45.8Very low143 Ų143107 Ų10777%0.76566%0.66SS**  trans-115.988.8147.9-152-7.4000107.6V114 T118V114-D116 PolarHBondContact O-N 3.29Å; V114-D116 VanDerWaalsContact O-N 3.07Å; D116-T118 PolarHBondContact O-N 3.18Å
117K35Very low44.4Very low193 Ų193109.6 Ų109.684%0.83967%0.671SS**  trans-70.789.5177.7-76-179.1174.61780108.9
118T34.2Very low43Very low123 Ų123107.8 Ų107.876%0.75568%0.683SS**  trans-138.790.1142.745.60000109.8D116D116-T118 PolarHBondContact O-N 3.18Å
119T28.1Very low42Very low135 Ų135109.5 Ų109.583%0.82868%0.681SS**  trans-54.2139.5148.150000107.9
120P39.2Very low41.6Very low117 Ų117108 Ų10876%0.7668%0.679SS**  -145.9165.259.537.4-17.6000117.4
121A28.7Very low41.3Very low79 Ų79109.9 Ų109.965%0.65369%0.686SS**  trans63.384.6148.600000117.6S123A121-S123 PolarHBondContact O-N 3.39Å
122V32.9Very low41.5Very low134 Ų134110.6 Ų110.681%0.81269%0.687SS**  trans-55.791.8146.2179.30000107.3I124V122-I124 VanDerWaalsContact C-N 3.33Å; V122-I124 HydrophobicContact CG1-CG1 4.16Å; V122-I124 PolarHBondContact O-N 3.5Å
123S27.3Very low41.7Very low104 Ų104113.2 Ų113.273%0.72769%0.685SS**  trans-66.9102.6160.9-54.20000104.8A121 S125A121-S123 PolarHBondContact O-N 3.39Å; S123-S125 PolarHBondContact O-N 2.92Å
124I35.2Very low41.7Very low141 Ų141115.3 Ų115.372%0.72368%0.68SS**  trans-68.578.8169.5-41.7165.9000105.2V122 N126V122-I124 VanDerWaalsContact C-N 3.33Å; V122-I124 HydrophobicContact CG1-CG1 4.16Å; V122-I124 PolarHBondContact O-N 3.5Å; I124-N126 PolarHBondContact O-N 3.33Å
125S34.3Very low42.1Very low78 Ų78114.2 Ų114.255%0.54567%0.67SS.*  trans-67118.6167.6178.90000106.2S123 D127S123-S125 PolarHBondContact O-N 2.92Å; S125-D127 PolarHBondContact O-N 3.01Å; S125-D127 PolarHBondContact OG-N 3.46Å; S125-D127 PolarHBondContact OG-OD2 2.9Å
126N45.3Very low43.4Very low154 Ų154117.3 Ų117.382%0.82467%0.668SS**  trans-69.48.1176.7-76.1-36.8000113.1I124 G128I124-N126 PolarHBondContact O-N 3.33Å; N126-G128 PolarHBondContact O-N 3.34Å; N126-G128 VanDerWaalsContact O-N 3.17Å
127D43.6Very low44.5Very low132 Ų132116.3 Ų116.371%0.70666%0.659SS**SBendtrans-78.9101.6169.9-65.4-31.5000108.3S125 E129S125-D127 PolarHBondContact O-N 3.01Å; S125-D127 PolarHBondContact OG-N 3.46Å; S125-D127 PolarHBondContact OG-OD2 2.9Å; D127-E129 PolarHBondContact O-N 3.27Å
128G42.3Very low45.5Very low82 Ų82113.4 Ų113.485%0.84565%0.652SS**  trans-5577.7178.800000113N126 S130N126-G128 PolarHBondContact O-N 3.34Å; N126-G128 VanDerWaalsContact O-N 3.17Å; G128-S130 PolarHBondContact O-N 2.91Å
129E47.2Very low46Very low94 Ų94118 Ų11844%0.43966%0.655SS.*  trans-71.1101.1179.1-158.4178.3-163.100108.1D127 V131 K133D127-E129 PolarHBondContact O-N 3.27Å; E129-V131 PolarHBondContact O-N 3.25Å; E129-K133 HydrophobicContact CG-CB 3.88Å; E129-K133 HydrophobicContact CG-CD 3.59Å; E129-K133 HydrophobicContact CG-CG 4.38Å; E129-K133 WeakPolarHBondContact OE1-CD 3.47Å
130S54.8Low46.8Very low72 Ų72119 Ų11950%0.50365%0.65SS.*  trans-42.2132.4179.4177.50000110.5G128 S132 K133G128-S130 PolarHBondContact O-N 2.91Å; S130-S132 PolarHBondContact O-N 3.42Å; S130-S132 PolarHBondContact OG-N 3.08Å; S130-K133 WeakPolarHBondContact O-CB 3.45Å; S130-K133 PolarHBondContact O-N 3.29Å
131V57Low47Very low87 Ų87117.6 Ų117.653%0.52764%0.64SS.*Hα-helixtrans-46-31.2175.6179.60000111.9E129 K133 R134 I135E129-V131 PolarHBondContact O-N 3.25Å; V131-K133 PolarHBondContact O-N 2.97Å; V131-R134 PolarHBondContact O-N 2.7Å; V131-I135 HydrophobicContact CG1-CD1 3.94Å; V131-I135 HydrophobicContact CG1-CG1 4.42Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 3.27Å
132S58.4Low47.6Very low77 Ų77119 Ų11954%0.53864%0.642SS.*Hα-helixtrans-57.9-36.6172.6-86.60000115S130 K136S130-S132 PolarHBondContact O-N 3.42Å; S130-S132 PolarHBondContact OG-N 3.08Å; S132-K136 WeakPolarHBondContact O-CG 3.13Å; S132-K136 PolarHBondContact O-N 3.46Å; S132-K136 VanDerWaalsContact O-N 3.11Å
