A0A077ZR49_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZR49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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
1M53.8Low79.7Confident217 Ų217102.3 Ų102.3100%1.06959%0.588SS**  0104.50-62.1-169.1-142.900109.4N3 G4M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.31Å; M1-G4 PolarHBondContact O-N 3.01Å
2P66.2Low80.5Confident112 Ų112108 Ų10873%0.72760%0.595SS**Hα-helixtrans-66.4-27.5-176.1-19.832.2000114.1
3N72.7Confident81.3Confident114 Ų114107.5 Ų107.561%0.6159%0.587SS**Hα-helixtrans-78-20.8-177-65-6.4000113.3M1 C5 K6 V7M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.31Å; N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.15Å; N3-K6 PolarHBondContact O-N 2.93Å; N3-V7 WeakPolarHBondContact O-CG2 3.17Å; N3-V7 PolarHBondContact O-N 3.32Å
4G75.9Confident81.8Confident33 Ų33106.9 Ų106.934%0.3459%0.588SS.*Hα-helixtrans-64.3-38.4-179.800000112.7M1 L8M1-G4 PolarHBondContact O-N 3.01Å; G4-L8 WeakPolarHBondContact O-CB 3.47Å; G4-L8 VanDerWaalsContact O-CG 3.28Å; G4-L8 WeakPolarHBondContact O-CG 3.48Å; G4-L8 PolarHBondContact O-N 3.47Å; G4-L8 VanDerWaalsContact O-N 3.07Å
5C80.9Confident82.2Confident89 Ų89105.2 Ų105.260%0.60158%0.582SS**Hα-helixtrans-65.3-42.9176.3-172.90000111.5N3 L8 T9N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.15Å; C5-L8 PolarHBondContact O-N 2.95Å; C5-T9 PolarHBondContact O-N 2.83Å; C5-T9 PolarHBondContact O-OG1 3.2Å
6K85.2Confident82.7Confident141 Ų141107.4 Ų107.461%0.61359%0.587SS**Hα-helixtrans-61.8-48.6176.6-67.9-175.1176.3-177.50112.1N3 L8 T9 D10N3-K6 PolarHBondContact O-N 2.93Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-N 3.11Å; K6-D10 WeakPolarHBondContact O-CB 3.45Å; K6-D10 PolarHBondContact O-N 3.04Å
7V87.1Confident83.1Confident95 Ų95106.4 Ų106.458%0.57658%0.581SS**Hα-helixtrans-61-39.8179.8174.10000111.7N3 A11N3-V7 WeakPolarHBondContact O-CG2 3.17Å; N3-V7 PolarHBondContact O-N 3.32Å; V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 2.63Å
8L88.2Confident83.4Confident107 Ų107103.9 Ų103.956%0.5656%0.564SS**Hα-helixtrans-64.7-48.6175.4-72.5170.1000111.2G4 C5 K6 D10 A11 Y12G4-L8 WeakPolarHBondContact O-CB 3.47Å; G4-L8 VanDerWaalsContact O-CG 3.28Å; G4-L8 WeakPolarHBondContact O-CG 3.48Å; G4-L8 PolarHBondContact O-N 3.47Å; G4-L8 VanDerWaalsContact O-N 3.07Å; C5-L8 PolarHBondContact O-N 2.95Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3.13Å; L8-D10 VanDerWaalsContact C-N 3.32Å; L8-D10 PolarHBondContact O-N 3.45Å; L8-A11 PolarHBondContact O-N 3.07Å; L8-Y12 WeakPolarHBondContact O-CD2 3.49Å; L8-Y12 PolarHBondContact O-N 2.92Å
9T88.6Confident83.7Confident71 Ų71102.9 Ų102.944%0.43656%0.561SS.*Hα-helixtrans-58.4-44177.1-58.20000111.7C5 K6 A11 Y12 M13C5-T9 PolarHBondContact O-N 2.83Å; C5-T9 PolarHBondContact O-OG1 3.2Å; K6-T9 PolarHBondContact O-N 3.11Å; T9-A11 PolarHBondContact O-N 3.04Å; T9-Y12 PolarHBondContact O-N 3.46Å; T9-M13 HydrophobicContact CG2-SD 4.43Å; T9-M13 WeakPolarHBondContact O-CG 3.26Å; T9-M13 PolarHBondContact O-N 3.35Å
10D89.2Confident84.1Confident94 Ų94104.5 Ų104.550%0.50356%0.564SS.*Hα-helixtrans-62.4-44.1177.5-66-22.5000111.2K6 L8 Y12 M13 V14K6-D10 WeakPolarHBondContact O-CB 3.45Å; K6-D10 PolarHBondContact O-N 3.04Å; L8-D10 VanDerWaalsContact C-N 3.32Å; L8-D10 PolarHBondContact O-N 3.45Å; D10-Y12 PolarHBondContact O-N 3.27Å; D10-M13 PolarHBondContact O-N 2.98Å; D10-V14 WeakPolarHBondContact O-CG2 3.36Å; D10-V14 PolarHBondContact O-N 3.35Å
11A88.3Confident84.2Confident52 Ų52105.9 Ų105.943%0.4357%0.565SS.*Hα-helixtrans-63.4-40.2176.500000112.5V7 L8 T9 V14 T15V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 2.63Å; L8-A11 PolarHBondContact O-N 3.07Å; T9-A11 PolarHBondContact O-N 3.04Å; A11-V14 PolarHBondContact O-N 3.17Å; A11-T15 WeakPolarHBondContact O-CB 3.13Å; A11-T15 PolarHBondContact O-N 2.98Å; A11-T15 PolarHBondContact O-OG1 3.3Å
12Y90Very high85.8Confident171 Ų17196.9 Ų96.967%0.67152%0.522SS*.Hα-helixtrans-63.2-46.2173.5-86.8-71.3000111.4L8 T9 D10 V14 T15 E16L8-Y12 WeakPolarHBondContact O-CD2 3.49Å; L8-Y12 PolarHBondContact O-N 2.92Å; T9-Y12 PolarHBondContact O-N 3.46Å; D10-Y12 PolarHBondContact O-N 3.27Å; Y12-V14 VanDerWaalsContact C-N 3.35Å; Y12-V14 PolarHBondContact O-N 2.99Å; Y12-T15 PolarHBondContact O-N 3.01Å; Y12-E16 WeakPolarHBondContact O-CB 3.36Å; Y12-E16 PolarHBondContact O-N 3.46Å
13M90.5Very high86.8Confident101 Ų10197.9 Ų97.950%0.49852%0.515SS..Hα-helixtrans-61.4-40.8177.3-75.9-174.964.200112.4T9 D10 E16 N17T9-M13 HydrophobicContact CG2-SD 4.43Å; T9-M13 WeakPolarHBondContact O-CG 3.26Å; T9-M13 PolarHBondContact O-N 3.35Å; D10-M13 PolarHBondContact O-N 2.98Å; M13-E16 PolarHBondContact O-N 3.4Å; M13-N17 VanDerWaalsContact O-CB 3.3Å; M13-N17 WeakPolarHBondContact O-CB 3.49Å; M13-N17 VanDerWaalsContact O-CG 3.22Å; M13-N17 PolarHBondContact O-N 3.43Å; M13-N17 PolarHBondContact O-ND2 3.12Å
14V88.3Confident87.4Confident99 Ų9994.9 Ų94.960%0.651%0.506SS*.Hα-helixtrans-63.4-43.7175.9171.10000110.7D10 A11 Y12 F18D10-V14 WeakPolarHBondContact O-CG2 3.36Å; D10-V14 PolarHBondContact O-N 3.35Å; A11-V14 PolarHBondContact O-N 3.17Å; Y12-V14 VanDerWaalsContact C-N 3.35Å; Y12-V14 PolarHBondContact O-N 2.99Å; V14-F18 VanDerWaalsContact O-CB 3.24Å; V14-F18 WeakPolarHBondContact O-CB 3.23Å; V14-F18 PolarHBondContact O-N 2.88Å
15T87.8Confident87.8Confident82 Ų8295.6 Ų95.650%0.50350%0.499SS..Hα-helixtrans-64.9-43.3178.3-54.90000111.5A11 Y12 F18 V19A11-T15 WeakPolarHBondContact O-CB 3.13Å; A11-T15 PolarHBondContact O-N 2.98Å; A11-T15 PolarHBondContact O-OG1 3.3Å; Y12-T15 PolarHBondContact O-N 3.01Å; T15-F18 WeakPolarHBondContact O-CB 3.3Å; T15-F18 PolarHBondContact O-N 3.07Å; T15-V19 WeakPolarHBondContact O-CG2 3.29Å; T15-V19 PolarHBondContact O-N 3.39Å
16E90.4Very high87.8Confident140 Ų14094 Ų9465%0.65449%0.487SS*.Hα-helixtrans-64.6-46.5178.4-175.6171.1-143.900111.6Y12 M13 F18 V19 H20Y12-E16 WeakPolarHBondContact O-CB 3.36Å; Y12-E16 PolarHBondContact O-N 3.46Å; M13-E16 PolarHBondContact O-N 3.4Å; E16-F18 PolarHBondContact O-N 2.75Å; E16-V19 PolarHBondContact O-N 3Å; E16-H20 WeakPolarHBondContact O-CB 3.32Å; E16-H20 PolarHBondContact O-N 3.47Å
17N89.6Confident87.6Confident91 Ų9191.3 Ų91.349%0.48748%0.479SS..Hα-helixtrans-59-38.7174.8-77.5-39.4000112.1M13 H20 K21M13-N17 VanDerWaalsContact O-CB 3.3Å; M13-N17 WeakPolarHBondContact O-CB 3.49Å; M13-N17 VanDerWaalsContact O-CG 3.22Å; M13-N17 PolarHBondContact O-N 3.43Å; M13-N17 PolarHBondContact O-ND2 3.12Å; N17-H20 PolarHBondContact O-N 3.1Å; N17-K21 WeakPolarHBondContact O-CG 3.48Å; N17-K21 PolarHBondContact O-N 3.37Å
18F88.3Confident87.1Confident62 Ų6290.1 Ų90.127%0.27247%0.467SS..Hα-helixtrans-65.4-49.2176.9179.5-94.1000112.2V14 T15 E16 H20 K21 V22 F77 V80V14-F18 VanDerWaalsContact O-CB 3.24Å; V14-F18 WeakPolarHBondContact O-CB 3.23Å; V14-F18 PolarHBondContact O-N 2.88Å; T15-F18 WeakPolarHBondContact O-CB 3.3Å; T15-F18 PolarHBondContact O-N 3.07Å; E16-F18 PolarHBondContact O-N 2.75Å; F18-H20 PolarHBondContact O-N 2.94Å; F18-K21 PolarHBondContact O-N 2.74Å; F18-V22 HydrophobicContact CD1-CG2 4.34Å; F18-V22 HydrophobicContact CE1-CG2 4.05Å; F18-V22 HydrophobicContact CZ-CG2 4.3Å; F18-V22 WeakPolarHBondContact O-CG2 3.4Å; F18-V22 PolarHBondContact O-N 3.41Å; F18-F77 HydrophobicContact CD2-CB 4.29Å; F18-F77 VanDerWaalsContact CE2-C 3.42Å; F18-F77 HydrophobicContact CE2-CB 3.45Å; F18-F77 VanDerWaalsContact CE2-CB 3.45Å; F18-F77 WeakPolarHBondContact CE2-O 3.48Å; F18-F77 HydrophobicContact CZ-CB 3.73Å; F18-F77 WeakPolarHBondContact CZ-O 3.41Å; F18-V80 HydrophobicContact CE1-CB 4.04Å; F18-V80 HydrophobicContact CE1-CG2 3.5Å; F18-V80 HydrophobicContact CZ-CB 3.64Å; F18-V80 HydrophobicContact CZ-CG2 3.51Å
19V88.9Confident86.4Confident85 Ų8587 Ų8752%0.51545%0.448SS..Hα-helixtrans-58.3-40.4174.7170.50000110.6T15 E16 V22 K23T15-V19 WeakPolarHBondContact O-CG2 3.29Å; T15-V19 PolarHBondContact O-N 3.39Å; E16-V19 PolarHBondContact O-N 3Å; V19-V22 PolarHBondContact O-N 3.3Å; V19-K23 VanDerWaalsContact O-CB 3.3Å; V19-K23 WeakPolarHBondContact O-CB 3.36Å; V19-K23 PolarHBondContact O-N 3.45Å
20H91.3Very high85.5Confident134 Ų13487.6 Ų87.662%0.6245%0.448SS*.Hα-helixtrans-62.6-44.6177.3-166.787.5000112.2E16 N17 F18 K23 A24E16-H20 WeakPolarHBondContact O-CB 3.32Å; E16-H20 PolarHBondContact O-N 3.47Å; N17-H20 PolarHBondContact O-N 3.1Å; F18-H20 PolarHBondContact O-N 2.94Å; H20-K23 PolarHBondContact O-N 2.9Å; H20-A24 WeakPolarHBondContact O-CB 3.33Å; H20-A24 PolarHBondContact O-N 3.3Å
21K87.8Confident84.6Confident133 Ų13390 Ų9058%0.57845%0.45SS*.Hα-helixtrans-62.1-45.8176.5-75.1176.7-179.4-179.20112.4N17 F18 A24 Y25 F77N17-K21 WeakPolarHBondContact O-CG 3.48Å; N17-K21 PolarHBondContact O-N 3.37Å; F18-K21 PolarHBondContact O-N 2.74Å; K21-A24 PolarHBondContact O-N 3.16Å; K21-Y25 PolarHBondContact O-N 3.41Å; K21-F77 HydrophobicContact CB-CD1 4.13Å; K21-F77 HydrophobicContact CB-CE1 3.98Å
22V86.9Confident83.7Confident29 Ų2990 Ų9018%0.17644%0.439CS..Hα-helixtrans-60.5-46.8176.5169.60000110.1F18 V19 A24 Y25 V26 F77 V80 I82F18-V22 HydrophobicContact CD1-CG2 4.34Å; F18-V22 HydrophobicContact CE1-CG2 4.05Å; F18-V22 HydrophobicContact CZ-CG2 4.3Å; F18-V22 WeakPolarHBondContact O-CG2 3.4Å; F18-V22 PolarHBondContact O-N 3.41Å; V19-V22 PolarHBondContact O-N 3.3Å; V22-A24 PolarHBondContact O-N 3.25Å; V22-Y25 PolarHBondContact O-N 3.39Å; V22-V26 HydrophobicContact CG1-CG2 4.49Å; V22-V26 WeakPolarHBondContact O-CG2 3.29Å; V22-V26 PolarHBondContact O-N 3.36Å; V22-F77 HydrophobicContact CG2-CB 4Å; V22-F77 HydrophobicContact CG2-CD1 4.23Å; V22-F77 HydrophobicContact CG2-CD2 3.99Å; V22-F77 HydrophobicContact CG2-CG 3.82Å; V22-V80 HydrophobicContact CG2-CG1 4.44Å; V22-I82 HydrophobicContact CG1-CD1 4.2Å
23K87.1Confident82.5Confident132 Ų13285.9 Ų85.957%0.57443%0.426SS*.Hα-helixtrans-62.9-42.3178.6-172.2176.4-178178.80112.4V19 H20 Y25 V26 N27V19-K23 VanDerWaalsContact O-CB 3.3Å; V19-K23 WeakPolarHBondContact O-CB 3.36Å; V19-K23 PolarHBondContact O-N 3.45Å; H20-K23 PolarHBondContact O-N 2.9Å; K23-Y25 VanDerWaalsContact C-N 3.33Å; K23-Y25 PolarHBondContact O-N 2.99Å; K23-V26 PolarHBondContact O-N 2.8Å; K23-N27 VanDerWaalsContact O-CB 3.3Å; K23-N27 WeakPolarHBondContact O-CB 3.22Å; K23-N27 PolarHBondContact O-N 2.91Å; K23-N27 PolarHBondContact O-ND2 3.39Å
24A85.8Confident81.1Confident51 Ų5184.2 Ų84.242%0.42143%0.429SS..Hα-helixtrans-61.1-42.9176.300000111.6H20 K21 V22 N27 E28H20-A24 WeakPolarHBondContact O-CB 3.33Å; H20-A24 PolarHBondContact O-N 3.3Å; K21-A24 PolarHBondContact O-N 3.16Å; V22-A24 PolarHBondContact O-N 3.25Å; A24-N27 PolarHBondContact O-N 2.86Å; A24-E28 PolarHBondContact O-N 2.99Å
25Y82.5Confident79.9Confident48 Ų4882.7 Ų82.719%0.18842%0.417CS..Hα-helixtrans-66.9-44.4177.6-169.5-98.8000112.5K21 V22 K23 N27 E28 W29 K75 F77 I82 F84K21-Y25 PolarHBondContact O-N 3.41Å; V22-Y25 PolarHBondContact O-N 3.39Å; K23-Y25 VanDerWaalsContact C-N 3.33Å; K23-Y25 PolarHBondContact O-N 2.99Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.32Å; Y25-E28 PolarHBondContact O-N 3.43Å; Y25-W29 AromaticContact CD1-CD1 3.73Å; Y25-W29 AromaticContact CE1-CD1 3.34Å; Y25-W29 AromaticContact CE1-NE1 3.2Å; Y25-W29 AromaticContact CZ-CD1 3.68Å; Y25-W29 AromaticContact CZ-NE1 3.16Å; Y25-W29 PolarHBondContact O-N 3.03Å; Y25-W29 VanDerWaalsContact O-N 3.11Å; Y25-W29 PolarHBondContact OH-NE1 3.21Å; Y25-K75 HydrophobicContact CD1-CB 4.38Å; Y25-K75 HydrophobicContact CD2-CG 4.41Å; Y25-K75 HydrophobicContact CE1-CB 3.7Å; Y25-K75 HydrophobicContact CE1-CG 4.25Å; Y25-K75 HydrophobicContact CE2-CB 4.27Å; Y25-K75 HydrophobicContact CE2-CG 4.04Å; Y25-F77 HydrophobicContact CD1-CE2 4.12Å; Y25-F77 HydrophobicContact CD1-CZ 4.3Å; Y25-F77 HydrophobicContact CD2-CZ 4.21Å; Y25-F77 HydrophobicContact CG-CE2 4.08Å; Y25-F77 AromaticContact CG-CZ 3.79Å; Y25-F77 HydrophobicContact CG-CZ 3.79Å; Y25-I82 HydrophobicContact CD1-CD1 3.69Å; Y25-I82 HydrophobicContact CD1-CG2 4.41Å; Y25-I82 HydrophobicContact CE1-CB 4.49Å; Y25-I82 HydrophobicContact CE1-CD1 4.38Å; Y25-I82 HydrophobicContact CE1-CG2 4.19Å; Y25-F84 HydrophobicContact CE1-CD1 4.2Å; Y25-F84 HydrophobicContact CE1-CE1 4.2Å; Y25-F84 WeakPolarHBondContact OH-CE1 3.36Å; Y25-F84 WeakPolarHBondContact OH-CZ 3.47Å
