A0A077ZI46_TRITR Loading...

DNA 5'-3' helicase

AlphaFold DB , UniProt , Accession A0A077ZI46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 470 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
1M53.7Low83.5Confident148 Ų14835.2 Ų35.273%0.72920%0.202SC*.  0-470-152.4174.3-76.800112.4R91M1-R91 VanDerWaalsContact CA-NH1 3.28Å; M1-R91 PolarHBondContact O-NH1 3.23Å
2L75.5Confident84.2Confident77 Ų7732.3 Ų32.340%0.40319%0.185SC..Hα-helixtrans-77-31.6-172.9-60.4177000115.5V4 E5 Y6 D33L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.46Å; L2-V4 VanDerWaalsContact O-N 3.16Å; L2-E5 PolarHBondContact O-N 3.18Å; L2-Y6 HydrophobicContact CB-CD2 3.88Å; L2-Y6 HydrophobicContact CB-CE2 3.99Å; L2-Y6 HydrophobicContact CD2-CE2 4.14Å; L2-Y6 HydrophobicContact CG-CE2 4.45Å; L2-Y6 VanDerWaalsContact O-CD2 3.32Å; L2-Y6 WeakPolarHBondContact O-CD2 3.42Å; L2-Y6 PolarHBondContact O-N 3.49Å; L2-D33 HydrophobicContact CD2-CB 3.46Å; L2-D33 VanDerWaalsContact CD2-CB 3.46Å; L2-D33 WeakPolarHBondContact CD2-OD1 3.38Å
3A79.1Confident84.6Confident79 Ų7930 Ų3065%0.65317%0.172SC*.Hα-helixtrans-60.5-30-172.200000115G7A3-G7 WeakPolarHBondContact O-CA 3.47Å; A3-G7 PolarHBondContact O-N 3.15Å
4V84.2Confident84.8Confident25 Ų2529.4 Ų29.415%0.15217%0.172CC..Hα-helixtrans-78.6-42.6-179.4173.80000110.8L2 G7 L8 Y84 V88 R91L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.46Å; L2-V4 VanDerWaalsContact O-N 3.16Å; V4-G7 PolarHBondContact O-N 3.43Å; V4-L8 PolarHBondContact O-N 3.2Å; V4-Y84 HydrophobicContact CB-CD1 4.39Å; V4-Y84 HydrophobicContact CG1-CD1 4.06Å; V4-Y84 WeakPolarHBondContact O-CD1 3.43Å; V4-V88 HydrophobicContact CG1-CG2 4.05Å; V4-R91 VanDerWaalsContact CG2-CZ 3.41Å; V4-R91 VanDerWaalsContact CG2-NH2 3.34Å
5E89.4Confident85Confident0 Ų027.7 Ų27.70%016%0.163CC..Hα-helixtrans-63.5-49.4177.2-70.2178.8-161.900111.4L2 G7 L8 I9 F31 S32 D33 A36 V88L2-E5 PolarHBondContact O-N 3.18Å; E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.61Å; E5-L8 PolarHBondContact O-N 2.97Å; E5-I9 WeakPolarHBondContact O-CG1 3.48Å; E5-I9 PolarHBondContact O-N 3.45Å; E5-I9 VanDerWaalsContact O-N 3.1Å; E5-F31 HydrophobicContact CB-CD1 3.84Å; E5-F31 HydrophobicContact CB-CE1 4.14Å; E5-F31 HydrophobicContact CG-CD1 3.77Å; E5-F31 HydrophobicContact CG-CE1 4.32Å; E5-S32 VanDerWaalsContact CD-N 3.35Å; E5-S32 WeakPolarHBondContact OE1-CB 3.24Å; E5-S32 PolarHBondContact OE1-N 2.74Å; E5-S32 PolarHBondContact OE1-OG 3Å; E5-S32 PolarHBondContact OE2-N 3.36Å; E5-D33 WeakPolarHBondContact OE2-CB 3.5Å; E5-D33 PolarHBondContact OE2-N 3.2Å; E5-A36 HydrophobicContact CB-CB 4.15Å; E5-V88 HydrophobicContact CG-CG2 4.08Å
6Y88.7Confident85.3Confident48 Ų4828.2 Ų28.219%0.18817%0.167CC..Hα-helixtrans-70-27.8176.6-72.8-64.5000112.5L2 I9 A10 D33 R35 A36 M69L2-Y6 HydrophobicContact CB-CD2 3.88Å; L2-Y6 HydrophobicContact CB-CE2 3.99Å; L2-Y6 HydrophobicContact CD2-CE2 4.14Å; L2-Y6 HydrophobicContact CG-CE2 4.45Å; L2-Y6 VanDerWaalsContact O-CD2 3.32Å; L2-Y6 WeakPolarHBondContact O-CD2 3.42Å; L2-Y6 PolarHBondContact O-N 3.49Å; Y6-I9 HydrophobicContact CD1-CD1 4.42Å; Y6-I9 PolarHBondContact O-N 3.41Å; Y6-A10 WeakPolarHBondContact O-CB 3.23Å; Y6-A10 PolarHBondContact O-N 3.09Å; Y6-D33 VanDerWaalsContact OH-CG 3.24Å; Y6-D33 PolarHBondContact OH-OD1 3.35Å; Y6-D33 PolarHBondContact OH-OD2 3.41Å; Y6-R35 PolarHBondContact OH-NE 2.66Å; Y6-R35 PolarHBondContact OH-NH2 2.96Å; Y6-A36 HydrophobicContact CD1-CB 4.48Å; Y6-A36 HydrophobicContact CE1-CB 4.18Å; Y6-M69 HydrophobicContact CD1-CE 3.38Å; Y6-M69 HydrophobicContact CD1-SD 3.89Å; Y6-M69 HydrophobicContact CE1-CE 4.32Å; Y6-M69 HydrophobicContact CE1-SD 4.33Å; Y6-M69 HydrophobicContact CG-CE 4.09Å; Y6-M69 WeakPolarHBondContact O-CE 3.37Å
7G87.7Confident85.4Confident8 Ų833.6 Ų33.68%0.08219%0.19CC..Hα-helixtrans-64.9-41.9172.100000112.7A3 V4 E5 A11A3-G7 WeakPolarHBondContact O-CA 3.47Å; A3-G7 PolarHBondContact O-N 3.15Å; V4-G7 PolarHBondContact O-N 3.43Å; E5-G7 VanDerWaalsContact C-N 3.3Å; E5-G7 PolarHBondContact O-N 2.61Å; G7-A11 WeakPolarHBondContact O-CB 3.39Å; G7-A11 PolarHBondContact O-N 3.27Å
8L91.6Very high85.6Confident0 Ų033.2 Ų33.20%019%0.186CC..Hα-helixtrans-61.2-51.1172.5-17756.2000111.1V4 E5 A10 A11 L12 I22 F31 I81 A85 V88V4-L8 PolarHBondContact O-N 3.2Å; E5-L8 PolarHBondContact O-N 2.97Å; L8-A10 PolarHBondContact O-N 3.45Å; L8-A11 PolarHBondContact O-N 2.9Å; L8-L12 HydrophobicContact CD1-CD1 3.94Å; L8-L12 HydrophobicContact CD1-CG 4.2Å; L8-L12 HydrophobicContact CG-CD1 3.85Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-I22 HydrophobicContact CD1-CD1 4.3Å; L8-I22 HydrophobicContact CD2-CD1 4.49Å; L8-F31 HydrophobicContact CD2-CE1 4.48Å; L8-F31 HydrophobicContact CD2-CZ 3.97Å; L8-I81 HydrophobicContact CD1-CG2 4.2Å; L8-A85 HydrophobicContact CD1-CB 4.29Å; L8-A85 HydrophobicContact CD2-CB 4.47Å; L8-V88 HydrophobicContact CB-CG2 4.43Å; L8-V88 HydrophobicContact CD2-CG2 3.92Å
9I91.4Very high85.9Confident0 Ų031.7 Ų31.70%018%0.178CC..Hα-helixtrans-60.4-47.2-179.5-69.5166.2000110.7E5 Y6 A11 L12 L13 F31 A36 I39 M69E5-I9 WeakPolarHBondContact O-CG1 3.48Å; E5-I9 PolarHBondContact O-N 3.45Å; E5-I9 VanDerWaalsContact O-N 3.1Å; Y6-I9 HydrophobicContact CD1-CD1 4.42Å; Y6-I9 PolarHBondContact O-N 3.41Å; I9-A11 VanDerWaalsContact C-N 3.3Å; I9-A11 PolarHBondContact O-N 3.36Å; I9-L12 PolarHBondContact O-N 3.26Å; I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.1Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 2.7Å; I9-F31 HydrophobicContact CD1-CE1 4.17Å; I9-F31 HydrophobicContact CG1-CE1 4.29Å; I9-A36 HydrophobicContact CD1-CB 3.49Å; I9-A36 VanDerWaalsContact CD1-CB 3.49Å; I9-A36 WeakPolarHBondContact CD1-O 3.45Å; I9-I39 HydrophobicContact CD1-CB 4.18Å; I9-I39 HydrophobicContact CD1-CD1 4.41Å; I9-I39 HydrophobicContact CD1-CG2 4.42Å; I9-I39 HydrophobicContact CG1-CG2 4.5Å; I9-I39 HydrophobicContact CG2-CB 4.33Å; I9-I39 HydrophobicContact CG2-CD1 4.39Å; I9-I39 HydrophobicContact CG2-CG2 3.51Å; I9-M69 HydrophobicContact CB-CE 3.78Å; I9-M69 HydrophobicContact CG2-CE 3.47Å; I9-M69 VanDerWaalsContact CG2-CE 3.47Å; I9-M69 HydrophobicContact CG2-SD 4.37Å
10A88.8Confident86Confident2 Ų237.3 Ų37.32%0.01720%0.197CC..Hα-helixtrans-57.3-43.7177.500000111.7Y6 L8 L13 A14 M69 Y72Y6-A10 WeakPolarHBondContact O-CB 3.23Å; Y6-A10 PolarHBondContact O-N 3.09Å; L8-A10 PolarHBondContact O-N 3.45Å; A10-L13 PolarHBondContact O-N 3.45Å; A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.06Å; A10-M69 HydrophobicContact CB-CE 4.42Å; A10-M69 WeakPolarHBondContact CB-O 3.42Å; A10-Y72 HydrophobicContact CB-CD2 4.18Å
11A89Confident86Confident0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-64.9-42.2178.700000112.2G7 L8 I9 A14 S15 W73 P76 I81G7-A11 WeakPolarHBondContact O-CB 3.39Å; G7-A11 PolarHBondContact O-N 3.27Å; L8-A11 PolarHBondContact O-N 2.9Å; I9-A11 VanDerWaalsContact C-N 3.3Å; I9-A11 PolarHBondContact O-N 3.36Å; A11-A14 PolarHBondContact O-N 2.94Å; A11-S15 PolarHBondContact O-N 2.96Å; A11-W73 HydrophobicContact CB-CG 4.5Å; A11-P76 HydrophobicContact CB-CB 3.95Å; A11-P76 HydrophobicContact CB-CG 3.91Å; A11-P76 VanDerWaalsContact O-CG 3.25Å; A11-P76 WeakPolarHBondContact O-CG 3.16Å; A11-I81 HydrophobicContact CB-CG1 4.09Å
12L91.5Very high87.7Confident0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-71.9-33178.1-64.4165.2000112.6L8 I9 A14 S15 P16 F19 I22 F40 M43 I81L8-L12 HydrophobicContact CD1-CD1 3.94Å; L8-L12 HydrophobicContact CD1-CG 4.2Å; L8-L12 HydrophobicContact CG-CD1 3.85Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.43Å; I9-L12 PolarHBondContact O-N 3.26Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-S15 CarbonylContact O-C 3.57Å; L12-P16 VanDerWaalsContact O-CA 3.22Å; L12-P16 WeakPolarHBondContact O-CA 3.32Å; L12-F19 HydrophobicContact CD1-CD2 4.24Å; L12-F19 HydrophobicContact CD1-CE2 4.39Å; L12-F19 HydrophobicContact CD2-CD2 4.19Å; L12-I22 HydrophobicContact CD1-CD1 3.41Å; L12-I22 VanDerWaalsContact CD1-CD1 3.41Å; L12-I22 HydrophobicContact CD2-CD1 3.84Å; L12-I22 HydrophobicContact CD2-CG1 4.25Å; L12-I22 HydrophobicContact CG-CD1 4.2Å; L12-F40 HydrophobicContact CD1-CD2 4.43Å; L12-F40 HydrophobicContact CD1-CE2 4.18Å; L12-M43 HydrophobicContact CB-CE 3.36Å; L12-M43 HydrophobicContact CB-SD 4.39Å; L12-M43 HydrophobicContact CD1-CE 4.46Å; L12-I81 HydrophobicContact CD2-CG2 4.02Å
13L89.7Confident88.3Confident3 Ų328.2 Ų28.22%0.01615%0.152CC..Hα-helixtrans-66.7-35172.9-72175.6000111.4I9 A10 M43 L52 I55 L66 M69 Q70I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.1Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 2.7Å; A10-L13 PolarHBondContact O-N 3.45Å; L13-M43 HydrophobicContact CD2-CE 4.02Å; L13-M43 HydrophobicContact CD2-SD 4.18Å; L13-M43 HydrophobicContact CG-CE 4.33Å; L13-M43 HydrophobicContact CG-SD 4.49Å; L13-L52 HydrophobicContact CD1-CD2 4.31Å; L13-L52 HydrophobicContact CD2-CD2 3.88Å; L13-I55 HydrophobicContact CD2-CD1 3.49Å; L13-I55 VanDerWaalsContact CD2-CD1 3.49Å; L13-L66 HydrophobicContact CD1-CD2 4.31Å; L13-M69 HydrophobicContact CD1-CB 4.03Å; L13-Q70 HydrophobicContact CB-CB 4.11Å; L13-Q70 HydrophobicContact CB-CG 4.33Å; L13-Q70 WeakPolarHBondContact O-CG 3.27Å; L13-Q70 PolarHBondContact O-NE2 2.94Å
14A86.8Confident88.5Confident21 Ų2127.5 Ų27.517%0.17415%0.152CC..Hα-helixtrans-73.6-33.3177.500000113.2A10 A11 L12 Q70 W73 P76A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.06Å; A11-A14 PolarHBondContact O-N 2.94Å; L12-A14 VanDerWaalsContact C-N 3.31Å; A14-Q70 HydrophobicContact CB-CG 4.39Å; A14-W73 HydrophobicContact CB-CB 3.71Å; A14-W73 WeakPolarHBondContact CB-O 3.48Å; A14-P76 HydrophobicContact CB-CG 4.34Å
15S88.5Confident88.8Confident4 Ų430.3 Ų30.33%0.02816%0.162CC..  trans-130.973.9175.3-86.20000111.6A11 L12 E17 K18A11-S15 PolarHBondContact O-N 2.96Å; L12-S15 CarbonylContact O-C 3.57Å; S15-E17 VanDerWaalsContact CA-OE2 3.26Å; S15-E17 WeakPolarHBondContact CA-OE2 3.32Å; S15-E17 WeakPolarHBondContact CB-OE1 3.47Å; S15-E17 PolarHBondContact O-N 3.27Å; S15-E17 PolarHBondContact OG-OE1 3.33Å; S15-K18 PolarHBondContact O-N 2.93Å; S15-K18 PolarHBondContact OG-NZ 3.46Å
16P88.8Confident88.9Confident36 Ų3630.3 Ų30.323%0.23416%0.162CC..G310 helixtrans-55.8-33.4-180-2636.2000113.6L12 K18 F19 I50L12-P16 VanDerWaalsContact O-CA 3.22Å; L12-P16 WeakPolarHBondContact O-CA 3.32Å; P16-K18 PolarHBondContact O-N 3.38Å; P16-K18 VanDerWaalsContact O-N 3.07Å; P16-F19 VanDerWaalsContact O-CB 3.31Å; P16-F19 WeakPolarHBondContact O-CB 3.28Å; P16-F19 PolarHBondContact O-N 2.67Å; P16-I50 HydrophobicContact CB-CB 3.87Å; P16-I50 HydrophobicContact CB-CG2 3.77Å; P16-I50 HydrophobicContact CG-CG2 4.25Å
17E86.9Confident89Confident120 Ų12032.7 Ų32.756%0.56117%0.174SC*.G310 helixtrans-61.8-16.4178.473.5-70.9168.900113.9S15 Y20S15-E17 VanDerWaalsContact CA-OE2 3.26Å; S15-E17 WeakPolarHBondContact CA-OE2 3.32Å; S15-E17 WeakPolarHBondContact CB-OE1 3.47Å; S15-E17 PolarHBondContact O-N 3.27Å; S15-E17 PolarHBondContact OG-OE1 3.33Å; E17-Y20 VanDerWaalsContact O-CD1 3.32Å; E17-Y20 WeakPolarHBondContact O-CD1 3.27Å
18K89.4Confident89.3Confident27 Ų2733 Ų3312%0.11717%0.174CC..G310 helixtrans-94.63.6179.2-62.9178.7-168.3141.10113.1S15 P16 Y20 L21 N75 P76 I81S15-K18 PolarHBondContact O-N 2.93Å; S15-K18 PolarHBondContact OG-NZ 3.46Å; P16-K18 PolarHBondContact O-N 3.38Å; P16-K18 VanDerWaalsContact O-N 3.07Å; K18-Y20 PolarHBondContact O-N 2.94Å; K18-L21 HydrophobicContact CB-CD1 3.98Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 WeakPolarHBondContact O-CG 3.47Å; K18-L21 PolarHBondContact O-N 3.22Å; K18-L21 VanDerWaalsContact O-N 3.08Å; K18-N75 PolarHBondContact NZ-OD1 3.31Å; K18-P76 PolarHBondContact NZ-O 3.01Å; K18-I81 HydrophobicContact CB-CD1 3.55Å; K18-I81 HydrophobicContact CD-CD1 3.63Å; K18-I81 HydrophobicContact CG-CD1 4.23Å
19F90.8Very high89.3Confident5 Ų537.8 Ų37.82%0.02220%0.196CC..G310 helixtrans-56.8-32177.6-167.8-94.1000112.3L12 P16 L21 I22 D23 F40 M43 Q44 I50L12-F19 HydrophobicContact CD1-CD2 4.24Å; L12-F19 HydrophobicContact CD1-CE2 4.39Å; L12-F19 HydrophobicContact CD2-CD2 4.19Å; P16-F19 VanDerWaalsContact O-CB 3.31Å; P16-F19 WeakPolarHBondContact O-CB 3.28Å; P16-F19 PolarHBondContact O-N 2.67Å; F19-L21 PolarHBondContact O-N 3.02Å; F19-I22 HydrophobicContact CE2-CD1 4.48Å; F19-I22 WeakPolarHBondContact O-CG1 3.43Å; F19-I22 PolarHBondContact O-N 3.48Å; F19-D23 HydrophobicContact CD1-CB 3.91Å; F19-D23 HydrophobicContact CE1-CB 3.92Å; F19-D23 PolarHBondContact O-N 3.35Å; F19-F40 HydrophobicContact CE2-CD2 4.39Å; F19-F40 AromaticContact CE2-CE2 3.82Å; F19-F40 HydrophobicContact CE2-CE2 3.82Å; F19-F40 HydrophobicContact CE2-CZ 4.21Å; F19-F40 HydrophobicContact CZ-CE2 4.15Å; F19-F40 HydrophobicContact CZ-CZ 4.06Å; F19-M43 HydrophobicContact CD2-CB 4.33Å; F19-M43 HydrophobicContact CD2-CE 4.39Å; F19-M43 HydrophobicContact CE2-CB 3.77Å; F19-M43 HydrophobicContact CZ-CB 4.36Å; F19-Q44 HydrophobicContact CZ-CB 4.05Å; F19-I50 HydrophobicContact CB-CD1 3.69Å; F19-I50 HydrophobicContact CD1-CD1 4.11Å; F19-I50 HydrophobicContact CD2-CD1 3.66Å; F19-I50 HydrophobicContact CE2-CD1 4.32Å; F19-I50 HydrophobicContact CG-CD1 3.54Å
20Y88.8Confident89.4Confident142 Ų14238.2 Ų38.256%0.55720%0.198SC*.G310 helixtrans-53.1-26175.685.6-87.9000114.2E17 K18 I22 E78E17-Y20 VanDerWaalsContact O-CD1 3.32Å; E17-Y20 WeakPolarHBondContact O-CD1 3.27Å; K18-Y20 PolarHBondContact O-N 2.94Å; Y20-I22 PolarHBondContact O-N 3.34Å; Y20-E78 PolarHBondContact OH-OE1 3.26Å
21L86.3Confident89.7Confident11 Ų1138.6 Ų38.66%0.05820%0.199CC..G310 helixtrans-61.9-32.7-179.8-68.9172.9000112.3K18 F19 K25 E78 I81 F122K18-L21 HydrophobicContact CB-CD1 3.98Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 WeakPolarHBondContact O-CG 3.47Å; K18-L21 PolarHBondContact O-N 3.22Å; K18-L21 VanDerWaalsContact O-N 3.08Å; F19-L21 PolarHBondContact O-N 3.02Å; L21-K25 WeakPolarHBondContact O-CD 3.38Å; L21-K25 PolarHBondContact O-NZ 3.32Å; L21-K25 VanDerWaalsContact O-NZ 3.1Å; L21-E78 HydrophobicContact CD1-CB 3.83Å; L21-E78 HydrophobicContact CD1-CG 3.85Å; L21-E78 HydrophobicContact CD2-CG 4.4Å; L21-I81 HydrophobicContact CD1-CB 4.35Å; L21-I81 HydrophobicContact CD1-CD1 4.11Å; L21-I81 HydrophobicContact CD1-CG2 4.29Å; L21-F122 WeakPolarHBondContact O-CE1 3.27Å
22I89.6Confident89.8Confident0 Ų040.6 Ų40.60%021%0.213CC..THydrogen-bonded Turntrans-120.8-6.7-172.962.7161.5000113.3L8 L12 F19 Y20 G24 K25 I26 F40 I81 A85 F122L8-I22 HydrophobicContact CD1-CD1 4.3Å; L8-I22 HydrophobicContact CD2-CD1 4.49Å; L12-I22 HydrophobicContact CD1-CD1 3.41Å; L12-I22 VanDerWaalsContact CD1-CD1 3.41Å; L12-I22 HydrophobicContact CD2-CD1 3.84Å; L12-I22 HydrophobicContact CD2-CG1 4.25Å; L12-I22 HydrophobicContact CG-CD1 4.2Å; F19-I22 HydrophobicContact CE2-CD1 4.48Å; F19-I22 WeakPolarHBondContact O-CG1 3.43Å; F19-I22 PolarHBondContact O-N 3.48Å; Y20-I22 PolarHBondContact O-N 3.34Å; I22-G24 PolarHBondContact O-N 2.78Å; I22-K25 WeakPolarHBondContact O-CB 3.33Å; I22-K25 PolarHBondContact O-N 2.83Å; I22-I26 HydrophobicContact CB-CG1 4.07Å; I22-I26 HydrophobicContact CD1-CG1 4.5Å; I22-I26 HydrophobicContact CG2-CG1 4.47Å; I22-I26 PolarHBondContact O-N 3.46Å; I22-I26 VanDerWaalsContact O-N 3.07Å; I22-F40 HydrophobicContact CD1-CE2 3.66Å; I22-F40 HydrophobicContact CD1-CZ 4.14Å; I22-I81 HydrophobicContact CG2-CG2 4.07Å; I22-A85 HydrophobicContact CG2-CB 3.81Å; I22-F122 HydrophobicContact CG2-CZ 4.25Å
23D87.1Confident89.8Confident61 Ų6141.7 Ų41.733%0.32622%0.219SC..THydrogen-bonded Turntrans-59.6137.6178.2-169.725.3000110.5F19 K25F19-D23 HydrophobicContact CD1-CB 3.91Å; F19-D23 HydrophobicContact CE1-CB 3.92Å; F19-D23 PolarHBondContact O-N 3.35Å; D23-K25 PolarHBondContact O-N 3.02Å
24G84.8Confident89.8Confident64 Ų6446.3 Ų46.366%0.6625%0.247SC*.THydrogen-bonded Turntrans68.7-15-170.900000116.2I22I22-G24 PolarHBondContact O-N 2.78Å
25K88.5Confident89.8Confident84 Ų8452.1 Ų52.137%0.36527%0.265SS..THydrogen-bonded Turntrans-94.4-44.4-177.5-63.3163.6172.3-179.90112.5L21 I22 D23 L121 F122L21-K25 WeakPolarHBondContact O-CD 3.38Å; L21-K25 PolarHBondContact O-NZ 3.32Å; L21-K25 VanDerWaalsContact O-NZ 3.1Å; I22-K25 WeakPolarHBondContact O-CB 3.33Å; I22-K25 PolarHBondContact O-N 2.83Å; D23-K25 PolarHBondContact O-N 3.02Å; K25-L121 HydrophobicContact CB-CD2 3.82Å; K25-L121 WeakPolarHBondContact CD-O 3.4Å; K25-L121 WeakPolarHBondContact CE-O 3.41Å; K25-L121 WeakPolarHBondContact O-CD2 3.4Å; K25-F122 HydrophobicContact CD-CD1 4.34Å; K25-F122 HydrophobicContact CD-CE1 4.14Å
26I91.5Very high89.9Confident1 Ų152 Ų521%0.00526%0.263CS..SBendtrans-93130.4175.5-65.3-75.5000109.5I22 Y30 F31 F40 A85 L121I22-I26 HydrophobicContact CB-CG1 4.07Å; I22-I26 HydrophobicContact CD1-CG1 4.5Å; I22-I26 HydrophobicContact CG2-CG1 4.47Å; I22-I26 PolarHBondContact O-N 3.46Å; I22-I26 VanDerWaalsContact O-N 3.07Å; I26-Y30 HydrophobicContact CD1-CD2 4.11Å; I26-Y30 HydrophobicContact CG2-CD2 4.28Å; I26-F31 HydrophobicContact CG2-CE2 3.74Å; I26-F31 HydrophobicContact CG2-CZ 4.3Å; I26-F40 HydrophobicContact CB-CE1 4.36Å; I26-F40 HydrophobicContact CB-CE2 4.49Å; I26-F40 HydrophobicContact CB-CZ 3.8Å; I26-F40 HydrophobicContact CG2-CE1 3.79Å; I26-F40 HydrophobicContact CG2-CE2 4.03Å; I26-F40 HydrophobicContact CG2-CZ 3.5Å; I26-F40 VanDerWaalsContact CG2-CZ 3.5Å; I26-A85 HydrophobicContact CD1-CB 4Å; I26-A85 HydrophobicContact CG1-CB 4.14Å; I26-L121 HydrophobicContact CD1-CD1 3.7Å; I26-L121 HydrophobicContact CD1-CD2 3.44Å; I26-L121 VanDerWaalsContact CD1-CD2 3.44Å; I26-L121 HydrophobicContact CD1-CG 4.2Å; I26-L121 HydrophobicContact CG1-CD2 3.84Å
27K92.2Very high90.1Very high98 Ų9853.5 Ų53.543%0.42627%0.266SS..  trans-103.7149175.5-60.7-178.9-176.4172.90111.3E29 Y30K27-E29 WeakPolarHBondContact CB-OE2 3.37Å; K27-E29 WeakPolarHBondContact CD-OE2 3.37Å; K27-E29 PolarHBondContact O-N 3.28Å; K27-E29 VanDerWaalsContact O-N 3.14Å; K27-Y30 HydrophobicContact CB-CD1 4.1Å; K27-Y30 HydrophobicContact CB-CD2 4.39Å; K27-Y30 HydrophobicContact CB-CE1 3.91Å; K27-Y30 HydrophobicContact CB-CE2 4.22Å; K27-Y30 HydrophobicContact CB-CG 4.33Å; K27-Y30 HydrophobicContact CD-CE1 4.12Å; K27-Y30 HydrophobicContact CG-CE1 4.25Å; K27-Y30 HydrophobicContact CG-CE2 4.31Å; K27-Y30 WeakPolarHBondContact O-CB 3.48Å; K27-Y30 PolarHBondContact O-N 3.25Å
28P93.1Very high90.2Very high14 Ų1451.8 Ų51.89%0.09126%0.257CS..G310 helixtrans-52.8-31.4172.2-29.737.1000114.3Y30 F31 K37 F40 E41P28-Y30 PolarHBondContact O-N 2.96Å; P28-F31 PolarHBondContact O-N 3.41Å; P28-K37 HydrophobicContact CB-CG 4.09Å; P28-K37 WeakPolarHBondContact O-CD 3.45Å; P28-K37 WeakPolarHBondContact O-CG 3.31Å; P28-F40 HydrophobicContact CG-CD1 4.26Å; P28-E41 HydrophobicContact CB-CG 3.58Å; P28-E41 HydrophobicContact CG-CG 3.6Å
29E92.6Very high90.2Very high100 Ų10050.8 Ų50.847%0.46725%0.253SS..G310 helixtrans-63.1-19.3176.8-52.997.8-127.200113.9K27 F31K27-E29 WeakPolarHBondContact CB-OE2 3.37Å; K27-E29 WeakPolarHBondContact CD-OE2 3.37Å; K27-E29 PolarHBondContact O-N 3.28Å; K27-E29 VanDerWaalsContact O-N 3.14Å; E29-F31 PolarHBondContact O-N 3.26Å
30Y93.9Very high90.3Very high10 Ų1050.6 Ų50.64%0.03925%0.252CS..G310 helixtrans-74.9-16-177.9-58.9-8.8000112.8I26 K27 P28 L89 Y92 R95I26-Y30 HydrophobicContact CD1-CD2 4.11Å; I26-Y30 HydrophobicContact CG2-CD2 4.28Å; K27-Y30 HydrophobicContact CB-CD1 4.1Å; K27-Y30 HydrophobicContact CB-CD2 4.39Å; K27-Y30 HydrophobicContact CB-CE1 3.91Å; K27-Y30 HydrophobicContact CB-CE2 4.22Å; K27-Y30 HydrophobicContact CB-CG 4.33Å; K27-Y30 HydrophobicContact CD-CE1 4.12Å; K27-Y30 HydrophobicContact CG-CE1 4.25Å; K27-Y30 HydrophobicContact CG-CE2 4.31Å; K27-Y30 WeakPolarHBondContact O-CB 3.48Å; K27-Y30 PolarHBondContact O-N 3.25Å; P28-Y30 PolarHBondContact O-N 2.96Å; Y30-L89 HydrophobicContact CD2-CD1 4.19Å; Y30-L89 HydrophobicContact CE2-CD1 3.89Å; Y30-Y92 AromaticContact CD1-CD1 3.51Å; Y30-Y92 HydrophobicContact CD1-CD1 3.51Å; Y30-Y92 AromaticContact CD1-CD2 3.66Å; Y30-Y92 HydrophobicContact CD1-CD2 3.66Å; Y30-Y92 AromaticContact CD1-CE1 3.69Å; Y30-Y92 HydrophobicContact CD1-CE1 3.69Å; Y30-Y92 AromaticContact CD1-CE2 3.82Å; Y30-Y92 HydrophobicContact CD1-CE2 3.82Å; Y30-Y92 AromaticContact CD1-CG 3.48Å; Y30-Y92 HydrophobicContact CD1-CG 3.48Å; Y30-Y92 VanDerWaalsContact CD1-CG 3.48Å; Y30-Y92 AromaticContact CD1-CZ 3.82Å; Y30-Y92 AromaticContact CE1-CD1 3.7Å; Y30-Y92 HydrophobicContact CE1-CD1 3.7Å; Y30-Y92 HydrophobicContact CE1-CD2 4.45Å; Y30-Y92 AromaticContact CE1-CE1 3.5Å; Y30-Y92 HydrophobicContact CE1-CE1 3.5Å; Y30-Y92 HydrophobicContact CE1-CE2 4.27Å; Y30-Y92 HydrophobicContact CE1-CG 4.17Å; Y30-Y92 AromaticContact CE1-CZ 3.8Å; Y30-Y92 HydrophobicContact CG-CD1 4.2Å; Y30-Y92 HydrophobicContact CG-CD2 4.39Å; Y30-Y92 AromaticContact CG-CG 4Å; Y30-Y92 HydrophobicContact CG-CG 4Å; Y30-R95 PolarHBondContact O-NH2 2.8Å
31F93.6Very high90.4Very high10 Ų1046.8 Ų46.84%0.04424%0.24CC..  trans-84.7130.8176.9-67.1-96.6000111.2E5 L8 I9 I26 P28 E29 A36 K37 F40 V88E5-F31 HydrophobicContact CB-CD1 3.84Å; E5-F31 HydrophobicContact CB-CE1 4.14Å; E5-F31 HydrophobicContact CG-CD1 3.77Å; E5-F31 HydrophobicContact CG-CE1 4.32Å; L8-F31 HydrophobicContact CD2-CE1 4.48Å; L8-F31 HydrophobicContact CD2-CZ 3.97Å; I9-F31 HydrophobicContact CD1-CE1 4.17Å; I9-F31 HydrophobicContact CG1-CE1 4.29Å; I26-F31 HydrophobicContact CG2-CE2 3.74Å; I26-F31 HydrophobicContact CG2-CZ 4.3Å; P28-F31 PolarHBondContact O-N 3.41Å; E29-F31 PolarHBondContact O-N 3.26Å; F31-A36 HydrophobicContact CD1-CB 3.81Å; F31-A36 HydrophobicContact CE1-CB 4.47Å; F31-K37 HydrophobicContact CB-CB 3.88Å; F31-F40 HydrophobicContact CD2-CB 4.34Å; F31-F40 HydrophobicContact CD2-CD1 4.41Å; F31-F40 HydrophobicContact CD2-CG 4.33Å; F31-F40 HydrophobicContact CE1-CB 4.5Å; F31-F40 HydrophobicContact CE2-CB 3.77Å; F31-F40 AromaticContact CE2-CD1 3.65Å; F31-F40 HydrophobicContact CE2-CD1 3.65Å; F31-F40 AromaticContact CE2-CD2 3.78Å; F31-F40 HydrophobicContact CE2-CD2 3.78Å; F31-F40 HydrophobicContact CE2-CE1 4.2Å; F31-F40 HydrophobicContact CE2-CE2 4.31Å; F31-F40 AromaticContact CE2-CG 3.42Å; F31-F40 HydrophobicContact CE2-CG 3.42Å; F31-F40 VanDerWaalsContact CE2-CG 3.42Å; F31-F40 HydrophobicContact CZ-CB 3.85Å; F31-F40 HydrophobicContact CZ-CD1 4.31Å; F31-F40 AromaticContact CZ-CD2 3.59Å; F31-F40 HydrophobicContact CZ-CD2 3.59Å; F31-F40 HydrophobicContact CZ-CE2 4.23Å; F31-F40 AromaticContact CZ-CG 3.63Å; F31-F40 HydrophobicContact CZ-CG 3.63Å; F31-V88 HydrophobicContact CE1-CG1 4.48Å; F31-V88 HydrophobicContact CE1-CG2 4.44Å; F31-V88 HydrophobicContact CE2-CG1 4.41Å; F31-V88 HydrophobicContact CZ-CG1 4.4Å
32S91.8Very high90.6Very high42 Ų4246.3 Ų46.329%0.29424%0.237SC..SBendtrans-82.8-32.917462.70000112.5E5E5-S32 VanDerWaalsContact CD-N 3.35Å; E5-S32 WeakPolarHBondContact OE1-CB 3.24Å; E5-S32 PolarHBondContact OE1-N 2.74Å; E5-S32 PolarHBondContact OE1-OG 3Å; E5-S32 PolarHBondContact OE2-N 3.36Å
33D91Very high90.6Very high23 Ų2346.3 Ų46.312%0.12324%0.237CC..SBendtrans-84.5128.2178.7-174.995000111.6L2 E5 Y6 R35 A36 K37L2-D33 HydrophobicContact CD2-CB 3.46Å; L2-D33 VanDerWaalsContact CD2-CB 3.46Å; L2-D33 WeakPolarHBondContact CD2-OD1 3.38Å; E5-D33 WeakPolarHBondContact OE2-CB 3.5Å; E5-D33 PolarHBondContact OE2-N 3.2Å; Y6-D33 VanDerWaalsContact OH-CG 3.24Å; Y6-D33 PolarHBondContact OH-OD1 3.35Å; Y6-D33 PolarHBondContact OH-OD2 3.41Å; D33-R35 VanDerWaalsContact C-N 3.26Å; D33-R35 PolarHBondContact O-N 3.5Å; D33-R35 IonicContact OD1-NE 3.62Å; D33-R35 IonicContact OD1-NH2 2.67Å; D33-R35 WeakPolarHBondContact OD2-CA 3.36Å; D33-R35 VanDerWaalsContact OD2-CB 3.25Å; D33-R35 WeakPolarHBondContact OD2-CB 3.49Å; D33-R35 PolarHBondContact OD2-N 3.34Å; D33-R35 IonicContact OD2-NE 3.74Å; D33-A36 HydrophobicContact CB-CB 3.91Å; D33-A36 PolarHBondContact O-N 2.87Å; D33-A36 PolarHBondContact OD2-N 3.37Å; D33-K37 WeakPolarHBondContact O-CB 3.34Å; D33-K37 PolarHBondContact O-N 3.11Å
34V90Very high90.8Very high99 Ų9946.2 Ų46.260%0.623%0.234SC*.Hα-helixtrans-62-33.5-177.7179.70000112.1K38V34-K38 VanDerWaalsContact O-CG 3.3Å; V34-K38 WeakPolarHBondContact O-CG 3.4Å; V34-K38 PolarHBondContact O-N 2.79Å
35R87.5Confident90.9Very high144 Ų14446.9 Ų46.954%0.54323%0.229SC..Hα-helixtrans-76.8-43.8179.3-60.7171-71.8-174.8-2.8110.6Y6 D33 K37 K38 I39Y6-R35 PolarHBondContact OH-NE 2.66Å; Y6-R35 PolarHBondContact OH-NH2 2.96Å; D33-R35 VanDerWaalsContact C-N 3.26Å; D33-R35 PolarHBondContact O-N 3.5Å; D33-R35 IonicContact OD1-NE 3.62Å; D33-R35 IonicContact OD1-NH2 2.67Å; D33-R35 WeakPolarHBondContact OD2-CA 3.36Å; D33-R35 VanDerWaalsContact OD2-CB 3.25Å; D33-R35 WeakPolarHBondContact OD2-CB 3.49Å; D33-R35 PolarHBondContact OD2-N 3.34Å; D33-R35 IonicContact OD2-NE 3.74Å; R35-K37 VanDerWaalsContact C-N 3.3Å; R35-K37 PolarHBondContact O-N 2.58Å; R35-K38 PolarHBondContact O-N 2.96Å; R35-I39 WeakPolarHBondContact O-CG1 3.46Å; R35-I39 PolarHBondContact O-N 3.21Å
36A89Confident90.7Very high0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-57.3-46.6175.600000111.2E5 Y6 I9 F31 D33 K38 I39 F40E5-A36 HydrophobicContact CB-CB 4.15Å; Y6-A36 HydrophobicContact CD1-CB 4.48Å; Y6-A36 HydrophobicContact CE1-CB 4.18Å; I9-A36 HydrophobicContact CD1-CB 3.49Å; I9-A36 VanDerWaalsContact CD1-CB 3.49Å; I9-A36 WeakPolarHBondContact CD1-O 3.45Å; F31-A36 HydrophobicContact CD1-CB 3.81Å; F31-A36 HydrophobicContact CE1-CB 4.47Å; D33-A36 HydrophobicContact CB-CB 3.91Å; D33-A36 PolarHBondContact O-N 2.87Å; D33-A36 PolarHBondContact OD2-N 3.37Å; A36-K38 PolarHBondContact O-N 3.27Å; A36-I39 PolarHBondContact O-N 3.4Å; A36-F40 PolarHBondContact O-N 3.25Å
37K93.1Very high89.9Confident68 Ų6849.9 Ų49.930%0.29625%0.245SC..Hα-helixtrans-53.3-51.7173.6179.7169.7176.1172.10112.3P28 F31 D33 R35 I39 F40 E41P28-K37 HydrophobicContact CB-CG 4.09Å; P28-K37 WeakPolarHBondContact O-CD 3.45Å; P28-K37 WeakPolarHBondContact O-CG 3.31Å; F31-K37 HydrophobicContact CB-CB 3.88Å; D33-K37 WeakPolarHBondContact O-CB 3.34Å; D33-K37 PolarHBondContact O-N 3.11Å; R35-K37 VanDerWaalsContact C-N 3.3Å; R35-K37 PolarHBondContact O-N 2.58Å; K37-I39 PolarHBondContact O-N 2.97Å; K37-F40 PolarHBondContact O-N 3.5Å; K37-E41 WeakPolarHBondContact CE-OE1 3.27Å; K37-E41 HydrophobicContact CG-CG 4.47Å; K37-E41 WeakPolarHBondContact O-CG 3.32Å; K37-E41 PolarHBondContact O-N 3.33Å
38K90.1Very high89Confident84 Ų8452.9 Ų52.937%0.36527%0.266SS..Hα-helixtrans-60.5-42.3179.1-76.2178.7177.7-167.50112.9V34 R35 A36 F40 E41 A42 Q59V34-K38 VanDerWaalsContact O-CG 3.3Å; V34-K38 WeakPolarHBondContact O-CG 3.4Å; V34-K38 PolarHBondContact O-N 2.79Å; R35-K38 PolarHBondContact O-N 2.96Å; A36-K38 PolarHBondContact O-N 3.27Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-E41 PolarHBondContact O-N 3.07Å; K38-A42 PolarHBondContact O-N 3.21Å; K38-Q59 HydrophobicContact CB-CB 4.32Å; K38-Q59 HydrophobicContact CB-CG 4.07Å; K38-Q59 WeakPolarHBondContact O-CG 3.35Å
39I89.9Confident88.4Confident7 Ų758 Ų584%0.03629%0.293CS..Hα-helixtrans-61.1-47.4177.1-64.4162.2000109.7I9 R35 A36 K37 E41 A42 M43 I55 L61 L66 M69I9-I39 HydrophobicContact CD1-CB 4.18Å; I9-I39 HydrophobicContact CD1-CD1 4.41Å; I9-I39 HydrophobicContact CD1-CG2 4.42Å; I9-I39 HydrophobicContact CG1-CG2 4.5Å; I9-I39 HydrophobicContact CG2-CB 4.33Å; I9-I39 HydrophobicContact CG2-CD1 4.39Å; I9-I39 HydrophobicContact CG2-CG2 3.51Å; R35-I39 WeakPolarHBondContact O-CG1 3.46Å; R35-I39 PolarHBondContact O-N 3.21Å; A36-I39 PolarHBondContact O-N 3.4Å; K37-I39 PolarHBondContact O-N 2.97Å; I39-E41 PolarHBondContact O-N 2.75Å; I39-A42 WeakPolarHBondContact O-CB 3.49Å; I39-A42 PolarHBondContact O-N 2.78Å; I39-M43 HydrophobicContact CG2-CG 4.48Å; I39-M43 HydrophobicContact CG2-SD 4.08Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.47Å; I39-M43 PolarHBondContact O-N 2.84Å; I39-I55 HydrophobicContact CG2-CG2 4.19Å; I39-L61 HydrophobicContact CD1-CD1 4.49Å; I39-L61 HydrophobicContact CG1-CD1 3.48Å; I39-L61 VanDerWaalsContact CG1-CD1 3.48Å; I39-L66 HydrophobicContact CD1-CD2 3.8Å; I39-L66 HydrophobicContact CG1-CD2 3.93Å; I39-L66 HydrophobicContact CG2-CD2 4.23Å; I39-M69 HydrophobicContact CD1-SD 4.35Å
40F92.2Very high87.8Confident0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-62.4-42.4179-170.3-96.4000112.6L12 F19 I22 I26 P28 F31 A36 K37 K38 A42 M43 Q44L12-F40 HydrophobicContact CD1-CD2 4.43Å; L12-F40 HydrophobicContact CD1-CE2 4.18Å; F19-F40 HydrophobicContact CE2-CD2 4.39Å; F19-F40 AromaticContact CE2-CE2 3.82Å; F19-F40 HydrophobicContact CE2-CE2 3.82Å; F19-F40 HydrophobicContact CE2-CZ 4.21Å; F19-F40 HydrophobicContact CZ-CE2 4.15Å; F19-F40 HydrophobicContact CZ-CZ 4.06Å; I22-F40 HydrophobicContact CD1-CE2 3.66Å; I22-F40 HydrophobicContact CD1-CZ 4.14Å; I26-F40 HydrophobicContact CB-CE1 4.36Å; I26-F40 HydrophobicContact CB-CE2 4.49Å; I26-F40 HydrophobicContact CB-CZ 3.8Å; I26-F40 HydrophobicContact CG2-CE1 3.79Å; I26-F40 HydrophobicContact CG2-CE2 4.03Å; I26-F40 HydrophobicContact CG2-CZ 3.5Å; I26-F40 VanDerWaalsContact CG2-CZ 3.5Å; P28-F40 HydrophobicContact CG-CD1 4.26Å; F31-F40 HydrophobicContact CD2-CB 4.34Å; F31-F40 HydrophobicContact CD2-CD1 4.41Å; F31-F40 HydrophobicContact CD2-CG 4.33Å; F31-F40 HydrophobicContact CE1-CB 4.5Å; F31-F40 HydrophobicContact CE2-CB 3.77Å; F31-F40 AromaticContact CE2-CD1 3.65Å; F31-F40 HydrophobicContact CE2-CD1 3.65Å; F31-F40 AromaticContact CE2-CD2 3.78Å; F31-F40 HydrophobicContact CE2-CD2 3.78Å; F31-F40 HydrophobicContact CE2-CE1 4.2Å; F31-F40 HydrophobicContact CE2-CE2 4.31Å; F31-F40 AromaticContact CE2-CG 3.42Å; F31-F40 HydrophobicContact CE2-CG 3.42Å; F31-F40 VanDerWaalsContact CE2-CG 3.42Å; F31-F40 HydrophobicContact CZ-CB 3.85Å; F31-F40 HydrophobicContact CZ-CD1 4.31Å; F31-F40 AromaticContact CZ-CD2 3.59Å; F31-F40 HydrophobicContact CZ-CD2 3.59Å; F31-F40 HydrophobicContact CZ-CE2 4.23Å; F31-F40 AromaticContact CZ-CG 3.63Å; F31-F40 HydrophobicContact CZ-CG 3.63Å; A36-F40 PolarHBondContact O-N 3.25Å; K37-F40 PolarHBondContact O-N 3.5Å; K38-F40 VanDerWaalsContact C-N 3.33Å; F40-A42 VanDerWaalsContact C-N 3.31Å; F40-A42 PolarHBondContact O-N 3.37Å; F40-M43 PolarHBondContact O-N 3.1Å; F40-Q44 WeakPolarHBondContact O-CB 3.3Å; F40-Q44 PolarHBondContact O-N 3.03Å
41E91.5Very high87.3Confident63 Ų6356.1 Ų56.129%0.29429%0.286SS..Hα-helixtrans-58.4-42.4173.9-74.4171.217200112P28 K37 K38 I39 Q44 S45P28-E41 HydrophobicContact CB-CG 3.58Å; P28-E41 HydrophobicContact CG-CG 3.6Å; K37-E41 WeakPolarHBondContact CE-OE1 3.27Å; K37-E41 HydrophobicContact CG-CG 4.47Å; K37-E41 WeakPolarHBondContact O-CG 3.32Å; K37-E41 PolarHBondContact O-N 3.33Å; K38-E41 PolarHBondContact O-N 3.07Å; I39-E41 PolarHBondContact O-N 2.75Å; E41-Q44 PolarHBondContact O-N 2.9Å; E41-S45 PolarHBondContact O-N 3.07Å
42A89.5Confident86.7Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-64.4-42.6176.100000111.7K38 I39 F40 S45 L46 I55 T58 Q59K38-A42 PolarHBondContact O-N 3.21Å; I39-A42 WeakPolarHBondContact O-CB 3.49Å; I39-A42 PolarHBondContact O-N 2.78Å; F40-A42 VanDerWaalsContact C-N 3.31Å; F40-A42 PolarHBondContact O-N 3.37Å; A42-S45 PolarHBondContact O-N 3.49Å; A42-S45 PolarHBondContact O-OG 2.86Å; A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 3.24Å; A42-I55 HydrophobicContact CB-CB 4.42Å; A42-I55 HydrophobicContact CB-CG1 4.47Å; A42-I55 HydrophobicContact CB-CG2 4Å; A42-T58 HydrophobicContact CB-CG2 4.13Å; A42-Q59 HydrophobicContact CB-CG 3.95Å
43M90.5Very high86.2Confident0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-61.7-45.5175.7-64.717682.600111.4L12 L13 F19 I39 F40 S45 L46 Q47 I50 I55L12-M43 HydrophobicContact CB-CE 3.36Å; L12-M43 HydrophobicContact CB-SD 4.39Å; L12-M43 HydrophobicContact CD1-CE 4.46Å; L13-M43 HydrophobicContact CD2-CE 4.02Å; L13-M43 HydrophobicContact CD2-SD 4.18Å; L13-M43 HydrophobicContact CG-CE 4.33Å; L13-M43 HydrophobicContact CG-SD 4.49Å; F19-M43 HydrophobicContact CD2-CB 4.33Å; F19-M43 HydrophobicContact CD2-CE 4.39Å; F19-M43 HydrophobicContact CE2-CB 3.77Å; F19-M43 HydrophobicContact CZ-CB 4.36Å; I39-M43 HydrophobicContact CG2-CG 4.48Å; I39-M43 HydrophobicContact CG2-SD 4.08Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.47Å; I39-M43 PolarHBondContact O-N 2.84Å; F40-M43 PolarHBondContact O-N 3.1Å; M43-S45 VanDerWaalsContact C-N 3.27Å; M43-S45 PolarHBondContact O-N 3.27Å; M43-L46 PolarHBondContact O-N 2.98Å; M43-L46 VanDerWaalsContact O-N 3.1Å; M43-Q47 PolarHBondContact O-N 3.45Å; M43-I50 HydrophobicContact CB-CD1 4.11Å; M43-I50 HydrophobicContact CB-CG1 4.33Å; M43-I50 HydrophobicContact CE-CD1 4.44Å; M43-I50 HydrophobicContact CE-CG2 3.85Å; M43-I50 HydrophobicContact CG-CG2 4.29Å; M43-I50 WeakPolarHBondContact O-CG1 2.94Å; M43-I55 HydrophobicContact CG-CD1 3.71Å; M43-I55 HydrophobicContact CG-CG1 4.28Å
44Q89.8Confident85.8Confident59 Ų5959.1 Ų59.128%0.27630%0.303SS..Hα-helixtrans-61.3-35.8177.2-171.4171.148.100112.4F19 F40 E41 L46 Q47F19-Q44 HydrophobicContact CZ-CB 4.05Å; F40-Q44 WeakPolarHBondContact O-CB 3.3Å; F40-Q44 PolarHBondContact O-N 3.03Å; E41-Q44 PolarHBondContact O-N 2.9Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.44Å; Q44-Q47 VanDerWaalsContact O-CG 3.26Å; Q44-Q47 WeakPolarHBondContact O-CG 3.38Å
45S86.7Confident85.4Confident78 Ų7854.4 Ų54.455%0.54527%0.274SS..Hα-helixtrans-70.6-25.5176.372.90000114.1E41 A42 M43E41-S45 PolarHBondContact O-N 3.07Å; A42-S45 PolarHBondContact O-N 3.49Å; A42-S45 PolarHBondContact O-OG 2.86Å; M43-S45 VanDerWaalsContact C-N 3.27Å; M43-S45 PolarHBondContact O-N 3.27Å
46L84.7Confident85.1Confident37 Ų3748.1 Ų48.119%0.19425%0.253CS..Hα-helixtrans-90.7-22.9-178.7-69169.5000112.8A42 M43 Q44 D48 D49 I50 D54 I55A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 3.24Å; M43-L46 PolarHBondContact O-N 2.98Å; M43-L46 VanDerWaalsContact O-N 3.1Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.44Å; L46-D48 PolarHBondContact O-N 3.1Å; L46-D49 PolarHBondContact O-N 3.01Å; L46-I50 HydrophobicContact CB-CG1 3.95Å; L46-D54 HydrophobicContact CD1-CB 4.04Å; L46-D54 HydrophobicContact CD2-CB 4.07Å; L46-I55 HydrophobicContact CD1-CG1 3.62Å
