A0A087WPA4_MOUSE Loading...

Uncharacterized protein C19orf47 homolog

AlphaFold DB , UniProt , Accession A0A087WPA4, Species MOUSE (Mus musculus, Mouse), Gene 2310022A10Rik, Length 190 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
1M48.9Very low74.7Confident238 Ų23891.6 Ų91.6100%1.17252%0.521SS*.  0131.30-63165.1-176.700106.8S3M1-S3 PolarHBondContact O-N 3.35Å
2V52.5Low76.4Confident145 Ų14588.1 Ų88.188%0.87950%0.498SS*.  trans-71.2123167.6-92.30000108V4V2-V4 PolarHBondContact O-N 3.44Å
3S59.1Low77.8Confident69 Ų6987 Ų8748%0.48349%0.487SS..  trans-64.4126.2-177.4-53.90000110M1 T5 M6 A7M1-S3 PolarHBondContact O-N 3.35Å; S3-T5 PolarHBondContact O-N 3.46Å; S3-T5 VanDerWaalsContact O-N 3.13Å; S3-M6 WeakPolarHBondContact O-CB 3.47Å; S3-M6 PolarHBondContact O-N 2.9Å; S3-A7 PolarHBondContact O-N 2.96Å
4V68.2Low79Confident95 Ų9581.6 Ų81.658%0.57646%0.456SS*.Hα-helixtrans-51.1-40.8180179.30000111.1V2 M6 A7 T8 V33V2-V4 PolarHBondContact O-N 3.44Å; V4-M6 VanDerWaalsContact C-N 3.27Å; V4-M6 PolarHBondContact O-N 3.23Å; V4-A7 PolarHBondContact O-N 3.04Å; V4-A7 VanDerWaalsContact O-N 3.12Å; V4-T8 PolarHBondContact O-N 2.88Å; V4-T8 PolarHBondContact O-OG1 3.13Å; V4-T8 VanDerWaalsContact O-OG1 3.04Å; V4-V33 HydrophobicContact CG1-CG1 4.07Å
5T70.9Confident80.1Confident105 Ų10576.2 Ų76.264%0.64443%0.425SS*.Hα-helixtrans-54.9-34.6175.850.70000114.6S3 S9S3-T5 PolarHBondContact O-N 3.46Å; S3-T5 VanDerWaalsContact O-N 3.13Å; T5-S9 WeakPolarHBondContact O-CB 3.45Å; T5-S9 PolarHBondContact O-N 3.12Å; T5-S9 VanDerWaalsContact O-N 3.14Å
6M76.1Confident81.1Confident121 Ų12178.9 Ų78.960%0.59643%0.431SS*.Hα-helixtrans-73-44.7176.7-65.7-64.7-178.100110.8S3 V4 T8 S9 E10S3-M6 WeakPolarHBondContact O-CB 3.47Å; S3-M6 PolarHBondContact O-N 2.9Å; V4-M6 VanDerWaalsContact C-N 3.27Å; V4-M6 PolarHBondContact O-N 3.23Å; M6-T8 VanDerWaalsContact C-N 3.35Å; M6-T8 PolarHBondContact O-N 3.14Å; M6-S9 PolarHBondContact O-N 2.99Å; M6-S9 VanDerWaalsContact O-N 3.12Å; M6-S9 PolarHBondContact O-OG 3.09Å; M6-E10 PolarHBondContact O-N 2.6Å; M6-E10 VanDerWaalsContact O-N 3.14Å
7A79.6Confident81.9Confident36 Ų3680.6 Ų80.630%0.29844%0.436SS..Hα-helixtrans-60.9-42.9176.900000111.8S3 V4 S9 E10 W11 V33S3-A7 PolarHBondContact O-N 2.96Å; V4-A7 PolarHBondContact O-N 3.04Å; V4-A7 VanDerWaalsContact O-N 3.12Å; A7-S9 VanDerWaalsContact C-N 3.32Å; A7-S9 PolarHBondContact O-N 3.06Å; A7-E10 PolarHBondContact O-N 3.14Å; A7-W11 VanDerWaalsContact O-CD1 3.25Å; A7-W11 PolarHBondContact O-N 3.12Å; A7-V33 HydrophobicContact CB-CG1 4.49Å; A7-V33 HydrophobicContact CB-CG2 3.99Å
8T88.1Confident82.6Confident21 Ų2177.3 Ų77.313%0.12942%0.421CS..Hα-helixtrans-62.5-39174.5-450000111.5V4 M6 E10 W11 I12 A29 V30V4-T8 PolarHBondContact O-N 2.88Å; V4-T8 PolarHBondContact O-OG1 3.13Å; V4-T8 VanDerWaalsContact O-OG1 3.04Å; M6-T8 VanDerWaalsContact C-N 3.35Å; M6-T8 PolarHBondContact O-N 3.14Å; T8-E10 PolarHBondContact O-N 3.41Å; T8-W11 PolarHBondContact O-N 3.44Å; T8-I12 HydrophobicContact CG2-CD1 4.06Å; T8-I12 HydrophobicContact CG2-CG1 4.48Å; T8-I12 VanDerWaalsContact O-CG1 3.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.29Å; T8-I12 PolarHBondContact O-N 3.5Å; T8-A29 HydrophobicContact CG2-CB 3.76Å; T8-V30 HydrophobicContact CG2-CG2 3.97Å
9S90Very high83.2Confident59 Ų5976.4 Ų76.441%0.41343%0.432SS..Hα-helixtrans-65.6-35.9179.9770000113.6T5 M6 A7 I12 Q13T5-S9 WeakPolarHBondContact O-CB 3.45Å; T5-S9 PolarHBondContact O-N 3.12Å; T5-S9 VanDerWaalsContact O-N 3.14Å; M6-S9 PolarHBondContact O-N 2.99Å; M6-S9 VanDerWaalsContact O-N 3.12Å; M6-S9 PolarHBondContact O-OG 3.09Å; A7-S9 VanDerWaalsContact C-N 3.32Å; A7-S9 PolarHBondContact O-N 3.06Å; S9-I12 PolarHBondContact O-N 3.27Å; S9-Q13 PolarHBondContact O-N 3.33Å; S9-Q13 VanDerWaalsContact O-N 3.11Å
10E92.9Very high83.9Confident102 Ų10272.8 Ų72.848%0.47741%0.411SS..Hα-helixtrans-63.7-42.2173.5-72.1-171.9-139.700111.9M6 A7 T8 Q13 F14 K39M6-E10 PolarHBondContact O-N 2.6Å; M6-E10 VanDerWaalsContact O-N 3.14Å; A7-E10 PolarHBondContact O-N 3.14Å; T8-E10 PolarHBondContact O-N 3.41Å; E10-Q13 PolarHBondContact O-N 3.47Å; E10-F14 PolarHBondContact O-N 2.93Å; E10-K39 IonicContact OE2-NZ 2.6Å; E10-K39 PolarHBondContact OE2-NZ 2.73Å
11W95Very high84.4Confident17 Ų1772.9 Ų72.96%0.06441%0.414CS..Hα-helixtrans-69.4-38.5177.4-74.8116.3000112.6A7 T8 Q13 F14 F15 A29 F32 I37 K39 L42A7-W11 VanDerWaalsContact O-CD1 3.25Å; A7-W11 PolarHBondContact O-N 3.12Å; T8-W11 PolarHBondContact O-N 3.44Å; W11-Q13 VanDerWaalsContact C-N 3.3Å; W11-Q13 PolarHBondContact O-N 3.46Å; W11-F14 HydrophobicContact CE3-CB 4.22Å; W11-F14 AromaticContact CE3-CD1 3.84Å; W11-F14 HydrophobicContact CE3-CD1 3.84Å; W11-F14 HydrophobicContact CE3-CE1 4.41Å; W11-F14 HydrophobicContact CE3-CG 4.05Å; W11-F14 AromaticContact CZ3-CD1 3.91Å; W11-F14 HydrophobicContact CZ3-CD1 3.91Å; W11-F14 HydrophobicContact CZ3-CD2 4.41Å; W11-F14 HydrophobicContact CZ3-CE1 4.08Å; W11-F14 HydrophobicContact CZ3-CG 4.09Å; W11-F14 HydrophobicContact CZ3-CZ 4.4Å; W11-F14 WeakPolarHBondContact O-CB 3.31Å; W11-F14 PolarHBondContact O-N 3.35Å; W11-F15 HydrophobicContact CB-CE2 4.09Å; W11-F15 HydrophobicContact CE3-CZ 4.34Å; W11-F15 WeakPolarHBondContact O-CD2 3.28Å; W11-F15 WeakPolarHBondContact O-CG 3.35Å; W11-F15 PolarHBondContact O-N 3.22Å; W11-A29 HydrophobicContact CB-CB 3.61Å; W11-F32 HydrophobicContact CD2-CB 4.14Å; W11-F32 AromaticContact CD2-CD1 3.98Å; W11-F32 HydrophobicContact CD2-CD1 3.98Å; W11-F32 HydrophobicContact CD2-CG 4.48Å; W11-F32 AromaticContact CE3-CD1 3.68Å; W11-F32 HydrophobicContact CE3-CD1 3.68Å; W11-F32 HydrophobicContact CE3-CE1 4.26Å; W11-F32 HydrophobicContact CE3-CG 4.48Å; W11-F32 HydrophobicContact CG-CB 4.21Å; W11-F32 AromaticContact CH2-CD1 3.88Å; W11-F32 HydrophobicContact CH2-CD1 3.88Å; W11-F32 HydrophobicContact CH2-CE1 4.32Å; W11-F32 HydrophobicContact CZ2-CD1 4.14Å; W11-F32 AromaticContact CZ3-CD1 3.64Å; W11-F32 HydrophobicContact CZ3-CD1 3.64Å; W11-F32 AromaticContact CZ3-CE1 3.93Å; W11-F32 HydrophobicContact CZ3-CE1 3.93Å; W11-I37 HydrophobicContact CH2-CG2 4.36Å; W11-I37 HydrophobicContact CZ2-CG2 4.45Å; W11-I37 VanDerWaalsContact CZ2-O 3.32Å; W11-I37 WeakPolarHBondContact CZ2-O 3.31Å; W11-K39 HydrophobicContact CH2-CG 4.13Å; W11-K39 HydrophobicContact CZ2-CG 4.37Å; W11-L42 HydrophobicContact CH2-CD2 4.02Å; W11-L42 HydrophobicContact CZ3-CD2 4.02Å
12I95.1Very high86.5Confident49 Ų4966 Ų6625%0.25139%0.388SS..Hα-helixtrans-57-44.7172.1-69.7163.3000110.7T8 S9 F15 K16 V26 A29T8-I12 HydrophobicContact CG2-CD1 4.06Å; T8-I12 HydrophobicContact CG2-CG1 4.48Å; T8-I12 VanDerWaalsContact O-CG1 3.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.29Å; T8-I12 PolarHBondContact O-N 3.5Å; S9-I12 PolarHBondContact O-N 3.27Å; I12-F15 PolarHBondContact O-N 3.44Å; I12-K16 WeakPolarHBondContact O-CB 3.42Å; I12-K16 PolarHBondContact O-N 3.11Å; I12-V26 HydrophobicContact CD1-CB 4.49Å; I12-V26 HydrophobicContact CD1-CG2 3.88Å; I12-V26 HydrophobicContact CG1-CG2 4.15Å; I12-A29 HydrophobicContact CD1-CB 4.49Å; I12-A29 HydrophobicContact CG1-CB 3.58Å
13Q94.4Very high88.4Confident74 Ų7461.9 Ų61.935%0.34637%0.374SS..Hα-helixtrans-68.1-38.8178.7-178.161.825.600111.8S9 E10 W11 K16 E17S9-Q13 PolarHBondContact O-N 3.33Å; S9-Q13 VanDerWaalsContact O-N 3.11Å; E10-Q13 PolarHBondContact O-N 3.47Å; W11-Q13 VanDerWaalsContact C-N 3.3Å; W11-Q13 PolarHBondContact O-N 3.46Å; Q13-K16 PolarHBondContact O-N 3.35Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.24Å; Q13-E17 PolarHBondContact NE2-OE1 3.27Å; Q13-E17 WeakPolarHBondContact O-CB 3.44Å; Q13-E17 WeakPolarHBondContact O-CG 3.33Å; Q13-E17 PolarHBondContact O-N 3.17Å
14F95.2Very high90.1Very high12 Ų1261 Ų615%0.05337%0.366CS..Hα-helixtrans-58.8-45.5171.9171.4-88.2000112.4E10 W11 E17 A18 L42 I64 H67 V71E10-F14 PolarHBondContact O-N 2.93Å; W11-F14 HydrophobicContact CE3-CB 4.22Å; W11-F14 AromaticContact CE3-CD1 3.84Å; W11-F14 HydrophobicContact CE3-CD1 3.84Å; W11-F14 HydrophobicContact CE3-CE1 4.41Å; W11-F14 HydrophobicContact CE3-CG 4.05Å; W11-F14 AromaticContact CZ3-CD1 3.91Å; W11-F14 HydrophobicContact CZ3-CD1 3.91Å; W11-F14 HydrophobicContact CZ3-CD2 4.41Å; W11-F14 HydrophobicContact CZ3-CE1 4.08Å; W11-F14 HydrophobicContact CZ3-CG 4.09Å; W11-F14 HydrophobicContact CZ3-CZ 4.4Å; W11-F14 WeakPolarHBondContact O-CB 3.31Å; W11-F14 PolarHBondContact O-N 3.35Å; F14-E17 PolarHBondContact O-N 3.2Å; F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.39Å; F14-L42 HydrophobicContact CE1-CD2 4.39Å; F14-L42 HydrophobicContact CE2-CD1 3.71Å; F14-L42 HydrophobicContact CE2-CD2 4.09Å; F14-L42 HydrophobicContact CZ-CD1 4.15Å; F14-L42 HydrophobicContact CZ-CD2 3.67Å; F14-I64 HydrophobicContact CE1-CG2 4.3Å; F14-H67 AromaticContact CD2-CD2 3.47Å; F14-H67 VanDerWaalsContact CD2-CD2 3.47Å; F14-H67 WeakPolarHBondContact CD2-CD2 3.27Å; F14-H67 AromaticContact CD2-NE2 3.69Å; F14-H67 AromaticContact CE2-CD2 3.36Å; F14-H67 WeakPolarHBondContact CE2-CD2 3.15Å; F14-H67 AromaticContact CE2-NE2 3.97Å; F14-H67 AromaticContact CG-CD2 3.97Å; F14-H67 AromaticContact CZ-CD2 3.76Å; F14-H67 PolarHBondContact O-CD2 3.19Å; F14-V71 HydrophobicContact CD2-CG2 4.1Å; F14-V71 HydrophobicContact CE2-CB 4.4Å; F14-V71 HydrophobicContact CE2-CG2 3.88Å