133K58.1Low48.2Very low127 Ų127121 Ų12155%0.55265%0.648SS**Hα-helixtrans-70.8-42.2175.6-80.5-176.5172.9-174.10111.4E129 S130 V131 I135 K136 Q137E129-K133 HydrophobicContact CG-CB 3.88Å; E129-K133 HydrophobicContact CG-CD 3.59Å; E129-K133 HydrophobicContact CG-CG 4.38Å; E129-K133 WeakPolarHBondContact OE1-CD 3.47Å; S130-K133 WeakPolarHBondContact O-CB 3.45Å; S130-K133 PolarHBondContact O-N 3.29Å; V131-K133 PolarHBondContact O-N 2.97Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 3.34Å; K133-K136 WeakPolarHBondContact O-CB 3.3Å; K133-K136 PolarHBondContact O-N 3.09Å; K133-K136 VanDerWaalsContact O-N 3.12Å; K133-Q137 PolarHBondContact O-N 3.21Å
134R55.9Low48.7Very low155 Ų155123.2 Ų123.259%0.58565%0.65SS**Hα-helixtrans-59.2-43176.6-130.1-179.9-61.6178.82.4112V131 Q137 L138V131-R134 PolarHBondContact O-N 2.7Å; R134-Q137 PolarHBondContact O-N 2.85Å; R134-L138 PolarHBondContact O-N 2.92Å
135I56.2Low49Very low91 Ų91119.6 Ų119.647%0.46765%0.647SS.*Hα-helixtrans-67.7-38.5175.4-64.6169.1000111.6V131 K133 Q137 L138 R139V131-I135 HydrophobicContact CG1-CD1 3.94Å; V131-I135 HydrophobicContact CG1-CG1 4.42Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 3.27Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 3.34Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.1Å; I135-L138 PolarHBondContact O-N 3.33Å; I135-R139 PolarHBondContact O-N 2.97Å
136K61.7Low48.9Very low146 Ų146122.1 Ų122.164%0.63566%0.659SS**Hα-helixtrans-62.5-36.7175.6-81.1179.7179.5-176.70112.4S132 K133 R139 Q140S132-K136 WeakPolarHBondContact O-CG 3.13Å; S132-K136 PolarHBondContact O-N 3.46Å; S132-K136 VanDerWaalsContact O-N 3.11Å; K133-K136 WeakPolarHBondContact O-CB 3.3Å; K133-K136 PolarHBondContact O-N 3.09Å; K133-K136 VanDerWaalsContact O-N 3.12Å; K136-R139 PolarHBondContact O-N 2.94Å; K136-Q140 PolarHBondContact O-N 2.97Å
137Q59.7Low48.4Very low122 Ų122125.7 Ų125.757%0.5766%0.661SS**Hα-helixtrans-72.5-36.6178.3-159.7156.119.100112.3K133 R134 I135 R139 Q140 T141K133-Q137 PolarHBondContact O-N 3.21Å; R134-Q137 PolarHBondContact O-N 2.85Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.1Å; Q137-R139 PolarHBondContact O-N 3.4Å; Q137-Q140 WeakPolarHBondContact O-CA 3.29Å; Q137-Q140 PolarHBondContact O-N 2.9Å; Q137-T141 PolarHBondContact O-N 2.82Å; Q137-T141 PolarHBondContact O-OG1 2.85Å
138L55.8Low47.9Very low132 Ų132124.4 Ų124.469%0.69166%0.663SS**Hα-helixtrans-59.4-35171.5-81163.2000112.6R134 I135 Q140 T141R134-L138 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 3.33Å; L138-Q140 PolarHBondContact O-N 3.47Å; L138-T141 PolarHBondContact O-OG1 3.39Å
139R44.6Very low47.3Very low218 Ų218126 Ų12682%0.82366%0.656SS**THydrogen-bonded Turntrans-70.4-16.4172.8-73.4-174.6161.7-148.9-4.8113.9I135 K136 Q137I135-R139 PolarHBondContact O-N 2.97Å; K136-R139 PolarHBondContact O-N 2.94Å; Q137-R139 PolarHBondContact O-N 3.4Å
140Q45Very low46.5Very low156 Ų156126.9 Ų126.973%0.72967%0.667SS**THydrogen-bonded Turntrans-106.1-20.6-176-75.4-173-7.800114.6K136 Q137 L138 P142K136-Q140 PolarHBondContact O-N 2.97Å; Q137-Q140 WeakPolarHBondContact O-CA 3.29Å; Q137-Q140 PolarHBondContact O-N 2.9Å; L138-Q140 PolarHBondContact O-N 3.47Å; Q140-P142 WeakPolarHBondContact O-CD 3.02Å; Q140-P142 VanDerWaalsContact O-N 3.13Å
141T43.3Very low45.1Very low88 Ų88132.9 Ų132.954%0.5468%0.679SS.*SBendtrans-64.7112.3171210000109.1Q137 L138 L143Q137-T141 PolarHBondContact O-N 2.82Å; Q137-T141 PolarHBondContact O-OG1 2.85Å; L138-T141 PolarHBondContact O-OG1 3.39Å; T141-L143 PolarHBondContact O-N 3.32Å; T141-L143 VanDerWaalsContact O-N 3.13Å
142P40.7Very low43.9Very low108 Ų108134 Ų13470%0.70169%0.686SS**  trans-61.4121.8172.3-13.529.5000106.6Q140 I144Q140-P142 WeakPolarHBondContact O-CD 3.02Å; Q140-P142 VanDerWaalsContact O-N 3.13Å; P142-I144 PolarHBondContact O-N 2.91Å
143L46.3Very low42.5Very low177 Ų177138.8 Ų138.893%0.92770%0.697SS**  trans-60.791.9166.5-77.5153.5000106.6T141 G145T141-L143 PolarHBondContact O-N 3.32Å; T141-L143 VanDerWaalsContact O-N 3.13Å; L143-G145 PolarHBondContact O-N 2.8Å
144I38.4Very low41.2Very low151 Ų151138.6 Ų138.677%0.77471%0.707SS**  trans-62.892.3162.7-66.5171000104.3P142 T146P142-I144 PolarHBondContact O-N 2.91Å; I144-T146 PolarHBondContact O-N 3Å
145G40.5Very low40Very low64 Ų64138.6 Ų138.666%0.6672%0.718SS**  trans-6497.1176.500000108.5L143 R147L143-G145 PolarHBondContact O-N 2.8Å; G145-R147 PolarHBondContact O-N 3.39Å