26V80.9Confident78.9Confident57 Ų5785.2 Ų85.235%0.34542%0.417SS..Hα-helixtrans-61.9-39.4174.7172.50000111V22 K23 W29 L30 I82V22-V26 HydrophobicContact CG1-CG2 4.49Å; V22-V26 WeakPolarHBondContact O-CG2 3.29Å; V22-V26 PolarHBondContact O-N 3.36Å; K23-V26 PolarHBondContact O-N 2.8Å; V26-W29 CarbonylContact O-C 3.5Å; V26-W29 WeakPolarHBondContact O-CB 3.44Å; V26-W29 PolarHBondContact O-N 2.92Å; V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 HydrophobicContact CG1-CG 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.33Å; V26-I82 HydrophobicContact CG2-CD1 3.84Å
27N81.5Confident77.8Confident83 Ų8383.4 Ų83.444%0.44441%0.412SS..Hα-helixtrans-64.9-39.4176.9-77.1-14.9000112.7K23 A24 Y25 W29 L30 R31K23-N27 VanDerWaalsContact O-CB 3.3Å; K23-N27 WeakPolarHBondContact O-CB 3.22Å; K23-N27 PolarHBondContact O-N 2.91Å; K23-N27 PolarHBondContact O-ND2 3.39Å; A24-N27 PolarHBondContact O-N 2.86Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.32Å; N27-W29 VanDerWaalsContact C-N 3.27Å; N27-W29 PolarHBondContact O-N 3.21Å; N27-L30 PolarHBondContact O-N 2.89Å; N27-R31 PolarHBondContact O-N 3.48Å
28E76.7Confident76.9Confident71 Ų7182.5 Ų82.533%0.33241%0.407SS..Hα-helixtrans-60.1-42173.5-17465.7-174.400110.5A24 Y25 R31 Y32A24-E28 PolarHBondContact O-N 2.99Å; Y25-E28 PolarHBondContact O-N 3.43Å; E28-R31 VanDerWaalsContact CD-NH2 3.26Å; E28-R31 WeakPolarHBondContact O-CB 3.31Å; E28-R31 PolarHBondContact O-N 2.81Å; E28-R31 IonicContact OE1-CZ 3.68Å; E28-R31 IonicContact OE1-NH1 2.93Å; E28-R31 IonicContact OE1-NH2 3.99Å; E28-R31 PolarHBondContact OE1-NH2 3.26Å; E28-R31 IonicContact OE2-CZ 2.69Å; E28-R31 IonicContact OE2-NE 3.38Å; E28-R31 IonicContact OE2-NH1 3.68Å; E28-R31 PolarHBondContact OE2-NH1 2.99Å; E28-R31 VanDerWaalsContact OE2-NH1 3.1Å; E28-R31 IonicContact OE2-NH2 3.2Å; E28-R31 PolarHBondContact OE2-NH2 2.83Å; E28-Y32 HydrophobicContact CG-CE2 4.18Å; E28-Y32 WeakPolarHBondContact O-CD2 3.2Å; E28-Y32 WeakPolarHBondContact O-CE2 3.43Å; E28-Y32 PolarHBondContact OE1-OH 2.85Å
29W73Confident76.2Confident40 Ų4085.6 Ų85.615%0.15242%0.422CS..Hα-helixtrans-66.4-41.2173.8-86.197.3000114Y25 V26 N27 R31 Y32 Q33 F84 V87 Q88Y25-W29 AromaticContact CD1-CD1 3.73Å; Y25-W29 AromaticContact CE1-CD1 3.34Å; Y25-W29 AromaticContact CE1-NE1 3.2Å; Y25-W29 AromaticContact CZ-CD1 3.68Å; Y25-W29 AromaticContact CZ-NE1 3.16Å; Y25-W29 PolarHBondContact O-N 3.03Å; Y25-W29 VanDerWaalsContact O-N 3.11Å; Y25-W29 PolarHBondContact OH-NE1 3.21Å; V26-W29 CarbonylContact O-C 3.5Å; V26-W29 WeakPolarHBondContact O-CB 3.44Å; V26-W29 PolarHBondContact O-N 2.92Å; N27-W29 VanDerWaalsContact C-N 3.27Å; N27-W29 PolarHBondContact O-N 3.21Å; W29-R31 VanDerWaalsContact C-N 3.26Å; W29-R31 PolarHBondContact O-N 3.5Å; W29-Y32 WeakPolarHBondContact O-CB 3.5Å; W29-Y32 PolarHBondContact O-N 3.35Å; W29-Y32 VanDerWaalsContact O-N 3.1Å; W29-Q33 PolarHBondContact O-N 3.44Å; W29-F84 HydrophobicContact CD2-CB 4.41Å; W29-F84 AromaticContact CE2-CD2 3.84Å; W29-F84 AromaticContact CE2-CG 3.79Å; W29-F84 HydrophobicContact CH2-CB 4.23Å; W29-F84 AromaticContact CH2-CD2 3.29Å; W29-F84 HydrophobicContact CH2-CD2 3.29Å; W29-F84 AromaticContact CH2-CE2 3.78Å; W29-F84 HydrophobicContact CH2-CE2 3.78Å; W29-F84 AromaticContact CH2-CG 3.96Å; W29-F84 HydrophobicContact CH2-CG 3.96Å; W29-F84 HydrophobicContact CZ2-CB 4.07Å; W29-F84 HydrophobicContact CZ2-CD1 4.13Å; W29-F84 AromaticContact CZ2-CD2 3.04Å; W29-F84 HydrophobicContact CZ2-CD2 3.04Å; W29-F84 HydrophobicContact CZ2-CE1 4.34Å; W29-F84 AromaticContact CZ2-CE2 3.27Å; W29-F84 HydrophobicContact CZ2-CE2 3.27Å; W29-F84 AromaticContact CZ2-CG 3.49Å; W29-F84 HydrophobicContact CZ2-CG 3.49Å; W29-F84 VanDerWaalsContact CZ2-CG 3.49Å; W29-F84 AromaticContact CZ2-CZ 3.94Å; W29-F84 HydrophobicContact CZ2-CZ 3.94Å; W29-F84 HydrophobicContact CZ3-CB 4.46Å; W29-F84 HydrophobicContact CZ3-CD2 4.26Å; W29-V87 HydrophobicContact CE3-CG1 4.27Å; W29-V87 HydrophobicContact CZ3-CG1 4.28Å; W29-Q88 HydrophobicContact CH2-CB 4.23Å
30L70.6Confident75.5Confident85 Ų8582.3 Ų82.345%0.44540%0.404SS..Hα-helixtrans-65.5-29.2175.1-73.7173000112V26 N27 Y32 Q33 A34V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 HydrophobicContact CG1-CG 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.33Å; N27-L30 PolarHBondContact O-N 2.89Å; L30-Y32 PolarHBondContact O-N 3.46Å; L30-Q33 WeakPolarHBondContact O-CA 3.38Å; L30-Q33 WeakPolarHBondContact O-CB 3.29Å; L30-Q33 PolarHBondContact O-N 3.49Å; L30-A34 PolarHBondContact O-N 3.4Å
31R70.6Confident74.9Confident144 Ų14480.7 Ų80.754%0.54340%0.4SS..Hα-helixtrans-62.7-34.2172.6-163.9178.270.7-155.5-3.6111.4N27 E28 W29 Q33 A34N27-R31 PolarHBondContact O-N 3.48Å; E28-R31 VanDerWaalsContact CD-NH2 3.26Å; E28-R31 WeakPolarHBondContact O-CB 3.31Å; E28-R31 PolarHBondContact O-N 2.81Å; E28-R31 IonicContact OE1-CZ 3.68Å; E28-R31 IonicContact OE1-NH1 2.93Å; E28-R31 IonicContact OE1-NH2 3.99Å; E28-R31 PolarHBondContact OE1-NH2 3.26Å; E28-R31 IonicContact OE2-CZ 2.69Å; E28-R31 IonicContact OE2-NE 3.38Å; E28-R31 IonicContact OE2-NH1 3.68Å; E28-R31 PolarHBondContact OE2-NH1 2.99Å; E28-R31 VanDerWaalsContact OE2-NH1 3.1Å; E28-R31 IonicContact OE2-NH2 3.2Å; E28-R31 PolarHBondContact OE2-NH2 2.83Å; W29-R31 VanDerWaalsContact C-N 3.26Å; W29-R31 PolarHBondContact O-N 3.5Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.36Å; R31-A34 WeakPolarHBondContact O-CB 3.36Å; R31-A34 PolarHBondContact O-N 2.88Å
32Y68.4Low74.6Confident52 Ų5280.2 Ų80.220%0.20440%0.401CS..Hα-helixtrans-71.7-18.8171.3-59.2-56.2000113.1E28 W29 L30 A34 L35 W36 F68E28-Y32 HydrophobicContact CG-CE2 4.18Å; E28-Y32 WeakPolarHBondContact O-CD2 3.2Å; E28-Y32 WeakPolarHBondContact O-CE2 3.43Å; E28-Y32 PolarHBondContact OE1-OH 2.85Å; W29-Y32 WeakPolarHBondContact O-CB 3.5Å; W29-Y32 PolarHBondContact O-N 3.35Å; W29-Y32 VanDerWaalsContact O-N 3.1Å; L30-Y32 PolarHBondContact O-N 3.46Å; Y32-A34 VanDerWaalsContact C-N 3.3Å; Y32-A34 PolarHBondContact O-N 3.01Å; Y32-L35 HydrophobicContact CD1-CD1 3.9Å; Y32-L35 WeakPolarHBondContact O-CB 3.49Å; Y32-L35 PolarHBondContact O-N 3.18Å; Y32-W36 PolarHBondContact O-N 3.2Å; Y32-F68 AromaticContact CD1-CE1 3.83Å; Y32-F68 HydrophobicContact CD1-CE1 3.83Å; Y32-F68 HydrophobicContact CD1-CE2 4.22Å; Y32-F68 AromaticContact CD1-CZ 3.27Å; Y32-F68 HydrophobicContact CD1-CZ 3.27Å; Y32-F68 AromaticContact CD2-CE1 3.89Å; Y32-F68 HydrophobicContact CD2-CE1 3.89Å; Y32-F68 HydrophobicContact CD2-CZ 4.2Å; Y32-F68 HydrophobicContact CE1-CE1 4.2Å; Y32-F68 HydrophobicContact CE1-CE2 4.44Å; Y32-F68 AromaticContact CE1-CZ 3.75Å; Y32-F68 HydrophobicContact CE1-CZ 3.75Å; Y32-F68 HydrophobicContact CE2-CE1 4.3Å; Y32-F68 AromaticContact CG-CE1 3.67Å; Y32-F68 HydrophobicContact CG-CE1 3.67Å; Y32-F68 AromaticContact CG-CZ 3.54Å; Y32-F68 HydrophobicContact CG-CZ 3.54Å
33Q64.6Low74.3Confident84 Ų8480.2 Ų80.239%0.39340%0.4SS..Hα-helixtrans-66.4-31.1169.2-160.9-175.8-65.400112.1W29 L30 R31 L35 W36 D37W29-Q33 PolarHBondContact O-N 3.44Å; L30-Q33 WeakPolarHBondContact O-CA 3.38Å; L30-Q33 WeakPolarHBondContact O-CB 3.29Å; L30-Q33 PolarHBondContact O-N 3.49Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.36Å; Q33-L35 PolarHBondContact O-N 2.92Å; Q33-W36 HydrophobicContact CG-CE3 3.58Å; Q33-W36 HydrophobicContact CG-CZ3 4.23Å; Q33-W36 WeakPolarHBondContact O-CA 3.48Å; Q33-W36 WeakPolarHBondContact O-CB 3.41Å; Q33-W36 PolarHBondContact O-N 3.37Å; Q33-D37 PolarHBondContact O-N 2.93Å
34A62.5Low74.1Confident67 Ų6774.7 Ų74.755%0.55438%0.376SS*.Hα-helixtrans-62.5-30.8174.300000112.2L30 R31 Y32 W36L30-A34 PolarHBondContact O-N 3.4Å; R31-A34 WeakPolarHBondContact O-CB 3.36Å; R31-A34 PolarHBondContact O-N 2.88Å; Y32-A34 VanDerWaalsContact C-N 3.3Å; Y32-A34 PolarHBondContact O-N 3.01Å; A34-W36 VanDerWaalsContact C-N 3.29Å
35L63.1Low74.1Confident67 Ų6778.5 Ų78.535%0.35139%0.389SS..Hα-helixtrans-71.7-24.2170.5-67.8159.2000111.9Y32 Q33 Y95 W98Y32-L35 HydrophobicContact CD1-CD1 3.9Å; Y32-L35 WeakPolarHBondContact O-CB 3.49Å; Y32-L35 PolarHBondContact O-N 3.18Å; Q33-L35 PolarHBondContact O-N 2.92Å; L35-Y95 WeakPolarHBondContact CD1-OH 3.48Å; L35-W98 WeakPolarHBondContact O-CH2 3.45Å; L35-W98 WeakPolarHBondContact O-CZ3 3.45Å
36W65.7Low74.2Confident134 Ų13486.4 Ų86.451%0.50842%0.418SS..Hα-helixtrans-75.6-35.1175.3-178.950.8000112.7Y32 Q33 A34 L38Y32-W36 PolarHBondContact O-N 3.2Å; Q33-W36 HydrophobicContact CG-CE3 3.58Å; Q33-W36 HydrophobicContact CG-CZ3 4.23Å; Q33-W36 WeakPolarHBondContact O-CA 3.48Å; Q33-W36 WeakPolarHBondContact O-CB 3.41Å; Q33-W36 PolarHBondContact O-N 3.37Å; A34-W36 VanDerWaalsContact C-N 3.29Å; W36-L38 VanDerWaalsContact C-N 3.31Å; W36-L38 PolarHBondContact O-N 3.5Å
37D67.9Low74.4Confident103 Ų10384.1 Ų84.155%0.55140%0.404SS*.Hα-helixtrans-76.8-15.7-179.7-68.4-31.2000113.7Q33 Q39Q33-D37 PolarHBondContact O-N 2.93Å; D37-Q39 PolarHBondContact O-N 2.96Å; D37-Q39 VanDerWaalsContact O-N 3.16Å
38L70.2Confident74.7Confident71 Ų7182 Ų8237%0.37240%0.402SS..  trans-62.3121177.4-174.982.7000108.8W36 L43 W98W36-L38 VanDerWaalsContact C-N 3.31Å; W36-L38 PolarHBondContact O-N 3.5Å; L38-L43 HydrophobicContact CD2-CB 4.37Å; L38-L43 HydrophobicContact CD2-CD1 3.86Å; L38-W98 HydrophobicContact CB-CH2 3.75Å; L38-W98 HydrophobicContact CB-CZ3 4.42Å; L38-W98 HydrophobicContact CD2-CH2 4.06Å; L38-W98 HydrophobicContact CD2-CZ3 4.01Å; L38-W98 HydrophobicContact CG-CH2 4.29Å; L38-W98 VanDerWaalsContact O-CH2 3.23Å; L38-W98 WeakPolarHBondContact O-CH2 3.31Å; L38-W98 WeakPolarHBondContact O-CZ2 3.37Å
39Q73.3Confident75.1Confident127 Ų12784.3 Ų84.359%0.59342%0.421SS*.  trans-79.4136176-65-179.924.800109.2D37 D41 M42 L43D37-Q39 PolarHBondContact O-N 2.96Å; D37-Q39 VanDerWaalsContact O-N 3.16Å; Q39-D41 PolarHBondContact O-N 3.21Å; Q39-M42 HydrophobicContact CB-CG 4.05Å; Q39-M42 WeakPolarHBondContact O-CB 3.36Å; Q39-M42 PolarHBondContact O-N 3.44Å; Q39-M42 VanDerWaalsContact O-N 3.15Å; Q39-L43 PolarHBondContact O-N 3.41Å
40A74.5Confident75.7Confident17 Ų1785.4 Ų85.414%0.1443%0.43CS..Hα-helixtrans-55.9-40.5-179.700000111.4M42 L43 Y44A40-M42 PolarHBondContact O-N 2.92Å; A40-L43 WeakPolarHBondContact O-CB 3.5Å; A40-L43 PolarHBondContact O-N 3.29Å; A40-L43 VanDerWaalsContact O-N 3.08Å; A40-Y44 HydrophobicContact CB-CE2 3.62Å; A40-Y44 WeakPolarHBondContact O-CD2 3.4Å; A40-Y44 WeakPolarHBondContact O-CE2 3.25Å; A40-Y44 VanDerWaalsContact O-CG 3.25Å; A40-Y44 PolarHBondContact O-N 2.92Å
41D79.8Confident76.4Confident100 Ų10083.4 Ų83.454%0.53542%0.42SS..Hα-helixtrans-59.3-43.6178.8-58.5-42.6000112.6Q39 L43 Y44 D45Q39-D41 PolarHBondContact O-N 3.21Å; D41-L43 PolarHBondContact O-N 3.27Å; D41-Y44 PolarHBondContact O-N 3.02Å; D41-Y44 VanDerWaalsContact O-N 3.09Å; D41-D45 PolarHBondContact O-N 3.36Å
42M81.1Confident77.2Confident123 Ų12379.8 Ų79.861%0.60642%0.415SS*.Hα-helixtrans-62.4-33.5176.6-66.1-70.6-69.400112.4Q39 A40 R46Q39-M42 HydrophobicContact CB-CG 4.05Å; Q39-M42 WeakPolarHBondContact O-CB 3.36Å; Q39-M42 PolarHBondContact O-N 3.44Å; Q39-M42 VanDerWaalsContact O-N 3.15Å; A40-M42 PolarHBondContact O-N 2.92Å; M42-R46 WeakPolarHBondContact O-CB 3.44Å; M42-R46 PolarHBondContact O-N 2.93Å