15F96Very high91.4Very high0 Ų056.4 Ų56.40%034%0.339CS..Hα-helixtrans-68.5-36.5178-65-51.1000112.7W11 I12 A18 G19 I20 A25 A29 F32 I64W11-F15 HydrophobicContact CB-CE2 4.09Å; W11-F15 HydrophobicContact CE3-CZ 4.34Å; W11-F15 WeakPolarHBondContact O-CD2 3.28Å; W11-F15 WeakPolarHBondContact O-CG 3.35Å; W11-F15 PolarHBondContact O-N 3.22Å; I12-F15 PolarHBondContact O-N 3.44Å; F15-A18 WeakPolarHBondContact O-CB 3.35Å; F15-A18 PolarHBondContact O-N 3.39Å; F15-G19 PolarHBondContact O-N 3.33Å; F15-G19 VanDerWaalsContact O-N 3.12Å; F15-I20 HydrophobicContact CB-CB 4.22Å; F15-I20 HydrophobicContact CB-CD1 4.34Å; F15-I20 HydrophobicContact CD1-CD1 4.02Å; F15-I20 HydrophobicContact CG-CD1 4.49Å; F15-I20 WeakPolarHBondContact O-CB 3.48Å; F15-I20 PolarHBondContact O-N 3.17Å; F15-A25 HydrophobicContact CB-CB 3.73Å; F15-A29 HydrophobicContact CD2-CB 4.26Å; F15-A29 HydrophobicContact CE2-CB 4.12Å; F15-F32 HydrophobicContact CE1-CE1 4.26Å; F15-F32 HydrophobicContact CE1-CE2 4.26Å; F15-F32 HydrophobicContact CE1-CZ 4.02Å; F15-F32 HydrophobicContact CE2-CD2 4.47Å; F15-F32 HydrophobicContact CE2-CG 4.45Å; F15-F32 AromaticContact CZ-CD1 3.89Å; F15-F32 HydrophobicContact CZ-CD1 3.89Å; F15-F32 AromaticContact CZ-CD2 3.75Å; F15-F32 HydrophobicContact CZ-CD2 3.75Å; F15-F32 AromaticContact CZ-CE1 3.85Å; F15-F32 HydrophobicContact CZ-CE1 3.85Å; F15-F32 AromaticContact CZ-CE2 3.71Å; F15-F32 HydrophobicContact CZ-CE2 3.71Å; F15-F32 AromaticContact CZ-CG 3.84Å; F15-F32 HydrophobicContact CZ-CG 3.84Å; F15-F32 AromaticContact CZ-CZ 3.76Å; F15-F32 HydrophobicContact CZ-CZ 3.76Å; F15-I64 HydrophobicContact CD1-CD1 3.97Å; F15-I64 HydrophobicContact CD1-CG1 3.78Å; F15-I64 HydrophobicContact CE1-CD1 3.59Å; F15-I64 HydrophobicContact CE1-CG1 3.67Å; F15-I64 HydrophobicContact CE1-CG2 4.46Å
16K95.4Very high92.5Very high120 Ų12054.8 Ų54.852%0.52233%0.329SS..Hα-helixtrans-63.4-38.7172.2174.7179.8157.4-152.90112.3I12 Q13 G19I12-K16 WeakPolarHBondContact O-CB 3.42Å; I12-K16 PolarHBondContact O-N 3.11Å; Q13-K16 PolarHBondContact O-N 3.35Å; K16-G19 PolarHBondContact O-N 2.88Å
17E94.7Very high93.4Very high108 Ų10853.7 Ų53.751%0.50533%0.325SS..Hα-helixtrans-74.1-26.3173.9-73.5-179.7-148.700113.3Q13 F14 G19Q13-E17 WeakPolarHBondContact CG-OE1 3.24Å; Q13-E17 PolarHBondContact NE2-OE1 3.27Å; Q13-E17 WeakPolarHBondContact O-CB 3.44Å; Q13-E17 WeakPolarHBondContact O-CG 3.33Å; Q13-E17 PolarHBondContact O-N 3.17Å; F14-E17 PolarHBondContact O-N 3.2Å; E17-G19 PolarHBondContact O-N 2.93Å
18A95.1Very high94.2Very high20 Ų2052.7 Ų52.717%0.16531%0.314CS..Hα-helixtrans-69.2-19166.600000113.1F14 F15 A63 H67F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.39Å; F15-A18 WeakPolarHBondContact O-CB 3.35Å; F15-A18 PolarHBondContact O-N 3.39Å; A18-A63 HydrophobicContact CB-CB 4.37Å; A18-H67 HydrophobicContact CB-CB 3.53Å
19G94.4Very high94.5Very high61 Ų6151.7 Ų51.763%0.62931%0.308SS*.THydrogen-bonded Turntrans99.211.7-179.900000115.1F15 K16 E17F15-G19 PolarHBondContact O-N 3.33Å; F15-G19 VanDerWaalsContact O-N 3.12Å; K16-G19 PolarHBondContact O-N 2.88Å; E17-G19 PolarHBondContact O-N 2.93Å
20I95.6Very high94.7Very high4 Ų451.3 Ų51.32%0.02130%0.303CS..  trans-76.9138178-61.5-177.1000110F15 P24 A25 Y28 D60 A63 I64F15-I20 HydrophobicContact CB-CB 4.22Å; F15-I20 HydrophobicContact CB-CD1 4.34Å; F15-I20 HydrophobicContact CD1-CD1 4.02Å; F15-I20 HydrophobicContact CG-CD1 4.49Å; F15-I20 WeakPolarHBondContact O-CB 3.48Å; F15-I20 PolarHBondContact O-N 3.17Å; I20-P24 HydrophobicContact CG2-CB 4.15Å; I20-A25 HydrophobicContact CG2-CB 4.2Å; I20-Y28 HydrophobicContact CD1-CD2 4.28Å; I20-Y28 HydrophobicContact CD1-CE2 4.42Å; I20-Y28 HydrophobicContact CG2-CD2 4.27Å; I20-Y28 HydrophobicContact CG2-CE2 4.16Å; I20-D60 HydrophobicContact CD1-CB 3.7Å; I20-D60 HydrophobicContact CG1-CB 4.19Å; I20-A63 HydrophobicContact CG1-CB 4.16Å; I20-I64 HydrophobicContact CD1-CD1 3.87Å; I20-I64 HydrophobicContact CD1-CG1 3.69Å
21P95.5Very high94.7Very high74 Ų7449.1 Ų49.148%0.48129%0.294SS..  trans-59.6147.8176.7-23.633.9000113G23 P24 A25P21-G23 PolarHBondContact O-N 3.08Å; P21-G23 VanDerWaalsContact O-N 3.08Å; P21-P24 WeakPolarHBondContact O-CD 3.5Å; P21-A25 WeakPolarHBondContact O-CB 3.34Å; P21-A25 PolarHBondContact O-N 3.13Å
22P92.3Very high94.7Very high95 Ų9548.3 Ų48.362%0.61729%0.29SS*.Hα-helixtrans-57.8-28.2-174.9-28.936.3000116V26P22-V26 WeakPolarHBondContact O-CG2 3.41Å; P22-V26 PolarHBondContact O-N 3.33Å
23G93.1Very high94.7Very high57 Ų5747.4 Ų47.459%0.58829%0.287SS*.Hα-helixtrans-63.4-66.2179.100000112.9P21 A25 V26P21-G23 PolarHBondContact O-N 3.08Å; P21-G23 VanDerWaalsContact O-N 3.08Å; G23-A25 VanDerWaalsContact C-N 3.26Å; G23-A25 PolarHBondContact O-N 3.26Å; G23-V26 PolarHBondContact O-N 2.99Å
24P94.3Very high94.6Very high50 Ų5048.4 Ų48.433%0.32530%0.295SS..Hα-helixtrans-56.5-37.6174.4-26.534.9000113.6I20 P21 V26 N27 Y28I20-P24 HydrophobicContact CG2-CB 4.15Å; P21-P24 WeakPolarHBondContact O-CD 3.5Å; P24-V26 VanDerWaalsContact C-N 3.28Å; P24-V26 PolarHBondContact O-N 3.05Å; P24-N27 PolarHBondContact O-N 2.85Å; P24-Y28 HydrophobicContact CB-CD2 4.17Å; P24-Y28 HydrophobicContact CB-CE2 3.54Å; P24-Y28 WeakPolarHBondContact O-CD2 3.32Å; P24-Y28 PolarHBondContact O-N 3.44Å
25A95.2Very high94.5Very high0 Ų052.4 Ų52.40%032%0.317CS..Hα-helixtrans-56.2-35.7-179.200000114F15 I20 P21 G23 A29F15-A25 HydrophobicContact CB-CB 3.73Å; I20-A25 HydrophobicContact CG2-CB 4.2Å; P21-A25 WeakPolarHBondContact O-CB 3.34Å; P21-A25 PolarHBondContact O-N 3.13Å; G23-A25 VanDerWaalsContact C-N 3.26Å; G23-A25 PolarHBondContact O-N 3.26Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.4Å
26V94.8Very high94.5Very high71 Ų7162.2 Ų62.243%0.4335%0.354SS..Hα-helixtrans-66.4-44.1175.5173.30000111.3I12 P22 G23 P24 A29 V30I12-V26 HydrophobicContact CD1-CB 4.49Å; I12-V26 HydrophobicContact CD1-CG2 3.88Å; I12-V26 HydrophobicContact CG1-CG2 4.15Å; P22-V26 WeakPolarHBondContact O-CG2 3.41Å; P22-V26 PolarHBondContact O-N 3.33Å; G23-V26 PolarHBondContact O-N 2.99Å; P24-V26 VanDerWaalsContact C-N 3.28Å; P24-V26 PolarHBondContact O-N 3.05Å; V26-A29 PolarHBondContact O-N 3.11Å; V26-V30 PolarHBondContact O-N 3.23Å; V26-V30 VanDerWaalsContact O-N 3.13Å
27N94.8Very high94.4Very high97 Ų9757.5 Ų57.552%0.51933%0.334SS..Hα-helixtrans-66.2-44.3179.7-167.758.9000111.4P24 A29 V30 M31P24-N27 PolarHBondContact O-N 2.85Å; N27-A29 VanDerWaalsContact C-N 3.3Å; N27-A29 PolarHBondContact O-N 3Å; N27-V30 PolarHBondContact O-N 3.39Å; N27-M31 WeakPolarHBondContact O-CG 3.34Å; N27-M31 PolarHBondContact O-N 3.42Å; N27-M31 VanDerWaalsContact O-N 3.08Å
28Y95.4Very high94.3Very high15 Ų1557.8 Ų57.86%0.05934%0.335CS..Hα-helixtrans-63.5-34.9176.1-56.4-30000112.3I20 P24 M31 F32 V55 D60I20-Y28 HydrophobicContact CD1-CD2 4.28Å; I20-Y28 HydrophobicContact CD1-CE2 4.42Å; I20-Y28 HydrophobicContact CG2-CD2 4.27Å; I20-Y28 HydrophobicContact CG2-CE2 4.16Å; P24-Y28 HydrophobicContact CB-CD2 4.17Å; P24-Y28 HydrophobicContact CB-CE2 3.54Å; P24-Y28 WeakPolarHBondContact O-CD2 3.32Å; P24-Y28 PolarHBondContact O-N 3.44Å; Y28-M31 PolarHBondContact O-N 3Å; Y28-F32 VanDerWaalsContact O-CD2 3.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.47Å; Y28-F32 PolarHBondContact O-N 2.95Å; Y28-V55 HydrophobicContact CD1-CG2 3.8Å; Y28-V55 HydrophobicContact CE1-CB 4.29Å; Y28-V55 HydrophobicContact CE1-CG1 4.23Å; Y28-V55 HydrophobicContact CE1-CG2 4Å; Y28-V55 HydrophobicContact CE2-CG1 4.21Å; Y28-V55 HydrophobicContact CG-CG2 4.16Å; Y28-D60 HydrophobicContact CE2-CB 4.19Å; Y28-D60 PolarHBondContact OH-OD2 3.17Å
29A95Very high94Very high0 Ų061.2 Ų61.20%035%0.346CS..Hα-helixtrans-67.1-36.2175.500000113.6T8 W11 I12 F15 A25 V26 N27 V33T8-A29 HydrophobicContact CG2-CB 3.76Å; W11-A29 HydrophobicContact CB-CB 3.61Å; I12-A29 HydrophobicContact CD1-CB 4.49Å; I12-A29 HydrophobicContact CG1-CB 3.58Å; F15-A29 HydrophobicContact CD2-CB 4.26Å; F15-A29 HydrophobicContact CE2-CB 4.12Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.4Å; V26-A29 PolarHBondContact O-N 3.11Å; N27-A29 VanDerWaalsContact C-N 3.3Å; N27-A29 PolarHBondContact O-N 3Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.08Å
