A0A077ZH25_TRITR Loading...

Stromal 70 kDa heat shock-related protein, chloro plastic

AlphaFold DB , UniProt , Accession A0A077ZH25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,233 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
1M47.3Very low64.7Low205 Ų205100.9 Ų100.9100%1.0149%0.494SS*.  0-50.10-105.4-163.9173.700113.8L3 L4 W5M1-L3 PolarHBondContact O-N 3.3Å; M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.04Å; M1-W5 PolarHBondContact O-N 3.16Å; M1-W5 VanDerWaalsContact O-N 3.08Å
2V59.2Low65.4Low95 Ų9594.5 Ų94.558%0.57647%0.473SS*.Hα-helixtrans-46.4-51.2-176.1-179.90000113.7L4 W5 F6V2-L4 VanDerWaalsContact C-N 3.3Å; V2-L4 PolarHBondContact O-N 3.05Å; V2-W5 WeakPolarHBondContact O-CB 3.33Å; V2-W5 PolarHBondContact O-N 3.47Å; V2-W5 VanDerWaalsContact O-N 3.12Å; V2-F6 HydrophobicContact CG1-CD2 3.7Å; V2-F6 HydrophobicContact CG1-CE2 3.94Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å; V2-F6 PolarHBondContact O-N 3.03Å
3L57.3Low66.2Low140 Ų14097.2 Ų97.273%0.73348%0.481SS*.Hα-helixtrans-51.3-46.8174.1-82.4165.1000112.6M1 W5 F6 Y7M1-L3 PolarHBondContact O-N 3.3Å; L3-W5 VanDerWaalsContact C-N 3.33Å; L3-W5 PolarHBondContact O-N 2.99Å; L3-F6 PolarHBondContact O-N 3.22Å; L3-Y7 VanDerWaalsContact O-CB 3.3Å; L3-Y7 WeakPolarHBondContact O-CB 3.49Å; L3-Y7 PolarHBondContact O-N 2.92Å
4L64.5Low66.7Low110 Ų11091.1 Ų91.158%0.57645%0.451SS*.Hα-helixtrans-66.8-35.8-177.9-144.8151.2000111.5M1 V2 L8M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.04Å; V2-L4 VanDerWaalsContact C-N 3.3Å; V2-L4 PolarHBondContact O-N 3.05Å; L4-L8 HydrophobicContact CD2-CD1 3.75Å; L4-L8 HydrophobicContact CG-CD1 4.07Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 3.17Å
5W66.7Low67.1Low132 Ų13290.5 Ų90.550%0.545%0.446SS..Iπ-helixtrans-65.1-47.6173.1-121.380000111.8M1 V2 L3 I9 V10M1-W5 PolarHBondContact O-N 3.16Å; M1-W5 VanDerWaalsContact O-N 3.08Å; V2-W5 WeakPolarHBondContact O-CB 3.33Å; V2-W5 PolarHBondContact O-N 3.47Å; V2-W5 VanDerWaalsContact O-N 3.12Å; L3-W5 VanDerWaalsContact C-N 3.33Å; L3-W5 PolarHBondContact O-N 2.99Å; W5-I9 HydrophobicContact CD2-CB 4.38Å; W5-I9 HydrophobicContact CD2-CD1 4.37Å; W5-I9 HydrophobicContact CD2-CG2 4.29Å; W5-I9 HydrophobicContact CE3-CG2 4.4Å; W5-I9 HydrophobicContact CG-CB 4.49Å; W5-I9 HydrophobicContact CG-CD1 4.08Å; W5-I9 HydrophobicContact CH2-CG2 4.49Å; W5-I9 HydrophobicContact CZ2-CG2 4.37Å; W5-I9 WeakPolarHBondContact O-CA 3.29Å; W5-I9 WeakPolarHBondContact O-CB 3.26Å; W5-I9 PolarHBondContact O-N 2.89Å; W5-V10 HydrophobicContact CE3-CG2 3.74Å; W5-V10 HydrophobicContact CZ3-CG2 4.05Å; W5-V10 PolarHBondContact O-N 3.14Å
6F66Low67.7Low32 Ų3293.8 Ų93.814%0.1447%0.466CS..Iπ-helixtrans-83.9-17.8-176.4-73.7-71000115.7V2 L3 V10 P11 V33 A34 M37V2-F6 HydrophobicContact CG1-CD2 3.7Å; V2-F6 HydrophobicContact CG1-CE2 3.94Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å; V2-F6 PolarHBondContact O-N 3.03Å; L3-F6 PolarHBondContact O-N 3.22Å; F6-V10 HydrophobicContact CD1-CB 3.95Å; F6-V10 HydrophobicContact CD1-CG1 4.23Å; F6-V10 HydrophobicContact CD1-CG2 3.59Å; F6-V10 HydrophobicContact CE1-CB 4.39Å; F6-V10 HydrophobicContact CE1-CG1 4.46Å; F6-V10 HydrophobicContact CE1-CG2 3.68Å; F6-V10 HydrophobicContact CG-CG2 4.43Å; F6-P11 WeakPolarHBondContact O-CD 3.24Å; F6-P11 WeakPolarHBondContact O-CG 3.39Å; F6-V33 HydrophobicContact CE1-CG1 4.15Å; F6-A34 HydrophobicContact CB-CB 4.19Å; F6-A34 HydrophobicContact CD1-CB 3.44Å; F6-A34 VanDerWaalsContact CD1-CB 3.44Å; F6-A34 HydrophobicContact CD2-CB 3.79Å; F6-A34 HydrophobicContact CE1-CB 3.67Å; F6-A34 HydrophobicContact CE2-CB 4Å; F6-A34 HydrophobicContact CG-CB 3.51Å; F6-A34 VanDerWaalsContact CZ-CA 3.48Å; F6-A34 HydrophobicContact CZ-CB 3.96Å; F6-M37 HydrophobicContact CE1-SD 4.39Å; F6-M37 HydrophobicContact CZ-CB 4.39Å; F6-M37 HydrophobicContact CZ-SD 3.92Å
7Y66Low68.1Low161 Ų16193.4 Ų93.463%0.63147%0.469SS*.Iπ-helixtrans-93.4-18174.6-119-90.7000114.3L3L3-Y7 VanDerWaalsContact O-CB 3.3Å; L3-Y7 WeakPolarHBondContact O-CB 3.49Å; L3-Y7 PolarHBondContact O-N 2.92Å
8L68.6Low68.3Low114 Ų11494.4 Ų94.460%0.59748%0.476SS*.Iπ-helixtrans-126.8-50.2-176.8-63.9166.9000113.2L4 G12L4-L8 HydrophobicContact CD2-CD1 3.75Å; L4-L8 HydrophobicContact CG-CD1 4.07Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 3.17Å; L8-G12 PolarHBondContact O-N 3.42Å
9I72.9Confident68.4Low82 Ų8292.9 Ų92.942%0.42149%0.486SS..Iπ-helixtrans-78.8-51.3-171.8-62.6174.7000111.6W5 G12 F13W5-I9 HydrophobicContact CD2-CB 4.38Å; W5-I9 HydrophobicContact CD2-CD1 4.37Å; W5-I9 HydrophobicContact CD2-CG2 4.29Å; W5-I9 HydrophobicContact CE3-CG2 4.4Å; W5-I9 HydrophobicContact CG-CB 4.49Å; W5-I9 HydrophobicContact CG-CD1 4.08Å; W5-I9 HydrophobicContact CH2-CG2 4.49Å; W5-I9 HydrophobicContact CZ2-CG2 4.37Å; W5-I9 WeakPolarHBondContact O-CA 3.29Å; W5-I9 WeakPolarHBondContact O-CB 3.26Å; W5-I9 PolarHBondContact O-N 2.89Å; I9-G12 PolarHBondContact O-N 3.15Å; I9-F13 PolarHBondContact O-N 2.99Å
10V73.5Confident68.2Low14 Ų1490.6 Ų90.69%0.08547%0.474CS..Hα-helixtrans-63.5-43.1179.3178.70000112.2W5 F6 G12 F13 L14W5-V10 HydrophobicContact CE3-CG2 3.74Å; W5-V10 HydrophobicContact CZ3-CG2 4.05Å; W5-V10 PolarHBondContact O-N 3.14Å; F6-V10 HydrophobicContact CD1-CB 3.95Å; F6-V10 HydrophobicContact CD1-CG1 4.23Å; F6-V10 HydrophobicContact CD1-CG2 3.59Å; F6-V10 HydrophobicContact CE1-CB 4.39Å; F6-V10 HydrophobicContact CE1-CG1 4.46Å; F6-V10 HydrophobicContact CE1-CG2 3.68Å; F6-V10 HydrophobicContact CG-CG2 4.43Å; V10-G12 VanDerWaalsContact C-N 3.33Å; V10-G12 PolarHBondContact O-N 3.32Å; V10-F13 PolarHBondContact O-N 3.21Å; V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.1Å
11P70.2Confident67.9Low25 Ų2589.2 Ų89.216%0.16247%0.472CS..Hα-helixtrans-56.6-44.8171.1-28.436.3000112.9F6 F13 L14 Q15 I26 S30F6-P11 WeakPolarHBondContact O-CD 3.24Å; F6-P11 WeakPolarHBondContact O-CG 3.39Å; P11-F13 PolarHBondContact O-N 3.36Å; P11-L14 PolarHBondContact O-N 2.97Å; P11-Q15 VanDerWaalsContact O-CB 3.25Å; P11-Q15 WeakPolarHBondContact O-CB 3.29Å; P11-Q15 PolarHBondContact O-N 3.17Å; P11-I26 HydrophobicContact CB-CG2 3.68Å; P11-I26 HydrophobicContact CG-CG2 4.45Å; P11-S30 WeakPolarHBondContact CG-OG 3.24Å
12G73.2Confident68.4Low24 Ų2484.1 Ų84.125%0.24746%0.455CS..Hα-helixtrans-63.4-38.7176.800000113.1L8 I9 V10 N16L8-G12 PolarHBondContact O-N 3.42Å; I9-G12 PolarHBondContact O-N 3.15Å; V10-G12 VanDerWaalsContact C-N 3.33Å; V10-G12 PolarHBondContact O-N 3.32Å; G12-N16 VanDerWaalsContact O-CB 3.27Å; G12-N16 WeakPolarHBondContact O-CB 3.31Å; G12-N16 VanDerWaalsContact O-CG 3.26Å; G12-N16 PolarHBondContact O-N 3.02Å; G12-N16 PolarHBondContact O-ND2 2.89Å
13F74.8Confident68.5Low130 Ų13088.2 Ų88.257%0.5747%0.465SS*.Hα-helixtrans-67.8-47.7175.6-169.1-90.6000111.8I9 V10 P11 Q15 N16 V17I9-F13 PolarHBondContact O-N 2.99Å; V10-F13 PolarHBondContact O-N 3.21Å; P11-F13 PolarHBondContact O-N 3.36Å; F13-Q15 VanDerWaalsContact C-N 3.27Å; F13-Q15 PolarHBondContact O-N 3.38Å; F13-N16 PolarHBondContact O-N 3.33Å; F13-V17 HydrophobicContact CD1-CB 4.33Å; F13-V17 HydrophobicContact CD1-CG2 4.22Å; F13-V17 HydrophobicContact CD2-CG2 3.92Å; F13-V17 HydrophobicContact CE1-CB 4.12Å; F13-V17 HydrophobicContact CE1-CG1 4.2Å; F13-V17 HydrophobicContact CE1-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CG2 3.76Å; F13-V17 HydrophobicContact CG-CG2 4.16Å; F13-V17 HydrophobicContact CZ-CB 4.3Å; F13-V17 HydrophobicContact CZ-CG1 4.22Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.36Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.13Å
14L73.4Confident68.6Low12 Ų1287.3 Ų87.36%0.06346%0.461CS..Hα-helixtrans-59.3-38.2175.7-69.9176.5000112V10 P11 L18 G19 L20 I26 I29 S30V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.1Å; P11-L14 PolarHBondContact O-N 2.97Å; L14-L18 HydrophobicContact CD2-CD1 3.73Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 PolarHBondContact O-N 3.32Å; L14-L18 VanDerWaalsContact O-N 3.15Å; L14-G19 PolarHBondContact O-N 3.2Å; L14-L20 HydrophobicContact CB-CD1 4.05Å; L14-L20 HydrophobicContact CD2-CD1 4.17Å; L14-I26 HydrophobicContact CB-CG1 4.43Å; L14-I29 HydrophobicContact CD1-CB 4.02Å; L14-I29 HydrophobicContact CD1-CG2 3.66Å; L14-I29 HydrophobicContact CD2-CG2 3.91Å; L14-I29 HydrophobicContact CG-CG2 4.47Å; L14-S30 WeakPolarHBondContact CD1-OG 3.34Å
15Q73.6Confident68.6Low82 Ų8286 Ų8638%0.38345%0.454SS..Hα-helixtrans-71.1-46178.5-160.6159.751.600112.3P11 F13 G19 I26P11-Q15 VanDerWaalsContact O-CB 3.25Å; P11-Q15 WeakPolarHBondContact O-CB 3.29Å; P11-Q15 PolarHBondContact O-N 3.17Å; F13-Q15 VanDerWaalsContact C-N 3.27Å; F13-Q15 PolarHBondContact O-N 3.38Å; Q15-G19 WeakPolarHBondContact O-CA 3.25Å; Q15-G19 PolarHBondContact O-N 2.8Å; Q15-I26 HydrophobicContact CB-CD1 3.67Å; Q15-I26 HydrophobicContact CG-CD1 3.85Å
16N76Confident68.7Low142 Ų14280.3 Ų80.376%0.75943%0.433SS*.Hα-helixtrans-81.9-25.3-175.1-68.8-23.4000114.2G12 F13G12-N16 VanDerWaalsContact O-CB 3.27Å; G12-N16 WeakPolarHBondContact O-CB 3.31Å; G12-N16 VanDerWaalsContact O-CG 3.26Å; G12-N16 PolarHBondContact O-N 3.02Å; G12-N16 PolarHBondContact O-ND2 2.89Å; F13-N16 PolarHBondContact O-N 3.33Å
17V73.8Confident68.8Low87 Ų8787.2 Ų87.253%0.52746%0.459SS..Hα-helixtrans-105.8-35-175-176.70000112.7F13F13-V17 HydrophobicContact CD1-CB 4.33Å; F13-V17 HydrophobicContact CD1-CG2 4.22Å; F13-V17 HydrophobicContact CD2-CG2 3.92Å; F13-V17 HydrophobicContact CE1-CB 4.12Å; F13-V17 HydrophobicContact CE1-CG1 4.2Å; F13-V17 HydrophobicContact CE1-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CG2 3.76Å; F13-V17 HydrophobicContact CG-CG2 4.16Å; F13-V17 HydrophobicContact CZ-CB 4.3Å; F13-V17 HydrophobicContact CZ-CG1 4.22Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.36Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.13Å