43L80.5Confident78.1Confident28 Ų2882 Ų8215%0.14743%0.426CS..Hα-helixtrans-70.8-41.8175.1-179.8141.4000110.5L38 Q39 A40 D41 R46 L47 T57 I102L38-L43 HydrophobicContact CD2-CB 4.37Å; L38-L43 HydrophobicContact CD2-CD1 3.86Å; Q39-L43 PolarHBondContact O-N 3.41Å; A40-L43 WeakPolarHBondContact O-CB 3.5Å; A40-L43 PolarHBondContact O-N 3.29Å; A40-L43 VanDerWaalsContact O-N 3.08Å; D41-L43 PolarHBondContact O-N 3.27Å; L43-R46 PolarHBondContact O-N 2.88Å; L43-L47 HydrophobicContact CD2-CD1 3.56Å; L43-L47 HydrophobicContact CD2-CG 4.35Å; L43-L47 HydrophobicContact CG-CD1 4.27Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 2.87Å; L43-T57 HydrophobicContact CD1-CG2 4.23Å; L43-I102 HydrophobicContact CD2-CD1 3.62Å; L43-I102 HydrophobicContact CD2-CG1 3.97Å
44Y82.9Confident79.2Confident17 Ų1778.3 Ų78.37%0.06741%0.408CS..Hα-helixtrans-64.2-44.2177.5-54.9-35.3000112.5A40 D41 R46 L47 G48 W54 E101 I102A40-Y44 HydrophobicContact CB-CE2 3.62Å; A40-Y44 WeakPolarHBondContact O-CD2 3.4Å; A40-Y44 WeakPolarHBondContact O-CE2 3.25Å; A40-Y44 VanDerWaalsContact O-CG 3.25Å; A40-Y44 PolarHBondContact O-N 2.92Å; D41-Y44 PolarHBondContact O-N 3.02Å; D41-Y44 VanDerWaalsContact O-N 3.09Å; Y44-R46 PolarHBondContact O-N 2.95Å; Y44-L47 PolarHBondContact O-N 2.82Å; Y44-G48 PolarHBondContact O-N 3.42Å; Y44-W54 AromaticContact CD1-CH2 3.72Å; Y44-W54 HydrophobicContact CD1-CH2 3.72Å; Y44-W54 HydrophobicContact CD1-CZ3 4.29Å; Y44-W54 HydrophobicContact CE1-CH2 4.33Å; Y44-E101 HydrophobicContact CE2-CG 4.46Å; Y44-E101 WeakPolarHBondContact CE2-OE1 3.39Å; Y44-E101 VanDerWaalsContact CZ-CD 3.47Å; Y44-E101 VanDerWaalsContact OH-CG 3.26Å; Y44-E101 WeakPolarHBondContact OH-CG 3.37Å; Y44-E101 PolarHBondContact OH-OE1 3.04Å; Y44-E101 PolarHBondContact OH-OE2 2.93Å; Y44-I102 HydrophobicContact CE1-CG1 3.83Å
45D85.2Confident80.4Confident131 Ų13180.3 Ų80.370%0.70141%0.408SS*.Hα-helixtrans-59.5-37.5177-72.1-20.1000111.7D41D41-D45 PolarHBondContact O-N 3.36Å
46R85Confident81.6Confident213 Ų21385 Ų8580%0.80442%0.421SS*.Hα-helixtrans-73.2-35.1178.3-174.2176.3173.8-169.4-3.6113.2M42 L43 Y44M42-R46 WeakPolarHBondContact O-CB 3.44Å; M42-R46 PolarHBondContact O-N 2.93Å; L43-R46 PolarHBondContact O-N 2.88Å; Y44-R46 PolarHBondContact O-N 2.95Å
47L86.2Confident82.5Confident10 Ų1079.5 Ų79.55%0.05240%0.402CS..Hα-helixtrans-74.5-37.6178.8-68.6178.3000112L43 Y44 T49 D50 K53 W54 T57L43-L47 HydrophobicContact CD2-CD1 3.56Å; L43-L47 HydrophobicContact CD2-CG 4.35Å; L43-L47 HydrophobicContact CG-CD1 4.27Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 2.87Å; Y44-L47 PolarHBondContact O-N 2.82Å; L47-T49 PolarHBondContact O-N 3.05Å; L47-D50 PolarHBondContact O-N 2.84Å; L47-K53 HydrophobicContact CD2-CB 3.8Å; L47-W54 HydrophobicContact CB-CD2 4.17Å; L47-W54 HydrophobicContact CB-CG 4.49Å; L47-W54 HydrophobicContact CB-CZ2 3.9Å; L47-W54 HydrophobicContact CD1-CD2 3.75Å; L47-W54 HydrophobicContact CD1-CE3 3.68Å; L47-W54 HydrophobicContact CD1-CG 4.37Å; L47-W54 HydrophobicContact CD1-CH2 4.01Å; L47-W54 HydrophobicContact CD1-CZ2 4.11Å; L47-W54 HydrophobicContact CD1-CZ3 3.8Å; L47-T57 HydrophobicContact CD1-CG2 4.33Å; L47-T57 WeakPolarHBondContact CD2-OG1 3.48Å
48G87.1Confident83.3Confident39 Ų3975.7 Ų75.740%0.40238%0.382SS..THydrogen-bonded Turntrans56.4-131.6-177.600000111.6Y44 W54Y44-G48 PolarHBondContact O-N 3.42Å; G48-W54 PolarHBondContact O-NE1 3.17Å
49T84.6Confident84Confident118 Ų11877.7 Ų77.772%0.72439%0.389SS*.THydrogen-bonded Turntrans-105.27.8-179.758.70000113.9L47 L51 L109L47-T49 PolarHBondContact O-N 3.05Å; T49-L51 PolarHBondContact O-N 2.95Å; T49-L109 HydrophobicContact CG2-CD2 4.49Å
50D86Confident84.5Confident63 Ų6376.8 Ų76.834%0.33739%0.385SS..  trans-79.899.3-174.4-179.1-25.7000111L47 C52 K53 W54L47-D50 PolarHBondContact O-N 2.84Å; D50-C52 PolarHBondContact O-N 3.36Å; D50-C52 WeakPolarHBondContact OD1-CB 3.39Å; D50-C52 PolarHBondContact OD1-N 3.14Å; D50-K53 HydrophobicContact CB-CB 4.12Å; D50-K53 HydrophobicContact CB-CD 3.87Å; D50-K53 HydrophobicContact CB-CG 4.03Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.12Å; D50-K53 PolarHBondContact OD1-N 3.44Å; D50-K53 VanDerWaalsContact OD1-N 3.07Å; D50-K53 WeakPolarHBondContact OD2-CD 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.17Å; D50-K53 WeakPolarHBondContact OD2-CG 3.1Å; D50-K53 IonicContact OD2-NZ 3.17Å; D50-W54 PolarHBondContact O-N 3.24Å; D50-W54 VanDerWaalsContact O-N 3.08Å
51L85.9Confident84.7Confident44 Ų4476.5 Ų76.523%0.2338%0.381CS..Hα-helixtrans-55-34.3-178.1-72.5173.3000113.2T49 W54 M55 F106 L109 L110 E113T49-L51 PolarHBondContact O-N 2.95Å; L51-W54 PolarHBondContact O-N 2.91Å; L51-M55 WeakPolarHBondContact O-CB 3.22Å; L51-M55 PolarHBondContact O-N 3.27Å; L51-F106 HydrophobicContact CD2-CD2 3.99Å; L51-F106 HydrophobicContact CD2-CE2 3.88Å; L51-L109 HydrophobicContact CD2-CB 3.77Å; L51-L110 HydrophobicContact CD1-CD1 4.2Å; L51-L110 HydrophobicContact CD2-CB 4.27Å; L51-E113 HydrophobicContact CD1-CB 4.13Å; L51-E113 HydrophobicContact CD1-CG 4.24Å
52C87.4Confident84.7Confident67 Ų6778.2 Ų78.245%0.45338%0.383SS..Hα-helixtrans-67.4-39.6178-73.80000111.5D50 M55 R56D50-C52 PolarHBondContact O-N 3.36Å; D50-C52 WeakPolarHBondContact OD1-CB 3.39Å; D50-C52 PolarHBondContact OD1-N 3.14Å; C52-M55 PolarHBondContact O-N 3.17Å; C52-R56 WeakPolarHBondContact O-CB 3.29Å; C52-R56 PolarHBondContact O-N 3.29Å
53K87.5Confident84.7Confident98 Ų9877.4 Ų77.443%0.42638%0.378SS..Hα-helixtrans-64.1-45.6172.3-71.3178.8-169.1161.70111.6L47 D50 M55 R56 T57L47-K53 HydrophobicContact CD2-CB 3.8Å; D50-K53 HydrophobicContact CB-CB 4.12Å; D50-K53 HydrophobicContact CB-CD 3.87Å; D50-K53 HydrophobicContact CB-CG 4.03Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.12Å; D50-K53 PolarHBondContact OD1-N 3.44Å; D50-K53 VanDerWaalsContact OD1-N 3.07Å; D50-K53 WeakPolarHBondContact OD2-CD 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.17Å; D50-K53 WeakPolarHBondContact OD2-CG 3.1Å; D50-K53 IonicContact OD2-NZ 3.17Å; K53-M55 VanDerWaalsContact C-N 3.32Å; K53-M55 PolarHBondContact O-N 3.45Å; K53-R56 PolarHBondContact O-N 3.12Å; K53-T57 PolarHBondContact O-N 2.76Å; K53-T57 PolarHBondContact O-OG1 3.12Å
54W87.7Confident84.4Confident7 Ų777.2 Ų77.23%0.02738%0.38CS..Hα-helixtrans-56.5-46.1176.7-76.995.4000111.8Y44 L47 G48 D50 L51 T57 L58 I102 R105 F106 L109Y44-W54 AromaticContact CD1-CH2 3.72Å; Y44-W54 HydrophobicContact CD1-CH2 3.72Å; Y44-W54 HydrophobicContact CD1-CZ3 4.29Å; Y44-W54 HydrophobicContact CE1-CH2 4.33Å; L47-W54 HydrophobicContact CB-CD2 4.17Å; L47-W54 HydrophobicContact CB-CG 4.49Å; L47-W54 HydrophobicContact CB-CZ2 3.9Å; L47-W54 HydrophobicContact CD1-CD2 3.75Å; L47-W54 HydrophobicContact CD1-CE3 3.68Å; L47-W54 HydrophobicContact CD1-CG 4.37Å; L47-W54 HydrophobicContact CD1-CH2 4.01Å; L47-W54 HydrophobicContact CD1-CZ2 4.11Å; L47-W54 HydrophobicContact CD1-CZ3 3.8Å; G48-W54 PolarHBondContact O-NE1 3.17Å; D50-W54 PolarHBondContact O-N 3.24Å; D50-W54 VanDerWaalsContact O-N 3.08Å; L51-W54 PolarHBondContact O-N 2.91Å; W54-T57 PolarHBondContact O-N 3.19Å; W54-L58 WeakPolarHBondContact O-CG 3.42Å; W54-L58 PolarHBondContact O-N 3.41Å; W54-I102 HydrophobicContact CE3-CB 4.5Å; W54-I102 HydrophobicContact CE3-CG2 3.63Å; W54-I102 HydrophobicContact CZ3-CB 4.16Å; W54-I102 HydrophobicContact CZ3-CG1 4.26Å; W54-I102 HydrophobicContact CZ3-CG2 3.76Å; W54-R105 HydrophobicContact CH2-CB 3.63Å; W54-R105 HydrophobicContact CH2-CG 4.3Å; W54-R105 HydrophobicContact CZ2-CB 4.41Å; W54-R105 HydrophobicContact CZ3-CB 3.68Å; W54-F106 HydrophobicContact CB-CB 4.47Å; W54-F106 HydrophobicContact CB-CD2 3.58Å; W54-F106 HydrophobicContact CB-CE2 4.29Å; W54-F106 HydrophobicContact CB-CG 4.42Å; W54-F106 HydrophobicContact CE3-CB 4.24Å; W54-F106 HydrophobicContact CG-CD2 4.37Å; W54-L109 HydrophobicContact CD2-CD1 4.25Å; W54-L109 HydrophobicContact CG-CD1 4.41Å; W54-L109 HydrophobicContact CZ2-CD1 4.06Å; W54-L109 VanDerWaalsContact NE1-CD1 3.32Å
55M86.7Confident84Confident109 Ų10979.3 Ų79.354%0.53739%0.388SS..Hα-helixtrans-63.3-43.7178.9-168.4-175.3-13.900112.3L51 C52 K53 L58 H59L51-M55 WeakPolarHBondContact O-CB 3.22Å; L51-M55 PolarHBondContact O-N 3.27Å; C52-M55 PolarHBondContact O-N 3.17Å; K53-M55 VanDerWaalsContact C-N 3.32Å; K53-M55 PolarHBondContact O-N 3.45Å; M55-L58 PolarHBondContact O-N 2.96Å; M55-H59 PolarHBondContact O-N 2.81Å
56R87.7Confident83.4Confident165 Ų16576.4 Ų76.462%0.62338%0.382SS*.Hα-helixtrans-61.6-45.8176.2-172.3-178.1-59.8167.33.6111.3C52 K53 L58 H59 E60C52-R56 WeakPolarHBondContact O-CB 3.29Å; C52-R56 PolarHBondContact O-N 3.29Å; K53-R56 PolarHBondContact O-N 3.12Å; R56-L58 PolarHBondContact O-N 3Å; R56-H59 WeakPolarHBondContact O-CB 3.48Å; R56-H59 PolarHBondContact O-N 3.48Å; R56-H59 VanDerWaalsContact O-N 3.12Å; R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 3.28Å
57T84.6Confident82.5Confident20 Ų2070.4 Ų70.412%0.12337%0.37CS..Hα-helixtrans-66-37.8178.8-64.60000112.3L43 L47 K53 W54 H59 E60 I61 I102L43-T57 HydrophobicContact CD1-CG2 4.23Å; L47-T57 HydrophobicContact CD1-CG2 4.33Å; L47-T57 WeakPolarHBondContact CD2-OG1 3.48Å; K53-T57 PolarHBondContact O-N 2.76Å; K53-T57 PolarHBondContact O-OG1 3.12Å; W54-T57 PolarHBondContact O-N 3.19Å; T57-H59 VanDerWaalsContact C-N 3.28Å; T57-H59 PolarHBondContact O-N 3.1Å; T57-E60 PolarHBondContact O-N 3.46Å; T57-I61 HydrophobicContact CG2-CD1 3.98Å; T57-I61 HydrophobicContact CG2-CG1 4.48Å; T57-I61 WeakPolarHBondContact O-CB 3.11Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.34Å; T57-I102 HydrophobicContact CG2-CD1 4.43Å
58L84.8Confident81.5Confident22 Ų2271 Ų7112%0.11537%0.372CS..Hα-helixtrans-59.5-40.3171-80.1171.2000111.9W54 M55 R56 K62 I102 L103 F106W54-L58 WeakPolarHBondContact O-CG 3.42Å; W54-L58 PolarHBondContact O-N 3.41Å; M55-L58 PolarHBondContact O-N 2.96Å; R56-L58 PolarHBondContact O-N 3Å; L58-K62 PolarHBondContact O-N 3.42Å; L58-K62 VanDerWaalsContact O-N 3.09Å; L58-I102 HydrophobicContact CD1-CG2 4.43Å; L58-I102 HydrophobicContact CD2-CB 4.1Å; L58-I102 HydrophobicContact CD2-CG2 3.48Å; L58-I102 VanDerWaalsContact CD2-CG2 3.48Å; L58-I102 HydrophobicContact CG-CG2 3.66Å; L58-L103 HydrophobicContact CD1-CD1 4.37Å; L58-L103 HydrophobicContact CD2-CB 4.33Å; L58-F106 HydrophobicContact CD1-CB 4.01Å; L58-F106 HydrophobicContact CD1-CD1 3.83Å; L58-F106 HydrophobicContact CD1-CD2 4.5Å; L58-F106 HydrophobicContact CD1-CE1 4.46Å; L58-F106 HydrophobicContact CD1-CG 3.85Å
59H85.6Confident80.4Confident113 Ų11375.9 Ų75.952%0.52339%0.389SS..Hα-helixtrans-66.2-46.7175.8-167.376.7000112M55 R56 T57 I61 K62 E63M55-H59 PolarHBondContact O-N 2.81Å; R56-H59 WeakPolarHBondContact O-CB 3.48Å; R56-H59 PolarHBondContact O-N 3.48Å; R56-H59 VanDerWaalsContact O-N 3.12Å; T57-H59 VanDerWaalsContact C-N 3.28Å; T57-H59 PolarHBondContact O-N 3.1Å; H59-I61 VanDerWaalsContact C-N 3.31Å; H59-I61 PolarHBondContact O-N 2.83Å; H59-K62 WeakPolarHBondContact O-CB 3.34Å; H59-K62 PolarHBondContact O-N 3.09Å; H59-K62 VanDerWaalsContact O-N 3.1Å; H59-E63 WeakPolarHBondContact O-CG 3.48Å; H59-E63 PolarHBondContact O-N 3.26Å
60E82.6Confident79.6Confident108 Ų10873.6 Ų73.651%0.50537%0.374SS..Hα-helixtrans-58.5-40.8176.4-71.9168.5-178.200112.1R56 T57 E63 A64R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 3.28Å; T57-E60 PolarHBondContact O-N 3.46Å; E60-E63 PolarHBondContact O-N 2.96Å; E60-A64 VanDerWaalsContact O-CB 3.28Å; E60-A64 WeakPolarHBondContact O-CB 3.25Å; E60-A64 PolarHBondContact O-N 2.84Å