30V93.9Very high93.8Very high52 Ų5262 Ų6232%0.31534%0.343SS..Hα-helixtrans-65.4-49.7171.8174.80000109.8T8 V26 N27 F32 V33 D34T8-V30 HydrophobicContact CG2-CG2 3.97Å; V26-V30 PolarHBondContact O-N 3.23Å; V26-V30 VanDerWaalsContact O-N 3.13Å; N27-V30 PolarHBondContact O-N 3.39Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.39Å; V30-V33 PolarHBondContact O-N 2.99Å; V30-D34 VanDerWaalsContact CG1-OD2 3.29Å; V30-D34 WeakPolarHBondContact CG1-OD2 3Å; V30-D34 VanDerWaalsContact O-CG 3.31Å; V30-D34 PolarHBondContact O-N 2.89Å
31M93.9Very high93.7Very high56 Ų5665.4 Ų65.428%0.27636%0.359SS..Hα-helixtrans-58-38.4177.8-63.5-63.49200113.6N27 Y28 N35N27-M31 WeakPolarHBondContact O-CG 3.34Å; N27-M31 PolarHBondContact O-N 3.42Å; N27-M31 VanDerWaalsContact O-N 3.08Å; Y28-M31 PolarHBondContact O-N 3Å; M31-N35 WeakPolarHBondContact O-CB 3.34Å; M31-N35 PolarHBondContact O-N 3.03Å; M31-N35 VanDerWaalsContact O-N 3.09Å; M31-N35 PolarHBondContact O-ND2 2.96Å
32F94.5Very high93.6Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-68.2-36.6175.9-90.1-127.9000112.7W11 F15 Y28 V30 R36 I37 L45 M50 L53 I64W11-F32 HydrophobicContact CD2-CB 4.14Å; W11-F32 AromaticContact CD2-CD1 3.98Å; W11-F32 HydrophobicContact CD2-CD1 3.98Å; W11-F32 HydrophobicContact CD2-CG 4.48Å; W11-F32 AromaticContact CE3-CD1 3.68Å; W11-F32 HydrophobicContact CE3-CD1 3.68Å; W11-F32 HydrophobicContact CE3-CE1 4.26Å; W11-F32 HydrophobicContact CE3-CG 4.48Å; W11-F32 HydrophobicContact CG-CB 4.21Å; W11-F32 AromaticContact CH2-CD1 3.88Å; W11-F32 HydrophobicContact CH2-CD1 3.88Å; W11-F32 HydrophobicContact CH2-CE1 4.32Å; W11-F32 HydrophobicContact CZ2-CD1 4.14Å; W11-F32 AromaticContact CZ3-CD1 3.64Å; W11-F32 HydrophobicContact CZ3-CD1 3.64Å; W11-F32 AromaticContact CZ3-CE1 3.93Å; W11-F32 HydrophobicContact CZ3-CE1 3.93Å; F15-F32 HydrophobicContact CE1-CE1 4.26Å; F15-F32 HydrophobicContact CE1-CE2 4.26Å; F15-F32 HydrophobicContact CE1-CZ 4.02Å; F15-F32 HydrophobicContact CE2-CD2 4.47Å; F15-F32 HydrophobicContact CE2-CG 4.45Å; F15-F32 AromaticContact CZ-CD1 3.89Å; F15-F32 HydrophobicContact CZ-CD1 3.89Å; F15-F32 AromaticContact CZ-CD2 3.75Å; F15-F32 HydrophobicContact CZ-CD2 3.75Å; F15-F32 AromaticContact CZ-CE1 3.85Å; F15-F32 HydrophobicContact CZ-CE1 3.85Å; F15-F32 AromaticContact CZ-CE2 3.71Å; F15-F32 HydrophobicContact CZ-CE2 3.71Å; F15-F32 AromaticContact CZ-CG 3.84Å; F15-F32 HydrophobicContact CZ-CG 3.84Å; F15-F32 AromaticContact CZ-CZ 3.76Å; F15-F32 HydrophobicContact CZ-CZ 3.76Å; Y28-F32 VanDerWaalsContact O-CD2 3.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.47Å; Y28-F32 PolarHBondContact O-N 2.95Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.39Å; F32-R36 PolarHBondContact O-N 3.2Å; F32-I37 HydrophobicContact CB-CB 4.29Å; F32-I37 HydrophobicContact CB-CG1 4.47Å; F32-I37 HydrophobicContact CD1-CB 3.83Å; F32-I37 HydrophobicContact CD1-CG1 4.26Å; F32-I37 HydrophobicContact CD1-CG2 3.65Å; F32-I37 HydrophobicContact CE1-CB 4.48Å; F32-I37 HydrophobicContact CE1-CG2 3.87Å; F32-I37 HydrophobicContact CG-CB 4.17Å; F32-I37 HydrophobicContact CG-CG1 4.24Å; F32-I37 HydrophobicContact CG-CG2 4.44Å; F32-I37 PolarHBondContact O-N 2.9Å; F32-L45 HydrophobicContact CE1-CD1 4Å; F32-L45 HydrophobicContact CZ-CD1 4.16Å; F32-M50 HydrophobicContact CE2-CE 4.22Å; F32-M50 HydrophobicContact CE2-SD 4.49Å; F32-M50 HydrophobicContact CZ-CE 3.79Å; F32-M50 HydrophobicContact CZ-SD 4.11Å; F32-L53 HydrophobicContact CD2-CD1 4Å; F32-L53 HydrophobicContact CE2-CD1 3.67Å; F32-L53 HydrophobicContact CZ-CD1 4.23Å; F32-I64 HydrophobicContact CZ-CG2 4.31Å
33V94.3Very high93.7Very high29 Ų2961.4 Ų61.418%0.17633%0.328CS..Hα-helixtrans-71.9-44.6176.5171.70000111.4V4 A7 A29 V30 N35 R36V4-V33 HydrophobicContact CG1-CG1 4.07Å; A7-V33 HydrophobicContact CB-CG1 4.49Å; A7-V33 HydrophobicContact CB-CG2 3.99Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.08Å; V30-V33 PolarHBondContact O-N 2.99Å; V33-N35 PolarHBondContact O-N 3Å; V33-R36 WeakPolarHBondContact O-CA 3.39Å; V33-R36 PolarHBondContact O-N 3.21Å
34D93.3Very high93.7Very high96 Ų9663.7 Ų63.751%0.51333%0.327SS..Hα-helixtrans-63.8-43.1-178.8-68.2-17.8000111.6V30 R36V30-D34 VanDerWaalsContact CG1-OD2 3.29Å; V30-D34 WeakPolarHBondContact CG1-OD2 3Å; V30-D34 VanDerWaalsContact O-CG 3.31Å; V30-D34 PolarHBondContact O-N 2.89Å; D34-R36 PolarHBondContact O-N 3.35Å
35N94Very high93.7Very high95 Ų9561.7 Ų61.751%0.50831%0.314SS..THydrogen-bonded Turntrans-816.4173.8-66.4-83.6000113.3M31 V33 I37 L53M31-N35 WeakPolarHBondContact O-CB 3.34Å; M31-N35 PolarHBondContact O-N 3.03Å; M31-N35 VanDerWaalsContact O-N 3.09Å; M31-N35 PolarHBondContact O-ND2 2.96Å; V33-N35 PolarHBondContact O-N 3Å; N35-I37 HydrophobicContact CB-CD1 4.34Å; N35-I37 HydrophobicContact CB-CG1 4.26Å; N35-I37 PolarHBondContact O-N 3.31Å; N35-I37 VanDerWaalsContact O-N 3.17Å; N35-L53 HydrophobicContact CB-CD2 3.56Å; N35-L53 VanDerWaalsContact CG-CD2 3.42Å; N35-L53 VanDerWaalsContact ND2-CD2 3.33Å; N35-L53 WeakPolarHBondContact ND2-CD2 3.5Å
36R94.3Very high93.8Very high206 Ų20666.7 Ų66.778%0.77734%0.34SS*.THydrogen-bonded Turntrans55.530.9174.1-54.5-179.3178.9-128.3-2.1114.8F32 V33 D34 Q38F32-R36 PolarHBondContact O-N 3.2Å; V33-R36 WeakPolarHBondContact O-CA 3.39Å; V33-R36 PolarHBondContact O-N 3.21Å; D34-R36 PolarHBondContact O-N 3.35Å; R36-Q38 WeakPolarHBondContact O-CG 3.37Å
37I93.6Very high93.8Very high22 Ų2268.6 Ų68.611%0.11334%0.343CS..  trans-61.4138.3176-53.4-58.3000109.1W11 F32 N35 L45 L53W11-I37 HydrophobicContact CH2-CG2 4.36Å; W11-I37 HydrophobicContact CZ2-CG2 4.45Å; W11-I37 VanDerWaalsContact CZ2-O 3.32Å; W11-I37 WeakPolarHBondContact CZ2-O 3.31Å; F32-I37 HydrophobicContact CB-CB 4.29Å; F32-I37 HydrophobicContact CB-CG1 4.47Å; F32-I37 HydrophobicContact CD1-CB 3.83Å; F32-I37 HydrophobicContact CD1-CG1 4.26Å; F32-I37 HydrophobicContact CD1-CG2 3.65Å; F32-I37 HydrophobicContact CE1-CB 4.48Å; F32-I37 HydrophobicContact CE1-CG2 3.87Å; F32-I37 HydrophobicContact CG-CB 4.17Å; F32-I37 HydrophobicContact CG-CG1 4.24Å; F32-I37 HydrophobicContact CG-CG2 4.44Å; F32-I37 PolarHBondContact O-N 2.9Å; N35-I37 HydrophobicContact CB-CD1 4.34Å; N35-I37 HydrophobicContact CB-CG1 4.26Å; N35-I37 PolarHBondContact O-N 3.31Å; N35-I37 VanDerWaalsContact O-N 3.17Å; I37-L45 HydrophobicContact CG2-CD2 4.24Å; I37-L53 HydrophobicContact CD1-CD1 4.3Å; I37-L53 HydrophobicContact CG1-CD1 4.12Å
38Q92.3Very high93.8Very high114 Ų11470.8 Ų70.853%0.53335%0.35SS..  trans-119.3156-176.8-58.7-174.324.800111.5R36 S40 M41R36-Q38 WeakPolarHBondContact O-CG 3.37Å; Q38-S40 WeakPolarHBondContact CB-OG 3.42Å; Q38-S40 PolarHBondContact O-N 3.37Å; Q38-M41 HydrophobicContact CB-CG 4.3Å; Q38-M41 HydrophobicContact CB-SD 4.24Å; Q38-M41 HydrophobicContact CG-SD 4.38Å; Q38-M41 PolarHBondContact O-N 3Å
39K89.8Confident93.8Very high91 Ų9172.8 Ų72.840%0.39636%0.361SS..G310 helixtrans-60.8-26.6177.1-70.9173.6174.4170.10113.2E10 W11 L42E10-K39 IonicContact OE2-NZ 2.6Å; E10-K39 PolarHBondContact OE2-NZ 2.73Å; W11-K39 HydrophobicContact CH2-CG 4.13Å; W11-K39 HydrophobicContact CZ2-CG 4.37Å; K39-L42 HydrophobicContact CB-CD1 4.32Å; K39-L42 HydrophobicContact CG-CD1 4.48Å; K39-L42 WeakPolarHBondContact O-CB 3.26Å; K39-L42 WeakPolarHBondContact O-CD1 3.28Å; K39-L42 WeakPolarHBondContact O-CG 3.44Å
40S90.8Very high93.8Very high79 Ų7972.8 Ų72.855%0.55236%0.361SS*.G310 helixtrans-63.1-40.5170.943.10000113Q38 L42Q38-S40 WeakPolarHBondContact CB-OG 3.42Å; Q38-S40 PolarHBondContact O-N 3.37Å; S40-L42 PolarHBondContact O-N 3.04Å
41M93.9Very high93.9Very high75 Ų7574 Ų7437%0.36937%0.366SS..G310 helixtrans-79.60.4-174.8-58.3171.67100113.6Q38 L43 D44 L45Q38-M41 HydrophobicContact CB-CG 4.3Å; Q38-M41 HydrophobicContact CB-SD 4.24Å; Q38-M41 HydrophobicContact CG-SD 4.38Å; Q38-M41 PolarHBondContact O-N 3Å; M41-L43 PolarHBondContact O-N 3.1Å; M41-L43 VanDerWaalsContact O-N 3.09Å; M41-D44 WeakPolarHBondContact CA-OD2 3.41Å; M41-D44 PolarHBondContact O-N 2.9Å; M41-L45 PolarHBondContact O-N 3.22Å