18L71.7Confident68.8Low113 Ų11385.1 Ų85.159%0.59246%0.457SS*.Hα-helixtrans-107.5-2.5-179-62.1177.5000114L14 L20L14-L18 HydrophobicContact CD2-CD1 3.73Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 PolarHBondContact O-N 3.32Å; L14-L18 VanDerWaalsContact O-N 3.15Å; L18-L20 HydrophobicContact CB-CD1 3.93Å; L18-L20 HydrophobicContact CB-CG 4.07Å; L18-L20 HydrophobicContact CD1-CD1 4.2Å; L18-L20 PolarHBondContact O-N 3.38Å
19G70.2Confident69Low65 Ų6582.2 Ų82.267%0.6744%0.442SS*.  trans65.320.317600000114.7L14 Q15L14-G19 PolarHBondContact O-N 3.2Å; Q15-G19 WeakPolarHBondContact O-CA 3.25Å; Q15-G19 PolarHBondContact O-N 2.8Å
20L65.4Low68.8Low47 Ų4778.6 Ų78.625%0.24642%0.424CS..  trans-67.6143.4-174.9-72.5161.1000111.9L14 L18 I26 I29L14-L20 HydrophobicContact CB-CD1 4.05Å; L14-L20 HydrophobicContact CD2-CD1 4.17Å; L18-L20 HydrophobicContact CB-CD1 3.93Å; L18-L20 HydrophobicContact CB-CG 4.07Å; L18-L20 HydrophobicContact CD1-CD1 4.2Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-I26 HydrophobicContact CB-CD1 3.95Å; L20-I26 HydrophobicContact CB-CG1 3.56Å; L20-I26 VanDerWaalsContact O-CD1 3.27Å; L20-I26 WeakPolarHBondContact O-CD1 3.36Å; L20-I29 HydrophobicContact CD1-CD1 3.69Å; L20-I29 HydrophobicContact CD2-CD1 3.89Å; L20-I29 HydrophobicContact CG-CD1 4.42Å
21S60.9Low68.6Low61 Ų6180.7 Ų80.743%0.42744%0.443SS..  trans-72.4147.7-171.8101.10000112.6K23S21-K23 VanDerWaalsContact C-N 3.25Å; S21-K23 PolarHBondContact O-N 3.33Å
22P58.8Low68.6Low99 Ų9985 Ų8564%0.64346%0.462SS*.THydrogen-bonded Turntrans-72.9-0.1-165.1-18.732.2000117
23K60.4Low68.5Low181 Ų18186.3 Ų86.379%0.78747%0.465SS*.THydrogen-bonded Turntrans-121.8-3.4-153.8-84.6-169.5173.8-177.10119.8S21S21-K23 VanDerWaalsContact C-N 3.25Å; S21-K23 PolarHBondContact O-N 3.33Å
24N59.5Low68.2Low121 Ų12181.2 Ų81.265%0.64745%0.447SS*.THydrogen-bonded Turntrans-163.6-41.7156.2-94.9-28.5000111.7I26 R27 L28N24-I26 VanDerWaalsContact C-N 3.35Å; N24-I26 PolarHBondContact O-N 3.39Å; N24-R27 PolarHBondContact O-N 3.36Å; N24-L28 PolarHBondContact O-N 2.9Å
25D64.7Low68.1Low83 Ų8384.5 Ų84.544%0.44446%0.461SS..Hα-helixtrans-56.6-43.2-173.4-49.3-46000113.2R27 L28 I29D25-R27 PolarHBondContact O-N 3.37Å; D25-L28 PolarHBondContact O-N 2.82Å; D25-I29 HydrophobicContact CB-CD1 4.33Å; D25-I29 WeakPolarHBondContact O-CB 3.27Å; D25-I29 VanDerWaalsContact O-CG1 3.29Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 2.99Å
26I69.8Low68.1Low12 Ų1284 Ų846%0.06247%0.467CS..Hα-helixtrans-57.8-34.8177.8-80.8-179.7000112.9P11 L14 Q15 L20 N24 S30P11-I26 HydrophobicContact CB-CG2 3.68Å; P11-I26 HydrophobicContact CG-CG2 4.45Å; L14-I26 HydrophobicContact CB-CG1 4.43Å; Q15-I26 HydrophobicContact CB-CD1 3.67Å; Q15-I26 HydrophobicContact CG-CD1 3.85Å; L20-I26 HydrophobicContact CB-CD1 3.95Å; L20-I26 HydrophobicContact CB-CG1 3.56Å; L20-I26 VanDerWaalsContact O-CD1 3.27Å; L20-I26 WeakPolarHBondContact O-CD1 3.36Å; N24-I26 VanDerWaalsContact C-N 3.35Å; N24-I26 PolarHBondContact O-N 3.39Å; I26-S30 WeakPolarHBondContact O-CB 3.44Å; I26-S30 PolarHBondContact O-N 3.15Å; I26-S30 PolarHBondContact O-OG 2.95Å
27R67.5Low68Low177 Ų17782.4 Ų82.467%0.66846%0.456SS*.Hα-helixtrans-74-43.3179.6-70-176175.5-177.1-2.7110.8N24 D25 A31N24-R27 PolarHBondContact O-N 3.36Å; D25-R27 PolarHBondContact O-N 3.37Å; R27-A31 WeakPolarHBondContact O-CB 3.33Å; R27-A31 PolarHBondContact O-N 3.37Å
28L66.7Low68Low116 Ų11684.5 Ų84.561%0.60746%0.458SS*.Hα-helixtrans-64.5-46.8177.2-173.166.6000111.2N24 D25 A31 M32N24-L28 PolarHBondContact O-N 2.9Å; D25-L28 PolarHBondContact O-N 2.82Å; L28-A31 PolarHBondContact O-N 3.25Å; L28-M32 HydrophobicContact CG-SD 4.41Å; L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 2.65Å
29I72.4Confident68.2Low54 Ų5480.2 Ų80.228%0.27744%0.435SS..Hα-helixtrans-66-42.5179-63165.5000110.6L14 L20 D25 A31 M32 V33L14-I29 HydrophobicContact CD1-CB 4.02Å; L14-I29 HydrophobicContact CD1-CG2 3.66Å; L14-I29 HydrophobicContact CD2-CG2 3.91Å; L14-I29 HydrophobicContact CG-CG2 4.47Å; L20-I29 HydrophobicContact CD1-CD1 3.69Å; L20-I29 HydrophobicContact CD2-CD1 3.89Å; L20-I29 HydrophobicContact CG-CD1 4.42Å; D25-I29 HydrophobicContact CB-CD1 4.33Å; D25-I29 WeakPolarHBondContact O-CB 3.27Å; D25-I29 VanDerWaalsContact O-CG1 3.29Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 2.99Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.64Å; I29-M32 PolarHBondContact O-N 3.04Å; I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 3.03Å
30S69.2Low68.6Low5 Ų579.6 Ų79.64%0.03542%0.423CS..Hα-helixtrans-57.7-41.7172.5-63.40000112.2P11 L14 I26 A34P11-S30 WeakPolarHBondContact CG-OG 3.24Å; L14-S30 WeakPolarHBondContact CD1-OG 3.34Å; I26-S30 WeakPolarHBondContact O-CB 3.44Å; I26-S30 PolarHBondContact O-N 3.15Å; I26-S30 PolarHBondContact O-OG 2.95Å; S30-A34 WeakPolarHBondContact O-CB 3.41Å; S30-A34 PolarHBondContact O-N 2.96Å
31A67.3Low69.3Low58 Ų5880.3 Ų80.348%0.47944%0.436SS..Hα-helixtrans-68.4-40.6177.700000112.5R27 L28 I29 A34 F35R27-A31 WeakPolarHBondContact O-CB 3.33Å; R27-A31 PolarHBondContact O-N 3.37Å; L28-A31 PolarHBondContact O-N 3.25Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.64Å; A31-A34 WeakPolarHBondContact O-CB 3.38Å; A31-A34 PolarHBondContact O-N 3.02Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.35Å
32M71.5Confident70.2Confident115 Ų11583.3 Ų83.357%0.56744%0.439SS*.Hα-helixtrans-62.9-45174.4-71.4178.671.800111.6L28 I29 A34 F35 S36L28-M32 HydrophobicContact CG-SD 4.41Å; L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 2.65Å; I29-M32 PolarHBondContact O-N 3.04Å; M32-A34 VanDerWaalsContact C-N 3.33Å; M32-A34 PolarHBondContact O-N 3.34Å; M32-F35 PolarHBondContact O-N 2.92Å; M32-S36 WeakPolarHBondContact O-CB 3.21Å; M32-S36 PolarHBondContact O-N 3.26Å; M32-S36 PolarHBondContact O-OG 3.22Å; M32-S36 VanDerWaalsContact O-OG 3.11Å
33V71.6Confident71.4Confident52 Ų5281.4 Ų81.432%0.31542%0.42SS..Hα-helixtrans-64.5-38.9175.5177.80000110.9F6 I29 M37F6-V33 HydrophobicContact CE1-CG1 4.15Å; I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 3.03Å; V33-M37 HydrophobicContact CG1-CG 4.28Å; V33-M37 HydrophobicContact CG1-SD 4.01Å; V33-M37 WeakPolarHBondContact O-CB 3.36Å; V33-M37 WeakPolarHBondContact O-CG 3.43Å; V33-M37 PolarHBondContact O-N 3.23Å
34A68.7Low72.5Confident23 Ų2376.3 Ų76.319%0.1941%0.407CS..Hα-helixtrans-59-50.5174.700000112.1F6 S30 A31 M32 M37 F38F6-A34 HydrophobicContact CB-CB 4.19Å; F6-A34 HydrophobicContact CD1-CB 3.44Å; F6-A34 VanDerWaalsContact CD1-CB 3.44Å; F6-A34 HydrophobicContact CD2-CB 3.79Å; F6-A34 HydrophobicContact CE1-CB 3.67Å; F6-A34 HydrophobicContact CE2-CB 4Å; F6-A34 HydrophobicContact CG-CB 3.51Å; F6-A34 VanDerWaalsContact CZ-CA 3.48Å; F6-A34 HydrophobicContact CZ-CB 3.96Å; S30-A34 WeakPolarHBondContact O-CB 3.41Å; S30-A34 PolarHBondContact O-N 2.96Å; A31-A34 WeakPolarHBondContact O-CB 3.38Å; A31-A34 PolarHBondContact O-N 3.02Å; M32-A34 VanDerWaalsContact C-N 3.33Å; M32-A34 PolarHBondContact O-N 3.34Å; A34-M37 PolarHBondContact O-N 2.86Å; A34-F38 VanDerWaalsContact O-CB 3.27Å; A34-F38 WeakPolarHBondContact O-CB 3.48Å; A34-F38 PolarHBondContact O-N 2.86Å
35F70.5Confident73.7Confident82 Ų8275 Ų7536%0.3640%0.397SS..Hα-helixtrans-61.9-50.6178.5-175.2-105.6000111.3A31 M32 M37 F38 E39 L96 T100A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.35Å; M32-F35 PolarHBondContact O-N 2.92Å; F35-M37 VanDerWaalsContact C-N 3.35Å; F35-M37 PolarHBondContact O-N 3.44Å; F35-F38 PolarHBondContact O-N 2.87Å; F35-E39 HydrophobicContact CD1-CG 4.5Å; F35-E39 HydrophobicContact CD2-CG 4.29Å; F35-E39 HydrophobicContact CE1-CG 4.25Å; F35-E39 HydrophobicContact CE2-CG 4.03Å; F35-E39 HydrophobicContact CZ-CG 4.03Å; F35-E39 WeakPolarHBondContact O-CB 3.32Å; F35-E39 WeakPolarHBondContact O-CG 3.18Å; F35-E39 PolarHBondContact O-N 3.38Å; F35-L96 HydrophobicContact CE1-CD1 4.21Å; F35-L96 HydrophobicContact CE2-CD1 4.2Å; F35-L96 HydrophobicContact CZ-CD1 3.49Å; F35-L96 VanDerWaalsContact CZ-CD1 3.49Å; F35-L96 HydrophobicContact CZ-CG 4.02Å; F35-T100 HydrophobicContact CE2-CG2 3.82Å; F35-T100 HydrophobicContact CZ-CG2 3.58Å
36S73.3Confident74.7Confident72 Ų7271.7 Ų71.750%0.50338%0.379SS..Hα-helixtrans-60.8-38.5178-63.60000113.3M32 A40M32-S36 WeakPolarHBondContact O-CB 3.21Å; M32-S36 PolarHBondContact O-N 3.26Å; M32-S36 PolarHBondContact O-OG 3.22Å; M32-S36 VanDerWaalsContact O-OG 3.11Å; S36-A40 WeakPolarHBondContact O-CB 3.25Å; S36-A40 PolarHBondContact O-N 3.28Å
37M73.9Confident75.4Confident108 Ų10874.9 Ų74.953%0.53240%0.395SS..Hα-helixtrans-71.7-39.1176.5-74.3-173.970.900112.7F6 V33 A34 F35 A41F6-M37 HydrophobicContact CE1-SD 4.39Å; F6-M37 HydrophobicContact CZ-CB 4.39Å; F6-M37 HydrophobicContact CZ-SD 3.92Å; V33-M37 HydrophobicContact CG1-CG 4.28Å; V33-M37 HydrophobicContact CG1-SD 4.01Å; V33-M37 WeakPolarHBondContact O-CB 3.36Å; V33-M37 WeakPolarHBondContact O-CG 3.43Å; V33-M37 PolarHBondContact O-N 3.23Å; A34-M37 PolarHBondContact O-N 2.86Å; F35-M37 VanDerWaalsContact C-N 3.35Å; F35-M37 PolarHBondContact O-N 3.44Å; M37-A41 PolarHBondContact O-N 2.91Å; M37-A41 VanDerWaalsContact O-N 3.14Å
38F73.7Confident76.2Confident131 Ų13171.9 Ų71.958%0.57538%0.384SS*.Hα-helixtrans-66.1-50.2178.6-175.4-98.5000111.2A34 F35 A41 Y42A34-F38 VanDerWaalsContact O-CB 3.27Å; A34-F38 WeakPolarHBondContact O-CB 3.48Å; A34-F38 PolarHBondContact O-N 2.86Å; F35-F38 PolarHBondContact O-N 2.87Å; F38-A41 WeakPolarHBondContact O-CB 3.28Å; F38-A41 PolarHBondContact O-N 3.2Å; F38-Y42 PolarHBondContact O-N 2.86Å
39E76.1Confident77Confident23 Ų2368.5 Ų68.511%0.10737%0.372CS..Hα-helixtrans-65.2-44.1176.6-67.6-58.113800111.6F35 A41 Y42 Y43 Q92 L96F35-E39 HydrophobicContact CD1-CG 4.5Å; F35-E39 HydrophobicContact CD2-CG 4.29Å; F35-E39 HydrophobicContact CE1-CG 4.25Å; F35-E39 HydrophobicContact CE2-CG 4.03Å; F35-E39 HydrophobicContact CZ-CG 4.03Å; F35-E39 WeakPolarHBondContact O-CB 3.32Å; F35-E39 WeakPolarHBondContact O-CG 3.18Å; F35-E39 PolarHBondContact O-N 3.38Å; E39-A41 PolarHBondContact O-N 2.85Å; E39-Y42 WeakPolarHBondContact O-CA 3.45Å; E39-Y42 PolarHBondContact O-N 2.9Å; E39-Y43 HydrophobicContact CB-CD2 4.2Å; E39-Y43 HydrophobicContact CB-CE2 4.31Å; E39-Y43 VanDerWaalsContact O-CD2 3.26Å; E39-Y43 WeakPolarHBondContact O-CD2 3.25Å; E39-Y43 PolarHBondContact O-N 3Å; E39-Q92 PolarHBondContact OE2-NE2 3.42Å; E39-L96 HydrophobicContact CG-CD1 3.62Å; E39-L96 VanDerWaalsContact OE2-CD1 3.31Å; E39-L96 WeakPolarHBondContact OE2-CD1 3.44Å