61I78.6Confident78.8Confident12 Ų1276.2 Ų76.26%0.06240%0.398CS..Hα-helixtrans-64.9-41175.9-71.5169.6000111T57 H59 A64 R65 Y95 H99 I102T57-I61 HydrophobicContact CG2-CD1 3.98Å; T57-I61 HydrophobicContact CG2-CG1 4.48Å; T57-I61 WeakPolarHBondContact O-CB 3.11Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.34Å; H59-I61 VanDerWaalsContact C-N 3.31Å; H59-I61 PolarHBondContact O-N 2.83Å; I61-A64 PolarHBondContact O-N 3.29Å; I61-R65 WeakPolarHBondContact O-CG 3.39Å; I61-R65 PolarHBondContact O-N 3.19Å; I61-Y95 HydrophobicContact CG2-CD1 4.17Å; I61-H99 HydrophobicContact CG2-CB 4.08Å; I61-I102 HydrophobicContact CD1-CD1 3.21Å
62K81.6Confident78.4Confident136 Ų13678.8 Ų78.859%0.59141%0.409SS*.Hα-helixtrans-63.6-45.6177.5-175.5-176.4174.1-173.20111.4L58 H59 R65 A66L58-K62 PolarHBondContact O-N 3.42Å; L58-K62 VanDerWaalsContact O-N 3.09Å; H59-K62 WeakPolarHBondContact O-CB 3.34Å; H59-K62 PolarHBondContact O-N 3.09Å; H59-K62 VanDerWaalsContact O-N 3.1Å; K62-R65 PolarHBondContact O-N 2.96Å; K62-A66 PolarHBondContact O-N 2.9Å
63E80.1Confident78.2Confident105 Ų10578.7 Ų78.749%0.49141%0.406SS..Hα-helixtrans-64.5-42.6177-69-62.5115.800111.7H59 E60 R65 A66 T67H59-E63 WeakPolarHBondContact O-CG 3.48Å; H59-E63 PolarHBondContact O-N 3.26Å; E60-E63 PolarHBondContact O-N 2.96Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.41Å; E63-A66 WeakPolarHBondContact O-CB 3.42Å; E63-A66 PolarHBondContact O-N 2.84Å; E63-A66 VanDerWaalsContact O-N 3.15Å; E63-T67 PolarHBondContact O-N 3.18Å; E63-T67 PolarHBondContact O-OG1 2.96Å; E63-T67 VanDerWaalsContact O-OG1 3.05Å
64A75.1Confident78.1Confident24 Ų2481.3 Ų81.320%0.19841%0.413CS..Hα-helixtrans-60.6-39.7175.500000111.9E60 I61 A66 T67 F68 Y95E60-A64 VanDerWaalsContact O-CB 3.28Å; E60-A64 WeakPolarHBondContact O-CB 3.25Å; E60-A64 PolarHBondContact O-N 2.84Å; I61-A64 PolarHBondContact O-N 3.29Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 3.4Å; A64-T67 WeakPolarHBondContact CA-OG1 3.45Å; A64-T67 WeakPolarHBondContact O-CB 3.48Å; A64-T67 PolarHBondContact O-N 2.91Å; A64-T67 VanDerWaalsContact O-N 3.15Å; A64-T67 PolarHBondContact O-OG1 3.44Å; A64-F68 WeakPolarHBondContact O-CD2 3.36Å; A64-F68 PolarHBondContact O-N 3.01Å; A64-Y95 HydrophobicContact CB-CE1 4.21Å
65R73.5Confident77.9Confident62 Ų6284.4 Ų84.423%0.23443%0.427CS..Hα-helixtrans-61.7-39.6175-77.2179.973.4147.86.8112.3I61 K62 E63 T67 F68 D69 F92 D96I61-R65 WeakPolarHBondContact O-CG 3.39Å; I61-R65 PolarHBondContact O-N 3.19Å; K62-R65 PolarHBondContact O-N 2.96Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.41Å; R65-T67 PolarHBondContact O-N 3.48Å; R65-F68 PolarHBondContact O-N 3.22Å; R65-F68 VanDerWaalsContact O-N 3.08Å; R65-D69 PolarHBondContact O-N 3.03Å; R65-D69 VanDerWaalsContact O-N 3.16Å; R65-F92 VanDerWaalsContact NH2-CZ 3.34Å; R65-D96 IonicContact CZ-OD1 3.9Å; R65-D96 IonicContact NH1-OD1 3.23Å; R65-D96 PolarHBondContact NH1-OD1 3.41Å; R65-D96 IonicContact NH2-OD1 2.65Å; R65-D96 PolarHBondContact NH2-OD1 2.98Å
66A72.2Confident77.9Confident69 Ų6984.4 Ų84.457%0.5743%0.426SS*.Hα-helixtrans-61.9-28.7177.200000112.1K62 E63 A64K62-A66 PolarHBondContact O-N 2.9Å; E63-A66 WeakPolarHBondContact O-CB 3.42Å; E63-A66 PolarHBondContact O-N 2.84Å; E63-A66 VanDerWaalsContact O-N 3.15Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 3.4Å
67T67.3Low77.7Confident88 Ų8878 Ų7854%0.5440%0.403SS..Hα-helixtrans-74.6-27.7175.6-4.80000113.1E63 A64 R65E63-T67 PolarHBondContact O-N 3.18Å; E63-T67 PolarHBondContact O-OG1 2.96Å; E63-T67 VanDerWaalsContact O-OG1 3.05Å; A64-T67 WeakPolarHBondContact CA-OG1 3.45Å; A64-T67 WeakPolarHBondContact O-CB 3.48Å; A64-T67 PolarHBondContact O-N 2.91Å; A64-T67 VanDerWaalsContact O-N 3.15Å; A64-T67 PolarHBondContact O-OG1 3.44Å; R65-T67 PolarHBondContact O-N 3.48Å
68F65.5Low77.6Confident23 Ų2380.4 Ų80.410%0.10143%0.431CS..Hα-helixtrans-88.2-12.1177.5-74.1-73.2000114.4Y32 A64 R65 T70 Q88 V91 Y95Y32-F68 AromaticContact CD1-CE1 3.83Å; Y32-F68 HydrophobicContact CD1-CE1 3.83Å; Y32-F68 HydrophobicContact CD1-CE2 4.22Å; Y32-F68 AromaticContact CD1-CZ 3.27Å; Y32-F68 HydrophobicContact CD1-CZ 3.27Å; Y32-F68 AromaticContact CD2-CE1 3.89Å; Y32-F68 HydrophobicContact CD2-CE1 3.89Å; Y32-F68 HydrophobicContact CD2-CZ 4.2Å; Y32-F68 HydrophobicContact CE1-CE1 4.2Å; Y32-F68 HydrophobicContact CE1-CE2 4.44Å; Y32-F68 AromaticContact CE1-CZ 3.75Å; Y32-F68 HydrophobicContact CE1-CZ 3.75Å; Y32-F68 HydrophobicContact CE2-CE1 4.3Å; Y32-F68 AromaticContact CG-CE1 3.67Å; Y32-F68 HydrophobicContact CG-CE1 3.67Å; Y32-F68 AromaticContact CG-CZ 3.54Å; Y32-F68 HydrophobicContact CG-CZ 3.54Å; A64-F68 WeakPolarHBondContact O-CD2 3.36Å; A64-F68 PolarHBondContact O-N 3.01Å; R65-F68 PolarHBondContact O-N 3.22Å; R65-F68 VanDerWaalsContact O-N 3.08Å; F68-T70 PolarHBondContact O-N 3.18Å; F68-Q88 PolarHBondContact O-NE2 3.08Å; F68-V91 HydrophobicContact CD1-CG1 4.25Å; F68-V91 HydrophobicContact CE1-CG1 3.92Å; F68-V91 HydrophobicContact CE2-CG1 4.27Å; F68-V91 HydrophobicContact CZ-CG1 3.92Å; F68-Y95 HydrophobicContact CD2-CE2 4.17Å; F68-Y95 HydrophobicContact CE2-CD2 4.35Å; F68-Y95 AromaticContact CE2-CE2 3.56Å; F68-Y95 HydrophobicContact CE2-CE2 3.56Å; F68-Y95 AromaticContact CE2-CZ 3.96Å; F68-Y95 HydrophobicContact CZ-CE2 4.16Å
69D63.2Low77.5Confident141 Ų14187.9 Ų87.975%0.75447%0.47SS*.  trans-75.336.1177.6-156.814.8000112.4R65R65-D69 PolarHBondContact O-N 3.03Å; R65-D69 VanDerWaalsContact O-N 3.16Å
70T67.6Low77.4Confident69 Ų6985.2 Ų85.242%0.42346%0.461SS..  trans-80.5125.9168.159.90000108.4F68 E72 Q88F68-T70 PolarHBondContact O-N 3.18Å; T70-E72 PolarHBondContact O-N 3.08Å; T70-Q88 PolarHBondContact O-NE2 3.34Å
71S69.2Low77.6Confident119 Ų11984.8 Ų84.883%0.83246%0.462SS*.  trans-68.3-15.117756.50000113.9T73S71-T73 PolarHBondContact O-N 3.34Å
72E78.9Confident77.9Confident98 Ų9885.8 Ų85.846%0.45847%0.467SS..  trans-63.3123.4173.3-67.6-172.4-167.900109.2T70 K75 F84T70-E72 PolarHBondContact O-N 3.08Å; E72-K75 IonicContact OE1-NZ 3.99Å; E72-K75 IonicContact OE2-NZ 3.48Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; E72-F84 HydrophobicContact CB-CZ 4.16Å; E72-F84 WeakPolarHBondContact O-CE2 3.42Å; E72-F84 WeakPolarHBondContact O-CZ 3.15Å
73T82Confident78Confident64 Ų6484.7 Ų84.739%0.39347%0.467SS..  trans-110.8-8.3173.445.90000112.3S71 F84 A85S71-T73 PolarHBondContact O-N 3.34Å; T73-F84 PolarHBondContact O-N 3.48Å; T73-A85 HydrophobicContact CG2-CB 4.07Å; T73-A85 PolarHBondContact O-N 2.69Å
74R84.6Confident78Confident153 Ų15380 Ų8058%0.57745%0.446SS*.EExtended strand (participates in β ladder)trans-141.5143.5-179.961.9-180174.8-173.9-0.4110.4E76 I81 I82R74-E76 IonicContact CZ-OE1 2.76Å; R74-E76 IonicContact NE-OE1 3.12Å; R74-I81 HydrophobicContact CB-CG2 4.25Å; R74-I82 CarbonylContact C-O 3.57Å; R74-I82 WeakPolarHBondContact CA-O 3.44Å
75K84.7Confident78.4Confident72 Ų7280.2 Ų80.231%0.31345%0.447SS..EExtended strand (participates in β ladder)trans-119.2123.3169.5-164.261.7162.6-170.40110Y25 E72 F77 I82 F84Y25-K75 HydrophobicContact CD1-CB 4.38Å; Y25-K75 HydrophobicContact CD2-CG 4.41Å; Y25-K75 HydrophobicContact CE1-CB 3.7Å; Y25-K75 HydrophobicContact CE1-CG 4.25Å; Y25-K75 HydrophobicContact CE2-CB 4.27Å; Y25-K75 HydrophobicContact CE2-CG 4.04Å; E72-K75 IonicContact OE1-NZ 3.99Å; E72-K75 IonicContact OE2-NZ 3.48Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; K75-F77 HydrophobicContact CB-CE2 4Å; K75-F77 HydrophobicContact CG-CD2 4.3Å; K75-F77 HydrophobicContact CG-CE2 3.56Å; K75-F77 HydrophobicContact CG-CZ 3.79Å; K75-I82 PolarHBondContact N-O 3.43Å; K75-I82 PolarHBondContact O-N 2.8Å; K75-F84 HydrophobicContact CB-CE1 4.2Å
76E86Confident78.9Confident110 Ų11085.3 Ų85.351%0.51447%0.471SS..EExtended strand (participates in β ladder)trans-96.5123.5178.9-60.2-175.5-176.200110R74 I81R74-E76 IonicContact CZ-OE1 2.76Å; R74-E76 IonicContact NE-OE1 3.12Å; E76-I81 HydrophobicContact CG-CG1 4.15Å; E76-I81 HydrophobicContact CG-CG2 4.27Å
77F83.6Confident79.1Confident31 Ų3185.7 Ų85.714%0.13647%0.466CS..EExtended strand (participates in β ladder)trans-113.689.4166.1-60.6-91.2000106.1F18 K21 V22 Y25 K75 L79 V80 I82F18-F77 HydrophobicContact CD2-CB 4.29Å; F18-F77 VanDerWaalsContact CE2-C 3.42Å; F18-F77 HydrophobicContact CE2-CB 3.45Å; F18-F77 VanDerWaalsContact CE2-CB 3.45Å; F18-F77 WeakPolarHBondContact CE2-O 3.48Å; F18-F77 HydrophobicContact CZ-CB 3.73Å; F18-F77 WeakPolarHBondContact CZ-O 3.41Å; K21-F77 HydrophobicContact CB-CD1 4.13Å; K21-F77 HydrophobicContact CB-CE1 3.98Å; V22-F77 HydrophobicContact CG2-CB 4Å; V22-F77 HydrophobicContact CG2-CD1 4.23Å; V22-F77 HydrophobicContact CG2-CD2 3.99Å; V22-F77 HydrophobicContact CG2-CG 3.82Å; Y25-F77 HydrophobicContact CD1-CE2 4.12Å; Y25-F77 HydrophobicContact CD1-CZ 4.3Å; Y25-F77 HydrophobicContact CD2-CZ 4.21Å; Y25-F77 HydrophobicContact CG-CE2 4.08Å; Y25-F77 AromaticContact CG-CZ 3.79Å; Y25-F77 HydrophobicContact CG-CZ 3.79Å; K75-F77 HydrophobicContact CB-CE2 4Å; K75-F77 HydrophobicContact CG-CD2 4.3Å; K75-F77 HydrophobicContact CG-CE2 3.56Å; K75-F77 HydrophobicContact CG-CZ 3.79Å; F77-L79 PolarHBondContact O-N 3Å; F77-V80 CarbonylContact C-O 3.49Å; F77-V80 WeakPolarHBondContact CA-O 3.3Å; F77-V80 HydrophobicContact CB-CB 4.45Å; F77-V80 PolarHBondContact N-O 3.42Å; F77-V80 PolarHBondContact O-N 3.47Å; F77-I82 HydrophobicContact CD2-CD1 4.2Å; F77-I82 HydrophobicContact CD2-CG1 4.43Å; F77-I82 HydrophobicContact CE2-CD1 3.8Å; F77-I82 HydrophobicContact CE2-CG1 4.38Å
78G82.7Confident79.6Confident70 Ų7083 Ų8372%0.72245%0.447SS*.THydrogen-bonded Turntrans53.9-114.3179.800000112.7
79L83.2Confident80.4Confident179 Ų17985.1 Ų85.194%0.93747%0.465SS*.THydrogen-bonded Turntrans-83-10.3177.5-61.5175.1000114.2F77F77-L79 PolarHBondContact O-N 3Å
80V84.1Confident81.2Confident56 Ų5685.2 Ų85.234%0.33946%0.459SS..EExtended strand (participates in β ladder)trans-98.3121.1178176.50000109.4F18 V22 F77 I82F18-V80 HydrophobicContact CE1-CB 4.04Å; F18-V80 HydrophobicContact CE1-CG2 3.5Å; F18-V80 HydrophobicContact CZ-CB 3.64Å; F18-V80 HydrophobicContact CZ-CG2 3.51Å; V22-V80 HydrophobicContact CG2-CG1 4.44Å; F77-V80 CarbonylContact C-O 3.49Å; F77-V80 WeakPolarHBondContact CA-O 3.3Å; F77-V80 HydrophobicContact CB-CB 4.45Å; F77-V80 PolarHBondContact N-O 3.42Å; F77-V80 PolarHBondContact O-N 3.47Å; V80-I82 HydrophobicContact CG1-CG1 4.46Å
81I86.5Confident81.6Confident100 Ų10082.6 Ų82.651%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-110.1120.7175.1-53.4-179.5000107.4R74 E76R74-I81 HydrophobicContact CB-CG2 4.25Å; E76-I81 HydrophobicContact CG-CG1 4.15Å; E76-I81 HydrophobicContact CG-CG2 4.27Å
82I84Confident82.1Confident33 Ų3382 Ų8217%0.16943%0.425CS..EExtended strand (participates in β ladder)trans-94.6106.8169.5-60.8-179.1000107.3V22 Y25 V26 R74 K75 F77 V80 F84V22-I82 HydrophobicContact CG1-CD1 4.2Å; Y25-I82 HydrophobicContact CD1-CD1 3.69Å; Y25-I82 HydrophobicContact CD1-CG2 4.41Å; Y25-I82 HydrophobicContact CE1-CB 4.49Å; Y25-I82 HydrophobicContact CE1-CD1 4.38Å; Y25-I82 HydrophobicContact CE1-CG2 4.19Å; V26-I82 HydrophobicContact CG2-CD1 3.84Å; R74-I82 CarbonylContact C-O 3.57Å; R74-I82 WeakPolarHBondContact CA-O 3.44Å; K75-I82 PolarHBondContact N-O 3.43Å; K75-I82 PolarHBondContact O-N 2.8Å; F77-I82 HydrophobicContact CD2-CD1 4.2Å; F77-I82 HydrophobicContact CD2-CG1 4.43Å; F77-I82 HydrophobicContact CE2-CD1 3.8Å; F77-I82 HydrophobicContact CE2-CG1 4.38Å; V80-I82 HydrophobicContact CG1-CG1 4.46Å; I82-F84 HydrophobicContact CG2-CD1 4.27Å
83D84.3Confident82.2Confident112 Ų11282.8 Ų82.860%0.59943%0.432SS*.EExtended strand (participates in β ladder)trans-89.4120.2168179.9-7.4000109.2A85D83-A85 VanDerWaalsContact OD1-CB 3.23Å; D83-A85 WeakPolarHBondContact OD1-CB 3.41Å; D83-A85 PolarHBondContact OD1-N 2.96Å