42L92.9Very high93.9Very high3 Ų378.5 Ų78.52%0.01639%0.386CS..G310 helixtrans-59.9-22.9-174.1-78176.8000114.2W11 F14 K39 S40 L45 A68 V71W11-L42 HydrophobicContact CH2-CD2 4.02Å; W11-L42 HydrophobicContact CZ3-CD2 4.02Å; F14-L42 HydrophobicContact CE1-CD2 4.39Å; F14-L42 HydrophobicContact CE2-CD1 3.71Å; F14-L42 HydrophobicContact CE2-CD2 4.09Å; F14-L42 HydrophobicContact CZ-CD1 4.15Å; F14-L42 HydrophobicContact CZ-CD2 3.67Å; K39-L42 HydrophobicContact CB-CD1 4.32Å; K39-L42 HydrophobicContact CG-CD1 4.48Å; K39-L42 WeakPolarHBondContact O-CB 3.26Å; K39-L42 WeakPolarHBondContact O-CD1 3.28Å; K39-L42 WeakPolarHBondContact O-CG 3.44Å; S40-L42 PolarHBondContact O-N 3.04Å; L42-L45 HydrophobicContact CD2-CD1 3.76Å; L42-A68 HydrophobicContact CB-CB 3.94Å; L42-A68 HydrophobicContact CD2-CB 4.27Å; L42-A68 WeakPolarHBondContact O-CB 3.46Å; L42-V71 HydrophobicContact CD1-CB 4.43Å; L42-V71 HydrophobicContact CD1-CG1 4.12Å
43L93.9Very high93.8Very high82 Ų8279 Ų7943%0.42939%0.389SS..G310 helixtrans-85-21.7174.9-65-171.3000113.9M41 L45 K69 H72M41-L43 PolarHBondContact O-N 3.1Å; M41-L43 VanDerWaalsContact O-N 3.09Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-K69 HydrophobicContact CD2-CG 4.1Å; L43-H72 HydrophobicContact CD1-CB 4.49Å; L43-H72 HydrophobicContact CD2-CB 4.04Å; L43-H72 HydrophobicContact CG-CB 4.25Å
44D93.9Very high93.7Very high104 Ų10479.6 Ų79.656%0.55640%0.4SS*.THydrogen-bonded Turntrans-83.1-15.1179.9-48.7-50.9000111.7M41 N46M41-D44 WeakPolarHBondContact CA-OD2 3.41Å; M41-D44 PolarHBondContact O-N 2.9Å; D44-N46 PolarHBondContact O-N 2.74Å
45L94.3Very high93.8Very high9 Ų975 Ų755%0.04738%0.376CS..  trans-61.9117.1175.9-64.5-174.2000111.1F32 I37 M41 L42 L43 I49 M50 L65F32-L45 HydrophobicContact CE1-CD1 4Å; F32-L45 HydrophobicContact CZ-CD1 4.16Å; I37-L45 HydrophobicContact CG2-CD2 4.24Å; M41-L45 PolarHBondContact O-N 3.22Å; L42-L45 HydrophobicContact CD2-CD1 3.76Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L45-I49 HydrophobicContact CD2-CG2 4Å; L45-M50 HydrophobicContact CB-CE 4.04Å; L45-M50 HydrophobicContact CD1-CE 3.79Å; L45-M50 HydrophobicContact CD2-CE 3.77Å; L45-M50 HydrophobicContact CG-CE 4.06Å; L45-L65 HydrophobicContact CB-CD2 3.86Å; L45-L65 WeakPolarHBondContact O-CD2 3.47Å
46N95.7Very high93.8Very high104 Ų10475.5 Ų75.556%0.55638%0.383SS*.  trans-110.1168.1173.8-81.2-40.3000111.4D44 E48 I49 M50D44-N46 PolarHBondContact O-N 2.74Å; N46-E48 PolarHBondContact O-N 2.92Å; N46-I49 PolarHBondContact O-N 2.73Å; N46-M50 WeakPolarHBondContact O-CG 3.47Å; N46-M50 PolarHBondContact O-N 3.38Å
47K95.4Very high93.9Very high112 Ų11268.9 Ų68.949%0.48737%0.365SS..Hα-helixtrans-52.8-37.6174.3-176-167.2177.6-56.50112.1M50 N51 I61K47-M50 PolarHBondContact O-N 2.67Å; K47-N51 PolarHBondContact NZ-ND2 3.18Å; K47-N51 PolarHBondContact NZ-OD1 3.35Å; K47-N51 WeakPolarHBondContact O-CB 3.41Å; K47-N51 PolarHBondContact O-N 3.3Å; K47-N51 PolarHBondContact O-OD1 2.95Å; K47-I61 HydrophobicContact CG-CD1 4.38Å; K47-I61 HydrophobicContact CG-CG2 4.23Å
48E95.6Very high94Very high142 Ų14272.2 Ų72.266%0.66439%0.386SS*.Hα-helixtrans-62.2-52.4179.3-169.1157.8-132.800111.5N46 M50 N51 E52N46-E48 PolarHBondContact O-N 2.92Å; E48-M50 VanDerWaalsContact C-N 3.29Å; E48-M50 PolarHBondContact O-N 2.89Å; E48-N51 WeakPolarHBondContact O-CA 3.26Å; E48-N51 VanDerWaalsContact O-CB 3.26Å; E48-N51 WeakPolarHBondContact O-CB 3.45Å; E48-N51 PolarHBondContact O-N 3.16Å; E48-E52 WeakPolarHBondContact O-CG 3.47Å; E48-E52 PolarHBondContact O-N 3.4Å
49I95Very high94.3Very high58 Ų5869 Ų6930%0.29738%0.383SS..Hα-helixtrans-60.3-37.9174.9-55.8174.5000111.2L45 N46 E52 L53L45-I49 HydrophobicContact CD2-CG2 4Å; N46-I49 PolarHBondContact O-N 2.73Å; I49-E52 PolarHBondContact O-N 2.89Å; I49-L53 HydrophobicContact CG2-CD1 4.02Å; I49-L53 HydrophobicContact CG2-CG 4.38Å; I49-L53 WeakPolarHBondContact O-CB 3.35Å; I49-L53 VanDerWaalsContact O-CG 3.26Å; I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 3.12Å
50M95.1Very high94.6Very high0 Ų065.6 Ų65.60%037%0.369CS..Hα-helixtrans-63.8-41.1173.9-65.6-61.993.600112.4F32 L45 N46 K47 E48 L53 V55 I61 I64 L65F32-M50 HydrophobicContact CE2-CE 4.22Å; F32-M50 HydrophobicContact CE2-SD 4.49Å; F32-M50 HydrophobicContact CZ-CE 3.79Å; F32-M50 HydrophobicContact CZ-SD 4.11Å; L45-M50 HydrophobicContact CB-CE 4.04Å; L45-M50 HydrophobicContact CD1-CE 3.79Å; L45-M50 HydrophobicContact CD2-CE 3.77Å; L45-M50 HydrophobicContact CG-CE 4.06Å; N46-M50 WeakPolarHBondContact O-CG 3.47Å; N46-M50 PolarHBondContact O-N 3.38Å; K47-M50 PolarHBondContact O-N 2.67Å; E48-M50 VanDerWaalsContact C-N 3.29Å; E48-M50 PolarHBondContact O-N 2.89Å; M50-L53 HydrophobicContact CE-CD1 3.75Å; M50-V55 HydrophobicContact CB-CB 4.31Å; M50-V55 WeakPolarHBondContact O-CA 3.44Å; M50-V55 VanDerWaalsContact O-CB 3.28Å; M50-V55 WeakPolarHBondContact O-CB 3.36Å; M50-V55 PolarHBondContact O-N 2.89Å; M50-I61 HydrophobicContact CB-CG1 4.09Å; M50-I61 HydrophobicContact CB-CG2 4.19Å; M50-I61 HydrophobicContact CG-CG2 4.22Å; M50-I64 HydrophobicContact SD-CB 4.31Å; M50-I64 HydrophobicContact SD-CD1 4.09Å; M50-I64 HydrophobicContact SD-CG2 3.74Å; M50-L65 HydrophobicContact CG-CD2 4.23Å; M50-L65 HydrophobicContact CG-CG 4.39Å
51N95.2Very high94.9Very high77 Ų7762.1 Ų62.141%0.41235%0.345SS..Hα-helixtrans-61.8-44.7173.4-93.744.3000111.5K47 E48 G54K47-N51 PolarHBondContact NZ-ND2 3.18Å; K47-N51 PolarHBondContact NZ-OD1 3.35Å; K47-N51 WeakPolarHBondContact O-CB 3.41Å; K47-N51 PolarHBondContact O-N 3.3Å; K47-N51 PolarHBondContact O-OD1 2.95Å; E48-N51 WeakPolarHBondContact O-CA 3.26Å; E48-N51 VanDerWaalsContact O-CB 3.26Å; E48-N51 WeakPolarHBondContact O-CB 3.45Å; E48-N51 PolarHBondContact O-N 3.16Å; N51-G54 PolarHBondContact O-N 3.09Å; N51-G54 VanDerWaalsContact O-N 3.1Å
52E94Very high95Very high151 Ų15163.5 Ų63.571%0.70635%0.353SS*.Hα-helixtrans-64.6-38.8178.9-70.9177.116600112.6E48 I49 G54E48-E52 WeakPolarHBondContact O-CG 3.47Å; E48-E52 PolarHBondContact O-N 3.4Å; I49-E52 PolarHBondContact O-N 2.89Å; E52-G54 PolarHBondContact O-N 3.26Å; E52-G54 VanDerWaalsContact O-N 3.11Å
53L93.1Very high95.2Very high10 Ų1064.3 Ų64.35%0.05236%0.359CS..THydrogen-bonded Turntrans-72.17.3172.5-66.1173.3000113.7F32 N35 I37 I49 M50 V55F32-L53 HydrophobicContact CD2-CD1 4Å; F32-L53 HydrophobicContact CE2-CD1 3.67Å; F32-L53 HydrophobicContact CZ-CD1 4.23Å; N35-L53 HydrophobicContact CB-CD2 3.56Å; N35-L53 VanDerWaalsContact CG-CD2 3.42Å; N35-L53 VanDerWaalsContact ND2-CD2 3.33Å; N35-L53 WeakPolarHBondContact ND2-CD2 3.5Å; I37-L53 HydrophobicContact CD1-CD1 4.3Å; I37-L53 HydrophobicContact CG1-CD1 4.12Å; I49-L53 HydrophobicContact CG2-CD1 4.02Å; I49-L53 HydrophobicContact CG2-CG 4.38Å; I49-L53 WeakPolarHBondContact O-CB 3.35Å; I49-L53 VanDerWaalsContact O-CG 3.26Å; I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 3.12Å; M50-L53 HydrophobicContact CE-CD1 3.75Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 2.91Å
54G91.6Very high95.3Very high41 Ų4160.4 Ų60.442%0.42334%0.339SS..THydrogen-bonded Turntrans78.29177.800000115.2N51 E52 T56N51-G54 PolarHBondContact O-N 3.09Å; N51-G54 VanDerWaalsContact O-N 3.1Å; E52-G54 PolarHBondContact O-N 3.26Å; E52-G54 VanDerWaalsContact O-N 3.11Å; G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 3.29Å
55V94.9Very high95.4Very high0 Ų057.2 Ų57.20%032%0.322CS..  trans-80.882.3175.1-167.80000109Y28 M50 L53 D60 I61 I64Y28-V55 HydrophobicContact CD1-CG2 3.8Å; Y28-V55 HydrophobicContact CE1-CB 4.29Å; Y28-V55 HydrophobicContact CE1-CG1 4.23Å; Y28-V55 HydrophobicContact CE1-CG2 4Å; Y28-V55 HydrophobicContact CE2-CG1 4.21Å; Y28-V55 HydrophobicContact CG-CG2 4.16Å; M50-V55 HydrophobicContact CB-CB 4.31Å; M50-V55 WeakPolarHBondContact O-CA 3.44Å; M50-V55 VanDerWaalsContact O-CB 3.28Å; M50-V55 WeakPolarHBondContact O-CB 3.36Å; M50-V55 PolarHBondContact O-N 2.89Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 2.91Å; V55-D60 HydrophobicContact CG1-CB 4Å; V55-I61 HydrophobicContact CB-CG1 4.44Å; V55-I61 HydrophobicContact CG1-CG1 3.97Å; V55-I61 VanDerWaalsContact O-CD1 3.27Å; V55-I61 WeakPolarHBondContact O-CD1 3.44Å; V55-I61 VanDerWaalsContact O-CG1 3.27Å; V55-I61 WeakPolarHBondContact O-CG1 3.49Å; V55-I64 HydrophobicContact CG1-CD1 4.07Å; V55-I64 HydrophobicContact CG2-CD1 4.34Å
56T95.1Very high95.5Very high106 Ų10664 Ų6465%0.6535%0.351SS*.  trans-82.7-19.9-177.155.90000114.2G54 V58G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 3.29Å; T56-V58 PolarHBondContact O-N 3.41Å
57V96.4Very high95.5Very high67 Ų6760.1 Ų60.141%0.40633%0.329SS..  trans-76.3112.5-176.4179.20000110G59 D60 I61V57-G59 PolarHBondContact O-N 3.2Å; V57-D60 HydrophobicContact CB-CB 4.05Å; V57-D60 HydrophobicContact CG1-CB 4.22Å; V57-D60 PolarHBondContact O-N 3.4Å; V57-I61 WeakPolarHBondContact O-CG1 3.42Å; V57-I61 PolarHBondContact O-N 3.23Å
58V96.2Very high95.4Very high91 Ų9154.8 Ų54.855%0.55231%0.306SS*.Hα-helixtrans-57.8-34.2-176.2-179.50000112.9T56 I62T56-V58 PolarHBondContact O-N 3.41Å; V58-I62 HydrophobicContact CG1-CD1 3.93Å; V58-I62 WeakPolarHBondContact O-CD1 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.19Å; V58-I62 VanDerWaalsContact O-N 3.08Å