146T33.3Very low38.7Very low131 Ų131144 Ų14480%0.80474%0.738SS**  trans-68.693.5154.843.50000106.1I144 S148I144-T146 PolarHBondContact O-N 3Å; T146-S148 PolarHBondContact O-N 3.48Å
147R33.9Very low37.4Very low230 Ų230142.4 Ų142.487%0.86874%0.743SS**  trans-53.2104.7168.3-82.9-177.3165.4-138.8-0.8107.5G145 T149G145-R147 PolarHBondContact O-N 3.39Å; R147-T149 VanDerWaalsContact C-N 3.33Å; R147-T149 PolarHBondContact O-N 3.01Å; R147-T149 PolarHBondContact O-OG1 3.46Å
148S32.9Very low36Very low105 Ų105144.4 Ų144.473%0.73476%0.756SS**  trans-61.7103.3164-175.50000106.5T146 V150T146-S148 PolarHBondContact O-N 3.48Å; S148-V150 PolarHBondContact O-N 3.01Å
149T30.6Very low34.6Very low115 Ų115145.1 Ų145.171%0.70676%0.759SS**  trans-7684.1177.2-500000105.9R147 R151R147-T149 VanDerWaalsContact C-N 3.33Å; R147-T149 PolarHBondContact O-N 3.01Å; R147-T149 PolarHBondContact O-OG1 3.46Å; T149-R151 VanDerWaalsContact C-N 3.3Å; T149-R151 PolarHBondContact O-N 3.34Å
150V29.8Very low34.1Very low112 Ų112142.5 Ų142.568%0.67976%0.759SS**  trans-66.997.8169.9-179.30000106.4S148 T152S148-V150 PolarHBondContact O-N 3.01Å; V150-T152 VanDerWaalsContact C-N 3.26Å; V150-T152 PolarHBondContact O-N 2.9Å
151R26Very low33.3Very low199 Ų199141.3 Ų141.375%0.75176%0.758SS**  trans-67.288.1167.3-76-177.9172.1178.3-2.1107.6T149 F153T149-R151 VanDerWaalsContact C-N 3.3Å; T149-R151 PolarHBondContact O-N 3.34Å; R151-F153 HydrophobicContact CB-CE2 4.29Å; R151-F153 PolarHBondContact O-N 2.88Å; R151-F153 VanDerWaalsContact O-N 3.12Å
152T31.1Very low32.4Very low109 Ų109145.9 Ų145.967%0.66977%0.773SS**  trans-73.6102.2163.5-32.90000106.8V150 V154V150-T152 VanDerWaalsContact C-N 3.26Å; V150-T152 PolarHBondContact O-N 2.9Å; T152-V154 HydrophobicContact CG2-CG2 3.99Å; T152-V154 PolarHBondContact O-N 3.31Å
153F28.9Very low32Very low178 Ų178147.7 Ų147.778%0.78178%0.782SS**  trans-6587.6166.4-71.4-89000107.9R151R151-F153 HydrophobicContact CB-CE2 4.29Å; R151-F153 PolarHBondContact O-N 2.88Å; R151-F153 VanDerWaalsContact O-N 3.12Å
154V30.6Very low31.1Very low123 Ų123148 Ų14875%0.74578%0.776SS**  trans-92.9116.3163.9-178.50000106.5T152T152-V154 HydrophobicContact CG2-CG2 3.99Å; T152-V154 PolarHBondContact O-N 3.31Å
155N30.1Very low30.6Very low156 Ų156145.9 Ų145.983%0.83478%0.775SS**  trans-50148.6179.9-79.4-33.5000112.5
156K29.4Very low30.7Very low204 Ų204148.1 Ų148.189%0.88778%0.778SS**  trans-43.7160179.8-88.3179.3176.8179.90115.9
157P34.8Very low30.6Very low113 Ų113148.4 Ų148.473%0.73478%0.779SS**  trans-97.3149.1-149.237.6-31.9000112.5
158I30.4Very low30.7Very low164 Ų164142 Ų14284%0.84177%0.77SS**  trans-129.9126.1156.9-66-178.7000108.9
159I26Very low30.8Very low147 Ų147142.1 Ų142.175%0.75477%0.771SS**  trans-57.5125.4-176-61.5168.9000109.9
160I33.4Very low31.1Very low162 Ų162143.8 Ų143.883%0.83178%0.775SS**  trans-127.3123.3158.5-49.3178.6000107
161N28.1Very low31.3Very low131 Ų131145.7 Ų145.770%0.70178%0.781SS**  trans-59.7133.4-170.9-66.4-26.2000113.5
162E25.5Very low31.4Very low184 Ų184144.3 Ų144.386%0.8678%0.783SS**  41.495.1125-151.7176.9-159.100118.4
163V32.5Very low31.7Very low147 Ų147145 Ų14589%0.89179%0.786SS**  trans-134.5114.2143.7176.80000109.7
164K27.1Very low31.9Very low183 Ų183141.6 Ų141.680%0.79678%0.781SS**  trans-19.3118.9164.9-93.2167.4168169.70118.6
165S28.6Very low32.1Very low106 Ų106140.5 Ų140.574%0.74178%0.776SS**  59.7160.5128.2620000121.6
166P41.9Very low32.4Very low112 Ų112140.8 Ų140.873%0.72778%0.777SS**  cis-128.2150.4-133.9-14.4000116.3
167T30.7Very low32.5Very low136 Ų136141.3 Ų141.383%0.83477%0.773SS**  trans35.799.9138-32.40000119.2S169T167-S169 PolarHBondContact O-N 2.86Å
168S37.4Very low32.4Very low96 Ų96143.1 Ų143.167%0.67178%0.777SS**  trans-55120158.352.30000111.1N170S168-N170 PolarHBondContact O-N 2.84Å; S168-N170 VanDerWaalsContact O-N 3.12Å
169S34.9Very low32.8Very low108 Ų108142.3 Ų142.376%0.75577%0.773SS**  trans-66.6106.216543.10000109T167 L171T167-S169 PolarHBondContact O-N 2.86Å; S169-L171 PolarHBondContact O-N 3.34Å