40A79.5Confident77.7Confident51 Ų5166.1 Ų66.142%0.42136%0.362SS..Hα-helixtrans-59.6-32.5177.900000112.8S36 S44S36-A40 WeakPolarHBondContact O-CB 3.25Å; S36-A40 PolarHBondContact O-N 3.28Å; A40-S44 WeakPolarHBondContact O-CB 3.42Å; A40-S44 PolarHBondContact O-N 2.77Å; A40-S44 PolarHBondContact O-OG 3.17Å
41A79.1Confident78.5Confident62 Ų6268.6 Ų68.651%0.51237%0.374SS..Hα-helixtrans-66.2-45.1171.800000111.5M37 F38 E39 S44 E45M37-A41 PolarHBondContact O-N 2.91Å; M37-A41 VanDerWaalsContact O-N 3.14Å; F38-A41 WeakPolarHBondContact O-CB 3.28Å; F38-A41 PolarHBondContact O-N 3.2Å; E39-A41 PolarHBondContact O-N 2.85Å; A41-S44 PolarHBondContact O-N 3.28Å; A41-E45 WeakPolarHBondContact O-CB 3.37Å; A41-E45 PolarHBondContact O-N 3.39Å
42Y80.4Confident79.3Confident124 Ų12472 Ų7249%0.48638%0.38SS..Hα-helixtrans-65-47.2179.1-147.7-90.7000112.3F38 E39 S44 E45 I46 Q92F38-Y42 PolarHBondContact O-N 2.86Å; E39-Y42 WeakPolarHBondContact O-CA 3.45Å; E39-Y42 PolarHBondContact O-N 2.9Å; Y42-S44 PolarHBondContact O-N 2.78Å; Y42-E45 PolarHBondContact O-N 2.86Å; Y42-I46 HydrophobicContact CD1-CD1 3.86Å; Y42-I46 HydrophobicContact CD1-CG1 4.36Å; Y42-I46 HydrophobicContact CE1-CD1 4.14Å; Y42-I46 WeakPolarHBondContact O-CG1 3.49Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y42-Q92 HydrophobicContact CD1-CG 4.03Å; Y42-Q92 HydrophobicContact CE1-CG 4.47Å
43Y83.4Confident80Confident60 Ų6070.2 Ų70.224%0.23538%0.378CS..Hα-helixtrans-62-39.1174-80.4-76.6000112.7E39 E45 I46 I47 L89 Q92 G93E39-Y43 HydrophobicContact CB-CD2 4.2Å; E39-Y43 HydrophobicContact CB-CE2 4.31Å; E39-Y43 VanDerWaalsContact O-CD2 3.26Å; E39-Y43 WeakPolarHBondContact O-CD2 3.25Å; E39-Y43 PolarHBondContact O-N 3Å; Y43-E45 VanDerWaalsContact C-N 3.31Å; Y43-E45 PolarHBondContact O-N 3.28Å; Y43-I46 PolarHBondContact O-N 2.91Å; Y43-I47 VanDerWaalsContact O-CG1 3.32Å; Y43-I47 WeakPolarHBondContact O-CG1 3.39Å; Y43-I47 PolarHBondContact O-N 3.14Å; Y43-L89 HydrophobicContact CD1-CD2 3.52Å; Y43-L89 HydrophobicContact CE1-CD2 3.86Å; Y43-Q92 HydrophobicContact CE1-CB 4.4Å; Y43-Q92 HydrophobicContact CE1-CG 4.2Å; Y43-Q92 HydrophobicContact CE2-CG 4.02Å; Y43-G93 PolarHBondContact OH-N 3.33Å
44S84.1Confident80.7Confident74 Ų7469 Ų6952%0.51737%0.37SS..Hα-helixtrans-65.9-35.6175-62.60000112A40 A41 Y42 I47 R48A40-S44 WeakPolarHBondContact O-CB 3.42Å; A40-S44 PolarHBondContact O-N 2.77Å; A40-S44 PolarHBondContact O-OG 3.17Å; A41-S44 PolarHBondContact O-N 3.28Å; Y42-S44 PolarHBondContact O-N 2.78Å; S44-I47 PolarHBondContact O-N 2.98Å; S44-R48 WeakPolarHBondContact O-CB 3.46Å; S44-R48 PolarHBondContact O-N 3.13Å
45E84.1Confident81.5Confident94 Ų9470.8 Ų70.844%0.43938%0.381SS..Hα-helixtrans-70.7-41176.6-171.368.4171.300111.8A41 Y42 Y43 I47 R48 A49A41-E45 WeakPolarHBondContact O-CB 3.37Å; A41-E45 PolarHBondContact O-N 3.39Å; Y42-E45 PolarHBondContact O-N 2.86Å; Y43-E45 VanDerWaalsContact C-N 3.31Å; Y43-E45 PolarHBondContact O-N 3.28Å; E45-I47 VanDerWaalsContact C-N 3.29Å; E45-I47 PolarHBondContact O-N 2.98Å; E45-R48 VanDerWaalsContact CD-NH2 3.31Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 IonicContact OE1-CZ 2.72Å; E45-R48 IonicContact OE1-NE 2.65Å; E45-R48 IonicContact OE1-NH2 2.76Å; E45-R48 PolarHBondContact OE1-NH2 3.42Å; E45-R48 IonicContact OE2-CZ 3.15Å; E45-R48 IonicContact OE2-NE 3.03Å; E45-R48 PolarHBondContact OE2-NE 2.89Å; E45-R48 IonicContact OE2-NH2 2.67Å; E45-R48 PolarHBondContact OE2-NH2 2.69Å; E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.24Å; E45-A49 PolarHBondContact O-N 3.1Å
46I86.2Confident82.2Confident13 Ų1377.5 Ų77.57%0.06740%0.404CS..Hα-helixtrans-57.6-43.9170-66.6166.3000110.4Y42 Y43 A49 G50 M85 L88 L89 Q92Y42-I46 HydrophobicContact CD1-CD1 3.86Å; Y42-I46 HydrophobicContact CD1-CG1 4.36Å; Y42-I46 HydrophobicContact CE1-CD1 4.14Å; Y42-I46 WeakPolarHBondContact O-CG1 3.49Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y43-I46 PolarHBondContact O-N 2.91Å; I46-A49 PolarHBondContact O-N 3.49Å; I46-G50 PolarHBondContact O-N 2.9Å; I46-M85 HydrophobicContact CG2-CB 4.47Å; I46-M85 HydrophobicContact CG2-CG 4.44Å; I46-L88 HydrophobicContact CG2-CB 3.88Å; I46-L89 HydrophobicContact CB-CD2 4.35Å; I46-L89 HydrophobicContact CD1-CD2 4.48Å; I46-L89 HydrophobicContact CG2-CD2 3.76Å; I46-L89 HydrophobicContact CG2-CG 3.94Å; I46-Q92 HydrophobicContact CD1-CB 3.96Å; I46-Q92 HydrophobicContact CD1-CG 4.23Å
47I84.4Confident82.8Confident78 Ų7874.7 Ų74.740%0.439%0.386SS..Hα-helixtrans-65.3-43.8178.3-69.3162.5000111.8Y43 S44 E45 I51 M85Y43-I47 VanDerWaalsContact O-CG1 3.32Å; Y43-I47 WeakPolarHBondContact O-CG1 3.39Å; Y43-I47 PolarHBondContact O-N 3.14Å; S44-I47 PolarHBondContact O-N 2.98Å; E45-I47 VanDerWaalsContact C-N 3.29Å; E45-I47 PolarHBondContact O-N 2.98Å; I47-I51 HydrophobicContact CG2-CD1 4.08Å; I47-I51 WeakPolarHBondContact O-CG1 3.27Å; I47-I51 PolarHBondContact O-N 2.64Å; I47-I51 VanDerWaalsContact O-N 3.14Å; I47-M85 VanDerWaalsContact CA-SD 3.54Å; I47-M85 HydrophobicContact CB-SD 4.18Å; I47-M85 HydrophobicContact CG1-SD 4.04Å; I47-M85 HydrophobicContact CG2-SD 4.34Å
48R84.6Confident83.6Confident114 Ų11470.1 Ų70.143%0.4336%0.364SS..Hα-helixtrans-62.4-46.7177.2-169.5-177.173.178-4.5111.2S44 E45 I51 Q52S44-R48 WeakPolarHBondContact O-CB 3.46Å; S44-R48 PolarHBondContact O-N 3.13Å; E45-R48 VanDerWaalsContact CD-NH2 3.31Å; E45-R48 PolarHBondContact O-N 3.16Å; E45-R48 IonicContact OE1-CZ 2.72Å; E45-R48 IonicContact OE1-NE 2.65Å; E45-R48 IonicContact OE1-NH2 2.76Å; E45-R48 PolarHBondContact OE1-NH2 3.42Å; E45-R48 IonicContact OE2-CZ 3.15Å; E45-R48 IonicContact OE2-NE 3.03Å; E45-R48 PolarHBondContact OE2-NE 2.89Å; E45-R48 IonicContact OE2-NH2 2.67Å; E45-R48 PolarHBondContact OE2-NH2 2.69Å; R48-I51 PolarHBondContact O-N 3.38Å; R48-Q52 VanDerWaalsContact NH1-CD 3.32Å; R48-Q52 WeakPolarHBondContact O-CB 3.23Å; R48-Q52 VanDerWaalsContact O-CG 3.27Å; R48-Q52 WeakPolarHBondContact O-CG 3.48Å; R48-Q52 PolarHBondContact O-N 3.28Å
49A83.8Confident84.4Confident45 Ų4565.4 Ų65.437%0.37235%0.347SS..Hα-helixtrans-63.3-46.2178.900000111.7E45 I46 I51 Q52 S53E45-A49 VanDerWaalsContact O-CB 3.24Å; E45-A49 WeakPolarHBondContact O-CB 3.24Å; E45-A49 PolarHBondContact O-N 3.1Å; I46-A49 PolarHBondContact O-N 3.49Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 2.85Å; A49-Q52 CarbonylContact O-C 3.51Å; A49-Q52 PolarHBondContact O-N 3.46Å; A49-Q52 VanDerWaalsContact O-N 3.11Å; A49-S53 WeakPolarHBondContact O-CB 3.19Å; A49-S53 PolarHBondContact O-N 3.39Å; A49-S53 PolarHBondContact O-OG 3.14Å
50G86.5Confident85Confident5 Ų566 Ų665%0.05235%0.354CS..Hα-helixtrans-67.5-27.3-179.900000114.8I46 S53 A81I46-G50 PolarHBondContact O-N 2.9Å; G50-S53 PolarHBondContact O-OG 3.07Å; G50-A81 WeakPolarHBondContact O-CA 3.33Å; G50-A81 WeakPolarHBondContact O-CB 3.48Å
51I85.8Confident85.5Confident57 Ų5763.7 Ų63.729%0.29233%0.334SS..Hα-helixtrans-76.7-38.2169.5-66.8171.1000110.7I47 R48 A49 I77 L78 A81I47-I51 HydrophobicContact CG2-CD1 4.08Å; I47-I51 WeakPolarHBondContact O-CG1 3.27Å; I47-I51 PolarHBondContact O-N 2.64Å; I47-I51 VanDerWaalsContact O-N 3.14Å; R48-I51 PolarHBondContact O-N 3.38Å; A49-I51 VanDerWaalsContact C-N 3.33Å; A49-I51 PolarHBondContact O-N 2.85Å; I51-I77 HydrophobicContact CG2-CG2 4.23Å; I51-L78 HydrophobicContact CD1-CD2 4.24Å; I51-A81 HydrophobicContact CG1-CB 4.07Å
52Q84.8Confident86.2Confident130 Ų13060.7 Ų60.761%0.60731%0.31SS*.Hα-helixtrans-75.3-20.7179.5-73.8-176.1-9.600114.3R48 A49 I54R48-Q52 VanDerWaalsContact NH1-CD 3.32Å; R48-Q52 WeakPolarHBondContact O-CB 3.23Å; R48-Q52 VanDerWaalsContact O-CG 3.27Å; R48-Q52 WeakPolarHBondContact O-CG 3.48Å; R48-Q52 PolarHBondContact O-N 3.28Å; A49-Q52 CarbonylContact O-C 3.51Å; A49-Q52 PolarHBondContact O-N 3.46Å; A49-Q52 VanDerWaalsContact O-N 3.11Å; Q52-I54 PolarHBondContact O-N 2.7Å
53S85.6Confident86.7Confident76 Ų7655.5 Ų55.553%0.53129%0.291SS..THydrogen-bonded Turntrans-74.4-12.4176.564.20000113.5A49 G50A49-S53 WeakPolarHBondContact O-CB 3.19Å; A49-S53 PolarHBondContact O-N 3.39Å; A49-S53 PolarHBondContact O-OG 3.14Å; G50-S53 PolarHBondContact O-OG 3.07Å
54I86.3Confident87.1Confident26 Ų2653 Ų5313%0.13328%0.282CS..SBendtrans-80.1125177.1-53.3-48.4000109.4Q52 R56 Q58 I77 Q80 A81Q52-I54 PolarHBondContact O-N 2.7Å; I54-R56 PolarHBondContact O-N 2.94Å; I54-Q58 HydrophobicContact CG2-CB 3.98Å; I54-Q58 HydrophobicContact CG2-CG 4.14Å; I54-I77 HydrophobicContact CB-CG2 4.3Å; I54-I77 HydrophobicContact CG1-CG2 4.25Å; I54-I77 HydrophobicContact CG2-CD1 3.71Å; I54-I77 HydrophobicContact CG2-CG2 4.47Å; I54-Q80 HydrophobicContact CD1-CB 3.61Å; I54-Q80 HydrophobicContact CG1-CB 4.2Å; I54-A81 HydrophobicContact CG1-CB 4.15Å
55S85.3Confident87.5Confident61 Ų6150 Ų5043%0.42726%0.26SS..  trans-49.5135.3178.9171.30000111.1G57 Q58 E226S55-G57 PolarHBondContact O-N 3.04Å; S55-G57 VanDerWaalsContact O-N 3.16Å; S55-G57 PolarHBondContact OG-N 2.95Å; S55-Q58 WeakPolarHBondContact O-CB 3.24Å; S55-Q58 PolarHBondContact O-N 3.4Å; S55-E226 PolarHBondContact OG-OE1 2.71Å
56R85.4Confident87.8Confident223 Ų22345.6 Ų45.684%0.84224%0.24SC*.Hα-helixtrans-56.3-30.6172.2-71-173.1177.6-172.61.8111.7I54 Q58 S59 S60I54-R56 PolarHBondContact O-N 2.94Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 2.67Å; R56-S59 WeakPolarHBondContact O-CB 3.45Å; R56-S59 PolarHBondContact O-N 2.7Å; R56-S59 VanDerWaalsContact O-N 3.13Å; R56-S60 PolarHBondContact O-N 3.06Å; R56-S60 PolarHBondContact O-OG 3.29Å