59G96.9Very high95.3Very high46 Ų4654.9 Ų54.947%0.47430%0.304SS..Hα-helixtrans-61.8-45.3173.400000112.8V57 I62 A63V57-G59 PolarHBondContact O-N 3.2Å; G59-I62 PolarHBondContact O-N 2.96Å; G59-A63 WeakPolarHBondContact O-CB 3.25Å; G59-A63 PolarHBondContact O-N 3.42Å
60D96.6Very high95.2Very high20 Ų2056.1 Ų56.111%0.10732%0.315CS..Hα-helixtrans-70.8-39.9-179-65-14.5000111.3I20 Y28 V55 V57 I62 A63 I64I20-D60 HydrophobicContact CD1-CB 3.7Å; I20-D60 HydrophobicContact CG1-CB 4.19Å; Y28-D60 HydrophobicContact CE2-CB 4.19Å; Y28-D60 PolarHBondContact OH-OD2 3.17Å; V55-D60 HydrophobicContact CG1-CB 4Å; V57-D60 HydrophobicContact CB-CB 4.05Å; V57-D60 HydrophobicContact CG1-CB 4.22Å; V57-D60 PolarHBondContact O-N 3.4Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 2.98Å; D60-I64 VanDerWaalsContact O-CG1 3.27Å; D60-I64 WeakPolarHBondContact O-CG1 3.27Å; D60-I64 PolarHBondContact O-N 2.98Å
61I96.6Very high95Very high7 Ų756.9 Ų56.94%0.03632%0.319CS..Hα-helixtrans-53.3-50.4169.6-62.1172.8000110.1K47 M50 V55 V57 I64 L65K47-I61 HydrophobicContact CG-CD1 4.38Å; K47-I61 HydrophobicContact CG-CG2 4.23Å; M50-I61 HydrophobicContact CB-CG1 4.09Å; M50-I61 HydrophobicContact CB-CG2 4.19Å; M50-I61 HydrophobicContact CG-CG2 4.22Å; V55-I61 HydrophobicContact CB-CG1 4.44Å; V55-I61 HydrophobicContact CG1-CG1 3.97Å; V55-I61 VanDerWaalsContact O-CD1 3.27Å; V55-I61 WeakPolarHBondContact O-CD1 3.44Å; V55-I61 VanDerWaalsContact O-CG1 3.27Å; V55-I61 WeakPolarHBondContact O-CG1 3.49Å; V57-I61 WeakPolarHBondContact O-CG1 3.42Å; V57-I61 PolarHBondContact O-N 3.23Å; I61-I64 PolarHBondContact O-N 2.81Å; I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 HydrophobicContact CG2-CG 4.41Å; I61-L65 WeakPolarHBondContact O-CB 3.08Å; I61-L65 VanDerWaalsContact O-CG 3.23Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 3.37Å
62I96.5Very high94.5Very high104 Ų10456.6 Ų56.653%0.53332%0.315SS..Hα-helixtrans-65.9-39.3-179.7-68.4166.8000111.1V58 G59 D60 K66V58-I62 HydrophobicContact CG1-CD1 3.93Å; V58-I62 WeakPolarHBondContact O-CD1 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.19Å; V58-I62 VanDerWaalsContact O-N 3.08Å; G59-I62 PolarHBondContact O-N 2.96Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.41Å; I62-K66 WeakPolarHBondContact O-CB 3.27Å; I62-K66 PolarHBondContact O-N 3.43Å
63A97.1Very high94.2Very high19 Ų1957.8 Ų57.816%0.15731%0.313CS..Hα-helixtrans-61-49.3177.200000111.7A18 I20 G59 D60 K66 H67A18-A63 HydrophobicContact CB-CB 4.37Å; I20-A63 HydrophobicContact CG1-CB 4.16Å; G59-A63 WeakPolarHBondContact O-CB 3.25Å; G59-A63 PolarHBondContact O-N 3.42Å; D60-A63 PolarHBondContact O-N 2.98Å; A63-K66 PolarHBondContact O-N 3.38Å; A63-H67 VanDerWaalsContact O-CB 3.3Å; A63-H67 WeakPolarHBondContact O-CB 3.42Å; A63-H67 PolarHBondContact O-N 3.27Å
64I96.1Very high93.8Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-61-53.8178.4-66.2166.7000110.6F14 F15 I20 F32 M50 V55 D60 I61 K66 H67 A68F14-I64 HydrophobicContact CE1-CG2 4.3Å; F15-I64 HydrophobicContact CD1-CD1 3.97Å; F15-I64 HydrophobicContact CD1-CG1 3.78Å; F15-I64 HydrophobicContact CE1-CD1 3.59Å; F15-I64 HydrophobicContact CE1-CG1 3.67Å; F15-I64 HydrophobicContact CE1-CG2 4.46Å; I20-I64 HydrophobicContact CD1-CD1 3.87Å; I20-I64 HydrophobicContact CD1-CG1 3.69Å; F32-I64 HydrophobicContact CZ-CG2 4.31Å; M50-I64 HydrophobicContact SD-CB 4.31Å; M50-I64 HydrophobicContact SD-CD1 4.09Å; M50-I64 HydrophobicContact SD-CG2 3.74Å; V55-I64 HydrophobicContact CG1-CD1 4.07Å; V55-I64 HydrophobicContact CG2-CD1 4.34Å; D60-I64 VanDerWaalsContact O-CG1 3.27Å; D60-I64 WeakPolarHBondContact O-CG1 3.27Å; D60-I64 PolarHBondContact O-N 2.98Å; I61-I64 PolarHBondContact O-N 2.81Å; I64-K66 PolarHBondContact O-N 3.26Å; I64-H67 PolarHBondContact O-N 3.19Å; I64-H67 VanDerWaalsContact O-N 3.17Å; I64-A68 VanDerWaalsContact O-CB 3.25Å; I64-A68 WeakPolarHBondContact O-CB 3.41Å; I64-A68 PolarHBondContact O-N 3.09Å
65L95.7Very high93.2Very high38 Ų3861.8 Ų61.820%0.19932%0.323CS..Hα-helixtrans-66.4-23.9-176.7-63.9-179.2000113.2L45 M50 I61L45-L65 HydrophobicContact CB-CD2 3.86Å; L45-L65 WeakPolarHBondContact O-CD2 3.47Å; M50-L65 HydrophobicContact CG-CD2 4.23Å; M50-L65 HydrophobicContact CG-CG 4.39Å; I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 HydrophobicContact CG2-CG 4.41Å; I61-L65 WeakPolarHBondContact O-CB 3.08Å; I61-L65 VanDerWaalsContact O-CG 3.23Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 3.37Å
66K96.3Very high92.1Very high152 Ų15267.8 Ų67.866%0.66135%0.352SS*.Hα-helixtrans-78.2-47171-178.5-177.7175.6-172.30111.5I62 A63 I64 K69 V70I62-K66 WeakPolarHBondContact O-CB 3.27Å; I62-K66 PolarHBondContact O-N 3.43Å; A63-K66 PolarHBondContact O-N 3.38Å; I64-K66 PolarHBondContact O-N 3.26Å; K66-K69 PolarHBondContact O-N 3Å; K66-V70 PolarHBondContact O-N 3.32Å
67H95.5Very high90.6Very high21 Ų2165.7 Ų65.710%0.09734%0.341CS..Hα-helixtrans-69.1-37.2-177.7-172.365.4000112F14 A18 A63 I64 K69 V70 V71F14-H67 AromaticContact CD2-CD2 3.47Å; F14-H67 VanDerWaalsContact CD2-CD2 3.47Å; F14-H67 WeakPolarHBondContact CD2-CD2 3.27Å; F14-H67 AromaticContact CD2-NE2 3.69Å; F14-H67 AromaticContact CE2-CD2 3.36Å; F14-H67 WeakPolarHBondContact CE2-CD2 3.15Å; F14-H67 AromaticContact CE2-NE2 3.97Å; F14-H67 AromaticContact CG-CD2 3.97Å; F14-H67 AromaticContact CZ-CD2 3.76Å; F14-H67 PolarHBondContact O-CD2 3.19Å; A18-H67 HydrophobicContact CB-CB 3.53Å; A63-H67 VanDerWaalsContact O-CB 3.3Å; A63-H67 WeakPolarHBondContact O-CB 3.42Å; A63-H67 PolarHBondContact O-N 3.27Å; I64-H67 PolarHBondContact O-N 3.19Å; I64-H67 VanDerWaalsContact O-N 3.17Å; H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 PolarHBondContact O-N 2.84Å; H67-V70 CarbonylContact O-C 3.57Å; H67-V70 WeakPolarHBondContact O-CA 3.37Å; H67-V70 WeakPolarHBondContact O-CB 3.37Å; H67-V70 PolarHBondContact O-N 2.84Å; H67-V71 WeakPolarHBondContact NE2-CG2 3.37Å; H67-V71 PolarHBondContact O-N 3Å
68A94.6Very high89Confident1 Ų167.3 Ų67.31%0.00834%0.343CS..Hα-helixtrans-47.2-47.817000000113.2L42 I64 V70 V71 H72L42-A68 HydrophobicContact CB-CB 3.94Å; L42-A68 HydrophobicContact CD2-CB 4.27Å; L42-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 VanDerWaalsContact O-CB 3.25Å; I64-A68 WeakPolarHBondContact O-CB 3.41Å; I64-A68 PolarHBondContact O-N 3.09Å; A68-V70 VanDerWaalsContact C-N 3.33Å; A68-V70 PolarHBondContact O-N 3.41Å; A68-V71 PolarHBondContact O-N 2.82Å; A68-H72 WeakPolarHBondContact O-CB 3.47Å; A68-H72 PolarHBondContact O-N 3.32Å
69K93.6Very high87.1Confident143 Ų14367.1 Ų67.162%0.62235%0.351SS*.Hα-helixtrans-69-30.5178.5-64.3174.7-174-178.10112.6L43 K66 H67 R73L43-K69 HydrophobicContact CD2-CG 4.1Å; K66-K69 PolarHBondContact O-N 3Å; H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 PolarHBondContact O-N 2.84Å; K69-R73 WeakPolarHBondContact O-CB 3.46Å; K69-R73 PolarHBondContact O-N 3.45Å
70V91.9Very high85Confident85 Ų8569.4 Ų69.452%0.51537%0.365SS..Hα-helixtrans-71.5-47.5174176.60000110.6K66 H67 A68 R73 Q74K66-V70 PolarHBondContact O-N 3.32Å; H67-V70 CarbonylContact O-C 3.57Å; H67-V70 WeakPolarHBondContact O-CA 3.37Å; H67-V70 WeakPolarHBondContact O-CB 3.37Å; H67-V70 PolarHBondContact O-N 2.84Å; A68-V70 VanDerWaalsContact C-N 3.33Å; A68-V70 PolarHBondContact O-N 3.41Å; V70-R73 PolarHBondContact O-N 3.34Å; V70-Q74 WeakPolarHBondContact O-CB 3.42Å; V70-Q74 PolarHBondContact O-N 2.98Å
71V90.5Very high82.7Confident15 Ų1571.4 Ų71.49%0.09138%0.378CS..Hα-helixtrans-62.1-48.4179.2172.10000111F14 L42 H67 A68 R73 Q74 D75F14-V71 HydrophobicContact CD2-CG2 4.1Å; F14-V71 HydrophobicContact CE2-CB 4.4Å; F14-V71 HydrophobicContact CE2-CG2 3.88Å; L42-V71 HydrophobicContact CD1-CB 4.43Å; L42-V71 HydrophobicContact CD1-CG1 4.12Å; H67-V71 WeakPolarHBondContact NE2-CG2 3.37Å; H67-V71 PolarHBondContact O-N 3Å; A68-V71 PolarHBondContact O-N 2.82Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.32Å; V71-Q74 CarbonylContact O-C 3.58Å; V71-Q74 WeakPolarHBondContact O-CA 3.39Å; V71-Q74 WeakPolarHBondContact O-CB 3.4Å; V71-Q74 PolarHBondContact O-N 3.42Å; V71-D75 PolarHBondContact O-N 3.47Å
72H86.1Confident80.2Confident71 Ų7180.4 Ų80.433%0.32942%0.42SS..Hα-helixtrans-56.3-46.7175.9-175.493.3000111.9L43 A68 Q74 D75 M76L43-H72 HydrophobicContact CD1-CB 4.49Å; L43-H72 HydrophobicContact CD2-CB 4.04Å; L43-H72 HydrophobicContact CG-CB 4.25Å; A68-H72 WeakPolarHBondContact O-CB 3.47Å; A68-H72 PolarHBondContact O-N 3.32Å; H72-Q74 VanDerWaalsContact C-N 3.31Å; H72-Q74 PolarHBondContact O-N 2.84Å; H72-D75 PolarHBondContact O-N 2.95Å; H72-M76 WeakPolarHBondContact O-CG 3.3Å; H72-M76 PolarHBondContact O-N 3.36Å