170N35.8Very low32.9Very low150 Ų150142.9 Ų142.980%0.80277%0.772SS**  trans-64.898.7164.9-81.4-47.2000108.1S168 E172S168-N170 PolarHBondContact O-N 2.84Å; S168-N170 VanDerWaalsContact O-N 3.12Å; N170-E172 VanDerWaalsContact C-N 3.32Å; N170-E172 PolarHBondContact O-N 3.47Å; N170-E172 VanDerWaalsContact O-N 3.08Å
171L33.3Very low32.8Very low151 Ų151142.8 Ų142.879%0.79177%0.773SS**  trans-76.192.3166.3-120.5138.4000107.2S169 V173S169-L171 PolarHBondContact O-N 3.34Å; L171-V173 PolarHBondContact O-N 3.09Å; L171-V173 VanDerWaalsContact O-N 3.14Å
172E30.1Very low32.7Very low170 Ų170143.6 Ų143.679%0.79477%0.774SS**  trans-69.899.5175-169.2176.4-174.500108.9N170 T174N170-E172 VanDerWaalsContact C-N 3.32Å; N170-E172 PolarHBondContact O-N 3.47Å; N170-E172 VanDerWaalsContact O-N 3.08Å; E172-T174 PolarHBondContact O-N 3Å
173V35.6Very low32.9Very low123 Ų123143.8 Ų143.875%0.74578%0.775SS**  trans-87.797.3171.4-1770000107.6L171 P175L171-V173 PolarHBondContact O-N 3.09Å; L171-V173 VanDerWaalsContact O-N 3.14Å; V173-P175 WeakPolarHBondContact O-CD 3.23Å
174T33.3Very low32.9Very low107 Ų107143.1 Ų143.166%0.65677%0.771SS**  trans-64.8121.8172.839.40000110.5E172 L176E172-T174 PolarHBondContact O-N 3Å; T174-L176 PolarHBondContact O-N 3.42Å
175P36.1Very low33.2Very low100 Ų100140.5 Ų140.565%0.64977%0.773SS**  trans-70.9130178.126.2-31.5000111.1V173 R177V173-P175 WeakPolarHBondContact O-CD 3.23Å; P175-R177 PolarHBondContact O-N 2.97Å
176L35.3Very low33.7Very low163 Ų163146.2 Ų146.285%0.85378%0.778SS**  trans-6491.8174.2-71.7166.3000110.1T174T174-L176 PolarHBondContact O-N 3.42Å
177R31.3Very low33.4Very low214 Ų214147.4 Ų147.481%0.80878%0.783SS**  trans-76.2135165.2-71.8-171.1177.6126.1-1.8109.1P175P175-R177 PolarHBondContact O-N 2.97Å
178N33.3Very low33.8Very low151 Ų151147.7 Ų147.781%0.80778%0.778SS**  trans7569.6161.8-53.8-13.4000117.5Q180N178-Q180 PolarHBondContact O-N 3.38Å
179I38.2Very low33.6Very low148 Ų148152 Ų15276%0.75979%0.787SS**  trans-89.492.4149.9-52176.9000107.1L181I179-L181 PolarHBondContact O-N 2.99Å
180Q28.3Very low33.5Very low159 Ų159151.6 Ų151.674%0.74379%0.785SS**  trans-79.6111.6173.4-170.1171.79.300108.8N178 M182N178-Q180 PolarHBondContact O-N 3.38Å; Q180-M182 HydrophobicContact CG-CE 4.1Å; Q180-M182 PolarHBondContact O-N 3.38Å
181L32.1Very low33.5Very low160 Ų160149.3 Ų149.384%0.83878%0.78SS**  trans-71.1108.4175.8-75.7158.8000109.3I179 Q183I179-L181 PolarHBondContact O-N 2.99Å; L181-Q183 PolarHBondContact O-N 2.91Å
182M26.5Very low33.4Very low148 Ų148149.2 Ų149.273%0.72978%0.781SS**  trans-70.6109.1169.5-70.2-79.294.800109.3Q180 T184Q180-M182 HydrophobicContact CG-CE 4.1Å; Q180-M182 PolarHBondContact O-N 3.38Å; M182-T184 PolarHBondContact O-N 2.9Å
183Q28.4Very low33.6Very low188 Ų188150 Ų15088%0.87978%0.784SS**  trans-77.3108.7170.5-122.9174.18.900108.2L181 P185L181-Q183 PolarHBondContact O-N 2.91Å; Q183-P185 WeakPolarHBondContact O-CD 3.36Å
184T32.8Very low33.5Very low133 Ų133152.8 Ų152.882%0.81679%0.786SS**PPolyproline II helixtrans-69.5123.4172.342.60000109.9M182M182-T184 PolarHBondContact O-N 2.9Å
185P34.2Very low33.4Very low127 Ų127154.5 Ų154.583%0.82580%0.797SS**PPolyproline II helixtrans-64.5137.6-178.8-19.731.3000112.6Q183Q183-P185 WeakPolarHBondContact O-CD 3.36Å
186R39.3Very low33.3Very low226 Ų226156.7 Ų156.785%0.85380%0.798SS**PPolyproline II helixtrans-85.9126.9175.2-159.8179.9-167.6175.82.1108.6I188R186-I188 PolarHBondContact O-N 3.3Å; R186-I188 VanDerWaalsContact O-N 3.09Å
187V35.3Very low33.1Very low138 Ų138154.4 Ų154.484%0.83680%0.796SS**  trans-67.4106165.6179.20000106.8E189V187-E189 PolarHBondContact O-N 2.88Å
188I38.3Very low33.4Very low141 Ų141153.1 Ų153.172%0.72380%0.797SS**  trans-87.3101.9172.2-61.4168.7000105.8R186 S190R186-I188 PolarHBondContact O-N 3.3Å; R186-I188 VanDerWaalsContact O-N 3.09Å; I188-S190 PolarHBondContact O-N 3.5Å
189E33.4Very low33.1Very low186 Ų186154.8 Ų154.887%0.86980%0.797SS**  trans-70.9105.3163.7-128.1170.6-171.800107.2V187 S191V187-E189 PolarHBondContact O-N 2.88Å; E189-S191 PolarHBondContact O-N 2.95Å