84F80Confident82.2Confident8 Ų883.2 Ų83.24%0.03543%0.429CS..  trans-120.411.5179.355.3-95.6000112.4Y25 W29 E72 T73 K75 I82 K86 V87 Q88Y25-F84 HydrophobicContact CE1-CD1 4.2Å; Y25-F84 HydrophobicContact CE1-CE1 4.2Å; Y25-F84 WeakPolarHBondContact OH-CE1 3.36Å; Y25-F84 WeakPolarHBondContact OH-CZ 3.47Å; W29-F84 HydrophobicContact CD2-CB 4.41Å; W29-F84 AromaticContact CE2-CD2 3.84Å; W29-F84 AromaticContact CE2-CG 3.79Å; W29-F84 HydrophobicContact CH2-CB 4.23Å; W29-F84 AromaticContact CH2-CD2 3.29Å; W29-F84 HydrophobicContact CH2-CD2 3.29Å; W29-F84 AromaticContact CH2-CE2 3.78Å; W29-F84 HydrophobicContact CH2-CE2 3.78Å; W29-F84 AromaticContact CH2-CG 3.96Å; W29-F84 HydrophobicContact CH2-CG 3.96Å; W29-F84 HydrophobicContact CZ2-CB 4.07Å; W29-F84 HydrophobicContact CZ2-CD1 4.13Å; W29-F84 AromaticContact CZ2-CD2 3.04Å; W29-F84 HydrophobicContact CZ2-CD2 3.04Å; W29-F84 HydrophobicContact CZ2-CE1 4.34Å; W29-F84 AromaticContact CZ2-CE2 3.27Å; W29-F84 HydrophobicContact CZ2-CE2 3.27Å; W29-F84 AromaticContact CZ2-CG 3.49Å; W29-F84 HydrophobicContact CZ2-CG 3.49Å; W29-F84 VanDerWaalsContact CZ2-CG 3.49Å; W29-F84 AromaticContact CZ2-CZ 3.94Å; W29-F84 HydrophobicContact CZ2-CZ 3.94Å; W29-F84 HydrophobicContact CZ3-CB 4.46Å; W29-F84 HydrophobicContact CZ3-CD2 4.26Å; E72-F84 HydrophobicContact CB-CZ 4.16Å; E72-F84 WeakPolarHBondContact O-CE2 3.42Å; E72-F84 WeakPolarHBondContact O-CZ 3.15Å; T73-F84 PolarHBondContact O-N 3.48Å; K75-F84 HydrophobicContact CB-CE1 4.2Å; I82-F84 HydrophobicContact CG2-CD1 4.27Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.31Å; F84-V87 PolarHBondContact O-N 3.29Å; F84-V87 VanDerWaalsContact O-N 3.09Å; F84-Q88 HydrophobicContact CD2-CB 4.38Å; F84-Q88 WeakPolarHBondContact O-CB 3.45Å; F84-Q88 PolarHBondContact O-N 2.91Å
85A84.1Confident82Confident27 Ų2776.6 Ų76.622%0.22340%0.404CS..Hα-helixtrans-54.6-42.7-17800000112.9T73 D83 S89T73-A85 HydrophobicContact CG2-CB 4.07Å; T73-A85 PolarHBondContact O-N 2.69Å; D83-A85 VanDerWaalsContact OD1-CB 3.23Å; D83-A85 WeakPolarHBondContact OD1-CB 3.41Å; D83-A85 PolarHBondContact OD1-N 2.96Å; A85-S89 WeakPolarHBondContact O-CB 2.95Å; A85-S89 PolarHBondContact O-N 3.41Å; A85-S89 PolarHBondContact O-OG 3Å
86K83Confident81.9Confident169 Ų16974.8 Ų74.874%0.73540%0.397SS*.Hα-helixtrans-67.6-41.1179.7-69-179-178.2173.10111.9F84 K90F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.31Å; K86-K90 WeakPolarHBondContact O-CG 3.23Å; K86-K90 PolarHBondContact O-N 3.31Å; K86-K90 VanDerWaalsContact O-N 3.13Å
87V76.7Confident81.8Confident78 Ų7872.6 Ų72.647%0.47339%0.394SS..Hα-helixtrans-69.6-47.2179.41790000109.4W29 F84 S89 K90 V91W29-V87 HydrophobicContact CE3-CG1 4.27Å; W29-V87 HydrophobicContact CZ3-CG1 4.28Å; F84-V87 PolarHBondContact O-N 3.29Å; F84-V87 VanDerWaalsContact O-N 3.09Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.15Å; V87-K90 PolarHBondContact O-N 3.05Å; V87-K90 VanDerWaalsContact O-N 3.12Å; V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.44Å; V87-V91 PolarHBondContact O-N 3.39Å
88Q76.9Confident81.8Confident30 Ų3071.7 Ų71.714%0.1439%0.39CS..Hα-helixtrans-53.8-48.9174.5-172.4-176.721.800111.5W29 F68 T70 F84 K90 V91 F92W29-Q88 HydrophobicContact CH2-CB 4.23Å; F68-Q88 PolarHBondContact O-NE2 3.08Å; T70-Q88 PolarHBondContact O-NE2 3.34Å; F84-Q88 HydrophobicContact CD2-CB 4.38Å; F84-Q88 WeakPolarHBondContact O-CB 3.45Å; F84-Q88 PolarHBondContact O-N 2.91Å; Q88-K90 VanDerWaalsContact C-N 3.33Å; Q88-K90 PolarHBondContact O-N 3.07Å; Q88-V91 PolarHBondContact O-N 3.5Å; Q88-F92 VanDerWaalsContact O-CB 3.32Å; Q88-F92 WeakPolarHBondContact O-CB 3.33Å; Q88-F92 PolarHBondContact O-N 3.16Å
89S82.7Confident81.8Confident69 Ų6970.8 Ų70.848%0.48337%0.367SS..Hα-helixtrans-58.7-43.1177.8-61.80000112.1A85 V87 L93A85-S89 WeakPolarHBondContact O-CB 2.95Å; A85-S89 PolarHBondContact O-N 3.41Å; A85-S89 PolarHBondContact O-OG 3Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.15Å; S89-L93 VanDerWaalsContact O-CG 3.28Å; S89-L93 WeakPolarHBondContact O-CG 3.49Å; S89-L93 PolarHBondContact O-N 2.94Å
90K80.1Confident82Confident142 Ų14268.4 Ų68.462%0.61735%0.349SS*.Hα-helixtrans-66.9-43.2177.1-75.3-178.9177.2-173.20112.6K86 V87 Q88 L93 K94K86-K90 WeakPolarHBondContact O-CG 3.23Å; K86-K90 PolarHBondContact O-N 3.31Å; K86-K90 VanDerWaalsContact O-N 3.13Å; V87-K90 PolarHBondContact O-N 3.05Å; V87-K90 VanDerWaalsContact O-N 3.12Å; Q88-K90 VanDerWaalsContact C-N 3.33Å; Q88-K90 PolarHBondContact O-N 3.07Å; K90-L93 PolarHBondContact O-N 3.03Å; K90-K94 PolarHBondContact O-N 3.24Å
91V76.9Confident82.2Confident14 Ų1468.4 Ų68.49%0.08535%0.345CS..Hα-helixtrans-60.9-47.3176.6169.70000109.7F68 V87 Q88 L93 K94 Y95F68-V91 HydrophobicContact CD1-CG1 4.25Å; F68-V91 HydrophobicContact CE1-CG1 3.92Å; F68-V91 HydrophobicContact CE2-CG1 4.27Å; F68-V91 HydrophobicContact CZ-CG1 3.92Å; V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.44Å; V87-V91 PolarHBondContact O-N 3.39Å; Q88-V91 PolarHBondContact O-N 3.5Å; V91-L93 PolarHBondContact O-N 3.36Å; V91-K94 PolarHBondContact O-N 2.93Å; V91-K94 VanDerWaalsContact O-N 3.17Å; V91-Y95 HydrophobicContact CG1-CD2 3.62Å; V91-Y95 HydrophobicContact CG1-CE2 3.7Å; V91-Y95 WeakPolarHBondContact O-CD2 3.21Å; V91-Y95 PolarHBondContact O-N 3.24Å
92F78.4Confident82.2Confident106 Ų10663.6 Ų63.647%0.46532%0.32SS..Hα-helixtrans-56.6-48.6176.4-178.5-92.1000112R65 Q88 K94 Y95 D96R65-F92 VanDerWaalsContact NH2-CZ 3.34Å; Q88-F92 VanDerWaalsContact O-CB 3.32Å; Q88-F92 WeakPolarHBondContact O-CB 3.33Å; Q88-F92 PolarHBondContact O-N 3.16Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.27Å; F92-Y95 PolarHBondContact O-N 3.41Å; F92-D96 WeakPolarHBondContact O-CB 3.28Å; F92-D96 PolarHBondContact O-N 2.97Å
93L82.3Confident82.4Confident115 Ų11566.1 Ų66.160%0.60233%0.334SS*.Hα-helixtrans-61.7-38.7177.5-72.2171.5000112.6S89 K90 V91 D96 S97S89-L93 VanDerWaalsContact O-CG 3.28Å; S89-L93 WeakPolarHBondContact O-CG 3.49Å; S89-L93 PolarHBondContact O-N 2.94Å; K90-L93 PolarHBondContact O-N 3.03Å; V91-L93 PolarHBondContact O-N 3.36Å; L93-D96 PolarHBondContact O-N 3.17Å; L93-S97 WeakPolarHBondContact O-CB 3.18Å; L93-S97 PolarHBondContact O-N 2.83Å
94K80.7Confident82.7Confident74 Ų7467.6 Ų67.632%0.32234%0.337SS..Hα-helixtrans-65.7-48177.3-172.368171.6-178.30111.3K90 V91 F92 D96 S97 W98K90-K94 PolarHBondContact O-N 3.24Å; V91-K94 PolarHBondContact O-N 2.93Å; V91-K94 VanDerWaalsContact O-N 3.17Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.27Å; K94-D96 VanDerWaalsContact C-N 3.28Å; K94-D96 PolarHBondContact O-N 3.03Å; K94-S97 WeakPolarHBondContact O-CB 3.06Å; K94-S97 PolarHBondContact O-N 2.92Å; K94-W98 HydrophobicContact CD-CZ2 4.34Å; K94-W98 HydrophobicContact CG-CZ2 4.23Å; K94-W98 PolarHBondContact O-N 3.37Å
95Y80.2Confident83.1Confident14 Ų1472.2 Ų72.26%0.05535%0.354CS..Hα-helixtrans-60.2-39.1174.7-90.8-75.2000112.2L35 I61 A64 F68 V91 F92 W98 H99L35-Y95 WeakPolarHBondContact CD1-OH 3.48Å; I61-Y95 HydrophobicContact CG2-CD1 4.17Å; A64-Y95 HydrophobicContact CB-CE1 4.21Å; F68-Y95 HydrophobicContact CD2-CE2 4.17Å; F68-Y95 HydrophobicContact CE2-CD2 4.35Å; F68-Y95 AromaticContact CE2-CE2 3.56Å; F68-Y95 HydrophobicContact CE2-CE2 3.56Å; F68-Y95 AromaticContact CE2-CZ 3.96Å; F68-Y95 HydrophobicContact CZ-CE2 4.16Å; V91-Y95 HydrophobicContact CG1-CD2 3.62Å; V91-Y95 HydrophobicContact CG1-CE2 3.7Å; V91-Y95 WeakPolarHBondContact O-CD2 3.21Å; V91-Y95 PolarHBondContact O-N 3.24Å; F92-Y95 PolarHBondContact O-N 3.41Å; Y95-W98 PolarHBondContact O-N 3.42Å; Y95-H99 WeakPolarHBondContact O-CB 3.43Å; Y95-H99 PolarHBondContact O-N 2.92Å
96D82.7Confident83.4Confident33 Ų3372.5 Ų72.518%0.17635%0.351CS..Hα-helixtrans-65.2-42.5176.8-164.866.1000112R65 F92 L93 K94 H99 K100R65-D96 IonicContact CZ-OD1 3.9Å; R65-D96 IonicContact NH1-OD1 3.23Å; R65-D96 PolarHBondContact NH1-OD1 3.41Å; R65-D96 IonicContact NH2-OD1 2.65Å; R65-D96 PolarHBondContact NH2-OD1 2.98Å; F92-D96 WeakPolarHBondContact O-CB 3.28Å; F92-D96 PolarHBondContact O-N 2.97Å; L93-D96 PolarHBondContact O-N 3.17Å; K94-D96 VanDerWaalsContact C-N 3.28Å; K94-D96 PolarHBondContact O-N 3.03Å; D96-H99 PolarHBondContact O-N 3.49Å; D96-K100 WeakPolarHBondContact O-CB 3.48Å; D96-K100 WeakPolarHBondContact O-CG 3.28Å; D96-K100 PolarHBondContact O-N 3.04Å; D96-K100 WeakPolarHBondContact OD2-CE 3.38Å; D96-K100 IonicContact OD2-NZ 3.97Å; D96-K100 PolarHBondContact OD2-NZ 3.42Å
97S85Confident83.8Confident64 Ų6466.3 Ų66.345%0.44834%0.335SS..Hα-helixtrans-59.4-47.9173.8-171.30000111.7L93 K94 K100 E101L93-S97 WeakPolarHBondContact O-CB 3.18Å; L93-S97 PolarHBondContact O-N 2.83Å; K94-S97 WeakPolarHBondContact O-CB 3.06Å; K94-S97 PolarHBondContact O-N 2.92Å; S97-K100 PolarHBondContact O-N 3.45Å; S97-E101 WeakPolarHBondContact O-CB 3.4Å; S97-E101 PolarHBondContact O-N 2.88Å
98W82.6Confident84.6Confident13 Ų1367.2 Ų67.25%0.04934%0.34CS..Hα-helixtrans-66.1-43.4178.4-74.1-6.4000112.9L35 L38 K94 Y95 K100 E101 I102L35-W98 WeakPolarHBondContact O-CH2 3.45Å; L35-W98 WeakPolarHBondContact O-CZ3 3.45Å; L38-W98 HydrophobicContact CB-CH2 3.75Å; L38-W98 HydrophobicContact CB-CZ3 4.42Å; L38-W98 HydrophobicContact CD2-CH2 4.06Å; L38-W98 HydrophobicContact CD2-CZ3 4.01Å; L38-W98 HydrophobicContact CG-CH2 4.29Å; L38-W98 VanDerWaalsContact O-CH2 3.23Å; L38-W98 WeakPolarHBondContact O-CH2 3.31Å; L38-W98 WeakPolarHBondContact O-CZ2 3.37Å; K94-W98 HydrophobicContact CD-CZ2 4.34Å; K94-W98 HydrophobicContact CG-CZ2 4.23Å; K94-W98 PolarHBondContact O-N 3.37Å; Y95-W98 PolarHBondContact O-N 3.42Å; W98-K100 VanDerWaalsContact C-N 3.31Å; W98-K100 PolarHBondContact O-N 3.09Å; W98-E101 PolarHBondContact O-N 3.42Å; W98-I102 HydrophobicContact CB-CD1 4.28Å; W98-I102 VanDerWaalsContact O-CB 3.25Å; W98-I102 WeakPolarHBondContact O-CB 3.33Å; W98-I102 WeakPolarHBondContact O-CD1 3.42Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.39Å
99H83.2Confident85.3Confident50 Ų5068 Ų6823%0.23135%0.346CS..Hα-helixtrans-58-46.8176.9-179.3-88000110.7I61 Y95 D96 L103I61-H99 HydrophobicContact CG2-CB 4.08Å; Y95-H99 WeakPolarHBondContact O-CB 3.43Å; Y95-H99 PolarHBondContact O-N 2.92Å; D96-H99 PolarHBondContact O-N 3.49Å; H99-L103 WeakPolarHBondContact O-CB 3.27Å; H99-L103 PolarHBondContact O-N 3.48Å
100K88.2Confident85.7Confident130 Ų13067.4 Ų67.457%0.56534%0.336SS*.Hα-helixtrans-59.6-48.3176.4-77.9170.1173.5160.80112.2D96 S97 W98 L103 Q104D96-K100 WeakPolarHBondContact O-CB 3.48Å; D96-K100 WeakPolarHBondContact O-CG 3.28Å; D96-K100 PolarHBondContact O-N 3.04Å; D96-K100 WeakPolarHBondContact OD2-CE 3.38Å; D96-K100 IonicContact OD2-NZ 3.97Å; D96-K100 PolarHBondContact OD2-NZ 3.42Å; S97-K100 PolarHBondContact O-N 3.45Å; W98-K100 VanDerWaalsContact C-N 3.31Å; W98-K100 PolarHBondContact O-N 3.09Å; K100-L103 PolarHBondContact O-N 2.96Å; K100-Q104 WeakPolarHBondContact O-CB 3.46Å; K100-Q104 PolarHBondContact O-N 3.37Å
101E86.9Confident86.4Confident55 Ų5562.4 Ų62.426%0.25733%0.326SS..Hα-helixtrans-67.9-43.7-177.8-171.7173.6169.600112.2Y44 S97 W98 L103 Q104 R105Y44-E101 HydrophobicContact CE2-CG 4.46Å; Y44-E101 WeakPolarHBondContact CE2-OE1 3.39Å; Y44-E101 VanDerWaalsContact CZ-CD 3.47Å; Y44-E101 VanDerWaalsContact OH-CG 3.26Å; Y44-E101 WeakPolarHBondContact OH-CG 3.37Å; Y44-E101 PolarHBondContact OH-OE1 3.04Å; Y44-E101 PolarHBondContact OH-OE2 2.93Å; S97-E101 WeakPolarHBondContact O-CB 3.4Å; S97-E101 PolarHBondContact O-N 2.88Å; W98-E101 PolarHBondContact O-N 3.42Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.5Å; E101-Q104 PolarHBondContact O-N 2.83Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 IonicContact OE1-CZ 2.75Å; E101-R105 IonicContact OE1-NE 2.85Å; E101-R105 PolarHBondContact OE1-NE 3.41Å; E101-R105 VanDerWaalsContact OE1-NE 3.12Å; E101-R105 IonicContact OE1-NH2 2.74Å; E101-R105 PolarHBondContact OE1-NH2 2.87Å