57G86.7Confident88.1Confident13 Ų1345 Ų4513%0.13424%0.237CC..Hα-helixtrans-62.8-31.1177.200000113.8S55 S59 S60 A61 E226S55-G57 PolarHBondContact O-N 3.04Å; S55-G57 VanDerWaalsContact O-N 3.16Å; S55-G57 PolarHBondContact OG-N 2.95Å; G57-S59 VanDerWaalsContact C-N 3.31Å; G57-S59 PolarHBondContact O-N 2.78Å; G57-S60 CarbonylContact O-C 3.43Å; G57-S60 WeakPolarHBondContact O-CB 3.26Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 VanDerWaalsContact O-N 3.14Å; G57-A61 WeakPolarHBondContact O-CB 3.36Å; G57-A61 PolarHBondContact O-N 3.16Å; G57-E226 VanDerWaalsContact CA-CD 3.44Å; G57-E226 WeakPolarHBondContact CA-OE1 3.37Å
58Q91.1Very high88.4Confident13 Ų1344.3 Ų44.36%0.06124%0.236CC..Hα-helixtrans-63.8-38.9173.4-65.5-71.7-69.200111.4I54 S55 R56 A62 I76 I77 E226 L227 P229I54-Q58 HydrophobicContact CG2-CB 3.98Å; I54-Q58 HydrophobicContact CG2-CG 4.14Å; S55-Q58 WeakPolarHBondContact O-CB 3.24Å; S55-Q58 PolarHBondContact O-N 3.4Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 2.67Å; Q58-A62 WeakPolarHBondContact O-CB 3.46Å; Q58-A62 PolarHBondContact O-N 3.17Å; Q58-A62 VanDerWaalsContact O-N 3.12Å; Q58-I76 HydrophobicContact CB-CG2 4.2Å; Q58-I77 HydrophobicContact CB-CD1 4.33Å; Q58-E226 PolarHBondContact N-OE2 3.43Å; Q58-E226 PolarHBondContact NE2-OE2 3.05Å; Q58-L227 PolarHBondContact NE2-O 3.1Å; Q58-L227 PolarHBondContact OE1-O 3.08Å; Q58-P229 VanDerWaalsContact OE1-CD 3.32Å
59S88.8Confident88.5Confident31 Ų3145.2 Ų45.222%0.21725%0.245CC..Hα-helixtrans-67.6-44.2172.2-173.50000110.9R56 G57 A61 A62 L63R56-S59 WeakPolarHBondContact O-CB 3.45Å; R56-S59 PolarHBondContact O-N 2.7Å; R56-S59 VanDerWaalsContact O-N 3.13Å; G57-S59 VanDerWaalsContact C-N 3.31Å; G57-S59 PolarHBondContact O-N 2.78Å; S59-A61 PolarHBondContact O-N 3.35Å; S59-A62 PolarHBondContact O-N 3.4Å; S59-L63 WeakPolarHBondContact O-CB 3.43Å; S59-L63 VanDerWaalsContact O-CG 3.24Å; S59-L63 WeakPolarHBondContact O-CG 3.49Å; S59-L63 PolarHBondContact O-N 3.47Å
60S89.3Confident88.7Confident37 Ų3751.3 Ų51.326%0.25926%0.259SS..Hα-helixtrans-60.1-43.5177.3-60.60000112.6R56 G57 L63 A64R56-S60 PolarHBondContact O-N 3.06Å; R56-S60 PolarHBondContact O-OG 3.29Å; G57-S60 CarbonylContact O-C 3.43Å; G57-S60 WeakPolarHBondContact O-CB 3.26Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 VanDerWaalsContact O-N 3.14Å; S60-L63 PolarHBondContact O-N 2.97Å; S60-A64 VanDerWaalsContact O-CB 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.43Å; S60-A64 PolarHBondContact O-N 2.6Å
61A90.9Very high88.9Confident1 Ų153.2 Ų53.21%0.00827%0.266CS..Hα-helixtrans-66-39.3176.300000112.4G57 S59 A64 L65 F222 E226 F228G57-A61 WeakPolarHBondContact O-CB 3.36Å; G57-A61 PolarHBondContact O-N 3.16Å; S59-A61 PolarHBondContact O-N 3.35Å; A61-A64 PolarHBondContact O-N 2.86Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 2.66Å; A61-L65 VanDerWaalsContact O-N 3.14Å; A61-F222 HydrophobicContact CB-CD2 4.47Å; A61-F222 HydrophobicContact CB-CE2 3.98Å; A61-E226 HydrophobicContact CB-CB 3.93Å; A61-F228 HydrophobicContact CB-CE1 4.2Å; A61-F228 HydrophobicContact CB-CZ 4.41Å
62A92.7Very high89.1Confident0 Ų050.6 Ų50.60%025%0.253CS..Hα-helixtrans-63.2-4517300000112Q58 S59 L65 M67 S72 I76 F228Q58-A62 WeakPolarHBondContact O-CB 3.46Å; Q58-A62 PolarHBondContact O-N 3.17Å; Q58-A62 VanDerWaalsContact O-N 3.12Å; S59-A62 PolarHBondContact O-N 3.4Å; A62-L65 PolarHBondContact O-N 2.99Å; A62-M67 HydrophobicContact CB-SD 4.09Å; A62-M67 WeakPolarHBondContact O-CB 3.17Å; A62-M67 VanDerWaalsContact O-CG 3.28Å; A62-M67 WeakPolarHBondContact O-CG 3.47Å; A62-M67 PolarHBondContact O-N 3.21Å; A62-M67 VanDerWaalsContact O-N 3.13Å; A62-S72 WeakPolarHBondContact CB-OG 3.4Å; A62-I76 HydrophobicContact CB-CG1 3.86Å; A62-F228 HydrophobicContact CB-CE1 4.33Å; A62-F228 HydrophobicContact CB-CZ 4.22Å
63L92Very high89.4Confident15 Ų1548 Ų488%0.07924%0.242CC..Hα-helixtrans-64.3-41.7177-69.9174.2000111.7S59 S60 L65 G66 M67 L189 R215S59-L63 WeakPolarHBondContact O-CB 3.43Å; S59-L63 VanDerWaalsContact O-CG 3.24Å; S59-L63 WeakPolarHBondContact O-CG 3.49Å; S59-L63 PolarHBondContact O-N 3.47Å; S60-L63 PolarHBondContact O-N 2.97Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 3.27Å; L63-G66 WeakPolarHBondContact O-CA 3.35Å; L63-G66 PolarHBondContact O-N 2.96Å; L63-M67 WeakPolarHBondContact CD2-O 3.3Å; L63-L189 HydrophobicContact CB-CD2 3.83Å; L63-R215 WeakPolarHBondContact O-CB 3.46Å; L63-R215 WeakPolarHBondContact O-CD 3.49Å
64A91.2Very high89.7Confident7 Ų750 Ų506%0.05824%0.241CC..Hα-helixtrans-63.2-29.9177.700000112.8S60 A61 G66 L189 R215 M220 F222S60-A64 VanDerWaalsContact O-CB 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.43Å; S60-A64 PolarHBondContact O-N 2.6Å; A61-A64 PolarHBondContact O-N 2.86Å; A64-G66 PolarHBondContact O-N 3.49Å; A64-L189 HydrophobicContact CB-CD1 4.27Å; A64-L189 HydrophobicContact CB-CD2 4.37Å; A64-R215 CarbonylContact O-C 3.52Å; A64-M220 HydrophobicContact CB-CB 3.93Å; A64-M220 HydrophobicContact CB-CG 4.48Å; A64-F222 HydrophobicContact CB-CE2 4.13Å; A64-F222 HydrophobicContact CB-CZ 3.97Å
65L92.1Very high90Very high11 Ų1150.6 Ų50.66%0.05825%0.245CC..THydrogen-bonded Turntrans-77.610.4170.2-66.3170.1000113.6A61 A62 L63 F228 A240 R288 M292A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 2.66Å; A61-L65 VanDerWaalsContact O-N 3.14Å; A62-L65 PolarHBondContact O-N 2.99Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 3.27Å; L65-F228 HydrophobicContact CD1-CE2 3.92Å; L65-F228 HydrophobicContact CD1-CZ 4Å; L65-A240 HydrophobicContact CB-CB 3.74Å; L65-A240 HydrophobicContact CD1-CB 4.1Å; L65-A240 HydrophobicContact CD2-CB 4.31Å; L65-A240 HydrophobicContact CG-CB 4.27Å; L65-R288 HydrophobicContact CD1-CG 4.16Å; L65-R288 HydrophobicContact CD2-CG 4.21Å; L65-M292 HydrophobicContact CD2-CG 3.73Å; L65-M292 HydrophobicContact CD2-SD 4.38Å; L65-M292 VanDerWaalsContact O-CE 3.23Å; L65-M292 WeakPolarHBondContact O-CE 3.49Å
66G90.3Very high90.3Very high2 Ų247.7 Ų47.72%0.02122%0.224CC..THydrogen-bonded Turntrans75.417-18000000114.9L63 A64 A212 V244L63-G66 WeakPolarHBondContact O-CA 3.35Å; L63-G66 PolarHBondContact O-N 2.96Å; A64-G66 PolarHBondContact O-N 3.49Å; G66-A212 WeakPolarHBondContact CA-O 3.37Å; G66-V244 WeakPolarHBondContact O-CG1 3.49Å
67M91.9Very high90.5Very high0 Ų037.7 Ų37.70%019%0.187CC..  trans-72.2140.5170.9-56.9-169.8-163.300110.3A62 L63 Q71 L75 I76 L239 A240 V244A62-M67 HydrophobicContact CB-SD 4.09Å; A62-M67 WeakPolarHBondContact O-CB 3.17Å; A62-M67 VanDerWaalsContact O-CG 3.28Å; A62-M67 WeakPolarHBondContact O-CG 3.47Å; A62-M67 PolarHBondContact O-N 3.21Å; A62-M67 VanDerWaalsContact O-N 3.13Å; L63-M67 WeakPolarHBondContact CD2-O 3.3Å; M67-Q71 HydrophobicContact CB-CB 3.94Å; M67-L75 HydrophobicContact SD-CD1 4.34Å; M67-I76 HydrophobicContact SD-CG1 4.35Å; M67-L239 HydrophobicContact CE-CD2 3.79Å; M67-L239 HydrophobicContact CE-CG 3.94Å; M67-A240 HydrophobicContact CE-CB 4.13Å; M67-V244 HydrophobicContact CB-CG2 4.44Å; M67-V244 HydrophobicContact CG-CG2 3.71Å
68T90.9Very high90.7Very high63 Ų6340.7 Ų40.739%0.38720%0.2SC..  trans-67158.7165.658.30000110.9W70 Q71 S72 A212T68-W70 PolarHBondContact O-N 2.87Å; T68-W70 VanDerWaalsContact O-N 3.14Å; T68-Q71 PolarHBondContact O-N 3.21Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.35Å; T68-Q71 PolarHBondContact OG1-N 3.25Å; T68-Q71 PolarHBondContact OG1-OE1 3.4Å; T68-S72 PolarHBondContact O-N 2.96Å; T68-A212 HydrophobicContact CG2-CB 4.32Å
69H86.9Confident90.7Very high133 Ų13342.2 Ų42.262%0.61621%0.211SC*.Hα-helixtrans-52.5-37174.8-77.1-78.1000113.1M73H69-M73 VanDerWaalsContact O-CB 3.24Å; H69-M73 WeakPolarHBondContact O-CB 3.45Å; H69-M73 PolarHBondContact O-N 2.91Å
70W89.4Confident90.7Very high174 Ų17441.5 Ų41.566%0.65920%0.204SC*.Hα-helixtrans-71-37.8176.9-173.786.1000112.9T68 K74T68-W70 PolarHBondContact O-N 2.87Å; T68-W70 VanDerWaalsContact O-N 3.14Å; W70-K74 HydrophobicContact CE3-CD 4.47Å; W70-K74 HydrophobicContact CH2-CD 3.53Å; W70-K74 HydrophobicContact CZ2-CD 3.8Å; W70-K74 HydrophobicContact CZ3-CD 3.88Å; W70-K74 WeakPolarHBondContact O-CB 3.35Å; W70-K74 PolarHBondContact O-N 3.39Å
71Q90.3Very high90.7Very high44 Ų4439.8 Ų39.821%0.20619%0.192CC..Hα-helixtrans-66.6-45.3172.8-76.2165.2-54.800111.6M67 T68 K74 L75 K243M67-Q71 HydrophobicContact CB-CB 3.94Å; T68-Q71 PolarHBondContact O-N 3.21Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.35Å; T68-Q71 PolarHBondContact OG1-N 3.25Å; T68-Q71 PolarHBondContact OG1-OE1 3.4Å; Q71-K74 PolarHBondContact O-N 2.91Å; Q71-L75 HydrophobicContact CB-CD1 4.27Å; Q71-L75 VanDerWaalsContact O-CB 3.25Å; Q71-L75 WeakPolarHBondContact O-CB 3.2Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.36Å; Q71-L75 PolarHBondContact O-N 3.11Å; Q71-K243 PolarHBondContact NE2-O 2.82Å
72S89.3Confident90.6Very high2 Ų245.6 Ų45.61%0.01422%0.217CC..Hα-helixtrans-55.7-51.1173.5172.20000110.7A62 T68 K74 I76 I77A62-S72 WeakPolarHBondContact CB-OG 3.4Å; T68-S72 PolarHBondContact O-N 2.96Å; S72-K74 PolarHBondContact O-N 2.86Å; S72-I76 WeakPolarHBondContact O-CA 3.33Å; S72-I76 WeakPolarHBondContact O-CB 3.37Å; S72-I76 PolarHBondContact O-N 3.31Å; S72-I77 PolarHBondContact O-N 2.91Å
73M90.6Very high90.2Very high77 Ų7753.2 Ų53.238%0.37925%0.246SC..Iπ-helixtrans-58.2-45.9177-172.5616900112.1H69 I77 L78H69-M73 VanDerWaalsContact O-CB 3.24Å; H69-M73 WeakPolarHBondContact O-CB 3.45Å; H69-M73 PolarHBondContact O-N 2.91Å; M73-I77 HydrophobicContact SD-CB 3.87Å; M73-I77 HydrophobicContact SD-CG2 3.88Å; M73-L78 HydrophobicContact CG-CD1 3.95Å; M73-L78 HydrophobicContact CG-CG 4.03Å; M73-L78 WeakPolarHBondContact O-CB 3.32Å; M73-L78 VanDerWaalsContact O-CG 3.29Å; M73-L78 WeakPolarHBondContact O-CG 3.36Å; M73-L78 PolarHBondContact O-N 2.64Å; M73-L78 HydrophobicContact SD-CD2 4.47Å; M73-L78 HydrophobicContact SD-CG 3.99Å