47Q75.7Confident84.6Confident111 Ų11155.3 Ų55.352%0.51928%0.284SS..G310 helixtrans49.2-100.8178.7-62-169.8-43.100113.8M43 Q44 I50M43-Q47 PolarHBondContact O-N 3.45Å; Q44-Q47 VanDerWaalsContact O-CG 3.26Å; Q44-Q47 WeakPolarHBondContact O-CG 3.38Å; Q47-I50 WeakPolarHBondContact O-CD1 3.41Å; Q47-I50 WeakPolarHBondContact O-CG1 3.39Å
48D73Confident83.9Confident161 Ų16155.4 Ų55.486%0.86129%0.291SS*.G310 helixtrans-81-18.3-177.3-64.7-35000112.8L46L46-D48 PolarHBondContact O-N 3.1Å
49D79.5Confident83.3Confident123 Ų12354 Ų5466%0.65829%0.285SS*.G310 helixtrans-102.925.5-176-73.4-36.4000112.8L46 N51L46-D49 PolarHBondContact O-N 3.01Å; D49-N51 PolarHBondContact O-N 3.21Å; D49-N51 PolarHBondContact O-ND2 3.31Å
50I79.9Confident82.7Confident13 Ų1360.9 Ų60.97%0.06732%0.323CS..  trans-57.9107.3179.4-69.2166.9000109.9P16 F19 M43 L46 Q47 I55P16-I50 HydrophobicContact CB-CB 3.87Å; P16-I50 HydrophobicContact CB-CG2 3.77Å; P16-I50 HydrophobicContact CG-CG2 4.25Å; F19-I50 HydrophobicContact CB-CD1 3.69Å; F19-I50 HydrophobicContact CD1-CD1 4.11Å; F19-I50 HydrophobicContact CD2-CD1 3.66Å; F19-I50 HydrophobicContact CE2-CD1 4.32Å; F19-I50 HydrophobicContact CG-CD1 3.54Å; M43-I50 HydrophobicContact CB-CD1 4.11Å; M43-I50 HydrophobicContact CB-CG1 4.33Å; M43-I50 HydrophobicContact CE-CD1 4.44Å; M43-I50 HydrophobicContact CE-CG2 3.85Å; M43-I50 HydrophobicContact CG-CG2 4.29Å; M43-I50 WeakPolarHBondContact O-CG1 2.94Å; L46-I50 HydrophobicContact CB-CG1 3.95Å; Q47-I50 WeakPolarHBondContact O-CD1 3.41Å; Q47-I50 WeakPolarHBondContact O-CG1 3.39Å; I50-I55 HydrophobicContact CG2-CD1 3.97Å
51N84.3Confident82Confident56 Ų5662.3 Ų62.330%0.29933%0.33SS..  trans-136.7144.2175.97275.7000110.8D49 P53 D54 I55D49-N51 PolarHBondContact O-N 3.21Å; D49-N51 PolarHBondContact O-ND2 3.31Å; N51-P53 WeakPolarHBondContact OD1-CD 3.34Å; N51-D54 PolarHBondContact ND2-OD2 3.4Å; N51-D54 PolarHBondContact O-N 3Å; N51-D54 VanDerWaalsContact OD1-CB 3.32Å; N51-D54 WeakPolarHBondContact OD1-CB 3.49Å; N51-D54 PolarHBondContact OD1-N 3.05Å; N51-D54 PolarHBondContact OD1-OD2 3.16Å; N51-I55 WeakPolarHBondContact O-CG1 3.11Å; N51-I55 PolarHBondContact O-N 3.03Å; N51-I55 VanDerWaalsContact O-N 3.1Å
52L82Confident81.5Confident25 Ų2563.9 Ų63.913%0.13135%0.346CS..Hα-helixtrans-56-45.8-174.5-76.9165.3000114L13 D54 I55 A56 L63 L66 M67 Q70L13-L52 HydrophobicContact CD1-CD2 4.31Å; L13-L52 HydrophobicContact CD2-CD2 3.88Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.49Å; L52-I55 PolarHBondContact O-N 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.22Å; L52-L63 HydrophobicContact CB-CD1 3.91Å; L52-L66 HydrophobicContact CD2-CB 3.39Å; L52-L66 HydrophobicContact CD2-CD1 4.41Å; L52-L66 HydrophobicContact CD2-CG 4.47Å; L52-M67 HydrophobicContact CD1-CG 4.17Å; L52-Q70 HydrophobicContact CD1-CB 4.44Å
53P80.9Confident80.9Confident62 Ų6267.2 Ų67.240%0.40336%0.363SS..Hα-helixtrans-58.2-40.7178.2-26.735.2000113.6N51 A56 K57N51-P53 WeakPolarHBondContact OD1-CD 3.34Å; P53-A56 PolarHBondContact O-N 3.19Å; P53-K57 WeakPolarHBondContact O-CG 3.33Å; P53-K57 PolarHBondContact O-N 3.44Å; P53-K57 VanDerWaalsContact O-N 3.09Å
54D81.7Confident80.1Confident51 Ų5172.8 Ų72.827%0.27339%0.392SS..Hα-helixtrans-77.3-36-176.9-66.5-22000111.5L46 N51 L52 A56 K57 T58L46-D54 HydrophobicContact CD1-CB 4.04Å; L46-D54 HydrophobicContact CD2-CB 4.07Å; N51-D54 PolarHBondContact ND2-OD2 3.4Å; N51-D54 PolarHBondContact O-N 3Å; N51-D54 VanDerWaalsContact OD1-CB 3.32Å; N51-D54 WeakPolarHBondContact OD1-CB 3.49Å; N51-D54 PolarHBondContact OD1-N 3.05Å; N51-D54 PolarHBondContact OD1-OD2 3.16Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 3.49Å; D54-A56 VanDerWaalsContact C-N 3.3Å; D54-A56 PolarHBondContact O-N 3.44Å; D54-K57 PolarHBondContact O-N 2.96Å; D54-K57 IonicContact OD1-NZ 3.99Å; D54-K57 PolarHBondContact OD1-NZ 2.93Å; D54-T58 WeakPolarHBondContact O-CB 2.86Å; D54-T58 PolarHBondContact O-N 3.43Å; D54-T58 PolarHBondContact O-OG1 2.68Å
55I81.1Confident79.6Confident0 Ų071.3 Ų71.30%039%0.393CS..Hα-helixtrans-56.8-46.1168.8-64.1168.4000110.9L13 I39 A42 M43 L46 I50 N51 L52 K57 T58 L61 L66L13-I55 HydrophobicContact CD2-CD1 3.49Å; L13-I55 VanDerWaalsContact CD2-CD1 3.49Å; I39-I55 HydrophobicContact CG2-CG2 4.19Å; A42-I55 HydrophobicContact CB-CB 4.42Å; A42-I55 HydrophobicContact CB-CG1 4.47Å; A42-I55 HydrophobicContact CB-CG2 4Å; M43-I55 HydrophobicContact CG-CD1 3.71Å; M43-I55 HydrophobicContact CG-CG1 4.28Å; L46-I55 HydrophobicContact CD1-CG1 3.62Å; I50-I55 HydrophobicContact CG2-CD1 3.97Å; N51-I55 WeakPolarHBondContact O-CG1 3.11Å; N51-I55 PolarHBondContact O-N 3.03Å; N51-I55 VanDerWaalsContact O-N 3.1Å; L52-I55 PolarHBondContact O-N 3.25Å; I55-K57 VanDerWaalsContact C-N 3.31Å; I55-K57 PolarHBondContact O-N 2.98Å; I55-T58 PolarHBondContact O-N 3.33Å; I55-L61 HydrophobicContact CG2-CD1 4.49Å; I55-L66 HydrophobicContact CB-CD1 4.19Å; I55-L66 HydrophobicContact CG2-CD1 3.72Å; I55-L66 HydrophobicContact CG2-CD2 4.44Å
56A81.2Confident79.3Confident12 Ų1267.8 Ų67.810%0.09937%0.368CS..Hα-helixtrans-60.2-41.3179.300000111.8L52 P53 D54 N60 L61 L63 L66L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.22Å; P53-A56 PolarHBondContact O-N 3.19Å; D54-A56 VanDerWaalsContact C-N 3.3Å; D54-A56 PolarHBondContact O-N 3.44Å; A56-N60 CarbonylContact O-C 3.55Å; A56-N60 VanDerWaalsContact O-CA 3.28Å; A56-N60 WeakPolarHBondContact O-CA 3.42Å; A56-N60 PolarHBondContact O-N 2.97Å; A56-N60 VanDerWaalsContact O-N 3.08Å; A56-L61 PolarHBondContact O-N 3.16Å; A56-L63 HydrophobicContact CB-CB 4.15Å; A56-L63 HydrophobicContact CB-CD1 4.03Å; A56-L66 HydrophobicContact CB-CD1 4Å
57K80.2Confident79Confident151 Ų15170.8 Ų70.866%0.65738%0.382SS*.Hα-helixtrans-69.1-47.6177.8-71170.9-162.4155.30112.5P53 D54 I55 Q59 N60P53-K57 WeakPolarHBondContact O-CG 3.33Å; P53-K57 PolarHBondContact O-N 3.44Å; P53-K57 VanDerWaalsContact O-N 3.09Å; D54-K57 PolarHBondContact O-N 2.96Å; D54-K57 IonicContact OD1-NZ 3.99Å; D54-K57 PolarHBondContact OD1-NZ 2.93Å; I55-K57 VanDerWaalsContact C-N 3.31Å; I55-K57 PolarHBondContact O-N 2.98Å; K57-Q59 PolarHBondContact O-N 3.44Å; K57-Q59 VanDerWaalsContact O-N 3.11Å; K57-N60 PolarHBondContact O-N 3.28Å
58T77.5Confident79.1Confident71 Ų7171.3 Ų71.344%0.43638%0.384SS..Hα-helixtrans-57.1-32.6-172.6-59.60000112.3A42 D54 I55A42-T58 HydrophobicContact CB-CG2 4.13Å; D54-T58 WeakPolarHBondContact O-CB 2.86Å; D54-T58 PolarHBondContact O-N 3.43Å; D54-T58 PolarHBondContact O-OG1 2.68Å; I55-T58 PolarHBondContact O-N 3.33Å
59Q76.5Confident79.5Confident53 Ų5364.7 Ų64.725%0.24835%0.348CS..THydrogen-bonded Turntrans-122.19.8-175.3-65.4-69.7-16.200114.1K38 A42 K57 L61K38-Q59 HydrophobicContact CB-CB 4.32Å; K38-Q59 HydrophobicContact CB-CG 4.07Å; K38-Q59 WeakPolarHBondContact O-CG 3.35Å; A42-Q59 HydrophobicContact CB-CG 3.95Å; K57-Q59 PolarHBondContact O-N 3.44Å; K57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 HydrophobicContact CB-CD1 3.71Å; Q59-L61 HydrophobicContact CB-CG 3.75Å; Q59-L61 PolarHBondContact O-N 3.3Å
60N78.7Confident79.7Confident153 Ų15362.1 Ų62.182%0.81833%0.332SS*.THydrogen-bonded Turntrans51.448.1-175.7-163.331000112.8A56 K57A56-N60 CarbonylContact O-C 3.55Å; A56-N60 VanDerWaalsContact O-CA 3.28Å; A56-N60 WeakPolarHBondContact O-CA 3.42Å; A56-N60 PolarHBondContact O-N 2.97Å; A56-N60 VanDerWaalsContact O-N 3.08Å; K57-N60 PolarHBondContact O-N 3.28Å
61L77.2Confident79.4Confident30 Ų3064.5 Ų64.516%0.15736%0.361CS..  trans-96.4147.5-177.6-64.9167.8000111.1I39 I55 A56 Q59 L63 L66I39-L61 HydrophobicContact CD1-CD1 4.49Å; I39-L61 HydrophobicContact CG1-CD1 3.48Å; I39-L61 VanDerWaalsContact CG1-CD1 3.48Å; I55-L61 HydrophobicContact CG2-CD1 4.49Å; A56-L61 PolarHBondContact O-N 3.16Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 HydrophobicContact CB-CD1 3.71Å; Q59-L61 HydrophobicContact CB-CG 3.75Å; Q59-L61 PolarHBondContact O-N 3.3Å; L61-L63 PolarHBondContact O-N 2.95Å; L61-L63 VanDerWaalsContact O-N 3.16Å; L61-L66 HydrophobicContact CB-CD1 4.48Å
62P80.7Confident79.1Confident96 Ų9669.7 Ų69.762%0.62338%0.377SS*.  trans-68.4114176.426.9-32.3000110.7L64 G65 L66P62-L64 PolarHBondContact O-N 3.39Å; P62-G65 PolarHBondContact O-N 2.95Å; P62-L66 PolarHBondContact O-N 3.39Å
63L78Confident78.8Confident70 Ų7072.1 Ų72.137%0.36639%0.385SS..Hα-helixtrans-53-39.1-179.4-178.362.7000112.7L52 A56 L61 G65 L66 M67L52-L63 HydrophobicContact CB-CD1 3.91Å; A56-L63 HydrophobicContact CB-CB 4.15Å; A56-L63 HydrophobicContact CB-CD1 4.03Å; L61-L63 PolarHBondContact O-N 2.95Å; L61-L63 VanDerWaalsContact O-N 3.16Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.13Å; L63-M67 HydrophobicContact CG-CG 4.43Å; L63-M67 HydrophobicContact CG-SD 4.15Å; L63-M67 WeakPolarHBondContact O-CG 3.42Å; L63-M67 PolarHBondContact O-N 3.32Å
64L72.7Confident78.4Confident117 Ų11775 Ų7561%0.61341%0.407SS*.Hα-helixtrans-57.4-42179.2-174.563.6000112.3P62 L66 M67 E68P62-L64 PolarHBondContact O-N 3.39Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.37Å; L64-M67 PolarHBondContact O-N 3.32Å; L64-E68 WeakPolarHBondContact O-CG 3.4Å; L64-E68 PolarHBondContact O-N 2.94Å
65G79.6Confident78.3Confident27 Ų2777.7 Ų77.728%0.27842%0.421SS..Hα-helixtrans-66.8-35.2178.700000112.7P62 L63 M69P62-G65 PolarHBondContact O-N 2.95Å; L63-G65 VanDerWaalsContact C-N 3.3Å; L63-G65 PolarHBondContact O-N 3.23Å; G65-M69 VanDerWaalsContact O-CG 3.32Å; G65-M69 WeakPolarHBondContact O-CG 3.48Å; G65-M69 PolarHBondContact O-N 2.83Å; G65-M69 VanDerWaalsContact O-N 3.07Å
66L80.6Confident78.1Confident4 Ų477.7 Ų77.72%0.02142%0.421CS..Hα-helixtrans-70.1-36175.6-60.2174000111.9L13 I39 L52 I55 A56 L61 P62 L63 L64 M69 Q70L13-L66 HydrophobicContact CD1-CD2 4.31Å; I39-L66 HydrophobicContact CD1-CD2 3.8Å; I39-L66 HydrophobicContact CG1-CD2 3.93Å; I39-L66 HydrophobicContact CG2-CD2 4.23Å; L52-L66 HydrophobicContact CD2-CB 3.39Å; L52-L66 HydrophobicContact CD2-CD1 4.41Å; L52-L66 HydrophobicContact CD2-CG 4.47Å; I55-L66 HydrophobicContact CB-CD1 4.19Å; I55-L66 HydrophobicContact CG2-CD1 3.72Å; I55-L66 HydrophobicContact CG2-CD2 4.44Å; A56-L66 HydrophobicContact CB-CD1 4Å; L61-L66 HydrophobicContact CB-CD1 4.48Å; P62-L66 PolarHBondContact O-N 3.39Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.13Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.37Å; L66-M69 WeakPolarHBondContact O-CB 3.47Å; L66-M69 PolarHBondContact O-N 3.2Å; L66-Q70 PolarHBondContact O-N 3.19Å
67M78.8Confident78.2Confident101 Ų10181 Ų8150%0.49844%0.44SS..Hα-helixtrans-65.4-43.3174.8-67.9174.969.700111.8L52 L63 L64 M69 Q70 G71L52-M67 HydrophobicContact CD1-CG 4.17Å; L63-M67 HydrophobicContact CG-CG 4.43Å; L63-M67 HydrophobicContact CG-SD 4.15Å; L63-M67 WeakPolarHBondContact O-CG 3.42Å; L63-M67 PolarHBondContact O-N 3.32Å; L64-M67 PolarHBondContact O-N 3.32Å; M67-M69 VanDerWaalsContact C-N 3.27Å; M67-M69 PolarHBondContact O-N 2.96Å; M67-Q70 PolarHBondContact O-N 3.14Å; M67-G71 PolarHBondContact O-N 3.39Å; M67-G71 VanDerWaalsContact O-N 3.1Å
68E77.6Confident78.5Confident121 Ų12178 Ų7857%0.56543%0.429SS*.Hα-helixtrans-59.6-41.1173.5-73.2176.4178.600111.3L64 G71L64-E68 WeakPolarHBondContact O-CG 3.4Å; L64-E68 PolarHBondContact O-N 2.94Å; E68-G71 PolarHBondContact O-N 3.02Å
69M81.5Confident78.5Confident22 Ų2276.9 Ų76.911%0.10843%0.43CS..Hα-helixtrans-64.2-44.9176.5-76.6-172.672.800113.5Y6 I9 A10 L13 I39 G65 L66 M67 G71 Y72Y6-M69 HydrophobicContact CD1-CE 3.38Å; Y6-M69 HydrophobicContact CD1-SD 3.89Å; Y6-M69 HydrophobicContact CE1-CE 4.32Å; Y6-M69 HydrophobicContact CE1-SD 4.33Å; Y6-M69 HydrophobicContact CG-CE 4.09Å; Y6-M69 WeakPolarHBondContact O-CE 3.37Å; I9-M69 HydrophobicContact CB-CE 3.78Å; I9-M69 HydrophobicContact CG2-CE 3.47Å; I9-M69 VanDerWaalsContact CG2-CE 3.47Å; I9-M69 HydrophobicContact CG2-SD 4.37Å; A10-M69 HydrophobicContact CB-CE 4.42Å; A10-M69 WeakPolarHBondContact CB-O 3.42Å; L13-M69 HydrophobicContact CD1-CB 4.03Å; I39-M69 HydrophobicContact CD1-SD 4.35Å; G65-M69 VanDerWaalsContact O-CG 3.32Å; G65-M69 WeakPolarHBondContact O-CG 3.48Å; G65-M69 PolarHBondContact O-N 2.83Å; G65-M69 VanDerWaalsContact O-N 3.07Å; L66-M69 WeakPolarHBondContact O-CB 3.47Å; L66-M69 PolarHBondContact O-N 3.2Å; M67-M69 VanDerWaalsContact C-N 3.27Å; M67-M69 PolarHBondContact O-N 2.96Å; M69-G71 PolarHBondContact O-N 2.7Å; M69-Y72 HydrophobicContact CG-CE2 4.37Å; M69-Y72 VanDerWaalsContact O-CD2 3.27Å; M69-Y72 WeakPolarHBondContact O-CD2 3.32Å; M69-Y72 PolarHBondContact O-N 3.3Å
70Q82.3Confident78.6Confident69 Ų6976.1 Ų76.132%0.32243%0.428SS..Hα-helixtrans-56.9-38175.3-173.9-178.84900110.9L13 A14 L52 L66 M67 Y72 W73L13-Q70 HydrophobicContact CB-CB 4.11Å; L13-Q70 HydrophobicContact CB-CG 4.33Å; L13-Q70 WeakPolarHBondContact O-CG 3.27Å; L13-Q70 PolarHBondContact O-NE2 2.94Å; A14-Q70 HydrophobicContact CB-CG 4.39Å; L52-Q70 HydrophobicContact CD1-CB 4.44Å; L66-Q70 PolarHBondContact O-N 3.19Å; M67-Q70 PolarHBondContact O-N 3.14Å; Q70-Y72 PolarHBondContact O-N 3.21Å; Q70-W73 PolarHBondContact O-N 3.49Å; Q70-W73 VanDerWaalsContact O-O 3.08Å
71G74.9Confident79Confident64 Ų6468.9 Ų68.966%0.6639%0.389SS*.THydrogen-bonded Turntrans-66.3-11.4-179.400000116.1M67 E68 M69 W73M67-G71 PolarHBondContact O-N 3.39Å; M67-G71 VanDerWaalsContact O-N 3.1Å; E68-G71 PolarHBondContact O-N 3.02Å; M69-G71 PolarHBondContact O-N 2.7Å; G71-W73 PolarHBondContact O-N 2.87Å
72Y76.7Confident79.4Confident165 Ų16569.5 Ų69.565%0.64739%0.39SS*.THydrogen-bonded Turntrans-68.9-19.5175.7-71.3-64.5000113.3A10 M69 Q70A10-Y72 HydrophobicContact CB-CD2 4.18Å; M69-Y72 HydrophobicContact CG-CE2 4.37Å; M69-Y72 VanDerWaalsContact O-CD2 3.27Å; M69-Y72 WeakPolarHBondContact O-CD2 3.32Å; M69-Y72 PolarHBondContact O-N 3.3Å; Q70-Y72 PolarHBondContact O-N 3.21Å
73W75.6Confident79.5Confident75 Ų7571.5 Ų71.528%0.28439%0.391SS..  trans-131.2138.5178.8-65.2100.9000110.9A11 A14 Q70 G71 P76 I80 Y84A11-W73 HydrophobicContact CB-CG 4.5Å; A14-W73 HydrophobicContact CB-CB 3.71Å; A14-W73 WeakPolarHBondContact CB-O 3.48Å; Q70-W73 PolarHBondContact O-N 3.49Å; Q70-W73 VanDerWaalsContact O-O 3.08Å; G71-W73 PolarHBondContact O-N 2.87Å; W73-P76 HydrophobicContact CB-CB 4.35Å; W73-P76 HydrophobicContact CB-CG 4.19Å; W73-P76 HydrophobicContact CD2-CB 4.16Å; W73-P76 HydrophobicContact CE3-CB 4.2Å; W73-P76 HydrophobicContact CG-CB 4.23Å; W73-P76 HydrophobicContact CG-CG 4.45Å; W73-I80 HydrophobicContact CE3-CD1 4.47Å; W73-I80 HydrophobicContact CH2-CD1 3.99Å; W73-I80 HydrophobicContact CH2-CG2 3.77Å; W73-I80 HydrophobicContact CZ2-CG2 3.85Å; W73-I80 HydrophobicContact CZ3-CD1 3.68Å; W73-I80 HydrophobicContact CZ3-CG2 4.22Å; W73-Y84 AromaticContact CZ2-CE2 3.7Å; W73-Y84 HydrophobicContact CZ2-CE2 3.7Å
74S74Confident79.9Confident124 Ų12471.1 Ų71.187%0.86739%0.386SS*.SBendtrans-89.3-40.6172.253.30000112.5
75N78.5Confident80.7Confident106 Ų10665.6 Ų65.657%0.56736%0.357SS*.SBendtrans-16482.7176.8-174.713.8000109.7K18K18-N75 PolarHBondContact NZ-OD1 3.31Å
76P78.3Confident81Confident1 Ų166.5 Ų66.51%0.00635%0.352CS..  trans-65.7137.1-175.426.2-30.6000111A11 A14 K18 W73 I80 I81A11-P76 HydrophobicContact CB-CB 3.95Å; A11-P76 HydrophobicContact CB-CG 3.91Å; A11-P76 VanDerWaalsContact O-CG 3.25Å; A11-P76 WeakPolarHBondContact O-CG 3.16Å; A14-P76 HydrophobicContact CB-CG 4.34Å; K18-P76 PolarHBondContact NZ-O 3.01Å; W73-P76 HydrophobicContact CB-CB 4.35Å; W73-P76 HydrophobicContact CB-CG 4.19Å; W73-P76 HydrophobicContact CD2-CB 4.16Å; W73-P76 HydrophobicContact CE3-CB 4.2Å; W73-P76 HydrophobicContact CG-CB 4.23Å; W73-P76 HydrophobicContact CG-CG 4.45Å; P76-I80 HydrophobicContact CB-CG2 4.29Å; P76-I81 HydrophobicContact CB-CG1 4.43Å; P76-I81 HydrophobicContact CG-CD1 4.47Å
77T82.6Confident81.3Confident82 Ų8267.3 Ų67.350%0.50336%0.361SS..  trans-71.9159.6176.862.20000111G79 I80 I81T77-G79 PolarHBondContact O-N 3.16Å; T77-I80 PolarHBondContact O-N 3.02Å; T77-I80 VanDerWaalsContact O-N 3.09Å; T77-I80 WeakPolarHBondContact OG1-CD1 3.42Å; T77-I80 WeakPolarHBondContact OG1-CG1 3.41Å; T77-I80 PolarHBondContact OG1-N 3.28Å; T77-I81 PolarHBondContact O-N 3.42Å
78E86.4Confident81.8Confident88 Ų8862.5 Ų62.541%0.41134%0.338SS..Hα-helixtrans-56.3-38.5175.4-56-167.8158.800111.6Y20 L21 I80 I81 K82Y20-E78 PolarHBondContact OH-OE1 3.26Å; L21-E78 HydrophobicContact CD1-CB 3.83Å; L21-E78 HydrophobicContact CD1-CG 3.85Å; L21-E78 HydrophobicContact CD2-CG 4.4Å; E78-I80 VanDerWaalsContact C-N 3.35Å; E78-I80 PolarHBondContact O-N 3.45Å; E78-I81 PolarHBondContact O-N 3.32Å; E78-K82 WeakPolarHBondContact O-CG 3.44Å; E78-K82 PolarHBondContact O-N 3.27Å
79G78.3Confident82.4Confident46 Ų4656.9 Ų56.947%0.47431%0.311SS..Hα-helixtrans-60.6-39.2176.600000113.5T77 K82 Q83T77-G79 PolarHBondContact O-N 3.16Å; G79-K82 PolarHBondContact O-N 3.31Å; G79-Q83 VanDerWaalsContact O-CB 3.28Å; G79-Q83 WeakPolarHBondContact O-CB 3.29Å; G79-Q83 PolarHBondContact O-N 3.33Å
80I78Confident82.7Confident38 Ų3860 Ų6020%0.19533%0.325CS..Hα-helixtrans-65.3-45.1176.6-70.9166.9000110.4W73 P76 T77 E78 Q83 Y84W73-I80 HydrophobicContact CE3-CD1 4.47Å; W73-I80 HydrophobicContact CH2-CD1 3.99Å; W73-I80 HydrophobicContact CH2-CG2 3.77Å; W73-I80 HydrophobicContact CZ2-CG2 3.85Å; W73-I80 HydrophobicContact CZ3-CD1 3.68Å; W73-I80 HydrophobicContact CZ3-CG2 4.22Å; P76-I80 HydrophobicContact CB-CG2 4.29Å; T77-I80 PolarHBondContact O-N 3.02Å; T77-I80 VanDerWaalsContact O-N 3.09Å; T77-I80 WeakPolarHBondContact OG1-CD1 3.42Å; T77-I80 WeakPolarHBondContact OG1-CG1 3.41Å; T77-I80 PolarHBondContact OG1-N 3.28Å; E78-I80 VanDerWaalsContact C-N 3.35Å; E78-I80 PolarHBondContact O-N 3.45Å; I80-Q83 PolarHBondContact O-N 3.18Å; I80-Y84 HydrophobicContact CG2-CD2 3.79Å; I80-Y84 HydrophobicContact CG2-CE2 3.76Å; I80-Y84 VanDerWaalsContact O-CD2 3.29Å; I80-Y84 WeakPolarHBondContact O-CD2 3.36Å; I80-Y84 PolarHBondContact O-N 3.07Å
81I85.9Confident83Confident0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-61.3-48.7178.2-64.9171.9000110L8 A11 L12 K18 L21 I22 P76 T77 E78 Q83 Y84 A85L8-I81 HydrophobicContact CD1-CG2 4.2Å; A11-I81 HydrophobicContact CB-CG1 4.09Å; L12-I81 HydrophobicContact CD2-CG2 4.02Å; K18-I81 HydrophobicContact CB-CD1 3.55Å; K18-I81 HydrophobicContact CD-CD1 3.63Å; K18-I81 HydrophobicContact CG-CD1 4.23Å; L21-I81 HydrophobicContact CD1-CB 4.35Å; L21-I81 HydrophobicContact CD1-CD1 4.11Å; L21-I81 HydrophobicContact CD1-CG2 4.29Å; I22-I81 HydrophobicContact CG2-CG2 4.07Å; P76-I81 HydrophobicContact CB-CG1 4.43Å; P76-I81 HydrophobicContact CG-CD1 4.47Å; T77-I81 PolarHBondContact O-N 3.42Å; E78-I81 PolarHBondContact O-N 3.32Å; I81-Q83 VanDerWaalsContact C-N 3.34Å; I81-Q83 PolarHBondContact O-N 3.13Å; I81-Y84 PolarHBondContact O-N 3.5Å; I81-A85 WeakPolarHBondContact O-CB 3.33Å; I81-A85 PolarHBondContact O-N 3.05Å
82K86.9Confident83.8Confident43 Ų4359.4 Ų59.419%0.18730%0.301CS..Hα-helixtrans-58.2-45176.5-69.7-174.7179.8-178.70111.4E78 G79 Y84 A85 Y86 F122 D126E78-K82 WeakPolarHBondContact O-CG 3.44Å; E78-K82 PolarHBondContact O-N 3.27Å; G79-K82 PolarHBondContact O-N 3.31Å; K82-Y84 PolarHBondContact O-N 3.33Å; K82-A85 WeakPolarHBondContact O-CB 3.28Å; K82-A85 PolarHBondContact O-N 3.02Å; K82-Y86 WeakPolarHBondContact O-CD2 3.4Å; K82-Y86 PolarHBondContact O-N 2.84Å; K82-F122 HydrophobicContact CB-CE2 4.15Å; K82-F122 HydrophobicContact CB-CZ 4Å; K82-F122 HydrophobicContact CD-CD1 4.32Å; K82-F122 HydrophobicContact CD-CE1 4.11Å; K82-F122 HydrophobicContact CD-CZ 4.34Å; K82-F122 HydrophobicContact CG-CD1 4.45Å; K82-F122 HydrophobicContact CG-CE1 3.77Å; K82-F122 HydrophobicContact CG-CE2 4.2Å; K82-F122 HydrophobicContact CG-CZ 3.63Å; K82-D126 IonicContact NZ-OD1 3.3Å; K82-D126 IonicContact NZ-OD2 2.7Å; K82-D126 PolarHBondContact NZ-OD2 3.25Å
83Q82Confident84.5Confident138 Ų13852.2 Ų52.265%0.64527%0.273SS*.Hα-helixtrans-60-46.6179.3-175.3-176.29.300112.5G79 I80 I81 A85 Y86 G87G79-Q83 VanDerWaalsContact O-CB 3.28Å; G79-Q83 WeakPolarHBondContact O-CB 3.29Å; G79-Q83 PolarHBondContact O-N 3.33Å; I80-Q83 PolarHBondContact O-N 3.18Å; I81-Q83 VanDerWaalsContact C-N 3.34Å; I81-Q83 PolarHBondContact O-N 3.13Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-Y86 PolarHBondContact O-N 3.46Å; Q83-G87 PolarHBondContact O-N 3.04Å
84Y87.5Confident85.1Confident63 Ų6352.5 Ų52.525%0.24728%0.277CS..Hα-helixtrans-65.5-38.9175.6-81.6-70.2000111.7V4 W73 I80 I81 K82 G87 V88V4-Y84 HydrophobicContact CB-CD1 4.39Å; V4-Y84 HydrophobicContact CG1-CD1 4.06Å; V4-Y84 WeakPolarHBondContact O-CD1 3.43Å; W73-Y84 AromaticContact CZ2-CE2 3.7Å; W73-Y84 HydrophobicContact CZ2-CE2 3.7Å; I80-Y84 HydrophobicContact CG2-CD2 3.79Å; I80-Y84 HydrophobicContact CG2-CE2 3.76Å; I80-Y84 VanDerWaalsContact O-CD2 3.29Å; I80-Y84 WeakPolarHBondContact O-CD2 3.36Å; I80-Y84 PolarHBondContact O-N 3.07Å; I81-Y84 PolarHBondContact O-N 3.5Å; K82-Y84 PolarHBondContact O-N 3.33Å; Y84-G87 PolarHBondContact O-N 3.46Å; Y84-V88 WeakPolarHBondContact O-CG2 3.33Å; Y84-V88 PolarHBondContact O-N 2.89Å
85A89.4Confident85.9Confident0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-60.1-47175.300000112L8 I22 I26 I81 K82 Q83 G87 V88 L89 L121 F122L8-A85 HydrophobicContact CD1-CB 4.29Å; L8-A85 HydrophobicContact CD2-CB 4.47Å; I22-A85 HydrophobicContact CG2-CB 3.81Å; I26-A85 HydrophobicContact CD1-CB 4Å; I26-A85 HydrophobicContact CG1-CB 4.14Å; I81-A85 WeakPolarHBondContact O-CB 3.33Å; I81-A85 PolarHBondContact O-N 3.05Å; K82-A85 WeakPolarHBondContact O-CB 3.28Å; K82-A85 PolarHBondContact O-N 3.02Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 3.32Å; A85-V88 PolarHBondContact O-N 3.31Å; A85-V88 VanDerWaalsContact O-N 3.16Å; A85-L89 PolarHBondContact O-N 3.16Å; A85-L121 VanDerWaalsContact C-CD1 3.48Å; A85-L121 HydrophobicContact CB-CD1 4.14Å; A85-L121 WeakPolarHBondContact O-CD1 3.31Å; A85-F122 HydrophobicContact CB-CE2 4.44Å; A85-F122 HydrophobicContact CB-CZ 4.36Å
86Y86.1Confident86.5Confident47 Ų4745.5 Ų45.518%0.18423%0.225CC..Hα-helixtrans-55.5-46.9171.2-85.2-68.9000111.8K82 Q83 V88 L89 E90 L121 F122 T127K82-Y86 WeakPolarHBondContact O-CD2 3.4Å; K82-Y86 PolarHBondContact O-N 2.84Å; Q83-Y86 PolarHBondContact O-N 3.46Å; Y86-V88 VanDerWaalsContact C-N 3.27Å; Y86-V88 PolarHBondContact O-N 3.08Å; Y86-L89 PolarHBondContact O-N 3.11Å; Y86-E90 PolarHBondContact O-N 3.34Å; Y86-L121 HydrophobicContact CD1-CD1 4.4Å; Y86-F122 HydrophobicContact CD2-CD2 4.08Å; Y86-F122 AromaticContact CD2-CE2 3.93Å; Y86-F122 HydrophobicContact CD2-CE2 3.93Å; Y86-F122 AromaticContact CE1-CD2 3.97Å; Y86-F122 HydrophobicContact CE1-CD2 3.97Å; Y86-F122 AromaticContact CE2-CD2 3.32Å; Y86-F122 HydrophobicContact CE2-CD2 3.32Å; Y86-F122 AromaticContact CE2-CE2 3.62Å; Y86-F122 HydrophobicContact CE2-CE2 3.62Å; Y86-F122 HydrophobicContact CE2-CG 4.33Å; Y86-F122 AromaticContact CZ-CD2 3.27Å; Y86-F122 AromaticContact CZ-CE2 3.98Å; Y86-F122 WeakPolarHBondContact OH-CB 3.47Å; Y86-F122 VanDerWaalsContact OH-CD2 3.27Å; Y86-F122 WeakPolarHBondContact OH-CD2 3.46Å; Y86-T127 HydrophobicContact CE1-CG2 3.44Å; Y86-T127 VanDerWaalsContact CE1-CG2 3.44Å; Y86-T127 HydrophobicContact CE2-CG2 4.37Å; Y86-T127 WeakPolarHBondContact OH-CG2 3.39Å
87G86.2Confident86.9Confident21 Ų2147.9 Ų47.922%0.21623%0.234CC..Hα-helixtrans-62.1-32.6178.600000113.8Q83 Y84 A85 R91Q83-G87 PolarHBondContact O-N 3.04Å; Y84-G87 PolarHBondContact O-N 3.46Å; A85-G87 VanDerWaalsContact C-N 3.32Å; A85-G87 PolarHBondContact O-N 3.32Å; G87-R91 WeakPolarHBondContact O-CB 3.39Å; G87-R91 WeakPolarHBondContact O-CD 3.41Å; G87-R91 VanDerWaalsContact O-CG 3.24Å; G87-R91 WeakPolarHBondContact O-CG 3.42Å; G87-R91 PolarHBondContact O-N 3.49Å
88V89.7Confident87.2Confident0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-69.1-47.3173.2171.90000110.5V4 E5 L8 F31 Y84 A85 Y86 R91 Y92V4-V88 HydrophobicContact CG1-CG2 4.05Å; E5-V88 HydrophobicContact CG-CG2 4.08Å; L8-V88 HydrophobicContact CB-CG2 4.43Å; L8-V88 HydrophobicContact CD2-CG2 3.92Å; F31-V88 HydrophobicContact CE1-CG1 4.48Å; F31-V88 HydrophobicContact CE1-CG2 4.44Å; F31-V88 HydrophobicContact CE2-CG1 4.41Å; F31-V88 HydrophobicContact CZ-CG1 4.4Å; Y84-V88 WeakPolarHBondContact O-CG2 3.33Å; Y84-V88 PolarHBondContact O-N 2.89Å; A85-V88 PolarHBondContact O-N 3.31Å; A85-V88 VanDerWaalsContact O-N 3.16Å; Y86-V88 VanDerWaalsContact C-N 3.27Å; Y86-V88 PolarHBondContact O-N 3.08Å; V88-R91 PolarHBondContact O-N 2.98Å; V88-Y92 PolarHBondContact O-N 2.99Å
89L90.5Very high87.3Confident2 Ų250.4 Ų50.41%0.0124%0.239CC..Hα-helixtrans-62.3-48.7178.517468.7000112.2Y30 A85 Y86 R91 Y92 K93 I119 L121Y30-L89 HydrophobicContact CD2-CD1 4.19Å; Y30-L89 HydrophobicContact CE2-CD1 3.89Å; A85-L89 PolarHBondContact O-N 3.16Å; Y86-L89 PolarHBondContact O-N 3.11Å; L89-R91 PolarHBondContact O-N 2.97Å; L89-Y92 HydrophobicContact CD1-CD1 4.21Å; L89-Y92 CarbonylContact O-C 3.57Å; L89-Y92 WeakPolarHBondContact O-CA 3.26Å; L89-Y92 WeakPolarHBondContact O-CB 3.28Å; L89-Y92 PolarHBondContact O-N 3.49Å; L89-K93 HydrophobicContact CD1-CG 4.26Å; L89-K93 HydrophobicContact CG-CG 4.34Å; L89-K93 PolarHBondContact O-N 3.1Å; L89-I119 HydrophobicContact CD1-CB 4.32Å; L89-I119 HydrophobicContact CD1-CG2 3.61Å; L89-I119 HydrophobicContact CD2-CG2 4.33Å; L89-I119 VanDerWaalsContact CD2-O 3.31Å; L89-I119 WeakPolarHBondContact CD2-O 3.36Å; L89-L121 HydrophobicContact CB-CD1 3.65Å; L89-L121 HydrophobicContact CB-CG 4.09Å; L89-L121 HydrophobicContact CD2-CB 4.45Å; L89-L121 HydrophobicContact CD2-CD1 3.91Å; L89-L121 HydrophobicContact CD2-CD2 4.43Å; L89-L121 HydrophobicContact CD2-CG 3.56Å; L89-L121 HydrophobicContact CG-CD1 4.37Å; L89-L121 HydrophobicContact CG-CG 4.32Å
90E86.4Confident87.8Confident87 Ų8748.3 Ų48.341%0.40722%0.217SC..Hα-helixtrans-59.6-36.1-178.8-77.3-54.4124.100111.8Y86 K93 Q94Y86-E90 PolarHBondContact O-N 3.34Å; E90-K93 IonicContact OE1-NZ 3.9Å; E90-Q94 WeakPolarHBondContact O-CB 3.34Å; E90-Q94 PolarHBondContact O-N 3.01Å
91R88.5Confident88.1Confident85 Ų8551.6 Ų51.632%0.32123%0.231SC..Hα-helixtrans-69.9-35.6173.7-73.4178.8179.3-175.85.7112.6M1 V4 G87 V88 L89 R95M1-R91 VanDerWaalsContact CA-NH1 3.28Å; M1-R91 PolarHBondContact O-NH1 3.23Å; V4-R91 VanDerWaalsContact CG2-CZ 3.41Å; V4-R91 VanDerWaalsContact CG2-NH2 3.34Å; G87-R91 WeakPolarHBondContact O-CB 3.39Å; G87-R91 WeakPolarHBondContact O-CD 3.41Å; G87-R91 VanDerWaalsContact O-CG 3.24Å; G87-R91 WeakPolarHBondContact O-CG 3.42Å; G87-R91 PolarHBondContact O-N 3.49Å; V88-R91 PolarHBondContact O-N 2.98Å; L89-R91 PolarHBondContact O-N 2.97Å; R91-R95 VanDerWaalsContact C-NH1 3.32Å; R91-R95 WeakPolarHBondContact O-CG 3.15Å; R91-R95 PolarHBondContact O-N 3.49Å; R91-R95 PolarHBondContact O-NH1 3.34Å; R91-R95 VanDerWaalsContact O-NH1 3.11Å
92Y92.7Very high88.2Confident36 Ų3655.7 Ų55.714%0.14127%0.265CS..Hα-helixtrans-64-51.3172.5167.9-100.2000111Y30 V88 L89 Q94 R95 E96 I119Y30-Y92 AromaticContact CD1-CD1 3.51Å; Y30-Y92 HydrophobicContact CD1-CD1 3.51Å; Y30-Y92 AromaticContact CD1-CD2 3.66Å; Y30-Y92 HydrophobicContact CD1-CD2 3.66Å; Y30-Y92 AromaticContact CD1-CE1 3.69Å; Y30-Y92 HydrophobicContact CD1-CE1 3.69Å; Y30-Y92 AromaticContact CD1-CE2 3.82Å; Y30-Y92 HydrophobicContact CD1-CE2 3.82Å; Y30-Y92 AromaticContact CD1-CG 3.48Å; Y30-Y92 HydrophobicContact CD1-CG 3.48Å; Y30-Y92 VanDerWaalsContact CD1-CG 3.48Å; Y30-Y92 AromaticContact CD1-CZ 3.82Å; Y30-Y92 AromaticContact CE1-CD1 3.7Å; Y30-Y92 HydrophobicContact CE1-CD1 3.7Å; Y30-Y92 HydrophobicContact CE1-CD2 4.45Å; Y30-Y92 AromaticContact CE1-CE1 3.5Å; Y30-Y92 HydrophobicContact CE1-CE1 3.5Å; Y30-Y92 HydrophobicContact CE1-CE2 4.27Å; Y30-Y92 HydrophobicContact CE1-CG 4.17Å; Y30-Y92 AromaticContact CE1-CZ 3.8Å; Y30-Y92 HydrophobicContact CG-CD1 4.2Å; Y30-Y92 HydrophobicContact CG-CD2 4.39Å; Y30-Y92 AromaticContact CG-CG 4Å; Y30-Y92 HydrophobicContact CG-CG 4Å; V88-Y92 PolarHBondContact O-N 2.99Å; L89-Y92 HydrophobicContact CD1-CD1 4.21Å; L89-Y92 CarbonylContact O-C 3.57Å; L89-Y92 WeakPolarHBondContact O-CA 3.26Å; L89-Y92 WeakPolarHBondContact O-CB 3.28Å; L89-Y92 PolarHBondContact O-N 3.49Å; Y92-Q94 VanDerWaalsContact C-N 3.26Å; Y92-Q94 PolarHBondContact O-N 3.42Å; Y92-R95 PolarHBondContact O-N 3.31Å; Y92-R95 VanDerWaalsContact O-N 3.07Å; Y92-E96 HydrophobicContact CD1-CG 4.43Å; Y92-E96 HydrophobicContact CD2-CG 4.04Å; Y92-E96 HydrophobicContact CE1-CG 3.96Å; Y92-E96 HydrophobicContact CE2-CG 3.54Å; Y92-E96 HydrophobicContact CG-CG 4.47Å; Y92-E96 VanDerWaalsContact CZ-CG 3.49Å; Y92-E96 PolarHBondContact O-N 3.22Å; Y92-I119 HydrophobicContact CE1-CD1 3.99Å
93K90.1Very high87.9Confident14 Ų1459.6 Ų59.66%0.06128%0.284CS..Hα-helixtrans-52-47.3175.6-70.4-170.2177.1-1760111.2L89 E90 R95 E96 R97 I116 D117 I119L89-K93 HydrophobicContact CD1-CG 4.26Å; L89-K93 HydrophobicContact CG-CG 4.34Å; L89-K93 PolarHBondContact O-N 3.1Å; E90-K93 IonicContact OE1-NZ 3.9Å; K93-R95 PolarHBondContact O-N 2.87Å; K93-E96 PolarHBondContact O-N 3.38Å; K93-R97 WeakPolarHBondContact O-CB 3.21Å; K93-R97 VanDerWaalsContact O-CG 3.31Å; K93-R97 WeakPolarHBondContact O-CG 3.42Å; K93-R97 PolarHBondContact O-N 3.15Å; K93-I116 HydrophobicContact CB-CG2 3.75Å; K93-I116 HydrophobicContact CD-CG2 4.41Å; K93-I116 WeakPolarHBondContact CD-O 3.35Å; K93-I116 WeakPolarHBondContact CE-O 3.43Å; K93-I116 HydrophobicContact CG-CG2 3.8Å; K93-D117 PolarHBondContact NZ-O 3.26Å; K93-I119 WeakPolarHBondContact CE-O 3.36Å; K93-I119 PolarHBondContact NZ-O 3.44Å
94Q88.8Confident87.8Confident82 Ų8254.6 Ų54.638%0.38327%0.27SS..Hα-helixtrans-58.2-45.3178.7-173.359.225.100113.1E90 Y92 R97 E98E90-Q94 WeakPolarHBondContact O-CB 3.34Å; E90-Q94 PolarHBondContact O-N 3.01Å; Y92-Q94 VanDerWaalsContact C-N 3.26Å; Y92-Q94 PolarHBondContact O-N 3.42Å; Q94-R97 PolarHBondContact O-N 3.46Å; Q94-E98 PolarHBondContact NE2-OE1 3.42Å; Q94-E98 WeakPolarHBondContact O-CG 3.31Å; Q94-E98 PolarHBondContact O-N 3.24Å
95R91.4Very high87.3Confident48 Ų4860.2 Ų60.218%0.18129%0.291CS..Hα-helixtrans-65.2-40.6177.6-69-172.7-48.8-91.911112.2Y30 R91 Y92 K93 E98 K99Y30-R95 PolarHBondContact O-NH2 2.8Å; R91-R95 VanDerWaalsContact C-NH1 3.32Å; R91-R95 WeakPolarHBondContact O-CG 3.15Å; R91-R95 PolarHBondContact O-N 3.49Å; R91-R95 PolarHBondContact O-NH1 3.34Å; R91-R95 VanDerWaalsContact O-NH1 3.11Å; Y92-R95 PolarHBondContact O-N 3.31Å; Y92-R95 VanDerWaalsContact O-N 3.07Å; K93-R95 PolarHBondContact O-N 2.87Å; R95-E98 PolarHBondContact O-N 3.28Å; R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.19Å; R95-K99 VanDerWaalsContact O-N 3.09Å
96E90.4Very high86.9Confident34 Ų3464.3 Ų64.316%0.15931%0.314CS..Hα-helixtrans-69.3-38.9178.5-66.4-53.6114.200111.5Y92 K93 E98 K99 V100 I116Y92-E96 HydrophobicContact CD1-CG 4.43Å; Y92-E96 HydrophobicContact CD2-CG 4.04Å; Y92-E96 HydrophobicContact CE1-CG 3.96Å; Y92-E96 HydrophobicContact CE2-CG 3.54Å; Y92-E96 HydrophobicContact CG-CG 4.47Å; Y92-E96 VanDerWaalsContact CZ-CG 3.49Å; Y92-E96 PolarHBondContact O-N 3.22Å; K93-E96 PolarHBondContact O-N 3.38Å; E96-E98 VanDerWaalsContact C-N 3.34Å; E96-E98 PolarHBondContact O-N 2.87Å; E96-K99 PolarHBondContact O-N 3.01Å; E96-K99 WeakPolarHBondContact OE1-CE 3.41Å; E96-K99 IonicContact OE1-NZ 2.7Å; E96-K99 PolarHBondContact OE1-NZ 3.02Å; E96-V100 WeakPolarHBondContact O-CB 3.32Å; E96-V100 WeakPolarHBondContact O-CG2 3.4Å; E96-V100 PolarHBondContact O-N 3.09Å; E96-I116 HydrophobicContact CB-CD1 3.65Å; E96-I116 HydrophobicContact CB-CG1 4.14Å
97R87.7Confident86.6Confident52 Ų5270 Ų7020%0.19634%0.342CS..Hα-helixtrans-57.4-47.4172.3-73.8-168.7-71.5-1251.7111.3K93 Q94 K99 V100 Q101 L113 I116 D117K93-R97 WeakPolarHBondContact O-CB 3.21Å; K93-R97 VanDerWaalsContact O-CG 3.31Å; K93-R97 WeakPolarHBondContact O-CG 3.42Å; K93-R97 PolarHBondContact O-N 3.15Å; Q94-R97 PolarHBondContact O-N 3.46Å; R97-K99 PolarHBondContact O-N 3.46Å; R97-V100 PolarHBondContact O-N 2.84Å; R97-Q101 WeakPolarHBondContact O-CB 3.48Å; R97-Q101 VanDerWaalsContact O-CG 3.23Å; R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.39Å; R97-L113 HydrophobicContact CB-CD2 4.02Å; R97-L113 HydrophobicContact CG-CD2 3.75Å; R97-I116 HydrophobicContact CG-CD1 4.49Å; R97-I116 HydrophobicContact CG-CG2 4.1Å; R97-D117 IonicContact CZ-OD1 3.74Å; R97-D117 IonicContact NH1-OD1 3.98Å; R97-D117 PolarHBondContact NH1-OD1 2.91Å
98E88.6Confident86.5Confident106 Ų10673.5 Ų73.550%0.49536%0.356SS..Hα-helixtrans-61.6-39.9178.3-74.2168.6-166.600112.6Q94 R95 E96 A102Q94-E98 PolarHBondContact NE2-OE1 3.42Å; Q94-E98 WeakPolarHBondContact O-CG 3.31Å; Q94-E98 PolarHBondContact O-N 3.24Å; R95-E98 PolarHBondContact O-N 3.28Å; E96-E98 VanDerWaalsContact C-N 3.34Å; E96-E98 PolarHBondContact O-N 2.87Å; E98-A102 WeakPolarHBondContact O-CB 3.2Å; E98-A102 PolarHBondContact O-N 3.43Å; E98-A102 VanDerWaalsContact O-N 3.15Å
99K88.6Confident86.2Confident117 Ų11773.8 Ų73.851%0.50936%0.357SS..Hα-helixtrans-64.8-48.5175.1-72.2173.6-174.5170.70112.2R95 E96 R97 Q101 A102R95-K99 WeakPolarHBondContact O-CG 3.15Å; R95-K99 PolarHBondContact O-N 3.19Å; R95-K99 VanDerWaalsContact O-N 3.09Å; E96-K99 PolarHBondContact O-N 3.01Å; E96-K99 WeakPolarHBondContact OE1-CE 3.41Å; E96-K99 IonicContact OE1-NZ 2.7Å; E96-K99 PolarHBondContact OE1-NZ 3.02Å; R97-K99 PolarHBondContact O-N 3.46Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 2.85Å; K99-A102 WeakPolarHBondContact O-CB 3.49Å; K99-A102 PolarHBondContact O-N 3.19Å
100V87.8Confident85.7Confident2 Ų279.1 Ų79.11%0.01238%0.38CS..Hα-helixtrans-63.7-42-178.9171.10000110.6E96 R97 A102 E103 T109 R112 L113 I116E96-V100 WeakPolarHBondContact O-CB 3.32Å; E96-V100 WeakPolarHBondContact O-CG2 3.4Å; E96-V100 PolarHBondContact O-N 3.09Å; R97-V100 PolarHBondContact O-N 2.84Å; V100-A102 VanDerWaalsContact C-N 3.28Å; V100-A102 PolarHBondContact O-N 2.94Å; V100-E103 PolarHBondContact O-N 3.47Å; V100-T109 HydrophobicContact CG1-CG2 3.58Å; V100-R112 HydrophobicContact CG1-CB 4.07Å; V100-R112 HydrophobicContact CG2-CB 4.31Å; V100-L113 HydrophobicContact CB-CD2 4.29Å; V100-L113 HydrophobicContact CG1-CD2 4.1Å; V100-L113 HydrophobicContact CG1-CG 3.97Å; V100-I116 HydrophobicContact CG2-CD1 3.99Å