190S33.3Very low32.7Very low101 Ų101153.4 Ų153.471%0.70680%0.8SS**  trans-75107178.5530000110.1I188I188-S190 PolarHBondContact O-N 3.5Å
191S34.6Very low32.7Very low101 Ų101152.8 Ų152.871%0.70680%0.802SS**  trans-104.2112.216265.40000109.7E189 H193E189-S191 PolarHBondContact O-N 2.95Å; S191-H193 PolarHBondContact O-N 3.12Å
192N32Very low32.7Very low150 Ų150151 Ų15180%0.80280%0.803SS**  trans-60.9115.4176.2-64.2-46.1000111.3
193H35.1Very low32.9Very low185 Ų185149.8 Ų149.886%0.85680%0.804SS**  trans-128.5116.5155.6-82.1-64.9000111.1S191S191-H193 PolarHBondContact O-N 3.12Å
194K32.3Very low32.9Very low182 Ų182147.2 Ų147.279%0.79180%0.796SS**  trans-62125.3-177.1-170.8178.9-180-169.30110.8E196K194-E196 PolarHBondContact O-N 3.36Å
195T31.3Very low32.8Very low144 Ų144148.4 Ų148.488%0.88380%0.798SS**  trans-64.8109.3166.432.20000110
196E33.2Very low32.6Very low145 Ų145150.4 Ų150.468%0.67880%0.801SS**  trans-97.2115.7164.6-110.1173.6-169.500109.3K194K194-E196 PolarHBondContact O-N 3.36Å
197S31.5Very low32.3Very low116 Ų116144.7 Ų144.781%0.81180%0.796SS**  trans-74.2116.6174.754.20000110.2K199S197-K199 PolarHBondContact O-N 2.83Å
198F38.2Very low32Very low187 Ų187144.1 Ų144.182%0.8280%0.798SS**  trans-85.7110.6166.2-73.5-79.4000109.9S200F198-S200 PolarHBondContact O-N 3.39Å
199K27.9Very low31.7Very low186 Ų186143.1 Ų143.181%0.80980%0.799SS**  trans-70.1110.8172.9-172.8174.4-178.1178.50109S197 N201S197-K199 PolarHBondContact O-N 2.83Å; K199-N201 PolarHBondContact O-N 3.01Å
200S29.7Very low31.5Very low119 Ų119140.8 Ų140.883%0.83280%0.797SS**  trans-70.4105.4172.4-67.40000110.5F198F198-S200 PolarHBondContact O-N 3.39Å
201N27.3Very low31.6Very low146 Ų146143.3 Ų143.378%0.78180%0.801SS**  trans-112.3100.2156.3-94.822000107.2K199K199-N201 PolarHBondContact O-N 3.01Å
202S32.3Very low31.5Very low122 Ų122142.1 Ų142.185%0.85379%0.793SS**  trans-140115.4154.3-167.50000109.7
203T29.9Very low31.6Very low122 Ų122143.2 Ų143.275%0.74880%0.797SS**  trans-59.3145.6175-55.70000112.5
204N28.6Very low31.6Very low134 Ų134140.6 Ų140.672%0.71779%0.789SS**  trans5127.4158.7-69.8-18.2000118.3
205N30.5Very low31.9Very low159 Ų159140.7 Ų140.785%0.8579%0.79SS**  -168.4140.1104-89.9-24.1000112.3S207N205-S207 PolarHBondContact O-N 3.44Å
206N31Very low32.4Very low169 Ų169139.1 Ų139.190%0.90478%0.782SS**  trans-61.9122.5173.1-69.2-36.6000111.2
207S32.1Very low32.4Very low106 Ų106138 Ų13874%0.74178%0.781SS**  trans-150.2101.5150.863.20000109.8N205 T209N205-S207 PolarHBondContact O-N 3.44Å; S207-T209 PolarHBondContact O-N 2.91Å
208S29.7Very low33Very low126 Ų126138.6 Ų138.688%0.88177%0.774SS**  trans-60.4116.1156.7-76.40000109
209T32.2Very low33.1Very low119 Ų119132.8 Ų132.873%0.7376%0.757SS**  trans-155.7118.6149.7-33.50000111.5S207S207-T209 PolarHBondContact O-N 2.91Å
210T28.2Very low33.8Very low137 Ų137127.9 Ų127.984%0.8475%0.751SS**  trans-36.9125.6162-44.30000113.3
211I35.3Very low34.3Very low154 Ų154131.2 Ų131.279%0.7975%0.75SS**  trans-124.1104.1164.6-56.3-179.6000109.5
212S32.9Very low34.9Very low76 Ų76130.4 Ų130.453%0.53175%0.745SS.*  trans3.9123.6151.8-176.60000117.7N214S212-N214 PolarHBondContact O-N 3.31Å; S212-N214 PolarHBondContact OG-OD1 3.47Å
213I35.5Very low35.1Very low173 Ų173129.2 Ų129.289%0.88774%0.736SS**  trans-63.482.9159.4-49.7167.4000106.9K215I213-K215 PolarHBondContact O-N 3.35Å
214N33.8Very low35.3Very low131 Ų131132.5 Ų132.570%0.70174%0.743SS**  trans-66.6103.5174.1-79.7-11000108.3S212S212-N214 PolarHBondContact O-N 3.31Å; S212-N214 PolarHBondContact OG-OD1 3.47Å
215K37.9Very low35.5Very low184 Ų184131.6 Ų131.680%0.875%0.747SS**  trans-20.2126.5159.4-171.1173.2-176.4173.10111.7I213 N217I213-K215 PolarHBondContact O-N 3.35Å; K215-N217 PolarHBondContact O-N 2.95Å
216P42Very low35.8Very low110 Ų110129.2 Ų129.271%0.71474%0.744SS**  trans-57.3119.1-176.121.9-31.4000109.8L218P216-L218 PolarHBondContact O-N 3.45Å
217N33.8Very low36.1Very low123 Ų123130.2 Ų130.266%0.65874%0.74SS**  trans-70.693.7177.9-169.1-8.2000108.5K215 S219 A220K215-N217 PolarHBondContact O-N 2.95Å; N217-S219 VanDerWaalsContact CG-OG 3.26Å; N217-S219 PolarHBondContact O-N 2.87Å; N217-S219 WeakPolarHBondContact OD1-CB 3.43Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 3.43Å; N217-A220 PolarHBondContact O-N 2.89Å