74K92.2Very high89.8Confident116 Ų11654.7 Ų54.750%0.50426%0.26SS..Iπ-helixtrans-75.6-34.3-175.7-177.6171.6-179.6173.30114.7W70 Q71 S72 P79W70-K74 HydrophobicContact CE3-CD 4.47Å; W70-K74 HydrophobicContact CH2-CD 3.53Å; W70-K74 HydrophobicContact CZ2-CD 3.8Å; W70-K74 HydrophobicContact CZ3-CD 3.88Å; W70-K74 WeakPolarHBondContact O-CB 3.35Å; W70-K74 PolarHBondContact O-N 3.39Å; Q71-K74 PolarHBondContact O-N 2.91Å; S72-K74 PolarHBondContact O-N 2.86Å; K74-P79 WeakPolarHBondContact O-CD 3.42Å
75L92Very high89.7Confident40 Ų4054.9 Ų54.921%0.20926%0.26CS..Iπ-helixtrans-101.9-28.7-170.3-60.3171.9000113.1M67 Q71 H230 L239 K243M67-L75 HydrophobicContact SD-CD1 4.34Å; Q71-L75 HydrophobicContact CB-CD1 4.27Å; Q71-L75 VanDerWaalsContact O-CB 3.25Å; Q71-L75 WeakPolarHBondContact O-CB 3.2Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.36Å; Q71-L75 PolarHBondContact O-N 3.11Å; L75-H230 PolarHBondContact O-NE2 3.49Å; L75-L239 HydrophobicContact CB-CD2 4.41Å; L75-L239 HydrophobicContact CD1-CD1 4.36Å; L75-K243 HydrophobicContact CD1-CB 4.18Å; L75-K243 HydrophobicContact CD1-CG 3.96Å
76I91.7Very high89.3Confident0 Ų056.5 Ų56.50%027%0.27CS..Iπ-helixtrans-113.3-63.8-175.1-51.5-52.7000110.4Q58 A62 M67 S72 P79 Q80 F228 L231 L239Q58-I76 HydrophobicContact CB-CG2 4.2Å; A62-I76 HydrophobicContact CB-CG1 3.86Å; M67-I76 HydrophobicContact SD-CG1 4.35Å; S72-I76 WeakPolarHBondContact O-CA 3.33Å; S72-I76 WeakPolarHBondContact O-CB 3.37Å; S72-I76 PolarHBondContact O-N 3.31Å; I76-P79 WeakPolarHBondContact O-CD 3.43Å; I76-Q80 VanDerWaalsContact O-CG 3.29Å; I76-Q80 WeakPolarHBondContact O-CG 3.02Å; I76-Q80 PolarHBondContact O-N 3.04Å; I76-F228 HydrophobicContact CB-CD1 4.45Å; I76-F228 HydrophobicContact CB-CE1 4.45Å; I76-F228 HydrophobicContact CD1-CB 4.41Å; I76-F228 HydrophobicContact CD1-CD1 3.73Å; I76-F228 HydrophobicContact CD1-CD2 3.66Å; I76-F228 HydrophobicContact CD1-CE1 3.82Å; I76-F228 HydrophobicContact CD1-CE2 3.74Å; I76-F228 HydrophobicContact CD1-CG 3.66Å; I76-F228 HydrophobicContact CD1-CZ 3.82Å; I76-F228 HydrophobicContact CG1-CD1 4.13Å; I76-F228 HydrophobicContact CG1-CE1 3.88Å; I76-F228 HydrophobicContact CG1-CE2 4.48Å; I76-F228 HydrophobicContact CG1-CZ 4.07Å; I76-F228 HydrophobicContact CG2-CD1 3.5Å; I76-F228 HydrophobicContact CG2-CE1 3.7Å; I76-F228 HydrophobicContact CG2-CG 4.36Å; I76-L231 HydrophobicContact CD1-CD1 4.39Å; I76-L239 HydrophobicContact CD1-CD2 3.56Å
77I89.9Confident89Confident12 Ų1258.9 Ų58.96%0.06229%0.286CS..Iπ-helixtrans-68.8-54.4-169.2-49.5-58.7000111.9I51 I54 Q58 S72 M73 Q80 A81I51-I77 HydrophobicContact CG2-CG2 4.23Å; I54-I77 HydrophobicContact CB-CG2 4.3Å; I54-I77 HydrophobicContact CG1-CG2 4.25Å; I54-I77 HydrophobicContact CG2-CD1 3.71Å; I54-I77 HydrophobicContact CG2-CG2 4.47Å; Q58-I77 HydrophobicContact CB-CD1 4.33Å; S72-I77 PolarHBondContact O-N 2.91Å; M73-I77 HydrophobicContact SD-CB 3.87Å; M73-I77 HydrophobicContact SD-CG2 3.88Å; I77-Q80 PolarHBondContact O-N 2.9Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.26Å
78L90.5Very high88.6Confident76 Ų7663.6 Ų63.640%0.39831%0.31SS..Hα-helixtrans-62.1-40.8-177.7-75.3169.8000113.4I51 M73 F82I51-L78 HydrophobicContact CD1-CD2 4.24Å; M73-L78 HydrophobicContact CG-CD1 3.95Å; M73-L78 HydrophobicContact CG-CG 4.03Å; M73-L78 WeakPolarHBondContact O-CB 3.32Å; M73-L78 VanDerWaalsContact O-CG 3.29Å; M73-L78 WeakPolarHBondContact O-CG 3.36Å; M73-L78 PolarHBondContact O-N 2.64Å; M73-L78 HydrophobicContact SD-CD2 4.47Å; M73-L78 HydrophobicContact SD-CG 3.99Å; L78-F82 WeakPolarHBondContact O-CB 3.31Å; L78-F82 PolarHBondContact O-N 2.73Å
79P90.9Very high88.2Confident46 Ų4662.7 Ų62.730%0.29930%0.303SS..Hα-helixtrans-63.9-39.2174.5-28.639000114.2K74 I76 R83K74-P79 WeakPolarHBondContact O-CD 3.42Å; I76-P79 WeakPolarHBondContact O-CD 3.43Å; P79-R83 PolarHBondContact O-N 2.97Å; P79-R83 VanDerWaalsContact O-N 3.15Å
80Q89.9Confident88Confident16 Ų1661.4 Ų61.48%0.07530%0.3CS..Hα-helixtrans-70.5-47.7175.7-67.4176.421.900111.4I54 I76 I77 F82 R83 A84 H230I54-Q80 HydrophobicContact CD1-CB 3.61Å; I54-Q80 HydrophobicContact CG1-CB 4.2Å; I76-Q80 VanDerWaalsContact O-CG 3.29Å; I76-Q80 WeakPolarHBondContact O-CG 3.02Å; I76-Q80 PolarHBondContact O-N 3.04Å; I77-Q80 PolarHBondContact O-N 2.9Å; Q80-F82 VanDerWaalsContact C-N 3.25Å; Q80-F82 PolarHBondContact O-N 3.31Å; Q80-R83 WeakPolarHBondContact O-CB 3.28Å; Q80-R83 PolarHBondContact O-N 2.66Å; Q80-R83 VanDerWaalsContact O-N 3.1Å; Q80-A84 PolarHBondContact O-N 3.15Å; Q80-H230 HydrophobicContact CG-CB 4.21Å; Q80-H230 VanDerWaalsContact CG-ND1 3.29Å; Q80-H230 WeakPolarHBondContact CG-ND1 2.85Å; Q80-H230 PolarHBondContact NE2-CE1 3.47Å; Q80-H230 VanDerWaalsContact NE2-CE1 3.29Å; Q80-H230 PolarHBondContact NE2-ND1 2.94Å
81A88.1Confident87.6Confident0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-55.6-43.6174.400000110.2G50 I51 I54 I77 R83 A84 M85G50-A81 WeakPolarHBondContact O-CA 3.33Å; G50-A81 WeakPolarHBondContact O-CB 3.48Å; I51-A81 HydrophobicContact CG1-CB 4.07Å; I54-A81 HydrophobicContact CG1-CB 4.15Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.26Å; A81-R83 PolarHBondContact O-N 3.36Å; A81-A84 CarbonylContact O-C 3.41Å; A81-A84 PolarHBondContact O-N 2.95Å; A81-A84 VanDerWaalsContact O-N 3.13Å; A81-M85 HydrophobicContact CB-CE 4.06Å; A81-M85 VanDerWaalsContact O-CB 3.31Å; A81-M85 WeakPolarHBondContact O-CB 3.49Å; A81-M85 WeakPolarHBondContact O-CG 3.26Å; A81-M85 PolarHBondContact O-N 3.07Å
82F89.4Confident87.1Confident124 Ų12455.4 Ų55.454%0.54428%0.284SS..Hα-helixtrans-62.9-41.4177.7-170.1-101.5000112L78 Q80 A84 M85 V86L78-F82 WeakPolarHBondContact O-CB 3.31Å; L78-F82 PolarHBondContact O-N 2.73Å; Q80-F82 VanDerWaalsContact C-N 3.25Å; Q80-F82 PolarHBondContact O-N 3.31Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.19Å; F82-M85 HydrophobicContact CB-CE 4.25Å; F82-M85 HydrophobicContact CD2-CE 4.36Å; F82-M85 PolarHBondContact O-N 2.94Å; F82-V86 HydrophobicContact CD1-CG2 3.71Å; F82-V86 HydrophobicContact CD2-CG2 4.23Å; F82-V86 HydrophobicContact CE1-CG2 3.39Å; F82-V86 HydrophobicContact CE2-CG2 3.94Å; F82-V86 HydrophobicContact CG-CG2 4.12Å; F82-V86 HydrophobicContact CZ-CG2 3.52Å; F82-V86 WeakPolarHBondContact O-CB 3.17Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.77Å
83R85.6Confident86.5Confident159 Ų15956.3 Ų56.360%0.629%0.294SS*.Hα-helixtrans-59.1-40.1171.4-100.8-174.6179.9173.72.5113P79 Q80 A81 P87P79-R83 PolarHBondContact O-N 2.97Å; P79-R83 VanDerWaalsContact O-N 3.15Å; Q80-R83 WeakPolarHBondContact O-CB 3.28Å; Q80-R83 PolarHBondContact O-N 2.66Å; Q80-R83 VanDerWaalsContact O-N 3.1Å; A81-R83 PolarHBondContact O-N 3.36Å; R83-P87 WeakPolarHBondContact O-CD 3.24Å
84A82.8Confident85.8Confident46 Ų4656.9 Ų56.938%0.3830%0.297SS..Hα-helixtrans-73.9-35.6177.300000113.2Q80 A81 F82Q80-A84 PolarHBondContact O-N 3.15Å; A81-A84 CarbonylContact O-C 3.41Å; A81-A84 PolarHBondContact O-N 2.95Å; A81-A84 VanDerWaalsContact O-N 3.13Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.19Å
85M88.3Confident84.8Confident11 Ų1153.7 Ų53.75%0.05429%0.288CS..Hα-helixtrans-76.1-36.3180-70179.8-56.300112.4I46 I47 A81 F82 L88 L89I46-M85 HydrophobicContact CG2-CB 4.47Å; I46-M85 HydrophobicContact CG2-CG 4.44Å; I47-M85 VanDerWaalsContact CA-SD 3.54Å; I47-M85 HydrophobicContact CB-SD 4.18Å; I47-M85 HydrophobicContact CG1-SD 4.04Å; I47-M85 HydrophobicContact CG2-SD 4.34Å; A81-M85 HydrophobicContact CB-CE 4.06Å; A81-M85 VanDerWaalsContact O-CB 3.31Å; A81-M85 WeakPolarHBondContact O-CB 3.49Å; A81-M85 WeakPolarHBondContact O-CG 3.26Å; A81-M85 PolarHBondContact O-N 3.07Å; F82-M85 HydrophobicContact CB-CE 4.25Å; F82-M85 HydrophobicContact CD2-CE 4.36Å; F82-M85 PolarHBondContact O-N 2.94Å; M85-L88 CarbonylContact O-C 3.51Å; M85-L88 PolarHBondContact O-N 2.87Å; M85-L89 HydrophobicContact CB-CD1 3.81Å; M85-L89 HydrophobicContact CB-CG 4.2Å; M85-L89 WeakPolarHBondContact O-CB 3.28Å; M85-L89 VanDerWaalsContact O-CG 3.29Å; M85-L89 WeakPolarHBondContact O-CG 3.29Å; M85-L89 PolarHBondContact O-N 3.5Å
86V85.4Confident83.8Confident45 Ų4553.6 Ų53.627%0.27329%0.287SS..Hα-helixtrans-54.1-46.1-172.9157.60000113.3F82 L88 L89 L90F82-V86 HydrophobicContact CD1-CG2 3.71Å; F82-V86 HydrophobicContact CD2-CG2 4.23Å; F82-V86 HydrophobicContact CE1-CG2 3.39Å; F82-V86 HydrophobicContact CE2-CG2 3.94Å; F82-V86 HydrophobicContact CG-CG2 4.12Å; F82-V86 HydrophobicContact CZ-CG2 3.52Å; F82-V86 WeakPolarHBondContact O-CB 3.17Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.77Å; V86-L88 PolarHBondContact O-N 3.43Å; V86-L89 PolarHBondContact O-N 3.23Å; V86-L90 HydrophobicContact CG1-CD1 3.67Å; V86-L90 HydrophobicContact CG1-CG 4.27Å; V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.43Å; V86-L90 VanDerWaalsContact O-CG 3.24Å; V86-L90 WeakPolarHBondContact O-CG 3.31Å; V86-L90 PolarHBondContact O-N 3.42Å
87P84.1Confident82.4Confident53 Ų5357.7 Ų57.734%0.34431%0.305SS..Hα-helixtrans-59-44.9174.3-25.535.1000113R83 L90 T91R83-P87 WeakPolarHBondContact O-CD 3.24Å; P87-L90 PolarHBondContact O-N 2.83Å; P87-T91 WeakPolarHBondContact O-CB 3.18Å; P87-T91 PolarHBondContact O-N 3.39Å; P87-T91 PolarHBondContact O-OG1 2.87Å
88L83Confident81Confident99 Ų9964.1 Ų64.152%0.51834%0.335SS..Hα-helixtrans-66.9-40.2178-77.6162.1000112.7I46 M85 V86 T91 Q92I46-L88 HydrophobicContact CG2-CB 3.88Å; M85-L88 CarbonylContact O-C 3.51Å; M85-L88 PolarHBondContact O-N 2.87Å; V86-L88 PolarHBondContact O-N 3.43Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-Q92 WeakPolarHBondContact O-CB 3.35Å; L88-Q92 PolarHBondContact O-N 3.34Å
89L82.8Confident79.6Confident43 Ų4367.1 Ų67.123%0.22535%0.351CS..Hα-helixtrans-68.1-37.3176.4-68.5172.8000111.7Y43 I46 M85 V86 G93Y43-L89 HydrophobicContact CD1-CD2 3.52Å; Y43-L89 HydrophobicContact CE1-CD2 3.86Å; I46-L89 HydrophobicContact CB-CD2 4.35Å; I46-L89 HydrophobicContact CD1-CD2 4.48Å; I46-L89 HydrophobicContact CG2-CD2 3.76Å; I46-L89 HydrophobicContact CG2-CG 3.94Å; M85-L89 HydrophobicContact CB-CD1 3.81Å; M85-L89 HydrophobicContact CB-CG 4.2Å; M85-L89 WeakPolarHBondContact O-CB 3.28Å; M85-L89 VanDerWaalsContact O-CG 3.29Å; M85-L89 WeakPolarHBondContact O-CG 3.29Å; M85-L89 PolarHBondContact O-N 3.5Å; V86-L89 PolarHBondContact O-N 3.23Å; L89-G93 PolarHBondContact O-N 2.79Å