101Q85.1Confident85.6Confident106 Ų10677.3 Ų77.350%0.49538%0.381SS..Hα-helixtrans-66.3-27.1176.8-73.1175.6-1200113.5R97 K99 E103 L113R97-Q101 WeakPolarHBondContact O-CB 3.48Å; R97-Q101 VanDerWaalsContact O-CG 3.23Å; R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.39Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 2.85Å; Q101-E103 VanDerWaalsContact C-N 3.27Å; Q101-E103 PolarHBondContact O-N 3.36Å; Q101-L113 HydrophobicContact CG-CD1 4.42Å; Q101-L113 HydrophobicContact CG-CD2 4.4Å
102A86.7Confident85.4Confident87 Ų8777 Ų7772%0.71938%0.379SS*.Hα-helixtrans-72.3-18.8175.800000113.3E98 K99 V100 G104E98-A102 WeakPolarHBondContact O-CB 3.2Å; E98-A102 PolarHBondContact O-N 3.43Å; E98-A102 VanDerWaalsContact O-N 3.15Å; K99-A102 WeakPolarHBondContact O-CB 3.49Å; K99-A102 PolarHBondContact O-N 3.19Å; V100-A102 VanDerWaalsContact C-N 3.28Å; V100-A102 PolarHBondContact O-N 2.94Å; A102-G104 VanDerWaalsContact C-N 3.34Å
103E82.6Confident85.1Confident125 Ų12576.3 Ų76.358%0.58438%0.378SS*.THydrogen-bonded Turntrans-80.6-13.9179.9-66.7174.3-169.800113.2V100 Q101 R112V100-E103 PolarHBondContact O-N 3.47Å; Q101-E103 VanDerWaalsContact C-N 3.27Å; Q101-E103 PolarHBondContact O-N 3.36Å; E103-R112 IonicContact OE1-NH1 3.48Å; E103-R112 IonicContact OE1-NH2 3.86Å; E103-R112 IonicContact OE2-CZ 3.7Å; E103-R112 IonicContact OE2-NH1 2.69Å; E103-R112 PolarHBondContact OE2-NH1 2.89Å; E103-R112 IonicContact OE2-NH2 3.98Å
104G78.4Confident84.7Confident33 Ų3378 Ų7834%0.3440%0.395SS..  trans131.7-167.9-179.600000112.5A102 T109A102-G104 VanDerWaalsContact C-N 3.34Å; G104-T109 WeakPolarHBondContact O-CG2 3.44Å; G104-T109 PolarHBondContact O-OG1 2.81Å
105Y76.9Confident84.5Confident180 Ų18080.2 Ų80.271%0.70641%0.405SS*.SBendtrans-132.980.2178.1-149.6-96.2000109.8
106D81.7Confident84.2Confident87 Ų8778.7 Ų78.747%0.46540%0.4SS..SBendtrans-118.5178175.767.97.5000111.8N108 T109 K110D106-N108 PolarHBondContact O-N 2.98Å; D106-N108 WeakPolarHBondContact OD1-CB 3.48Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-T109 PolarHBondContact N-OG1 3.02Å; D106-T109 WeakPolarHBondContact O-CB 3.27Å; D106-T109 PolarHBondContact O-N 2.8Å; D106-T109 WeakPolarHBondContact OD1-CB 3.42Å; D106-T109 PolarHBondContact OD1-N 3.09Å; D106-T109 PolarHBondContact OD1-OG1 3.41Å; D106-K110 PolarHBondContact O-N 3.45Å
107E79.2Confident83.7Confident165 Ų16580.9 Ų80.977%0.77141%0.413SS*.Hα-helixtrans-60.2-34.9177.3-76.2-114.1133.800112.5K110 A111E107-K110 PolarHBondContact O-N 2.99Å; E107-A111 PolarHBondContact O-N 3.07Å
108N84.5Confident83.5Confident96 Ų9685.7 Ų85.751%0.51344%0.438SS..Hα-helixtrans-66.3-39.2178.1-173.631.1000111.5D106 K110 A111 R112D106-N108 PolarHBondContact O-N 2.98Å; D106-N108 WeakPolarHBondContact OD1-CB 3.48Å; D106-N108 PolarHBondContact OD1-N 3.46Å; N108-K110 VanDerWaalsContact C-N 3.33Å; N108-K110 PolarHBondContact O-N 2.95Å; N108-A111 PolarHBondContact O-N 3.28Å; N108-R112 WeakPolarHBondContact O-CG 3.45Å; N108-R112 PolarHBondContact O-N 2.69Å
109T82.7Confident83.1Confident6 Ų682.8 Ų82.84%0.03743%0.425CS..Hα-helixtrans-58-46.5173.5-52.10000110.2V100 G104 D106 R112 L113V100-T109 HydrophobicContact CG1-CG2 3.58Å; G104-T109 WeakPolarHBondContact O-CG2 3.44Å; G104-T109 PolarHBondContact O-OG1 2.81Å; D106-T109 PolarHBondContact N-OG1 3.02Å; D106-T109 WeakPolarHBondContact O-CB 3.27Å; D106-T109 PolarHBondContact O-N 2.8Å; D106-T109 WeakPolarHBondContact OD1-CB 3.42Å; D106-T109 PolarHBondContact OD1-N 3.09Å; D106-T109 PolarHBondContact OD1-OG1 3.41Å; T109-R112 PolarHBondContact O-N 3.28Å; T109-L113 HydrophobicContact CG2-CD1 4.22Å; T109-L113 VanDerWaalsContact O-CG 3.28Å; T109-L113 WeakPolarHBondContact O-CG 3.33Å; T109-L113 PolarHBondContact O-N 3.47Å
110K81Confident82.5Confident113 Ų11381.2 Ų81.249%0.49143%0.425SS..Hα-helixtrans-63.6-43.9178.4-69.6-178.1-179.5176.90112.5D106 E107 N108 R112 L113 A114D106-K110 PolarHBondContact O-N 3.45Å; E107-K110 PolarHBondContact O-N 2.99Å; N108-K110 VanDerWaalsContact C-N 3.33Å; N108-K110 PolarHBondContact O-N 2.95Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 3.17Å; K110-L113 PolarHBondContact O-N 3.24Å; K110-A114 PolarHBondContact O-N 3.36Å
111A84.2Confident81.8Confident50 Ų5081.4 Ų81.441%0.41343%0.427SS..Hα-helixtrans-59.5-46.6177.400000111.2E107 N108 L113 A114 E115E107-A111 PolarHBondContact O-N 3.07Å; N108-A111 PolarHBondContact O-N 3.28Å; A111-L113 PolarHBondContact O-N 3.48Å; A111-A114 WeakPolarHBondContact O-CB 3.37Å; A111-A114 PolarHBondContact O-N 3.18Å; A111-E115 WeakPolarHBondContact O-CG 3.48Å; A111-E115 PolarHBondContact O-N 3.43Å
112R85.1Confident81Confident77 Ų7776.9 Ų76.929%0.29141%0.405SS..Hα-helixtrans-65.3-36.2177.6-70.6175.669-169.2-2.7113.1V100 E103 N108 T109 K110 E115 I116V100-R112 HydrophobicContact CG1-CB 4.07Å; V100-R112 HydrophobicContact CG2-CB 4.31Å; E103-R112 IonicContact OE1-NH1 3.48Å; E103-R112 IonicContact OE1-NH2 3.86Å; E103-R112 IonicContact OE2-CZ 3.7Å; E103-R112 IonicContact OE2-NH1 2.69Å; E103-R112 PolarHBondContact OE2-NH1 2.89Å; E103-R112 IonicContact OE2-NH2 3.98Å; N108-R112 WeakPolarHBondContact O-CG 3.45Å; N108-R112 PolarHBondContact O-N 2.69Å; T109-R112 PolarHBondContact O-N 3.28Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 3.17Å; R112-E115 PolarHBondContact O-N 3.1Å; R112-I116 WeakPolarHBondContact O-CD1 3.32Å; R112-I116 VanDerWaalsContact O-CG1 3.27Å; R112-I116 WeakPolarHBondContact O-CG1 3.38Å; R112-I116 PolarHBondContact O-N 3.06Å; R112-I116 VanDerWaalsContact O-N 3.1Å
113L84.6Confident79.8Confident23 Ų2379.4 Ų79.412%0.1241%0.407CS..Hα-helixtrans-64.3-41.1173.9-72171.9000111.6R97 V100 Q101 T109 K110 A111 I116 D117R97-L113 HydrophobicContact CB-CD2 4.02Å; R97-L113 HydrophobicContact CG-CD2 3.75Å; V100-L113 HydrophobicContact CB-CD2 4.29Å; V100-L113 HydrophobicContact CG1-CD2 4.1Å; V100-L113 HydrophobicContact CG1-CG 3.97Å; Q101-L113 HydrophobicContact CG-CD1 4.42Å; Q101-L113 HydrophobicContact CG-CD2 4.4Å; T109-L113 HydrophobicContact CG2-CD1 4.22Å; T109-L113 VanDerWaalsContact O-CG 3.28Å; T109-L113 WeakPolarHBondContact O-CG 3.33Å; T109-L113 PolarHBondContact O-N 3.47Å; K110-L113 PolarHBondContact O-N 3.24Å; A111-L113 PolarHBondContact O-N 3.48Å; L113-I116 PolarHBondContact O-N 2.93Å; L113-D117 PolarHBondContact O-N 3.35Å
114A82.4Confident78.3Confident50 Ų5081 Ų8141%0.41341%0.414SS..Hα-helixtrans-63-43.9175.400000111.8K110 A111 I116 D117 E118K110-A114 PolarHBondContact O-N 3.36Å; A111-A114 WeakPolarHBondContact O-CB 3.37Å; A111-A114 PolarHBondContact O-N 3.18Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 3.22Å; A114-D117 PolarHBondContact O-N 3.1Å; A114-D117 VanDerWaalsContact O-N 3.16Å; A114-E118 PolarHBondContact O-N 2.92Å
115E85.7Confident76.9Confident128 Ų12888.4 Ų88.460%0.59844%0.44SS*.Hα-helixtrans-58.4-38.4174.8-72176.5-177.900112.4A111 R112 I119A111-E115 WeakPolarHBondContact O-CG 3.48Å; A111-E115 PolarHBondContact O-N 3.43Å; R112-E115 PolarHBondContact O-N 3.1Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å
116I83.4Confident75.7Confident15 Ų1583.2 Ų83.28%0.07742%0.424CS..Hα-helixtrans-66.7-42.7176.7-68.3161.3000110.9K93 E96 R97 V100 R112 L113 A114 E118 I119K93-I116 HydrophobicContact CB-CG2 3.75Å; K93-I116 HydrophobicContact CD-CG2 4.41Å; K93-I116 WeakPolarHBondContact CD-O 3.35Å; K93-I116 WeakPolarHBondContact CE-O 3.43Å; K93-I116 HydrophobicContact CG-CG2 3.8Å; E96-I116 HydrophobicContact CB-CD1 3.65Å; E96-I116 HydrophobicContact CB-CG1 4.14Å; R97-I116 HydrophobicContact CG-CD1 4.49Å; R97-I116 HydrophobicContact CG-CG2 4.1Å; V100-I116 HydrophobicContact CG2-CD1 3.99Å; R112-I116 WeakPolarHBondContact O-CD1 3.32Å; R112-I116 VanDerWaalsContact O-CG1 3.27Å; R112-I116 WeakPolarHBondContact O-CG1 3.38Å; R112-I116 PolarHBondContact O-N 3.06Å; R112-I116 VanDerWaalsContact O-N 3.1Å; L113-I116 PolarHBondContact O-N 2.93Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 3.22Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-I119 WeakPolarHBondContact O-CG1 3.31Å; I116-I119 PolarHBondContact O-N 3.3Å
117D81Confident74.2Confident80 Ų8082.5 Ų82.543%0.42842%0.423SS..Hα-helixtrans-69.6-32.6-177.2-72.7-24.5000111.9K93 R97 L113 A114 I119K93-D117 PolarHBondContact NZ-O 3.26Å; R97-D117 IonicContact CZ-OD1 3.74Å; R97-D117 IonicContact NH1-OD1 3.98Å; R97-D117 PolarHBondContact NH1-OD1 2.91Å; L113-D117 PolarHBondContact O-N 3.35Å; A114-D117 PolarHBondContact O-N 3.1Å; A114-D117 VanDerWaalsContact O-N 3.16Å; D117-I119 PolarHBondContact O-N 3.33Å
118E82.5Confident73.1Confident154 Ų15479 Ų7972%0.7241%0.41SS*.THydrogen-bonded Turntrans-66.4-15.4174.8-77.5-172.5176.200114.6A114 I116 T120A114-E118 PolarHBondContact O-N 2.92Å; I116-E118 VanDerWaalsContact C-N 3.33Å; E118-T120 PolarHBondContact O-N 3.22Å
119I82Confident71.8Confident44 Ų4478.6 Ų78.623%0.22641%0.411CS..  trans-67.5103.6179.4-52.7173.3000109.5L89 Y92 K93 E115 I116 D117L89-I119 HydrophobicContact CD1-CB 4.32Å; L89-I119 HydrophobicContact CD1-CG2 3.61Å; L89-I119 HydrophobicContact CD2-CG2 4.33Å; L89-I119 VanDerWaalsContact CD2-O 3.31Å; L89-I119 WeakPolarHBondContact CD2-O 3.36Å; Y92-I119 HydrophobicContact CE1-CD1 3.99Å; K93-I119 WeakPolarHBondContact CE-O 3.36Å; K93-I119 PolarHBondContact NZ-O 3.44Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å; I116-I119 WeakPolarHBondContact O-CG1 3.31Å; I116-I119 PolarHBondContact O-N 3.3Å; D117-I119 PolarHBondContact O-N 3.33Å
120T75.7Confident70.9Confident84 Ų8482.2 Ų82.252%0.51544%0.437SS..  trans-111.2140.9175.153.40000109.7E118E118-T120 PolarHBondContact O-N 3.22Å
121L72.6Confident70Confident7 Ų779.1 Ų79.14%0.03743%0.432CS..SBendtrans-86.9-35.1178.7-76.3168.6000112.8K25 I26 A85 Y86 L89K25-L121 HydrophobicContact CB-CD2 3.82Å; K25-L121 WeakPolarHBondContact CD-O 3.4Å; K25-L121 WeakPolarHBondContact CE-O 3.41Å; K25-L121 WeakPolarHBondContact O-CD2 3.4Å; I26-L121 HydrophobicContact CD1-CD1 3.7Å; I26-L121 HydrophobicContact CD1-CD2 3.44Å; I26-L121 VanDerWaalsContact CD1-CD2 3.44Å; I26-L121 HydrophobicContact CD1-CG 4.2Å; I26-L121 HydrophobicContact CG1-CD2 3.84Å; A85-L121 VanDerWaalsContact C-CD1 3.48Å; A85-L121 HydrophobicContact CB-CD1 4.14Å; A85-L121 WeakPolarHBondContact O-CD1 3.31Å; Y86-L121 HydrophobicContact CD1-CD1 4.4Å; L89-L121 HydrophobicContact CB-CD1 3.65Å; L89-L121 HydrophobicContact CB-CG 4.09Å; L89-L121 HydrophobicContact CD2-CB 4.45Å; L89-L121 HydrophobicContact CD2-CD1 3.91Å; L89-L121 HydrophobicContact CD2-CD2 4.43Å; L89-L121 HydrophobicContact CD2-CG 3.56Å; L89-L121 HydrophobicContact CG-CD1 4.37Å; L89-L121 HydrophobicContact CG-CG 4.32Å
122F68.7Low69.1Low11 Ų1182 Ų825%0.04844%0.437CS..SBendtrans-136.3144.3-177.2-44.9-91000106L21 I22 K25 K82 A85 Y86 D126L21-F122 WeakPolarHBondContact O-CE1 3.27Å; I22-F122 HydrophobicContact CG2-CZ 4.25Å; K25-F122 HydrophobicContact CD-CD1 4.34Å; K25-F122 HydrophobicContact CD-CE1 4.14Å; K82-F122 HydrophobicContact CB-CE2 4.15Å; K82-F122 HydrophobicContact CB-CZ 4Å; K82-F122 HydrophobicContact CD-CD1 4.32Å; K82-F122 HydrophobicContact CD-CE1 4.11Å; K82-F122 HydrophobicContact CD-CZ 4.34Å; K82-F122 HydrophobicContact CG-CD1 4.45Å; K82-F122 HydrophobicContact CG-CE1 3.77Å; K82-F122 HydrophobicContact CG-CE2 4.2Å; K82-F122 HydrophobicContact CG-CZ 3.63Å; A85-F122 HydrophobicContact CB-CE2 4.44Å; A85-F122 HydrophobicContact CB-CZ 4.36Å; Y86-F122 HydrophobicContact CD2-CD2 4.08Å; Y86-F122 AromaticContact CD2-CE2 3.93Å; Y86-F122 HydrophobicContact CD2-CE2 3.93Å; Y86-F122 AromaticContact CE1-CD2 3.97Å; Y86-F122 HydrophobicContact CE1-CD2 3.97Å; Y86-F122 AromaticContact CE2-CD2 3.32Å; Y86-F122 HydrophobicContact CE2-CD2 3.32Å; Y86-F122 AromaticContact CE2-CE2 3.62Å; Y86-F122 HydrophobicContact CE2-CE2 3.62Å; Y86-F122 HydrophobicContact CE2-CG 4.33Å; Y86-F122 AromaticContact CZ-CD2 3.27Å; Y86-F122 AromaticContact CZ-CE2 3.98Å; Y86-F122 WeakPolarHBondContact OH-CB 3.47Å; Y86-F122 VanDerWaalsContact OH-CD2 3.27Å; Y86-F122 WeakPolarHBondContact OH-CD2 3.46Å; F122-D126 HydrophobicContact CB-CB 4.5Å
123D61.6Low68.3Low139 Ų13984.5 Ų84.574%0.74345%0.45SS*.  trans-52.3142.3174.7-58.8-47.7000109.1E125 D126D123-E125 PolarHBondContact O-N 3.37Å; D123-D126 PolarHBondContact O-N 3.05Å
124E50.5Low67.6Low159 Ų15988.9 Ų88.974%0.74347%0.473SS*.G310 helixtrans-53.6-14.4-165.2-73.4-176.8150.500115.2D126 T127E124-D126 PolarHBondContact O-N 3.44Å; E124-D126 VanDerWaalsContact O-N 3.1Å; E124-T127 PolarHBondContact O-N 3.39Å; E124-T127 PolarHBondContact O-OG1 2.83Å
125E50.1Low67.2Low189 Ų18990.7 Ų90.788%0.88347%0.473SS*.G310 helixtrans-56.9-21.2176.2-66.6-172.1161.500114.6D123D123-E125 PolarHBondContact O-N 3.37Å
126D50.4Low66.4Low71 Ų7186.6 Ų86.638%0.3846%0.455SS..G310 helixtrans-96.8-11.2-178.9-94.3-32000115.1K82 F122 D123 E124K82-D126 IonicContact NZ-OD1 3.3Å; K82-D126 IonicContact NZ-OD2 2.7Å; K82-D126 PolarHBondContact NZ-OD2 3.25Å; F122-D126 HydrophobicContact CB-CB 4.5Å; D123-D126 PolarHBondContact O-N 3.05Å; E124-D126 PolarHBondContact O-N 3.44Å; E124-D126 VanDerWaalsContact O-N 3.1Å
127T50Low65.9Low72 Ų7289.2 Ų89.244%0.44247%0.471SS..SBendtrans-87.9-17.4-165.449.20000116.7Y86 E124Y86-T127 HydrophobicContact CE1-CG2 3.44Å; Y86-T127 VanDerWaalsContact CE1-CG2 3.44Å; Y86-T127 HydrophobicContact CE2-CG2 4.37Å; Y86-T127 WeakPolarHBondContact OH-CG2 3.39Å; E124-T127 PolarHBondContact O-N 3.39Å; E124-T127 PolarHBondContact O-OG1 2.83Å
128N56.3Low65.5Low91 Ų9190 Ų9049%0.48747%0.473SS..SBendtrans-101.60.5-173.2-126.53.6000114.4S130 A131 E132N128-S130 PolarHBondContact O-N 3.44Å; N128-S130 VanDerWaalsContact O-N 3.08Å; N128-A131 PolarHBondContact O-N 3.44Å; N128-A131 WeakPolarHBondContact OD1-CB 3.46Å; N128-E132 HydrophobicContact CB-CG 4.2Å; N128-E132 WeakPolarHBondContact O-CB 3.46Å; N128-E132 WeakPolarHBondContact O-CG 3.26Å; N128-E132 PolarHBondContact O-N 3.41Å
129T57Low65.3Low87 Ų8784.6 Ų84.653%0.53445%0.448SS..Hα-helixtrans-53.6-38.6-172.8-51.60000113.1F133T129-F133 WeakPolarHBondContact O-CB 3.06Å; T129-F133 PolarHBondContact O-N 3.43Å
130S63.6Low64.8Low83 Ų8386.9 Ų86.958%0.5846%0.457SS*.Hα-helixtrans-74.4-39.6178.954.20000112.9N128 F133 L134N128-S130 PolarHBondContact O-N 3.44Å; N128-S130 VanDerWaalsContact O-N 3.08Å; S130-F133 PolarHBondContact O-N 3Å; S130-L134 WeakPolarHBondContact O-CB 3.17Å; S130-L134 VanDerWaalsContact O-CG 3.26Å; S130-L134 WeakPolarHBondContact O-CG 3.42Å; S130-L134 PolarHBondContact O-N 3.2Å
131A63.4Low64.6Low47 Ų4792.7 Ų92.739%0.38847%0.471SS..Hα-helixtrans-68.8-44.9176.500000111.1N128 F133 L134 Q135N128-A131 PolarHBondContact O-N 3.44Å; N128-A131 WeakPolarHBondContact OD1-CB 3.46Å; A131-F133 VanDerWaalsContact C-N 3.32Å; A131-F133 PolarHBondContact O-N 3.1Å; A131-L134 PolarHBondContact O-N 3.09Å; A131-Q135 VanDerWaalsContact O-CB 3.32Å; A131-Q135 WeakPolarHBondContact O-CB 3.38Å; A131-Q135 PolarHBondContact O-N 3.42Å
132E64.8Low64.8Low110 Ų11096.9 Ų96.951%0.51449%0.49SS..Hα-helixtrans-61.2-41172-72.1-179.3-177.400111.5N128 Q135 N136N128-E132 HydrophobicContact CB-CG 4.2Å; N128-E132 WeakPolarHBondContact O-CB 3.46Å; N128-E132 WeakPolarHBondContact O-CG 3.26Å; N128-E132 PolarHBondContact O-N 3.41Å; E132-Q135 PolarHBondContact O-N 3.09Å; E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.32Å; E132-N136 PolarHBondContact O-N 3.22Å; E132-N136 PolarHBondContact O-ND2 3.26Å
133F67.7Low65.1Low131 Ų13199.4 Ų99.458%0.57552%0.519SS*.Hα-helixtrans-62.2-47.2174.4176-98.5000111.6T129 S130 A131 Q135 N136 V137T129-F133 WeakPolarHBondContact O-CB 3.06Å; T129-F133 PolarHBondContact O-N 3.43Å; S130-F133 PolarHBondContact O-N 3Å; A131-F133 VanDerWaalsContact C-N 3.32Å; A131-F133 PolarHBondContact O-N 3.1Å; F133-Q135 PolarHBondContact O-N 2.88Å; F133-N136 WeakPolarHBondContact O-CB 3.46Å; F133-N136 PolarHBondContact O-N 2.89Å; F133-V137 HydrophobicContact CD1-CG2 4.2Å; F133-V137 HydrophobicContact CD2-CG2 4.5Å; F133-V137 HydrophobicContact CE1-CG2 3.75Å; F133-V137 HydrophobicContact CE2-CG2 4.09Å; F133-V137 HydrophobicContact CZ-CG2 3.69Å; F133-V137 VanDerWaalsContact O-CG2 3.31Å; F133-V137 WeakPolarHBondContact O-CG2 3.47Å; F133-V137 PolarHBondContact O-N 3.31Å
134L70.9Confident65.9Low114 Ų11497.4 Ų97.460%0.59750%0.504SS*.Hα-helixtrans-63.2-41.4177.8-74.5172.5000111.7S130 A131 V137 Q138S130-L134 WeakPolarHBondContact O-CB 3.17Å; S130-L134 VanDerWaalsContact O-CG 3.26Å; S130-L134 WeakPolarHBondContact O-CG 3.42Å; S130-L134 PolarHBondContact O-N 3.2Å; A131-L134 PolarHBondContact O-N 3.09Å; L134-V137 PolarHBondContact O-N 3.39Å; L134-Q138 WeakPolarHBondContact O-CB 3.47Å; L134-Q138 PolarHBondContact O-N 3.19Å
135Q73.4Confident66.9Low88 Ų8895.3 Ų95.341%0.41150%0.504SS..Hα-helixtrans-60.9-47.2174.1-174.458.15100110.8A131 E132 F133 V137 Q138 D139A131-Q135 VanDerWaalsContact O-CB 3.32Å; A131-Q135 WeakPolarHBondContact O-CB 3.38Å; A131-Q135 PolarHBondContact O-N 3.42Å; E132-Q135 PolarHBondContact O-N 3.09Å; F133-Q135 PolarHBondContact O-N 2.88Å; Q135-V137 VanDerWaalsContact C-N 3.3Å; Q135-V137 PolarHBondContact O-N 3.04Å; Q135-Q138 PolarHBondContact O-N 2.7Å; Q135-Q138 VanDerWaalsContact O-N 3.15Å; Q135-D139 PolarHBondContact NE2-OD1 3.11Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.09Å; Q135-D139 PolarHBondContact NE2-OD2 3.41Å; Q135-D139 WeakPolarHBondContact O-CB 3Å; Q135-D139 VanDerWaalsContact O-CG 3.31Å; Q135-D139 PolarHBondContact O-N 2.89Å
136N69.5Low68.3Low43 Ų4387.5 Ų87.523%0.2347%0.468CS..Hα-helixtrans-60.5-37.1175.4-79.8-57.4000112.9E132 F133 K140 R148E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.32Å; E132-N136 PolarHBondContact O-N 3.22Å; E132-N136 PolarHBondContact O-ND2 3.26Å; F133-N136 WeakPolarHBondContact O-CB 3.46Å; F133-N136 PolarHBondContact O-N 2.89Å; N136-K140 WeakPolarHBondContact O-CB 3.43Å; N136-K140 VanDerWaalsContact O-CG 3.27Å; N136-K140 WeakPolarHBondContact O-CG 3.44Å; N136-K140 PolarHBondContact O-N 3.17Å; N136-K140 VanDerWaalsContact O-N 3.11Å; N136-R148 PolarHBondContact ND2-NH1 3.37Å; N136-R148 PolarHBondContact OD1-NH2 3.47Å
137V71.8Confident69.7Low69 Ų6992.3 Ų92.342%0.41849%0.489SS..Hα-helixtrans-68.8-42.3175.31690000110.5F133 L134 Q135 K140 Y141F133-V137 HydrophobicContact CD1-CG2 4.2Å; F133-V137 HydrophobicContact CD2-CG2 4.5Å; F133-V137 HydrophobicContact CE1-CG2 3.75Å; F133-V137 HydrophobicContact CE2-CG2 4.09Å; F133-V137 HydrophobicContact CZ-CG2 3.69Å; F133-V137 VanDerWaalsContact O-CG2 3.31Å; F133-V137 WeakPolarHBondContact O-CG2 3.47Å; F133-V137 PolarHBondContact O-N 3.31Å; L134-V137 PolarHBondContact O-N 3.39Å; Q135-V137 VanDerWaalsContact C-N 3.3Å; Q135-V137 PolarHBondContact O-N 3.04Å; V137-K140 PolarHBondContact O-N 2.98Å; V137-Y141 WeakPolarHBondContact O-CB 3.46Å; V137-Y141 PolarHBondContact O-N 3.2Å
138Q72.4Confident71.2Confident97 Ų9793.1 Ų93.145%0.45348%0.484SS..Hα-helixtrans-64-45.1176.4-177.6172.5-12.600111.4L134 Q135 K140 Y141 E142L134-Q138 WeakPolarHBondContact O-CB 3.47Å; L134-Q138 PolarHBondContact O-N 3.19Å; Q135-Q138 PolarHBondContact O-N 2.7Å; Q135-Q138 VanDerWaalsContact O-N 3.15Å; Q138-K140 VanDerWaalsContact C-N 3.3Å; Q138-K140 PolarHBondContact O-N 3.28Å; Q138-Y141 WeakPolarHBondContact O-CB 3.32Å; Q138-Y141 PolarHBondContact O-N 3.42Å; Q138-Y141 VanDerWaalsContact O-N 3.09Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.43Å; Q138-E142 PolarHBondContact NE2-OE1 3.42Å; Q138-E142 WeakPolarHBondContact O-CG 3.25Å; Q138-E142 PolarHBondContact O-N 2.87Å
139D79.2Confident72.7Confident40 Ų4090.5 Ų90.521%0.21447%0.469CS..Hα-helixtrans-61-40.8177-71.1-33.9000111.3Q135 E142 G143 K144Q135-D139 PolarHBondContact NE2-OD1 3.11Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.09Å; Q135-D139 PolarHBondContact NE2-OD2 3.41Å; Q135-D139 WeakPolarHBondContact O-CB 3Å; Q135-D139 VanDerWaalsContact O-CG 3.31Å; Q135-D139 PolarHBondContact O-N 2.89Å; D139-E142 CarbonylContact O-C 3.56Å; D139-E142 PolarHBondContact O-N 3.34Å; D139-G143 PolarHBondContact O-N 2.88Å; D139-G143 VanDerWaalsContact O-N 3.17Å; D139-K144 HydrophobicContact CB-CB 4.11Å; D139-K144 HydrophobicContact CB-CD 3.92Å; D139-K144 WeakPolarHBondContact O-CB 3.27Å; D139-K144 PolarHBondContact O-N 3.08Å; D139-K144 WeakPolarHBondContact OD1-CD 3.4Å; D139-K144 IonicContact OD1-NZ 3.94Å; D139-K144 PolarHBondContact OD1-NZ 3.49Å
140K72.3Confident74.3Confident92 Ų9286.9 Ų86.940%0.445%0.446SS..Hα-helixtrans-62.5-42.2172.2-77.2176.3-176.5-176.30112.7N136 V137 Q138 E142 G143 D146N136-K140 WeakPolarHBondContact O-CB 3.43Å; N136-K140 VanDerWaalsContact O-CG 3.27Å; N136-K140 WeakPolarHBondContact O-CG 3.44Å; N136-K140 PolarHBondContact O-N 3.17Å; N136-K140 VanDerWaalsContact O-N 3.11Å; V137-K140 PolarHBondContact O-N 2.98Å; Q138-K140 VanDerWaalsContact C-N 3.3Å; Q138-K140 PolarHBondContact O-N 3.28Å; K140-E142 VanDerWaalsContact C-N 3.3Å; K140-E142 PolarHBondContact O-N 3.28Å; K140-G143 PolarHBondContact O-N 3.47Å; K140-G143 VanDerWaalsContact O-N 3.11Å; K140-D146 WeakPolarHBondContact CE-OD2 3.22Å; K140-D146 IonicContact NZ-OD2 3.45Å; K140-D146 PolarHBondContact NZ-OD2 2.98Å
141Y70.3Confident75.5Confident206 Ų20688.3 Ų88.381%0.80844%0.442SS*.Hα-helixtrans-63.5-37.1176.9179.8-98.4000111.9V137 Q138 G143V137-Y141 WeakPolarHBondContact O-CB 3.46Å; V137-Y141 PolarHBondContact O-N 3.2Å; Q138-Y141 WeakPolarHBondContact O-CB 3.32Å; Q138-Y141 PolarHBondContact O-N 3.42Å; Q138-Y141 VanDerWaalsContact O-N 3.09Å; Y141-G143 PolarHBondContact O-N 3.11Å
142E77.3Confident76.6Confident96 Ų9686.1 Ų86.145%0.44942%0.424SS..THydrogen-bonded Turntrans-76.3-3.2175.1-69173.5-17000113.3Q138 D139 K140 K144Q138-E142 WeakPolarHBondContact CG-OE1 3.43Å; Q138-E142 PolarHBondContact NE2-OE1 3.42Å; Q138-E142 WeakPolarHBondContact O-CG 3.25Å; Q138-E142 PolarHBondContact O-N 2.87Å; D139-E142 CarbonylContact O-C 3.56Å; D139-E142 PolarHBondContact O-N 3.34Å; K140-E142 VanDerWaalsContact C-N 3.3Å; K140-E142 PolarHBondContact O-N 3.28Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 HydrophobicContact CB-CG 4.45Å; E142-K144 PolarHBondContact O-N 3.5Å; E142-K144 WeakPolarHBondContact OE2-CE 3.09Å; E142-K144 IonicContact OE2-NZ 2.78Å; E142-K144 PolarHBondContact OE2-NZ 3.43Å
143G75.6Confident77.6Confident64 Ų6483 Ų8366%0.6642%0.421SS*.THydrogen-bonded Turntrans73.317.8-179.300000114D139 K140 Y141D139-G143 PolarHBondContact O-N 2.88Å; D139-G143 VanDerWaalsContact O-N 3.17Å; K140-G143 PolarHBondContact O-N 3.47Å; K140-G143 VanDerWaalsContact O-N 3.11Å; Y141-G143 PolarHBondContact O-N 3.11Å
144K76.6Confident78.2Confident97 Ų9777.5 Ų77.542%0.42240%0.397SS..  trans-69141.5172.5-69.3167.9176.3157.80109.6D139 E142 D146D139-K144 HydrophobicContact CB-CB 4.11Å; D139-K144 HydrophobicContact CB-CD 3.92Å; D139-K144 WeakPolarHBondContact O-CB 3.27Å; D139-K144 PolarHBondContact O-N 3.08Å; D139-K144 WeakPolarHBondContact OD1-CD 3.4Å; D139-K144 IonicContact OD1-NZ 3.94Å; D139-K144 PolarHBondContact OD1-NZ 3.49Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 HydrophobicContact CB-CG 4.45Å; E142-K144 PolarHBondContact O-N 3.5Å; E142-K144 WeakPolarHBondContact OE2-CE 3.09Å; E142-K144 IonicContact OE2-NZ 2.78Å; E142-K144 PolarHBondContact OE2-NZ 3.43Å; K144-D146 PolarHBondContact O-N 2.88Å
145P73.5Confident78.6Confident115 Ų11576.4 Ų76.475%0.74740%0.397SS*.  trans-62.9132.917625.3-31.5000110.2E147P145-E147 PolarHBondContact O-N 2.91Å; P145-E147 VanDerWaalsContact O-N 3.14Å
146D77.8Confident78.6Confident24 Ų2474.4 Ų74.413%0.12839%0.392CS..  trans-71.8105.1172.7-170.1-22.6000108.2K140 K144 R148 I149K140-D146 WeakPolarHBondContact CE-OD2 3.22Å; K140-D146 IonicContact NZ-OD2 3.45Å; K140-D146 PolarHBondContact NZ-OD2 2.98Å; K144-D146 PolarHBondContact O-N 2.88Å; D146-R148 PolarHBondContact O-N 3.42Å; D146-R148 VanDerWaalsContact OD1-CB 3.28Å; D146-R148 WeakPolarHBondContact OD1-CB 3.26Å; D146-R148 IonicContact OD1-CZ 2.69Å; D146-R148 PolarHBondContact OD1-N 2.88Å; D146-R148 VanDerWaalsContact OD1-N 3.16Å; D146-R148 IonicContact OD1-NE 3.32Å; D146-R148 PolarHBondContact OD1-NE 3.42Å; D146-R148 IonicContact OD1-NH2 2.8Å; D146-R148 PolarHBondContact OD1-NH2 2.94Å; D146-R148 IonicContact OD2-CZ 3.34Å; D146-R148 IonicContact OD2-NE 2.71Å; D146-R148 IonicContact OD2-NH2 3.1Å; D146-R148 PolarHBondContact OD2-NH2 3.34Å; D146-I149 HydrophobicContact CB-CB 4.42Å; D146-I149 HydrophobicContact CB-CD1 3.82Å; D146-I149 HydrophobicContact CB-CG1 3.95Å; D146-I149 WeakPolarHBondContact O-CB 3.31Å; D146-I149 PolarHBondContact O-N 2.98Å
147E81.3Confident78.7Confident172 Ų17273.2 Ų73.280%0.80439%0.386SS*.THydrogen-bonded Turntrans-62.3-15.1-177.3-62.7-170.916800113.5P145 I149P145-E147 PolarHBondContact O-N 2.91Å; P145-E147 VanDerWaalsContact O-N 3.14Å; E147-I149 VanDerWaalsContact C-N 3.25Å
148R81.9Confident78.8Confident89 Ų8970.6 Ų70.634%0.33637%0.369SS..THydrogen-bonded Turntrans-77.6-12.3173-55.2170.7-63.8-164.2-6.7112.3N136 D146 R165 K166N136-R148 PolarHBondContact ND2-NH1 3.37Å; N136-R148 PolarHBondContact OD1-NH2 3.47Å; D146-R148 PolarHBondContact O-N 3.42Å; D146-R148 VanDerWaalsContact OD1-CB 3.28Å; D146-R148 WeakPolarHBondContact OD1-CB 3.26Å; D146-R148 IonicContact OD1-CZ 2.69Å; D146-R148 PolarHBondContact OD1-N 2.88Å; D146-R148 VanDerWaalsContact OD1-N 3.16Å; D146-R148 IonicContact OD1-NE 3.32Å; D146-R148 PolarHBondContact OD1-NE 3.42Å; D146-R148 IonicContact OD1-NH2 2.8Å; D146-R148 PolarHBondContact OD1-NH2 2.94Å; D146-R148 IonicContact OD2-CZ 3.34Å; D146-R148 IonicContact OD2-NE 2.71Å; D146-R148 IonicContact OD2-NH2 3.1Å; D146-R148 PolarHBondContact OD2-NH2 3.34Å; R148-R165 CarbonylContact O-C 3.56Å; R148-R165 VanDerWaalsContact O-CA 3.24Å; R148-R165 WeakPolarHBondContact O-CA 3.36Å; R148-K166 HydrophobicContact CB-CB 4.47Å; R148-K166 WeakPolarHBondContact O-CG 3.32Å; R148-K166 PolarHBondContact O-N 3.05Å
149I86.1Confident78.6Confident37 Ų3772.5 Ų72.519%0.1938%0.383CS..EExtended strand (participates in β ladder)trans-103.6125.7-178.1-59.4-179.7000109.6D146 E147 G162 R165D146-I149 HydrophobicContact CB-CB 4.42Å; D146-I149 HydrophobicContact CB-CD1 3.82Å; D146-I149 HydrophobicContact CB-CG1 3.95Å; D146-I149 WeakPolarHBondContact O-CB 3.31Å; D146-I149 PolarHBondContact O-N 2.98Å; E147-I149 VanDerWaalsContact C-N 3.25Å; I149-G162 WeakPolarHBondContact CG2-O 3.46Å; I149-R165 HydrophobicContact CD1-CG 4.25Å; I149-R165 HydrophobicContact CG1-CG 3.63Å
150I90.6Very high77.9Confident10 Ų1075.1 Ų75.15%0.05139%0.392CS..EExtended strand (participates in β ladder)trans-105.2116.6172.3-40.2-174.4000108.2G163 F164 Y191 K196 D270 I271 P310I150-G163 CarbonylContact O-C 3.58Å; I150-G163 WeakPolarHBondContact O-CA 3.48Å; I150-F164 PolarHBondContact N-O 3.35Å; I150-F164 PolarHBondContact O-N 3.5Å; I150-Y191 HydrophobicContact CB-CD1 4.5Å; I150-Y191 HydrophobicContact CB-CE1 3.95Å; I150-Y191 HydrophobicContact CG2-CD1 3.46Å; I150-Y191 VanDerWaalsContact CG2-CD1 3.46Å; I150-Y191 HydrophobicContact CG2-CE1 3.33Å; I150-K196 HydrophobicContact CG2-CD 4.46Å; I150-K196 HydrophobicContact CG2-CG 4.05Å; I150-D270 HydrophobicContact CD1-CB 4.44Å; I150-D270 WeakPolarHBondContact CD1-O 3.15Å; I150-I271 HydrophobicContact CD1-CB 4.39Å; I150-P310 HydrophobicContact CD1-CG 3.91Å; I150-P310 HydrophobicContact CG1-CG 4.23Å
151K90.4Very high77.9Confident114 Ų11473.4 Ų73.450%0.49639%0.386SS..  trans-68.5135.1179-67.2-66.8-173.8176.10110.8G153 D158 G162 Y191K151-G153 PolarHBondContact O-N 3.38Å; K151-D158 WeakPolarHBondContact CB-OD2 3.37Å; K151-D158 HydrophobicContact CD-CB 3.88Å; K151-G162 VanDerWaalsContact CD-O 3.25Å; K151-G162 WeakPolarHBondContact CD-O 3.43Å; K151-G162 WeakPolarHBondContact CE-O 3.28Å; K151-G162 PolarHBondContact NZ-O 2.89Å; K151-Y191 WeakPolarHBondContact O-CE1 3.19Å
152T85.3Confident77.9Confident0 Ų064.7 Ų64.70%036%0.359CS..  trans-66.6-19.6-178.664.30000113.5Y154 I157 D158 F164 L187 N190 Y191T152-Y154 PolarHBondContact OG1-N 3.24Å; T152-I157 HydrophobicContact CG2-CG2 4.01Å; T152-D158 WeakPolarHBondContact CB-OD1 2.88Å; T152-D158 WeakPolarHBondContact CG2-OD1 3.34Å; T152-D158 PolarHBondContact N-OD1 3.07Å; T152-D158 PolarHBondContact N-OD2 3.01Å; T152-D158 PolarHBondContact OG1-OD1 3Å; T152-D158 PolarHBondContact OG1-OD2 3.49Å; T152-F164 HydrophobicContact CG2-CD1 4.34Å; T152-F164 HydrophobicContact CG2-CE1 4.01Å; T152-F164 HydrophobicContact CG2-CE2 4.18Å; T152-F164 HydrophobicContact CG2-CZ 3.91Å; T152-L187 HydrophobicContact CG2-CD2 4.27Å; T152-N190 WeakPolarHBondContact O-CB 3.34Å; T152-N190 PolarHBondContact O-ND2 2.91Å; T152-Y191 WeakPolarHBondContact CA-OH 3.39Å
153G85.8Confident78Confident45 Ų4560.3 Ų60.346%0.46434%0.34SS..SBendtrans84.7-1.7-174.300000113.1K151 P155 D158K151-G153 PolarHBondContact O-N 3.38Å; G153-P155 WeakPolarHBondContact O-CD 3.45Å; G153-D158 PolarHBondContact N-OD2 3.1Å; G153-D158 VanDerWaalsContact N-OD2 3.07Å
154Y80.9Confident78.5Confident15 Ų1558 Ų586%0.05931%0.312CS..  trans-104105.2170.5-64.7-71.6000108.8T152 C156 I157 D158 F183 N186 L187 N190 L391 I393T152-Y154 PolarHBondContact OG1-N 3.24Å; Y154-C156 PolarHBondContact O-N 2.97Å; Y154-C156 VanDerWaalsContact O-N 3.16Å; Y154-I157 HydrophobicContact CD2-CD1 3.8Å; Y154-I157 HydrophobicContact CG-CD1 3.96Å; Y154-I157 PolarHBondContact O-N 2.79Å; Y154-D158 PolarHBondContact O-N 2.81Å; Y154-F183 HydrophobicContact CD2-CE2 4.14Å; Y154-F183 HydrophobicContact CE2-CD2 4.31Å; Y154-F183 AromaticContact CE2-CE2 3.68Å; Y154-F183 HydrophobicContact CE2-CE2 3.68Å; Y154-N186 WeakPolarHBondContact OH-CB 3.5Å; Y154-L187 HydrophobicContact CD2-CD2 3.68Å; Y154-L187 HydrophobicContact CE2-CD2 3.55Å; Y154-L187 HydrophobicContact CE2-CG 4.02Å; Y154-N190 WeakPolarHBondContact CE2-ND2 3.44Å; Y154-L391 WeakPolarHBondContact CD1-O 3.32Å; Y154-L391 WeakPolarHBondContact CE1-O 3.4Å; Y154-I393 HydrophobicContact CE1-CG1 4.44Å
155P78Confident78.9Confident91 Ų9158.3 Ų58.359%0.59131%0.31SS*.Hα-helixtrans-53.6-40.2-178.2-28.135.6000112.9G153 I157 D158 D159G153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-I157 PolarHBondContact O-N 2.85Å; P155-D158 PolarHBondContact O-N 3.27Å; P155-D159 VanDerWaalsContact O-CB 3.25Å; P155-D159 WeakPolarHBondContact O-CB 3.34Å; P155-D159 PolarHBondContact O-N 3.01Å
156C74Confident79.6Confident47 Ų4756.3 Ų56.332%0.31829%0.29SS..Hα-helixtrans-62.2-28.7178.458.20000114.2Y154 K160Y154-C156 PolarHBondContact O-N 2.97Å; Y154-C156 VanDerWaalsContact O-N 3.16Å; C156-K160 WeakPolarHBondContact O-CG 3.26Å
157I72.7Confident80Confident18 Ų1857 Ų579%0.09230%0.297CS..Hα-helixtrans-85.3-48.8175.3-57.8178.8000108.9T152 Y154 P155 D159 K160 I161 F183 L391T152-I157 HydrophobicContact CG2-CG2 4.01Å; Y154-I157 HydrophobicContact CD2-CD1 3.8Å; Y154-I157 HydrophobicContact CG-CD1 3.96Å; Y154-I157 PolarHBondContact O-N 2.79Å; P155-I157 PolarHBondContact O-N 2.85Å; I157-D159 VanDerWaalsContact C-N 3.27Å; I157-D159 PolarHBondContact O-N 3.29Å; I157-K160 PolarHBondContact O-N 2.78Å; I157-I161 HydrophobicContact CG2-CD1 3.64Å; I157-I161 HydrophobicContact CG2-CG1 3.79Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 2.72Å; I157-F183 HydrophobicContact CD1-CE2 4.11Å; I157-F183 HydrophobicContact CD1-CZ 3.83Å; I157-L391 HydrophobicContact CD1-CD2 3.59Å; I157-L391 HydrophobicContact CG1-CD2 4.24Å
158D74.1Confident80Confident14 Ų1452.4 Ų52.48%0.07528%0.275CS..Hα-helixtrans-62.8-30.3-176.9-73.5-24.2000113.7K151 T152 G153 Y154 P155 K160 G162K151-D158 WeakPolarHBondContact CB-OD2 3.37Å; K151-D158 HydrophobicContact CD-CB 3.88Å; T152-D158 WeakPolarHBondContact CB-OD1 2.88Å; T152-D158 WeakPolarHBondContact CG2-OD1 3.34Å; T152-D158 PolarHBondContact N-OD1 3.07Å; T152-D158 PolarHBondContact N-OD2 3.01Å; T152-D158 PolarHBondContact OG1-OD1 3Å; T152-D158 PolarHBondContact OG1-OD2 3.49Å; G153-D158 PolarHBondContact N-OD2 3.1Å; G153-D158 VanDerWaalsContact N-OD2 3.07Å; Y154-D158 PolarHBondContact O-N 2.81Å; P155-D158 PolarHBondContact O-N 3.27Å; D158-K160 VanDerWaalsContact C-N 3.31Å; D158-G162 CarbonylContact O-C 2.87Å; D158-G162 WeakPolarHBondContact O-CA 3.48Å; D158-G162 PolarHBondContact O-N 2.86Å
159D67.1Low80.1Confident137 Ų13749.3 Ų49.373%0.73327%0.269SS*.Hα-helixtrans-71.5-28.7174.5-71.4-17.2000111.8P155 I157P155-D159 VanDerWaalsContact O-CB 3.25Å; P155-D159 WeakPolarHBondContact O-CB 3.34Å; P155-D159 PolarHBondContact O-N 3.01Å; I157-D159 VanDerWaalsContact C-N 3.27Å; I157-D159 PolarHBondContact O-N 3.29Å
160K63.8Low80Confident95 Ų9548.9 Ų48.941%0.41327%0.268SS..Hα-helixtrans-88.4-50.2-178.6-70.4-171.5172.9-163.40112.7C156 I157 D158 K358 L359C156-K160 WeakPolarHBondContact O-CG 3.26Å; I157-K160 PolarHBondContact O-N 2.78Å; D158-K160 VanDerWaalsContact C-N 3.31Å; K160-K358 PolarHBondContact NZ-O 2.84Å; K160-L359 HydrophobicContact CD-CD1 4.03Å; K160-L359 HydrophobicContact CD-CD2 4.07Å; K160-L359 HydrophobicContact CD-CG 3.75Å; K160-L359 VanDerWaalsContact NZ-CG 3.25Å
161I73.1Confident79.5Confident55 Ų5552.8 Ų52.828%0.28229%0.285SS..Hα-helixtrans-101.6-10.1-175.266.7166000113.2I157 G163 F164I157-I161 HydrophobicContact CG2-CD1 3.64Å; I157-I161 HydrophobicContact CG2-CG1 3.79Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 2.72Å; I161-G163 PolarHBondContact O-N 3.05Å; I161-F164 HydrophobicContact CD1-CD1 3.92Å; I161-F164 HydrophobicContact CD1-CE1 3.63Å
162G69.3Low79Confident23 Ų2348.6 Ų48.624%0.23727%0.267CS..  trans82-17.3-176.300000114.6I149 K151 D158I149-G162 WeakPolarHBondContact CG2-O 3.46Å; K151-G162 VanDerWaalsContact CD-O 3.25Å; K151-G162 WeakPolarHBondContact CD-O 3.43Å; K151-G162 WeakPolarHBondContact CE-O 3.28Å; K151-G162 PolarHBondContact NZ-O 2.89Å; D158-G162 CarbonylContact O-C 2.87Å; D158-G162 WeakPolarHBondContact O-CA 3.48Å; D158-G162 PolarHBondContact O-N 2.86Å
163G81Confident78.3Confident5 Ų550.7 Ų50.75%0.05229%0.29CS..SBendtrans115.6-176.7-172.400000110.9I150 I161I150-G163 CarbonylContact O-C 3.58Å; I150-G163 WeakPolarHBondContact O-CA 3.48Å; I161-G163 PolarHBondContact O-N 3.05Å