218L44.3Very low36.1Very low127 Ų127132.5 Ų132.567%0.66574%0.744SS**THydrogen-bonded Turntrans-59.8-5.7179.7-86.8155.7000114.2P216 A220 F221P216-L218 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.36Å; L218-F221 PolarHBondContact O-N 2.75Å
219S40.1Very low36.4Very low66 Ų66134.4 Ų134.446%0.46274%0.744SS.*Hα-helixtrans-71.1-20.3176.563.70000114.1N217 S223N217-S219 VanDerWaalsContact CG-OG 3.26Å; N217-S219 PolarHBondContact O-N 2.87Å; N217-S219 WeakPolarHBondContact OD1-CB 3.43Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 3.43Å; S219-S223 PolarHBondContact O-OG 3.01Å
220A43.4Very low36.4Very low82 Ų82134.3 Ų134.368%0.67875%0.747SS**Hα-helixtrans-74.2-26.3175.500000113.1N217 L218N217-A220 PolarHBondContact O-N 2.89Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.36Å
221F40.2Very low36.8Very low189 Ų189137 Ų13783%0.82975%0.747SS**Hα-helixtrans-83.6-20.2-178.9-95.1-85.6000113.9L218L218-F221 PolarHBondContact O-N 2.75Å
222I39.1Very low36.7Very low130 Ų130140.8 Ų140.867%0.66775%0.751SS**Hα-helixtrans-91.8-16.6-177.1-58.9177000111.8Q224I222-Q224 PolarHBondContact O-N 3.13Å
223S37.1Very low36.7Very low96 Ų96145.1 Ų145.167%0.67176%0.763SS**SBendtrans-94.643.1-173.9-59.50000114.7S219S219-S223 PolarHBondContact O-OG 3.01Å
224Q34.2Very low36.4Very low191 Ų191145.1 Ų145.189%0.89376%0.763SS**  trans-149.453.4160-70.7-161.8-12.900112I222I222-Q224 PolarHBondContact O-N 3.13Å
225S32.2Very low36.3Very low115 Ų115143.9 Ų143.980%0.80476%0.764SS**  trans-112.749.1156.5650000110.2
226S36.2Very low36.2Very low110 Ų110141 Ų14177%0.76976%0.762SS**  trans-96108.9169.9-179.20000109.3N228S226-N228 PolarHBondContact O-N 2.77Å
227K37.2Very low35.6Very low190 Ų190141.8 Ų141.883%0.82677%0.767SS**  trans-4.9108.2161.7-70.3171.4173.6174.10115.1
228N33.6Very low35.5Very low153 Ų153141.6 Ų141.682%0.81878%0.775SS**  trans-13984.2144.8-91.9-22.9000108.7S226 C230S226-N228 PolarHBondContact O-N 2.77Å; N228-C230 VanDerWaalsContact C-N 3.34Å; N228-C230 PolarHBondContact O-N 3.07Å; N228-C230 VanDerWaalsContact O-N 3.12Å
229D34.5Very low34.8Very low166 Ų166140.6 Ų140.689%0.88878%0.779SS**  trans-54.698.9147.3-119-37.8000107.6
230C33.9Very low34.3Very low117 Ų117142 Ų14279%0.79179%0.789SS**  trans-135.8100.7165.2-103.70000110.3N228N228-C230 VanDerWaalsContact C-N 3.34Å; N228-C230 PolarHBondContact O-N 3.07Å; N228-C230 VanDerWaalsContact O-N 3.12Å
231K36.5Very low33.8Very low193 Ų193147.3 Ų147.384%0.83980%0.797SS**  trans-35.3133.3162.6-86.3166.1167.9172.50112.5H233K231-H233 PolarHBondContact O-N 3.16Å
232R33.4Very low33.2Very low234 Ų234143.6 Ų143.688%0.88379%0.79SS**  trans-20.2113.2153.3-58.5175.3-176-133.90.1113.6
233H31.5Very low33Very low168 Ų168143.2 Ų143.278%0.77880%0.799SS**  trans-133.6108.4144.4-81.2-81.1000108K231 S235K231-H233 PolarHBondContact O-N 3.16Å; H233-S235 VanDerWaalsContact C-N 3.34Å; H233-S235 PolarHBondContact O-N 3.03Å
234I29.5Very low32.5Very low173 Ų173144.3 Ų144.389%0.88780%0.802SS**  trans-79.489.4169.8-16.3172.8000104.7
235S32.7Very low32.5Very low104 Ų104141.6 Ų141.673%0.72780%0.798SS**  trans-96.5115.4177.3-60.70000109.3H233H233-S235 VanDerWaalsContact C-N 3.34Å; H233-S235 PolarHBondContact O-N 3.03Å
236V34.5Very low32.3Very low124 Ų124142.4 Ų142.475%0.75279%0.794SS**  trans-49.8143.2175.31740000111.1S238V236-S238 PolarHBondContact O-N 2.8Å
237P29.8Very low31.9Very low126 Ų126143.5 Ų143.582%0.81880%0.795SS**  trans-77113.1-177.524.4-18.2000110
238S32.6Very low31.7Very low119 Ų119140.2 Ų140.283%0.83279%0.791SS**  trans-101.4130.3162.2-78.30000109.8V236V236-S238 PolarHBondContact O-N 2.8Å
239S28.2Very low31.4Very low107 Ų107139.3 Ų139.375%0.74879%0.791SS**  trans-69.9164.2-178.847.60000113.7
240S30.3Very low31.3Very low96 Ų96135.3 Ų135.367%0.67178%0.781SS**  trans72.1109.6155.361.20000117.9
241F33.4Very low31.2Very low193 Ų193136.1 Ų136.185%0.84678%0.783SS**  -177.5140.790.1-113.5-91.8000111.3
242T26.3Very low31Very low111 Ų111134 Ų13468%0.68178%0.78SS**  trans-64.9140169.643.40000111.6