102I86.7Confident87.1Confident0 Ų064.5 Ų64.50%034%0.341CS..Hα-helixtrans-63.5-43177.7-68.3165.7000110.2L43 Y44 W54 T57 L58 I61 W98 Q104 R105 F106L43-I102 HydrophobicContact CD2-CD1 3.62Å; L43-I102 HydrophobicContact CD2-CG1 3.97Å; Y44-I102 HydrophobicContact CE1-CG1 3.83Å; W54-I102 HydrophobicContact CE3-CB 4.5Å; W54-I102 HydrophobicContact CE3-CG2 3.63Å; W54-I102 HydrophobicContact CZ3-CB 4.16Å; W54-I102 HydrophobicContact CZ3-CG1 4.26Å; W54-I102 HydrophobicContact CZ3-CG2 3.76Å; T57-I102 HydrophobicContact CG2-CD1 4.43Å; L58-I102 HydrophobicContact CD1-CG2 4.43Å; L58-I102 HydrophobicContact CD2-CB 4.1Å; L58-I102 HydrophobicContact CD2-CG2 3.48Å; L58-I102 VanDerWaalsContact CD2-CG2 3.48Å; L58-I102 HydrophobicContact CG-CG2 3.66Å; I61-I102 HydrophobicContact CD1-CD1 3.21Å; W98-I102 HydrophobicContact CB-CD1 4.28Å; W98-I102 VanDerWaalsContact O-CB 3.25Å; W98-I102 WeakPolarHBondContact O-CB 3.33Å; W98-I102 WeakPolarHBondContact O-CD1 3.42Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.39Å; I102-Q104 VanDerWaalsContact C-N 3.35Å; I102-Q104 PolarHBondContact O-N 3.37Å; I102-R105 PolarHBondContact O-N 2.89Å; I102-F106 WeakPolarHBondContact O-CB 3.32Å; I102-F106 PolarHBondContact O-N 3.12Å
103L88.2Confident87.6Confident86 Ų8663.7 Ų63.745%0.4534%0.338SS..Hα-helixtrans-62.2-42.3176.6-177.763.5000111.6L58 H99 K100 E101 G107L58-L103 HydrophobicContact CD1-CD1 4.37Å; L58-L103 HydrophobicContact CD2-CB 4.33Å; H99-L103 WeakPolarHBondContact O-CB 3.27Å; H99-L103 PolarHBondContact O-N 3.48Å; K100-L103 PolarHBondContact O-N 2.96Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.5Å; L103-G107 PolarHBondContact O-N 3.05Å
104Q91.2Very high88.1Confident143 Ų14363.7 Ų63.767%0.66834%0.337SS*.Hα-helixtrans-63.7-45.7177.6-177.3177.3-600112.2K100 E101 I102 G107 T108K100-Q104 WeakPolarHBondContact O-CB 3.46Å; K100-Q104 PolarHBondContact O-N 3.37Å; E101-Q104 PolarHBondContact O-N 2.83Å; I102-Q104 VanDerWaalsContact C-N 3.35Å; I102-Q104 PolarHBondContact O-N 3.37Å; Q104-G107 PolarHBondContact O-N 3.37Å; Q104-T108 PolarHBondContact O-N 2.93Å; Q104-T108 PolarHBondContact O-OG1 3.38Å
105R89.3Confident88.8Confident104 Ų10466.1 Ų66.139%0.39235%0.349SS..Hα-helixtrans-65.2-45.5176.9-70.4177.6-175-99.76.1111.4W54 E101 I102 G107 T108 L109W54-R105 HydrophobicContact CH2-CB 3.63Å; W54-R105 HydrophobicContact CH2-CG 4.3Å; W54-R105 HydrophobicContact CZ2-CB 4.41Å; W54-R105 HydrophobicContact CZ3-CB 3.68Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 IonicContact OE1-CZ 2.75Å; E101-R105 IonicContact OE1-NE 2.85Å; E101-R105 PolarHBondContact OE1-NE 3.41Å; E101-R105 VanDerWaalsContact OE1-NE 3.12Å; E101-R105 IonicContact OE1-NH2 2.74Å; E101-R105 PolarHBondContact OE1-NH2 2.87Å; I102-R105 PolarHBondContact O-N 2.89Å; R105-G107 VanDerWaalsContact C-N 3.35Å; R105-G107 PolarHBondContact O-N 3.45Å; R105-T108 WeakPolarHBondContact O-CB 3.07Å; R105-T108 PolarHBondContact O-N 3.34Å; R105-L109 WeakPolarHBondContact O-CG 3.39Å; R105-L109 PolarHBondContact O-N 3.12Å
106F89.7Confident89.4Confident34 Ų3470.6 Ų70.615%0.14937%0.369CS..Hα-helixtrans-56.9-47.7173.9173.7-106.1000111.3L51 W54 L58 I102 T108 L109 L110L51-F106 HydrophobicContact CD2-CD2 3.99Å; L51-F106 HydrophobicContact CD2-CE2 3.88Å; W54-F106 HydrophobicContact CB-CB 4.47Å; W54-F106 HydrophobicContact CB-CD2 3.58Å; W54-F106 HydrophobicContact CB-CE2 4.29Å; W54-F106 HydrophobicContact CB-CG 4.42Å; W54-F106 HydrophobicContact CE3-CB 4.24Å; W54-F106 HydrophobicContact CG-CD2 4.37Å; L58-F106 HydrophobicContact CD1-CB 4.01Å; L58-F106 HydrophobicContact CD1-CD1 3.83Å; L58-F106 HydrophobicContact CD1-CD2 4.5Å; L58-F106 HydrophobicContact CD1-CE1 4.46Å; L58-F106 HydrophobicContact CD1-CG 3.85Å; I102-F106 WeakPolarHBondContact O-CB 3.32Å; I102-F106 PolarHBondContact O-N 3.12Å; F106-T108 VanDerWaalsContact C-N 3.28Å; F106-T108 PolarHBondContact O-N 3.13Å; F106-L109 PolarHBondContact O-N 3.37Å; F106-L110 HydrophobicContact CE1-CD2 3.9Å; F106-L110 HydrophobicContact CZ-CD2 3.99Å; F106-L110 WeakPolarHBondContact O-CB 3.39Å; F106-L110 PolarHBondContact O-N 2.95Å
107G92.2Very high89.7Confident39 Ų3972.2 Ų72.240%0.40238%0.377SS..Hα-helixtrans-60.7-36.5177.500000113L103 Q104 R105 G111L103-G107 PolarHBondContact O-N 3.05Å; Q104-G107 PolarHBondContact O-N 3.37Å; R105-G107 VanDerWaalsContact C-N 3.35Å; R105-G107 PolarHBondContact O-N 3.45Å; G107-G111 PolarHBondContact O-N 2.83Å
108T92.7Very high90.2Very high96 Ų9676 Ų7659%0.58938%0.383SS*.Hα-helixtrans-68.9-46.3176-560000111.6Q104 R105 F106 G111 S112Q104-T108 PolarHBondContact O-N 2.93Å; Q104-T108 PolarHBondContact O-OG1 3.38Å; R105-T108 WeakPolarHBondContact O-CB 3.07Å; R105-T108 PolarHBondContact O-N 3.34Å; F106-T108 VanDerWaalsContact C-N 3.28Å; F106-T108 PolarHBondContact O-N 3.13Å; T108-G111 PolarHBondContact O-N 3.27Å; T108-S112 WeakPolarHBondContact O-CB 3.39Å; T108-S112 PolarHBondContact O-N 2.85Å
109L90.7Very high90.8Very high48 Ų4877.9 Ų77.925%0.25140%0.397SS..Hα-helixtrans-62.4-47.5176.9-73.4171.9000111.2T49 L51 W54 R105 F106 S112 E113T49-L109 HydrophobicContact CG2-CD2 4.49Å; L51-L109 HydrophobicContact CD2-CB 3.77Å; W54-L109 HydrophobicContact CD2-CD1 4.25Å; W54-L109 HydrophobicContact CG-CD1 4.41Å; W54-L109 HydrophobicContact CZ2-CD1 4.06Å; W54-L109 VanDerWaalsContact NE1-CD1 3.32Å; R105-L109 WeakPolarHBondContact O-CG 3.39Å; R105-L109 PolarHBondContact O-N 3.12Å; F106-L109 PolarHBondContact O-N 3.37Å; L109-S112 PolarHBondContact O-N 3.32Å; L109-E113 WeakPolarHBondContact O-CB 3.4Å; L109-E113 PolarHBondContact O-N 3.1Å
110L91.1Very high91.1Very high55 Ų5579.3 Ų79.329%0.28841%0.405SS..Hα-helixtrans-62.1-47.1178.5-17665.1000111L51 F106 S112 E113 M114L51-L110 HydrophobicContact CD1-CD1 4.2Å; L51-L110 HydrophobicContact CD2-CB 4.27Å; F106-L110 HydrophobicContact CE1-CD2 3.9Å; F106-L110 HydrophobicContact CZ-CD2 3.99Å; F106-L110 WeakPolarHBondContact O-CB 3.39Å; F106-L110 PolarHBondContact O-N 2.95Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.99Å; L110-E113 PolarHBondContact O-N 3.48Å; L110-M114 HydrophobicContact CD1-CE 3.95Å; L110-M114 HydrophobicContact CD1-CG 4.4Å; L110-M114 HydrophobicContact CD2-CE 4.05Å; L110-M114 HydrophobicContact CG-CE 3.91Å; L110-M114 HydrophobicContact CG-CG 4.4Å; L110-M114 HydrophobicContact CG-SD 4.12Å; L110-M114 WeakPolarHBondContact O-CB 3.41Å; L110-M114 VanDerWaalsContact O-CG 3.29Å; L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.26Å
111G94.6Very high91.3Very high38 Ų3876.8 Ų76.839%0.39240%0.397SS..Hα-helixtrans-61-42177.900000112.5G107 T108 H115G107-G111 PolarHBondContact O-N 2.83Å; T108-G111 PolarHBondContact O-N 3.27Å; G111-H115 WeakPolarHBondContact O-CB 3.15Å; G111-H115 PolarHBondContact O-N 3.39Å
112S93.1Very high91.6Very high58 Ų5876.6 Ų76.641%0.40640%0.398SS..Hα-helixtrans-60.8-47.4173.21650000111.6T108 L109 L110 H115 K116T108-S112 WeakPolarHBondContact O-CB 3.39Å; T108-S112 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-N 3.32Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.99Å; S112-H115 PolarHBondContact O-N 2.94Å; S112-K116 WeakPolarHBondContact O-CG 3.44Å; S112-K116 PolarHBondContact O-N 3.22Å
113E89.3Confident91.9Very high88 Ų8883 Ų8341%0.41143%0.425SS..Hα-helixtrans-68-40.2-178-158.854.6-145.200112.1L51 L109 L110 H115 K116 L117L51-E113 HydrophobicContact CD1-CB 4.13Å; L51-E113 HydrophobicContact CD1-CG 4.24Å; L109-E113 WeakPolarHBondContact O-CB 3.4Å; L109-E113 PolarHBondContact O-N 3.1Å; L110-E113 PolarHBondContact O-N 3.48Å; E113-H115 VanDerWaalsContact C-N 3.32Å; E113-H115 PolarHBondContact O-N 2.81Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 IonicContact OE2-NZ 3.15Å; E113-K116 PolarHBondContact OE2-NZ 3.24Å; E113-L117 WeakPolarHBondContact O-CB 3.04Å; E113-L117 PolarHBondContact O-N 3.5Å
114M92.1Very high92Very high116 Ų11679.5 Ų79.557%0.57141%0.408SS*.Hα-helixtrans-59.8-41.5171.4-75.4-177.8168.100112L110 L117 Y118L110-M114 HydrophobicContact CD1-CE 3.95Å; L110-M114 HydrophobicContact CD1-CG 4.4Å; L110-M114 HydrophobicContact CD2-CE 4.05Å; L110-M114 HydrophobicContact CG-CE 3.91Å; L110-M114 HydrophobicContact CG-CG 4.4Å; L110-M114 HydrophobicContact CG-SD 4.12Å; L110-M114 WeakPolarHBondContact O-CB 3.41Å; L110-M114 VanDerWaalsContact O-CG 3.29Å; L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.26Å; M114-L117 PolarHBondContact O-N 3.24Å; M114-Y118 VanDerWaalsContact O-CB 3.29Å; M114-Y118 WeakPolarHBondContact O-CB 3.42Å; M114-Y118 PolarHBondContact O-N 2.93Å
115H95.4Very high91.9Very high125 Ų12578.8 Ų78.858%0.57940%0.4SS*.Hα-helixtrans-66.5-39.3178.3-173.769.7000112.4G111 S112 E113 S119G111-H115 WeakPolarHBondContact O-CB 3.15Å; G111-H115 PolarHBondContact O-N 3.39Å; S112-H115 PolarHBondContact O-N 2.94Å; E113-H115 VanDerWaalsContact C-N 3.32Å; E113-H115 PolarHBondContact O-N 2.81Å; H115-S119 WeakPolarHBondContact O-CB 3.23Å; H115-S119 PolarHBondContact O-N 3.32Å; H115-S119 PolarHBondContact O-OG 3.36Å
116K92Very high92Very high107 Ų10776.7 Ų76.747%0.46540%0.396SS..Hα-helixtrans-63.5-47.5173.3-68.9177.3-159.1156.80111.4S112 E113 S119 M120S112-K116 WeakPolarHBondContact O-CG 3.44Å; S112-K116 PolarHBondContact O-N 3.22Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 IonicContact OE2-NZ 3.15Å; E113-K116 PolarHBondContact OE2-NZ 3.24Å; K116-S119 PolarHBondContact O-N 3.09Å; K116-M120 WeakPolarHBondContact O-CB 3.36Å; K116-M120 PolarHBondContact O-N 3.08Å
117L90.3Very high91.8Very high67 Ų6778.5 Ų78.535%0.35141%0.405SS..Hα-helixtrans-59.7-47.9178-18063.2000110.8E113 M114 S119 M120 I121 W158E113-L117 WeakPolarHBondContact O-CB 3.04Å; E113-L117 PolarHBondContact O-N 3.5Å; M114-L117 PolarHBondContact O-N 3.24Å; L117-S119 PolarHBondContact O-N 3.23Å; L117-M120 WeakPolarHBondContact O-CB 3.43Å; L117-M120 PolarHBondContact O-N 2.97Å; L117-I121 HydrophobicContact CD1-CD1 3.95Å; L117-I121 HydrophobicContact CD1-CG1 4.27Å; L117-I121 HydrophobicContact CD2-CD1 4.48Å; L117-I121 HydrophobicContact CG-CD1 3.81Å; L117-I121 HydrophobicContact CG-CG1 4.49Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.31Å; L117-W158 HydrophobicContact CD1-CB 4.29Å; L117-W158 HydrophobicContact CD1-CD2 3.74Å; L117-W158 HydrophobicContact CD1-CE3 4.16Å; L117-W158 HydrophobicContact CD1-CG 3.78Å
118Y93.9Very high91.5Very high145 Ų14580 Ų8057%0.56940%0.403SS*.Hα-helixtrans-57.7-46.9175.4175.2-96.4000112M114 M120 I121 N122M114-Y118 VanDerWaalsContact O-CB 3.29Å; M114-Y118 WeakPolarHBondContact O-CB 3.42Å; M114-Y118 PolarHBondContact O-N 2.93Å; Y118-M120 VanDerWaalsContact C-N 3.29Å; Y118-M120 PolarHBondContact O-N 3.05Å; Y118-I121 PolarHBondContact O-N 3.44Å; Y118-N122 HydrophobicContact CE1-CB 4.4Å; Y118-N122 VanDerWaalsContact O-CB 3.22Å; Y118-N122 WeakPolarHBondContact O-CB 3.49Å; Y118-N122 PolarHBondContact O-N 3.45Å
119S95.3Very high91.1Very high51 Ų5180.4 Ų80.436%0.35740%0.399SS..Hα-helixtrans-61.5-39.5178.7-62.20000111.8H115 K116 L117 K123H115-S119 WeakPolarHBondContact O-CB 3.23Å; H115-S119 PolarHBondContact O-N 3.32Å; H115-S119 PolarHBondContact O-OG 3.36Å; K116-S119 PolarHBondContact O-N 3.09Å; L117-S119 PolarHBondContact O-N 3.23Å; S119-K123 VanDerWaalsContact O-CB 3.3Å; S119-K123 WeakPolarHBondContact O-CB 3.22Å; S119-K123 PolarHBondContact O-N 2.84Å