164F85.2Confident77.4Confident14 Ų1448.9 Ų48.96%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-93.5130.1176.6-59.6-25.8000110.9I150 T152 I161 V170 L187 Y191 I271 P310 V312I150-F164 PolarHBondContact N-O 3.35Å; I150-F164 PolarHBondContact O-N 3.5Å; T152-F164 HydrophobicContact CG2-CD1 4.34Å; T152-F164 HydrophobicContact CG2-CE1 4.01Å; T152-F164 HydrophobicContact CG2-CE2 4.18Å; T152-F164 HydrophobicContact CG2-CZ 3.91Å; I161-F164 HydrophobicContact CD1-CD1 3.92Å; I161-F164 HydrophobicContact CD1-CE1 3.63Å; F164-V170 HydrophobicContact CB-CG2 4.42Å; F164-V170 HydrophobicContact CD1-CG1 4.35Å; F164-V170 HydrophobicContact CD1-CG2 3.87Å; F164-V170 HydrophobicContact CD2-CG2 4.49Å; F164-V170 HydrophobicContact CE1-CG1 3.86Å; F164-V170 HydrophobicContact CE1-CG2 4.24Å; F164-V170 HydrophobicContact CG-CG2 4.03Å; F164-V170 HydrophobicContact CZ-CG1 4Å; F164-L187 HydrophobicContact CE2-CD1 4.5Å; F164-Y191 HydrophobicContact CD2-CE2 4.44Å; F164-Y191 AromaticContact CD2-CZ 4Å; F164-Y191 WeakPolarHBondContact CD2-OH 3.42Å; F164-Y191 HydrophobicContact CE2-CE2 4.43Å; F164-Y191 WeakPolarHBondContact CE2-OH 2.99Å; F164-I271 HydrophobicContact CD2-CD1 3.93Å; F164-P310 HydrophobicContact CB-CB 3.8Å; F164-P310 HydrophobicContact CB-CG 4.02Å; F164-V312 HydrophobicContact CD2-CG2 3.78Å; F164-V312 HydrophobicContact CE2-CG2 3.6Å
165R85.2Confident76.9Confident104 Ų10450.7 Ų50.739%0.39228%0.282SS..EExtended strand (participates in β ladder)trans-87149.8177.6-64.7153178.3-124.18.2111.2R148 I149 E168 P310R148-R165 CarbonylContact O-C 3.56Å; R148-R165 VanDerWaalsContact O-CA 3.24Å; R148-R165 WeakPolarHBondContact O-CA 3.36Å; I149-R165 HydrophobicContact CD1-CG 4.25Å; I149-R165 HydrophobicContact CG1-CG 3.63Å; R165-E168 VanDerWaalsContact CB-CD 3.48Å; R165-E168 HydrophobicContact CB-CG 3.99Å; R165-E168 WeakPolarHBondContact CB-OE2 3.21Å; R165-E168 VanDerWaalsContact CD-OE1 3.26Å; R165-E168 WeakPolarHBondContact CD-OE1 3.25Å; R165-E168 PolarHBondContact N-OE2 2.91Å; R165-E168 WeakPolarHBondContact O-CB 3.48Å; R165-E168 PolarHBondContact O-N 2.78Å; R165-P310 WeakPolarHBondContact O-CG 3.25Å
166K88.8Confident76.4Confident73 Ų7349.2 Ų49.232%0.31728%0.277SS..THydrogen-bonded Turntrans-54151.7165.3-69.2-175.4176.3-168.30110.3R148 E168 D308R148-K166 HydrophobicContact CB-CB 4.47Å; R148-K166 WeakPolarHBondContact O-CG 3.32Å; R148-K166 PolarHBondContact O-N 3.05Å; K166-E168 PolarHBondContact O-N 2.98Å; K166-D308 WeakPolarHBondContact CB-O 3.48Å; K166-D308 WeakPolarHBondContact CB-OD1 3.35Å; K166-D308 WeakPolarHBondContact CD-O 3.04Å; K166-D308 WeakPolarHBondContact CD-OD2 3.32Å; K166-D308 WeakPolarHBondContact CG-O 3.38Å
167S85.2Confident76.2Confident38 Ų3849.6 Ų49.627%0.26629%0.288SS..THydrogen-bonded Turntrans65.77.3-177.5-70.60000116.1A304 D308 I309S167-A304 WeakPolarHBondContact CA-O 3.46Å; S167-D308 PolarHBondContact OG-OD1 2.9Å; S167-I309 PolarHBondContact N-O 3.2Å
168E81.6Confident76.2Confident76 Ų7649.3 Ų49.336%0.35529%0.288SS..  trans-99.8142.8176.5-68-177.516600113.2R165 K166 A304 P310 V311R165-E168 VanDerWaalsContact CB-CD 3.48Å; R165-E168 HydrophobicContact CB-CG 3.99Å; R165-E168 WeakPolarHBondContact CB-OE2 3.21Å; R165-E168 VanDerWaalsContact CD-OE1 3.26Å; R165-E168 WeakPolarHBondContact CD-OE1 3.25Å; R165-E168 PolarHBondContact N-OE2 2.91Å; R165-E168 WeakPolarHBondContact O-CB 3.48Å; R165-E168 PolarHBondContact O-N 2.78Å; K166-E168 PolarHBondContact O-N 2.98Å; E168-A304 WeakPolarHBondContact O-CB 3.41Å; E168-P310 WeakPolarHBondContact O-CA 3.45Å; E168-V311 PolarHBondContact O-N 3.24Å
169A83.2Confident76.3Confident25 Ų2550 Ų5021%0.20730%0.299CS..EExtended strand (participates in β ladder)trans-101.6114.1166.600000109.1F171 I300 K301 V311A169-F171 HydrophobicContact CB-CE2 3.93Å; A169-F171 HydrophobicContact CB-CZ 4.32Å; A169-I300 HydrophobicContact CB-CG2 4.06Å; A169-K301 HydrophobicContact CB-CB 4.15Å; A169-V311 CarbonylContact C-O 3.59Å; A169-V311 WeakPolarHBondContact CA-O 3.17Å
170V84.1Confident76.9Confident28 Ų2844.8 Ų44.817%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-99.6127-179.1-1800000108.6F164 V311 V312 C313F164-V170 HydrophobicContact CB-CG2 4.42Å; F164-V170 HydrophobicContact CD1-CG1 4.35Å; F164-V170 HydrophobicContact CD1-CG2 3.87Å; F164-V170 HydrophobicContact CD2-CG2 4.49Å; F164-V170 HydrophobicContact CE1-CG1 3.86Å; F164-V170 HydrophobicContact CE1-CG2 4.24Å; F164-V170 HydrophobicContact CG-CG2 4.03Å; F164-V170 HydrophobicContact CZ-CG1 4Å; V170-V311 PolarHBondContact N-O 2.91Å; V170-V312 HydrophobicContact CB-CG2 4.28Å; V170-V312 CarbonylContact O-C 3.47Å; V170-V312 WeakPolarHBondContact O-CA 3.34Å; V170-C313 PolarHBondContact O-N 3.49Å
171F80.3Confident78Confident91 Ų9141.1 Ų41.140%0.39926%0.255SS..EExtended strand (participates in β ladder)trans-109.7122.7178.4-65.9-87.5000110.8A169 L277 A297 I300 C313 V315A169-F171 HydrophobicContact CB-CE2 3.93Å; A169-F171 HydrophobicContact CB-CZ 4.32Å; F171-L277 HydrophobicContact CE1-CD2 4.19Å; F171-A297 HydrophobicContact CE1-CB 4.45Å; F171-A297 HydrophobicContact CZ-CB 4.2Å; F171-I300 HydrophobicContact CZ-CG2 4.47Å; F171-C313 CarbonylContact C-O 3.6Å; F171-C313 VanDerWaalsContact CA-O 3.32Å; F171-C313 WeakPolarHBondContact CA-O 3.11Å; F171-C313 HydrophobicContact CD1-CB 3.85Å; F171-C313 HydrophobicContact CE1-CB 3.9Å; F171-V315 HydrophobicContact CB-CG2 4.2Å; F171-V315 HydrophobicContact CD1-CG2 3.73Å; F171-V315 HydrophobicContact CG-CG2 4.42Å
172I79.6Confident78.5Confident26 Ų2639.9 Ų39.913%0.13325%0.253CS..EExtended strand (participates in β ladder)trans-105103.9177.4-61.6175.5000108.5F183 L187 V312 C313 L314 V315I172-F183 HydrophobicContact CD1-CD1 4.12Å; I172-F183 HydrophobicContact CD1-CE1 3.89Å; I172-F183 HydrophobicContact CG2-CD1 4.3Å; I172-L187 HydrophobicContact CD1-CD1 4.11Å; I172-V312 HydrophobicContact CD1-CG1 3.42Å; I172-V312 VanDerWaalsContact CD1-CG1 3.42Å; I172-V312 HydrophobicContact CG1-CG1 3.97Å; I172-C313 PolarHBondContact N-O 2.88Å; I172-L314 HydrophobicContact CB-CD2 3.62Å; I172-L314 HydrophobicContact CD1-CD2 4.4Å; I172-L314 HydrophobicContact CG2-CD2 3.68Å; I172-L314 WeakPolarHBondContact O-CA 3.49Å; I172-V315 PolarHBondContact O-N 3.26Å
173G71.6Confident79.3Confident45 Ų4540 Ų4046%0.46425%0.247SC..EExtended strand (participates in β ladder)trans-90.6143.4179.700000113V315G173-V315 WeakPolarHBondContact CA-O 3.41Å
174G66.2Low79.8Confident7 Ų739.7 Ų39.77%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-175.5158.9173.800000113.5K180 V315 L317G174-K180 WeakPolarHBondContact O-CE 3.46Å; G174-K180 PolarHBondContact O-NZ 3.2Å; G174-V315 PolarHBondContact N-O 3.04Å; G174-V315 VanDerWaalsContact N-O 3.07Å; G174-L317 PolarHBondContact O-N 3.07Å; G174-L317 VanDerWaalsContact O-N 3.15Å
175N70.1Confident80.2Confident53 Ų5339.1 Ų39.128%0.28324%0.242SC..  trans-69.5160.6177.6-70.5-44.7000111.7G177 S178 K180N175-G177 PolarHBondContact O-N 3.07Å; N175-S178 PolarHBondContact N-OG 2.9Å; N175-S178 WeakPolarHBondContact O-CB 3.42Å; N175-S178 PolarHBondContact O-N 3.38Å; N175-S178 VanDerWaalsContact O-N 3.16Å; N175-S178 PolarHBondContact O-OG 3.37Å; N175-K180 PolarHBondContact O-NZ 3.2Å
176A68.3Low80.5Confident60 Ų6034.4 Ų34.450%0.49623%0.225SC..THydrogen-bonded Turntrans-56136.417000000110.1S178A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.15Å
177G70.8Confident80.6Confident54 Ų5431 Ų3156%0.55721%0.21SC*.THydrogen-bonded Turntrans77.7-2.2-177.200000116N175 G179 R384N175-G177 PolarHBondContact O-N 3.07Å; G177-G179 PolarHBondContact O-N 3.4Å; G177-R384 WeakPolarHBondContact O-CG 3.31Å
178S72.2Confident81.1Confident13 Ų1329.1 Ų29.19%0.09120%0.197CC..SBendtrans-78.217.9-178.478.40000114.8N175 A176 K180 L387N175-S178 PolarHBondContact N-OG 2.9Å; N175-S178 WeakPolarHBondContact O-CB 3.42Å; N175-S178 PolarHBondContact O-N 3.38Å; N175-S178 VanDerWaalsContact O-N 3.16Å; N175-S178 PolarHBondContact O-OG 3.37Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.15Å; S178-K180 PolarHBondContact O-N 3.41Å; S178-L387 WeakPolarHBondContact O-CD1 3.49Å
179G75.3Confident81.7Confident29 Ų2927 Ų2730%0.29919%0.187SC..SBendtrans73.612.5179.300000116.9G177 T181 A182 F183G177-G179 PolarHBondContact O-N 3.4Å; G179-T181 PolarHBondContact O-N 2.96Å; G179-A182 PolarHBondContact O-N 2.86Å; G179-A182 VanDerWaalsContact O-N 3.13Å; G179-F183 PolarHBondContact O-N 2.85Å
180K80.3Confident82.2Confident27 Ų2727.6 Ų27.612%0.11719%0.186CC..Hα-helixtrans-48.9-51.4179.4-74.5-169.4-60.5-64.50114.1G174 N175 S178 F183 S184 L314 V315G174-K180 WeakPolarHBondContact O-CE 3.46Å; G174-K180 PolarHBondContact O-NZ 3.2Å; N175-K180 PolarHBondContact O-NZ 3.2Å; S178-K180 PolarHBondContact O-N 3.41Å; K180-F183 PolarHBondContact O-N 3.06Å; K180-S184 PolarHBondContact O-N 3Å; K180-S184 PolarHBondContact O-OG 3.01Å; K180-L314 HydrophobicContact CB-CD2 3.99Å; K180-V315 WeakPolarHBondContact CD-O 3.26Å
181T85.7Confident82.8Confident18 Ų1826.3 Ų26.311%0.1118%0.179CC..Hα-helixtrans-68.5-37.4-179.3-55.80000111.9G179 S184 I185 M205 L210 D275G179-T181 PolarHBondContact O-N 2.96Å; T181-S184 WeakPolarHBondContact CA-OG 3.33Å; T181-S184 PolarHBondContact O-N 3.18Å; T181-S184 PolarHBondContact O-OG 3.05Å; T181-I185 WeakPolarHBondContact O-CG2 3.45Å; T181-I185 PolarHBondContact O-N 3.38Å; T181-M205 HydrophobicContact CG2-SD 3.76Å; T181-L210 HydrophobicContact CG2-CD2 3.47Å; T181-L210 VanDerWaalsContact CG2-CD2 3.47Å; T181-D275 VanDerWaalsContact CB-OD2 3.29Å; T181-D275 WeakPolarHBondContact CB-OD2 3.35Å; T181-D275 WeakPolarHBondContact CG2-OD2 3.2Å; T181-D275 PolarHBondContact OG1-OD2 3.2Å
182A85.1Confident83.5Confident29 Ų2922 Ų2224%0.2416%0.16CC..Hα-helixtrans-64-42.5174.600000110.9G179 I185 N186G179-A182 PolarHBondContact O-N 2.86Å; G179-A182 VanDerWaalsContact O-N 3.13Å; A182-I185 WeakPolarHBondContact O-CG2 3.48Å; A182-N186 WeakPolarHBondContact O-CB 3.36Å; A182-N186 PolarHBondContact O-N 3.29Å; A182-N186 VanDerWaalsContact O-N 3.13Å; A182-N186 PolarHBondContact O-ND2 3.49Å
183F86.3Confident84.1Confident24 Ų2424.5 Ų24.511%0.10518%0.176CC..Hα-helixtrans-64.6-44.7175.7177.7-126.9000112.6Y154 I157 I172 G179 K180 N186 L187 L391 I393Y154-F183 HydrophobicContact CD2-CE2 4.14Å; Y154-F183 HydrophobicContact CE2-CD2 4.31Å; Y154-F183 AromaticContact CE2-CE2 3.68Å; Y154-F183 HydrophobicContact CE2-CE2 3.68Å; I157-F183 HydrophobicContact CD1-CE2 4.11Å; I157-F183 HydrophobicContact CD1-CZ 3.83Å; I172-F183 HydrophobicContact CD1-CD1 4.12Å; I172-F183 HydrophobicContact CD1-CE1 3.89Å; I172-F183 HydrophobicContact CG2-CD1 4.3Å; G179-F183 PolarHBondContact O-N 2.85Å; K180-F183 PolarHBondContact O-N 3.06Å; F183-N186 PolarHBondContact O-N 3.08Å; F183-L187 HydrophobicContact CD1-CD1 4.03Å; F183-L187 HydrophobicContact CD2-CD1 4.38Å; F183-L187 HydrophobicContact CD2-CG 4.25Å; F183-L187 HydrophobicContact CE1-CD1 3.55Å; F183-L187 HydrophobicContact CE1-CG 4.36Å; F183-L187 HydrophobicContact CE2-CD1 3.97Å; F183-L187 HydrophobicContact CE2-CD2 4.23Å; F183-L187 HydrophobicContact CE2-CG 3.87Å; F183-L187 HydrophobicContact CG-CD1 4.44Å; F183-L187 HydrophobicContact CZ-CD1 3.54Å; F183-L187 HydrophobicContact CZ-CD2 4.23Å; F183-L187 HydrophobicContact CZ-CG 3.93Å; F183-L187 WeakPolarHBondContact O-CG 3.35Å; F183-L187 PolarHBondContact O-N 3.1Å; F183-L391 HydrophobicContact CD1-CD1 4.31Å; F183-L391 HydrophobicContact CD2-CD1 3.7Å; F183-L391 HydrophobicContact CE1-CD1 4.38Å; F183-L391 HydrophobicContact CE2-CB 4.3Å; F183-L391 HydrophobicContact CE2-CD1 3.76Å; F183-L391 HydrophobicContact CE2-CD2 3.98Å; F183-L391 HydrophobicContact CE2-CG 4.23Å; F183-L391 HydrophobicContact CG-CD1 3.95Å; F183-L391 HydrophobicContact CZ-CD1 4.11Å; F183-L391 HydrophobicContact CZ-CD2 3.99Å; F183-I393 HydrophobicContact CB-CD1 4.21Å; F183-I393 HydrophobicContact CD2-CD1 3.61Å; F183-I393 HydrophobicContact CE2-CD1 4.44Å; F183-I393 HydrophobicContact CG-CD1 4.32Å
184S91.5Very high85.1Confident0 Ų025.8 Ų25.80%018%0.183CC..Hα-helixtrans-66-40.1-178.865.50000112.7K180 T181 L187 A188 F200 L314K180-S184 PolarHBondContact O-N 3Å; K180-S184 PolarHBondContact O-OG 3.01Å; T181-S184 WeakPolarHBondContact CA-OG 3.33Å; T181-S184 PolarHBondContact O-N 3.18Å; T181-S184 PolarHBondContact O-OG 3.05Å; S184-L187 WeakPolarHBondContact O-CB 3.35Å; S184-L187 PolarHBondContact O-N 2.97Å; S184-A188 PolarHBondContact O-N 3.05Å; S184-F200 WeakPolarHBondContact OG-CZ 3.47Å; S184-L314 WeakPolarHBondContact OG-CD1 3.42Å
185I92.9Very high86.4Confident1 Ų128.2 Ų28.21%0.00521%0.207CC..Hα-helixtrans-70.2-34.3177.8-163.463.9000111.5T181 A182 A188 H189 F200 L210 L214T181-I185 WeakPolarHBondContact O-CG2 3.45Å; T181-I185 PolarHBondContact O-N 3.38Å; A182-I185 WeakPolarHBondContact O-CG2 3.48Å; I185-A188 HydrophobicContact CD1-CB 4.45Å; I185-A188 WeakPolarHBondContact O-CB 3.43Å; I185-A188 PolarHBondContact O-N 3.3Å; I185-H189 PolarHBondContact O-N 2.95Å; I185-F200 HydrophobicContact CB-CE2 4.33Å; I185-F200 HydrophobicContact CD1-CD2 3.93Å; I185-F200 HydrophobicContact CD1-CE2 3.97Å; I185-F200 HydrophobicContact CD1-CG 4.33Å; I185-F200 HydrophobicContact CD1-CZ 4.4Å; I185-L210 HydrophobicContact CD1-CB 4.43Å; I185-L214 HydrophobicContact CG1-CB 4.22Å; I185-L214 HydrophobicContact CG1-CD2 4.33Å
186N91.1Very high87.6Confident6 Ų629.2 Ų29.23%0.03221%0.209CC..Hα-helixtrans-68.7-38.5173.2-77.6-39.9000112.7Y154 A182 F183 H189 N190 H217Y154-N186 WeakPolarHBondContact OH-CB 3.5Å; A182-N186 WeakPolarHBondContact O-CB 3.36Å; A182-N186 PolarHBondContact O-N 3.29Å; A182-N186 VanDerWaalsContact O-N 3.13Å; A182-N186 PolarHBondContact O-ND2 3.49Å; F183-N186 PolarHBondContact O-N 3.08Å; N186-H189 WeakPolarHBondContact O-CB 3.45Å; N186-H189 PolarHBondContact O-N 3.14Å; N186-N190 PolarHBondContact O-N 2.85Å; N186-H217 PolarHBondContact ND2-CD2 2.95Å; N186-H217 PolarHBondContact OD1-CE1 3.07Å; N186-H217 VanDerWaalsContact OD1-CE1 3.26Å; N186-H217 VanDerWaalsContact OD1-CG 3.25Å; N186-H217 PolarHBondContact OD1-ND1 3.28Å
187L92.2Very high89Confident0 Ų030.1 Ų30.10%020%0.202CC..Hα-helixtrans-58.2-48.6168.4-80.4172.4000111T152 Y154 F164 I172 F183 S184 H189 N190 Y191 F273T152-L187 HydrophobicContact CG2-CD2 4.27Å; Y154-L187 HydrophobicContact CD2-CD2 3.68Å; Y154-L187 HydrophobicContact CE2-CD2 3.55Å; Y154-L187 HydrophobicContact CE2-CG 4.02Å; F164-L187 HydrophobicContact CE2-CD1 4.5Å; I172-L187 HydrophobicContact CD1-CD1 4.11Å; F183-L187 HydrophobicContact CD1-CD1 4.03Å; F183-L187 HydrophobicContact CD2-CD1 4.38Å; F183-L187 HydrophobicContact CD2-CG 4.25Å; F183-L187 HydrophobicContact CE1-CD1 3.55Å; F183-L187 HydrophobicContact CE1-CG 4.36Å; F183-L187 HydrophobicContact CE2-CD1 3.97Å; F183-L187 HydrophobicContact CE2-CD2 4.23Å; F183-L187 HydrophobicContact CE2-CG 3.87Å; F183-L187 HydrophobicContact CG-CD1 4.44Å; F183-L187 HydrophobicContact CZ-CD1 3.54Å; F183-L187 HydrophobicContact CZ-CD2 4.23Å; F183-L187 HydrophobicContact CZ-CG 3.93Å; F183-L187 WeakPolarHBondContact O-CG 3.35Å; F183-L187 PolarHBondContact O-N 3.1Å; S184-L187 WeakPolarHBondContact O-CB 3.35Å; S184-L187 PolarHBondContact O-N 2.97Å; L187-H189 VanDerWaalsContact C-N 3.26Å; L187-H189 PolarHBondContact O-N 3.16Å; L187-N190 WeakPolarHBondContact O-CB 3.42Å; L187-N190 PolarHBondContact O-N 2.65Å; L187-N190 VanDerWaalsContact O-N 3.13Å; L187-Y191 HydrophobicContact CB-CE2 4.2Å; L187-Y191 HydrophobicContact CD2-CE2 4.41Å; L187-Y191 WeakPolarHBondContact O-CD2 3.24Å; L187-Y191 PolarHBondContact O-N 3.34Å; L187-F273 HydrophobicContact CB-CE1 3.9Å; L187-F273 HydrophobicContact CB-CZ 3.81Å; L187-F273 HydrophobicContact CD1-CE1 4.28Å
188A95.4Very high90.3Very high0 Ų027.6 Ų27.60%018%0.176CC..Hα-helixtrans-56-42.5177.100000111.8S184 I185 Y191 V192 V198 F200 L247 F273S184-A188 PolarHBondContact O-N 3.05Å; I185-A188 HydrophobicContact CD1-CB 4.45Å; I185-A188 WeakPolarHBondContact O-CB 3.43Å; I185-A188 PolarHBondContact O-N 3.3Å; A188-Y191 PolarHBondContact O-N 3.48Å; A188-V192 WeakPolarHBondContact O-CG2 3.33Å; A188-V192 PolarHBondContact O-N 2.94Å; A188-V198 HydrophobicContact CB-CG1 3.91Å; A188-F200 HydrophobicContact CB-CD2 3.98Å; A188-F200 HydrophobicContact CB-CE2 4.5Å; A188-L247 HydrophobicContact CB-CD1 4.41Å; A188-F273 HydrophobicContact CB-CD2 4.15Å; A188-F273 HydrophobicContact CB-CE2 3.89Å; A188-F273 HydrophobicContact CB-CZ 4.29Å
189H94Very high91.5Very high31 Ų3127 Ų2714%0.14417%0.171CC..Hα-helixtrans-60.5-45.3174.4-179.7-107000113.2I185 N186 L187 Y191 V192 T193 L214 I218I185-H189 PolarHBondContact O-N 2.95Å; N186-H189 WeakPolarHBondContact O-CB 3.45Å; N186-H189 PolarHBondContact O-N 3.14Å; L187-H189 VanDerWaalsContact C-N 3.26Å; L187-H189 PolarHBondContact O-N 3.16Å; H189-Y191 VanDerWaalsContact C-N 3.29Å; H189-Y191 PolarHBondContact O-N 3.29Å; H189-V192 VanDerWaalsContact O-CG2 3.24Å; H189-V192 WeakPolarHBondContact O-CG2 3.41Å; H189-V192 PolarHBondContact O-N 2.94Å; H189-T193 WeakPolarHBondContact O-CB 3.44Å; H189-T193 WeakPolarHBondContact O-CG2 3.4Å; H189-T193 PolarHBondContact O-N 3.09Å; H189-T193 PolarHBondContact O-OG1 3.09Å; H189-L214 HydrophobicContact CB-CD1 3.53Å; H189-L214 HydrophobicContact CB-CD2 4.16Å; H189-L214 HydrophobicContact CB-CG 4.49Å; H189-I218 WeakPolarHBondContact NE2-CD1 3.35Å
190N93.5Very high92.6Very high37 Ų3725.6 Ų25.620%0.19816%0.157CC..Hα-helixtrans-59.8-40.1175.2-70-9.6000111.9T152 Y154 N186 L187 T193 A194T152-N190 WeakPolarHBondContact O-CB 3.34Å; T152-N190 PolarHBondContact O-ND2 2.91Å; Y154-N190 WeakPolarHBondContact CE2-ND2 3.44Å; N186-N190 PolarHBondContact O-N 2.85Å; L187-N190 WeakPolarHBondContact O-CB 3.42Å; L187-N190 PolarHBondContact O-N 2.65Å; L187-N190 VanDerWaalsContact O-N 3.13Å; N190-T193 WeakPolarHBondContact CA-OG1 3.26Å; N190-T193 PolarHBondContact O-OG1 3.1Å; N190-A194 WeakPolarHBondContact O-CB 3.47Å; N190-A194 PolarHBondContact O-N 2.78Å
191Y95.7Very high93.4Very high1 Ų124.3 Ų24.30%0.00415%0.152CC..Hα-helixtrans-67.5-44.8177.7-71.4-60.9000112.5I150 K151 T152 F164 L187 A188 H189 T193 A194 G195 K196 I271 F273I150-Y191 HydrophobicContact CB-CD1 4.5Å; I150-Y191 HydrophobicContact CB-CE1 3.95Å; I150-Y191 HydrophobicContact CG2-CD1 3.46Å; I150-Y191 VanDerWaalsContact CG2-CD1 3.46Å; I150-Y191 HydrophobicContact CG2-CE1 3.33Å; K151-Y191 WeakPolarHBondContact O-CE1 3.19Å; T152-Y191 WeakPolarHBondContact CA-OH 3.39Å; F164-Y191 HydrophobicContact CD2-CE2 4.44Å; F164-Y191 AromaticContact CD2-CZ 4Å; F164-Y191 WeakPolarHBondContact CD2-OH 3.42Å; F164-Y191 HydrophobicContact CE2-CE2 4.43Å; F164-Y191 WeakPolarHBondContact CE2-OH 2.99Å; L187-Y191 HydrophobicContact CB-CE2 4.2Å; L187-Y191 HydrophobicContact CD2-CE2 4.41Å; L187-Y191 WeakPolarHBondContact O-CD2 3.24Å; L187-Y191 PolarHBondContact O-N 3.34Å; A188-Y191 PolarHBondContact O-N 3.48Å; H189-Y191 VanDerWaalsContact C-N 3.29Å; H189-Y191 PolarHBondContact O-N 3.29Å; Y191-T193 PolarHBondContact O-N 2.97Å; Y191-A194 CarbonylContact O-C 3.49Å; Y191-A194 PolarHBondContact O-N 3.5Å; Y191-G195 PolarHBondContact O-N 2.92Å; Y191-K196 VanDerWaalsContact O-CB 3.28Å; Y191-K196 WeakPolarHBondContact O-CB 3.35Å; Y191-K196 PolarHBondContact O-N 2.87Å; Y191-I271 HydrophobicContact CD1-CD1 4.48Å; Y191-I271 HydrophobicContact CD2-CD1 3.88Å; Y191-I271 HydrophobicContact CD2-CG2 4.18Å; Y191-I271 HydrophobicContact CE1-CD1 4.08Å; Y191-I271 HydrophobicContact CE2-CD1 3.47Å; Y191-I271 VanDerWaalsContact CE2-CD1 3.47Å; Y191-I271 HydrophobicContact CG-CD1 4.38Å; Y191-I271 HydrophobicContact CG-CG2 4.03Å; Y191-F273 AromaticContact CD2-CE2 4Å; Y191-F273 HydrophobicContact CD2-CE2 4Å; Y191-F273 AromaticContact CD2-CZ 3.8Å; Y191-F273 HydrophobicContact CD2-CZ 3.8Å; Y191-F273 HydrophobicContact CE2-CE2 4.34Å; Y191-F273 AromaticContact CE2-CZ 3.77Å; Y191-F273 HydrophobicContact CE2-CZ 3.77Å
192V95.4Very high93.9Very high1 Ų123.5 Ų23.51%0.00615%0.147CC..Hα-helixtrans-68.4-35.2179.3-64.40000112.9A188 H189 A194 G195 K196 V198 L245 P246 L247A188-V192 WeakPolarHBondContact O-CG2 3.33Å; A188-V192 PolarHBondContact O-N 2.94Å; H189-V192 VanDerWaalsContact O-CG2 3.24Å; H189-V192 WeakPolarHBondContact O-CG2 3.41Å; H189-V192 PolarHBondContact O-N 2.94Å; V192-A194 VanDerWaalsContact C-N 3.27Å; V192-A194 PolarHBondContact O-N 2.96Å; V192-G195 WeakPolarHBondContact O-CA 3.35Å; V192-G195 PolarHBondContact O-N 2.71Å; V192-K196 WeakPolarHBondContact CA-O 3.34Å; V192-V198 HydrophobicContact CG1-CB 3.59Å; V192-V198 HydrophobicContact CG1-CG2 3.34Å; V192-L245 HydrophobicContact CB-CB 4.15Å; V192-L245 HydrophobicContact CB-CD1 4.49Å; V192-L245 HydrophobicContact CG2-CB 4.15Å; V192-L245 HydrophobicContact CG2-CD1 3.82Å; V192-P246 HydrophobicContact CB-CG 4.45Å; V192-P246 HydrophobicContact CG1-CG 4.46Å; V192-L247 HydrophobicContact CG1-CB 3.9Å; V192-L247 HydrophobicContact CG1-CD1 4.18Å
193T93Very high94.3Very high78 Ų7823.6 Ų23.648%0.47914%0.143SC..Hα-helixtrans-69.2-26.917451.20000112.3H189 N190 Y191 G195 L245H189-T193 WeakPolarHBondContact O-CB 3.44Å; H189-T193 WeakPolarHBondContact O-CG2 3.4Å; H189-T193 PolarHBondContact O-N 3.09Å; H189-T193 PolarHBondContact O-OG1 3.09Å; N190-T193 WeakPolarHBondContact CA-OG1 3.26Å; N190-T193 PolarHBondContact O-OG1 3.1Å; Y191-T193 PolarHBondContact O-N 2.97Å; T193-G195 PolarHBondContact O-N 3.01Å; T193-L245 HydrophobicContact CG2-CD1 3.97Å
194A92.4Very high94.4Very high73 Ų7328.3 Ų28.360%0.60317%0.166SC*.THydrogen-bonded Turntrans-786.8167.700000113.9N190 Y191 V192N190-A194 WeakPolarHBondContact O-CB 3.47Å; N190-A194 PolarHBondContact O-N 2.78Å; Y191-A194 CarbonylContact O-C 3.49Å; Y191-A194 PolarHBondContact O-N 3.5Å; V192-A194 VanDerWaalsContact C-N 3.27Å; V192-A194 PolarHBondContact O-N 2.96Å
195G93.5Very high94.4Very high57 Ų5729.4 Ų29.459%0.58817%0.171SC*.THydrogen-bonded Turntrans81.114.2176.900000114.9Y191 V192 T193Y191-G195 PolarHBondContact O-N 2.92Å; V192-G195 WeakPolarHBondContact O-CA 3.35Å; V192-G195 PolarHBondContact O-N 2.71Å; T193-G195 PolarHBondContact O-N 3.01Å
196K95.6Very high94.5Very high74 Ų7431.2 Ų31.232%0.32219%0.186SC..  trans-87.7139.7177-57.9-59-175.6178.30111.2I150 Y191 V192 V198 P246 D270I150-K196 HydrophobicContact CG2-CD 4.46Å; I150-K196 HydrophobicContact CG2-CG 4.05Å; Y191-K196 VanDerWaalsContact O-CB 3.28Å; Y191-K196 WeakPolarHBondContact O-CB 3.35Å; Y191-K196 PolarHBondContact O-N 2.87Å; V192-K196 WeakPolarHBondContact CA-O 3.34Å; K196-V198 PolarHBondContact O-N 2.77Å; K196-P246 WeakPolarHBondContact O-CG 3.38Å; K196-D270 WeakPolarHBondContact CA-OD2 3.41Å; K196-D270 HydrophobicContact CB-CB 4.09Å; K196-D270 HydrophobicContact CD-CB 4.19Å
197K97.2Very high94.6Very high80 Ų8035 Ų3535%0.34820%0.202SC..  trans-76.6119.4173.2-167.9174.4-167.1179.50109.9P246 V267 P269 D270 I271K197-P246 HydrophobicContact CB-CB 4.35Å; K197-P246 HydrophobicContact CG-CB 4.26Å; K197-V267 HydrophobicContact CD-CG1 4.39Å; K197-V267 WeakPolarHBondContact CD-O 3.41Å; K197-V267 WeakPolarHBondContact CE-O 3.31Å; K197-V267 HydrophobicContact CG-CG1 4.44Å; K197-V267 PolarHBondContact NZ-O 2.78Å; K197-P269 CarbonylContact O-C 3.46Å; K197-D270 PolarHBondContact N-OD2 3.46Å; K197-D270 PolarHBondContact O-N 2.82Å; K197-I271 PolarHBondContact O-N 3.16Å
198V98Very high94.6Very high0 Ų041.3 Ų41.30%024%0.235CC..EExtended strand (participates in β ladder)trans-113.8131.6-175.6-179.10000110.6A188 V192 K196 P246 L247 T248 I271 F273A188-V198 HydrophobicContact CB-CG1 3.91Å; V192-V198 HydrophobicContact CG1-CB 3.59Å; V192-V198 HydrophobicContact CG1-CG2 3.34Å; K196-V198 PolarHBondContact O-N 2.77Å; V198-P246 PolarHBondContact N-O 3.06Å; V198-L247 HydrophobicContact CB-CD1 3.98Å; V198-L247 HydrophobicContact CG1-CD1 3.95Å; V198-T248 PolarHBondContact O-N 2.73Å; V198-I271 HydrophobicContact CB-CG2 4.42Å; V198-I271 HydrophobicContact CG1-CG2 4.4Å; V198-I271 HydrophobicContact CG2-CG2 3.66Å; V198-F273 HydrophobicContact CG1-CD2 3.78Å; V198-F273 HydrophobicContact CG1-CE2 3.89Å
199L98.2Very high94.5Very high0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-108.5117.2167176.253.6000109.6T248 K263 A264 V267 P269 I271 M272 F273L199-T248 CarbonylContact C-O 3.58Å; L199-T248 WeakPolarHBondContact CA-O 3.5Å; L199-T248 HydrophobicContact CD1-CG2 3.88Å; L199-T248 WeakPolarHBondContact CD1-O 3.44Å; L199-K263 HydrophobicContact CD1-CG 4.13Å; L199-K263 HydrophobicContact CD2-CB 4.43Å; L199-K263 HydrophobicContact CD2-CG 4.09Å; L199-A264 HydrophobicContact CD2-CB 4.28Å; L199-V267 HydrophobicContact CB-CG1 4.32Å; L199-V267 HydrophobicContact CD1-CG2 4.4Å; L199-V267 HydrophobicContact CD2-CB 4.22Å; L199-V267 HydrophobicContact CD2-CG2 4.32Å; L199-P269 HydrophobicContact CB-CB 3.73Å; L199-P269 HydrophobicContact CB-CG 3.79Å; L199-P269 HydrophobicContact CD2-CG 4.33Å; L199-I271 PolarHBondContact N-O 2.95Å; L199-I271 VanDerWaalsContact N-O 3.16Å; L199-M272 HydrophobicContact CB-CE 4.39Å; L199-M272 HydrophobicContact CD2-CE 3.25Å; L199-M272 HydrophobicContact CG-CE 3.8Å; L199-M272 CarbonylContact O-C 3.59Å; L199-M272 VanDerWaalsContact O-CA 3.31Å; L199-M272 WeakPolarHBondContact O-CA 3.47Å; L199-F273 PolarHBondContact O-N 3.34Å
200F98Very high94.5Very high0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-108.7106.6177-162.4-72.7000109.8S184 I185 A188 L210 T248 I249 Y250 F273 D275S184-F200 WeakPolarHBondContact OG-CZ 3.47Å; I185-F200 HydrophobicContact CB-CE2 4.33Å; I185-F200 HydrophobicContact CD1-CD2 3.93Å; I185-F200 HydrophobicContact CD1-CE2 3.97Å; I185-F200 HydrophobicContact CD1-CG 4.33Å; I185-F200 HydrophobicContact CD1-CZ 4.4Å; A188-F200 HydrophobicContact CB-CD2 3.98Å; A188-F200 HydrophobicContact CB-CE2 4.5Å; F200-L210 HydrophobicContact CD1-CD1 3.83Å; F200-L210 HydrophobicContact CE1-CD1 3.61Å; F200-L210 HydrophobicContact CE1-CD2 4.47Å; F200-L210 HydrophobicContact CZ-CD1 4.45Å; F200-T248 PolarHBondContact N-O 3.5Å; F200-I249 HydrophobicContact CB-CG1 4.27Å; F200-I249 CarbonylContact O-C 3.45Å; F200-I249 WeakPolarHBondContact O-CA 3.23Å; F200-Y250 PolarHBondContact O-N 2.98Å; F200-F273 HydrophobicContact CD2-CB 3.48Å; F200-F273 VanDerWaalsContact CD2-CB 3.48Å; F200-F273 HydrophobicContact CD2-CD2 4.19Å; F200-F273 AromaticContact CD2-CG 3.83Å; F200-F273 HydrophobicContact CD2-CG 3.83Å; F200-F273 HydrophobicContact CE2-CB 3.77Å; F200-F273 HydrophobicContact CE2-CD1 4.31Å; F200-F273 HydrophobicContact CE2-CG 4.05Å; F200-F273 HydrophobicContact CG-CB 4.01Å; F200-F273 HydrophobicContact CZ-CB 4.49Å; F200-D275 HydrophobicContact CE1-CB 3.91Å; F200-D275 HydrophobicContact CZ-CB 4.13Å
201C97.6Very high94.4Very high0 Ų044.6 Ų44.60%025%0.25CC..EExtended strand (participates in β ladder)trans-89.7105.9175.5-62.90000109.6Y250 M255 I260 F273 D275C201-Y250 CarbonylContact C-O 3.5Å; C201-Y250 WeakPolarHBondContact CA-O 3.36Å; C201-M255 HydrophobicContact CB-SD 4.06Å; C201-I260 HydrophobicContact CB-CD1 4.19Å; C201-I260 HydrophobicContact CB-CG1 4.22Å; C201-F273 WeakPolarHBondContact CB-O 3.39Å; C201-F273 PolarHBondContact N-O 3.5Å; C201-D275 PolarHBondContact O-N 3.13Å
202S95.9Very high94.2Very high2 Ų247 Ų471%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-97.8121.6176.4-170.40000110M205 Y250 D251S202-M205 WeakPolarHBondContact CB-O 2.81Å; S202-M205 PolarHBondContact OG-N 2.89Å; S202-M205 PolarHBondContact OG-O 2.65Å; S202-Y250 PolarHBondContact N-O 3.34Å; S202-D251 WeakPolarHBondContact O-CA 3.19Å
203L93.3Very high93.9Very high30 Ų3051 Ų5116%0.15728%0.278CS..SBendtrans-104.2-19.9179.5-66.792.5000112.7M255 I260 I274 D275 I279 L280L203-M255 HydrophobicContact CG-SD 4.49Å; L203-I260 HydrophobicContact CD1-CD1 4.45Å; L203-I274 HydrophobicContact CD1-CG2 3.86Å; L203-D275 WeakPolarHBondContact CA-O 3.44Å; L203-D275 WeakPolarHBondContact CB-O 3.46Å; L203-D275 VanDerWaalsContact CD1-O 3.3Å; L203-D275 WeakPolarHBondContact CD1-O 3.46Å; L203-D275 PolarHBondContact N-O 2.98Å; L203-I279 HydrophobicContact CB-CB 4.22Å; L203-I279 HydrophobicContact CB-CG2 3.9Å; L203-I279 HydrophobicContact CD2-CG2 4.33Å; L203-L280 HydrophobicContact CD2-CB 3.88Å; L203-L280 HydrophobicContact CD2-CD1 3.66Å; L203-L280 HydrophobicContact CD2-CG 4.39Å
204E88.5Confident93.8Very high124 Ų12447.3 Ų47.358%0.57926%0.255SS*.SBendtrans-103.7-50.6-178.8-164.4174.1-179.900111.9H276 I279E204-H276 IonicContact OE2-CD2 3.38Å; E204-H276 PolarHBondContact OE2-CD2 3.29Å; E204-H276 VanDerWaalsContact OE2-CD2 3.3Å; E204-H276 IonicContact OE2-NE2 3.13Å; E204-H276 PolarHBondContact OE2-NE2 3.32Å; E204-I279 HydrophobicContact CB-CD1 3.68Å; E204-I279 HydrophobicContact CG-CD1 3.8Å
205M91.7Very high93.7Very high23 Ų2344.2 Ų44.211%0.11323%0.228CC..SBendtrans-99.5147.4-173.8-67.3-176.962.500112.3T181 S202 E209 L210 R213T181-M205 HydrophobicContact CG2-SD 3.76Å; S202-M205 WeakPolarHBondContact CB-O 2.81Å; S202-M205 PolarHBondContact OG-N 2.89Å; S202-M205 PolarHBondContact OG-O 2.65Å; M205-E209 WeakPolarHBondContact CA-OE2 3.34Å; M205-E209 WeakPolarHBondContact CB-OE2 3.35Å; M205-E209 HydrophobicContact CE-CB 3.42Å; M205-E209 VanDerWaalsContact CE-CB 3.42Å; M205-L210 HydrophobicContact CB-CD2 4.3Å; M205-L210 HydrophobicContact CB-CG 4.21Å; M205-L210 HydrophobicContact CE-CD2 4.24Å; M205-L210 HydrophobicContact SD-CD2 4.1Å; M205-R213 VanDerWaalsContact CE-CZ 3.48Å; M205-R213 PolarHBondContact SD-NH1 3.01Å
206A93.6Very high93.5Very high38 Ų3843 Ų4331%0.31421%0.207SC..  trans-72.9155172.400000111I208 E209 L210A206-I208 HydrophobicContact CB-CG2 4.22Å; A206-I208 PolarHBondContact O-N 2.82Å; A206-I208 VanDerWaalsContact O-N 3.17Å; A206-E209 HydrophobicContact CB-CG 4.3Å; A206-E209 PolarHBondContact N-OE2 3.23Å; A206-E209 PolarHBondContact O-N 3.45Å; A206-E209 VanDerWaalsContact O-N 3.07Å; A206-L210 PolarHBondContact O-N 3.48Å
207K94Very high93.1Very high85 Ų8541.5 Ų41.537%0.3720%0.201SC..Hα-helixtrans-52.9-40.1177.4174.3175.1178.7-174.70112.2E209 L210 L211 I249 D251K207-E209 VanDerWaalsContact C-N 3.33Å; K207-E209 PolarHBondContact O-N 2.83Å; K207-L210 PolarHBondContact O-N 2.97Å; K207-L211 HydrophobicContact CG-CD1 4.02Å; K207-L211 HydrophobicContact CG-CG 4.34Å; K207-L211 WeakPolarHBondContact O-CG 3.34Å; K207-L211 PolarHBondContact O-N 3.27Å; K207-I249 HydrophobicContact CB-CB 4.33Å; K207-I249 HydrophobicContact CB-CG2 3.81Å; K207-I249 HydrophobicContact CD-CB 3.97Å; K207-I249 HydrophobicContact CD-CG2 4.39Å; K207-I249 HydrophobicContact CG-CB 3.81Å; K207-I249 HydrophobicContact CG-CD1 4Å; K207-I249 HydrophobicContact CG-CG1 4.48Å; K207-I249 HydrophobicContact CG-CG2 3.84Å; K207-D251 HydrophobicContact CB-CB 4.47Å; K207-D251 VanDerWaalsContact CB-OD2 3.28Å; K207-D251 WeakPolarHBondContact CB-OD2 3.04Å; K207-D251 PolarHBondContact N-OD2 3.48Å
208I93.1Very high92.6Very high134 Ų13439.7 Ų39.769%0.68719%0.194SC*.Hα-helixtrans-65.2-35-178.4-164.1163.9000112.7A206 L211 D212A206-I208 HydrophobicContact CB-CG2 4.22Å; A206-I208 PolarHBondContact O-N 2.82Å; A206-I208 VanDerWaalsContact O-N 3.17Å; I208-L211 PolarHBondContact O-N 2.98Å; I208-D212 WeakPolarHBondContact O-CB 3.45Å; I208-D212 PolarHBondContact O-N 2.9Å
209E92.9Very high92.1Very high94 Ų9439.9 Ų39.944%0.43920%0.196SC..Hα-helixtrans-73.6-35.7179.3-58.2173.415200111.4M205 A206 K207 R213M205-E209 WeakPolarHBondContact CA-OE2 3.34Å; M205-E209 WeakPolarHBondContact CB-OE2 3.35Å; M205-E209 HydrophobicContact CE-CB 3.42Å; M205-E209 VanDerWaalsContact CE-CB 3.42Å; A206-E209 HydrophobicContact CB-CG 4.3Å; A206-E209 PolarHBondContact N-OE2 3.23Å; A206-E209 PolarHBondContact O-N 3.45Å; A206-E209 VanDerWaalsContact O-N 3.07Å; K207-E209 VanDerWaalsContact C-N 3.33Å; K207-E209 PolarHBondContact O-N 2.83Å; E209-R213 PolarHBondContact O-N 3.34Å
210L92.9Very high91.6Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-67.7-41.5173.1-70.1177.1000111.9T181 I185 F200 M205 A206 K207 D212 R213 L214 I249T181-L210 HydrophobicContact CG2-CD2 3.47Å; T181-L210 VanDerWaalsContact CG2-CD2 3.47Å; I185-L210 HydrophobicContact CD1-CB 4.43Å; F200-L210 HydrophobicContact CD1-CD1 3.83Å; F200-L210 HydrophobicContact CE1-CD1 3.61Å; F200-L210 HydrophobicContact CE1-CD2 4.47Å; F200-L210 HydrophobicContact CZ-CD1 4.45Å; M205-L210 HydrophobicContact CB-CD2 4.3Å; M205-L210 HydrophobicContact CB-CG 4.21Å; M205-L210 HydrophobicContact CE-CD2 4.24Å; M205-L210 HydrophobicContact SD-CD2 4.1Å; A206-L210 PolarHBondContact O-N 3.48Å; K207-L210 PolarHBondContact O-N 2.97Å; L210-D212 VanDerWaalsContact C-N 3.35Å; L210-R213 PolarHBondContact O-N 3.15Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.31Å; L210-I249 HydrophobicContact CB-CD1 4.36Å; L210-I249 HydrophobicContact CD1-CG2 4.03Å
211L92.4Very high91.1Very high43 Ų4343.3 Ų43.323%0.22523%0.227CC..Hα-helixtrans-64.3-40.9175.2-72.8176.2000111.4K207 I208 R213 L214 I215 L242 I249K207-L211 HydrophobicContact CG-CD1 4.02Å; K207-L211 HydrophobicContact CG-CG 4.34Å; K207-L211 WeakPolarHBondContact O-CG 3.34Å; K207-L211 PolarHBondContact O-N 3.27Å; I208-L211 PolarHBondContact O-N 2.98Å; L211-R213 PolarHBondContact O-N 3.17Å; L211-L214 PolarHBondContact O-N 2.91Å; L211-I215 WeakPolarHBondContact O-CB 3.32Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 2.97Å; L211-I215 PolarHBondContact O-N 2.83Å; L211-L242 HydrophobicContact CD2-CD2 3.56Å; L211-L242 HydrophobicContact CD2-CG 4.43Å; L211-I249 HydrophobicContact CD2-CD1 3.97Å; L211-I249 HydrophobicContact CG-CD1 4.11Å
212D91.4Very high90.5Very high50 Ų5045.6 Ų45.627%0.26725%0.246SC..Hα-helixtrans-55.2-52.7175.5-177.944.4000111.3I208 L210 L214 I215 K216 Y224I208-D212 WeakPolarHBondContact O-CB 3.45Å; I208-D212 PolarHBondContact O-N 2.9Å; L210-D212 VanDerWaalsContact C-N 3.35Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 2.76Å; D212-I215 PolarHBondContact O-N 3.45Å; D212-K216 WeakPolarHBondContact O-CB 3.39Å; D212-K216 VanDerWaalsContact O-CG 3.26Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 3.29Å; D212-K216 VanDerWaalsContact OD1-CE 3.27Å; D212-K216 WeakPolarHBondContact OD1-CE 3.36Å; D212-K216 IonicContact OD1-NZ 2.7Å; D212-K216 VanDerWaalsContact OD2-CE 3.3Å; D212-K216 WeakPolarHBondContact OD2-CE 3.47Å; D212-K216 IonicContact OD2-NZ 3.53Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; D212-Y224 WeakPolarHBondContact OD1-CE2 3.47Å; D212-Y224 VanDerWaalsContact OD1-CZ 3.26Å; D212-Y224 PolarHBondContact OD1-OH 3.28Å