90L81.7Confident78Confident106 Ų10666.3 Ų66.356%0.55535%0.346SS*.Hα-helixtrans-69.4-44.8173.5-74.9171.6000111V86 P87 G93 I94V86-L90 HydrophobicContact CG1-CD1 3.67Å; V86-L90 HydrophobicContact CG1-CG 4.27Å; V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.43Å; V86-L90 VanDerWaalsContact O-CG 3.24Å; V86-L90 WeakPolarHBondContact O-CG 3.31Å; V86-L90 PolarHBondContact O-N 3.42Å; P87-L90 PolarHBondContact O-N 2.83Å; L90-G93 CarbonylContact O-C 3.49Å; L90-G93 PolarHBondContact O-N 2.74Å; L90-I94 WeakPolarHBondContact O-CB 3.15Å; L90-I94 VanDerWaalsContact O-CG1 3.23Å; L90-I94 WeakPolarHBondContact O-CG1 3.13Å; L90-I94 PolarHBondContact O-N 3.45Å
91T80.7Confident76.2Confident70 Ų7071.3 Ų71.343%0.42938%0.382SS..Hα-helixtrans-62.8-45.8175.6-62.30000111.3P87 L88 G93 I94 V95P87-T91 WeakPolarHBondContact O-CB 3.18Å; P87-T91 PolarHBondContact O-N 3.39Å; P87-T91 PolarHBondContact O-OG1 2.87Å; L88-T91 PolarHBondContact O-N 3.47Å; T91-G93 VanDerWaalsContact C-N 3.3Å; T91-G93 PolarHBondContact O-N 3.13Å; T91-I94 CarbonylContact O-C 3.55Å; T91-I94 PolarHBondContact O-N 3.15Å; T91-I94 VanDerWaalsContact O-N 3.15Å; T91-V95 WeakPolarHBondContact O-CG2 3.16Å; T91-V95 PolarHBondContact O-N 3.1Å
92Q79.7Confident74.5Confident23 Ų2375.7 Ų75.711%0.10741%0.405CS..Hα-helixtrans-64.1-36.6174.5-173.163.714.100111.4E39 Y42 Y43 I46 L88 V95 L96E39-Q92 PolarHBondContact OE2-NE2 3.42Å; Y42-Q92 HydrophobicContact CD1-CG 4.03Å; Y42-Q92 HydrophobicContact CE1-CG 4.47Å; Y43-Q92 HydrophobicContact CE1-CB 4.4Å; Y43-Q92 HydrophobicContact CE1-CG 4.2Å; Y43-Q92 HydrophobicContact CE2-CG 4.02Å; I46-Q92 HydrophobicContact CD1-CB 3.96Å; I46-Q92 HydrophobicContact CD1-CG 4.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.35Å; L88-Q92 PolarHBondContact O-N 3.34Å; Q92-V95 PolarHBondContact O-N 2.78Å; Q92-L96 VanDerWaalsContact O-CB 3.28Å; Q92-L96 WeakPolarHBondContact O-CB 3.29Å; Q92-L96 PolarHBondContact O-N 3.28Å
93G76.3Confident72.6Confident21 Ų2172.7 Ų72.722%0.21640%0.397CS..Hα-helixtrans-63.5-38.6171.900000113.1Y43 L89 L90 T91 L96 F97Y43-G93 PolarHBondContact OH-N 3.33Å; L89-G93 PolarHBondContact O-N 2.79Å; L90-G93 CarbonylContact O-C 3.49Å; L90-G93 PolarHBondContact O-N 2.74Å; T91-G93 VanDerWaalsContact C-N 3.3Å; T91-G93 PolarHBondContact O-N 3.13Å; G93-L96 WeakPolarHBondContact O-CB 3.24Å; G93-F97 WeakPolarHBondContact O-CB 3.29Å; G93-F97 WeakPolarHBondContact O-CD2 3.37Å; G93-F97 PolarHBondContact O-N 3.25Å
94I75.9Confident70.9Confident88 Ų8875.7 Ų75.745%0.45141%0.41SS..Hα-helixtrans-68.9-43.1174.8-71162.4000110.6L90 T91 F97 Q98L90-I94 WeakPolarHBondContact O-CB 3.15Å; L90-I94 VanDerWaalsContact O-CG1 3.23Å; L90-I94 WeakPolarHBondContact O-CG1 3.13Å; L90-I94 PolarHBondContact O-N 3.45Å; T91-I94 CarbonylContact O-C 3.55Å; T91-I94 PolarHBondContact O-N 3.15Å; T91-I94 VanDerWaalsContact O-N 3.15Å; I94-F97 CarbonylContact O-C 3.57Å; I94-F97 WeakPolarHBondContact O-CB 3.29Å; I94-F97 PolarHBondContact O-N 2.81Å; I94-Q98 HydrophobicContact CG2-CG 4.23Å; I94-Q98 WeakPolarHBondContact O-CB 3.46Å; I94-Q98 VanDerWaalsContact O-CG 3.3Å; I94-Q98 WeakPolarHBondContact O-CG 3.41Å; I94-Q98 PolarHBondContact O-N 2.94Å
95V72.4Confident69.5Low50 Ų5078.3 Ų78.330%0.30342%0.421SS..Hα-helixtrans-62-44.9173.8170.70000110.3T91 Q92 F97 Q98 D99T91-V95 WeakPolarHBondContact O-CG2 3.16Å; T91-V95 PolarHBondContact O-N 3.1Å; Q92-V95 PolarHBondContact O-N 2.78Å; V95-F97 VanDerWaalsContact C-N 3.26Å; V95-F97 PolarHBondContact O-N 3.05Å; V95-Q98 PolarHBondContact O-N 2.89Å; V95-Q98 VanDerWaalsContact O-N 3.07Å; V95-D99 WeakPolarHBondContact O-CB 3.35Å; V95-D99 PolarHBondContact O-N 2.98Å
96L71Confident67.7Low37 Ų3781.9 Ų81.919%0.19444%0.44CS..Hα-helixtrans-57-41.7173.7-156.991.4000111.6F35 E39 Q92 G93 T100F35-L96 HydrophobicContact CE1-CD1 4.21Å; F35-L96 HydrophobicContact CE2-CD1 4.2Å; F35-L96 HydrophobicContact CZ-CD1 3.49Å; F35-L96 VanDerWaalsContact CZ-CD1 3.49Å; F35-L96 HydrophobicContact CZ-CG 4.02Å; E39-L96 HydrophobicContact CG-CD1 3.62Å; E39-L96 VanDerWaalsContact OE2-CD1 3.31Å; E39-L96 WeakPolarHBondContact OE2-CD1 3.44Å; Q92-L96 VanDerWaalsContact O-CB 3.28Å; Q92-L96 WeakPolarHBondContact O-CB 3.29Å; Q92-L96 PolarHBondContact O-N 3.28Å; G93-L96 WeakPolarHBondContact O-CB 3.24Å; L96-T100 WeakPolarHBondContact O-CB 3.39Å; L96-T100 PolarHBondContact O-N 3.07Å; L96-T100 PolarHBondContact O-OG1 2.9Å
97F62.2Low66Low87 Ų8784.6 Ų84.638%0.38246%0.461SS..Hα-helixtrans-70.6-35175.1-94.6-124000112.4G93 I94 V95 V103 L106G93-F97 WeakPolarHBondContact O-CB 3.29Å; G93-F97 WeakPolarHBondContact O-CD2 3.37Å; G93-F97 PolarHBondContact O-N 3.25Å; I94-F97 CarbonylContact O-C 3.57Å; I94-F97 WeakPolarHBondContact O-CB 3.29Å; I94-F97 PolarHBondContact O-N 2.81Å; V95-F97 VanDerWaalsContact C-N 3.26Å; V95-F97 PolarHBondContact O-N 3.05Å; F97-V103 HydrophobicContact CB-CG2 3.65Å; F97-V103 HydrophobicContact CD1-CB 3.91Å; F97-V103 HydrophobicContact CD1-CG1 3.67Å; F97-V103 HydrophobicContact CD1-CG2 3.42Å; F97-V103 VanDerWaalsContact CD1-CG2 3.42Å; F97-V103 HydrophobicContact CE1-CB 4.35Å; F97-V103 HydrophobicContact CE1-CG1 4.04Å; F97-V103 HydrophobicContact CE1-CG2 4.26Å; F97-V103 HydrophobicContact CG-CG2 3.8Å; F97-V103 WeakPolarHBondContact O-CG2 3.43Å; F97-L106 HydrophobicContact CZ-CD1 4.12Å
98Q61.2Low64.3Low146 Ų14689.2 Ų89.268%0.68248%0.482SS*.Hα-helixtrans-76.2-41.3-179.8-76.2175.6-14.600112.1I94 V95I94-Q98 HydrophobicContact CG2-CG 4.23Å; I94-Q98 WeakPolarHBondContact O-CB 3.46Å; I94-Q98 VanDerWaalsContact O-CG 3.3Å; I94-Q98 WeakPolarHBondContact O-CG 3.41Å; I94-Q98 PolarHBondContact O-N 2.94Å; V95-Q98 PolarHBondContact O-N 2.89Å; V95-Q98 VanDerWaalsContact O-N 3.07Å
99D61.1Low62.8Low139 Ų13987.2 Ų87.274%0.74348%0.48SS*.Hα-helixtrans-86-20.4-177.4-72.3-19.6000113.4V95V95-D99 WeakPolarHBondContact O-CB 3.35Å; V95-D99 PolarHBondContact O-N 2.98Å
100T56.4Low61.2Low30 Ų3091.6 Ų91.618%0.18450%0.503CS..SBendtrans-107.2130.9169.972.80000112.2F35 L96 L102F35-T100 HydrophobicContact CE2-CG2 3.82Å; F35-T100 HydrophobicContact CZ-CG2 3.58Å; L96-T100 WeakPolarHBondContact O-CB 3.39Å; L96-T100 PolarHBondContact O-N 3.07Å; L96-T100 PolarHBondContact O-OG1 2.9Å; T100-L102 PolarHBondContact O-N 3.2Å
101S52.5Low59.5Low120 Ų12094.7 Ų94.784%0.83951%0.513SS*.THydrogen-bonded Turntrans-68.723.9-179.443.20000115.2
102L51.8Low58Low93 Ų9399.4 Ų99.449%0.48753%0.527SS..THydrogen-bonded Turntrans-85.7-17.6-176.5-90155.7000114.6T100 Y104 V105T100-L102 PolarHBondContact O-N 3.2Å; L102-Y104 PolarHBondContact O-N 3.29Å; L102-V105 PolarHBondContact O-N 3.05Å
103V49.5Very low56.2Low60 Ų60108.2 Ų108.236%0.36456%0.56SS.*Hα-helixtrans-56.5-35.2-178.4-167.70000112.9F97 V105F97-V103 HydrophobicContact CB-CG2 3.65Å; F97-V103 HydrophobicContact CD1-CB 3.91Å; F97-V103 HydrophobicContact CD1-CG1 3.67Å; F97-V103 HydrophobicContact CD1-CG2 3.42Å; F97-V103 VanDerWaalsContact CD1-CG2 3.42Å; F97-V103 HydrophobicContact CE1-CB 4.35Å; F97-V103 HydrophobicContact CE1-CG1 4.04Å; F97-V103 HydrophobicContact CE1-CG2 4.26Å; F97-V103 HydrophobicContact CG-CG2 3.8Å; F97-V103 WeakPolarHBondContact O-CG2 3.43Å; V103-V105 PolarHBondContact O-N 3.34Å; V103-V105 VanDerWaalsContact O-N 3.1Å
104Y49.4Very low54.6Low222 Ų222111.8 Ų111.887%0.87158%0.578SS**Hα-helixtrans-65.2-9.1178.5-91.2-83.3000114.2L102L102-Y104 PolarHBondContact O-N 3.29Å
105V53.7Low52.5Low101 Ų101112 Ų11261%0.61259%0.593SS**Hα-helixtrans-110.1-31.4-173.2-174.30000113.2L102 V103L102-V105 PolarHBondContact O-N 3.05Å; V103-V105 PolarHBondContact O-N 3.34Å; V103-V105 VanDerWaalsContact O-N 3.1Å
106L51.1Low50.5Low86 Ų86114.5 Ų114.545%0.4561%0.612SS.*Hα-helixtrans-91.3-20.9-169.8-81.1165.3000115.6F97 L108 A109F97-L106 HydrophobicContact CZ-CD1 4.12Å; L106-L108 PolarHBondContact O-N 2.89Å; L106-A109 PolarHBondContact O-N 3.36Å; L106-A109 VanDerWaalsContact O-N 3.16Å
107S48.6Very low48.7Very low102 Ų102119 Ų11971%0.71364%0.641SS**THydrogen-bonded Turntrans-62.2-11.9-178.857.70000115
108L48.7Very low47.1Very low150 Ų150122.4 Ų122.479%0.78566%0.662SS**THydrogen-bonded Turntrans-95.5-12.8179.8-134.178.8000114.6L106L106-L108 PolarHBondContact O-N 2.89Å
109A51.9Low45.7Very low58 Ų58118.7 Ų118.748%0.47966%0.662SS.*THydrogen-bonded Turntrans-96.5-43.7-164.100000114.9L106 F111L106-A109 PolarHBondContact O-N 3.36Å; L106-A109 VanDerWaalsContact O-N 3.16Å; A109-F111 PolarHBondContact O-N 3.28Å
110D48.7Very low44.2Very low134 Ų134118.8 Ų118.872%0.71766%0.659SS**G310 helixtrans-80.2-15.1-171.6-82.8-25.2000114.5F112 R113D110-F112 PolarHBondContact O-N 3.12Å; D110-R113 PolarHBondContact O-N 2.9Å
111F47.2Very low43Very low172 Ų172127.2 Ų127.275%0.75469%0.687SS**G310 helixtrans-57.6-23.3177.5178-103.9000113.9A109A109-F111 PolarHBondContact O-N 3.28Å
112F47.8Very low41.9Very low169 Ų169128.5 Ų128.574%0.74169%0.685SS**G310 helixtrans-106.7-9-177.2-81.3-67.7000115.6D110 T114D110-F112 PolarHBondContact O-N 3.12Å; F112-T114 PolarHBondContact O-N 3.15Å
113R41.8Very low40.8Very low207 Ų207126.3 Ų126.378%0.78168%0.684SS**SBendtrans-92.671.8-165.8-155.3173.6178.6179.4-2.9114.8D110D110-R113 PolarHBondContact O-N 2.9Å
114T43Very low39.9Very low97 Ų97129.9 Ų129.960%0.59571%0.706SS**  trans67.483.8133.9-42.20000113.5F112F112-T114 PolarHBondContact O-N 3.15Å
115A31.5Very low38.8Very low93 Ų93127.8 Ų127.877%0.76970%0.704SS**  40.2109.556.500000112.4
116S32.1Very low37.5Very low101 Ų101133.9 Ų133.971%0.70672%0.716SS**  trans82.3141.7-17399.20000115
117T32.8Very low36.3Very low131 Ų131135.8 Ų135.880%0.80473%0.731SS**  cis-151.9161.39.3-310000113
118I28.1Very low35.2Very low159 Ų159136.9 Ų136.982%0.81573%0.733SS**  trans-84.1157.3176.1-67.6155.2000112.4