120M90.8Very high90.7Very high80 Ų8085.4 Ų85.439%0.39442%0.421SS..Hα-helixtrans-65.5-49.7176.1-164.7176.8-55.600111.2K116 L117 Y118 N122 K123 S124 W158K116-M120 WeakPolarHBondContact O-CB 3.36Å; K116-M120 PolarHBondContact O-N 3.08Å; L117-M120 WeakPolarHBondContact O-CB 3.43Å; L117-M120 PolarHBondContact O-N 2.97Å; Y118-M120 VanDerWaalsContact C-N 3.29Å; Y118-M120 PolarHBondContact O-N 3.05Å; M120-N122 PolarHBondContact O-N 3.15Å; M120-K123 PolarHBondContact O-N 2.93Å; M120-S124 PolarHBondContact O-N 3.36Å; M120-S124 PolarHBondContact O-OG 3.34Å; M120-W158 HydrophobicContact CB-CZ2 4.4Å; M120-W158 HydrophobicContact CG-CH2 4.33Å; M120-W158 HydrophobicContact CG-CZ2 3.64Å; M120-W158 HydrophobicContact SD-CH2 4.48Å; M120-W158 HydrophobicContact SD-CZ2 3.31Å; M120-W158 WeakPolarHBondContact SD-CZ2 3.48Å; M120-W158 PolarHBondContact SD-NE1 3.27Å; M120-W158 VanDerWaalsContact SD-NE1 3.44Å
121I91.5Very high89.7Confident78 Ų7887 Ų8740%0.443%0.427SS..Hα-helixtrans-60.2-46.7177.3-68.8169.3000111L117 Y118 K123 S124 R125 W158L117-I121 HydrophobicContact CD1-CD1 3.95Å; L117-I121 HydrophobicContact CD1-CG1 4.27Å; L117-I121 HydrophobicContact CD2-CD1 4.48Å; L117-I121 HydrophobicContact CG-CD1 3.81Å; L117-I121 HydrophobicContact CG-CG1 4.49Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.31Å; Y118-I121 PolarHBondContact O-N 3.44Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.21Å; I121-S124 PolarHBondContact O-N 3.1Å; I121-R125 WeakPolarHBondContact O-CB 3.2Å; I121-R125 PolarHBondContact O-N 2.9Å; I121-W158 HydrophobicContact CD1-CZ3 4.41Å; I121-W158 HydrophobicContact CG1-CE3 4.2Å; I121-W158 HydrophobicContact CG1-CH2 4Å; I121-W158 HydrophobicContact CG1-CZ3 3.63Å
122N94.4Very high88.3Confident51 Ų5191 Ų9127%0.27344%0.439SS..Hα-helixtrans-63.6-40.8-179.7-174.263.2000111.5Y118 M120 R125 N126Y118-N122 HydrophobicContact CE1-CB 4.4Å; Y118-N122 VanDerWaalsContact O-CB 3.22Å; Y118-N122 WeakPolarHBondContact O-CB 3.49Å; Y118-N122 PolarHBondContact O-N 3.45Å; M120-N122 PolarHBondContact O-N 3.15Å; N122-R125 PolarHBondContact O-N 3.15Å; N122-N126 VanDerWaalsContact O-CG 3.23Å; N122-N126 PolarHBondContact O-N 2.88Å; N122-N126 PolarHBondContact O-ND2 3.3Å
123K92.1Very high86.8Confident133 Ų13395 Ų9558%0.57846%0.461SS*.Hα-helixtrans-61.4-47.1172.6-177.2-179.8177.9-178.90111.3S119 M120 I121 R125 N126 Q127S119-K123 VanDerWaalsContact O-CB 3.3Å; S119-K123 WeakPolarHBondContact O-CB 3.22Å; S119-K123 PolarHBondContact O-N 2.84Å; M120-K123 PolarHBondContact O-N 2.93Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.21Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.26Å; K123-N126 PolarHBondContact O-N 2.87Å; K123-Q127 WeakPolarHBondContact O-CG 2.93Å; K123-Q127 PolarHBondContact O-N 3.16Å
124S90Very high85.6Confident13 Ų1397.9 Ų97.99%0.09148%0.479CS..Hα-helixtrans-61.6-41.8179-61.10000112.2M120 I121 Q127 L128 Y147 L151M120-S124 PolarHBondContact O-N 3.36Å; M120-S124 PolarHBondContact O-OG 3.34Å; I121-S124 PolarHBondContact O-N 3.1Å; S124-Q127 PolarHBondContact O-N 3.11Å; S124-L128 WeakPolarHBondContact O-CG 3.33Å; S124-L128 PolarHBondContact O-N 3.03Å; S124-Y147 WeakPolarHBondContact CA-OH 3.3Å; S124-L151 WeakPolarHBondContact OG-CD2 3.28Å
125R90.5Very high84.1Confident129 Ų12995.1 Ų95.149%0.48747%0.469SS..Hα-helixtrans-58-52.8172.6177.9-169160.9-129.8-13.6111.3I121 N122 K123 Q127 L128 E129I121-R125 WeakPolarHBondContact O-CB 3.2Å; I121-R125 PolarHBondContact O-N 2.9Å; N122-R125 PolarHBondContact O-N 3.15Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.26Å; R125-Q127 VanDerWaalsContact C-N 3.26Å; R125-Q127 PolarHBondContact O-N 3.31Å; R125-L128 WeakPolarHBondContact O-CB 3.3Å; R125-L128 PolarHBondContact O-N 2.84Å; R125-L128 VanDerWaalsContact O-N 3.07Å; R125-E129 HydrophobicContact CG-CG 4.38Å; R125-E129 IonicContact CZ-OE1 3.64Å; R125-E129 IonicContact CZ-OE2 3.99Å; R125-E129 IonicContact NE-OE1 3.73Å; R125-E129 PolarHBondContact NE-OE1 3.4Å; R125-E129 IonicContact NE-OE2 3.22Å; R125-E129 VanDerWaalsContact NH2-CD 3.35Å; R125-E129 IonicContact NH2-OE1 3.12Å; R125-E129 PolarHBondContact NH2-OE1 2.79Å; R125-E129 IonicContact NH2-OE2 3.89Å; R125-E129 PolarHBondContact NH2-OE2 3.3Å; R125-E129 VanDerWaalsContact NH2-OE2 3.12Å; R125-E129 WeakPolarHBondContact O-CG 3.37Å; R125-E129 PolarHBondContact O-N 3.3Å
126N90.5Very high83Confident59 Ų5994.2 Ų94.232%0.31648%0.477SS..Hα-helixtrans-59.9-38.1-178.9-69.6-19.3000112N122 K123 E129 Q130N122-N126 VanDerWaalsContact O-CG 3.23Å; N122-N126 PolarHBondContact O-N 2.88Å; N122-N126 PolarHBondContact O-ND2 3.3Å; K123-N126 PolarHBondContact O-N 2.87Å; N126-E129 PolarHBondContact O-N 3.21Å; N126-Q130 WeakPolarHBondContact O-CB 3Å; N126-Q130 VanDerWaalsContact O-CG 3.26Å; N126-Q130 WeakPolarHBondContact O-CG 3.3Å; N126-Q130 PolarHBondContact O-N 3.45Å
127Q85.7Confident82.4Confident73 Ų7391.2 Ų91.234%0.34147%0.469SS..Hα-helixtrans-67.8-35.5176.1-72.1-176.5-56.800112.7K123 S124 R125 Q131 Y147K123-Q127 WeakPolarHBondContact O-CG 2.93Å; K123-Q127 PolarHBondContact O-N 3.16Å; S124-Q127 PolarHBondContact O-N 3.11Å; R125-Q127 VanDerWaalsContact C-N 3.26Å; R125-Q127 PolarHBondContact O-N 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.14Å; Q127-Y147 HydrophobicContact CB-CE1 3.93Å; Q127-Y147 VanDerWaalsContact CB-OH 3.23Å; Q127-Y147 WeakPolarHBondContact CB-OH 3.18Å; Q127-Y147 PolarHBondContact OE1-OH 2.96Å
128L85.9Confident82.1Confident69 Ų6994 Ų9436%0.36149%0.489SS..Hα-helixtrans-69.2-39.2172.5-71.6173.7000112.1S124 R125 Q131 F144 Y147 V148 L151S124-L128 WeakPolarHBondContact O-CG 3.33Å; S124-L128 PolarHBondContact O-N 3.03Å; R125-L128 WeakPolarHBondContact O-CB 3.3Å; R125-L128 PolarHBondContact O-N 2.84Å; R125-L128 VanDerWaalsContact O-N 3.07Å; L128-Q131 PolarHBondContact O-N 3.1Å; L128-F144 HydrophobicContact CD2-CE2 3.89Å; L128-F144 HydrophobicContact CD2-CZ 4.21Å; L128-Y147 HydrophobicContact CD2-CD1 4.24Å; L128-Y147 HydrophobicContact CD2-CE1 3.98Å; L128-Y147 HydrophobicContact CG-CE1 4.21Å; L128-V148 HydrophobicContact CD2-CG2 3.89Å; L128-L151 HydrophobicContact CD1-CD1 3.85Å; L128-L151 HydrophobicContact CD2-CD1 3.9Å; L128-L151 HydrophobicContact CG-CD1 3.83Å
129E84.3Confident81.6Confident106 Ų10691.5 Ų91.550%0.49549%0.493SS..Hα-helixtrans-71-32.2179.1-73.3-179.217500113.1R125 N126 Q131R125-E129 HydrophobicContact CG-CG 4.38Å; R125-E129 IonicContact CZ-OE1 3.64Å; R125-E129 IonicContact CZ-OE2 3.99Å; R125-E129 IonicContact NE-OE1 3.73Å; R125-E129 PolarHBondContact NE-OE1 3.4Å; R125-E129 IonicContact NE-OE2 3.22Å; R125-E129 VanDerWaalsContact NH2-CD 3.35Å; R125-E129 IonicContact NH2-OE1 3.12Å; R125-E129 PolarHBondContact NH2-OE1 2.79Å; R125-E129 IonicContact NH2-OE2 3.89Å; R125-E129 PolarHBondContact NH2-OE2 3.3Å; R125-E129 VanDerWaalsContact NH2-OE2 3.12Å; R125-E129 WeakPolarHBondContact O-CG 3.37Å; R125-E129 PolarHBondContact O-N 3.3Å; N126-E129 PolarHBondContact O-N 3.21Å; E129-Q131 PolarHBondContact O-N 3.29Å
130Q81.9Confident81Confident152 Ų15293.5 Ų93.571%0.7150%0.496SS*.THydrogen-bonded Turntrans-69.7-17.9176.4-78.2176.37.900113.7N126 N132N126-Q130 WeakPolarHBondContact O-CB 3Å; N126-Q130 VanDerWaalsContact O-CG 3.26Å; N126-Q130 WeakPolarHBondContact O-CG 3.3Å; N126-Q130 PolarHBondContact O-N 3.45Å; Q130-N132 PolarHBondContact O-N 3.01Å; Q130-N132 VanDerWaalsContact O-N 3.13Å
131Q71Confident80.7Confident88 Ų8891.2 Ų91.241%0.41149%0.49SS..SBendtrans-82.592.1179.5-68.8-78.8-17.200108.6Q127 L128 E129 V133 F144Q127-Q131 WeakPolarHBondContact O-CG 3.14Å; L128-Q131 PolarHBondContact O-N 3.1Å; E129-Q131 PolarHBondContact O-N 3.29Å; Q131-V133 PolarHBondContact O-N 3.37Å; Q131-F144 HydrophobicContact CB-CD2 3.75Å; Q131-F144 HydrophobicContact CB-CE2 3.64Å; Q131-F144 HydrophobicContact CG-CD2 3.56Å; Q131-F144 HydrophobicContact CG-CE2 3.79Å
132N65.6Low80.5Confident123 Ų12391.9 Ų91.966%0.65850%0.498SS*.  trans-60.3133.8169.8-77-19.2000109.3Q130 D134Q130-N132 PolarHBondContact O-N 3.01Å; Q130-N132 VanDerWaalsContact O-N 3.13Å; N132-D134 PolarHBondContact O-N 3.43Å
133V61.4Low80Confident142 Ų14291.5 Ų91.586%0.86151%0.506SS*.SBendtrans-64.6-9.5177.6179.30000112.2Q131 V135Q131-V133 PolarHBondContact O-N 3.37Å; V133-V135 PolarHBondContact O-N 2.86Å
134D63.2Low79.7Confident148 Ų14888.3 Ų88.379%0.79149%0.492SS*.  trans-73.662.6166.4-72.1-32.8000110.9N132 S136N132-D134 PolarHBondContact O-N 3.43Å; D134-S136 PolarHBondContact O-N 3.43Å
135V61Low79.6Confident58 Ų5892.3 Ų92.335%0.35251%0.512SS..  trans-68.198.3172.8178.70000108V133 S137 E140 A141V133-V135 PolarHBondContact O-N 2.86Å; V135-S137 VanDerWaalsContact C-N 3.29Å; V135-S137 WeakPolarHBondContact CG1-O 3.42Å; V135-S137 PolarHBondContact O-N 2.91Å; V135-E140 HydrophobicContact CG1-CB 3.84Å; V135-A141 HydrophobicContact CG1-CB 3.62Å; V135-A141 VanDerWaalsContact CG1-N 3.3Å
136S71.3Confident79.6Confident107 Ų10789.7 Ų89.775%0.74851%0.51SS*.  trans-73.4-24.1-175.470.70000112.5D134 E140D134-S136 PolarHBondContact O-N 3.43Å; S136-E140 PolarHBondContact N-OE2 3.49Å; S136-E140 PolarHBondContact OG-OE2 3.44Å
137S80.1Confident79.5Confident43 Ų4389.5 Ų89.530%0.30151%0.505SS..SBendtrans-131144.8-177.571.40000113.5V135 S139 E140 A141V135-S137 VanDerWaalsContact C-N 3.29Å; V135-S137 WeakPolarHBondContact CG1-O 3.42Å; V135-S137 PolarHBondContact O-N 2.91Å; S137-S139 PolarHBondContact O-N 3.42Å; S137-E140 PolarHBondContact N-OE2 3.02Å; S137-E140 VanDerWaalsContact N-OE2 3.15Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 3.36Å; S137-E140 VanDerWaalsContact O-N 3.11Å; S137-E140 WeakPolarHBondContact OG-CB 3.5Å; S137-E140 WeakPolarHBondContact OG-CG 3.32Å; S137-E140 PolarHBondContact OG-N 3.23Å; S137-E140 PolarHBondContact OG-OE2 2.65Å; S137-A141 PolarHBondContact O-N 3.48Å; S137-A141 VanDerWaalsContact O-N 3.17Å
138T83.8Confident79.7Confident126 Ų12687.7 Ų87.777%0.77350%0.499SS*.Hα-helixtrans-58.7-30.6175.151.40000112.7A141 V142T138-A141 WeakPolarHBondContact O-CB 3.38Å; T138-A141 PolarHBondContact O-N 2.86Å; T138-V142 WeakPolarHBondContact O-CG2 3.4Å; T138-V142 PolarHBondContact O-N 3.2Å
139S84.4Confident80Confident93 Ų9389.5 Ų89.565%0.6551%0.506SS*.Hα-helixtrans-64.5-42.3175.5-172.90000112.2S137 G143S137-S139 PolarHBondContact O-N 3.42Å; S139-G143 PolarHBondContact O-N 2.89Å
140E82.1Confident80.3Confident92 Ų9288.9 Ų88.943%0.4351%0.506SS..Hα-helixtrans-64.2-41.5174.5-74.3163.3166.200110.9V135 S136 S137 V142 G143 F144V135-E140 HydrophobicContact CG1-CB 3.84Å; S136-E140 PolarHBondContact N-OE2 3.49Å; S136-E140 PolarHBondContact OG-OE2 3.44Å; S137-E140 PolarHBondContact N-OE2 3.02Å; S137-E140 VanDerWaalsContact N-OE2 3.15Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 3.36Å; S137-E140 VanDerWaalsContact O-N 3.11Å; S137-E140 WeakPolarHBondContact OG-CB 3.5Å; S137-E140 WeakPolarHBondContact OG-CG 3.32Å; S137-E140 PolarHBondContact OG-N 3.23Å; S137-E140 PolarHBondContact OG-OE2 2.65Å; E140-V142 PolarHBondContact O-N 3.06Å; E140-G143 PolarHBondContact O-N 2.77Å; E140-F144 WeakPolarHBondContact O-CB 2.98Å; E140-F144 PolarHBondContact O-N 3.28Å
141A83.2Confident80.7Confident33 Ų3382.4 Ų82.427%0.27348%0.476SS..Hα-helixtrans-58.6-48.5177.200000111.7V135 S137 T138 F144 I145V135-A141 HydrophobicContact CG1-CB 3.62Å; V135-A141 VanDerWaalsContact CG1-N 3.3Å; S137-A141 PolarHBondContact O-N 3.48Å; S137-A141 VanDerWaalsContact O-N 3.17Å; T138-A141 WeakPolarHBondContact O-CB 3.38Å; T138-A141 PolarHBondContact O-N 2.86Å; A141-F144 PolarHBondContact O-N 2.91Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.48Å; A141-I145 PolarHBondContact O-N 3.28Å
142V87.1Confident81.7Confident91 Ų9183.9 Ų83.955%0.55248%0.481SS*.Hα-helixtrans-63.7-44.9179.4173.80000110.5T138 E140 F144 I145 T146T138-V142 WeakPolarHBondContact O-CG2 3.4Å; T138-V142 PolarHBondContact O-N 3.2Å; E140-V142 PolarHBondContact O-N 3.06Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 3.39Å; V142-I145 PolarHBondContact O-N 2.9Å; V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.2Å; V142-T146 VanDerWaalsContact O-OG1 3.1Å