73R86.9Confident77.5Confident177 Ų17780.4 Ų80.467%0.66843%0.429SS*.Hα-helixtrans-63.4-36.3175.2-171.9-179.5-174.2-80.3-0.2112.3K69 V70 V71 C77K69-R73 WeakPolarHBondContact O-CB 3.46Å; K69-R73 PolarHBondContact O-N 3.45Å; V70-R73 PolarHBondContact O-N 3.34Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.32Å; R73-C77 PolarHBondContact O-N 2.83Å; R73-C77 VanDerWaalsContact O-N 3.09Å; R73-C77 PolarHBondContact O-SG 3.28Å
74Q84.6Confident74.9Confident72 Ų7284 Ų8434%0.33645%0.45SS..Hα-helixtrans-67.3-40.9177.9-158.5-161.832.500111V70 V71 H72 C77 K78V70-Q74 WeakPolarHBondContact O-CB 3.42Å; V70-Q74 PolarHBondContact O-N 2.98Å; V71-Q74 CarbonylContact O-C 3.58Å; V71-Q74 WeakPolarHBondContact O-CA 3.39Å; V71-Q74 WeakPolarHBondContact O-CB 3.4Å; V71-Q74 PolarHBondContact O-N 3.42Å; H72-Q74 VanDerWaalsContact C-N 3.31Å; H72-Q74 PolarHBondContact O-N 2.84Å; Q74-C77 CarbonylContact O-C 3.58Å; Q74-C77 WeakPolarHBondContact O-CB 3.1Å; Q74-C77 PolarHBondContact O-N 3.17Å; Q74-K78 VanDerWaalsContact CD-CE 3.47Å; Q74-K78 WeakPolarHBondContact O-CG 3.42Å; Q74-K78 PolarHBondContact O-N 2.86Å
75D79.3Confident72.2Confident63 Ų6390.4 Ų90.434%0.33749%0.491SS..Hα-helixtrans-72.1-37.8-180-67.8-18.2000111.8V71 H72 C77 K78 A79V71-D75 PolarHBondContact O-N 3.47Å; H72-D75 PolarHBondContact O-N 2.95Å; D75-C77 VanDerWaalsContact C-N 3.27Å; D75-C77 PolarHBondContact O-N 3.37Å; D75-K78 PolarHBondContact O-N 3.24Å; D75-K78 WeakPolarHBondContact OD1-CD 3.23Å; D75-K78 WeakPolarHBondContact OD1-CE 3.41Å; D75-K78 IonicContact OD1-NZ 2.67Å; D75-K78 PolarHBondContact OD1-NZ 3.25Å; D75-A79 PolarHBondContact O-N 3.03Å
76M72.1Confident69.4Low125 Ų12593.3 Ų93.362%0.61651%0.513SS*.Hα-helixtrans-57.6-39.6166.4-68.6-177.186.400112.1H72H72-M76 WeakPolarHBondContact O-CG 3.3Å; H72-M76 PolarHBondContact O-N 3.36Å
77C63.3Low66.6Low63 Ų6392.6 Ų92.643%0.42652%0.517SS..Hα-helixtrans-68.6-41.3174.4-71.80000112.2R73 Q74 D75 A80 T81R73-C77 PolarHBondContact O-N 2.83Å; R73-C77 VanDerWaalsContact O-N 3.09Å; R73-C77 PolarHBondContact O-SG 3.28Å; Q74-C77 CarbonylContact O-C 3.58Å; Q74-C77 WeakPolarHBondContact O-CB 3.1Å; Q74-C77 PolarHBondContact O-N 3.17Å; D75-C77 VanDerWaalsContact C-N 3.27Å; D75-C77 PolarHBondContact O-N 3.37Å; C77-A80 PolarHBondContact O-N 3.49Å; C77-T81 WeakPolarHBondContact O-CG2 3.26Å
78K61.7Low64.7Low100 Ų10096.1 Ų96.144%0.43554%0.542SS..Hα-helixtrans-60.4-45.2177.7-72.2169.4-161.81550111.8Q74 D75 A80 T81Q74-K78 VanDerWaalsContact CD-CE 3.47Å; Q74-K78 WeakPolarHBondContact O-CG 3.42Å; Q74-K78 PolarHBondContact O-N 2.86Å; D75-K78 PolarHBondContact O-N 3.24Å; D75-K78 WeakPolarHBondContact OD1-CD 3.23Å; D75-K78 WeakPolarHBondContact OD1-CE 3.41Å; D75-K78 IonicContact OD1-NZ 2.67Å; D75-K78 PolarHBondContact OD1-NZ 3.25Å; K78-A80 PolarHBondContact O-N 3.4Å; K78-A80 VanDerWaalsContact O-N 3.16Å; K78-T81 CarbonylContact O-C 3.43Å; K78-T81 PolarHBondContact O-N 2.98Å
79A57.6Low61.9Low88 Ų88100.5 Ų100.573%0.72757%0.572SS**Hα-helixtrans-61.3-22.5179.500000113.8D75D75-A79 PolarHBondContact O-N 3.03Å
80A52.8Low60.2Low93 Ų9399 Ų9977%0.76958%0.577SS**THydrogen-bonded Turntrans-92.80.6174.200000113.9C77 K78C77-A80 PolarHBondContact O-N 3.49Å; K78-A80 PolarHBondContact O-N 3.4Å; K78-A80 VanDerWaalsContact O-N 3.16Å
81T47.2Very low57.7Low62 Ų62102.7 Ų102.738%0.3859%0.593SS.*  trans-146.146.7-172.1-168.20000113.6C77 K78 S83 V84C77-T81 WeakPolarHBondContact O-CG2 3.26Å; K78-T81 CarbonylContact O-C 3.43Å; K78-T81 PolarHBondContact O-N 2.98Å; T81-S83 PolarHBondContact O-N 2.86Å; T81-V84 PolarHBondContact O-N 3.29Å
82E44.5Very low55.2Low196 Ų196111.4 Ų111.492%0.91663%0.633SS**THydrogen-bonded Turntrans-68.739.8175.9-154.7-176.4174.700114
83S40.4Very low53.4Low104 Ų104111.8 Ų111.873%0.72766%0.656SS**THydrogen-bonded Turntrans-143.2-5.5-179.759.10000114.8T81T81-S83 PolarHBondContact O-N 2.86Å
84V41.5Very low51Low96 Ų96111.7 Ų111.758%0.58266%0.663SS**  trans-143.3115.1175.2-172.10000112T81 C86T81-V84 PolarHBondContact O-N 3.29Å; V84-C86 PolarHBondContact O-N 3.08Å
85P40.8Very low49.5Very low133 Ų133114.5 Ų114.586%0.86468%0.68SS**  trans-75.7116.317130-32.4000110.8
86C35.3Very low48.1Very low100 Ų100121.2 Ų121.268%0.67670%0.7SS**  trans-109.8100.5174.7-170.70000110.8V84V84-C86 PolarHBondContact O-N 3.08Å
87N39Very low47Very low137 Ų137126.4 Ų126.473%0.73371%0.713SS**  trans-81.8124.6179.3-173.17.2000111.3S89N87-S89 PolarHBondContact O-N 3.32Å
88P54Low46.2Very low95 Ų95127 Ų12762%0.61773%0.729SS**  trans-90.369179.736.9-35.3000112.7P90P88-P90 WeakPolarHBondContact O-CD 3.48Å
89S37Very low45.8Very low93 Ų93125.3 Ų125.365%0.6573%0.734SS**  trans-77.8122.5166.956.20000110.8N87N87-S89 PolarHBondContact O-N 3.32Å
90P57.5Low46.1Very low111 Ų111126.1 Ų126.172%0.72174%0.735SS**  trans-77.1160.2171.532.8-34.5000111.8P88P88-P90 WeakPolarHBondContact O-CD 3.48Å
91L39.8Very low46.9Very low162 Ų162124.4 Ų124.485%0.84872%0.717SS**SBendtrans81.2146.2176-50.3-178.6000117.4
92Q36.6Very low48Very low199 Ų199124.4 Ų124.493%0.9372%0.723SS**  trans58.2120.2173.6-66.2-179.1-18.500116.8
93G49.6Very low49.3Very low79 Ų79117.7 Ų117.781%0.81470%0.701SS**  trans-105.9121.1176.600000111.5
94E35.8Very low51.2Low174 Ų174115.7 Ų115.781%0.81369%0.687SS**  trans-134.2100.5149.2-112.1-163.786.100111.2R96E94-R96 PolarHBondContact O-N 2.84Å; E94-R96 VanDerWaalsContact O-N 3.1Å
95L52.8Low53Low132 Ų132117.3 Ų117.369%0.69168%0.683SS**  3567.5125.5-16572000117.6
96R50.1Low54.9Low204 Ų204117.6 Ų117.677%0.7767%0.674SS**  trans-164.586.5148.9-76.8-54.697.762.9-19.8111.7E94E94-R96 PolarHBondContact O-N 2.84Å; E94-R96 VanDerWaalsContact O-N 3.1Å
97R49.5Very low57.1Low234 Ų234117.7 Ų117.788%0.88367%0.667SS**  trans-132.9120.4158.2-85.8-165.8-80.6-146.1-4.1110.4A99R97-A99 PolarHBondContact O-N 3.36Å
98G46Very low59Low75 Ų75113.4 Ų113.477%0.77365%0.651SS**  trans-80.9106.3-165.100000114.9S100G98-S100 PolarHBondContact O-N 2.73Å
99A54.7Low60Low64 Ų64115 Ų11553%0.52965%0.654SS.*  37.546.9127.800000119.6R97 R105R97-A99 PolarHBondContact O-N 3.36Å; A99-R105 PolarHBondContact O-NH1 2.89Å
100S63.1Low61.7Low106 Ų106114.8 Ų114.874%0.74165%0.652SS**  trans-82.6-47.8169.357.80000112.3G98 R105G98-S100 PolarHBondContact O-N 2.73Å; S100-R105 PolarHBondContact O-NH1 3.34Å; S100-R105 PolarHBondContact O-NH2 3.1Å
101S70.6Confident62.7Low56 Ų56115.9 Ų115.939%0.39265%0.651SS.*SBendtrans-78.2143.3-176.6-179.10000114.1A103 S104 R105S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 3.48Å; S101-A103 PolarHBondContact OG-N 3.47Å; S101-S104 PolarHBondContact O-N 3.31Å; S101-R105 PolarHBondContact O-N 3.25Å
102A68.8Low64.2Low62 Ų62113.9 Ų113.951%0.51264%0.642SS.*Hα-helixtrans-62.5-36.9172.900000112.5S104 R105 M106A102-S104 VanDerWaalsContact C-N 3.33Å; A102-S104 PolarHBondContact O-N 3.22Å; A102-R105 WeakPolarHBondContact O-CB 3.42Å; A102-R105 PolarHBondContact O-N 3.45Å; A102-M106 PolarHBondContact O-N 3.32Å
103A73Confident65.4Low55 Ų55112.9 Ų112.946%0.45564%0.637SS.*Hα-helixtrans-63.1-39.8176.600000111.7S101 R105 M106 I107S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 3.48Å; S101-A103 PolarHBondContact OG-N 3.47Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 3.07Å; A103-M106 PolarHBondContact O-N 3.05Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.2Å
104S79.3Confident65.4Low62 Ų62116 Ų11643%0.43464%0.635SS.*Hα-helixtrans-64.6-36.9175.9-52.50000112.4S101 A102 A108S101-S104 PolarHBondContact O-N 3.31Å; A102-S104 VanDerWaalsContact C-N 3.33Å; A102-S104 PolarHBondContact O-N 3.22Å; S104-A108 WeakPolarHBondContact O-CB 3.49Å; S104-A108 PolarHBondContact O-N 3.42Å
105R79.7Confident65.8Low131 Ų131112.5 Ų112.549%0.49463%0.629SS.*Hα-helixtrans-63.1-44.1173-78.1-175.8-84-83.5-5111.8A99 S100 S101 A102 A103 N109A99-R105 PolarHBondContact O-NH1 2.89Å; S100-R105 PolarHBondContact O-NH1 3.34Å; S100-R105 PolarHBondContact O-NH2 3.1Å; S101-R105 PolarHBondContact O-N 3.25Å; A102-R105 WeakPolarHBondContact O-CB 3.42Å; A102-R105 PolarHBondContact O-N 3.45Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 3.07Å; R105-N109 WeakPolarHBondContact O-CB 3.42Å; R105-N109 PolarHBondContact O-N 3.42Å
106M81.3Confident65.7Low138 Ų138111.8 Ų111.868%0.6863%0.632SS**Hα-helixtrans-61.7-49.1176.8-68.3176.568.400111.9A102 A103 A108 N109 S110A102-M106 PolarHBondContact O-N 3.32Å; A103-M106 PolarHBondContact O-N 3.05Å; M106-A108 PolarHBondContact O-N 3Å; M106-N109 PolarHBondContact O-N 3.06Å; M106-S110 PolarHBondContact O-N 2.88Å; M106-S110 PolarHBondContact O-OG 2.91Å