119G32.2Very low34.1Very low68 Ų68136.6 Ų136.670%0.70174%0.737SS**  trans161.7107.7154.700000112.4
120E30.1Very low32.8Very low142 Ų142137.4 Ų137.466%0.66475%0.752SS**  86.7130.964.5-94.5-164.1-156.100117.3
121R29.6Very low31.6Very low207 Ų207139.9 Ų139.978%0.78176%0.759SS**  trans72.4156.5161.1-64174.5-144.6-147.90.2117.8
122D29.8Very low30.6Very low147 Ų147139.5 Ų139.579%0.78676%0.764SS**  cis-157.3179.6-13.8-117.7-50000108
123G30Very low29.6Very low46 Ų46138 Ų13847%0.47476%0.763SS.*  cis161.7162.3-3.200000112.3
124T28.8Very low28.7Very low135 Ų135135.6 Ų135.683%0.82876%0.761SS**  trans66.6154.6166.860.70000119.5
125Q28.1Very low28Very low178 Ų178139.9 Ų139.983%0.83277%0.771SS**  cis-157.2172.81.8-127.1172.823.500114.3
126R25.5Very low27.8Very low230 Ų230144 Ų14487%0.86877%0.771SS**  trans-52.9169.9-176.8-60.1164167.8170.5-6.4117.1
127V26.1Very low28.2Very low126 Ų126146.8 Ų146.876%0.76478%0.778SS**  -168.514158.7165.80000113.6
128V25Very low29.4Very low124 Ų124143.3 Ų143.375%0.75276%0.76SS**  trans0.5146.9147.5-148.30000118.1
129V25.4Very low31.9Very low144 Ų144139.3 Ų139.387%0.87374%0.739SS**  -166.9162.852.3-154.50000113.4
130G25.8Very low34.7Very low76 Ų76136.4 Ų136.478%0.78471%0.708SS**  trans142.3124.414700000118.7
131Q23Very low37.6Very low186 Ų186129.7 Ų129.787%0.86968%0.676SS**  trans-109.1153171.9-62.4167.9-56.400111
132L25.8Very low40.6Very low164 Ų164121.2 Ų121.286%0.85965%0.647SS**  164.9156.2120.1-88.9162.2000115.2
133L26.6Very low43.7Very low138 Ų138114.3 Ų114.372%0.72361%0.611SS**  trans-70.9158.3-169-68.7155.4000117.1
134E24.4Very low46.6Very low156 Ų156118.2 Ų118.273%0.72961%0.614SS**  trans44.1125.1140.4-62.3176.6-174.200122.2
135K26.5Very low49.6Very low186 Ų186116.1 Ų116.181%0.80960%0.598SS**  -170.7171.293.9-103178.5-177.3175.60113.9
136K28.7Very low52.7Low179 Ų179107.6 Ų107.678%0.77856%0.558SS**  trans-60.3169.9-167.6-66.6177.5162.5-174.20117.4
137D38.9Very low55.9Low160 Ų16096.7 Ų96.786%0.85652%0.517SS*.  trans77.139156.7-48.1-33.8000118.8
138S59.5Low59Low59 Ų5990.8 Ų90.841%0.41348%0.481SS..  trans-110.5140.916869.20000113.1K165S138-K165 PolarHBondContact O-N 2.85Å; S138-K165 VanDerWaalsContact O-N 3.16Å
139I80.7Confident62.1Low75 Ų7588.8 Ų88.839%0.38546%0.46SS..EExtended strand (participates in β ladder)trans-64.5132.8167.4-60.1156.3000108.5I141 T142 E162I139-I141 WeakPolarHBondContact CG2-O 3.39Å; I139-T142 WeakPolarHBondContact CG2-OG1 3.44Å; I139-E162 VanDerWaalsContact CD1-OE2 3.27Å; I139-E162 WeakPolarHBondContact CD1-OE2 3Å; I139-E162 HydrophobicContact CG2-CB 4.07Å; I139-E162 HydrophobicContact CG2-CG 4.34Å
140M89.5Confident65Low7 Ų786.7 Ų86.73%0.03444%0.437CS..EExtended strand (participates in β ladder)trans-98.2-38.2-177.1-177.960.272.300112.1V163 K165 V199 D200 I295 A296 T327M140-V163 WeakPolarHBondContact CA-O 3.37Å; M140-V163 WeakPolarHBondContact CB-O 3.41Å; M140-V163 PolarHBondContact N-O 3.13Å; M140-K165 HydrophobicContact CB-CB 4.46Å; M140-K165 HydrophobicContact CE-CB 4.03Å; M140-K165 HydrophobicContact CE-CD 3.94Å; M140-K165 HydrophobicContact CE-CG 3.76Å; M140-V199 CarbonylContact O-C 3.44Å; M140-V199 WeakPolarHBondContact O-CA 3.42Å; M140-D200 PolarHBondContact O-N 3.41Å; M140-D200 HydrophobicContact SD-CB 4.06Å; M140-I295 HydrophobicContact CE-CB 4.26Å; M140-I295 HydrophobicContact SD-CB 4.25Å; M140-I295 HydrophobicContact SD-CD1 3.74Å; M140-I295 HydrophobicContact SD-CG1 4.06Å; M140-A296 HydrophobicContact CG-CB 4.26Å; M140-T327 HydrophobicContact CB-CG2 4.08Å; M140-T327 HydrophobicContact CG-CG2 3.97Å
141I92.2Very high67.8Low0 Ų086.2 Ų86.20%043%0.432CS..EExtended strand (participates in β ladder)trans-132.7134.6178.4-52167.2000108.2I139 L143 E162 V163 V186 T198 V199 A296 L298I139-I141 WeakPolarHBondContact CG2-O 3.39Å; I141-L143 HydrophobicContact CG2-CD1 3.79Å; I141-E162 CarbonylContact O-C 3.55Å; I141-E162 WeakPolarHBondContact O-CA 3.41Å; I141-V163 HydrophobicContact CB-CB 3.97Å; I141-V163 HydrophobicContact CB-CG2 4.12Å; I141-V163 HydrophobicContact CD1-CB 4.19Å; I141-V163 HydrophobicContact CD1-CG2 4.24Å; I141-V163 HydrophobicContact CG1-CB 4.33Å; I141-V163 PolarHBondContact N-O 2.94Å; I141-V163 PolarHBondContact O-N 3.37Å; I141-V186 HydrophobicContact CD1-CG1 4.08Å; I141-V186 HydrophobicContact CG1-CG1 4.42Å; I141-V186 HydrophobicContact CG2-CG1 3.74Å; I141-V186 HydrophobicContact CG2-CG2 4.27Å; I141-T198 CarbonylContact C-O 3.53Å; I141-T198 WeakPolarHBondContact CA-O 3.24Å; I141-V199 HydrophobicContact CG1-CG1 4.46Å; I141-V199 HydrophobicContact CG1-CG2 4.34Å; I141-V199 HydrophobicContact CG2-CG2 4.18Å; I141-A296 HydrophobicContact CD1-CB 4.28Å; I141-L298 HydrophobicContact CD1-CD2 4.34Å
142T92.9Very high70.7Confident29 Ų2987 Ų8718%0.17844%0.436CS..EExtended strand (participates in β ladder)trans-129.9130.8170.8-57.60000109.3I139 E162 I197 T198I139-T142 WeakPolarHBondContact CG2-OG1 3.44Å; T142-E162 HydrophobicContact CG2-CG 4.01Å; T142-I197 CarbonylContact O-C 3.57Å; T142-I197 WeakPolarHBondContact O-CA 3.37Å; T142-T198 PolarHBondContact N-O 2.81Å; T142-T198 PolarHBondContact O-N 3.19Å
143L93.5Very high73.6Confident3 Ų386.2 Ų86.22%0.01643%0.426CS..EExtended strand (participates in β ladder)trans-114130.5167.1-65.293.2000107.5I141 V146 S160 T161 L182 V186 I197I141-L143 HydrophobicContact CG2-CD1 3.79Å; L143-V146 HydrophobicContact CB-CG2 3.87Å; L143-V146 HydrophobicContact CD2-CG2 4.26Å; L143-V146 HydrophobicContact CG-CG2 4.41Å; L143-S160 CarbonylContact O-C 3.49Å; L143-S160 VanDerWaalsContact O-CA 3.23Å; L143-S160 WeakPolarHBondContact O-CA 3.45Å; L143-T161 HydrophobicContact CB-CG2 4.32Å; L143-T161 HydrophobicContact CD1-CG2 3.74Å; L143-T161 PolarHBondContact N-O 3.26Å; L143-T161 PolarHBondContact O-N 2.95Å; L143-L182 HydrophobicContact CD2-CD1 3.59Å; L143-L182 HydrophobicContact CD2-CG 4.15Å; L143-V186 HydrophobicContact CD1-CG2 3.99Å; L143-V186 HydrophobicContact CD2-CG2 3.98Å; L143-V186 HydrophobicContact CG-CG2 4.31Å; L143-I197 HydrophobicContact CD2-CD1 4.42Å; L143-I197 HydrophobicContact CD2-CG1 4.47Å; L143-I197 HydrophobicContact CG-CG1 4.34Å
144K92.3Very high76.6Confident128 Ų12883.9 Ų83.956%0.55741%0.411SS*.EExtended strand (participates in β ladder)trans-134.3111.5-177.5-173.5174.3-177.3174.60110.9V146 G195 E196K144-V146 VanDerWaalsContact C-N 3.29Å; K144-V146 PolarHBondContact O-N 2.93Å; K144-G195 CarbonylContact O-C 3.45Å; K144-G195 WeakPolarHBondContact O-CA 3.3Å; K144-E196 PolarHBondContact N-O 3.5Å; K144-E196 PolarHBondContact O-N 3Å
145N91.6Very high79.8Confident90 Ų9077.3 Ų77.348%0.48138%0.381SS..EExtended strand (participates in β ladder)trans49.645.7-179.1-57.1-12.7000112.8S147 C159 S160 G195N145-S147 PolarHBondContact O-N 3.12Å; N145-C159 PolarHBondContact N-O 2.95Å; N145-S160 PolarHBondContact N-OG 2.95Å; N145-S160 PolarHBondContact OD1-OG 2.86Å; N145-S160 VanDerWaalsContact OD1-OG 3.12Å; N145-G195 WeakPolarHBondContact O-CA 3.44Å; N145-G195 PolarHBondContact O-N 3.45Å
146V92.8Very high83Confident0 Ų068.4 Ų68.40%034%0.343CS..EExtended strand (participates in β ladder)trans-77116.9-173.7177.30000110.6L143 K144 L156 D158 C159 V192 I197L143-V146 HydrophobicContact CB-CG2 3.87Å; L143-V146 HydrophobicContact CD2-CG2 4.26Å; L143-V146 HydrophobicContact CG-CG2 4.41Å; K144-V146 VanDerWaalsContact C-N 3.29Å; K144-V146 PolarHBondContact O-N 2.93Å; V146-L156 HydrophobicContact CG1-CD1 4.31Å; V146-D158 PolarHBondContact O-N 2.64Å; V146-C159 HydrophobicContact CB-CB 4.36Å; V146-C159 WeakPolarHBondContact CB-O 3.44Å; V146-C159 PolarHBondContact N-O 3.2Å; V146-C159 PolarHBondContact O-N 3.48Å; V146-V192 HydrophobicContact CG1-CB 4.32Å; V146-V192 HydrophobicContact CG1-CG1 3.69Å; V146-I197 HydrophobicContact CG1-CD1 4.14Å; V146-I197 HydrophobicContact CG1-CG1 4.46Å; V146-I197 HydrophobicContact CG2-CD1 4.17Å; V146-I197 HydrophobicContact CG2-CG1 3.61Å
147S92.3Very high86Confident0 Ų061.4 Ų61.40%032%0.315CS..EExtended strand (participates in β ladder)trans-125.9135.5178.6-80.10000110.8N145 L156 T157 D158 Q193 Q194N145-S147 PolarHBondContact O-N 3.12Å; S147-L156 VanDerWaalsContact CA-O 3.32Å; S147-L156 WeakPolarHBondContact CA-O 3.14Å; S147-T157 WeakPolarHBondContact OG-CA 3.34Å; S147-D158 PolarHBondContact OG-N 2.92Å; S147-D158 PolarHBondContact OG-OD1 3.14Å; S147-Q193 PolarHBondContact O-N 2.83Å; S147-Q194 PolarHBondContact N-O 2.93Å; S147-Q194 VanDerWaalsContact N-O 3.09Å; S147-Q194 PolarHBondContact O-N 3.45Å
148K91.7Very high88.5Confident3 Ų358.1 Ų58.11%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-144.6138-174.5179173.8165.373.70112.6Y150 V155 L156 T181 T185 E190 P191 Q193K148-Y150 WeakPolarHBondContact CE-OH 3.29Å; K148-V155 PolarHBondContact O-N 3.22Å; K148-L156 HydrophobicContact CB-CB 4.07Å; K148-L156 HydrophobicContact CB-CD1 4.13Å; K148-L156 HydrophobicContact CB-CG 4.27Å; K148-L156 PolarHBondContact N-O 2.8Å; K148-L156 PolarHBondContact O-N 3.06Å; K148-L156 VanDerWaalsContact O-N 3.12Å; K148-T181 HydrophobicContact CD-CG2 3.56Å; K148-T181 HydrophobicContact CG-CG2 4.49Å; K148-T185 HydrophobicContact CD-CG2 3.75Å; K148-E190 HydrophobicContact CD-CB 4.43Å; K148-E190 WeakPolarHBondContact CE-OE2 3.39Å; K148-E190 IonicContact NZ-OE2 3.17Å; K148-E190 PolarHBondContact NZ-OE2 3.2Å; K148-P191 WeakPolarHBondContact CD-O 3.4Å; K148-P191 PolarHBondContact NZ-O 2.81Å; K148-Q193 VanDerWaalsContact CA-OE1 3.3Å
149W91Very high90.1Very high82 Ų8255.3 Ų55.331%0.31128%0.278SS..EExtended strand (participates in β ladder)trans-134.3149.7177.94997000113F153 Q154 Q193 Q194W149-F153 CarbonylContact C-O 3.5Å; W149-F153 WeakPolarHBondContact CA-O 3.37Å; W149-F153 VanDerWaalsContact CB-O 3.31Å; W149-F153 WeakPolarHBondContact CB-O 3.43Å; W149-Q154 HydrophobicContact CB-CB 4.45Å; W149-Q193 HydrophobicContact CD2-CB 4.06Å; W149-Q193 HydrophobicContact CD2-CG 4.13Å; W149-Q193 HydrophobicContact CE3-CB 4.11Å; W149-Q193 HydrophobicContact CH2-CB 3.32Å; W149-Q193 HydrophobicContact CH2-CG 4.29Å; W149-Q193 HydrophobicContact CZ2-CB 3.22Å; W149-Q193 HydrophobicContact CZ2-CG 3.73Å; W149-Q193 HydrophobicContact CZ3-CB 3.76Å; W149-Q193 VanDerWaalsContact N-OE1 3.17Å; W149-Q193 PolarHBondContact O-NE2 3.04Å; W149-Q194 HydrophobicContact CH2-CB 4.49Å; W149-Q194 HydrophobicContact CH2-CG 3.95Å; W149-Q194 HydrophobicContact CZ3-CB 4.43Å; W149-Q194 HydrophobicContact CZ3-CG 4.3Å