143G85.9Confident82.9Confident43 Ų4386.1 Ų86.144%0.44348%0.48SS..Hα-helixtrans-57.7-42.8176.600000112.9S139 E140 T146 Y147S139-G143 PolarHBondContact O-N 2.89Å; E140-G143 PolarHBondContact O-N 2.77Å; G143-T146 PolarHBondContact O-N 2.82Å; G143-Y147 WeakPolarHBondContact O-CB 3.41Å; G143-Y147 PolarHBondContact O-N 3.01Å
144F84.5Confident84.3Confident66 Ų6682.8 Ų82.829%0.28946%0.455SS..Hα-helixtrans-64.3-47175.8180-112000112.5L128 Q131 E140 A141 V142 T146 Y147 V148L128-F144 HydrophobicContact CD2-CE2 3.89Å; L128-F144 HydrophobicContact CD2-CZ 4.21Å; Q131-F144 HydrophobicContact CB-CD2 3.75Å; Q131-F144 HydrophobicContact CB-CE2 3.64Å; Q131-F144 HydrophobicContact CG-CD2 3.56Å; Q131-F144 HydrophobicContact CG-CE2 3.79Å; E140-F144 WeakPolarHBondContact O-CB 2.98Å; E140-F144 PolarHBondContact O-N 3.28Å; A141-F144 PolarHBondContact O-N 2.91Å; V142-F144 VanDerWaalsContact C-N 3.32Å; V142-F144 PolarHBondContact O-N 3.39Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 3.44Å; F144-Y147 WeakPolarHBondContact O-CB 3.41Å; F144-Y147 PolarHBondContact O-N 3.32Å; F144-Y147 VanDerWaalsContact O-N 3.16Å; F144-V148 HydrophobicContact CD1-CG2 4.3Å; F144-V148 HydrophobicContact CD2-CG2 4.27Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 3.86Å; F144-V148 HydrophobicContact CG-CG2 4.5Å; F144-V148 HydrophobicContact CZ-CG2 3.65Å; F144-V148 WeakPolarHBondContact O-CG2 2.97Å; F144-V148 PolarHBondContact O-N 3.02Å
145I87.7Confident85.5Confident98 Ų9878.8 Ų78.850%0.50344%0.436SS..Hα-helixtrans-58.4-46.7177.3-68.2165.3000110.2A141 V142 Y147 V148 Q149A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.48Å; A141-I145 PolarHBondContact O-N 3.28Å; V142-I145 PolarHBondContact O-N 2.9Å; I145-Y147 VanDerWaalsContact C-N 3.31Å; I145-Y147 PolarHBondContact O-N 2.97Å; I145-V148 PolarHBondContact O-N 2.82Å; I145-Q149 HydrophobicContact CG2-CG 4.39Å; I145-Q149 VanDerWaalsContact O-CG 3.29Å; I145-Q149 WeakPolarHBondContact O-CG 3.24Å; I145-Q149 PolarHBondContact O-N 3.21Å
146T90.2Very high86.8Confident74 Ų7482.7 Ų82.745%0.45445%0.448SS..Hα-helixtrans-59.3-42.7177-59.50000111.6V142 G143 F144 Q149 N150V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.2Å; V142-T146 VanDerWaalsContact O-OG1 3.1Å; G143-T146 PolarHBondContact O-N 2.82Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 3.44Å; T146-Q149 PolarHBondContact O-N 2.86Å; T146-N150 PolarHBondContact O-N 3.27Å; T146-N150 PolarHBondContact O-ND2 2.95Å
147Y88.4Confident87.4Confident54 Ų5481.9 Ų81.921%0.21243%0.433CS..Hα-helixtrans-62.4-47.3176.7178-103.8000112.2S124 Q127 L128 G143 F144 I145 Q149 N150 L151S124-Y147 WeakPolarHBondContact CA-OH 3.3Å; Q127-Y147 HydrophobicContact CB-CE1 3.93Å; Q127-Y147 VanDerWaalsContact CB-OH 3.23Å; Q127-Y147 WeakPolarHBondContact CB-OH 3.18Å; Q127-Y147 PolarHBondContact OE1-OH 2.96Å; L128-Y147 HydrophobicContact CD2-CD1 4.24Å; L128-Y147 HydrophobicContact CD2-CE1 3.98Å; L128-Y147 HydrophobicContact CG-CE1 4.21Å; G143-Y147 WeakPolarHBondContact O-CB 3.41Å; G143-Y147 PolarHBondContact O-N 3.01Å; F144-Y147 WeakPolarHBondContact O-CB 3.41Å; F144-Y147 PolarHBondContact O-N 3.32Å; F144-Y147 VanDerWaalsContact O-N 3.16Å; I145-Y147 VanDerWaalsContact C-N 3.31Å; I145-Y147 PolarHBondContact O-N 2.97Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å; Y147-Q149 PolarHBondContact O-N 3.03Å; Y147-N150 PolarHBondContact O-N 3.43Å; Y147-L151 HydrophobicContact CD1-CD1 3.91Å; Y147-L151 HydrophobicContact CD1-CG 4.3Å; Y147-L151 HydrophobicContact CE1-CD1 3.21Å; Y147-L151 HydrophobicContact CE1-CD2 4.47Å; Y147-L151 HydrophobicContact CE1-CG 3.8Å; Y147-L151 HydrophobicContact CE2-CD1 4.47Å; Y147-L151 HydrophobicContact CE2-CD2 4.38Å; Y147-L151 HydrophobicContact CE2-CG 4.22Å; Y147-L151 PolarHBondContact O-N 3.48Å
148V89.7Confident87.5Confident36 Ų3682.8 Ų82.822%0.21843%0.43CS..Hα-helixtrans-60.9-38.6176.51720000111.6L128 F144 I145 L151 K152L128-V148 HydrophobicContact CD2-CG2 3.89Å; F144-V148 HydrophobicContact CD1-CG2 4.3Å; F144-V148 HydrophobicContact CD2-CG2 4.27Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 3.86Å; F144-V148 HydrophobicContact CG-CG2 4.5Å; F144-V148 HydrophobicContact CZ-CG2 3.65Å; F144-V148 WeakPolarHBondContact O-CG2 2.97Å; F144-V148 PolarHBondContact O-N 3.02Å; I145-V148 PolarHBondContact O-N 2.82Å; V148-L151 PolarHBondContact O-N 2.87Å; V148-K152 HydrophobicContact CG1-CD 4.46Å; V148-K152 WeakPolarHBondContact O-CG 3.39Å; V148-K152 PolarHBondContact O-N 3.3Å
149Q92.3Very high87.3Confident107 Ų10783.8 Ų83.850%0.543%0.426SS..Hα-helixtrans-66.6-40.9176.4-68.5-62.9-2100112.1I145 T146 Y147 K152 R153I145-Q149 HydrophobicContact CG2-CG 4.39Å; I145-Q149 VanDerWaalsContact O-CG 3.29Å; I145-Q149 WeakPolarHBondContact O-CG 3.24Å; I145-Q149 PolarHBondContact O-N 3.21Å; T146-Q149 PolarHBondContact O-N 2.86Å; Y147-Q149 VanDerWaalsContact C-N 3.3Å; Y147-Q149 PolarHBondContact O-N 3.03Å; Q149-K152 PolarHBondContact O-N 2.9Å; Q149-R153 PolarHBondContact O-N 3.49Å; Q149-R153 VanDerWaalsContact O-N 3.12Å
150N91.5Very high86.8Confident93 Ų9386 Ų8650%0.49743%0.43SS..Hα-helixtrans-63.1-43.1173.5-75.4-24.2000111.6T146 Y147 K152 R153 Q154T146-N150 PolarHBondContact O-N 3.27Å; T146-N150 PolarHBondContact O-ND2 2.95Å; Y147-N150 PolarHBondContact O-N 3.43Å; N150-K152 PolarHBondContact O-N 3.48Å; N150-R153 WeakPolarHBondContact O-CB 3.35Å; N150-R153 PolarHBondContact O-N 2.84Å; N150-Q154 WeakPolarHBondContact O-CG 3.32Å; N150-Q154 PolarHBondContact O-N 2.97Å
151L91.3Very high85.7Confident15 Ų1590.4 Ų90.48%0.07946%0.456CS..Hα-helixtrans-60.4-44.4174.6-77.1-175.3000112.4S124 L128 Y147 V148 R153 Q154 V155S124-L151 WeakPolarHBondContact OG-CD2 3.28Å; L128-L151 HydrophobicContact CD1-CD1 3.85Å; L128-L151 HydrophobicContact CD2-CD1 3.9Å; L128-L151 HydrophobicContact CG-CD1 3.83Å; Y147-L151 HydrophobicContact CD1-CD1 3.91Å; Y147-L151 HydrophobicContact CD1-CG 4.3Å; Y147-L151 HydrophobicContact CE1-CD1 3.21Å; Y147-L151 HydrophobicContact CE1-CD2 4.47Å; Y147-L151 HydrophobicContact CE1-CG 3.8Å; Y147-L151 HydrophobicContact CE2-CD1 4.47Å; Y147-L151 HydrophobicContact CE2-CD2 4.38Å; Y147-L151 HydrophobicContact CE2-CG 4.22Å; Y147-L151 PolarHBondContact O-N 3.48Å; V148-L151 PolarHBondContact O-N 2.87Å; L151-R153 PolarHBondContact O-N 3.41Å; L151-Q154 PolarHBondContact O-N 2.93Å; L151-Q154 VanDerWaalsContact O-N 3.12Å; L151-V155 VanDerWaalsContact O-CG2 3.25Å; L151-V155 WeakPolarHBondContact O-CG2 3.33Å; L151-V155 PolarHBondContact O-N 3.3Å
152K91.2Very high85.8Confident120 Ų12093.3 Ų93.352%0.52247%0.465SS..Hα-helixtrans-58.5-35.7175.9-78.8179.4177-178.40112.3V148 Q149 N150 K156V148-K152 HydrophobicContact CG1-CD 4.46Å; V148-K152 WeakPolarHBondContact O-CG 3.39Å; V148-K152 PolarHBondContact O-N 3.3Å; Q149-K152 PolarHBondContact O-N 2.9Å; N150-K152 PolarHBondContact O-N 3.48Å; K152-K156 PolarHBondContact O-N 3.03Å
153R91.8Very high85.7Confident170 Ų17093.4 Ų93.464%0.64246%0.461SS*.Hα-helixtrans-68.2-45.3174.2-178.4-179.5171.1167.23.7111.4Q149 N150 L151 V155 K156 E157Q149-R153 PolarHBondContact O-N 3.49Å; Q149-R153 VanDerWaalsContact O-N 3.12Å; N150-R153 WeakPolarHBondContact O-CB 3.35Å; N150-R153 PolarHBondContact O-N 2.84Å; L151-R153 PolarHBondContact O-N 3.41Å; R153-V155 VanDerWaalsContact C-N 3.34Å; R153-V155 PolarHBondContact O-N 3.23Å; R153-K156 PolarHBondContact O-N 3.48Å; R153-E157 IonicContact NE-OE1 3.1Å; R153-E157 PolarHBondContact NE-OE1 3.04Å; R153-E157 IonicContact NH2-OE1 3.47Å; R153-E157 PolarHBondContact O-N 2.97Å; R153-E157 VanDerWaalsContact O-N 3.14Å
154Q89.2Confident85.7Confident72 Ų7296.2 Ų96.234%0.33646%0.462SS..Hα-helixtrans-61.1-40.7177.9-71.4-177.5-3200112.5N150 L151 K156 E157 W158N150-Q154 WeakPolarHBondContact O-CG 3.32Å; N150-Q154 PolarHBondContact O-N 2.97Å; L151-Q154 PolarHBondContact O-N 2.93Å; L151-Q154 VanDerWaalsContact O-N 3.12Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.07Å; Q154-E157 WeakPolarHBondContact O-CA 3.49Å; Q154-E157 WeakPolarHBondContact O-CB 3.48Å; Q154-E157 PolarHBondContact O-N 3.36Å; Q154-W158 HydrophobicContact CB-CZ2 3.93Å; Q154-W158 VanDerWaalsContact O-CG 3.29Å; Q154-W158 PolarHBondContact O-N 3.42Å
155V88.3Confident85.8Confident63 Ų6397.9 Ų97.938%0.38247%0.472SS..Hα-helixtrans-58.4-42.7176.7175.20000111.5L151 R153 E157 W158 E159L151-V155 VanDerWaalsContact O-CG2 3.25Å; L151-V155 WeakPolarHBondContact O-CG2 3.33Å; L151-V155 PolarHBondContact O-N 3.3Å; R153-V155 VanDerWaalsContact C-N 3.34Å; R153-V155 PolarHBondContact O-N 3.23Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 3Å; V155-W158 HydrophobicContact CB-CE3 4.39Å; V155-W158 HydrophobicContact CG2-CE3 4.1Å; V155-W158 HydrophobicContact CG2-CZ3 3.83Å; V155-W158 PolarHBondContact O-N 3.45Å; V155-E159 PolarHBondContact O-N 2.86Å; V155-E159 VanDerWaalsContact O-N 3.1Å
156K88.2Confident85.7Confident141 Ų14197.9 Ų97.961%0.61347%0.47SS*.Hα-helixtrans-65.5-33.6175.3-69.1-177.9177.2-172.60112.9K152 R153 Q154 W158 N160K152-K156 PolarHBondContact O-N 3.03Å; R153-K156 PolarHBondContact O-N 3.48Å; Q154-K156 VanDerWaalsContact C-N 3.3Å; Q154-K156 PolarHBondContact O-N 3.07Å; K156-W158 VanDerWaalsContact C-N 3.32Å; K156-N160 PolarHBondContact O-ND2 3.38Å
157E85.2Confident85.3Confident89 Ų8999.5 Ų99.542%0.41647%0.471SS..Hα-helixtrans-68.9-33.9174.8-70170.6-173.300111.1R153 Q154 V155 N160 N161R153-E157 IonicContact NE-OE1 3.1Å; R153-E157 PolarHBondContact NE-OE1 3.04Å; R153-E157 IonicContact NH2-OE1 3.47Å; R153-E157 PolarHBondContact O-N 2.97Å; R153-E157 VanDerWaalsContact O-N 3.14Å; Q154-E157 WeakPolarHBondContact O-CA 3.49Å; Q154-E157 WeakPolarHBondContact O-CB 3.48Å; Q154-E157 PolarHBondContact O-N 3.36Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 3Å; E157-N160 PolarHBondContact O-N 3.2Å; E157-N161 PolarHBondContact O-ND2 3.47Å
158W82.7Confident85.1Confident63 Ų63102.8 Ų102.824%0.23949%0.49CS..Hα-helixtrans-69.9-35.2174.6-56.6-25000113.3L117 M120 I121 Q154 V155 K156 N160L117-W158 HydrophobicContact CD1-CB 4.29Å; L117-W158 HydrophobicContact CD1-CD2 3.74Å; L117-W158 HydrophobicContact CD1-CE3 4.16Å; L117-W158 HydrophobicContact CD1-CG 3.78Å; M120-W158 HydrophobicContact CB-CZ2 4.4Å; M120-W158 HydrophobicContact CG-CH2 4.33Å; M120-W158 HydrophobicContact CG-CZ2 3.64Å; M120-W158 HydrophobicContact SD-CH2 4.48Å; M120-W158 HydrophobicContact SD-CZ2 3.31Å; M120-W158 WeakPolarHBondContact SD-CZ2 3.48Å; M120-W158 PolarHBondContact SD-NE1 3.27Å; M120-W158 VanDerWaalsContact SD-NE1 3.44Å; I121-W158 HydrophobicContact CD1-CZ3 4.41Å; I121-W158 HydrophobicContact CG1-CE3 4.2Å; I121-W158 HydrophobicContact CG1-CH2 4Å; I121-W158 HydrophobicContact CG1-CZ3 3.63Å; Q154-W158 HydrophobicContact CB-CZ2 3.93Å; Q154-W158 VanDerWaalsContact O-CG 3.29Å; Q154-W158 PolarHBondContact O-N 3.42Å; V155-W158 HydrophobicContact CB-CE3 4.39Å; V155-W158 HydrophobicContact CG2-CE3 4.1Å; V155-W158 HydrophobicContact CG2-CZ3 3.83Å; V155-W158 PolarHBondContact O-N 3.45Å; K156-W158 VanDerWaalsContact C-N 3.32Å; W158-N160 PolarHBondContact O-N 3.31Å
159E79.2Confident84.8Confident147 Ų147107.9 Ų107.969%0.68751%0.511SS*.Hα-helixtrans-67.3-21.4177.2-72.1175.7162.700113.6V155V155-E159 PolarHBondContact O-N 2.86Å; V155-E159 VanDerWaalsContact O-N 3.1Å
160N72.6Confident84.2Confident140 Ų140108 Ų10875%0.74951%0.512SS*.THydrogen-bonded Turntrans-93.9-6-176.6-71.7-40.6000114.4K156 E157 W158K156-N160 PolarHBondContact O-ND2 3.38Å; E157-N160 PolarHBondContact O-N 3.2Å; W158-N160 PolarHBondContact O-N 3.31Å
161N58.7Low83.5Confident183 Ų183109.4 Ų109.498%0.97951%0.513SS*.  trans-103.10177.3-73.6-68.1000111.2E157E157-N161 PolarHBondContact O-ND2 3.47Å

Retrieved 161 of 161 residues in 206.5 ms (Link to these results)

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