243S35.7Very low31.2Very low121 Ų121130.4 Ų130.485%0.84678%0.779SS**  trans-143.8103151-82.50000109.5
244T26.9Very low31.4Very low120 Ų120127.2 Ų127.274%0.73678%0.776SS**  trans-65.8122.9166.2-39.60000108.5
245T33.7Very low31.8Very low134 Ų134125.9 Ų125.982%0.82277%0.769SS**  trans-141.1113.8156.3-55.30000108.2
246N28Very low32Very low132 Ų132127.7 Ų127.771%0.70677%0.77SS**  trans-62.2170172.5-70.6-24.2000111.2
247V29.1Very low31.9Very low132 Ų132128.9 Ų128.980%0.877%0.772SS**  trans93.592.9160-1640000114.9
248T31.3Very low32.1Very low121 Ų121130.5 Ų130.574%0.74277%0.773SS**  171.6134.393.8-51.90000110A250T248-A250 PolarHBondContact O-N 3.4Å
249T28.4Very low32.3Very low134 Ų134129.4 Ų129.482%0.82277%0.765SS**  trans-49.1114.6171.7-27.10000113.1
250A32.6Very low32.8Very low82 Ų82128.9 Ų128.968%0.67877%0.767SS**  trans-149.1105.5156.500000108.3T248 N252T248-A250 PolarHBondContact O-N 3.4Å; A250-N252 VanDerWaalsContact C-N 3.33Å; A250-N252 PolarHBondContact O-N 3.01Å
251T30Very low33.1Very low134 Ų134129.7 Ų129.782%0.82277%0.768SS**  trans-68.282.2-175.9-37.80000110.5
252N33.6Very low33.5Very low148 Ų148130.3 Ų130.379%0.79177%0.77SS**  trans-109.9120.4169.2-80.5-20.3000109.6A250 S254A250-N252 VanDerWaalsContact C-N 3.33Å; A250-N252 PolarHBondContact O-N 3.01Å; N252-S254 PolarHBondContact O-N 3.2Å
253N36.7Very low34.2Very low160 Ų160130.9 Ų130.986%0.85677%0.774SS**  trans-45.7100.9176.4-73.8-29.4000111.4I255N253-I255 PolarHBondContact O-N 3.33Å
254S35.9Very low34.3Very low101 Ų101128.1 Ų128.171%0.70677%0.765SS**  trans-79100174.3-174.20000108.6N252 N256N252-S254 PolarHBondContact O-N 3.2Å; S254-N256 PolarHBondContact O-N 3.4Å; S254-N256 VanDerWaalsContact O-N 3.09Å
255I38.6Very low34.7Very low145 Ų145129.3 Ų129.374%0.74477%0.765SS**  trans-63.5106.8165.5-63.7168.1000106.1N253 N257N253-I255 PolarHBondContact O-N 3.33Å; I255-N257 VanDerWaalsContact C-N 3.33Å; I255-N257 PolarHBondContact O-N 2.91Å
256N36.6Very low34.6Very low141 Ų141128.9 Ų128.975%0.75476%0.763SS**  trans-59.896.1173.2-75.3-25.5000108.9S254 I258S254-N256 PolarHBondContact O-N 3.4Å; S254-N256 VanDerWaalsContact O-N 3.09Å; N256-I258 PolarHBondContact O-N 2.89Å
257N32.5Very low35.1Very low149 Ų149129 Ų12980%0.79776%0.761SS**  trans-64.398.6167.6-93.4-11.8000108I255 S259I255-N257 VanDerWaalsContact C-N 3.33Å; I255-N257 PolarHBondContact O-N 2.91Å; N257-S259 VanDerWaalsContact C-N 3.29Å; N257-S259 PolarHBondContact O-N 2.95Å
258I34.1Very low35.2Very low161 Ų161132 Ų13283%0.82676%0.764SS**  trans-66.895.1163.9-60172.1000106N256 A260N256-I258 PolarHBondContact O-N 2.89Å; I258-A260 PolarHBondContact O-N 3.45Å
259S35.6Very low35.4Very low96 Ų96135.8 Ų135.867%0.67177%0.765SS**  trans-65.7104.4171.864.30000108.1N257 T261N257-S259 VanDerWaalsContact C-N 3.29Å; N257-S259 PolarHBondContact O-N 2.95Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.87Å
260A40.4Very low35.6Very low95 Ų95138.3 Ų138.379%0.78577%0.767SS**  trans-63.295.3169.900000108.6I258 K262I258-A260 PolarHBondContact O-N 3.45Å; A260-K262 PolarHBondContact O-N 3.36Å
261T35Very low35.9Very low114 Ų114142 Ų14270%0.69978%0.775SS**  trans-60.8111.7171.447.20000108.1S259 T263S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.87Å; T261-T263 VanDerWaalsContact C-N 3.28Å; T261-T263 PolarHBondContact O-N 3.38Å
262K42.3Very low36.4Very low206 Ų206141.3 Ų141.390%0.89678%0.775SS**  trans-60.984.3176.7-173.5178.9-177.5178.90109.9A260 G264A260-K262 PolarHBondContact O-N 3.36Å; K262-G264 VanDerWaalsContact C-N 3.31Å; K262-G264 PolarHBondContact O-N 2.95Å
263T40.6Very low36.4Very low122 Ų122142.9 Ų142.975%0.74878%0.778SS**  trans-69.490167.837.10000108.6T261 I265T261-T263 VanDerWaalsContact C-N 3.28Å; T261-T263 PolarHBondContact O-N 3.38Å; T263-I265 PolarHBondContact O-N 2.64Å
264G38.8Very low36.4Very low64 Ų64139.3 Ų139.366%0.6677%0.77SS**  trans-71.7107.2169.400000109.6K262K262-G264 VanDerWaalsContact C-N 3.31Å; K262-G264 PolarHBondContact O-N 2.95Å
265I35.3Very low36.5Very low144 Ų144140.7 Ų140.774%0.73877%0.774SS**  trans-82.9113.8171.1-58.8175.3000107.5T263 I267T263-I265 PolarHBondContact O-N 2.64Å; I265-I267 HydrophobicContact CG2-CG1 3.9Å