213R89.8Confident90.1Very high86 Ų8648.4 Ų48.433%0.32526%0.261SS..Hα-helixtrans-58.3-41.6175.9-70.8-178.5176.4179.95.1112.9M205 E209 L210 L211 H217M205-R213 VanDerWaalsContact CE-CZ 3.48Å; M205-R213 PolarHBondContact SD-NH1 3.01Å; E209-R213 PolarHBondContact O-N 3.34Å; L210-R213 PolarHBondContact O-N 3.15Å; L211-R213 PolarHBondContact O-N 3.17Å; R213-H217 WeakPolarHBondContact O-CB 2.98Å; R213-H217 PolarHBondContact O-N 2.87Å
214L89.5Confident90Very high0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-68-40.8-179.4-178.256.5000111.7I185 H189 L210 L211 D212 H217 I218 L242 L247I185-L214 HydrophobicContact CG1-CB 4.22Å; I185-L214 HydrophobicContact CG1-CD2 4.33Å; H189-L214 HydrophobicContact CB-CD1 3.53Å; H189-L214 HydrophobicContact CB-CD2 4.16Å; H189-L214 HydrophobicContact CB-CG 4.49Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.31Å; L211-L214 PolarHBondContact O-N 2.91Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 2.76Å; L214-H217 PolarHBondContact O-N 3.16Å; L214-I218 HydrophobicContact CD1-CD1 3.93Å; L214-I218 HydrophobicContact CD1-CG1 4.2Å; L214-I218 HydrophobicContact CG-CD1 3.79Å; L214-I218 HydrophobicContact CG-CG1 4.49Å; L214-I218 WeakPolarHBondContact O-CD1 3.4Å; L214-I218 WeakPolarHBondContact O-CG1 3.42Å; L214-I218 PolarHBondContact O-N 3.35Å; L214-L242 HydrophobicContact CD2-CD1 3.81Å; L214-L242 HydrophobicContact CD2-CD2 3.74Å; L214-L242 HydrophobicContact CD2-CG 4.45Å; L214-L242 HydrophobicContact CG-CD2 4.31Å; L214-L247 HydrophobicContact CD2-CD2 4.3Å
215I91Very high90Very high8 Ų850.4 Ų50.44%0.04128%0.276CS..Hα-helixtrans-69.2-42179.1-68.8-63.1000111.3L211 D212 H217 I218 T219 V235 E238 L242L211-I215 WeakPolarHBondContact O-CB 3.32Å; L211-I215 VanDerWaalsContact O-CG1 3.29Å; L211-I215 WeakPolarHBondContact O-CG1 2.97Å; L211-I215 PolarHBondContact O-N 2.83Å; D212-I215 PolarHBondContact O-N 3.45Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 3.24Å; I215-I218 PolarHBondContact O-N 3.18Å; I215-T219 HydrophobicContact CG2-CG2 4.08Å; I215-T219 VanDerWaalsContact O-CB 3.29Å; I215-T219 WeakPolarHBondContact O-CB 3.48Å; I215-T219 VanDerWaalsContact O-CG2 3.26Å; I215-T219 WeakPolarHBondContact O-CG2 3.48Å; I215-T219 PolarHBondContact O-N 2.75Å; I215-T219 PolarHBondContact O-OG1 3.2Å; I215-V235 HydrophobicContact CG2-CG1 3.94Å; I215-V235 HydrophobicContact CG2-CG2 4.42Å; I215-E238 HydrophobicContact CD1-CB 4.46Å; I215-L242 HydrophobicContact CD1-CD2 3.99Å; I215-L242 HydrophobicContact CG1-CD2 4.48Å
216K89.7Confident89.9Confident32 Ų3257.6 Ų57.614%0.13931%0.306CS..Hα-helixtrans-57.3-44.2172.9-71.1178.3170163.80110.8D212 T219 G220 I221 A222 Y224 E396D212-K216 WeakPolarHBondContact O-CB 3.39Å; D212-K216 VanDerWaalsContact O-CG 3.26Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 3.29Å; D212-K216 VanDerWaalsContact OD1-CE 3.27Å; D212-K216 WeakPolarHBondContact OD1-CE 3.36Å; D212-K216 IonicContact OD1-NZ 2.7Å; D212-K216 VanDerWaalsContact OD2-CE 3.3Å; D212-K216 WeakPolarHBondContact OD2-CE 3.47Å; D212-K216 IonicContact OD2-NZ 3.53Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; K216-T219 PolarHBondContact O-N 2.69Å; K216-G220 WeakPolarHBondContact O-CA 3.48Å; K216-G220 PolarHBondContact O-N 2.8Å; K216-I221 VanDerWaalsContact CG-O 3.31Å; K216-I221 WeakPolarHBondContact CG-O 3.41Å; K216-A222 VanDerWaalsContact CE-O 3.25Å; K216-A222 WeakPolarHBondContact CE-O 3.48Å; K216-Y224 HydrophobicContact CG-CE1 4.39Å; K216-Y224 WeakPolarHBondContact CG-OH 3.43Å; K216-E396 HydrophobicContact CB-CG 4.1Å; K216-E396 WeakPolarHBondContact CB-OE1 3.46Å
217H85.6Confident89.6Confident43 Ų4356.9 Ų56.920%0.19930%0.301CS..Hα-helixtrans-64.8-44.7177.2176-91.4000112.6N186 R213 L214 I215 T219 E396N186-H217 PolarHBondContact ND2-CD2 2.95Å; N186-H217 PolarHBondContact OD1-CE1 3.07Å; N186-H217 VanDerWaalsContact OD1-CE1 3.26Å; N186-H217 VanDerWaalsContact OD1-CG 3.25Å; N186-H217 PolarHBondContact OD1-ND1 3.28Å; R213-H217 WeakPolarHBondContact O-CB 2.98Å; R213-H217 PolarHBondContact O-N 2.87Å; L214-H217 PolarHBondContact O-N 3.16Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 3.24Å; H217-T219 VanDerWaalsContact C-N 3.34Å; H217-T219 PolarHBondContact O-N 2.85Å; H217-E396 WeakPolarHBondContact CA-OE1 3.38Å; H217-E396 PolarHBondContact N-OE1 3.31Å
218I86.9Confident89.5Confident41 Ų4155.4 Ų55.421%0.2130%0.301CS..Hα-helixtrans-66.6-38.1179-66.9163.5000111.4H189 L214 I215 E238H189-I218 WeakPolarHBondContact NE2-CD1 3.35Å; L214-I218 HydrophobicContact CD1-CD1 3.93Å; L214-I218 HydrophobicContact CD1-CG1 4.2Å; L214-I218 HydrophobicContact CG-CD1 3.79Å; L214-I218 HydrophobicContact CG-CG1 4.49Å; L214-I218 WeakPolarHBondContact O-CD1 3.4Å; L214-I218 WeakPolarHBondContact O-CG1 3.42Å; L214-I218 PolarHBondContact O-N 3.35Å; I215-I218 PolarHBondContact O-N 3.18Å; I218-E238 HydrophobicContact CG2-CB 3.99Å; I218-E238 HydrophobicContact CG2-CG 3.8Å
219T88.4Confident89.4Confident5 Ų553 Ų533%0.03130%0.301CS..Hα-helixtrans-92.8-22.2-17262.80000113.9I215 K216 H217 I221 K234 V235 E238I215-T219 HydrophobicContact CG2-CG2 4.08Å; I215-T219 VanDerWaalsContact O-CB 3.29Å; I215-T219 WeakPolarHBondContact O-CB 3.48Å; I215-T219 VanDerWaalsContact O-CG2 3.26Å; I215-T219 WeakPolarHBondContact O-CG2 3.48Å; I215-T219 PolarHBondContact O-N 2.75Å; I215-T219 PolarHBondContact O-OG1 3.2Å; K216-T219 PolarHBondContact O-N 2.69Å; H217-T219 VanDerWaalsContact C-N 3.34Å; H217-T219 PolarHBondContact O-N 2.85Å; T219-I221 PolarHBondContact OG1-N 3.18Å; T219-K234 HydrophobicContact CG2-CG 4.32Å; T219-K234 PolarHBondContact O-NZ 3.35Å; T219-V235 HydrophobicContact CG2-CG2 4.19Å; T219-E238 HydrophobicContact CG2-CB 4.12Å; T219-E238 HydrophobicContact CG2-CG 3.97Å
220G87.8Confident89.4Confident57 Ų5755 Ų5559%0.58832%0.315SS*.THydrogen-bonded Turntrans73.310.6-170.800000113.9K216K216-G220 WeakPolarHBondContact O-CA 3.48Å; K216-G220 PolarHBondContact O-N 2.8Å
221I87.9Confident89.4Confident15 Ų1557.7 Ų57.78%0.07733%0.329CS..  trans-97.1103.5-175.7-61.1160.7000108.7K216 T219 Y224 A227 D231 V235K216-I221 VanDerWaalsContact CG-O 3.31Å; K216-I221 WeakPolarHBondContact CG-O 3.41Å; T219-I221 PolarHBondContact OG1-N 3.18Å; I221-Y224 HydrophobicContact CG2-CD1 3.9Å; I221-Y224 HydrophobicContact CG2-CE1 4.32Å; I221-A227 HydrophobicContact CG2-CB 4.05Å; I221-D231 HydrophobicContact CD1-CB 3.59Å; I221-D231 WeakPolarHBondContact CD1-O 3.16Å; I221-D231 HydrophobicContact CG1-CB 4.24Å; I221-V235 HydrophobicContact CD1-CG2 3.55Å
222A85.1Confident89.4Confident48 Ų4859.1 Ų59.140%0.39734%0.336SS..SBendtrans-75.9-35.6-178.900000113.7K216K216-A222 VanDerWaalsContact CE-O 3.25Å; K216-A222 WeakPolarHBondContact CE-O 3.48Å
223D87.9Confident89.5Confident61 Ų6162 Ų6233%0.32635%0.348SS..  trans-130.4103.8-174.5-177.8-2.6000111.1T225 K226 A227D223-T225 VanDerWaalsContact CG-OG1 3.25Å; D223-T225 PolarHBondContact O-N 3.38Å; D223-T225 WeakPolarHBondContact OD1-CB 3.36Å; D223-T225 PolarHBondContact OD1-N 3.38Å; D223-T225 PolarHBondContact OD1-OG1 2.85Å; D223-T225 PolarHBondContact OD2-OG1 3.44Å; D223-K226 PolarHBondContact O-N 3.43Å; D223-K226 VanDerWaalsContact O-N 3.16Å; D223-K226 VanDerWaalsContact OD2-CD 3.32Å; D223-K226 WeakPolarHBondContact OD2-CD 3.47Å; D223-K226 WeakPolarHBondContact OD2-CE 3.4Å; D223-K226 IonicContact OD2-NZ 3.79Å; D223-A227 PolarHBondContact O-N 3.09Å
224Y89.6Confident89.6Confident71 Ų7162.4 Ų62.428%0.27835%0.352SS..G310 helixtrans-62.8-21.3179.1-53.1-52.6000113.5D212 K216 I221 K226 A227 V235D212-Y224 WeakPolarHBondContact OD1-CE2 3.47Å; D212-Y224 VanDerWaalsContact OD1-CZ 3.26Å; D212-Y224 PolarHBondContact OD1-OH 3.28Å; K216-Y224 HydrophobicContact CG-CE1 4.39Å; K216-Y224 WeakPolarHBondContact CG-OH 3.43Å; I221-Y224 HydrophobicContact CG2-CD1 3.9Å; I221-Y224 HydrophobicContact CG2-CE1 4.32Å; Y224-K226 PolarHBondContact O-N 3.31Å; Y224-A227 WeakPolarHBondContact O-CB 3.28Å; Y224-A227 PolarHBondContact O-N 3.38Å; Y224-V235 HydrophobicContact CD1-CG2 4.17Å; Y224-V235 HydrophobicContact CE1-CG1 4.4Å; Y224-V235 HydrophobicContact CE1-CG2 3.91Å
225T89Confident89.8Confident124 Ų12463.2 Ų63.276%0.76136%0.356SS*.G310 helixtrans-72.6-19.8179.5710000112.6D223D223-T225 VanDerWaalsContact CG-OG1 3.25Å; D223-T225 PolarHBondContact O-N 3.38Å; D223-T225 WeakPolarHBondContact OD1-CB 3.36Å; D223-T225 PolarHBondContact OD1-N 3.38Å; D223-T225 PolarHBondContact OD1-OG1 2.85Å; D223-T225 PolarHBondContact OD2-OG1 3.44Å
226K89.3Confident89.9Confident174 Ų17466.3 Ų66.376%0.75737%0.373SS*.G310 helixtrans-106.3-0.8178-62.6176-172.51640112.8D223 Y224D223-K226 PolarHBondContact O-N 3.43Å; D223-K226 VanDerWaalsContact O-N 3.16Å; D223-K226 VanDerWaalsContact OD2-CD 3.32Å; D223-K226 WeakPolarHBondContact OD2-CD 3.47Å; D223-K226 WeakPolarHBondContact OD2-CE 3.4Å; D223-K226 IonicContact OD2-NZ 3.79Å; Y224-K226 PolarHBondContact O-N 3.31Å
227A87.4Confident90.1Very high24 Ų2467.4 Ų67.420%0.19838%0.382CS..  trans-67.3138.3-179.700000111.2I221 D223 Y224 D231 M232I221-A227 HydrophobicContact CG2-CB 4.05Å; D223-A227 PolarHBondContact O-N 3.09Å; Y224-A227 WeakPolarHBondContact O-CB 3.28Å; Y224-A227 PolarHBondContact O-N 3.38Å; A227-D231 HydrophobicContact CB-CB 3.75Å; A227-M232 HydrophobicContact CB-CG 4.09Å; A227-M232 HydrophobicContact CB-SD 3.88Å
228S91.9Very high90.4Very high54 Ų5467.3 Ų67.338%0.37838%0.381SS..  trans-68.3169.1170.368.90000111.5D230 D231 M232S228-D230 PolarHBondContact O-N 3.28Å; S228-D231 WeakPolarHBondContact CB-OD2 3.26Å; S228-D231 PolarHBondContact N-OD2 2.9Å; S228-D231 WeakPolarHBondContact O-CB 3.44Å; S228-D231 PolarHBondContact O-N 3.34Å; S228-D231 PolarHBondContact OG-N 2.97Å; S228-D231 VanDerWaalsContact OG-N 3.12Å; S228-D231 PolarHBondContact OG-OD2 2.82Å; S228-M232 WeakPolarHBondContact O-CG 3.37Å; S228-M232 PolarHBondContact O-N 3.04Å
229A91.5Very high90.6Very high84 Ų8467.8 Ų67.869%0.69439%0.386SS*.Hα-helixtrans-59.6-35.5173.100000112M232 Q233A229-M232 PolarHBondContact O-N 2.97Å; A229-Q233 PolarHBondContact O-N 3.37Å
230D92.2Very high90.8Very high134 Ų13473.9 Ų73.972%0.71741%0.413SS*.Hα-helixtrans-69.4-39.6177.4-68.3-18.3000111.4S228 Q233 K234S228-D230 PolarHBondContact O-N 3.28Å; D230-Q233 WeakPolarHBondContact O-CB 3.46Å; D230-Q233 PolarHBondContact O-N 3.41Å; D230-K234 PolarHBondContact O-N 3.25Å
231D92.3Very high91Very high58 Ų5876 Ų7631%0.3141%0.406SS..Hα-helixtrans-61.4-44.9173.7-68.4-39.2000111.2I221 A227 S228 Q233 K234 V235I221-D231 HydrophobicContact CD1-CB 3.59Å; I221-D231 WeakPolarHBondContact CD1-O 3.16Å; I221-D231 HydrophobicContact CG1-CB 4.24Å; A227-D231 HydrophobicContact CB-CB 3.75Å; S228-D231 WeakPolarHBondContact CB-OD2 3.26Å; S228-D231 PolarHBondContact N-OD2 2.9Å; S228-D231 WeakPolarHBondContact O-CB 3.44Å; S228-D231 PolarHBondContact O-N 3.34Å; S228-D231 PolarHBondContact OG-N 2.97Å; S228-D231 VanDerWaalsContact OG-N 3.12Å; S228-D231 PolarHBondContact OG-OD2 2.82Å; D231-Q233 VanDerWaalsContact C-N 3.3Å; D231-Q233 PolarHBondContact O-N 2.76Å; D231-K234 WeakPolarHBondContact O-CA 2.97Å; D231-K234 VanDerWaalsContact O-CB 3.29Å; D231-K234 WeakPolarHBondContact O-CB 3.38Å; D231-K234 PolarHBondContact O-N 3.47Å; D231-K234 VanDerWaalsContact O-N 3.13Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 2.59Å
232M93.1Very high91.2Very high73 Ų7375.9 Ų75.936%0.3641%0.405SS..Hα-helixtrans-64-36.5176-70.4-55.7-59.300112.1A227 S228 A229 K234 V235 I236A227-M232 HydrophobicContact CB-CG 4.09Å; A227-M232 HydrophobicContact CB-SD 3.88Å; S228-M232 WeakPolarHBondContact O-CG 3.37Å; S228-M232 PolarHBondContact O-N 3.04Å; A229-M232 PolarHBondContact O-N 2.97Å; M232-K234 VanDerWaalsContact C-N 3.33Å; M232-V235 PolarHBondContact O-N 3.26Å; M232-I236 VanDerWaalsContact O-CG1 3.29Å; M232-I236 WeakPolarHBondContact O-CG1 3.45Å; M232-I236 PolarHBondContact O-N 2.95Å
233Q93Very high91.4Very high111 Ų11179.3 Ų79.352%0.51942%0.417SS..Hα-helixtrans-65.7-36.6173.6-170.860.832.100111.9A229 D230 D231 T237A229-Q233 PolarHBondContact O-N 3.37Å; D230-Q233 WeakPolarHBondContact O-CB 3.46Å; D230-Q233 PolarHBondContact O-N 3.41Å; D231-Q233 VanDerWaalsContact C-N 3.3Å; D231-Q233 PolarHBondContact O-N 2.76Å; Q233-T237 WeakPolarHBondContact O-CB 3.4Å; Q233-T237 PolarHBondContact O-N 3.24Å; Q233-T237 PolarHBondContact O-OG1 3.33Å
234K92.6Very high91.6Very high94 Ų9484.3 Ų84.341%0.40944%0.438SS..Hα-helixtrans-61.8-48.6171.4-170.6-174.7-179.3-173.10111T219 D230 D231 M232 I236 T237 E238T219-K234 HydrophobicContact CG2-CG 4.32Å; T219-K234 PolarHBondContact O-NZ 3.35Å; D230-K234 PolarHBondContact O-N 3.25Å; D231-K234 WeakPolarHBondContact O-CA 2.97Å; D231-K234 VanDerWaalsContact O-CB 3.29Å; D231-K234 WeakPolarHBondContact O-CB 3.38Å; D231-K234 PolarHBondContact O-N 3.47Å; D231-K234 VanDerWaalsContact O-N 3.13Å; M232-K234 VanDerWaalsContact C-N 3.33Å; K234-I236 PolarHBondContact O-N 3.47Å; K234-T237 PolarHBondContact O-N 3.28Å; K234-T237 VanDerWaalsContact O-N 3.11Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 WeakPolarHBondContact O-CG 3.12Å; K234-E238 PolarHBondContact O-N 3.12Å
235V93.3Very high91.7Very high16 Ų1683.3 Ų83.310%0.09744%0.437CS..Hα-helixtrans-54.6-49.6175.4169.90000111.5I215 T219 I221 Y224 D231 M232 T237 E238 T239I215-V235 HydrophobicContact CG2-CG1 3.94Å; I215-V235 HydrophobicContact CG2-CG2 4.42Å; T219-V235 HydrophobicContact CG2-CG2 4.19Å; I221-V235 HydrophobicContact CD1-CG2 3.55Å; Y224-V235 HydrophobicContact CD1-CG2 4.17Å; Y224-V235 HydrophobicContact CE1-CG1 4.4Å; Y224-V235 HydrophobicContact CE1-CG2 3.91Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 2.59Å; M232-V235 PolarHBondContact O-N 3.26Å; V235-T237 VanDerWaalsContact C-N 3.29Å; V235-T237 PolarHBondContact O-N 3.27Å; V235-E238 PolarHBondContact O-N 3.37Å; V235-T239 VanDerWaalsContact O-CB 3.3Å; V235-T239 WeakPolarHBondContact O-CB 3.22Å; V235-T239 PolarHBondContact O-N 3.25Å; V235-T239 PolarHBondContact O-OG1 3.34Å
236I93.1Very high92Very high74 Ų7479.9 Ų79.938%0.37942%0.417SS..Hα-helixtrans-59.8-41.2177.7-68164.9000111.4M232 K234 K240M232-I236 VanDerWaalsContact O-CG1 3.29Å; M232-I236 WeakPolarHBondContact O-CG1 3.45Å; M232-I236 PolarHBondContact O-N 2.95Å; K234-I236 PolarHBondContact O-N 3.47Å; I236-K240 HydrophobicContact CG2-CD 4.45Å; I236-K240 WeakPolarHBondContact O-CG 3.1Å; I236-K240 PolarHBondContact O-N 2.9Å; I236-K240 VanDerWaalsContact O-N 3.13Å
237T93.9Very high92.4Very high55 Ų5572.7 Ų72.734%0.33739%0.387SS..Hα-helixtrans-68.6-46.8-178-590000111.6Q233 K234 V235 T239 K240 K241Q233-T237 WeakPolarHBondContact O-CB 3.4Å; Q233-T237 PolarHBondContact O-N 3.24Å; Q233-T237 PolarHBondContact O-OG1 3.33Å; K234-T237 PolarHBondContact O-N 3.28Å; K234-T237 VanDerWaalsContact O-N 3.11Å; V235-T237 VanDerWaalsContact C-N 3.29Å; V235-T237 PolarHBondContact O-N 3.27Å; T237-T239 VanDerWaalsContact C-N 3.34Å; T237-K240 PolarHBondContact O-N 2.85Å; T237-K241 WeakPolarHBondContact O-CG 3.07Å; T237-K241 PolarHBondContact O-N 2.9Å; T237-K241 VanDerWaalsContact O-N 3.14Å
238E91.9Very high92.8Very high40 Ų4073.6 Ų73.619%0.18739%0.39CS..Hα-helixtrans-68.6-33.7178.5-62.2-52.2133.200112I215 I218 T219 K234 V235 K241 L242I215-E238 HydrophobicContact CD1-CB 4.46Å; I218-E238 HydrophobicContact CG2-CB 3.99Å; I218-E238 HydrophobicContact CG2-CG 3.8Å; T219-E238 HydrophobicContact CG2-CB 4.12Å; T219-E238 HydrophobicContact CG2-CG 3.97Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 WeakPolarHBondContact O-CG 3.12Å; K234-E238 PolarHBondContact O-N 3.12Å; V235-E238 PolarHBondContact O-N 3.37Å; E238-K241 PolarHBondContact O-N 3.01Å; E238-K241 IonicContact OE1-NZ 3.64Å; E238-K241 PolarHBondContact OE1-NZ 3.08Å; E238-K241 WeakPolarHBondContact OE2-CD 3.41Å; E238-K241 IonicContact OE2-NZ 3.75Å; E238-K241 PolarHBondContact OE2-NZ 2.98Å; E238-L242 WeakPolarHBondContact O-CB 3.44Å; E238-L242 PolarHBondContact O-N 2.94Å
239T92.1Very high93Very high51 Ų5171.7 Ų71.731%0.31338%0.375SS..Hα-helixtrans-63.5-44.6174.6-56.10000111.5V235 T237 K241 L242 D243V235-T239 VanDerWaalsContact O-CB 3.3Å; V235-T239 WeakPolarHBondContact O-CB 3.22Å; V235-T239 PolarHBondContact O-N 3.25Å; V235-T239 PolarHBondContact O-OG1 3.34Å; T237-T239 VanDerWaalsContact C-N 3.34Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 3.38Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 2.98Å; T239-D243 PolarHBondContact O-N 3.43Å
240K92.8Very high93.3Very high134 Ų13469.4 Ų69.458%0.58335%0.349SS*.Hα-helixtrans-62.2-40.1175.8-75.4178.4179-177.60112.7I236 T237 L242 D243 E244I236-K240 HydrophobicContact CG2-CD 4.45Å; I236-K240 WeakPolarHBondContact O-CG 3.1Å; I236-K240 PolarHBondContact O-N 2.9Å; I236-K240 VanDerWaalsContact O-N 3.13Å; T237-K240 PolarHBondContact O-N 2.85Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-D243 PolarHBondContact O-N 2.83Å; K240-E244 PolarHBondContact O-N 2.83Å
241K91.9Very high93.4Very high102 Ų10266.3 Ų66.344%0.44333%0.332SS..Hα-helixtrans-61.7-43.4174.3-70.2174-176.9169.80111T237 E238 T239 D243 E244 L245T237-K241 WeakPolarHBondContact O-CG 3.07Å; T237-K241 PolarHBondContact O-N 2.9Å; T237-K241 VanDerWaalsContact O-N 3.14Å; E238-K241 PolarHBondContact O-N 3.01Å; E238-K241 IonicContact OE1-NZ 3.64Å; E238-K241 PolarHBondContact OE1-NZ 3.08Å; E238-K241 WeakPolarHBondContact OE2-CD 3.41Å; E238-K241 IonicContact OE2-NZ 3.75Å; E238-K241 PolarHBondContact OE2-NZ 2.98Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 3.38Å; K241-D243 VanDerWaalsContact C-N 3.31Å; K241-D243 PolarHBondContact O-N 3.28Å; K241-E244 PolarHBondContact O-N 3.06Å; K241-E244 VanDerWaalsContact O-N 3.17Å; K241-L245 WeakPolarHBondContact O-CG 3.46Å; K241-L245 PolarHBondContact O-N 2.96Å
242L90.8Very high93.5Very high11 Ų1167.8 Ų67.86%0.05834%0.336CS..Hα-helixtrans-63.9-35.5179.3-174.160.9000112.4L211 L214 I215 E238 T239 K240 E244 L245 L247L211-L242 HydrophobicContact CD2-CD2 3.56Å; L211-L242 HydrophobicContact CD2-CG 4.43Å; L214-L242 HydrophobicContact CD2-CD1 3.81Å; L214-L242 HydrophobicContact CD2-CD2 3.74Å; L214-L242 HydrophobicContact CD2-CG 4.45Å; L214-L242 HydrophobicContact CG-CD2 4.31Å; I215-L242 HydrophobicContact CD1-CD2 3.99Å; I215-L242 HydrophobicContact CG1-CD2 4.48Å; E238-L242 WeakPolarHBondContact O-CB 3.44Å; E238-L242 PolarHBondContact O-N 2.94Å; T239-L242 WeakPolarHBondContact O-CB 3.29Å; T239-L242 PolarHBondContact O-N 2.98Å; K240-L242 VanDerWaalsContact C-N 3.32Å; L242-E244 VanDerWaalsContact C-N 3.26Å; L242-E244 PolarHBondContact O-N 3.18Å; L242-L245 HydrophobicContact CD1-CD1 4.08Å; L242-L245 WeakPolarHBondContact O-CB 3.27Å; L242-L245 PolarHBondContact O-N 3.46Å; L242-L245 VanDerWaalsContact O-N 3.17Å; L242-L247 HydrophobicContact CD1-CD2 4.07Å
243D89.6Confident93.4Very high121 Ų12168.8 Ų68.865%0.64736%0.356SS*.Hα-helixtrans-64.9-27.4174.9-77.7-22.6000113.3T239 K240 K241 L245T239-D243 PolarHBondContact O-N 3.43Å; K240-D243 PolarHBondContact O-N 2.83Å; K241-D243 VanDerWaalsContact C-N 3.31Å; K241-D243 PolarHBondContact O-N 3.28Å; D243-L245 VanDerWaalsContact C-N 3.34Å
244E91.5Very high93.2Very high165 Ų16567 Ų6777%0.77137%0.368SS*.Hα-helixtrans-80.3-16.5175.8-66.5176.1-179.200112.7K240 K241 L242K240-E244 PolarHBondContact O-N 2.83Å; K241-E244 PolarHBondContact O-N 3.06Å; K241-E244 VanDerWaalsContact O-N 3.17Å; L242-E244 VanDerWaalsContact C-N 3.26Å; L242-E244 PolarHBondContact O-N 3.18Å
245L93.3Very high93.3Very high51 Ų5163 Ų6327%0.26735%0.35SS..SBendtrans-79.4149.7-178.5-67.2177.3000111.7V192 T193 K241 L242 D243 L247V192-L245 HydrophobicContact CB-CB 4.15Å; V192-L245 HydrophobicContact CB-CD1 4.49Å; V192-L245 HydrophobicContact CG2-CB 4.15Å; V192-L245 HydrophobicContact CG2-CD1 3.82Å; T193-L245 HydrophobicContact CG2-CD1 3.97Å; K241-L245 WeakPolarHBondContact O-CG 3.46Å; K241-L245 PolarHBondContact O-N 2.96Å; L242-L245 HydrophobicContact CD1-CD1 4.08Å; L242-L245 WeakPolarHBondContact O-CB 3.27Å; L242-L245 PolarHBondContact O-N 3.46Å; L242-L245 VanDerWaalsContact O-N 3.17Å; D243-L245 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 3.21Å
246P95.2Very high93.4Very high51 Ų5163.7 Ų63.733%0.33136%0.355SS..  trans-77.649.4-177.935-39.7000112.9V192 K196 K197 V198V192-P246 HydrophobicContact CB-CG 4.45Å; V192-P246 HydrophobicContact CG1-CG 4.46Å; K196-P246 WeakPolarHBondContact O-CG 3.38Å; K197-P246 HydrophobicContact CB-CB 4.35Å; K197-P246 HydrophobicContact CG-CB 4.26Å; V198-P246 PolarHBondContact N-O 3.06Å
247L96.5Very high93.4Very high24 Ų2460.9 Ų60.913%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-97.3111.5177.2-175.756.8000110.9A188 V192 V198 L214 L242 L245 I249A188-L247 HydrophobicContact CB-CD1 4.41Å; V192-L247 HydrophobicContact CG1-CB 3.9Å; V192-L247 HydrophobicContact CG1-CD1 4.18Å; V198-L247 HydrophobicContact CB-CD1 3.98Å; V198-L247 HydrophobicContact CG1-CD1 3.95Å; L214-L247 HydrophobicContact CD2-CD2 4.3Å; L242-L247 HydrophobicContact CD1-CD2 4.07Å; L245-L247 PolarHBondContact O-N 3.21Å; L247-I249 HydrophobicContact CD1-CG1 4.47Å; L247-I249 HydrophobicContact CD2-CD1 4.25Å; L247-I249 HydrophobicContact CD2-CG1 4.36Å; L247-I249 HydrophobicContact CG-CG1 4.15Å
248T96.8Very high93.5Very high43 Ų4361 Ų6126%0.26434%0.336SS..EExtended strand (participates in β ladder)trans-103.1109.6170.5-57.90000110.1V198 L199 F200 V267V198-T248 PolarHBondContact O-N 2.73Å; L199-T248 CarbonylContact C-O 3.58Å; L199-T248 WeakPolarHBondContact CA-O 3.5Å; L199-T248 HydrophobicContact CD1-CG2 3.88Å; L199-T248 WeakPolarHBondContact CD1-O 3.44Å; F200-T248 PolarHBondContact N-O 3.5Å; T248-V267 HydrophobicContact CG2-CG2 4.02Å
249I96.5Very high93.7Very high13 Ų1359.7 Ų59.77%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-92.5124.7169.2-58.4170.7000108.6F200 K207 L210 L211 L247F200-I249 HydrophobicContact CB-CG1 4.27Å; F200-I249 CarbonylContact O-C 3.45Å; F200-I249 WeakPolarHBondContact O-CA 3.23Å; K207-I249 HydrophobicContact CB-CB 4.33Å; K207-I249 HydrophobicContact CB-CG2 3.81Å; K207-I249 HydrophobicContact CD-CB 3.97Å; K207-I249 HydrophobicContact CD-CG2 4.39Å; K207-I249 HydrophobicContact CG-CB 3.81Å; K207-I249 HydrophobicContact CG-CD1 4Å; K207-I249 HydrophobicContact CG-CG1 4.48Å; K207-I249 HydrophobicContact CG-CG2 3.84Å; L210-I249 HydrophobicContact CB-CD1 4.36Å; L210-I249 HydrophobicContact CD1-CG2 4.03Å; L211-I249 HydrophobicContact CD2-CD1 3.97Å; L211-I249 HydrophobicContact CG-CD1 4.11Å; L247-I249 HydrophobicContact CD1-CG1 4.47Å; L247-I249 HydrophobicContact CD2-CD1 4.25Å; L247-I249 HydrophobicContact CD2-CG1 4.36Å; L247-I249 HydrophobicContact CG-CG1 4.15Å
250Y96.7Very high94Very high37 Ų3757.3 Ų57.315%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-114117177-173.6-130.6000109F200 C201 S202 K252 M255 D259 K263F200-Y250 PolarHBondContact O-N 2.98Å; C201-Y250 CarbonylContact C-O 3.5Å; C201-Y250 WeakPolarHBondContact CA-O 3.36Å; S202-Y250 PolarHBondContact N-O 3.34Å; Y250-K252 HydrophobicContact CD2-CB 4.47Å; Y250-K252 HydrophobicContact CE1-CB 4.25Å; Y250-K252 HydrophobicContact CE2-CB 3.77Å; Y250-K252 WeakPolarHBondContact OH-CD 3.45Å; Y250-M255 HydrophobicContact CD1-CE 3.25Å; Y250-M255 HydrophobicContact CD1-CG 4.43Å; Y250-M255 HydrophobicContact CD1-SD 3.51Å; Y250-M255 VanDerWaalsContact CD1-SD 3.51Å; Y250-M255 HydrophobicContact CE1-CE 3.57Å; Y250-M255 HydrophobicContact CE1-CG 3.96Å; Y250-M255 HydrophobicContact CE1-SD 3.65Å; Y250-M255 HydrophobicContact CG-CE 3.84Å; Y250-M255 WeakPolarHBondContact O-CE 3.37Å; Y250-D259 HydrophobicContact CE1-CB 4.39Å; Y250-K263 HydrophobicContact CD1-CB 4.02Å; Y250-K263 HydrophobicContact CD1-CG 3.89Å; Y250-K263 HydrophobicContact CD2-CD 4.32Å; Y250-K263 HydrophobicContact CD2-CG 4.19Å; Y250-K263 HydrophobicContact CE1-CB 3.97Å; Y250-K263 HydrophobicContact CE1-CG 4.2Å; Y250-K263 HydrophobicContact CE2-CD 4.42Å; Y250-K263 HydrophobicContact CE2-CG 4.48Å; Y250-K263 HydrophobicContact CG-CG 3.88Å
251D95.3Very high94.1Very high69 Ų6952.1 Ų52.137%0.36930%0.296SS..  trans-130.330.8-172.665.8-22.8000112.5S202 K207 A253S202-D251 WeakPolarHBondContact O-CA 3.19Å; K207-D251 HydrophobicContact CB-CB 4.47Å; K207-D251 VanDerWaalsContact CB-OD2 3.28Å; K207-D251 WeakPolarHBondContact CB-OD2 3.04Å; K207-D251 PolarHBondContact N-OD2 3.48Å; D251-A253 PolarHBondContact O-N 3Å
252K94.1Very high94.3Very high88 Ų8853.6 Ų53.638%0.38330%0.299SS..  trans-54127.3178.6179.8-171.8169.1-161.70110.7Y250 G254 M255 D259Y250-K252 HydrophobicContact CD2-CB 4.47Å; Y250-K252 HydrophobicContact CE1-CB 4.25Å; Y250-K252 HydrophobicContact CE2-CB 3.77Å; Y250-K252 WeakPolarHBondContact OH-CD 3.45Å; K252-G254 PolarHBondContact O-N 3.46Å; K252-M255 HydrophobicContact CB-CE 4.11Å; K252-M255 WeakPolarHBondContact O-CB 3.18Å; K252-M255 PolarHBondContact O-N 2.95Å; K252-D259 IonicContact NZ-OD1 3.66Å; K252-D259 PolarHBondContact NZ-OD1 2.82Å; K252-D259 IonicContact NZ-OD2 2.76Å; K252-D259 PolarHBondContact NZ-OD2 3.27Å
253A90.8Very high94.7Very high95 Ų9554.8 Ų54.879%0.78530%0.303SS*.THydrogen-bonded Turntrans-58.6133.1173.700000111.8D251 M255D251-A253 PolarHBondContact O-N 3Å; A253-M255 VanDerWaalsContact C-N 3.29Å; A253-M255 PolarHBondContact O-N 3.16Å
254G88.9Confident95Very high74 Ų7449 Ų4976%0.76327%0.272SS*.THydrogen-bonded Turntrans65.927.7179.700000114.3K252 T256K252-G254 PolarHBondContact O-N 3.46Å; G254-T256 PolarHBondContact O-N 3.41Å
255M93.3Very high95.2Very high9 Ų946.3 Ų46.34%0.04426%0.258CS..  trans-54.1127.1179.7-170.9-175.8-49.800112.5C201 L203 Y250 K252 A253 D259 I260C201-M255 HydrophobicContact CB-SD 4.06Å; L203-M255 HydrophobicContact CG-SD 4.49Å; Y250-M255 HydrophobicContact CD1-CE 3.25Å; Y250-M255 HydrophobicContact CD1-CG 4.43Å; Y250-M255 HydrophobicContact CD1-SD 3.51Å; Y250-M255 VanDerWaalsContact CD1-SD 3.51Å; Y250-M255 HydrophobicContact CE1-CE 3.57Å; Y250-M255 HydrophobicContact CE1-CG 3.96Å; Y250-M255 HydrophobicContact CE1-SD 3.65Å; Y250-M255 HydrophobicContact CG-CE 3.84Å; Y250-M255 WeakPolarHBondContact O-CE 3.37Å; K252-M255 HydrophobicContact CB-CE 4.11Å; K252-M255 WeakPolarHBondContact O-CB 3.18Å; K252-M255 PolarHBondContact O-N 2.95Å; A253-M255 VanDerWaalsContact C-N 3.29Å; A253-M255 PolarHBondContact O-N 3.16Å; M255-D259 HydrophobicContact CG-CB 3.91Å; M255-I260 HydrophobicContact CG-CG1 3.9Å; M255-I260 HydrophobicContact SD-CD1 3.94Å; M255-I260 HydrophobicContact SD-CG1 3.39Å; M255-I260 WeakPolarHBondContact SD-CG1 3.39Å
256T95.3Very high95.4Very high30 Ų3050 Ų5018%0.18427%0.274CS..BIsolated β-bridgetrans-96.1165.617271.30000111.6G254 E258 D259 I260 R281G254-T256 PolarHBondContact O-N 3.41Å; T256-E258 VanDerWaalsContact CB-OE2 3.25Å; T256-E258 WeakPolarHBondContact CB-OE2 3.32Å; T256-E258 PolarHBondContact O-N 2.7Å; T256-E258 PolarHBondContact OG1-N 2.62Å; T256-E258 PolarHBondContact OG1-OE2 2.98Å; T256-D259 PolarHBondContact N-OD2 3.44Å; T256-D259 WeakPolarHBondContact O-CB 3.42Å; T256-D259 PolarHBondContact O-N 3.15Å; T256-D259 VanDerWaalsContact O-N 3.07Å; T256-D259 PolarHBondContact OG1-N 2.87Å; T256-I260 PolarHBondContact O-N 2.8Å; T256-I260 VanDerWaalsContact O-N 3.12Å; T256-R281 CarbonylContact C-O 3.53Å; T256-R281 WeakPolarHBondContact CA-O 3.47Å
257F95Very high95.4Very high16 Ų1648 Ų487%0.0726%0.26CS..Hα-helixtrans-55.9-38.3172.3-179.5-103.3000112D259 I260 V261 L280 R281 L296 K299 I300 L303F257-D259 VanDerWaalsContact C-N 3.31Å; F257-D259 PolarHBondContact O-N 2.74Å; F257-I260 WeakPolarHBondContact O-CB 3.47Å; F257-I260 PolarHBondContact O-N 3.21Å; F257-I260 VanDerWaalsContact O-N 3.16Å; F257-V261 HydrophobicContact CD1-CG2 4.04Å; F257-V261 HydrophobicContact CE1-CG2 3.54Å; F257-V261 HydrophobicContact CE2-CG2 4.33Å; F257-V261 HydrophobicContact CZ-CG2 3.72Å; F257-V261 WeakPolarHBondContact O-CG2 3.5Å; F257-V261 PolarHBondContact O-N 3Å; F257-L280 HydrophobicContact CB-CD1 4.25Å; F257-L280 HydrophobicContact CD2-CD2 4.13Å; F257-R281 PolarHBondContact N-O 2.77Å; F257-L296 HydrophobicContact CB-CD2 3.68Å; F257-L296 HydrophobicContact CD2-CD2 4.33Å; F257-L296 HydrophobicContact CG-CD2 4.01Å; F257-K299 HydrophobicContact CD1-CB 4.3Å; F257-K299 HydrophobicContact CE1-CB 3.64Å; F257-K299 HydrophobicContact CE1-CD 4.41Å; F257-K299 HydrophobicContact CE1-CG 4.32Å; F257-K299 HydrophobicContact CE2-CB 4.25Å; F257-K299 HydrophobicContact CZ-CB 3.6Å; F257-I300 HydrophobicContact CD2-CG1 4.39Å; F257-I300 HydrophobicContact CE2-CG1 3.82Å; F257-L303 HydrophobicContact CE2-CD2 4.15Å; F257-L303 HydrophobicContact CZ-CB 4.2Å; F257-L303 HydrophobicContact CZ-CD2 4.21Å
258E95.1Very high95.4Very high57 Ų5753.9 Ų53.927%0.26629%0.288SS..Hα-helixtrans-65.3-34.4177.2-60.579.7-178.400112.4T256 V261 R262 T282 T283T256-E258 VanDerWaalsContact CB-OE2 3.25Å; T256-E258 WeakPolarHBondContact CB-OE2 3.32Å; T256-E258 PolarHBondContact O-N 2.7Å; T256-E258 PolarHBondContact OG1-N 2.62Å; T256-E258 PolarHBondContact OG1-OE2 2.98Å; E258-V261 PolarHBondContact O-N 2.81Å; E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 PolarHBondContact O-N 3.28Å; E258-T282 PolarHBondContact OE1-OG1 3.17Å; E258-T283 VanDerWaalsContact CD-OG1 3.26Å; E258-T283 HydrophobicContact CG-CG2 4.27Å; E258-T283 PolarHBondContact OE1-N 3.41Å; E258-T283 VanDerWaalsContact OE1-N 3.12Å; E258-T283 PolarHBondContact OE1-OG1 2.81Å; E258-T283 PolarHBondContact OE2-N 2.78Å; E258-T283 VanDerWaalsContact OE2-N 3.17Å
259D96.5Very high95.5Very high13 Ų1352.2 Ų52.27%0.0728%0.277CS..Hα-helixtrans-64.6-42171.7-69.3-42.7000111.6Y250 K252 M255 T256 F257 R262 K263Y250-D259 HydrophobicContact CE1-CB 4.39Å; K252-D259 IonicContact NZ-OD1 3.66Å; K252-D259 PolarHBondContact NZ-OD1 2.82Å; K252-D259 IonicContact NZ-OD2 2.76Å; K252-D259 PolarHBondContact NZ-OD2 3.27Å; M255-D259 HydrophobicContact CG-CB 3.91Å; T256-D259 PolarHBondContact N-OD2 3.44Å; T256-D259 WeakPolarHBondContact O-CB 3.42Å; T256-D259 PolarHBondContact O-N 3.15Å; T256-D259 VanDerWaalsContact O-N 3.07Å; T256-D259 PolarHBondContact OG1-N 2.87Å; F257-D259 VanDerWaalsContact C-N 3.31Å; F257-D259 PolarHBondContact O-N 2.74Å; D259-R262 PolarHBondContact O-N 3.12Å; D259-R262 IonicContact OD1-CZ 2.85Å; D259-R262 IonicContact OD1-NH1 3.56Å; D259-R262 PolarHBondContact OD1-NH1 3.41Å; D259-R262 VanDerWaalsContact OD1-NH1 3.1Å; D259-R262 IonicContact OD1-NH2 2.65Å; D259-R262 PolarHBondContact OD1-NH2 3.46Å; D259-K263 WeakPolarHBondContact O-CB 3.25Å; D259-K263 PolarHBondContact O-N 3.22Å
260I96.9Very high95.5Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-60.1-49175.4-66.2177.1000110.3C201 L203 M255 T256 F257 R262 K263 A264 M272 I274 L280 L303C201-I260 HydrophobicContact CB-CD1 4.19Å; C201-I260 HydrophobicContact CB-CG1 4.22Å; L203-I260 HydrophobicContact CD1-CD1 4.45Å; M255-I260 HydrophobicContact CG-CG1 3.9Å; M255-I260 HydrophobicContact SD-CD1 3.94Å; M255-I260 HydrophobicContact SD-CG1 3.39Å; M255-I260 WeakPolarHBondContact SD-CG1 3.39Å; T256-I260 PolarHBondContact O-N 2.8Å; T256-I260 VanDerWaalsContact O-N 3.12Å; F257-I260 WeakPolarHBondContact O-CB 3.47Å; F257-I260 PolarHBondContact O-N 3.21Å; F257-I260 VanDerWaalsContact O-N 3.16Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 2.69Å; I260-K263 PolarHBondContact O-N 2.83Å; I260-A264 WeakPolarHBondContact O-CB 3.29Å; I260-A264 PolarHBondContact O-N 3.33Å; I260-M272 HydrophobicContact CG2-CE 3.7Å; I260-M272 HydrophobicContact CG2-SD 3.76Å; I260-I274 HydrophobicContact CD1-CD1 4.38Å; I260-I274 HydrophobicContact CD1-CG1 4.45Å; I260-I274 HydrophobicContact CD1-CG2 4.12Å; I260-I274 HydrophobicContact CG2-CD1 4.32Å; I260-L280 HydrophobicContact CD1-CD1 3.55Å; I260-L303 HydrophobicContact CG2-CD2 4.42Å
261V96.4Very high95.5Very high26 Ų2652.8 Ų52.816%0.15828%0.283CS..Hα-helixtrans-59-45.7179176.40000111.1F257 E258 K263 A264 K265 L303F257-V261 HydrophobicContact CD1-CG2 4.04Å; F257-V261 HydrophobicContact CE1-CG2 3.54Å; F257-V261 HydrophobicContact CE2-CG2 4.33Å; F257-V261 HydrophobicContact CZ-CG2 3.72Å; F257-V261 WeakPolarHBondContact O-CG2 3.5Å; F257-V261 PolarHBondContact O-N 3Å; E258-V261 PolarHBondContact O-N 2.81Å; V261-K263 VanDerWaalsContact C-N 3.35Å; V261-K263 PolarHBondContact O-N 3.25Å; V261-A264 WeakPolarHBondContact O-CB 3.33Å; V261-A264 PolarHBondContact O-N 2.91Å; V261-K265 HydrophobicContact CG1-CD 4.41Å; V261-K265 WeakPolarHBondContact O-CG 3.47Å; V261-K265 PolarHBondContact O-N 2.92Å; V261-L303 HydrophobicContact CB-CD1 4.44Å; V261-L303 HydrophobicContact CG1-CD1 4.17Å; V261-L303 HydrophobicContact CG2-CD1 3.92Å; V261-L303 HydrophobicContact CG2-CD2 4.12Å
262R96.5Very high95.6Very high133 Ų13349.5 Ų49.550%0.50227%0.265SS..Hα-helixtrans-60.8-44.8177.6-174.1177.464.7-112.3-9.5111.2E258 D259 I260 K265 E266E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 PolarHBondContact O-N 3.28Å; D259-R262 PolarHBondContact O-N 3.12Å; D259-R262 IonicContact OD1-CZ 2.85Å; D259-R262 IonicContact OD1-NH1 3.56Å; D259-R262 PolarHBondContact OD1-NH1 3.41Å; D259-R262 VanDerWaalsContact OD1-NH1 3.1Å; D259-R262 IonicContact OD1-NH2 2.65Å; D259-R262 PolarHBondContact OD1-NH2 3.46Å; I260-R262 VanDerWaalsContact C-N 3.34Å; I260-R262 PolarHBondContact O-N 2.69Å; R262-K265 PolarHBondContact O-N 3.16Å; R262-E266 PolarHBondContact O-N 2.91Å; R262-E266 VanDerWaalsContact O-N 3.1Å