107I81.8Confident65.4Low103 Ų103107.5 Ų107.553%0.52863%0.631SS.*Hα-helixtrans-60.5-44.6-179.7-66.3164.5000111.2A103 N109 S110 L111A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.2Å; I107-N109 PolarHBondContact O-N 3.25Å; I107-S110 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CD1 3.8Å; I107-L111 HydrophobicContact CG2-CG 4.44Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 3.07Å
108A78.4Confident64.8Low47 Ų47104.7 Ų104.739%0.38863%0.628SS.*Hα-helixtrans-61.6-43176.600000112.1S104 M106 S110 L111 N112S104-A108 WeakPolarHBondContact O-CB 3.49Å; S104-A108 PolarHBondContact O-N 3.42Å; M106-A108 PolarHBondContact O-N 3Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 3.27Å; A108-L111 PolarHBondContact O-N 3.34Å; A108-N112 WeakPolarHBondContact O-CB 3.43Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.03Å
109N74.4Confident64.6Low129 Ų129107.1 Ų107.169%0.6963%0.628SS**Hα-helixtrans-67.1-29.1177.4-161.6112.4000112.8R105 M106 I107R105-N109 WeakPolarHBondContact O-CB 3.42Å; R105-N109 PolarHBondContact O-N 3.42Å; M106-N109 PolarHBondContact O-N 3.06Å; I107-N109 PolarHBondContact O-N 3.25Å
110S73.3Confident63.9Low88 Ų88109.8 Ų109.862%0.61564%0.64SS**Hα-helixtrans-79.3-26.7175.9-63.90000113.7M106 I107 A108M106-S110 PolarHBondContact O-N 2.88Å; M106-S110 PolarHBondContact O-OG 2.91Å; I107-S110 PolarHBondContact O-N 3.47Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 3.27Å
111L78.1Confident63.3Low133 Ų133111.4 Ų111.470%0.69665%0.645SS**Hα-helixtrans-86.8-29.1178.6-68.2172.6000112.8I107 A108 H113I107-L111 HydrophobicContact CG2-CD1 3.8Å; I107-L111 HydrophobicContact CG2-CG 4.44Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 3.34Å; L111-H113 PolarHBondContact O-N 3.22Å
112N71.1Confident62Low121 Ų121120.1 Ų120.165%0.64767%0.67SS**  trans-76.764.9172.3-65.9-9.4000110.6A108 D114A108-N112 WeakPolarHBondContact O-CB 3.43Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.03Å; N112-D114 PolarHBondContact O-N 2.94Å
113H62Low60.7Low178 Ų178127.1 Ų127.182%0.82468%0.683SS**  trans-78.849.1-177-160.2-61.6000112.7L111L111-H113 PolarHBondContact O-N 3.22Å
114D50.8Low59.1Low144 Ų144130.2 Ų130.277%0.7770%0.701SS**  trans-97.1141.4172.7-177.445.6000110.7N112N112-D114 PolarHBondContact O-N 2.94Å
115S42.5Very low57.1Low101 Ų101133.6 Ų133.671%0.70671%0.714SS**  trans-173.5152.3179.7-80.70000111.6
116P52.3Low55.5Low116 Ų116134.9 Ų134.975%0.75373%0.731SS**  cis-119.4-174.7-2.541.4-29000112.6
117P43.6Very low54.1Low115 Ų115133.1 Ų133.175%0.74773%0.732SS**  -132.8155.2123.938-31.6000115.1
118H37.5Very low52.7Low174 Ų174133.6 Ų133.681%0.80674%0.74SS**  trans54.7105.8165.8-70.8-66.6000120.5
119T41.8Very low51.3Low126 Ų126136.9 Ų136.977%0.77376%0.76SS**  trans-53.2129.9150.638.70000112.9
120P39.9Very low50.3Low120 Ų120140.4 Ų140.478%0.77977%0.77SS**  trans-86.2113.1152.731.4-27.8000109.1R122P120-R122 PolarHBondContact O-N 3.13Å
121T49Very low49.5Very low140 Ų140143.5 Ų143.586%0.85978%0.777SS**  trans-60.7110.7175.4-61.70000110.7
122R44.1Very low48Very low240 Ų240142.5 Ų142.591%0.90678%0.781SS**  trans-126127.7166.3-157.4168.2-168.6-91.5-0.7109.7P120P120-R122 PolarHBondContact O-N 3.13Å
123R40.7Very low47.2Very low209 Ų209142.3 Ų142.379%0.78978%0.784SS**  trans-54.9143.8-166.3-70.1177.1174.5161.2-3.2113.5D125R123-D125 PolarHBondContact O-N 3.07Å
124S39.1Very low46.8Very low120 Ų120140 Ų14084%0.83978%0.783SS**  trans-74107.4153.7177.30000108.2
125D38.9Very low46.6Very low132 Ų132139.2 Ų139.271%0.70678%0.783SS**  trans-109.6124.3164.9-76.7-57.7000108.1R123 S127R123-D125 PolarHBondContact O-N 3.07Å; D125-S127 PolarHBondContact O-N 3.1Å
126N45.7Very low46.6Very low158 Ų158139.8 Ų139.885%0.84579%0.787SS**  trans-77.2114.3-170.1169.133.8000111.9
127S51Low46.5Very low101 Ų101141.8 Ų141.871%0.70679%0.792SS**  trans-152.5103.6160.4-157.70000114D125D125-S127 PolarHBondContact O-N 3.1Å
128T52.1Low46.8Very low114 Ų114146 Ų14670%0.69980%0.798SS**  trans31.8105.2149.962.40000119.8
129S49.4Very low47.2Very low116 Ų116146 Ų14681%0.81180%0.801SS**  176128108.1-780000112.1
130K54.4Low46.9Very low203 Ų203145 Ų14588%0.88381%0.806SS**  trans-95.5128.5173.3-63.4-175.5-178.7-1780110.1
131I56.7Low47Very low152 Ų152143.8 Ų143.878%0.77981%0.806SS**  trans-137.192.9161.2-50.7-179000108.7V133I131-V133 HydrophobicContact CG2-CG2 3.85Å
132S46.4Very low46.5Very low112 Ų112147.1 Ų147.178%0.78381%0.808SS**  trans-98.2117.5169.3-57.40000108.6
133V53.5Low45.9Very low117 Ų117140.7 Ų140.771%0.70980%0.8SS**  trans-105.493.3-179.2-171.90000110.4I131 V135I131-V133 HydrophobicContact CG2-CG2 3.85Å; V133-V135 HydrophobicContact CG1-CG2 4.19Å
134T53.2Low45.7Very low129 Ų129135.2 Ų135.279%0.79180%0.8SS**  trans-86.6115.616848.10000110
135V47.9Very low45.6Very low128 Ų128139.7 Ų139.778%0.77680%0.804SS**  trans-93.6110.3175-178.40000109.7V133V133-V135 HydrophobicContact CG1-CG2 4.19Å
136S41.9Very low45.2Very low114 Ų114138.2 Ų138.280%0.79781%0.81SS**  trans-78127.6174.4-60.80000111.2
137N48.7Very low44.6Very low158 Ų158135.4 Ų135.485%0.84581%0.809SS**  trans-96.3112.7177.3-157.640.6000110.8
138K51.9Low43.7Very low202 Ų202134.7 Ų134.788%0.87881%0.809SS**  trans-103.8119.3-177.9-175.2176179.6178.90110.8
139M44.4Very low43Very low175 Ų175137.5 Ų137.586%0.86282%0.819SS**  trans-77.8153.1179-61.4-148.7-63.100113.2
140A36.1Very low42.2Very low106 Ų106135.2 Ų135.288%0.87681%0.806SS**  trans-139.9147.6162.800000109.3
141A41.4Very low40.9Very low94 Ų94134 Ų13478%0.77780%0.804SS**  trans-151.1176.9-174.900000111.1
142K38Very low39.8Very low209 Ų209135.3 Ų135.391%0.90980%0.799SS**  trans83.8149.6-169.5-56176178.2-178.90113.1
143S33.3Very low39.1Very low106 Ų106136.6 Ų136.674%0.74179%0.792SS**  cis-167.8129.3-11.139.30000107.9
144A35.8Very low38Very low94 Ų94139.2 Ų139.278%0.77780%0.797SS**  83.6128.176.800000116.2
145K36.1Very low37.3Very low214 Ų214141.1 Ų141.193%0.9380%0.797SS**  trans67.2151.8177.4-58.4-177.6176.5-177.60115.1
146A31.8Very low36.7Very low101 Ų101140 Ų14084%0.83580%0.795SS**  cis-133.1-158-2.900000108.9
147A32.1Very low37Very low99 Ų99143 Ų14382%0.81880%0.801SS**  cis-150.1-150.42.200000110.4
148A33.3Very low36.5Very low85 Ų85141.5 Ų141.570%0.70280%0.797SS**  trans-153.3-179.6179.800000113.8
149L36.7Very low36.4Very low174 Ų174137.4 Ų137.491%0.91179%0.789SS**  trans74.7153.8-178.1-69.994.4000117.2
150A32.7Very low36.3Very low67 Ų67135 Ų13555%0.55479%0.787SS**  cis-173.2157-30.200000110.7
151H27.6Very low37Very low179 Ų179135.9 Ų135.983%0.82978%0.781SS**  trans64.3153.9165.3-68.3-66.3000118
152R33.1Very low37.6Very low179 Ų179140.7 Ų140.768%0.67578%0.784SS**  cis-167.8153.6-16.4172.4179.151.2117-5.3108.2
153E31.5Very low38.6Very low138 Ų138142.4 Ų142.465%0.64579%0.785SS**  trans52.7143.6174.266.9-114.7147.900117.2
154E29.7Very low39.9Very low172 Ų172146 Ų14680%0.80478%0.782SS**  cis-156173.648-138.9-83.39300111.1
155E40Very low41.3Very low170 Ų170153.5 Ų153.579%0.79479%0.791SS**  trans-85.1121-173-172.9176.8134.700113.7
156S34.5Very low42.6Very low105 Ų105146 Ų14673%0.73476%0.762SS**  trans-151.6146.8162.762.70000114.3V158S156-V158 PolarHBondContact O-N 3.06Å
157L47.2Very low44Very low177 Ų177144.7 Ų144.793%0.92774%0.744SS**  trans-82.299.4-169.5-65.5160.3000112.2
158V39.4Very low45.5Very low125 Ų125144.2 Ų144.276%0.75874%0.74SS**  trans-132.4129.5171.2-172.30000112.6S156S156-V158 PolarHBondContact O-N 3.06Å
159V49.3Very low46.8Very low116 Ų116147.9 Ų147.970%0.70374%0.743SS**  trans-55.1140.9177.81760000111.9T161V159-T161 VanDerWaalsContact C-N 3.34Å; V159-T161 PolarHBondContact O-N 3.45Å
160P42.2Very low47.9Very low126 Ų126146.2 Ų146.282%0.81873%0.732SS**  trans-69.185.8176.229.2-36.4000112K162P160-K162 PolarHBondContact O-N 3.23Å
161T51.2Low49.4Very low123 Ų123147.5 Ų147.576%0.75573%0.726SS**  trans-6599.2171.823.60000110.2V159 R163V159-T161 VanDerWaalsContact C-N 3.34Å; V159-T161 PolarHBondContact O-N 3.45Å; T161-R163 PolarHBondContact O-N 3.22Å
162K54.3Low51.4Low196 Ų196141.7 Ų141.785%0.85272%0.715SS**  trans-41.5107.2172.3-178.1177.6-176.51750110.5P160 R164P160-K162 PolarHBondContact O-N 3.23Å; K162-R164 PolarHBondContact O-N 3.14Å
163R58.7Low53.4Low245 Ų245142.8 Ų142.893%0.92573%0.725SS**  trans-51.1105.3-177.1-73.3-176.2173.4-172.5-2.3110.5T161T161-R163 PolarHBondContact O-N 3.22Å
164R61.4Low55.6Low181 Ų181145.6 Ų145.668%0.68373%0.731SS**  trans-61.9136167-67.8170.295.2113.8-9.5106.9K162 V166 E171K162-R164 PolarHBondContact O-N 3.14Å; R164-V166 WeakPolarHBondContact CB-O 3.39Å; R164-V166 PolarHBondContact O-N 3.24Å; R164-E171 IonicContact CZ-OE1 3.21Å; R164-E171 IonicContact CZ-OE2 3.71Å; R164-E171 IonicContact NE-OE1 2.73Å; R164-E171 PolarHBondContact NE-OE1 3.47Å; R164-E171 IonicContact NE-OE2 3.99Å; R164-E171 IonicContact NH2-OE1 2.88Å; R164-E171 PolarHBondContact NH2-OE1 3.07Å; R164-E171 IonicContact NH2-OE2 2.7Å; R164-E171 PolarHBondContact NH2-OE2 3.14Å