266T32.2Very low36.4Very low126 Ų126140.6 Ų140.677%0.77377%0.774SS**  trans-88.9110170.9-51.40000109.4
267I37.6Very low36.1Very low133 Ų133139.4 Ų139.468%0.68278%0.776SS**  trans-97107.9174.4-55.3176.5000108.1I265 R269I265-I267 HydrophobicContact CG2-CG1 3.9Å; I267-R269 HydrophobicContact CG2-CG 4.37Å; I267-R269 PolarHBondContact O-N 2.81Å
268K32Very low36.3Very low195 Ų195139.3 Ų139.385%0.84877%0.774SS**  trans-80107.8168-73-175.4177.8-178.70108.6
269R35.4Very low36.5Very low202 Ų202142.6 Ų142.676%0.76278%0.776SS**  trans-81.6122.8169.3-67.6-174.8179.81761.7108.6I267I267-R269 HydrophobicContact CG2-CG 4.37Å; I267-R269 PolarHBondContact O-N 2.81Å
270Q31.7Very low36.4Very low187 Ų187143.4 Ų143.487%0.87478%0.779SS**  trans-78.7116.3165.4-71.6-106.310.600107
271L39.9Very low36.5Very low160 Ų160143.5 Ų143.584%0.83878%0.78SS**  trans-83.7111.6171.5-65.1174.1000107.3E273L271-E273 PolarHBondContact O-N 3.03Å
272S39.5Very low36.8Very low119 Ų119144.4 Ų144.483%0.83279%0.786SS**  trans-66.7124.8171.8-55.40000109.2A274S272-A274 PolarHBondContact O-N 2.93Å
273E33.2Very low36.8Very low181 Ų181139.7 Ų139.785%0.84678%0.778SS**  trans-64110.8177.3-170174.8-172.400109.8L271 V275L271-E273 PolarHBondContact O-N 3.03Å; E273-V275 PolarHBondContact O-N 3Å
274A36.8Very low36.8Very low84 Ų84145.7 Ų145.769%0.69479%0.787SS**  trans-80.9102.6174.600000108.9S272 I276S272-A274 PolarHBondContact O-N 2.93Å; A274-I276 PolarHBondContact O-N 2.77Å; A274-I276 VanDerWaalsContact O-N 3.09Å
275V38Very low36.8Very low131 Ų131149.8 Ų149.879%0.79479%0.793SS**  trans-71101.9174.1-178.50000108.8E273 S277E273-V275 PolarHBondContact O-N 3Å; V275-S277 PolarHBondContact O-N 2.94Å
276I36.2Very low37.1Very low143 Ų143148.7 Ų148.773%0.73379%0.788SS**  trans-80.5109.9174.2-58.7172.5000107.9A274 I278A274-I276 PolarHBondContact O-N 2.77Å; A274-I276 VanDerWaalsContact O-N 3.09Å; I276-I278 HydrophobicContact CG2-CG1 4.36Å; I276-I278 PolarHBondContact O-N 3.42Å
277S31.1Very low37.6Very low115 Ų115150.8 Ų150.880%0.80480%0.795SS**  trans-75.5105.7173.1-173.90000109.8V275V275-S277 PolarHBondContact O-N 2.94Å
278I36.4Very low37.6Very low147 Ų147150.8 Ų150.875%0.75480%0.796SS**  trans-86.2112.6174.9-53.4175.4000107.8I276I276-I278 HydrophobicContact CG2-CG1 4.36Å; I276-I278 PolarHBondContact O-N 3.42Å
279R37.4Very low38.4Very low231 Ų231153 Ų15387%0.87282%0.817SS**  trans-73.7126.5173.3-164.4175.9-170.4151.32.1109A281R279-A281 PolarHBondContact O-N 3.05Å
280P34.9Very low38.5Very low113 Ų113150.6 Ų150.673%0.73482%0.82SS**  trans-64.1128.9178.6-17.529.5000110.2T282P280-T282 PolarHBondContact O-N 3.04Å
281A43.1Very low38.9Very low97 Ų97148.6 Ų148.680%0.80282%0.817SS**  trans-66114.1170.800000108.7R279 S283R279-A281 PolarHBondContact O-N 3.05Å; A281-S283 PolarHBondContact O-N 2.96Å
282T40.9Very low38.8Very low133 Ų133148 Ų14882%0.81682%0.816SS**  trans-59.7107.3166.219.50000108.5P280 R284P280-T282 PolarHBondContact O-N 3.04Å; T282-R284 PolarHBondContact O-N 3.11Å
283S42.6Very low38.8Very low106 Ų106149.7 Ų149.774%0.74182%0.815SS**  trans-58.5106.2165.149.70000108A281 L285A281-S283 PolarHBondContact O-N 2.96Å; S283-L285 PolarHBondContact O-N 2.81Å
284R40.5Very low39.2Very low249 Ų249147.8 Ų147.894%0.9481%0.813SS**  trans-69.193.9162.4-75-172.3177.3-178.3-1106.7T282T282-R284 PolarHBondContact O-N 3.11Å
285L38.7Very low39.3Very low149 Ų149152 Ų15278%0.7882%0.821SS**  trans-59.1143.8166.9-155.895.8000108.3S283S283-L285 PolarHBondContact O-N 2.81Å
286L41.1Very low39.4Very low122 Ų122153.5 Ų153.564%0.63982%0.823SS**  trans-55.6132.6-175.7-59.7101000112.9
287D42.4Very low39.7Very low170 Ų170154.3 Ų154.391%0.90983%0.83SS**  trans-102.688.9146.1-75-34.7000106.8
288N37.1Very low40.4Very low132 Ų132157.6 Ų157.671%0.70683%0.832SS**  trans-82.8106.4158.7-81.3-12000106.6
289N49.2Very low40.7Very low242 Ų242158.5 Ų158.5100%1.29484%0.839SS**  trans-155.70150.3-95.9-19.3000109

Retrieved 289 of 289 residues in 381.6 ms (Link to these results)

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