263K97.3Very high95.8Very high36 Ų3645.3 Ų45.316%0.15725%0.247CC..Hα-helixtrans-67.2-36.7178.8-168.460.4175.7175.80112.1L199 Y250 D259 I260 V261 K265 E266 V267L199-K263 HydrophobicContact CD1-CG 4.13Å; L199-K263 HydrophobicContact CD2-CB 4.43Å; L199-K263 HydrophobicContact CD2-CG 4.09Å; Y250-K263 HydrophobicContact CD1-CB 4.02Å; Y250-K263 HydrophobicContact CD1-CG 3.89Å; Y250-K263 HydrophobicContact CD2-CD 4.32Å; Y250-K263 HydrophobicContact CD2-CG 4.19Å; Y250-K263 HydrophobicContact CE1-CB 3.97Å; Y250-K263 HydrophobicContact CE1-CG 4.2Å; Y250-K263 HydrophobicContact CE2-CD 4.42Å; Y250-K263 HydrophobicContact CE2-CG 4.48Å; Y250-K263 HydrophobicContact CG-CG 3.88Å; D259-K263 WeakPolarHBondContact O-CB 3.25Å; D259-K263 PolarHBondContact O-N 3.22Å; I260-K263 PolarHBondContact O-N 2.83Å; V261-K263 VanDerWaalsContact C-N 3.35Å; V261-K263 PolarHBondContact O-N 3.25Å; K263-K265 PolarHBondContact O-N 3.36Å; K263-E266 WeakPolarHBondContact CD-OE2 3.32Å; K263-E266 VanDerWaalsContact NZ-CD 3.32Å; K263-E266 IonicContact NZ-OE1 3.83Å; K263-E266 PolarHBondContact NZ-OE1 3.41Å; K263-E266 IonicContact NZ-OE2 3.25Å; K263-E266 PolarHBondContact NZ-OE2 3.37Å; K263-E266 PolarHBondContact O-N 2.88Å; K263-V267 HydrophobicContact CD-CG2 4.04Å; K263-V267 HydrophobicContact CG-CG2 4.17Å; K263-V267 WeakPolarHBondContact O-CB 3.46Å; K263-V267 VanDerWaalsContact O-CG2 3.31Å; K263-V267 WeakPolarHBondContact O-CG2 3.43Å; K263-V267 PolarHBondContact O-N 2.82Å
264A97.4Very high96.1Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-60.1-45.117500000111.9L199 I260 V261 V267 Q268 P269 M272 L307L199-A264 HydrophobicContact CD2-CB 4.28Å; I260-A264 WeakPolarHBondContact O-CB 3.29Å; I260-A264 PolarHBondContact O-N 3.33Å; V261-A264 WeakPolarHBondContact O-CB 3.33Å; V261-A264 PolarHBondContact O-N 2.91Å; A264-V267 PolarHBondContact O-N 2.76Å; A264-Q268 WeakPolarHBondContact O-CA 3.45Å; A264-Q268 PolarHBondContact O-N 3.38Å; A264-P269 VanDerWaalsContact O-CD 3.26Å; A264-P269 WeakPolarHBondContact O-CD 3.24Å; A264-M272 HydrophobicContact CB-CE 3.41Å; A264-M272 VanDerWaalsContact CB-CE 3.41Å; A264-L307 HydrophobicContact CB-CD1 3.53Å
265K95.2Very high96.3Very high107 Ų10737.4 Ų37.447%0.46517%0.174SC..Hα-helixtrans-67.3-34.3177.7-69.5-176.6179.1-168.30112.9V261 R262 K263 Q268 E306 L307V261-K265 HydrophobicContact CG1-CD 4.41Å; V261-K265 WeakPolarHBondContact O-CG 3.47Å; V261-K265 PolarHBondContact O-N 2.92Å; R262-K265 PolarHBondContact O-N 3.16Å; K263-K265 PolarHBondContact O-N 3.36Å; K265-Q268 WeakPolarHBondContact O-CG 3.41Å; K265-E306 WeakPolarHBondContact CE-OE1 3.49Å; K265-E306 IonicContact NZ-OE1 3.38Å; K265-E306 PolarHBondContact NZ-OE1 3.03Å; K265-L307 HydrophobicContact CG-CD2 4.28Å
266E96.5Very high95.9Very high129 Ų12937.5 Ų37.560%0.60317%0.174SC*.Hα-helixtrans-69.2-45.8174.7-175.6-160.2135.300111.9R262 K263R262-E266 PolarHBondContact O-N 2.91Å; R262-E266 VanDerWaalsContact O-N 3.1Å; K263-E266 WeakPolarHBondContact CD-OE2 3.32Å; K263-E266 VanDerWaalsContact NZ-CD 3.32Å; K263-E266 IonicContact NZ-OE1 3.83Å; K263-E266 PolarHBondContact NZ-OE1 3.41Å; K263-E266 IonicContact NZ-OE2 3.25Å; K263-E266 PolarHBondContact NZ-OE2 3.37Å; K263-E266 PolarHBondContact O-N 2.88Å
267V96.4Very high95.5Very high8 Ų836.5 Ų36.55%0.04817%0.168CC..Hα-helixtrans-79.9-32.4-175.8176.10000111.4K197 L199 T248 K263 A264 P269K197-V267 HydrophobicContact CD-CG1 4.39Å; K197-V267 WeakPolarHBondContact CD-O 3.41Å; K197-V267 WeakPolarHBondContact CE-O 3.31Å; K197-V267 HydrophobicContact CG-CG1 4.44Å; K197-V267 PolarHBondContact NZ-O 2.78Å; L199-V267 HydrophobicContact CB-CG1 4.32Å; L199-V267 HydrophobicContact CD1-CG2 4.4Å; L199-V267 HydrophobicContact CD2-CB 4.22Å; L199-V267 HydrophobicContact CD2-CG2 4.32Å; T248-V267 HydrophobicContact CG2-CG2 4.02Å; K263-V267 HydrophobicContact CD-CG2 4.04Å; K263-V267 HydrophobicContact CG-CG2 4.17Å; K263-V267 WeakPolarHBondContact O-CB 3.46Å; K263-V267 VanDerWaalsContact O-CG2 3.31Å; K263-V267 WeakPolarHBondContact O-CG2 3.43Å; K263-V267 PolarHBondContact O-N 2.82Å; A264-V267 PolarHBondContact O-N 2.76Å; V267-P269 HydrophobicContact CG1-CB 4.29Å
268Q96.7Very high94.9Very high149 Ų14937.7 Ų37.770%0.69618%0.181SC*.  trans49.457.2-171.9-56.5-179.9-41.600111.9A264 K265A264-Q268 WeakPolarHBondContact O-CA 3.45Å; A264-Q268 PolarHBondContact O-N 3.38Å; K265-Q268 WeakPolarHBondContact O-CG 3.41Å
269P97.6Very high94.5Very high8 Ų837.9 Ų37.95%0.05218%0.183CC..  trans-69.8158.9-178.633.4-36.5000111.2K197 L199 A264 V267 I309K197-P269 CarbonylContact O-C 3.46Å; L199-P269 HydrophobicContact CB-CB 3.73Å; L199-P269 HydrophobicContact CB-CG 3.79Å; L199-P269 HydrophobicContact CD2-CG 4.33Å; A264-P269 VanDerWaalsContact O-CD 3.26Å; A264-P269 WeakPolarHBondContact O-CD 3.24Å; V267-P269 HydrophobicContact CG1-CB 4.29Å; P269-I309 HydrophobicContact CG-CD1 3.82Å; P269-I309 WeakPolarHBondContact O-CG2 3.26Å
270D96.8Very high94.3Very high61 Ų6137.3 Ų37.333%0.32618%0.18SC..SBendtrans-80.8-25.8168.2-67.1-63.1000112.1I150 K196 K197 I309 P310I150-D270 HydrophobicContact CD1-CB 4.44Å; I150-D270 WeakPolarHBondContact CD1-O 3.15Å; K196-D270 WeakPolarHBondContact CA-OD2 3.41Å; K196-D270 HydrophobicContact CB-CB 4.09Å; K196-D270 HydrophobicContact CD-CB 4.19Å; K197-D270 PolarHBondContact N-OD2 3.46Å; K197-D270 PolarHBondContact O-N 2.82Å; D270-I309 WeakPolarHBondContact O-CB 3.46Å; D270-I309 WeakPolarHBondContact O-CG2 3.44Å; D270-P310 WeakPolarHBondContact O-CD 3.37Å
271I97.7Very high94.1Very high0 Ų042.6 Ų42.60%020%0.2CC..EExtended strand (participates in β ladder)trans-151.4143.7176.9-175.7167.3000110.2I150 F164 Y191 K197 V198 L199 F273 P310 V312I150-I271 HydrophobicContact CD1-CB 4.39Å; F164-I271 HydrophobicContact CD2-CD1 3.93Å; Y191-I271 HydrophobicContact CD1-CD1 4.48Å; Y191-I271 HydrophobicContact CD2-CD1 3.88Å; Y191-I271 HydrophobicContact CD2-CG2 4.18Å; Y191-I271 HydrophobicContact CE1-CD1 4.08Å; Y191-I271 HydrophobicContact CE2-CD1 3.47Å; Y191-I271 VanDerWaalsContact CE2-CD1 3.47Å; Y191-I271 HydrophobicContact CG-CD1 4.38Å; Y191-I271 HydrophobicContact CG-CG2 4.03Å; K197-I271 PolarHBondContact O-N 3.16Å; V198-I271 HydrophobicContact CB-CG2 4.42Å; V198-I271 HydrophobicContact CG1-CG2 4.4Å; V198-I271 HydrophobicContact CG2-CG2 3.66Å; L199-I271 PolarHBondContact N-O 2.95Å; L199-I271 VanDerWaalsContact N-O 3.16Å; I271-F273 HydrophobicContact CD1-CE2 4.21Å; I271-F273 HydrophobicContact CD1-CZ 4.29Å; I271-F273 HydrophobicContact CG1-CE2 4.17Å; I271-F273 HydrophobicContact CG2-CE2 4.36Å; I271-P310 HydrophobicContact CD1-CB 4.1Å; I271-P310 HydrophobicContact CD1-CG 4.29Å; I271-P310 HydrophobicContact CG1-CB 4.08Å; I271-P310 HydrophobicContact CG1-CG 4.32Å; I271-P310 WeakPolarHBondContact CG1-O 3.37Å; I271-V312 HydrophobicContact CD1-CG2 4.14Å; I271-V312 HydrophobicContact CG1-CG2 4.49Å
272M97.8Very high93.8Very high0 Ų042 Ų420%020%0.196CC..EExtended strand (participates in β ladder)trans-120.7142.6-179.1171178.9-89.600111.9L199 I260 A264 I274 L303 I309 P310 V311 V312L199-M272 HydrophobicContact CB-CE 4.39Å; L199-M272 HydrophobicContact CD2-CE 3.25Å; L199-M272 HydrophobicContact CG-CE 3.8Å; L199-M272 CarbonylContact O-C 3.59Å; L199-M272 VanDerWaalsContact O-CA 3.31Å; L199-M272 WeakPolarHBondContact O-CA 3.47Å; I260-M272 HydrophobicContact CG2-CE 3.7Å; I260-M272 HydrophobicContact CG2-SD 3.76Å; A264-M272 HydrophobicContact CB-CE 3.41Å; A264-M272 VanDerWaalsContact CB-CE 3.41Å; M272-I274 HydrophobicContact CG-CG1 4.25Å; M272-I274 HydrophobicContact SD-CD1 4.23Å; M272-I274 HydrophobicContact SD-CG1 4.2Å; M272-L303 HydrophobicContact SD-CD2 4.13Å; M272-I309 HydrophobicContact CB-CD1 4.14Å; M272-P310 PolarHBondContact N-O 3.46Å; M272-P310 VanDerWaalsContact N-O 3.08Å; M272-V311 HydrophobicContact CB-CG1 4.42Å; M272-V311 HydrophobicContact CB-CG2 4.36Å; M272-V311 HydrophobicContact CG-CG1 4.22Å; M272-V311 HydrophobicContact SD-CG1 4.2Å; M272-V312 PolarHBondContact O-N 2.75Å
273F97.6Very high93.5Very high1 Ų140.7 Ų40.70%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-116.4142.3169.8-66.9-99.8000111L187 A188 Y191 V198 L199 F200 C201 I271 V312L187-F273 HydrophobicContact CB-CE1 3.9Å; L187-F273 HydrophobicContact CB-CZ 3.81Å; L187-F273 HydrophobicContact CD1-CE1 4.28Å; A188-F273 HydrophobicContact CB-CD2 4.15Å; A188-F273 HydrophobicContact CB-CE2 3.89Å; A188-F273 HydrophobicContact CB-CZ 4.29Å; Y191-F273 AromaticContact CD2-CE2 4Å; Y191-F273 HydrophobicContact CD2-CE2 4Å; Y191-F273 AromaticContact CD2-CZ 3.8Å; Y191-F273 HydrophobicContact CD2-CZ 3.8Å; Y191-F273 HydrophobicContact CE2-CE2 4.34Å; Y191-F273 AromaticContact CE2-CZ 3.77Å; Y191-F273 HydrophobicContact CE2-CZ 3.77Å; V198-F273 HydrophobicContact CG1-CD2 3.78Å; V198-F273 HydrophobicContact CG1-CE2 3.89Å; L199-F273 PolarHBondContact O-N 3.34Å; F200-F273 HydrophobicContact CD2-CB 3.48Å; F200-F273 VanDerWaalsContact CD2-CB 3.48Å; F200-F273 HydrophobicContact CD2-CD2 4.19Å; F200-F273 AromaticContact CD2-CG 3.83Å; F200-F273 HydrophobicContact CD2-CG 3.83Å; F200-F273 HydrophobicContact CE2-CB 3.77Å; F200-F273 HydrophobicContact CE2-CD1 4.31Å; F200-F273 HydrophobicContact CE2-CG 4.05Å; F200-F273 HydrophobicContact CG-CB 4.01Å; F200-F273 HydrophobicContact CZ-CB 4.49Å; C201-F273 WeakPolarHBondContact CB-O 3.39Å; C201-F273 PolarHBondContact N-O 3.5Å; I271-F273 HydrophobicContact CD1-CE2 4.21Å; I271-F273 HydrophobicContact CD1-CZ 4.29Å; I271-F273 HydrophobicContact CG1-CE2 4.17Å; I271-F273 HydrophobicContact CG2-CE2 4.36Å; F273-V312 CarbonylContact C-O 3.18Å; F273-V312 VanDerWaalsContact CA-O 3.25Å; F273-V312 WeakPolarHBondContact CA-O 3.45Å; F273-V312 HydrophobicContact CD1-CB 3.63Å; F273-V312 HydrophobicContact CD1-CG1 3.79Å; F273-V312 HydrophobicContact CD1-CG2 4.22Å; F273-V312 HydrophobicContact CE1-CB 3.8Å; F273-V312 HydrophobicContact CE1-CG1 3.84Å; F273-V312 HydrophobicContact CE1-CG2 3.92Å; F273-V312 HydrophobicContact CG-CB 4.25Å; F273-V312 HydrophobicContact CZ-CG2 4.25Å
274I96.1Very high93Very high1 Ų144.7 Ų44.71%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-128.9110.3175.5-56.7175.8000108.9L203 I260 M272 L280 I300 V311 V312 C313 L314L203-I274 HydrophobicContact CD1-CG2 3.86Å; I260-I274 HydrophobicContact CD1-CD1 4.38Å; I260-I274 HydrophobicContact CD1-CG1 4.45Å; I260-I274 HydrophobicContact CD1-CG2 4.12Å; I260-I274 HydrophobicContact CG2-CD1 4.32Å; M272-I274 HydrophobicContact CG-CG1 4.25Å; M272-I274 HydrophobicContact SD-CD1 4.23Å; M272-I274 HydrophobicContact SD-CG1 4.2Å; I274-L280 HydrophobicContact CG2-CD2 4.46Å; I274-I300 HydrophobicContact CD1-CD1 4.21Å; I274-I300 HydrophobicContact CD1-CG1 4.11Å; I274-V311 HydrophobicContact CD1-CG1 3.88Å; I274-V311 HydrophobicContact CG1-CG1 4.36Å; I274-V312 PolarHBondContact N-O 2.77Å; I274-C313 HydrophobicContact CB-CB 4.45Å; I274-L314 PolarHBondContact O-N 3.4Å
275D93.6Very high92.5Very high2 Ų253.8 Ų53.81%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-114.297.7179.1-166.52000111.2T181 F200 C201 L203 L314T181-D275 VanDerWaalsContact CB-OD2 3.29Å; T181-D275 WeakPolarHBondContact CB-OD2 3.35Å; T181-D275 WeakPolarHBondContact CG2-OD2 3.2Å; T181-D275 PolarHBondContact OG1-OD2 3.2Å; F200-D275 HydrophobicContact CE1-CB 3.91Å; F200-D275 HydrophobicContact CZ-CB 4.13Å; C201-D275 PolarHBondContact O-N 3.13Å; L203-D275 WeakPolarHBondContact CA-O 3.44Å; L203-D275 WeakPolarHBondContact CB-O 3.46Å; L203-D275 VanDerWaalsContact CD1-O 3.3Å; L203-D275 WeakPolarHBondContact CD1-O 3.46Å; L203-D275 PolarHBondContact N-O 2.98Å; D275-L314 HydrophobicContact CB-CD1 3.63Å; D275-L314 VanDerWaalsContact OD1-CD1 3.25Å; D275-L314 WeakPolarHBondContact OD1-CD1 3.29Å; D275-L314 WeakPolarHBondContact OD2-CD1 3.46Å
276H85.7Confident92.1Very high10 Ų1051 Ų515%0.04625%0.248CC..  cis-142.2165.11.260.3102.3000111.2E204 A278 I279 L280 L314E204-H276 IonicContact OE2-CD2 3.38Å; E204-H276 PolarHBondContact OE2-CD2 3.29Å; E204-H276 VanDerWaalsContact OE2-CD2 3.3Å; E204-H276 IonicContact OE2-NE2 3.13Å; E204-H276 PolarHBondContact OE2-NE2 3.32Å; H276-A278 WeakPolarHBondContact ND1-CB 3.31Å; H276-A278 PolarHBondContact ND1-N 2.94Å; H276-A278 PolarHBondContact O-N 2.9Å; H276-A278 VanDerWaalsContact O-N 3.09Å; H276-I279 WeakPolarHBondContact NE2-CD1 3.34Å; H276-I279 WeakPolarHBondContact NE2-CG1 3.43Å; H276-I279 PolarHBondContact O-N 3.29Å; H276-L280 PolarHBondContact O-N 3.32Å; H276-L314 HydrophobicContact CB-CB 3.85Å; H276-L314 WeakPolarHBondContact CB-O 3.2Å
277L85.8Confident91.4Very high9 Ų953.8 Ų53.85%0.04726%0.258CS..THydrogen-bonded Turntrans-55.5-32.5-174.5-172.358.3000114F171 I279 L280 R289 V293 L296 I300 L314 V315F171-L277 HydrophobicContact CE1-CD2 4.19Å; L277-I279 PolarHBondContact O-N 2.84Å; L277-L280 HydrophobicContact CD1-CD2 4.22Å; L277-L280 PolarHBondContact O-N 2.85Å; L277-R289 PolarHBondContact O-NH2 3.46Å; L277-V293 HydrophobicContact CD2-CG1 3.92Å; L277-V293 HydrophobicContact CG-CG1 4.16Å; L277-L296 HydrophobicContact CD1-CB 4Å; L277-I300 HydrophobicContact CD1-CD1 3.65Å; L277-L314 WeakPolarHBondContact CB-O 3.49Å; L277-L314 PolarHBondContact N-O 2.85Å; L277-V315 HydrophobicContact CB-CG2 4.36Å; L277-V315 HydrophobicContact CD2-CG2 4.08Å
278A82.1Confident90.9Very high41 Ų4155.6 Ų55.634%0.33927%0.271SS..THydrogen-bonded Turntrans-73.5-25.8-174.200000113.1H276 R281 R289H276-A278 WeakPolarHBondContact ND1-CB 3.31Å; H276-A278 PolarHBondContact ND1-N 2.94Å; H276-A278 PolarHBondContact O-N 2.9Å; H276-A278 VanDerWaalsContact O-N 3.09Å; A278-R281 PolarHBondContact O-NH1 3.19Å; A278-R289 VanDerWaalsContact C-NH2 3.28Å; A278-R289 PolarHBondContact O-NH2 2.9Å
279I88.5Confident90.2Very high62 Ų6252 Ų5232%0.31825%0.252SS..THydrogen-bonded Turntrans-87.4-28.5172.7-66.4172.4000111.5L203 E204 H276 L277 R281L203-I279 HydrophobicContact CB-CB 4.22Å; L203-I279 HydrophobicContact CB-CG2 3.9Å; L203-I279 HydrophobicContact CD2-CG2 4.33Å; E204-I279 HydrophobicContact CB-CD1 3.68Å; E204-I279 HydrophobicContact CG-CD1 3.8Å; H276-I279 WeakPolarHBondContact NE2-CD1 3.34Å; H276-I279 WeakPolarHBondContact NE2-CG1 3.43Å; H276-I279 PolarHBondContact O-N 3.29Å; L277-I279 PolarHBondContact O-N 2.84Å; I279-R281 PolarHBondContact O-N 3.45Å; I279-R281 PolarHBondContact O-NH1 2.95Å
280L91.9Very high89.1Confident0 Ų060.4 Ų60.40%028%0.284CS..  trans-54.4133.3-179.1-174.463.9000112.6L203 F257 I260 I274 H276 L277 R289 L296 I300L203-L280 HydrophobicContact CD2-CB 3.88Å; L203-L280 HydrophobicContact CD2-CD1 3.66Å; L203-L280 HydrophobicContact CD2-CG 4.39Å; F257-L280 HydrophobicContact CB-CD1 4.25Å; F257-L280 HydrophobicContact CD2-CD2 4.13Å; I260-L280 HydrophobicContact CD1-CD1 3.55Å; I274-L280 HydrophobicContact CG2-CD2 4.46Å; H276-L280 PolarHBondContact O-N 3.32Å; L277-L280 HydrophobicContact CD1-CD2 4.22Å; L277-L280 PolarHBondContact O-N 2.85Å; L280-R289 VanDerWaalsContact O-CZ 3.31Å; L280-R289 PolarHBondContact O-NH1 2.71Å; L280-R289 PolarHBondContact O-NH2 3.31Å; L280-L296 HydrophobicContact CB-CD1 4.24Å; L280-L296 HydrophobicContact CD2-CB 4.47Å; L280-L296 HydrophobicContact CD2-CD1 4.27Å; L280-L296 HydrophobicContact CD2-CD2 3.98Å; L280-L296 HydrophobicContact CD2-CG 4.48Å; L280-L296 HydrophobicContact CG-CD1 4.02Å; L280-L296 HydrophobicContact CG-CD2 4.07Å; L280-L296 VanDerWaalsContact O-CD1 3.28Å; L280-L296 WeakPolarHBondContact O-CD1 3.23Å; L280-I300 HydrophobicContact CD2-CD1 4.16Å
281R92.5Very high88.1Confident112 Ų11261.7 Ų61.742%0.42329%0.287SS..BIsolated β-bridgetrans-123162.3175.8-61.4-61-177.6-91.71.2110.2T256 F257 A278 I279 E292T256-R281 CarbonylContact C-O 3.53Å; T256-R281 WeakPolarHBondContact CA-O 3.47Å; F257-R281 PolarHBondContact N-O 2.77Å; A278-R281 PolarHBondContact O-NH1 3.19Å; I279-R281 PolarHBondContact O-N 3.45Å; I279-R281 PolarHBondContact O-NH1 2.95Å; R281-E292 WeakPolarHBondContact CA-OE1 3.26Å; R281-E292 VanDerWaalsContact CD-OE1 3.26Å; R281-E292 WeakPolarHBondContact CD-OE1 3.15Å
282T90.9Very high87.4Confident13 Ų1362.7 Ų62.78%0.0829%0.292CS..  trans-122.9158.2171.2165.90000109.6E258 K284 F286 E292 F295 L296E258-T282 PolarHBondContact OE1-OG1 3.17Å; T282-K284 HydrophobicContact CG2-CB 4.27Å; T282-K284 PolarHBondContact O-N 3.43Å; T282-K284 PolarHBondContact OG1-N 3.17Å; T282-F286 HydrophobicContact CG2-CD2 4.16Å; T282-F286 HydrophobicContact CG2-CE2 3.56Å; T282-E292 HydrophobicContact CG2-CG 4.04Å; T282-E292 PolarHBondContact N-OE1 3.47Å; T282-F295 HydrophobicContact CG2-CD1 4.08Å; T282-F295 HydrophobicContact CG2-CE1 4.08Å; T282-L296 HydrophobicContact CG2-CD2 4.08Å; T282-L296 HydrophobicContact CG2-CG 4.41Å
283T89.1Confident86.5Confident105 Ų10564.7 Ų64.764%0.64430%0.304SS*.SBendtrans-62.2-17.2172.557.20000113.6E258E258-T283 VanDerWaalsContact CD-OG1 3.26Å; E258-T283 HydrophobicContact CG-CG2 4.27Å; E258-T283 PolarHBondContact OE1-N 3.41Å; E258-T283 VanDerWaalsContact OE1-N 3.12Å; E258-T283 PolarHBondContact OE1-OG1 2.81Å; E258-T283 PolarHBondContact OE2-N 2.78Å; E258-T283 VanDerWaalsContact OE2-N 3.17Å
284K86.7Confident85.5Confident120 Ų12067.2 Ų67.252%0.52232%0.322SS..SBendtrans-80.1139.2177.3-67.9-168.9-179.1-169.10111.8T282 F286 F295T282-K284 HydrophobicContact CG2-CB 4.27Å; T282-K284 PolarHBondContact O-N 3.43Å; T282-K284 PolarHBondContact OG1-N 3.17Å; K284-F286 HydrophobicContact CB-CD2 4.45Å; K284-F286 HydrophobicContact CB-CE2 3.67Å; K284-F286 HydrophobicContact CB-CZ 4.22Å; K284-F286 WeakPolarHBondContact O-CD2 3.37Å; K284-F295 HydrophobicContact CD-CE1 4.28Å; K284-F295 HydrophobicContact CD-CE2 4.41Å; K284-F295 HydrophobicContact CD-CZ 3.8Å
285F86.6Confident84.7Confident192 Ų19269.4 Ų69.484%0.84233%0.332SS*.  trans-82.7135.7174.8-174.2-93.7000111.5
286F86.7Confident84.3Confident47 Ų4769.3 Ų69.321%0.20633%0.331CS..  trans-126.4150.5175.9-70.4-89.2000110.7T282 K284 E291 E292 F295T282-F286 HydrophobicContact CG2-CD2 4.16Å; T282-F286 HydrophobicContact CG2-CE2 3.56Å; K284-F286 HydrophobicContact CB-CD2 4.45Å; K284-F286 HydrophobicContact CB-CE2 3.67Å; K284-F286 HydrophobicContact CB-CZ 4.22Å; K284-F286 WeakPolarHBondContact O-CD2 3.37Å; F286-E291 HydrophobicContact CB-CB 4.41Å; F286-E291 HydrophobicContact CD1-CB 3.91Å; F286-E292 HydrophobicContact CB-CB 3.85Å; F286-E292 HydrophobicContact CB-CG 4.48Å; F286-E292 HydrophobicContact CD2-CB 3.78Å; F286-E292 HydrophobicContact CD2-CG 3.61Å; F286-E292 HydrophobicContact CE2-CG 4.15Å; F286-E292 HydrophobicContact CG-CB 3.8Å; F286-E292 HydrophobicContact CG-CG 4.17Å; F286-F295 HydrophobicContact CE1-CB 3.68Å; F286-F295 HydrophobicContact CE1-CD1 4.36Å; F286-F295 HydrophobicContact CE1-CD2 4.24Å; F286-F295 AromaticContact CE1-CG 3.85Å; F286-F295 HydrophobicContact CE1-CG 3.85Å; F286-F295 HydrophobicContact CE2-CB 4.39Å; F286-F295 AromaticContact CE2-CD1 3.79Å; F286-F295 HydrophobicContact CE2-CD1 3.79Å; F286-F295 HydrophobicContact CE2-CE1 4.27Å; F286-F295 HydrophobicContact CE2-CG 4.12Å; F286-F295 HydrophobicContact CZ-CB 3.54Å; F286-F295 AromaticContact CZ-CD1 3.37Å; F286-F295 HydrophobicContact CZ-CD1 3.37Å; F286-F295 AromaticContact CZ-CD2 3.77Å; F286-F295 HydrophobicContact CZ-CD2 3.77Å; F286-F295 AromaticContact CZ-CE1 3.95Å; F286-F295 HydrophobicContact CZ-CE1 3.95Å; F286-F295 HydrophobicContact CZ-CE2 4.3Å; F286-F295 AromaticContact CZ-CG 3.26Å; F286-F295 HydrophobicContact CZ-CG 3.26Å; F286-F295 HydrophobicContact CZ-CZ 4.38Å
287K83.1Confident84Confident188 Ų18870.2 Ų70.282%0.81734%0.34SS*.SBendtrans-73.6-31.2-179.3-67-179.1-179.6176.90112.3E291K287-E291 PolarHBondContact N-OE2 3.38Å
288S85Confident83.6Confident46 Ų4672.7 Ų72.732%0.32236%0.362SS..SBendtrans-136.3152.5179.8740000111.3Y290 E291 E292S288-Y290 PolarHBondContact O-N 3.32Å; S288-E291 PolarHBondContact O-N 3.5Å; S288-E291 WeakPolarHBondContact OG-CG 3.46Å; S288-E291 PolarHBondContact OG-N 3.1Å; S288-E292 PolarHBondContact O-N 3.06Å; S288-E292 VanDerWaalsContact O-N 3.15Å
289R83.3Confident83.9Confident74 Ų7473.8 Ų73.828%0.27936%0.359SS..Hα-helixtrans-61.6-30.4174-175.260.1-173.3146.28.1112.1L277 A278 L280 E292 V293L277-R289 PolarHBondContact O-NH2 3.46Å; A278-R289 VanDerWaalsContact C-NH2 3.28Å; A278-R289 PolarHBondContact O-NH2 2.9Å; L280-R289 VanDerWaalsContact O-CZ 3.31Å; L280-R289 PolarHBondContact O-NH1 2.71Å; L280-R289 PolarHBondContact O-NH2 3.31Å; R289-E292 WeakPolarHBondContact CD-OE2 3.3Å; R289-E292 IonicContact CZ-OE2 2.85Å; R289-E292 IonicContact NH1-OE1 3.19Å; R289-E292 PolarHBondContact NH1-OE1 3.37Å; R289-E292 IonicContact NH1-OE2 2.6Å; R289-E292 PolarHBondContact NH1-OE2 3.34Å; R289-E292 PolarHBondContact O-N 3.39Å; R289-V293 HydrophobicContact CG-CG2 4.2Å; R289-V293 VanDerWaalsContact CZ-CG2 3.44Å; R289-V293 WeakPolarHBondContact O-CB 2.81Å; R289-V293 VanDerWaalsContact O-CG2 3.25Å; R289-V293 WeakPolarHBondContact O-CG2 3.33Å; R289-V293 PolarHBondContact O-N 2.86Å
290Y74.4Confident83.9Confident185 Ų18570.8 Ų70.873%0.72534%0.344SS*.Hα-helixtrans-63.8-45.7176.5177.4-94000112.1S288 V293 S294S288-Y290 PolarHBondContact O-N 3.32Å; Y290-V293 PolarHBondContact O-N 2.77Å; Y290-S294 WeakPolarHBondContact O-CB 3.12Å; Y290-S294 PolarHBondContact O-N 2.99Å; Y290-S294 PolarHBondContact O-OG 3.1Å
291E75.2Confident83.4Confident87 Ų8776 Ų7641%0.40737%0.367SS..Hα-helixtrans-62-43.9174.8-73.6171.4-165.500111.2F286 K287 S288 S294 F295F286-E291 HydrophobicContact CB-CB 4.41Å; F286-E291 HydrophobicContact CD1-CB 3.91Å; K287-E291 PolarHBondContact N-OE2 3.38Å; S288-E291 PolarHBondContact O-N 3.5Å; S288-E291 WeakPolarHBondContact OG-CG 3.46Å; S288-E291 PolarHBondContact OG-N 3.1Å; E291-S294 PolarHBondContact O-N 3.05Å; E291-F295 WeakPolarHBondContact O-CB 3.36Å; E291-F295 PolarHBondContact O-N 3.43Å
292E82.2Confident83.1Confident22 Ų2275.3 Ų75.310%0.10337%0.368CS..Hα-helixtrans-62.3-47.1178.8-168-177-177.500111.9R281 T282 F286 S288 R289 S294 F295 L296R281-E292 WeakPolarHBondContact CA-OE1 3.26Å; R281-E292 VanDerWaalsContact CD-OE1 3.26Å; R281-E292 WeakPolarHBondContact CD-OE1 3.15Å; T282-E292 HydrophobicContact CG2-CG 4.04Å; T282-E292 PolarHBondContact N-OE1 3.47Å; F286-E292 HydrophobicContact CB-CB 3.85Å; F286-E292 HydrophobicContact CB-CG 4.48Å; F286-E292 HydrophobicContact CD2-CB 3.78Å; F286-E292 HydrophobicContact CD2-CG 3.61Å; F286-E292 HydrophobicContact CE2-CG 4.15Å; F286-E292 HydrophobicContact CG-CB 3.8Å; F286-E292 HydrophobicContact CG-CG 4.17Å; S288-E292 PolarHBondContact O-N 3.06Å; S288-E292 VanDerWaalsContact O-N 3.15Å; R289-E292 WeakPolarHBondContact CD-OE2 3.3Å; R289-E292 IonicContact CZ-OE2 2.85Å; R289-E292 IonicContact NH1-OE1 3.19Å; R289-E292 PolarHBondContact NH1-OE1 3.37Å; R289-E292 IonicContact NH1-OE2 2.6Å; R289-E292 PolarHBondContact NH1-OE2 3.34Å; R289-E292 PolarHBondContact O-N 3.39Å; E292-S294 VanDerWaalsContact C-N 3.34Å; E292-S294 PolarHBondContact O-N 3.37Å; E292-F295 PolarHBondContact O-N 3.11Å; E292-L296 HydrophobicContact CG-CD1 4.09Å; E292-L296 WeakPolarHBondContact O-CB 3.4Å; E292-L296 VanDerWaalsContact O-CG 3.26Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 2.89Å
293V79.5Confident83.2Confident41 Ų4174.8 Ų74.825%0.24837%0.365CS..Hα-helixtrans-63.6-40.5178.2170.80000111.2L277 R289 Y290 L296 A297L277-V293 HydrophobicContact CD2-CG1 3.92Å; L277-V293 HydrophobicContact CG-CG1 4.16Å; R289-V293 HydrophobicContact CG-CG2 4.2Å; R289-V293 VanDerWaalsContact CZ-CG2 3.44Å; R289-V293 WeakPolarHBondContact O-CB 2.81Å; R289-V293 VanDerWaalsContact O-CG2 3.25Å; R289-V293 WeakPolarHBondContact O-CG2 3.33Å; R289-V293 PolarHBondContact O-N 2.86Å; Y290-V293 PolarHBondContact O-N 2.77Å; V293-L296 PolarHBondContact O-N 3.35Å; V293-A297 WeakPolarHBondContact O-CB 3.38Å; V293-A297 PolarHBondContact O-N 2.96Å
294S76.1Confident83.2Confident55 Ų5569.8 Ų69.839%0.38533%0.334SS..Hα-helixtrans-63.4-42.5176.7-58.30000111.5Y290 E291 E292 A298Y290-S294 WeakPolarHBondContact O-CB 3.12Å; Y290-S294 PolarHBondContact O-N 2.99Å; Y290-S294 PolarHBondContact O-OG 3.1Å; E291-S294 PolarHBondContact O-N 3.05Å; E292-S294 VanDerWaalsContact C-N 3.34Å; E292-S294 PolarHBondContact O-N 3.37Å; S294-A298 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-N 3.16Å
295F80.6Confident83.3Confident47 Ų4771.5 Ų71.521%0.20634%0.337CS..Hα-helixtrans-62.5-46.6174.1172.9-97.2000111.9T282 K284 F286 E291 E292 A297 A298 K299T282-F295 HydrophobicContact CG2-CD1 4.08Å; T282-F295 HydrophobicContact CG2-CE1 4.08Å; K284-F295 HydrophobicContact CD-CE1 4.28Å; K284-F295 HydrophobicContact CD-CE2 4.41Å; K284-F295 HydrophobicContact CD-CZ 3.8Å; F286-F295 HydrophobicContact CE1-CB 3.68Å; F286-F295 HydrophobicContact CE1-CD1 4.36Å; F286-F295 HydrophobicContact CE1-CD2 4.24Å; F286-F295 AromaticContact CE1-CG 3.85Å; F286-F295 HydrophobicContact CE1-CG 3.85Å; F286-F295 HydrophobicContact CE2-CB 4.39Å; F286-F295 AromaticContact CE2-CD1 3.79Å; F286-F295 HydrophobicContact CE2-CD1 3.79Å; F286-F295 HydrophobicContact CE2-CE1 4.27Å; F286-F295 HydrophobicContact CE2-CG 4.12Å; F286-F295 HydrophobicContact CZ-CB 3.54Å; F286-F295 AromaticContact CZ-CD1 3.37Å; F286-F295 HydrophobicContact CZ-CD1 3.37Å; F286-F295 AromaticContact CZ-CD2 3.77Å; F286-F295 HydrophobicContact CZ-CD2 3.77Å; F286-F295 AromaticContact CZ-CE1 3.95Å; F286-F295 HydrophobicContact CZ-CE1 3.95Å; F286-F295 HydrophobicContact CZ-CE2 4.3Å; F286-F295 AromaticContact CZ-CG 3.26Å; F286-F295 HydrophobicContact CZ-CG 3.26Å; F286-F295 HydrophobicContact CZ-CZ 4.38Å; E291-F295 WeakPolarHBondContact O-CB 3.36Å; E291-F295 PolarHBondContact O-N 3.43Å; E292-F295 PolarHBondContact O-N 3.11Å; F295-A297 PolarHBondContact O-N 3.3Å; F295-A298 PolarHBondContact O-N 3.07Å; F295-K299 HydrophobicContact CD1-CG 4.21Å; F295-K299 HydrophobicContact CD2-CG 4.44Å; F295-K299 HydrophobicContact CE1-CG 3.79Å; F295-K299 HydrophobicContact CE2-CD 4.45Å; F295-K299 HydrophobicContact CE2-CG 4.04Å; F295-K299 HydrophobicContact CZ-CD 4.12Å; F295-K299 HydrophobicContact CZ-CG 3.7Å; F295-K299 WeakPolarHBondContact O-CB 3.37Å; F295-K299 WeakPolarHBondContact O-CG 3.5Å; F295-K299 PolarHBondContact O-N 3.3Å
296L83.5Confident83.6Confident0 Ų067.5 Ų67.50%032%0.321CS..Hα-helixtrans-61.8-43.1178.3-73.6169.4000111.8F257 L277 L280 T282 E292 V293 A298 K299 I300F257-L296 HydrophobicContact CB-CD2 3.68Å; F257-L296 HydrophobicContact CD2-CD2 4.33Å; F257-L296 HydrophobicContact CG-CD2 4.01Å; L277-L296 HydrophobicContact CD1-CB 4Å; L280-L296 HydrophobicContact CB-CD1 4.24Å; L280-L296 HydrophobicContact CD2-CB 4.47Å; L280-L296 HydrophobicContact CD2-CD1 4.27Å; L280-L296 HydrophobicContact CD2-CD2 3.98Å; L280-L296 HydrophobicContact CD2-CG 4.48Å; L280-L296 HydrophobicContact CG-CD1 4.02Å; L280-L296 HydrophobicContact CG-CD2 4.07Å; L280-L296 VanDerWaalsContact O-CD1 3.28Å; L280-L296 WeakPolarHBondContact O-CD1 3.23Å; T282-L296 HydrophobicContact CG2-CD2 4.08Å; T282-L296 HydrophobicContact CG2-CG 4.41Å; E292-L296 HydrophobicContact CG-CD1 4.09Å; E292-L296 WeakPolarHBondContact O-CB 3.4Å; E292-L296 VanDerWaalsContact O-CG 3.26Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 2.89Å; V293-L296 PolarHBondContact O-N 3.35Å; L296-A298 PolarHBondContact O-N 3.13Å; L296-K299 CarbonylContact O-C 3.57Å; L296-K299 PolarHBondContact O-N 2.86Å; L296-K299 VanDerWaalsContact O-N 3.16Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 2.83Å
297A79.3Confident83.9Confident28 Ų2867.5 Ų67.523%0.23132%0.324CS..Hα-helixtrans-60.9-4417700000112.1F171 V293 F295 K299 I300 K301F171-A297 HydrophobicContact CE1-CB 4.45Å; F171-A297 HydrophobicContact CZ-CB 4.2Å; V293-A297 WeakPolarHBondContact O-CB 3.38Å; V293-A297 PolarHBondContact O-N 2.96Å; F295-A297 PolarHBondContact O-N 3.3Å; A297-K299 VanDerWaalsContact C-N 3.32Å; A297-K299 PolarHBondContact O-N 3.11Å; A297-I300 PolarHBondContact O-N 3.3Å; A297-K301 PolarHBondContact O-N 2.79Å; A297-K301 VanDerWaalsContact O-N 3.12Å
298A78Confident84.3Confident62 Ų6262.2 Ų62.251%0.51230%0.304SS..Hα-helixtrans-63.2-38.7174.400000112S294 F295 L296 K301 Q302S294-A298 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-N 3.16Å; F295-A298 PolarHBondContact O-N 3.07Å; L296-A298 PolarHBondContact O-N 3.13Å; A298-K301 PolarHBondContact O-N 2.98Å; A298-Q302 PolarHBondContact O-N 3.37Å
299K89Confident84.8Confident63 Ų6360.5 Ų60.527%0.27429%0.291SS..Hα-helixtrans-69.6-35.5177.3-74.8-70.8169.8-166.70113.4F257 F295 L296 A297 K301 Q302 L303F257-K299 HydrophobicContact CD1-CB 4.3Å; F257-K299 HydrophobicContact CE1-CB 3.64Å; F257-K299 HydrophobicContact CE1-CD 4.41Å; F257-K299 HydrophobicContact CE1-CG 4.32Å; F257-K299 HydrophobicContact CE2-CB 4.25Å; F257-K299 HydrophobicContact CZ-CB 3.6Å; F295-K299 HydrophobicContact CD1-CG 4.21Å; F295-K299 HydrophobicContact CD2-CG 4.44Å; F295-K299 HydrophobicContact CE1-CG 3.79Å; F295-K299 HydrophobicContact CE2-CD 4.45Å; F295-K299 HydrophobicContact CE2-CG 4.04Å; F295-K299 HydrophobicContact CZ-CD 4.12Å; F295-K299 HydrophobicContact CZ-CG 3.7Å; F295-K299 WeakPolarHBondContact O-CB 3.37Å; F295-K299 WeakPolarHBondContact O-CG 3.5Å; F295-K299 PolarHBondContact O-N 3.3Å; L296-K299 CarbonylContact O-C 3.57Å; L296-K299 PolarHBondContact O-N 2.86Å; L296-K299 VanDerWaalsContact O-N 3.16Å; A297-K299 VanDerWaalsContact C-N 3.32Å; A297-K299 PolarHBondContact O-N 3.11Å; K299-K301 VanDerWaalsContact C-N 3.35Å; K299-Q302 WeakPolarHBondContact O-CB 3.43Å; K299-Q302 PolarHBondContact O-N 2.88Å; K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.5Å
300I87.8Confident85.3Confident0 Ų057 Ų570%028%0.278CS..Hα-helixtrans-62.4-44171.9-71.8164.9000110.3A169 F171 F257 I274 L277 L280 L296 A297 Q302 L303 A304 V311 C313A169-I300 HydrophobicContact CB-CG2 4.06Å; F171-I300 HydrophobicContact CZ-CG2 4.47Å; F257-I300 HydrophobicContact CD2-CG1 4.39Å; F257-I300 HydrophobicContact CE2-CG1 3.82Å; I274-I300 HydrophobicContact CD1-CD1 4.21Å; I274-I300 HydrophobicContact CD1-CG1 4.11Å; L277-I300 HydrophobicContact CD1-CD1 3.65Å; L280-I300 HydrophobicContact CD2-CD1 4.16Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 2.83Å; A297-I300 PolarHBondContact O-N 3.3Å; I300-Q302 VanDerWaalsContact C-N 3.31Å; I300-Q302 PolarHBondContact O-N 3.33Å; I300-L303 WeakPolarHBondContact O-CB 3.38Å; I300-L303 PolarHBondContact O-N 2.91Å; I300-A304 PolarHBondContact O-N 3.49Å; I300-V311 HydrophobicContact CG2-CB 4.27Å; I300-V311 HydrophobicContact CG2-CG1 3.74Å; I300-C313 HydrophobicContact CD1-CB 4.38Å
301K81.8Confident86.3Confident109 Ų10948.1 Ų48.147%0.47424%0.243SC..Hα-helixtrans-61.1-39.6173.7-175.3172.8-176.9168.20112.5A169 A297 A298 K299 R305A169-K301 HydrophobicContact CB-CB 4.15Å; A297-K301 PolarHBondContact O-N 2.79Å; A297-K301 VanDerWaalsContact O-N 3.12Å; A298-K301 PolarHBondContact O-N 2.98Å; K299-K301 VanDerWaalsContact C-N 3.35Å; K301-R305 PolarHBondContact O-N 3.47Å
302Q86.2Confident87.1Confident97 Ų9744 Ų4445%0.45322%0.224SC..Hα-helixtrans-64.6-42.6174.1-174.3176.510.100111.6A298 K299 I300 R305 E306A298-Q302 PolarHBondContact O-N 3.37Å; K299-Q302 WeakPolarHBondContact O-CB 3.43Å; K299-Q302 PolarHBondContact O-N 2.88Å; I300-Q302 VanDerWaalsContact C-N 3.31Å; I300-Q302 PolarHBondContact O-N 3.33Å; Q302-R305 PolarHBondContact O-N 3.39Å; Q302-E306 WeakPolarHBondContact O-CB 3.43Å; Q302-E306 PolarHBondContact O-N 3.44Å
303L92.2Very high87.4Confident3 Ų343 Ų432%0.01622%0.219CC..Hα-helixtrans-62.6-43.3178.8-177.662.7000112F257 I260 V261 M272 K299 I300 R305 E306 L307F257-L303 HydrophobicContact CE2-CD2 4.15Å; F257-L303 HydrophobicContact CZ-CB 4.2Å; F257-L303 HydrophobicContact CZ-CD2 4.21Å; I260-L303 HydrophobicContact CG2-CD2 4.42Å; V261-L303 HydrophobicContact CB-CD1 4.44Å; V261-L303 HydrophobicContact CG1-CD1 4.17Å; V261-L303 HydrophobicContact CG2-CD1 3.92Å; V261-L303 HydrophobicContact CG2-CD2 4.12Å; M272-L303 HydrophobicContact SD-CD2 4.13Å; K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.5Å; I300-L303 WeakPolarHBondContact O-CB 3.38Å; I300-L303 PolarHBondContact O-N 2.91Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 3.13Å; L303-E306 PolarHBondContact O-N 2.96Å; L303-L307 HydrophobicContact CD1-CD1 3.59Å; L303-L307 HydrophobicContact CD1-CG 3.9Å; L303-L307 HydrophobicContact CG-CD1 3.96Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 PolarHBondContact O-N 3.26Å
304A90.4Very high87.9Confident0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-56-44.7175.900000111.6S167 E168 I300 D308 I309 V311S167-A304 WeakPolarHBondContact CA-O 3.46Å; E168-A304 WeakPolarHBondContact O-CB 3.41Å; I300-A304 PolarHBondContact O-N 3.49Å; A304-D308 WeakPolarHBondContact O-CA 3.25Å; A304-D308 PolarHBondContact O-N 2.99Å; A304-I309 PolarHBondContact O-N 2.93Å; A304-I309 VanDerWaalsContact O-N 3.09Å; A304-V311 HydrophobicContact CB-CB 4.06Å; A304-V311 HydrophobicContact CB-CG2 3.61Å
305R88.6Confident88Confident155 Ų15540.3 Ų40.359%0.58520%0.201SC*.Hα-helixtrans-69.3-42.9176.8-69.9177.9172.9-171.5-6.4113.2K301 Q302 L303 L307 D308K301-R305 PolarHBondContact O-N 3.47Å; Q302-R305 PolarHBondContact O-N 3.39Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 3.13Å; R305-L307 VanDerWaalsContact C-N 3.3Å; R305-L307 PolarHBondContact O-N 2.94Å; R305-D308 PolarHBondContact O-N 3.4Å
306E92.1Very high87.6Confident108 Ų10842.2 Ų42.251%0.50521%0.21SC..Hα-helixtrans-63-38.3-179.6-177.5-177.3162.300111.8K265 Q302 L303K265-E306 WeakPolarHBondContact CE-OE1 3.49Å; K265-E306 IonicContact NZ-OE1 3.38Å; K265-E306 PolarHBondContact NZ-OE1 3.03Å; Q302-E306 WeakPolarHBondContact O-CB 3.43Å; Q302-E306 PolarHBondContact O-N 3.44Å; L303-E306 PolarHBondContact O-N 2.96Å
307L93.1Very high86.7Confident48 Ų4846 Ų4625%0.25123%0.23SC..Hα-helixtrans-91.2-6.8179.8-64.3179.8000113.5A264 K265 L303 R305 I309A264-L307 HydrophobicContact CB-CD1 3.53Å; K265-L307 HydrophobicContact CG-CD2 4.28Å; L303-L307 HydrophobicContact CD1-CD1 3.59Å; L303-L307 HydrophobicContact CD1-CG 3.9Å; L303-L307 HydrophobicContact CG-CD1 3.96Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 PolarHBondContact O-N 3.26Å; R305-L307 VanDerWaalsContact C-N 3.3Å; R305-L307 PolarHBondContact O-N 2.94Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 HydrophobicContact CB-CD1 4Å; L307-I309 HydrophobicContact CB-CG1 3.79Å; L307-I309 HydrophobicContact CD1-CD1 3.98Å; L307-I309 WeakPolarHBondContact O-CG2 3.42Å; L307-I309 PolarHBondContact O-N 2.85Å