165R65.3Low57.9Low252 Ų252143.6 Ų143.695%0.95172%0.724SS**SBendtrans-69.3-9175.3177.9176.3-86.5-145.9-1.4112.2
166V61.6Low59.8Low56 Ų56140.7 Ų140.734%0.33971%0.713SS.*SBendtrans-128.2132.7-172.9-173.50000107.2R164 M170 E171R164-V166 WeakPolarHBondContact CB-O 3.39Å; R164-V166 PolarHBondContact O-N 3.24Å; V166-M170 HydrophobicContact CG1-CB 3.72Å; V166-M170 HydrophobicContact CG1-CG 3.88Å; V166-E171 HydrophobicContact CB-CG 4.43Å; V166-E171 HydrophobicContact CG1-CG 3.82Å
167T61.8Low62.1Low73 Ų73143.2 Ų143.245%0.44871%0.713SS.*  trans-78.3153.7171.546.60000110.3E169 M170 E171T167-E169 WeakPolarHBondContact CB-OE1 3.42Å; T167-E169 PolarHBondContact O-N 2.94Å; T167-E169 VanDerWaalsContact O-N 3.1Å; T167-E169 WeakPolarHBondContact OG1-CG 3.35Å; T167-E169 PolarHBondContact OG1-OE1 2.74Å; T167-M170 PolarHBondContact O-N 2.98Å; T167-E171 PolarHBondContact O-N 3.38Å
168A62.8Low64.1Low89 Ų89141 Ų14174%0.73670%0.7SS**G310 helixtrans-59.7-27.1-172.900000113.8M170 E171A168-M170 VanDerWaalsContact C-N 3.29Å; A168-M170 PolarHBondContact O-N 3.28Å; A168-E171 PolarHBondContact O-N 3.35Å
169E62Low66.1Low163 Ų163139 Ų13976%0.76269%0.689SS**G310 helixtrans-66.3-27.5173.971.7-143.4135.700113.7T167T167-E169 WeakPolarHBondContact CB-OE1 3.42Å; T167-E169 PolarHBondContact O-N 2.94Å; T167-E169 VanDerWaalsContact O-N 3.1Å; T167-E169 WeakPolarHBondContact OG1-CG 3.35Å; T167-E169 PolarHBondContact OG1-OE1 2.74Å
170M60.4Low67.6Low138 Ų138142.7 Ų142.768%0.6870%0.696SS**G310 helixtrans-94.7-3.7179-173.7148.24700112.1V166 T167 A168 G172V166-M170 HydrophobicContact CG1-CB 3.72Å; V166-M170 HydrophobicContact CG1-CG 3.88Å; T167-M170 PolarHBondContact O-N 2.98Å; A168-M170 VanDerWaalsContact C-N 3.29Å; A168-M170 PolarHBondContact O-N 3.28Å; M170-G172 PolarHBondContact O-N 2.7Å; M170-G172 VanDerWaalsContact O-N 3.14Å
171E62.9Low69.6Low94 Ų94136.9 Ų136.944%0.43966%0.658SS.*SBendtrans-83.348.3161.2-60.4-168.4-156.200110.8R164 V166 T167 A168 K173R164-E171 IonicContact CZ-OE1 3.21Å; R164-E171 IonicContact CZ-OE2 3.71Å; R164-E171 IonicContact NE-OE1 2.73Å; R164-E171 PolarHBondContact NE-OE1 3.47Å; R164-E171 IonicContact NE-OE2 3.99Å; R164-E171 IonicContact NH2-OE1 2.88Å; R164-E171 PolarHBondContact NH2-OE1 3.07Å; R164-E171 IonicContact NH2-OE2 2.7Å; R164-E171 PolarHBondContact NH2-OE2 3.14Å; V166-E171 HydrophobicContact CB-CG 4.43Å; V166-E171 HydrophobicContact CG1-CG 3.82Å; T167-E171 PolarHBondContact O-N 3.38Å; A168-E171 PolarHBondContact O-N 3.35Å; E171-K173 PolarHBondContact O-N 2.88Å
172G69.9Low71Confident58 Ų58137.4 Ų137.460%0.59866%0.662SS**  trans-56.8134.5-178.600000112.5M170 Y174M170-G172 PolarHBondContact O-N 2.7Å; M170-G172 VanDerWaalsContact O-N 3.14Å; G172-Y174 PolarHBondContact O-N 2.73Å; G172-Y174 VanDerWaalsContact O-N 3.14Å
173K75.6Confident72.4Confident201 Ų201131.3 Ų131.387%0.87464%0.641SS**  trans-51.5117.6-174.3-169.3178.7-1741790111.3E171 I175E171-K173 PolarHBondContact O-N 2.88Å; K173-I175 WeakPolarHBondContact O-CG1 3.36Å; K173-I175 PolarHBondContact O-N 2.91Å
174Y76.6Confident73.3Confident198 Ų198125.4 Ų125.478%0.77663%0.634SS**  trans-60109-171.3-173-122.1000112.5G172 I176G172-Y174 PolarHBondContact O-N 2.73Å; G172-Y174 VanDerWaalsContact O-N 3.14Å; Y174-I176 HydrophobicContact CD1-CD1 3.96Å; Y174-I176 HydrophobicContact CD1-CG1 3.57Å; Y174-I176 HydrophobicContact CE1-CD1 3.79Å; Y174-I176 HydrophobicContact CE1-CG1 3.5Å; Y174-I176 VanDerWaalsContact CE1-CG1 3.5Å; Y174-I176 PolarHBondContact O-N 2.96Å
175I79.6Confident74Confident129 Ų129126.5 Ų126.566%0.66264%0.639SS**  trans-90.3102.4-179.8-52.5-175.3000109.4K173 H177K173-I175 WeakPolarHBondContact O-CG1 3.36Å; K173-I175 PolarHBondContact O-N 2.91Å; I175-H177 PolarHBondContact O-N 2.81Å
176I80.3Confident74.8Confident109 Ų109117.1 Ų117.156%0.55961%0.609SS**  trans-84104173.6-43.9-176.7000109.1Y174 M178Y174-I176 HydrophobicContact CD1-CD1 3.96Å; Y174-I176 HydrophobicContact CD1-CG1 3.57Å; Y174-I176 HydrophobicContact CE1-CD1 3.79Å; Y174-I176 HydrophobicContact CE1-CG1 3.5Å; Y174-I176 VanDerWaalsContact CE1-CG1 3.5Å; Y174-I176 PolarHBondContact O-N 2.96Å; I176-M178 HydrophobicContact CB-CE 4.31Å; I176-M178 HydrophobicContact CG2-CE 3.42Å; I176-M178 VanDerWaalsContact CG2-CE 3.42Å; I176-M178 PolarHBondContact O-N 3.33Å
177H81.9Confident75.8Confident159 Ų159123.2 Ų123.274%0.73663%0.626SS**  trans-77.2113.9168.8-71.3132.1000110.3I175I175-H177 PolarHBondContact O-N 2.81Å
178M88.4Confident76.6Confident130 Ų130128.8 Ų128.864%0.6464%0.644SS**  trans-63.4143.2169.5-70.9-64.5101.500111.1I176I176-M178 HydrophobicContact CB-CE 4.31Å; I176-M178 HydrophobicContact CG2-CE 3.42Å; I176-M178 VanDerWaalsContact CG2-CE 3.42Å; I176-M178 PolarHBondContact O-N 3.33Å
179P82.6Confident77.5Confident83 Ų83130.5 Ų130.554%0.53964%0.64SS.*  trans-61142.3171.826.3-33.3000110.3L190P179-L190 HydrophobicContact CB-CD1 4.01Å; P179-L190 HydrophobicContact CG-CD1 3.8Å; P179-L190 HydrophobicContact CG-CD2 3.92Å; P179-L190 WeakPolarHBondContact O-CD1 3.48Å
180K80.9Confident78Confident194 Ų194129.1 Ų129.184%0.84364%0.637SS**  trans-98.716.4-172.1-63.4-173.8178.2-178.60115.1
181G83.6Confident78.9Confident3 Ų3128.7 Ų128.73%0.03164%0.635CS.*  trans59.554.1170.700000115.7T183G181-T183 VanDerWaalsContact C-N 3.3Å; G181-T183 PolarHBondContact O-N 3.41Å
182T79.9Confident79.7Confident135 Ų135130.5 Ų130.583%0.82865%0.645SS**  trans-61.1-32.7-174.8-39.10000113.9
183T83.4Confident80.2Confident68 Ų68134.5 Ų134.542%0.41765%0.648SS.*SBendtrans-93.5152.5177.288.50000111.9G181 R185 T186 R187G181-T183 VanDerWaalsContact C-N 3.3Å; G181-T183 PolarHBondContact O-N 3.41Å; T183-R185 PolarHBondContact O-N 3.14Å; T183-R185 PolarHBondContact OG1-N 3.31Å; T183-T186 PolarHBondContact O-N 3.45Å; T183-T186 PolarHBondContact OG1-N 2.9Å; T183-T186 VanDerWaalsContact OG1-N 3.1Å; T183-T186 PolarHBondContact OG1-OG1 3.1Å; T183-R187 PolarHBondContact O-N 3.48Å
184P78.8Confident80.5Confident120 Ų120130.6 Ų130.678%0.77963%0.634SS**THydrogen-bonded Turntrans-57.3-34.4176.8-25.134.5000113.6
185R75.7Confident80.8Confident205 Ų205126.4 Ų126.477%0.77463%0.625SS**THydrogen-bonded Turntrans-68.8-43.9175.5-175.8177.9179.2-173.70.4111.1T183 K188 I189T183-R185 PolarHBondContact O-N 3.14Å; T183-R185 PolarHBondContact OG1-N 3.31Å; R185-K188 PolarHBondContact O-N 3.36Å; R185-I189 HydrophobicContact CG-CD1 4Å; R185-I189 WeakPolarHBondContact O-CD1 3.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.33Å
186T83.1Confident80.8Confident55 Ų55126.2 Ų126.234%0.33762%0.623SS.*G310 helixtrans-66.3-37.6-179.9-40.90000111.6T183 K188 I189 L190T183-T186 PolarHBondContact O-N 3.45Å; T183-T186 PolarHBondContact OG1-N 2.9Å; T183-T186 VanDerWaalsContact OG1-N 3.1Å; T183-T186 PolarHBondContact OG1-OG1 3.1Å; T186-K188 PolarHBondContact O-N 3.22Å; T186-K188 VanDerWaalsContact O-N 3.14Å; T186-I189 PolarHBondContact O-N 3.42Å; T186-I189 VanDerWaalsContact O-N 3.13Å; T186-L190 HydrophobicContact CG2-CD1 3.67Å; T186-L190 HydrophobicContact CG2-CG 4.2Å; T186-L190 PolarHBondContact O-N 2.61Å
187R81.1Confident80.9Confident183 Ų183127.4 Ų127.469%0.69163%0.627SS**G310 helixtrans-69.5-1.7175.9-153.2-169.5-65.5-174.8-0.5114.8T183T183-R187 PolarHBondContact O-N 3.48Å
188K79.6Confident80.8Confident190 Ų190125 Ų12583%0.82662%0.619SS**G310 helixtrans-105.7-1.4173.4-164.6174.4176.9179.80112.6R185 T186R185-K188 PolarHBondContact O-N 3.36Å; T186-K188 PolarHBondContact O-N 3.22Å; T186-K188 VanDerWaalsContact O-N 3.14Å
189I80.8Confident80.2Confident126 Ų126124.6 Ų124.665%0.64662%0.617SS**THydrogen-bonded Turntrans-124-10.3-173-54170.3000110.8R185 T186R185-I189 HydrophobicContact CG-CD1 4Å; R185-I189 WeakPolarHBondContact O-CD1 3.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.33Å; T186-I189 PolarHBondContact O-N 3.42Å; T186-I189 VanDerWaalsContact O-N 3.13Å
190L72.5Confident79.9Confident133 Ų133128.4 Ų128.470%0.69662%0.624SS**  trans-113.30173-60.6175.6000109P179 T186P179-L190 HydrophobicContact CB-CD1 4.01Å; P179-L190 HydrophobicContact CG-CD1 3.8Å; P179-L190 HydrophobicContact CG-CD2 3.92Å; P179-L190 WeakPolarHBondContact O-CD1 3.48Å; T186-L190 HydrophobicContact CG2-CD1 3.67Å; T186-L190 HydrophobicContact CG2-CG 4.2Å; T186-L190 PolarHBondContact O-N 2.61Å

Retrieved 190 of 190 residues in 309 ms (Link to these results)

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