308D92.1Very high85.6Confident76 Ų7650.3 Ų50.341%0.40625%0.249SC..THydrogen-bonded Turntrans48.948.8-171.3-167.241.2000113.9K166 S167 A304 R305K166-D308 WeakPolarHBondContact CB-O 3.48Å; K166-D308 WeakPolarHBondContact CB-OD1 3.35Å; K166-D308 WeakPolarHBondContact CD-O 3.04Å; K166-D308 WeakPolarHBondContact CD-OD2 3.32Å; K166-D308 WeakPolarHBondContact CG-O 3.38Å; S167-D308 PolarHBondContact OG-OD1 2.9Å; A304-D308 WeakPolarHBondContact O-CA 3.25Å; A304-D308 PolarHBondContact O-N 2.99Å; R305-D308 PolarHBondContact O-N 3.4Å
309I95.5Very high84.2Confident10 Ų1057.3 Ų57.35%0.05126%0.262CS..SBendtrans-136.5156179.362.9177.1000111.8S167 P269 D270 M272 A304 L307 V311S167-I309 PolarHBondContact N-O 3.2Å; P269-I309 HydrophobicContact CG-CD1 3.82Å; P269-I309 WeakPolarHBondContact O-CG2 3.26Å; D270-I309 WeakPolarHBondContact O-CB 3.46Å; D270-I309 WeakPolarHBondContact O-CG2 3.44Å; M272-I309 HydrophobicContact CB-CD1 4.14Å; A304-I309 PolarHBondContact O-N 2.93Å; A304-I309 VanDerWaalsContact O-N 3.09Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 HydrophobicContact CB-CD1 4Å; L307-I309 HydrophobicContact CB-CG1 3.79Å; L307-I309 HydrophobicContact CD1-CD1 3.98Å; L307-I309 WeakPolarHBondContact O-CG2 3.42Å; L307-I309 PolarHBondContact O-N 2.85Å; I309-V311 HydrophobicContact CG1-CG2 4.2Å
310P94Very high81.8Confident0 Ų056.9 Ų56.90%028%0.275CS..  trans-66.9134.3166.5-7.522.2000110.6I150 F164 R165 E168 D270 I271 M272I150-P310 HydrophobicContact CD1-CG 3.91Å; I150-P310 HydrophobicContact CG1-CG 4.23Å; F164-P310 HydrophobicContact CB-CB 3.8Å; F164-P310 HydrophobicContact CB-CG 4.02Å; R165-P310 WeakPolarHBondContact O-CG 3.25Å; E168-P310 WeakPolarHBondContact O-CA 3.45Å; D270-P310 WeakPolarHBondContact O-CD 3.37Å; I271-P310 HydrophobicContact CD1-CB 4.1Å; I271-P310 HydrophobicContact CD1-CG 4.29Å; I271-P310 HydrophobicContact CG1-CB 4.08Å; I271-P310 HydrophobicContact CG1-CG 4.32Å; I271-P310 WeakPolarHBondContact CG1-O 3.37Å; M272-P310 PolarHBondContact N-O 3.46Å; M272-P310 VanDerWaalsContact N-O 3.08Å
311V94.7Very high79.5Confident0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-118.4109.1172.6-176.40000109.3E168 A169 V170 M272 I274 I300 A304 I309E168-V311 PolarHBondContact O-N 3.24Å; A169-V311 CarbonylContact C-O 3.59Å; A169-V311 WeakPolarHBondContact CA-O 3.17Å; V170-V311 PolarHBondContact N-O 2.91Å; M272-V311 HydrophobicContact CB-CG1 4.42Å; M272-V311 HydrophobicContact CB-CG2 4.36Å; M272-V311 HydrophobicContact CG-CG1 4.22Å; M272-V311 HydrophobicContact SD-CG1 4.2Å; I274-V311 HydrophobicContact CD1-CG1 3.88Å; I274-V311 HydrophobicContact CG1-CG1 4.36Å; I300-V311 HydrophobicContact CG2-CB 4.27Å; I300-V311 HydrophobicContact CG2-CG1 3.74Å; A304-V311 HydrophobicContact CB-CB 4.06Å; A304-V311 HydrophobicContact CB-CG2 3.61Å; I309-V311 HydrophobicContact CG1-CG2 4.2Å
312V92.8Very high77.3Confident1 Ų159.6 Ų59.61%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-92.1117.3-179.5-1740000109.5F164 V170 I172 I271 M272 F273 I274F164-V312 HydrophobicContact CD2-CG2 3.78Å; F164-V312 HydrophobicContact CE2-CG2 3.6Å; V170-V312 HydrophobicContact CB-CG2 4.28Å; V170-V312 CarbonylContact O-C 3.47Å; V170-V312 WeakPolarHBondContact O-CA 3.34Å; I172-V312 HydrophobicContact CD1-CG1 3.42Å; I172-V312 VanDerWaalsContact CD1-CG1 3.42Å; I172-V312 HydrophobicContact CG1-CG1 3.97Å; I271-V312 HydrophobicContact CD1-CG2 4.14Å; I271-V312 HydrophobicContact CG1-CG2 4.49Å; M272-V312 PolarHBondContact O-N 2.75Å; F273-V312 CarbonylContact C-O 3.18Å; F273-V312 VanDerWaalsContact CA-O 3.25Å; F273-V312 WeakPolarHBondContact CA-O 3.45Å; F273-V312 HydrophobicContact CD1-CB 3.63Å; F273-V312 HydrophobicContact CD1-CG1 3.79Å; F273-V312 HydrophobicContact CD1-CG2 4.22Å; F273-V312 HydrophobicContact CE1-CB 3.8Å; F273-V312 HydrophobicContact CE1-CG1 3.84Å; F273-V312 HydrophobicContact CE1-CG2 3.92Å; F273-V312 HydrophobicContact CG-CB 4.25Å; F273-V312 HydrophobicContact CZ-CG2 4.25Å; I274-V312 PolarHBondContact N-O 2.77Å
313C89Confident74.9Confident0 Ų062 Ų620%031%0.314CS..EExtended strand (participates in β ladder)trans-118.2125.9-178.4-168.70000111.3V170 F171 I172 I274 I300V170-C313 PolarHBondContact O-N 3.49Å; F171-C313 CarbonylContact C-O 3.6Å; F171-C313 VanDerWaalsContact CA-O 3.32Å; F171-C313 WeakPolarHBondContact CA-O 3.11Å; F171-C313 HydrophobicContact CD1-CB 3.85Å; F171-C313 HydrophobicContact CE1-CB 3.9Å; I172-C313 PolarHBondContact N-O 2.88Å; I274-C313 HydrophobicContact CB-CB 4.45Å; I300-C313 HydrophobicContact CD1-CB 4.38Å
314L88.8Confident71.9Confident2 Ų271.2 Ų71.21%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-80.4138177.3-67.4167.7000110.7I172 K180 S184 I274 D275 H276 L277I172-L314 HydrophobicContact CB-CD2 3.62Å; I172-L314 HydrophobicContact CD1-CD2 4.4Å; I172-L314 HydrophobicContact CG2-CD2 3.68Å; I172-L314 WeakPolarHBondContact O-CA 3.49Å; K180-L314 HydrophobicContact CB-CD2 3.99Å; S184-L314 WeakPolarHBondContact OG-CD1 3.42Å; I274-L314 PolarHBondContact O-N 3.4Å; D275-L314 HydrophobicContact CB-CD1 3.63Å; D275-L314 VanDerWaalsContact OD1-CD1 3.25Å; D275-L314 WeakPolarHBondContact OD1-CD1 3.29Å; D275-L314 WeakPolarHBondContact OD2-CD1 3.46Å; H276-L314 HydrophobicContact CB-CB 3.85Å; H276-L314 WeakPolarHBondContact CB-O 3.2Å; L277-L314 WeakPolarHBondContact CB-O 3.49Å; L277-L314 PolarHBondContact N-O 2.85Å
315V77.9Confident69Low38 Ų3879 Ų7923%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-126.9132.2-179.1-174.80000109.7F171 I172 G173 G174 K180 L277F171-V315 HydrophobicContact CB-CG2 4.2Å; F171-V315 HydrophobicContact CD1-CG2 3.73Å; F171-V315 HydrophobicContact CG-CG2 4.42Å; I172-V315 PolarHBondContact O-N 3.26Å; G173-V315 WeakPolarHBondContact CA-O 3.41Å; G174-V315 PolarHBondContact N-O 3.04Å; G174-V315 VanDerWaalsContact N-O 3.07Å; K180-V315 WeakPolarHBondContact CD-O 3.26Å; L277-V315 HydrophobicContact CB-CG2 4.36Å; L277-V315 HydrophobicContact CD2-CG2 4.08Å
316Q72.6Confident66.2Low87 Ų8778 Ų7841%0.40740%0.396SS..EExtended strand (participates in β ladder)trans-86.2124.8171.2-171.6175.62.200109.4
317L64.7Low63.1Low78 Ų7881.4 Ų81.441%0.40841%0.409SS..PPolyproline II helixtrans-77.7139.7175.7-60.2176.5000110.3G174 R319G174-L317 PolarHBondContact O-N 3.07Å; G174-L317 VanDerWaalsContact O-N 3.15Å; L317-R319 PolarHBondContact O-N 3.31Å
318N57.3Low60Low119 Ų11982.4 Ų82.464%0.63642%0.424SS*.PPolyproline II helixtrans-67.4130.6175.2-77.9-26.8000110.2G320 N321N318-G320 PolarHBondContact O-N 2.92Å; N318-G320 VanDerWaalsContact O-N 3.07Å; N318-N321 WeakPolarHBondContact O-CB 3.39Å; N318-N321 PolarHBondContact O-N 2.96Å
319R48.3Very low56.8Low209 Ų20984.6 Ų84.679%0.78944%0.442SS*.G310 helixtrans-54.4-29174.9-67.4-177178.9179.4-0.4112.8L317 N321 V322L317-R319 PolarHBondContact O-N 3.31Å; R319-N321 VanDerWaalsContact C-N 3.29Å; R319-N321 PolarHBondContact O-N 3.37Å; R319-V322 WeakPolarHBondContact O-CB 3.42Å; R319-V322 WeakPolarHBondContact O-CG2 3.44Å; R319-V322 PolarHBondContact O-N 2.88Å
320G39Very low53.6Low54 Ų5489 Ų8956%0.55747%0.466SS*.G310 helixtrans-70.1-16.8177.900000115.3N318 V322 N323N318-G320 PolarHBondContact O-N 2.92Å; N318-G320 VanDerWaalsContact O-N 3.07Å; G320-V322 VanDerWaalsContact C-N 3.26Å; G320-V322 PolarHBondContact O-N 2.82Å; G320-N323 PolarHBondContact O-N 2.82Å
321N38.2Very low50.5Low91 Ų9194.4 Ų94.449%0.48749%0.492SS..G310 helixtrans-76.8-15.2175-73.2-5.4000112.6N318 R319 N323 R324N318-N321 WeakPolarHBondContact O-CB 3.39Å; N318-N321 PolarHBondContact O-N 2.96Å; R319-N321 VanDerWaalsContact C-N 3.29Å; R319-N321 PolarHBondContact O-N 3.37Å; N321-N323 PolarHBondContact O-N 2.83Å; N321-R324 PolarHBondContact O-N 2.95Å
322V36.5Very low48Very low76 Ų7698.1 Ų98.146%0.46152%0.524SS..G310 helixtrans-69.6-21.3175.8-173.10000111.6R319 G320R319-V322 WeakPolarHBondContact O-CB 3.42Å; R319-V322 WeakPolarHBondContact O-CG2 3.44Å; R319-V322 PolarHBondContact O-N 2.88Å; G320-V322 VanDerWaalsContact C-N 3.26Å; G320-V322 PolarHBondContact O-N 2.82Å
323N34.6Very low45.4Very low147 Ų147103.9 Ų103.979%0.78655%0.554SS**G310 helixtrans-97.98179.3-73.2-8.9000114G320 N321G320-N323 PolarHBondContact O-N 2.82Å; N321-N323 PolarHBondContact O-N 2.83Å
324R29.1Very low42.6Very low197 Ų197108.8 Ų108.874%0.74358%0.579SS**SBendtrans-89113.7166.9-85.4-175.5179.7169.70.8108.3N321 V326N321-R324 PolarHBondContact O-N 2.95Å; R324-V326 PolarHBondContact O-N 3.5Å
325E29.2Very low39.8Very low163 Ų163119 Ų11976%0.76262%0.618SS**  trans-51.499.8165.6-68.9-177.2175.300109.2K327E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.2Å
326V29.8Very low37.5Very low135 Ų135124.6 Ų124.682%0.81865%0.646SS**  trans-71.8100.5146.8-179.90000103.7R324 A328R324-V326 PolarHBondContact O-N 3.5Å; V326-A328 PolarHBondContact O-N 3.41Å
327K27.5Very low35.3Very low179 Ų179125.2 Ų125.278%0.77866%0.66SS**  trans-64.986.4172.4-88.8-173.6174.1-178.50108.9E325E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.2Å
328A28.6Very low33.6Very low69 Ų69124.8 Ų124.857%0.5767%0.674SS**  trans-69140.7150.400000108V326 N330V326-A328 PolarHBondContact O-N 3.41Å; A328-N330 PolarHBondContact O-N 2.81Å
329P25.7Very low32.1Very low121 Ų121128.5 Ų128.579%0.78669%0.688SS**  trans-55.2128.7175.222.9-30.6000108.8
330N28.4Very low31.2Very low104 Ų104124.5 Ų124.556%0.55669%0.687SS**  trans-112.5155.8-169.165.59.7000111.1A328 A332 D333A328-N330 PolarHBondContact O-N 2.81Å; N330-A332 PolarHBondContact O-N 3.12Å; N330-D333 PolarHBondContact N-OD2 3.16Å; N330-D333 WeakPolarHBondContact O-CA 3.39Å; N330-D333 WeakPolarHBondContact O-CB 3.4Å; N330-D333 PolarHBondContact O-N 3.43Å
331M27.1Very low30.7Very low112 Ų112127.4 Ų127.455%0.55269%0.694SS**G310 helixtrans-62.55.2-173-64.1-93.8-52.700115.6I334 R335M331-I334 HydrophobicContact CB-CB 3.88Å; M331-I334 HydrophobicContact CB-CG1 4.42Å; M331-I334 HydrophobicContact CE-CB 3.67Å; M331-I334 HydrophobicContact CE-CD1 4.46Å; M331-I334 HydrophobicContact CE-CG2 3.37Å; M331-I334 HydrophobicContact CG-CB 4.1Å; M331-I334 HydrophobicContact CG-CD1 3.94Å; M331-I334 HydrophobicContact CG-CG1 4.36Å; M331-I334 CarbonylContact O-C 3.49Å; M331-I334 WeakPolarHBondContact O-CA 3.41Å; M331-I334 PolarHBondContact O-N 3.07Å; M331-I334 VanDerWaalsContact O-O 3.13Å; M331-I334 HydrophobicContact SD-CB 3.41Å; M331-I334 WeakPolarHBondContact SD-CB 3.49Å; M331-I334 HydrophobicContact SD-CD1 3.12Å; M331-I334 WeakPolarHBondContact SD-CD1 3.46Å; M331-I334 HydrophobicContact SD-CG1 3.72Å; M331-I334 HydrophobicContact SD-CG2 3.52Å; M331-I334 VanDerWaalsContact SD-CG2 3.52Å; M331-R335 PolarHBondContact O-N 3.31Å; M331-R335 VanDerWaalsContact O-N 3.15Å
332A43.1Very low30.9Very low79 Ų79130.9 Ų130.965%0.65371%0.707SS**G310 helixtrans-68-23.8157.200000111.2N330N330-A332 PolarHBondContact O-N 3.12Å
333D38.7Very low31.5Very low122 Ų122134 Ų13465%0.65272%0.716SS**G310 helixtrans-74.9-1.2160.2-56.1-43.6000112.7N330N330-D333 PolarHBondContact N-OD2 3.16Å; N330-D333 WeakPolarHBondContact O-CA 3.39Å; N330-D333 WeakPolarHBondContact O-CB 3.4Å; N330-D333 PolarHBondContact O-N 3.43Å
334I29.1Very low32.6Very low102 Ų102129.4 Ų129.452%0.52369%0.692SS.*G310 helixtrans-13643.2178.4-47.4173.9000109M331 D336M331-I334 HydrophobicContact CB-CB 3.88Å; M331-I334 HydrophobicContact CB-CG1 4.42Å; M331-I334 HydrophobicContact CE-CB 3.67Å; M331-I334 HydrophobicContact CE-CD1 4.46Å; M331-I334 HydrophobicContact CE-CG2 3.37Å; M331-I334 HydrophobicContact CG-CB 4.1Å; M331-I334 HydrophobicContact CG-CD1 3.94Å; M331-I334 HydrophobicContact CG-CG1 4.36Å; M331-I334 CarbonylContact O-C 3.49Å; M331-I334 WeakPolarHBondContact O-CA 3.41Å; M331-I334 PolarHBondContact O-N 3.07Å; M331-I334 VanDerWaalsContact O-O 3.13Å; M331-I334 HydrophobicContact SD-CB 3.41Å; M331-I334 WeakPolarHBondContact SD-CB 3.49Å; M331-I334 HydrophobicContact SD-CD1 3.12Å; M331-I334 WeakPolarHBondContact SD-CD1 3.46Å; M331-I334 HydrophobicContact SD-CG1 3.72Å; M331-I334 HydrophobicContact SD-CG2 3.52Å; M331-I334 VanDerWaalsContact SD-CG2 3.52Å; I334-D336 VanDerWaalsContact C-N 3.33Å; I334-D336 PolarHBondContact O-N 2.79Å
335R31Very low34.2Very low218 Ų218126.6 Ų126.682%0.82368%0.682SS**THydrogen-bonded Turntrans-51.4-12.1-163.1179.9171.3162.5-178.2-4.8120.1M331M331-R335 PolarHBondContact O-N 3.31Å; M331-R335 VanDerWaalsContact O-N 3.15Å
336D28.1Very low35.9Very low155 Ų155119.9 Ų119.983%0.82965%0.651SS**THydrogen-bonded Turntrans-115.88.2-151.4-103.3-16000119.3I334I334-D336 VanDerWaalsContact C-N 3.33Å; I334-D336 PolarHBondContact O-N 2.79Å
337S28.4Very low37.9Very low99 Ų99117 Ų11769%0.69263%0.629SS**  trans-111.1102.6-178.962.60000113.8
338G27.8Very low39.7Very low69 Ų69109.3 Ų109.371%0.71160%0.597SS**  trans-61.4148.3169.700000114.5
339Q26.4Very low41.7Very low197 Ų197110.8 Ų110.892%0.92159%0.592SS**  trans12.5107.7161.3-56.2-155.96.300118.6
340T28.6Very low43.6Very low126 Ų126108.4 Ų108.477%0.77357%0.572SS**  trans-154140.5146.8-32.30000108.2Q342T340-Q342 PolarHBondContact O-N 3.45Å
341V30Very low45.6Very low114 Ų114107 Ų10769%0.69157%0.567SS**  trans9.6106.1167.7-174.60000115.3H343V341-H343 PolarHBondContact O-CD2 2.91Å; V341-H343 PolarHBondContact O-N 2.78Å
342Q40.8Very low47.2Very low165 Ų165104.8 Ų104.877%0.77156%0.555SS**  trans-7398.8-179.1-80.3-177.4-23.300110.9T340 N344T340-Q342 PolarHBondContact O-N 3.45Å; Q342-N344 VanDerWaalsContact C-N 3.27Å; Q342-N344 PolarHBondContact O-N 3.29Å
343H49.7Very low47.5Very low141 Ų141108.8 Ų108.865%0.65356%0.564SS**  trans-65.890.4157.8-63.5-84.8000107.7V341V341-H343 PolarHBondContact O-CD2 2.91Å; V341-H343 PolarHBondContact O-N 2.78Å
344N57.2Low47.6Very low50 Ų50111.3 Ų111.327%0.26757%0.572SS.*EExtended strand (participates in β ladder)trans-72.4128.4168.3-68.1-42.4000107Q342 L365Q342-N344 VanDerWaalsContact C-N 3.27Å; Q342-N344 PolarHBondContact O-N 3.29Å; N344-L365 HydrophobicContact CB-CB 4.02Å; N344-L365 HydrophobicContact CB-CD1 4.47Å; N344-L365 WeakPolarHBondContact O-CA 3.43Å; N344-L365 WeakPolarHBondContact O-CB 3.46Å; N344-L365 PolarHBondContact O-N 3.47Å
345Y63.1Low49.3Very low138 Ų138110.4 Ų110.454%0.54157%0.571SS.*EExtended strand (participates in β ladder)trans-128.1147.8172.562.8-82000109.4H347 D362 M363Y345-H347 HydrophobicContact CD2-CB 4.21Å; Y345-H347 HydrophobicContact CE2-CB 3.99Å; Y345-D362 HydrophobicContact CD2-CB 4.07Å; Y345-D362 WeakPolarHBondContact CD2-OD1 3.39Å; Y345-D362 WeakPolarHBondContact CE2-OD1 3.41Å; Y345-M363 CarbonylContact C-O 3.59Å; Y345-M363 VanDerWaalsContact CA-O 3.23Å; Y345-M363 WeakPolarHBondContact CA-O 3.49Å
346L64.2Low50.9Low23 Ų23102.4 Ų102.412%0.1256%0.557CS.*EExtended strand (participates in β ladder)trans-92.5107.4169.3176.867.7000108.1M363 L365 A382 R383L346-M363 HydrophobicContact CB-CB 4.4Å; L346-M363 PolarHBondContact N-O 3.49Å; L346-M363 PolarHBondContact O-N 2.7Å; L346-L365 HydrophobicContact CB-CD1 4.33Å; L346-L365 HydrophobicContact CB-CD2 4.48Å; L346-L365 HydrophobicContact CB-CG 4.37Å; L346-A382 HydrophobicContact CB-CB 4.45Å; L346-A382 HydrophobicContact CD2-CB 3.55Å; L346-A382 WeakPolarHBondContact CD2-O 3.26Å; L346-R383 HydrophobicContact CD1-CG 4.31Å; L346-R383 HydrophobicContact CD2-CG 4.04Å
347H72Confident52.4Low73 Ų7398.9 Ų98.934%0.33854%0.538SS..EExtended strand (participates in β ladder)trans-83.2127.9170.5-171.670.9000110.4Y345 E349 E360 S361 D362Y345-H347 HydrophobicContact CD2-CB 4.21Å; Y345-H347 HydrophobicContact CE2-CB 3.99Å; H347-E349 VanDerWaalsContact CD2-CG 3.44Å; H347-E349 WeakPolarHBondContact CD2-CG 3.46Å; H347-E349 WeakPolarHBondContact NE2-CG 3.43Å; H347-E349 IonicContact NE2-OE1 3.57Å; H347-E349 PolarHBondContact NE2-OE1 3.39Å; H347-E360 IonicContact CE1-OE2 3.73Å; H347-E360 PolarHBondContact CE1-OE2 3.04Å; H347-S361 CarbonylContact C-O 3.53Å; H347-S361 WeakPolarHBondContact CA-O 3.34Å; H347-D362 IonicContact CE1-OD1 2.74Å; H347-D362 IonicContact CG-OD1 3.03Å; H347-D362 IonicContact ND1-OD1 2.69Å; H347-D362 PolarHBondContact ND1-OD1 3.32Å
348T65.5Low54.4Low18 Ų1899.2 Ų99.211%0.1153%0.527CS..EExtended strand (participates in β ladder)trans-120.8112.6178.8-56.80000109.6E360 S361 S386 L387T348-E360 CarbonylContact O-C 3.59Å; T348-E360 VanDerWaalsContact O-CA 3.29Å; T348-E360 WeakPolarHBondContact O-CA 3.4Å; T348-S361 PolarHBondContact N-O 3.13Å; T348-S361 PolarHBondContact O-N 3.1Å; T348-S386 VanDerWaalsContact OG1-CB 3.26Å; T348-S386 WeakPolarHBondContact OG1-CB 3.42Å; T348-S386 PolarHBondContact OG1-OG 3.49Å; T348-L387 HydrophobicContact CG2-CD2 3.96Å; T348-L387 HydrophobicContact CG2-CG 4.47Å
349E70.9Confident56.3Low100 Ų10097.3 Ų97.347%0.46750%0.5SS..EExtended strand (participates in β ladder)trans-102.8131.2174-60.2-167.4137.600111.2H347 V351 K358 L359 E360H347-E349 VanDerWaalsContact CD2-CG 3.44Å; H347-E349 WeakPolarHBondContact CD2-CG 3.46Å; H347-E349 WeakPolarHBondContact NE2-CG 3.43Å; H347-E349 IonicContact NE2-OE1 3.57Å; H347-E349 PolarHBondContact NE2-OE1 3.39Å; E349-V351 HydrophobicContact CB-CG2 4.2Å; E349-K358 IonicContact OE1-NZ 2.86Å; E349-L359 CarbonylContact C-O 3.6Å; E349-L359 VanDerWaalsContact CA-O 3.27Å; E349-L359 WeakPolarHBondContact CA-O 3.26Å; E349-E360 HydrophobicContact CG-CG 4.2Å
350L65.4Low58.7Low71 Ų7192.1 Ų92.137%0.37248%0.476SS..EExtended strand (participates in β ladder)trans-114.9106169.5-147.1157.6000107.4K358 L359 L387 L390 L391L350-K358 CarbonylContact O-C 3.53Å; L350-K358 WeakPolarHBondContact O-CA 3.18Å; L350-L359 HydrophobicContact CB-CB 4.05Å; L350-L359 PolarHBondContact N-O 2.94Å; L350-L359 PolarHBondContact O-N 3.37Å; L350-L387 HydrophobicContact CD1-CD2 4.12Å; L350-L390 HydrophobicContact CB-CD2 3.65Å; L350-L390 HydrophobicContact CD1-CD2 3.43Å; L350-L390 VanDerWaalsContact CD1-CD2 3.43Å; L350-L390 HydrophobicContact CG-CD2 4.19Å; L350-L391 HydrophobicContact CD1-CD2 4.2Å
351V71.5Confident60.4Low74 Ų7487.3 Ų87.345%0.44845%0.448SS..EExtended strand (participates in β ladder)trans-105.6127.4-170.8-175.70000110.5E349 D357 K358E349-V351 HydrophobicContact CB-CG2 4.2Å; V351-D357 CarbonylContact C-O 3.57Å; V351-D357 WeakPolarHBondContact CA-O 3.46Å; V351-K358 HydrophobicContact CG2-CB 4.26Å
352H59.6Low62.4Low66 Ų6686.5 Ų86.531%0.30644%0.439SS..  trans-81114.6170.7-173.6-105.8000109.9E354 T355 G356 D357H352-E354 VanDerWaalsContact C-N 3.3Å; H352-E354 PolarHBondContact O-N 3.14Å; H352-T355 WeakPolarHBondContact ND1-CG2 3.38Å; H352-T355 PolarHBondContact ND1-N 3.37Å; H352-T355 PolarHBondContact ND1-OG1 3.01Å; H352-T355 PolarHBondContact O-N 3.11Å; H352-G356 WeakPolarHBondContact O-CA 3.35Å; H352-G356 PolarHBondContact O-N 3.41Å; H352-D357 HydrophobicContact CB-CB 4.42Å; H352-D357 PolarHBondContact N-O 3.01Å
353I49.9Very low63.5Low163 Ų16381.1 Ų81.184%0.83642%0.415SS*.THydrogen-bonded Turntrans-64-32.2-168.7-64.3173000112.7
354E39.7Very low64.2Low176 Ų17679.5 Ų79.582%0.82241%0.411SS*.THydrogen-bonded Turntrans-85.2-30.5-176.6-64.6-169.7165.400113.7H352H352-E354 VanDerWaalsContact C-N 3.3Å; H352-E354 PolarHBondContact O-N 3.14Å
355T66.5Low64.4Low83 Ų8378.1 Ų78.151%0.50940%0.404SS..THydrogen-bonded Turntrans-102.6-21.1-178.861.80000113.3H352 D357H352-T355 WeakPolarHBondContact ND1-CG2 3.38Å; H352-T355 PolarHBondContact ND1-N 3.37Å; H352-T355 PolarHBondContact ND1-OG1 3.01Å; H352-T355 PolarHBondContact O-N 3.11Å; T355-D357 WeakPolarHBondContact CB-OD2 3.18Å; T355-D357 PolarHBondContact O-N 3.45Å; T355-D357 WeakPolarHBondContact OG1-CB 3.41Å; T355-D357 VanDerWaalsContact OG1-CG 3.24Å; T355-D357 PolarHBondContact OG1-N 3.33Å; T355-D357 PolarHBondContact OG1-OD2 2.93Å
356G64.6Low64Low50 Ų5079.3 Ų79.352%0.51542%0.418SS..  trans77.23.2-171.300000113.9H352H352-G356 WeakPolarHBondContact O-CA 3.35Å; H352-G356 PolarHBondContact O-N 3.41Å
357D58.5Low63.6Low80 Ų8080.1 Ų80.143%0.42842%0.424SS..  trans-65.6142.3178.9-65.8-45.5000111.1V351 H352 T355V351-D357 CarbonylContact C-O 3.57Å; V351-D357 WeakPolarHBondContact CA-O 3.46Å; H352-D357 HydrophobicContact CB-CB 4.42Å; H352-D357 PolarHBondContact N-O 3.01Å; T355-D357 WeakPolarHBondContact CB-OD2 3.18Å; T355-D357 PolarHBondContact O-N 3.45Å; T355-D357 WeakPolarHBondContact OG1-CB 3.41Å; T355-D357 VanDerWaalsContact OG1-CG 3.24Å; T355-D357 PolarHBondContact OG1-N 3.33Å; T355-D357 PolarHBondContact OG1-OD2 2.93Å
358K69.9Low62.5Low106 Ų10683.4 Ų83.446%0.46145%0.449SS..EExtended strand (participates in β ladder)trans-125.1143.2-179.156.8-172.1-177.6149.40113K160 E349 L350 V351 E360K160-K358 PolarHBondContact NZ-O 2.84Å; E349-K358 IonicContact OE1-NZ 2.86Å; L350-K358 CarbonylContact O-C 3.53Å; L350-K358 WeakPolarHBondContact O-CA 3.18Å; V351-K358 HydrophobicContact CG2-CB 4.26Å; K358-E360 HydrophobicContact CD-CG 4.41Å; K358-E360 WeakPolarHBondContact CD-OE1 3.49Å; K358-E360 WeakPolarHBondContact CE-OE1 3.14Å; K358-E360 HydrophobicContact CG-CG 4.36Å; K358-E360 IonicContact NZ-OE1 2.72Å; K358-E360 PolarHBondContact NZ-OE1 3.4Å
359L69.1Low62Low29 Ų2988.9 Ų88.915%0.15247%0.472CS..EExtended strand (participates in β ladder)trans-105.8129.7161.5-86.8152.6000106.7K160 E349 L350 L390K160-L359 HydrophobicContact CD-CD1 4.03Å; K160-L359 HydrophobicContact CD-CD2 4.07Å; K160-L359 HydrophobicContact CD-CG 3.75Å; K160-L359 VanDerWaalsContact NZ-CG 3.25Å; E349-L359 CarbonylContact C-O 3.6Å; E349-L359 VanDerWaalsContact CA-O 3.27Å; E349-L359 WeakPolarHBondContact CA-O 3.26Å; L350-L359 HydrophobicContact CB-CB 4.05Å; L350-L359 PolarHBondContact N-O 2.94Å; L350-L359 PolarHBondContact O-N 3.37Å; L359-L390 HydrophobicContact CB-CD1 3.98Å; L359-L390 HydrophobicContact CB-CD2 3.91Å; L359-L390 HydrophobicContact CB-CG 4.07Å
360E74.9Confident61.2Low89 Ų8988.8 Ų88.842%0.41649%0.488SS..EExtended strand (participates in β ladder)trans-121.8141.7-178.8-61.8-179.9-165.300109H347 T348 E349 K358H347-E360 IonicContact CE1-OE2 3.73Å; H347-E360 PolarHBondContact CE1-OE2 3.04Å; T348-E360 CarbonylContact O-C 3.59Å; T348-E360 VanDerWaalsContact O-CA 3.29Å; T348-E360 WeakPolarHBondContact O-CA 3.4Å; E349-E360 HydrophobicContact CG-CG 4.2Å; K358-E360 HydrophobicContact CD-CG 4.41Å; K358-E360 WeakPolarHBondContact CD-OE1 3.49Å; K358-E360 WeakPolarHBondContact CE-OE1 3.14Å; K358-E360 HydrophobicContact CG-CG 4.36Å; K358-E360 IonicContact NZ-OE1 2.72Å; K358-E360 PolarHBondContact NZ-OE1 3.4Å
361S65.7Low61Low25 Ų2588.4 Ų88.418%0.17549%0.486CS..EExtended strand (participates in β ladder)trans-139.7134167.6-179.10000108.8H347 T348H347-S361 CarbonylContact C-O 3.53Å; H347-S361 WeakPolarHBondContact CA-O 3.34Å; T348-S361 PolarHBondContact N-O 3.13Å; T348-S361 PolarHBondContact O-N 3.1Å
362D71.2Confident60.4Low97 Ų9793.5 Ų93.552%0.51951%0.507SS..EExtended strand (participates in β ladder)trans-103.6126.9169.9-66.6-37.5000108.9Y345 H347Y345-D362 HydrophobicContact CD2-CB 4.07Å; Y345-D362 WeakPolarHBondContact CD2-OD1 3.39Å; Y345-D362 WeakPolarHBondContact CE2-OD1 3.41Å; H347-D362 IonicContact CE1-OD1 2.74Å; H347-D362 IonicContact CG-OD1 3.03Å; H347-D362 IonicContact ND1-OD1 2.69Å; H347-D362 PolarHBondContact ND1-OD1 3.32Å
363M64.5Low60.3Low51 Ų5198.5 Ų98.525%0.25153%0.531SS..EExtended strand (participates in β ladder)trans-117.2116.8173.4175-178-76.300109.1Y345 L346 L365 A382Y345-M363 CarbonylContact C-O 3.59Å; Y345-M363 VanDerWaalsContact CA-O 3.23Å; Y345-M363 WeakPolarHBondContact CA-O 3.49Å; L346-M363 HydrophobicContact CB-CB 4.4Å; L346-M363 PolarHBondContact N-O 3.49Å; L346-M363 PolarHBondContact O-N 2.7Å; M363-L365 PolarHBondContact O-N 2.97Å; M363-A382 HydrophobicContact SD-CB 3.58Å; M363-A382 VanDerWaalsContact SD-CB 3.58Å
364D64.2Low60.5Low108 Ų10894.2 Ų94.258%0.57851%0.507SS*.EExtended strand (participates in β ladder)trans-63127.7175.7-69.8-35.1000111.1
365L61.5Low61.6Low21 Ų2187.9 Ų87.911%0.1148%0.479CS..EExtended strand (participates in β ladder)trans-95.693.3173.4-64.5174.4000108.8N344 L346 M363 T367 V379 A382N344-L365 HydrophobicContact CB-CB 4.02Å; N344-L365 HydrophobicContact CB-CD1 4.47Å; N344-L365 WeakPolarHBondContact O-CA 3.43Å; N344-L365 WeakPolarHBondContact O-CB 3.46Å; N344-L365 PolarHBondContact O-N 3.47Å; L346-L365 HydrophobicContact CB-CD1 4.33Å; L346-L365 HydrophobicContact CB-CD2 4.48Å; L346-L365 HydrophobicContact CB-CG 4.37Å; M363-L365 PolarHBondContact O-N 2.97Å; L365-T367 PolarHBondContact O-N 2.99Å; L365-V379 HydrophobicContact CD1-CG2 3.8Å; L365-A382 HydrophobicContact CD2-CB 3.36Å
366L55.3Low60.9Low162 Ų16285.6 Ų85.685%0.84847%0.472SS*.  trans-80.794.7172.9-60.6174.4000109.4
367T54.2Low60.6Low41 Ų4186.7 Ų86.725%0.25247%0.472SS..  trans-99.4127.5174.256.70000110.9L365 K369 L375 A378L365-T367 PolarHBondContact O-N 2.99Å; T367-K369 VanDerWaalsContact C-N 3.33Å; T367-K369 PolarHBondContact O-N 3.2Å; T367-L375 HydrophobicContact CG2-CD2 3.96Å; T367-L375 HydrophobicContact CG2-CG 4.16Å; T367-A378 HydrophobicContact CG2-CB 3.85Å
368V49.4Very low60.4Low142 Ų14284.2 Ų84.286%0.86146%0.462SS*.SBendtrans-70-28.2180-175.60000112.2
369K55.2Low60.1Low133 Ų13380.8 Ų80.858%0.57845%0.45SS*.SBendtrans-131.8141.9171-58.6177.8178.41730110.9T367 D371 Q374T367-K369 VanDerWaalsContact C-N 3.33Å; T367-K369 PolarHBondContact O-N 3.2Å; K369-D371 PolarHBondContact O-N 2.75Å; K369-Q374 VanDerWaalsContact CB-OE1 3.32Å
370A54.6Low59.5Low98 Ų9883.5 Ų83.581%0.8147%0.468SS*.  trans-82.942179.700000112.7
371D60.6Low58.6Low62 Ų6284.1 Ų84.133%0.33247%0.467SS..  trans-93144.1171.97748.9000110.6K369 Q373 Q374 L375K369-D371 PolarHBondContact O-N 2.75Å; D371-Q373 PolarHBondContact O-N 3.39Å; D371-Q373 VanDerWaalsContact O-N 3.12Å; D371-Q373 PolarHBondContact OD1-N 3.31Å; D371-Q373 VanDerWaalsContact OD1-N 3.09Å; D371-Q374 PolarHBondContact O-N 3Å; D371-Q374 VanDerWaalsContact OD1-CB 3.32Å; D371-Q374 WeakPolarHBondContact OD1-CB 3.36Å; D371-Q374 WeakPolarHBondContact OD1-CG 3.47Å; D371-Q374 PolarHBondContact OD1-N 3.5Å; D371-L375 PolarHBondContact O-N 3.37Å
372M58.3Low58.3Low182 Ų18283.1 Ų83.190%0.89746%0.46SS*.Hα-helixtrans-61-21.3-177.5-95178.1154.300113G376M372-G376 PolarHBondContact O-N 3.49Å
373Q57.7Low57.8Low171 Ų17184 Ų8480%0.79946%0.457SS*.Hα-helixtrans-80.9-43.4-176.1-165.4167.7-1.500111.1D371 G376 S377D371-Q373 PolarHBondContact O-N 3.39Å; D371-Q373 VanDerWaalsContact O-N 3.12Å; D371-Q373 PolarHBondContact OD1-N 3.31Å; D371-Q373 VanDerWaalsContact OD1-N 3.09Å; Q373-G376 PolarHBondContact O-N 2.98Å; Q373-S377 PolarHBondContact O-N 3.06Å; Q373-S377 VanDerWaalsContact O-N 3.11Å
374Q54Low57.4Low72 Ų7285.6 Ų85.634%0.33646%0.46SS..Hα-helixtrans-69-38.2172.2-72.8-166.1-4.300111.9K369 D371 G376 S377 A378K369-Q374 VanDerWaalsContact CB-OE1 3.32Å; D371-Q374 PolarHBondContact O-N 3Å; D371-Q374 VanDerWaalsContact OD1-CB 3.32Å; D371-Q374 WeakPolarHBondContact OD1-CB 3.36Å; D371-Q374 WeakPolarHBondContact OD1-CG 3.47Å; D371-Q374 PolarHBondContact OD1-N 3.5Å; Q374-G376 VanDerWaalsContact C-N 3.26Å; Q374-G376 PolarHBondContact O-N 3.39Å; Q374-S377 PolarHBondContact O-N 2.98Å; Q374-S377 PolarHBondContact O-OG 3.44Å; Q374-A378 VanDerWaalsContact O-CB 3.3Å; Q374-A378 WeakPolarHBondContact O-CB 3.43Å; Q374-A378 PolarHBondContact O-N 2.88Å
375L62.6Low57Low43 Ų4381.6 Ų81.623%0.22544%0.436CS..Hα-helixtrans-60.3-39.4169.3-88.6156.8000111.1T367 D371 A378 V379T367-L375 HydrophobicContact CG2-CD2 3.96Å; T367-L375 HydrophobicContact CG2-CG 4.16Å; D371-L375 PolarHBondContact O-N 3.37Å; L375-A378 PolarHBondContact O-N 3.24Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.05Å; L375-V379 PolarHBondContact O-N 3.33Å
376G53.4Low57Low35 Ų3580.9 Ų80.936%0.36143%0.433SS..Hα-helixtrans-62.1-43.917700000113.8M372 Q373 Q374 T380M372-G376 PolarHBondContact O-N 3.49Å; Q373-G376 PolarHBondContact O-N 2.98Å; Q374-G376 VanDerWaalsContact C-N 3.26Å; Q374-G376 PolarHBondContact O-N 3.39Å; G376-T380 WeakPolarHBondContact O-CB 3.44Å; G376-T380 PolarHBondContact O-N 3.47Å; G376-T380 VanDerWaalsContact O-N 3.09Å; G376-T380 PolarHBondContact O-OG1 2.91Å
377S57.1Low57.4Low74 Ų7475.1 Ų75.152%0.51740%0.403SS..Hα-helixtrans-69.5-43.8175.856.90000111.9Q373 Q374 V379 T380 Y381Q373-S377 PolarHBondContact O-N 3.06Å; Q373-S377 VanDerWaalsContact O-N 3.11Å; Q374-S377 PolarHBondContact O-N 2.98Å; Q374-S377 PolarHBondContact O-OG 3.44Å; S377-V379 PolarHBondContact O-N 2.92Å; S377-T380 WeakPolarHBondContact O-CB 3.25Å; S377-T380 PolarHBondContact O-N 3.27Å; S377-T380 VanDerWaalsContact O-N 3.13Å; S377-Y381 PolarHBondContact O-N 2.75Å
378A55.5Low57.7Low27 Ų2774.2 Ų74.222%0.22340%0.397CS..Hα-helixtrans-60.2-43.517700000112.1T367 Q374 L375 T380 Y381 A382T367-A378 HydrophobicContact CG2-CB 3.85Å; Q374-A378 VanDerWaalsContact O-CB 3.3Å; Q374-A378 WeakPolarHBondContact O-CB 3.43Å; Q374-A378 PolarHBondContact O-N 2.88Å; L375-A378 PolarHBondContact O-N 3.24Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 3.16Å; A378-Y381 PolarHBondContact O-N 3.07Å; A378-A382 WeakPolarHBondContact O-CB 3.28Å; A378-A382 PolarHBondContact O-N 3.16Å
379V62.9Low57.8Low35 Ų3571.2 Ų71.221%0.21238%0.38CS..Hα-helixtrans-64.3-39.2174.6169.50000111.4L365 L375 S377 R383L365-V379 HydrophobicContact CD1-CG2 3.8Å; L375-V379 WeakPolarHBondContact O-CB 3.39Å; L375-V379 WeakPolarHBondContact O-CG2 3.05Å; L375-V379 PolarHBondContact O-N 3.33Å; S377-V379 PolarHBondContact O-N 2.92Å; V379-R383 HydrophobicContact CG1-CG 4.29Å; V379-R383 VanDerWaalsContact O-CB 3.26Å; V379-R383 WeakPolarHBondContact O-CB 3.43Å; V379-R383 WeakPolarHBondContact O-CG 3.37Å; V379-R383 PolarHBondContact O-N 2.88Å
380T56.6Low58Low86 Ų8665.6 Ų65.653%0.52836%0.356SS..Hα-helixtrans-64.7-44.7178.5-59.50000111.2G376 S377 A378 R384G376-T380 WeakPolarHBondContact O-CB 3.44Å; G376-T380 PolarHBondContact O-N 3.47Å; G376-T380 VanDerWaalsContact O-N 3.09Å; G376-T380 PolarHBondContact O-OG1 2.91Å; S377-T380 WeakPolarHBondContact O-CB 3.25Å; S377-T380 PolarHBondContact O-N 3.27Å; S377-T380 VanDerWaalsContact O-N 3.13Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 3.16Å; T380-R384 PolarHBondContact O-N 2.98Å
381Y55.4Low58.3Low101 Ų10161.3 Ų61.340%0.39632%0.32SS..Hα-helixtrans-63.5-55.2175.1-167.8-93.2000110.3S377 A378 R383 R384 Y385S377-Y381 PolarHBondContact O-N 2.75Å; A378-Y381 PolarHBondContact O-N 3.07Å; Y381-R383 PolarHBondContact O-N 3.15Å; Y381-R383 VanDerWaalsContact O-N 3.16Å; Y381-R384 WeakPolarHBondContact O-CB 3.29Å; Y381-R384 PolarHBondContact O-N 3.45Å; Y381-Y385 AromaticContact CD1-CD2 3.69Å; Y381-Y385 HydrophobicContact CD1-CD2 3.69Å; Y381-Y385 AromaticContact CD1-CE2 3.73Å; Y381-Y385 HydrophobicContact CD1-CE2 3.73Å; Y381-Y385 HydrophobicContact CD2-CD2 4.42Å; Y381-Y385 AromaticContact CD2-CE2 3.68Å; Y381-Y385 HydrophobicContact CD2-CE2 3.68Å; Y381-Y385 AromaticContact CE1-CD2 3.53Å; Y381-Y385 HydrophobicContact CE1-CD2 3.53Å; Y381-Y385 AromaticContact CE1-CE2 3.4Å; Y381-Y385 HydrophobicContact CE1-CE2 3.4Å; Y381-Y385 HydrophobicContact CE2-CD2 4.29Å; Y381-Y385 AromaticContact CE2-CE2 3.34Å; Y381-Y385 HydrophobicContact CE2-CE2 3.34Å; Y381-Y385 AromaticContact CE2-CZ 3.9Å; Y381-Y385 HydrophobicContact CG-CD2 4.14Å; Y381-Y385 AromaticContact CG-CE2 3.86Å; Y381-Y385 HydrophobicContact CG-CE2 3.86Å; Y381-Y385 AromaticContact CZ-CD2 3.85Å; Y381-Y385 AromaticContact CZ-CE2 3.19Å; Y381-Y385 AromaticContact CZ-CZ 3.69Å; Y381-Y385 WeakPolarHBondContact O-CD2 2.98Å; Y381-Y385 PolarHBondContact O-N 3.07Å
382A59.5Low57.8Low4 Ų464.8 Ų64.83%0.03334%0.339CS..Hα-helixtrans-56.5-36.3179.400000113L346 M363 L365 A378 R384 Y385 S386L346-A382 HydrophobicContact CB-CB 4.45Å; L346-A382 HydrophobicContact CD2-CB 3.55Å; L346-A382 WeakPolarHBondContact CD2-O 3.26Å; M363-A382 HydrophobicContact SD-CB 3.58Å; M363-A382 VanDerWaalsContact SD-CB 3.58Å; L365-A382 HydrophobicContact CD2-CB 3.36Å; A378-A382 WeakPolarHBondContact O-CB 3.28Å; A378-A382 PolarHBondContact O-N 3.16Å; A382-R384 PolarHBondContact O-N 3.39Å; A382-Y385 PolarHBondContact O-N 3.4Å; A382-S386 WeakPolarHBondContact O-CA 3.26Å; A382-S386 WeakPolarHBondContact O-CB 3.46Å; A382-S386 PolarHBondContact O-N 2.72Å; A382-S386 PolarHBondContact O-OG 2.9Å
383R61.1Low57.4Low117 Ų11756.8 Ų56.844%0.44230%0.299SS..Hα-helixtrans-62.5-36.9173.9-81.2174.1174.9-176.50.3113.4L346 V379 Y381 Y385 S386L346-R383 HydrophobicContact CD1-CG 4.31Å; L346-R383 HydrophobicContact CD2-CG 4.04Å; V379-R383 HydrophobicContact CG1-CG 4.29Å; V379-R383 VanDerWaalsContact O-CB 3.26Å; V379-R383 WeakPolarHBondContact O-CB 3.43Å; V379-R383 WeakPolarHBondContact O-CG 3.37Å; V379-R383 PolarHBondContact O-N 2.88Å; Y381-R383 PolarHBondContact O-N 3.15Å; Y381-R383 VanDerWaalsContact O-N 3.16Å; R383-Y385 VanDerWaalsContact C-N 3.33Å; R383-S386 PolarHBondContact O-OG 3.29Å; R383-S386 VanDerWaalsContact O-OG 3.11Å
384R56.7Low56.7Low84 Ų8455.2 Ų55.232%0.31729%0.292SS..Hα-helixtrans-61.8-43.8175-83.9175.8173.5172.5-12.3111.1G177 T380 Y381 A382 D399G177-R384 WeakPolarHBondContact O-CG 3.31Å; T380-R384 PolarHBondContact O-N 2.98Å; Y381-R384 WeakPolarHBondContact O-CB 3.29Å; Y381-R384 PolarHBondContact O-N 3.45Å; A382-R384 PolarHBondContact O-N 3.39Å; R384-D399 IonicContact CZ-OD1 2.76Å; R384-D399 VanDerWaalsContact CZ-OD1 3.25Å; R384-D399 IonicContact CZ-OD2 3.92Å; R384-D399 IonicContact NH1-OD1 2.59Å; R384-D399 PolarHBondContact NH1-OD1 2.97Å; R384-D399 IonicContact NH1-OD2 3.47Å; R384-D399 IonicContact NH2-OD1 2.89Å; R384-D399 PolarHBondContact NH2-OD1 2.82Å; R384-D399 VanDerWaalsContact NH2-OD1 3.13Å; R384-D399 IonicContact NH2-OD2 3.53Å; R384-D399 PolarHBondContact NH2-OD2 2.95Å
385Y55.6Low56.2Low23 Ų2356 Ų569%0.0930%0.301CS..Hα-helixtrans-91.5-21.8-173.1-58.9-83.5000113.6Y381 A382 R383 L387 L388 P389 T395Y381-Y385 AromaticContact CD1-CD2 3.69Å; Y381-Y385 HydrophobicContact CD1-CD2 3.69Å; Y381-Y385 AromaticContact CD1-CE2 3.73Å; Y381-Y385 HydrophobicContact CD1-CE2 3.73Å; Y381-Y385 HydrophobicContact CD2-CD2 4.42Å; Y381-Y385 AromaticContact CD2-CE2 3.68Å; Y381-Y385 HydrophobicContact CD2-CE2 3.68Å; Y381-Y385 AromaticContact CE1-CD2 3.53Å; Y381-Y385 HydrophobicContact CE1-CD2 3.53Å; Y381-Y385 AromaticContact CE1-CE2 3.4Å; Y381-Y385 HydrophobicContact CE1-CE2 3.4Å; Y381-Y385 HydrophobicContact CE2-CD2 4.29Å; Y381-Y385 AromaticContact CE2-CE2 3.34Å; Y381-Y385 HydrophobicContact CE2-CE2 3.34Å; Y381-Y385 AromaticContact CE2-CZ 3.9Å; Y381-Y385 HydrophobicContact CG-CD2 4.14Å; Y381-Y385 AromaticContact CG-CE2 3.86Å; Y381-Y385 HydrophobicContact CG-CE2 3.86Å; Y381-Y385 AromaticContact CZ-CD2 3.85Å; Y381-Y385 AromaticContact CZ-CE2 3.19Å; Y381-Y385 AromaticContact CZ-CZ 3.69Å; Y381-Y385 WeakPolarHBondContact O-CD2 2.98Å; Y381-Y385 PolarHBondContact O-N 3.07Å; A382-Y385 PolarHBondContact O-N 3.4Å; R383-Y385 VanDerWaalsContact C-N 3.33Å; Y385-L387 PolarHBondContact O-N 3.32Å; Y385-L387 VanDerWaalsContact O-N 3.11Å; Y385-L388 HydrophobicContact CD1-CD1 3.6Å; Y385-L388 HydrophobicContact CE1-CD1 4.35Å; Y385-L388 HydrophobicContact CG-CD1 4.35Å; Y385-L388 WeakPolarHBondContact O-CB 3.32Å; Y385-L388 PolarHBondContact O-N 3.41Å; Y385-P389 WeakPolarHBondContact O-CD 3.34Å; Y385-T395 HydrophobicContact CD1-CG2 3.79Å; Y385-T395 HydrophobicContact CE1-CG2 4.28Å
386S62.2Low55.5Low6 Ų656.5 Ų56.54%0.04230%0.303CS..Hα-helixtrans-58.1-29-174.358.60000115.6T348 A382 R383T348-S386 VanDerWaalsContact OG1-CB 3.26Å; T348-S386 WeakPolarHBondContact OG1-CB 3.42Å; T348-S386 PolarHBondContact OG1-OG 3.49Å; A382-S386 WeakPolarHBondContact O-CA 3.26Å; A382-S386 WeakPolarHBondContact O-CB 3.46Å; A382-S386 PolarHBondContact O-N 2.72Å; A382-S386 PolarHBondContact O-OG 2.9Å; R383-S386 PolarHBondContact O-OG 3.29Å; R383-S386 VanDerWaalsContact O-OG 3.11Å
387L63.2Low55Low42 Ų4258.8 Ų58.822%0.2231%0.307CS..Hα-helixtrans-79.1-22.4176.1-72.1166.3000112.5S178 T348 L350 Y385 L390 L391S178-L387 WeakPolarHBondContact O-CD1 3.49Å; T348-L387 HydrophobicContact CG2-CD2 3.96Å; T348-L387 HydrophobicContact CG2-CG 4.47Å; L350-L387 HydrophobicContact CD1-CD2 4.12Å; Y385-L387 PolarHBondContact O-N 3.32Å; Y385-L387 VanDerWaalsContact O-N 3.11Å; L387-L390 HydrophobicContact CD2-CD2 4.45Å; L387-L390 PolarHBondContact O-N 3.2Å; L387-L391 HydrophobicContact CB-CD1 4.35Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.34Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.44Å; L387-L391 VanDerWaalsContact O-N 3.12Å
388L59.5Low54.4Low21 Ų2160 Ų6011%0.1131%0.307CS..Hα-helixtrans-69.3-48.8-175.6-57.1171.8000111.9Y385 L390 L391 N392 I393 T395Y385-L388 HydrophobicContact CD1-CD1 3.6Å; Y385-L388 HydrophobicContact CE1-CD1 4.35Å; Y385-L388 HydrophobicContact CG-CD1 4.35Å; Y385-L388 WeakPolarHBondContact O-CB 3.32Å; Y385-L388 PolarHBondContact O-N 3.41Å; L388-L390 VanDerWaalsContact C-N 3.32Å; L388-L390 PolarHBondContact O-N 3.26Å; L388-L391 CarbonylContact O-C 3.54Å; L388-L391 PolarHBondContact O-N 3.32Å; L388-N392 WeakPolarHBondContact O-CA 3.49Å; L388-N392 PolarHBondContact O-N 3.19Å; L388-I393 HydrophobicContact CB-CB 4.3Å; L388-I393 WeakPolarHBondContact CB-O 3.45Å; L388-I393 HydrophobicContact CD2-CB 3.69Å; L388-I393 HydrophobicContact CD2-CD1 4.16Å; L388-I393 HydrophobicContact CD2-CG2 3.61Å; L388-I393 PolarHBondContact O-N 3.47Å; L388-T395 HydrophobicContact CD1-CG2 3.92Å
389P51.8Low53.8Low80 Ų8062.7 Ų62.752%0.51932%0.318SS..Hα-helixtrans-60.5-40.2172.4-21.329.8000112.6Y385 L391 N392Y385-P389 WeakPolarHBondContact O-CD 3.34Å; P389-L391 PolarHBondContact O-N 2.71Å; P389-N392 PolarHBondContact O-N 3.15Å
390L60.4Low52.8Low14 Ų1462 Ų627%0.07332%0.318CS..Hα-helixtrans-61.2-32.2-178.7-161.495.7000112.2L350 L359 L387 L388L350-L390 HydrophobicContact CB-CD2 3.65Å; L350-L390 HydrophobicContact CD1-CD2 3.43Å; L350-L390 VanDerWaalsContact CD1-CD2 3.43Å; L350-L390 HydrophobicContact CG-CD2 4.19Å; L359-L390 HydrophobicContact CB-CD1 3.98Å; L359-L390 HydrophobicContact CB-CD2 3.91Å; L359-L390 HydrophobicContact CB-CG 4.07Å; L387-L390 HydrophobicContact CD2-CD2 4.45Å; L387-L390 PolarHBondContact O-N 3.2Å; L388-L390 VanDerWaalsContact C-N 3.32Å; L388-L390 PolarHBondContact O-N 3.26Å
391L60.5Low52.2Low8 Ų862.5 Ų62.54%0.04232%0.317CS..Hα-helixtrans-107.14-176.6-58.5169.9000112.4Y154 I157 F183 L350 L387 L388 P389 I393Y154-L391 WeakPolarHBondContact CD1-O 3.32Å; Y154-L391 WeakPolarHBondContact CE1-O 3.4Å; I157-L391 HydrophobicContact CD1-CD2 3.59Å; I157-L391 HydrophobicContact CG1-CD2 4.24Å; F183-L391 HydrophobicContact CD1-CD1 4.31Å; F183-L391 HydrophobicContact CD2-CD1 3.7Å; F183-L391 HydrophobicContact CE1-CD1 4.38Å; F183-L391 HydrophobicContact CE2-CB 4.3Å; F183-L391 HydrophobicContact CE2-CD1 3.76Å; F183-L391 HydrophobicContact CE2-CD2 3.98Å; F183-L391 HydrophobicContact CE2-CG 4.23Å; F183-L391 HydrophobicContact CG-CD1 3.95Å; F183-L391 HydrophobicContact CZ-CD1 4.11Å; F183-L391 HydrophobicContact CZ-CD2 3.99Å; L350-L391 HydrophobicContact CD1-CD2 4.2Å; L387-L391 HydrophobicContact CB-CD1 4.35Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.34Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.44Å; L387-L391 VanDerWaalsContact O-N 3.12Å; L388-L391 CarbonylContact O-C 3.54Å; L388-L391 PolarHBondContact O-N 3.32Å; P389-L391 PolarHBondContact O-N 2.71Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 HydrophobicContact CB-CD1 3.61Å; L391-I393 HydrophobicContact CB-CG1 3.74Å; L391-I393 HydrophobicContact CD1-CD1 3.92Å; L391-I393 HydrophobicContact CG-CD1 4.42Å; L391-I393 PolarHBondContact O-N 3.39Å
392N49.7Very low51.5Low136 Ų13664.6 Ų64.673%0.72734%0.335SS*.THydrogen-bonded Turntrans51.743.1-175-166.459.9000113.3L388 P389L388-N392 WeakPolarHBondContact O-CA 3.49Å; L388-N392 PolarHBondContact O-N 3.19Å; P389-N392 PolarHBondContact O-N 3.15Å
393I50.6Low50.6Low14 Ų1468.6 Ų68.67%0.07237%0.368CS..PPolyproline II helixtrans-96.9132.1176.9-54.5169.4000108.2Y154 F183 L388 L391Y154-I393 HydrophobicContact CE1-CG1 4.44Å; F183-I393 HydrophobicContact CB-CD1 4.21Å; F183-I393 HydrophobicContact CD2-CD1 3.61Å; F183-I393 HydrophobicContact CE2-CD1 4.44Å; F183-I393 HydrophobicContact CG-CD1 4.32Å; L388-I393 HydrophobicContact CB-CB 4.3Å; L388-I393 WeakPolarHBondContact CB-O 3.45Å; L388-I393 HydrophobicContact CD2-CB 3.69Å; L388-I393 HydrophobicContact CD2-CD1 4.16Å; L388-I393 HydrophobicContact CD2-CG2 3.61Å; L388-I393 PolarHBondContact O-N 3.47Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 HydrophobicContact CB-CD1 3.61Å; L391-I393 HydrophobicContact CB-CG1 3.74Å; L391-I393 HydrophobicContact CD1-CD1 3.92Å; L391-I393 HydrophobicContact CG-CD1 4.42Å; L391-I393 PolarHBondContact O-N 3.39Å
394E43.1Very low49.6Very low138 Ų13866.6 Ų66.665%0.64537%0.372SS*.PPolyproline II helixtrans-72.7145.2177.7-161.4164.7-169.900110.7E396E394-E396 PolarHBondContact O-N 3.09Å
395T43.4Very low48.7Very low87 Ų8770 Ų7053%0.53439%0.391SS..PPolyproline II helixtrans-77.1123.2-176.554.90000111.3Y385 L388Y385-T395 HydrophobicContact CD1-CG2 3.79Å; Y385-T395 HydrophobicContact CE1-CG2 4.28Å; L388-T395 HydrophobicContact CD1-CG2 3.92Å
396E46.9Very low47.7Very low54 Ų5475.8 Ų75.825%0.25243%0.429SS..  trans-85.6112153.9-85.5171.7-150.100108.5K216 H217 E394 D398K216-E396 HydrophobicContact CB-CG 4.1Å; K216-E396 WeakPolarHBondContact CB-OE1 3.46Å; H217-E396 WeakPolarHBondContact CA-OE1 3.38Å; H217-E396 PolarHBondContact N-OE1 3.31Å; E394-E396 PolarHBondContact O-N 3.09Å; E396-D398 VanDerWaalsContact C-N 3.27Å; E396-D398 PolarHBondContact O-N 3.3Å
397D42.8Very low46.6Very low83 Ų8378.1 Ų78.144%0.44445%0.454SS..  trans-71.283.6170.6-173.621.8000109.2
398D44.9Very low45.4Very low99 Ų9986.1 Ų86.153%0.52949%0.49SS..  trans-112.7114.6173.4-1684.5000109.3E396E396-D398 VanDerWaalsContact C-N 3.27Å; E396-D398 PolarHBondContact O-N 3.3Å
399D43.8Very low44.6Very low84 Ų8490 Ų9045%0.44952%0.515SS..SBendtrans83.3-1.8163.789.514.4000122R384R384-D399 IonicContact CZ-OD1 2.76Å; R384-D399 VanDerWaalsContact CZ-OD1 3.25Å; R384-D399 IonicContact CZ-OD2 3.92Å; R384-D399 IonicContact NH1-OD1 2.59Å; R384-D399 PolarHBondContact NH1-OD1 2.97Å; R384-D399 IonicContact NH1-OD2 3.47Å; R384-D399 IonicContact NH2-OD1 2.89Å; R384-D399 PolarHBondContact NH2-OD1 2.82Å; R384-D399 VanDerWaalsContact NH2-OD1 3.13Å; R384-D399 IonicContact NH2-OD2 3.53Å; R384-D399 PolarHBondContact NH2-OD2 2.95Å
400G42Very low44.4Very low20 Ų2091.6 Ų91.621%0.20652%0.519CS..SBendtrans-77.6-38.4-17800000116.4
401N42.6Very low44Very low98 Ų9898.9 Ų98.952%0.52455%0.552SS.*G310 helixtrans-87.2-14.6-171.6-78.5-31.1000114.5A403 S404N401-A403 VanDerWaalsContact C-N 3.3Å; N401-A403 PolarHBondContact O-N 2.79Å; N401-S404 PolarHBondContact O-OG 3.39Å
402L41.8Very low43.8Very low144 Ų144102.7 Ų102.775%0.75458%0.576SS**G310 helixtrans-78.1-13.5176.2-83.7156.5000113.2
403A41.2Very low43.9Very low89 Ų8998.7 Ų98.774%0.73656%0.561SS**G310 helixtrans-93.2-6.7177.100000113.9N401N401-A403 VanDerWaalsContact C-N 3.3Å; N401-A403 PolarHBondContact O-N 2.79Å
404S39.7Very low44Very low74 Ų74104 Ų10452%0.51759%0.586SS.*  trans-110.21-175.644.60000115.2N401 T406N401-S404 PolarHBondContact O-OG 3.39Å; S404-T406 PolarHBondContact O-N 2.96Å
405E36.9Very low45Very low156 Ų156104.3 Ų104.373%0.72959%0.585SS**THydrogen-bonded Turntrans-74.430-178.4-74.1-172.7159.900115.2
406T34.9Very low45.8Very low145 Ų145106 Ų10689%0.8959%0.587SS**THydrogen-bonded Turntrans-133.131178.650.70000115.6S404S404-T406 PolarHBondContact O-N 2.96Å
407G38.6Very low46.2Very low54 Ų54108.3 Ų108.356%0.55760%0.601SS**SBendtrans-143125.7168.700000111.9V409G407-V409 PolarHBondContact O-N 2.72Å; G407-V409 VanDerWaalsContact O-N 3.15Å
408E38.8Very low47.1Very low210 Ų210107.1 Ų107.198%0.98160%0.602SS**  trans-47.3116.2174.5-72.2172.3146.300110.8
409V43Very low47.9Very low103 Ų103108.5 Ų108.562%0.62461%0.606SS**  trans-83127.1177.6-177.10000108.5G407 E411 E414G407-V409 PolarHBondContact O-N 2.72Å; G407-V409 VanDerWaalsContact O-N 3.15Å; V409-E411 PolarHBondContact O-N 3.38Å; V409-E414 HydrophobicContact CG1-CG 3.99Å
410D48Very low48.4Very low113 Ų113111.8 Ų111.860%0.60461%0.613SS**  trans-67.6110.2-179.7-165.6-13.2000110.5V412 A413D410-V412 PolarHBondContact O-N 3.36Å; D410-A413 PolarHBondContact O-N 3.06Å
411E50.2Low48.9Very low168 Ų168117 Ų11779%0.78563%0.63SS**Hα-helixtrans-51.5-25.5-178.1-83.4-174.6152.500113.5V409 K415V409-E411 PolarHBondContact O-N 3.38Å; E411-K415 PolarHBondContact O-N 3.41Å
412V57.1Low49.4Very low87 Ų87115.5 Ų115.553%0.52763%0.631SS.*Hα-helixtrans-71.7-37.4179.2-177.10000111.6D410 K415 Q416D410-V412 PolarHBondContact O-N 3.36Å; V412-K415 PolarHBondContact O-N 2.75Å; V412-Q416 PolarHBondContact O-N 2.92Å; V412-Q416 VanDerWaalsContact O-N 3.16Å
413A51.6Low49.7Very low52 Ų52115.5 Ų115.543%0.4363%0.627SS.*Hα-helixtrans-73-38.6-178.200000111.9D410 K415 Q416 L417D410-A413 PolarHBondContact O-N 3.06Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.42Å; A413-Q416 PolarHBondContact O-N 3.25Å; A413-L417 WeakPolarHBondContact O-CB 3.29Å; A413-L417 PolarHBondContact O-N 3.02Å
414E53.5Low49.8Very low126 Ų126117 Ų11759%0.58962%0.622SS**Hα-helixtrans-61.8-39.9173.8-82-167.2154.400111.9V409 L417 A418V409-E414 HydrophobicContact CG1-CG 3.99Å; E414-L417 PolarHBondContact O-N 3.19Å; E414-A418 WeakPolarHBondContact O-CB 3.45Å; E414-A418 PolarHBondContact O-N 3.47Å
415K64.3Low50.4Low145 Ų145118.4 Ų118.463%0.6362%0.623SS**Hα-helixtrans-68-41.9-179.8-150.4177.1-175.3-178.30112.2E411 V412 A413 A418 E419E411-K415 PolarHBondContact O-N 3.41Å; V412-K415 PolarHBondContact O-N 2.75Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.42Å; K415-A418 PolarHBondContact O-N 3.22Å; K415-E419 PolarHBondContact O-N 3.48Å
416Q59.9Low50.9Low121 Ų121114 Ų11457%0.56562%0.62SS**Hα-helixtrans-66.4-38.6174.7-75.6-179-19.200112.4V412 A413 E419 Y420V412-Q416 PolarHBondContact O-N 2.92Å; V412-Q416 VanDerWaalsContact O-N 3.16Å; A413-Q416 PolarHBondContact O-N 3.25Å; Q416-E419 PolarHBondContact O-N 3.35Å; Q416-Y420 PolarHBondContact O-N 2.74Å
417L53.7Low51.5Low104 Ų104110.8 Ų110.855%0.54561%0.608SS.*Hα-helixtrans-67.9-37176.9-161.683.3000111.8A413 E414 K421A413-L417 WeakPolarHBondContact O-CB 3.29Å; A413-L417 PolarHBondContact O-N 3.02Å; E414-L417 PolarHBondContact O-N 3.19Å; L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 WeakPolarHBondContact O-CG 3.29Å; L417-K421 PolarHBondContact O-N 3.35Å
418A62.8Low52.4Low58 Ų58112.7 Ų112.748%0.47961%0.605SS.*Hα-helixtrans-65.9-41.3174.900000112.1E414 K415 A422E414-A418 WeakPolarHBondContact O-CB 3.45Å; E414-A418 PolarHBondContact O-N 3.47Å; K415-A418 PolarHBondContact O-N 3.22Å; A418-A422 WeakPolarHBondContact O-CB 3.36Å; A418-A422 PolarHBondContact O-N 2.82Å
419E61.8Low53Low128 Ų128107 Ų10760%0.59858%0.581SS**Hα-helixtrans-63.5-46.6174.1-76.917717300111.5K415 Q416 K421 A422 E423K415-E419 PolarHBondContact O-N 3.48Å; Q416-E419 PolarHBondContact O-N 3.35Å; E419-K421 PolarHBondContact O-N 2.63Å; E419-A422 PolarHBondContact O-N 3.21Å; E419-E423 PolarHBondContact O-N 3.17Å
420Y53.2Low53.5Low153 Ų153108.5 Ų108.560%0.658%0.581SS**Hα-helixtrans-63.2-40.8176.5-104-81.7000113.1Q416 A422 E423 I424Q416-Y420 PolarHBondContact O-N 2.74Å; Y420-A422 VanDerWaalsContact C-N 3.35Å; Y420-E423 PolarHBondContact O-N 3.12Å; Y420-I424 HydrophobicContact CD1-CD1 4.23Å; Y420-I424 WeakPolarHBondContact O-CG1 3.34Å; Y420-I424 PolarHBondContact O-N 2.67Å
421K52.8Low53.9Low128 Ų128110 Ų11056%0.55758%0.583SS**Hα-helixtrans-64.5-39.1175.2-82.4-178.2175.8-179.70111.7L417 E419 E423 L425L417-K421 WeakPolarHBondContact O-CB 3.43Å; L417-K421 WeakPolarHBondContact O-CG 3.29Å; L417-K421 PolarHBondContact O-N 3.35Å; E419-K421 PolarHBondContact O-N 2.63Å; K421-E423 VanDerWaalsContact C-N 3.35Å; K421-L425 HydrophobicContact CB-CD1 4.34Å; K421-L425 WeakPolarHBondContact O-CB 3.33Å; K421-L425 VanDerWaalsContact O-CD1 3.3Å; K421-L425 WeakPolarHBondContact O-CD1 3.36Å; K421-L425 PolarHBondContact O-N 3.12Å
422A53.4Low53.8Low67 Ų67107.1 Ų107.155%0.55457%0.572SS**Hα-helixtrans-65.5-38.6176.800000112A418 E419 Y420 G426A418-A422 WeakPolarHBondContact O-CB 3.36Å; A418-A422 PolarHBondContact O-N 2.82Å; E419-A422 PolarHBondContact O-N 3.21Å; Y420-A422 VanDerWaalsContact C-N 3.35Å; A422-G426 PolarHBondContact O-N 3.29Å; A422-G426 VanDerWaalsContact O-N 3.1Å
423E48.5Very low53.6Low144 Ų144106.4 Ų106.467%0.67357%0.57SS**Hα-helixtrans-70.5-38.9179.9-147.6174.3-162.500112.4E419 Y420 K421E419-E423 PolarHBondContact O-N 3.17Å; Y420-E423 PolarHBondContact O-N 3.12Å; K421-E423 VanDerWaalsContact C-N 3.35Å
424I44.4Very low54Low122 Ų122109.8 Ų109.863%0.62658%0.575SS**Hα-helixtrans-78.7-40.6-179.6-64.7170.8000112.3Y420Y420-I424 HydrophobicContact CD1-CD1 4.23Å; Y420-I424 WeakPolarHBondContact O-CG1 3.34Å; Y420-I424 PolarHBondContact O-N 2.67Å
425L50.8Low54.2Low102 Ų102107.7 Ų107.753%0.53457%0.57SS.*Hα-helixtrans-79.7-27.6-179.5-85.6110.8000113.8K421 L429K421-L425 HydrophobicContact CB-CD1 4.34Å; K421-L425 WeakPolarHBondContact O-CB 3.33Å; K421-L425 VanDerWaalsContact O-CD1 3.3Å; K421-L425 WeakPolarHBondContact O-CD1 3.36Å; K421-L425 PolarHBondContact O-N 3.12Å; L425-L429 HydrophobicContact CB-CD1 4.44Å; L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CG-CD1 4.41Å
426G48.5Very low53.9Low65 Ų65109 Ų10967%0.6757%0.571SS**Hα-helixtrans-75-27.1-173.500000115.1A422A422-G426 PolarHBondContact O-N 3.29Å; A422-G426 VanDerWaalsContact O-N 3.1Å
427A47.3Very low54.1Low77 Ų77107.9 Ų107.964%0.63657%0.572SS**Hα-helixtrans-94-24.9-166.200000115.4
428D57.1Low54.7Low93 Ų93107.7 Ų107.750%0.49757%0.572SS.*Hα-helixtrans-117.6-23-168.5-122.5-12.7000115.5E430 K431 L432D428-E430 PolarHBondContact O-N 3.24Å; D428-K431 PolarHBondContact O-N 3.13Å; D428-L432 HydrophobicContact CB-CD1 4.39Å; D428-L432 WeakPolarHBondContact O-CG 3.25Å; D428-L432 PolarHBondContact O-N 2.92Å
429L51.2Low54.8Low92 Ų92110.2 Ų110.248%0.48258%0.577SS.*Hα-helixtrans-62.3-39.9-175.6-103.7155.3000113.2L425 K431 L432 C433L425-L429 HydrophobicContact CB-CD1 4.44Å; L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CG-CD1 4.41Å; L429-K431 PolarHBondContact O-N 3.41Å; L429-L432 PolarHBondContact O-N 3.49Å; L429-C433 WeakPolarHBondContact O-CB 3.29Å; L429-C433 PolarHBondContact O-N 2.99Å; L429-C433 PolarHBondContact O-SG 3.44Å; L429-C433 VanDerWaalsContact O-SG 3.34Å
430E53.8Low55.1Low133 Ų133109 Ų10962%0.62157%0.572SS**Hα-helixtrans-69.8-33.7-179.1-142.5-159.9146.800112.2D428 K434D428-E430 PolarHBondContact O-N 3.24Å; E430-K434 WeakPolarHBondContact O-CG 3.28Å; E430-K434 PolarHBondContact O-N 2.84Å; E430-K434 WeakPolarHBondContact OE1-CE 3.18Å; E430-K434 IonicContact OE1-NZ 2.88Å; E430-K434 PolarHBondContact OE1-NZ 2.74Å
431K56.4Low56Low146 Ų146104.2 Ų104.264%0.63556%0.561SS**Hα-helixtrans-70.1-45.7173.3-88.3-179.6178.6171.70111.1D428 L429 C433 K434 V435D428-K431 PolarHBondContact O-N 3.13Å; L429-K431 PolarHBondContact O-N 3.41Å; K431-C433 PolarHBondContact O-N 2.91Å; K431-K434 PolarHBondContact O-N 2.69Å; K431-V435 WeakPolarHBondContact O-CG2 3.47Å; K431-V435 PolarHBondContact O-N 2.87Å
432L47.5Very low57.1Low107 Ų107104.6 Ų104.656%0.5656%0.563SS**Hα-helixtrans-63.7-39.9178.7-73.6168.6000112D428 L429 V435 R436D428-L432 HydrophobicContact CB-CD1 4.39Å; D428-L432 WeakPolarHBondContact O-CG 3.25Å; D428-L432 PolarHBondContact O-N 2.92Å; L429-L432 PolarHBondContact O-N 3.49Å; L432-V435 PolarHBondContact O-N 3.36Å; L432-R436 WeakPolarHBondContact O-CB 3.36Å; L432-R436 PolarHBondContact O-N 2.91Å
433C53.3Low57.9Low71 Ų71104.2 Ų104.248%0.4856%0.56SS.*Hα-helixtrans-62.5-44.4173.7-770000112.1L429 K431 V435 R436 V437L429-C433 WeakPolarHBondContact O-CB 3.29Å; L429-C433 PolarHBondContact O-N 2.99Å; L429-C433 PolarHBondContact O-SG 3.44Å; L429-C433 VanDerWaalsContact O-SG 3.34Å; K431-C433 PolarHBondContact O-N 2.91Å; C433-V435 VanDerWaalsContact C-N 3.34Å; C433-V435 PolarHBondContact O-N 3.02Å; C433-R436 PolarHBondContact O-N 3.38Å; C433-V437 WeakPolarHBondContact O-CG2 3.3Å; C433-V437 PolarHBondContact O-N 3.25Å
434K60.6Low59.3Low123 Ų123104 Ų10454%0.53556%0.559SS.*Hα-helixtrans-63.7-37.4176.3-76171.4-173.6159.50112.3E430 K431 N438E430-K434 WeakPolarHBondContact O-CG 3.28Å; E430-K434 PolarHBondContact O-N 2.84Å; E430-K434 WeakPolarHBondContact OE1-CE 3.18Å; E430-K434 IonicContact OE1-NZ 2.88Å; E430-K434 PolarHBondContact OE1-NZ 2.74Å; K431-K434 PolarHBondContact O-N 2.69Å; K434-N438 WeakPolarHBondContact O-CB 3.3Å; K434-N438 PolarHBondContact O-N 3.2Å; K434-N438 VanDerWaalsContact O-N 3.15Å
435V57.7Low61.1Low82 Ų82101.1 Ų101.150%0.49755%0.553SS.*Hα-helixtrans-67.2-44.4175.1173.50000111K431 L432 C433 V437 N438 L439K431-V435 WeakPolarHBondContact O-CG2 3.47Å; K431-V435 PolarHBondContact O-N 2.87Å; L432-V435 PolarHBondContact O-N 3.36Å; C433-V435 VanDerWaalsContact C-N 3.34Å; C433-V435 PolarHBondContact O-N 3.02Å; V435-V437 PolarHBondContact O-N 3Å; V435-N438 PolarHBondContact O-N 3.45Å; V435-L439 HydrophobicContact CG1-CD1 3.81Å; V435-L439 HydrophobicContact CG1-CG 4.36Å; V435-L439 WeakPolarHBondContact O-CG 3.17Å; V435-L439 PolarHBondContact O-N 3.24Å
436R58Low62.4Low173 Ų173101.4 Ų101.465%0.65355%0.554SS**Hα-helixtrans-63.3-41179.1-175169.5171.5169.2-4.5112.5L432 C433 L439 M440L432-R436 WeakPolarHBondContact O-CB 3.36Å; L432-R436 PolarHBondContact O-N 2.91Å; C433-R436 PolarHBondContact O-N 3.38Å; R436-L439 PolarHBondContact O-N 2.98Å; R436-M440 HydrophobicContact CG-CE 3.98Å; R436-M440 PolarHBondContact O-N 3.34Å
437V62.4Low63.9Low97 Ų97105.2 Ų105.259%0.58855%0.552SS**Hα-helixtrans-65.8-40.4175.6174.20000111.7C433 V435 M440 S441C433-V437 WeakPolarHBondContact O-CG2 3.3Å; C433-V437 PolarHBondContact O-N 3.25Å; V435-V437 PolarHBondContact O-N 3Å; V437-M440 PolarHBondContact O-N 2.69Å; V437-S441 PolarHBondContact O-N 3.03Å; V437-S441 VanDerWaalsContact O-N 3.09Å; V437-S441 PolarHBondContact O-OG 3.41Å
438N68Low65.6Low101 Ų101104.1 Ų104.154%0.5454%0.543SS..Hα-helixtrans-67.1-33.8174.9-91-32.5000113K434 V435 S441 K442K434-N438 WeakPolarHBondContact O-CB 3.3Å; K434-N438 PolarHBondContact O-N 3.2Å; K434-N438 VanDerWaalsContact O-N 3.15Å; V435-N438 PolarHBondContact O-N 3.45Å; N438-S441 WeakPolarHBondContact CA-OG 3.34Å; N438-S441 PolarHBondContact O-OG 2.97Å; N438-S441 VanDerWaalsContact O-OG 3.09Å; N438-K442 WeakPolarHBondContact O-CB 3.47Å; N438-K442 WeakPolarHBondContact O-CG 3.41Å; N438-K442 PolarHBondContact O-N 3.43Å
439L63.5Low66.8Low110 Ų110104 Ų10458%0.57654%0.539SS*.Hα-helixtrans-72.7-41.2176.2-74.7169.5000111.9V435 R436 K442 A443V435-L439 HydrophobicContact CG1-CD1 3.81Å; V435-L439 HydrophobicContact CG1-CG 4.36Å; V435-L439 WeakPolarHBondContact O-CG 3.17Å; V435-L439 PolarHBondContact O-N 3.24Å; R436-L439 PolarHBondContact O-N 2.98Å; L439-K442 PolarHBondContact O-N 3.16Å; L439-A443 WeakPolarHBondContact O-CB 3.49Å; L439-A443 PolarHBondContact O-N 2.88Å
440M68.4Low68.3Low102 Ų102106.8 Ų106.850%0.50255%0.547SS..Hα-helixtrans-64.3-45.3176.8-75.9-156.1-93.300112.2R436 V437 K442 A443 E444R436-M440 HydrophobicContact CG-CE 3.98Å; R436-M440 PolarHBondContact O-N 3.34Å; V437-M440 PolarHBondContact O-N 2.69Å; M440-K442 VanDerWaalsContact C-N 3.34Å; M440-K442 PolarHBondContact O-N 3.45Å; M440-A443 PolarHBondContact O-N 3.47Å; M440-A443 VanDerWaalsContact O-N 3.15Å; M440-E444 WeakPolarHBondContact O-CG 3.33Å; M440-E444 PolarHBondContact O-N 2.69Å
441S72.7Confident69.8Low53 Ų53105 Ų10537%0.37154%0.543SS..Hα-helixtrans-62.9-36.917653.10000113V437 N438 A445V437-S441 PolarHBondContact O-N 3.03Å; V437-S441 VanDerWaalsContact O-N 3.09Å; V437-S441 PolarHBondContact O-OG 3.41Å; N438-S441 WeakPolarHBondContact CA-OG 3.34Å; N438-S441 PolarHBondContact O-OG 2.97Å; N438-S441 VanDerWaalsContact O-OG 3.09Å; S441-A445 WeakPolarHBondContact O-CB 3.25Å; S441-A445 PolarHBondContact O-N 3.48Å
442K75.4Confident71.2Confident137 Ų137106.1 Ų106.160%0.59654%0.542SS*.Hα-helixtrans-66.3-40.9171.9-78.8-178178.4-176.80112.4N438 L439 M440 A445 I446N438-K442 WeakPolarHBondContact O-CB 3.47Å; N438-K442 WeakPolarHBondContact O-CG 3.41Å; N438-K442 PolarHBondContact O-N 3.43Å; L439-K442 PolarHBondContact O-N 3.16Å; M440-K442 VanDerWaalsContact C-N 3.34Å; M440-K442 PolarHBondContact O-N 3.45Å; K442-A445 PolarHBondContact O-N 3.45Å; K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.3Å; K442-I446 PolarHBondContact O-N 3.44Å
443A70.3Confident73Confident59 Ų59104.9 Ų104.949%0.48854%0.536SS..Hα-helixtrans-64.2-41.4177.700000111.7L439 M440 I446 K447L439-A443 WeakPolarHBondContact O-CB 3.49Å; L439-A443 PolarHBondContact O-N 2.88Å; M440-A443 PolarHBondContact O-N 3.47Å; M440-A443 VanDerWaalsContact O-N 3.15Å; A443-I446 PolarHBondContact O-N 3.42Å; A443-K447 WeakPolarHBondContact O-CB 3.09Å; A443-K447 PolarHBondContact O-N 3.42Å
444E77.9Confident74.4Confident140 Ų140104 Ų10465%0.65453%0.533SS*.Hα-helixtrans-63-43174-72.7177.3166.100112.2M440 I446 K447 A448M440-E444 WeakPolarHBondContact O-CG 3.33Å; M440-E444 PolarHBondContact O-N 2.69Å; E444-I446 PolarHBondContact O-N 2.92Å; E444-K447 PolarHBondContact O-N 3.48Å; E444-A448 WeakPolarHBondContact O-CB 3.36Å; E444-A448 PolarHBondContact O-N 3.13Å
445A81.5Confident75.7Confident60 Ų60100.9 Ų100.950%0.49653%0.531SS..Hα-helixtrans-63-41.2175.900000112.4S441 K442 A448 E449S441-A445 WeakPolarHBondContact O-CB 3.25Å; S441-A445 PolarHBondContact O-N 3.48Å; K442-A445 PolarHBondContact O-N 3.45Å; A445-A448 PolarHBondContact O-N 3.36Å; A445-E449 PolarHBondContact O-N 3.47Å
446I78.3Confident77.1Confident109 Ų109106 Ų10656%0.55954%0.541SS*.Hα-helixtrans-65.2-40.9176-70.1166.9000110.9K442 A443 E444 E449 K450K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.3Å; K442-I446 PolarHBondContact O-N 3.44Å; A443-I446 PolarHBondContact O-N 3.42Å; E444-I446 PolarHBondContact O-N 2.92Å; I446-E449 PolarHBondContact O-N 2.6Å; I446-K450 PolarHBondContact O-N 2.81Å
447K80.1Confident78.2Confident145 Ų145103.2 Ų103.263%0.6354%0.536SS*.Hα-helixtrans-62.8-47.4176.6-171.2179179.3-177.30111.3A443 E444 E449 K450 D451A443-K447 WeakPolarHBondContact O-CB 3.09Å; A443-K447 PolarHBondContact O-N 3.42Å; E444-K447 PolarHBondContact O-N 3.48Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 PolarHBondContact O-N 3.19Å; K447-K450 PolarHBondContact O-N 3.16Å; K447-D451 PolarHBondContact O-N 2.9Å
448A84Confident79.4Confident53 Ų53105.1 Ų105.144%0.43854%0.536SS..Hα-helixtrans-61.6-36.8177.800000113E444 A445 R452E444-A448 WeakPolarHBondContact O-CB 3.36Å; E444-A448 PolarHBondContact O-N 3.13Å; A445-A448 PolarHBondContact O-N 3.36Å; A448-R452 WeakPolarHBondContact O-CG 3.38Å; A448-R452 PolarHBondContact O-N 3.4Å; A448-R452 VanDerWaalsContact O-N 3.1Å
449E82.7Confident80.3Confident90 Ų90104.7 Ų104.742%0.42154%0.537SS..Hα-helixtrans-72.5-38.7176.7-167.362.7-169.700112.1A445 I446 K447 D451 R452 I453A445-E449 PolarHBondContact O-N 3.47Å; I446-E449 PolarHBondContact O-N 2.6Å; K447-E449 VanDerWaalsContact C-N 3.31Å; K447-E449 PolarHBondContact O-N 3.19Å; E449-D451 VanDerWaalsContact C-N 3.33Å; E449-D451 PolarHBondContact O-N 2.82Å; E449-R452 PolarHBondContact O-N 2.9Å; E449-R452 IonicContact OE2-NH1 3.33Å; E449-I453 HydrophobicContact CG-CD1 4.32Å; E449-I453 WeakPolarHBondContact O-CG1 3.27Å; E449-I453 PolarHBondContact O-N 3.36Å
450K81.4Confident81.3Confident151 Ų151102 Ų10266%0.65753%0.53SS*.Hα-helixtrans-58-45.3170.8-93.4-170.5171.8-173.60111.7I446 K447 R452 I453 A454I446-K450 PolarHBondContact O-N 2.81Å; K447-K450 PolarHBondContact O-N 3.16Å; K450-R452 VanDerWaalsContact C-N 3.32Å; K450-R452 PolarHBondContact O-N 3.18Å; K450-I453 PolarHBondContact O-N 3.01Å; K450-A454 PolarHBondContact O-N 2.91Å
451D85.4Confident82.1Confident97 Ų97102.9 Ų102.952%0.51953%0.533SS..Hα-helixtrans-63.8-37.6179.1-67.4-20.6000111.7K447 E449 A455K447-D451 PolarHBondContact O-N 2.9Å; E449-D451 VanDerWaalsContact C-N 3.33Å; E449-D451 PolarHBondContact O-N 2.82Å; D451-A455 WeakPolarHBondContact O-CB 3.43Å; D451-A455 PolarHBondContact O-N 3.39Å
452R86.1Confident82.8Confident168 Ų168106.9 Ų106.963%0.63454%0.544SS*.Hα-helixtrans-65.2-41.4173.3-79.6179172.9179.8-0.3113A448 E449 K450 A455 R456A448-R452 WeakPolarHBondContact O-CG 3.38Å; A448-R452 PolarHBondContact O-N 3.4Å; A448-R452 VanDerWaalsContact O-N 3.1Å; E449-R452 PolarHBondContact O-N 2.9Å; E449-R452 IonicContact OE2-NH1 3.33Å; K450-R452 VanDerWaalsContact C-N 3.32Å; K450-R452 PolarHBondContact O-N 3.18Å; R452-A455 PolarHBondContact O-N 2.7Å; R452-R456 WeakPolarHBondContact O-CG 3.35Å; R452-R456 PolarHBondContact O-N 2.76Å
453I84.9Confident83.2Confident82 Ų82105.2 Ų105.242%0.42154%0.538SS..Hα-helixtrans-64.7-46.2177.6-68.8167.3000110E449 K450 A455 R456 Q457E449-I453 HydrophobicContact CG-CD1 4.32Å; E449-I453 WeakPolarHBondContact O-CG1 3.27Å; E449-I453 PolarHBondContact O-N 3.36Å; K450-I453 PolarHBondContact O-N 3.01Å; I453-A455 VanDerWaalsContact C-N 3.33Å; I453-A455 PolarHBondContact O-N 3.07Å; I453-R456 PolarHBondContact O-N 2.67Å; I453-R456 VanDerWaalsContact O-N 3.17Å; I453-Q457 PolarHBondContact O-N 3.26Å
454A83.8Confident83.8Confident52 Ų52106.2 Ų106.243%0.4354%0.538SS..Hα-helixtrans-60.5-41.117700000112.1K450 R456 Q457 K458K450-A454 PolarHBondContact O-N 2.91Å; A454-R456 PolarHBondContact O-N 3.33Å; A454-Q457 PolarHBondContact O-N 3.41Å; A454-K458 PolarHBondContact O-N 2.98Å
455A87.3Confident84.2Confident58 Ų58106 Ų10648%0.47954%0.537SS..Hα-helixtrans-63.1-40.2175.300000112.6D451 R452 I453 K458 V459D451-A455 WeakPolarHBondContact O-CB 3.43Å; D451-A455 PolarHBondContact O-N 3.39Å; R452-A455 PolarHBondContact O-N 2.7Å; I453-A455 VanDerWaalsContact C-N 3.33Å; I453-A455 PolarHBondContact O-N 3.07Å; A455-K458 PolarHBondContact O-N 3.17Å; A455-V459 WeakPolarHBondContact O-CG2 3.04Å; A455-V459 PolarHBondContact O-N 2.79Å
456R86.4Confident84.4Confident188 Ų188111 Ų11171%0.70954%0.543SS*.Hα-helixtrans-67.3-40.7176-76.5179.6175.2174.10112.5R452 I453 A454 K458 V459 A460R452-R456 WeakPolarHBondContact O-CG 3.35Å; R452-R456 PolarHBondContact O-N 2.76Å; I453-R456 PolarHBondContact O-N 2.67Å; I453-R456 VanDerWaalsContact O-N 3.17Å; A454-R456 PolarHBondContact O-N 3.33Å; R456-K458 VanDerWaalsContact C-N 3.34Å; R456-V459 PolarHBondContact O-N 3.25Å; R456-A460 PolarHBondContact O-N 3.05Å
457Q82.6Confident84.8Confident116 Ų116111.1 Ų111.154%0.54254%0.544SS..Hα-helixtrans-59.9-45.3175.3-76.8177.8-35.800111.1I453 A454 V459 A460 E461I453-Q457 PolarHBondContact O-N 3.26Å; A454-Q457 PolarHBondContact O-N 3.41Å; Q457-V459 VanDerWaalsContact C-N 3.29Å; Q457-V459 PolarHBondContact O-N 3.41Å; Q457-A460 WeakPolarHBondContact O-CB 3.45Å; Q457-A460 PolarHBondContact O-N 3.41Å; Q457-A460 VanDerWaalsContact O-N 3.1Å; Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.09Å
458K86.6Confident85Confident136 Ų136110.4 Ų110.459%0.59155%0.547SS*.Hα-helixtrans-64.3-30.9178.8-155.4173.1-170.2172.30113.7A454 A455 R456 K462A454-K458 PolarHBondContact O-N 2.98Å; A455-K458 PolarHBondContact O-N 3.17Å; R456-K458 VanDerWaalsContact C-N 3.34Å; K458-K462 WeakPolarHBondContact O-CG 3.43Å; K458-K462 PolarHBondContact O-N 3.47Å
459V87.9Confident84.9Confident93 Ų93112.5 Ų112.556%0.56456%0.559SS**Hα-helixtrans-72.2-43.6172.3173.20000110.5A455 R456 Q457 E461 K462 E463A455-V459 WeakPolarHBondContact O-CG2 3.04Å; A455-V459 PolarHBondContact O-N 2.79Å; R456-V459 PolarHBondContact O-N 3.25Å; Q457-V459 VanDerWaalsContact C-N 3.29Å; Q457-V459 PolarHBondContact O-N 3.41Å; V459-E461 PolarHBondContact O-N 3.05Å; V459-K462 PolarHBondContact O-N 2.97Å; V459-E463 PolarHBondContact O-N 3.06Å
460A84.4Confident84.3Confident53 Ų53116.2 Ų116.244%0.43859%0.587SS.*Hα-helixtrans-62.7-41.4177.700000112.3R456 Q457 K462 E463 V464R456-A460 PolarHBondContact O-N 3.05Å; Q457-A460 WeakPolarHBondContact O-CB 3.45Å; Q457-A460 PolarHBondContact O-N 3.41Å; Q457-A460 VanDerWaalsContact O-N 3.1Å; A460-K462 PolarHBondContact O-N 3.39Å; A460-E463 PolarHBondContact O-N 3.12Å; A460-V464 WeakPolarHBondContact O-CG2 3.21Å; A460-V464 PolarHBondContact O-N 3.41Å
461E84.4Confident84.4Confident120 Ų120114.5 Ų114.556%0.56158%0.584SS**Hα-helixtrans-59.9-45175.4-74.3168.5176.200111.8Q457 V459 E463 V464 E465Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.09Å; V459-E461 PolarHBondContact O-N 3.05Å; E461-E463 VanDerWaalsContact C-N 3.34Å; E461-E463 PolarHBondContact O-N 2.95Å; E461-V464 PolarHBondContact O-N 3.43Å; E461-E465 PolarHBondContact O-N 3.13Å
462K87.2Confident84.4Confident138 Ų138115.4 Ų115.460%0.659%0.587SS**Hα-helixtrans-63.7-36.9175.4-75.8-177.7175.8-171.60113.1K458 V459 A460 R466K458-K462 WeakPolarHBondContact O-CG 3.43Å; K458-K462 PolarHBondContact O-N 3.47Å; V459-K462 PolarHBondContact O-N 2.97Å; A460-K462 PolarHBondContact O-N 3.39Å; K462-R466 WeakPolarHBondContact O-CB 3.38Å; K462-R466 PolarHBondContact O-N 3.38Å
463E84.8Confident84.3Confident102 Ų102112.4 Ų112.448%0.47759%0.585SS.*Hα-helixtrans-67.4-40.7176.6-152.186.2-163.500110.6V459 A460 E461 R466 I467V459-E463 PolarHBondContact O-N 3.06Å; A460-E463 PolarHBondContact O-N 3.12Å; E461-E463 VanDerWaalsContact C-N 3.34Å; E461-E463 PolarHBondContact O-N 2.95Å; E463-R466 PolarHBondContact O-N 2.94Å; E463-I467 HydrophobicContact CG-CD1 4.5Å; E463-I467 VanDerWaalsContact O-CG1 3.27Å; E463-I467 WeakPolarHBondContact O-CG1 3.32Å; E463-I467 PolarHBondContact O-N 2.96Å
464V83.2Confident84.2Confident80 Ų80114.2 Ų114.249%0.48559%0.594SS.*Hα-helixtrans-65.6-43.9176171.40000111.5A460 E461 R466 I467 N468A460-V464 WeakPolarHBondContact O-CG2 3.21Å; A460-V464 PolarHBondContact O-N 3.41Å; E461-V464 PolarHBondContact O-N 3.43Å; V464-R466 VanDerWaalsContact C-N 3.32Å; V464-R466 PolarHBondContact O-N 3.11Å; V464-I467 PolarHBondContact O-N 2.76Å; V464-N468 WeakPolarHBondContact O-CB 3.45Å; V464-N468 PolarHBondContact O-N 3.09Å; V464-N468 PolarHBondContact O-ND2 3.23Å
465E85Confident84.3Confident136 Ų136118.1 Ų118.164%0.63661%0.605SS**Hα-helixtrans-60-42.5173.7-77.4-179.9169.700111.7E461 N468 S469E461-E465 PolarHBondContact O-N 3.13Å; E465-N468 PolarHBondContact O-N 2.7Å; E465-S469 WeakPolarHBondContact O-CB 3.32Å; E465-S469 PolarHBondContact O-N 3.15Å; E465-S469 PolarHBondContact O-OG 2.89Å
466R87Confident84.1Confident165 Ų165122.1 Ų122.162%0.62361%0.613SS**Hα-helixtrans-63.4-45.2177.1-172.9-178.4136.6-177-7111.5K462 E463 V464 N468 S469 T470K462-R466 WeakPolarHBondContact O-CB 3.38Å; K462-R466 PolarHBondContact O-N 3.38Å; E463-R466 PolarHBondContact O-N 2.94Å; V464-R466 VanDerWaalsContact C-N 3.32Å; V464-R466 PolarHBondContact O-N 3.11Å; R466-N468 VanDerWaalsContact C-N 3.34Å; R466-N468 PolarHBondContact O-N 3.29Å; R466-S469 WeakPolarHBondContact CA-OG 3.34Å; R466-S469 PolarHBondContact O-N 3.23Å; R466-S469 PolarHBondContact O-OG 3.23Å; R466-T470 PolarHBondContact O-N 2.91Å; R466-T470 PolarHBondContact O-OG1 2.62Å
467I86.1Confident83.9Confident110 Ų110117.4 Ų117.456%0.56461%0.606SS**Hα-helixtrans-62.2-40.5176.9-69.1165.3000111.1E463 V464 S469 T470E463-I467 HydrophobicContact CG-CD1 4.5Å; E463-I467 VanDerWaalsContact O-CG1 3.27Å; E463-I467 WeakPolarHBondContact O-CG1 3.32Å; E463-I467 PolarHBondContact O-N 2.96Å; V464-I467 PolarHBondContact O-N 2.76Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 2.91Å; I467-T470 PolarHBondContact O-N 3.49Å
468N83.4Confident84Confident130 Ų130117.5 Ų117.570%0.69561%0.611SS**Hα-helixtrans-73.2-18.1178.5-70.9-24000113.6V464 E465 R466V464-N468 WeakPolarHBondContact O-CB 3.45Å; V464-N468 PolarHBondContact O-N 3.09Å; V464-N468 PolarHBondContact O-ND2 3.23Å; E465-N468 PolarHBondContact O-N 2.7Å; R466-N468 VanDerWaalsContact C-N 3.34Å; R466-N468 PolarHBondContact O-N 3.29Å
469S81.9Confident83.8Confident98 Ų98116 Ų11669%0.68561%0.613SS**THydrogen-bonded Turntrans-90-6.6176.470.40000114.7E465 R466 I467E465-S469 WeakPolarHBondContact O-CB 3.32Å; E465-S469 PolarHBondContact O-N 3.15Å; E465-S469 PolarHBondContact O-OG 2.89Å; R466-S469 WeakPolarHBondContact CA-OG 3.34Å; R466-S469 PolarHBondContact O-N 3.23Å; R466-S469 PolarHBondContact O-OG 3.23Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 2.91Å
470T70.5Confident83.4Confident167 Ų167118.1 Ų118.1100%1.02562%0.617SS**  trans-107.20178.6-33.30000109.9R466 I467R466-T470 PolarHBondContact O-N 2.91Å; R466-T470 PolarHBondContact O-OG1 2.62Å; I467-T470 PolarHBondContact O-N 3.49Å

Retrieved 470 of 470 residues in 284.5 ms (Link to these results)

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