150Y84.6Confident90.7Very high99 Ų9954.1 Ų54.139%0.38828%0.276SS..EExtended strand (participates in β ladder)trans-114.2113.3169-59.6-83000108.8K148 H152 F153 V155 T181 E190K148-Y150 WeakPolarHBondContact CE-OH 3.29Å; Y150-H152 PolarHBondContact O-N 3.14Å; Y150-H152 VanDerWaalsContact O-N 3.13Å; Y150-F153 PolarHBondContact N-O 3.28Å; Y150-F153 PolarHBondContact O-N 3.47Å; Y150-V155 HydrophobicContact CD2-CB 4.4Å; Y150-V155 HydrophobicContact CD2-CG2 3.62Å; Y150-V155 HydrophobicContact CE2-CB 4.32Å; Y150-V155 HydrophobicContact CE2-CG2 3.89Å; Y150-T181 HydrophobicContact CE2-CG2 4.35Å; Y150-E190 WeakPolarHBondContact CE1-OE2 3.5Å; Y150-E190 VanDerWaalsContact OH-CD 3.28Å; Y150-E190 PolarHBondContact OH-OE2 3.43Å
151G85.4Confident90.8Very high66 Ų6654.2 Ų54.268%0.6828%0.277SS*.THydrogen-bonded Turntrans60.8-115.5-169.800000110.6
152H84.1Confident90.8Very high204 Ų20458.2 Ų58.294%0.94430%0.296SS*.THydrogen-bonded Turntrans-99.1-6.8176.3-61.4-69.5000114.1Y150Y150-H152 PolarHBondContact O-N 3.14Å; Y150-H152 VanDerWaalsContact O-N 3.13Å
153F87.3Confident90.8Very high147 Ų14756.9 Ų56.965%0.64529%0.287SS*.EExtended strand (participates in β ladder)trans-92.2120.3-176.4-174.4-114000110.9W149 Y150 V155W149-F153 CarbonylContact C-O 3.5Å; W149-F153 WeakPolarHBondContact CA-O 3.37Å; W149-F153 VanDerWaalsContact CB-O 3.31Å; W149-F153 WeakPolarHBondContact CB-O 3.43Å; Y150-F153 PolarHBondContact N-O 3.28Å; Y150-F153 PolarHBondContact O-N 3.47Å; F153-V155 HydrophobicContact CD1-CG2 3.53Å; F153-V155 HydrophobicContact CE1-CG2 3.65Å
154Q88.8Confident90.6Very high89 Ų8962.1 Ų62.142%0.41631%0.31SS..EExtended strand (participates in β ladder)trans-88.5120.3178.2-175.1165.8-9.400110W149 L156 T157W149-Q154 HydrophobicContact CB-CB 4.45Å; Q154-L156 WeakPolarHBondContact CG-O 3.26Å; Q154-L156 PolarHBondContact NE2-O 3.02Å; Q154-T157 PolarHBondContact NE2-OG1 2.95Å; Q154-T157 VanDerWaalsContact NE2-OG1 3.12Å
155V91.3Very high90.5Very high17 Ų1762.3 Ų62.310%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-104.3-28.5-175.1176.40000112.3K148 Y150 F153 T181 G351K148-V155 PolarHBondContact O-N 3.22Å; Y150-V155 HydrophobicContact CD2-CB 4.4Å; Y150-V155 HydrophobicContact CD2-CG2 3.62Å; Y150-V155 HydrophobicContact CE2-CB 4.32Å; Y150-V155 HydrophobicContact CE2-CG2 3.89Å; F153-V155 HydrophobicContact CD1-CG2 3.53Å; F153-V155 HydrophobicContact CE1-CG2 3.65Å; V155-T181 HydrophobicContact CG1-CG2 3.99Å; V155-G351 WeakPolarHBondContact O-CA 3.4Å
156L93.9Very high90.3Very high0 Ų059.3 Ų59.30%030%0.301CS..EExtended strand (participates in β ladder)trans-125.9138.1172.3-59.6177.3000109.4V146 S147 K148 Q154 T181 L182 T185 M348 G351V146-L156 HydrophobicContact CG1-CD1 4.31Å; S147-L156 VanDerWaalsContact CA-O 3.32Å; S147-L156 WeakPolarHBondContact CA-O 3.14Å; K148-L156 HydrophobicContact CB-CB 4.07Å; K148-L156 HydrophobicContact CB-CD1 4.13Å; K148-L156 HydrophobicContact CB-CG 4.27Å; K148-L156 PolarHBondContact N-O 2.8Å; K148-L156 PolarHBondContact O-N 3.06Å; K148-L156 VanDerWaalsContact O-N 3.12Å; Q154-L156 WeakPolarHBondContact CG-O 3.26Å; Q154-L156 PolarHBondContact NE2-O 3.02Å; L156-T181 HydrophobicContact CD1-CG2 4Å; L156-T181 HydrophobicContact CG-CG2 4.14Å; L156-L182 HydrophobicContact CD1-CB 4.43Å; L156-L182 HydrophobicContact CD1-CD1 4.03Å; L156-L182 HydrophobicContact CD2-CB 4.08Å; L156-L182 HydrophobicContact CD2-CD1 4.22Å; L156-T185 HydrophobicContact CD1-CG2 4.33Å; L156-M348 HydrophobicContact CD2-CE 3.66Å; L156-G351 CarbonylContact C-O 3.58Å; L156-G351 WeakPolarHBondContact CA-O 3.25Å
157T92.1Very high90.2Very high31 Ų3160.1 Ų60.119%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-134.8104.2-177.1-54.20000109.5S147 Q154 C159 G351 K352S147-T157 WeakPolarHBondContact OG-CA 3.34Å; Q154-T157 PolarHBondContact NE2-OG1 2.95Å; Q154-T157 VanDerWaalsContact NE2-OG1 3.12Å; T157-C159 PolarHBondContact O-N 3.21Å; T157-C159 VanDerWaalsContact O-N 3.11Å; T157-G351 PolarHBondContact N-O 3.45Å; T157-K352 HydrophobicContact CG2-CG 4.21Å
158D90.9Very high90.3Very high91 Ų9160.3 Ų60.349%0.48731%0.306SS..EExtended strand (participates in β ladder)trans54.428.9171.3-54.9-36.6000115.2V146 S147 S160V146-D158 PolarHBondContact O-N 2.64Å; S147-D158 PolarHBondContact OG-N 2.92Å; S147-D158 PolarHBondContact OG-OD1 3.14Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-OG 3.2Å
159C92.3Very high90.4Very high1 Ų160.1 Ų60.11%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-59.1123.4-178.6-540000110.9N145 V146 T157 L182 G351 I353N145-C159 PolarHBondContact N-O 2.95Å; V146-C159 HydrophobicContact CB-CB 4.36Å; V146-C159 WeakPolarHBondContact CB-O 3.44Å; V146-C159 PolarHBondContact N-O 3.2Å; V146-C159 PolarHBondContact O-N 3.48Å; T157-C159 PolarHBondContact O-N 3.21Å; T157-C159 VanDerWaalsContact O-N 3.11Å; C159-L182 HydrophobicContact CB-CD1 3.76Å; C159-G351 PolarHBondContact SG-O 2.93Å; C159-I353 HydrophobicContact CB-CD1 3.97Å; C159-I353 HydrophobicContact CB-CG1 4.18Å
160S93.4Very high90.5Very high50 Ų5056.2 Ų56.235%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-132.8130.5176.9-57.90000110L143 N145 D158L143-S160 CarbonylContact O-C 3.49Å; L143-S160 VanDerWaalsContact O-CA 3.23Å; L143-S160 WeakPolarHBondContact O-CA 3.45Å; N145-S160 PolarHBondContact N-OG 2.95Å; N145-S160 PolarHBondContact OD1-OG 2.86Å; N145-S160 VanDerWaalsContact OD1-OG 3.12Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-OG 3.2Å
161T92.7Very high91Very high8 Ų851.6 Ų51.65%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-166.2164.6175.9-174.70000110.4L143 R344 I346 I353 D356L143-T161 HydrophobicContact CB-CG2 4.32Å; L143-T161 HydrophobicContact CD1-CG2 3.74Å; L143-T161 PolarHBondContact N-O 3.26Å; L143-T161 PolarHBondContact O-N 2.95Å; T161-R344 PolarHBondContact OG1-NH2 3.39Å; T161-I346 HydrophobicContact CG2-CD1 3.89Å; T161-I346 WeakPolarHBondContact OG1-CD1 3.06Å; T161-I353 HydrophobicContact CG2-CD1 4.01Å; T161-D356 VanDerWaalsContact CB-OD2 3.26Å; T161-D356 WeakPolarHBondContact CB-OD2 3.19Å; T161-D356 PolarHBondContact OG1-OD2 3.1Å
162E92Very high91.2Very high85 Ų8549 Ų4940%0.39724%0.244SC..EExtended strand (participates in β ladder)trans-132.9135.9178.1-68-177.1168.100110I139 I141 T142 R344I139-E162 VanDerWaalsContact CD1-OE2 3.27Å; I139-E162 WeakPolarHBondContact CD1-OE2 3Å; I139-E162 HydrophobicContact CG2-CB 4.07Å; I139-E162 HydrophobicContact CG2-CG 4.34Å; I141-E162 CarbonylContact O-C 3.55Å; I141-E162 WeakPolarHBondContact O-CA 3.41Å; T142-E162 HydrophobicContact CG2-CG 4.01Å; E162-R344 PolarHBondContact O-NH1 2.88Å; E162-R344 PolarHBondContact O-NH2 3.06Å
163V92.5Very high91.2Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-114.6121.2173.2-170.70000108.6M140 I141 E167 V169 T327M140-V163 WeakPolarHBondContact CA-O 3.37Å; M140-V163 WeakPolarHBondContact CB-O 3.41Å; M140-V163 PolarHBondContact N-O 3.13Å; I141-V163 HydrophobicContact CB-CB 3.97Å; I141-V163 HydrophobicContact CB-CG2 4.12Å; I141-V163 HydrophobicContact CD1-CB 4.19Å; I141-V163 HydrophobicContact CD1-CG2 4.24Å; I141-V163 HydrophobicContact CG1-CB 4.33Å; I141-V163 PolarHBondContact N-O 2.94Å; I141-V163 PolarHBondContact O-N 3.37Å; V163-E167 WeakPolarHBondContact CA-OE2 3.42Å; V163-E167 HydrophobicContact CG1-CB 4.13Å; V163-V169 HydrophobicContact CB-CG2 4.43Å; V163-V169 HydrophobicContact CG1-CG2 3.9Å; V163-V169 HydrophobicContact CG2-CB 4.44Å; V163-V169 HydrophobicContact CG2-CG2 4.06Å; V163-T327 HydrophobicContact CG1-CG2 3.74Å
164K90.3Very high91.1Very high113 Ų11335.3 Ų35.349%0.49119%0.189SC..EExtended strand (participates in β ladder)trans-80.2157.7178.1-61.6167-171.6160.70110.9G166 E167 T327K164-G166 PolarHBondContact O-N 2.84Å; K164-E167 HydrophobicContact CB-CB 4.05Å; K164-E167 PolarHBondContact N-OE2 3.18Å; K164-E167 VanDerWaalsContact O-CB 3.23Å; K164-E167 WeakPolarHBondContact O-CB 3.29Å; K164-E167 PolarHBondContact O-N 3.27Å; K164-T327 VanDerWaalsContact O-CG2 3.26Å; K164-T327 WeakPolarHBondContact O-CG2 3.01Å
165K89.4Confident90.8Very high133 Ų13336.1 Ų36.158%0.57821%0.205SC*.THydrogen-bonded Turntrans-61.6123.1175.6-176.5174.4179.6177.10111.1S138 M140 E167S138-K165 PolarHBondContact O-N 2.85Å; S138-K165 VanDerWaalsContact O-N 3.16Å; M140-K165 HydrophobicContact CB-CB 4.46Å; M140-K165 HydrophobicContact CE-CB 4.03Å; M140-K165 HydrophobicContact CE-CD 3.94Å; M140-K165 HydrophobicContact CE-CG 3.76Å; K165-E167 VanDerWaalsContact C-N 3.32Å
166G87.8Confident90.4Very high27 Ų2739 Ų3928%0.27824%0.238SC..THydrogen-bonded Turntrans80.76.7-175.700000114.8K164 G325 T327K164-G166 PolarHBondContact O-N 2.84Å; G166-G325 WeakPolarHBondContact CA-O 3.37Å; G166-T327 PolarHBondContact N-OG1 2.64Å
167E91.4Very high90.2Very high17 Ų1739.3 Ų39.38%0.07924%0.24CC..  trans-84.5137.9174.5-163.9174.5-139.500110.3V163 K164 K165 V169 M328 N343 R344V163-E167 WeakPolarHBondContact CA-OE2 3.42Å; V163-E167 HydrophobicContact CG1-CB 4.13Å; K164-E167 HydrophobicContact CB-CB 4.05Å; K164-E167 PolarHBondContact N-OE2 3.18Å; K164-E167 VanDerWaalsContact O-CB 3.23Å; K164-E167 WeakPolarHBondContact O-CB 3.29Å; K164-E167 PolarHBondContact O-N 3.27Å; K165-E167 VanDerWaalsContact C-N 3.32Å; E167-V169 HydrophobicContact CG-CG2 3.96Å; E167-M328 PolarHBondContact O-N 3.26Å; E167-N343 WeakPolarHBondContact CA-OD1 3.41Å; E167-N343 HydrophobicContact CG-CB 3.9Å; E167-R344 WeakPolarHBondContact OE1-CD 3.16Å; E167-R344 IonicContact OE1-NH1 3.46Å; E167-R344 PolarHBondContact OE1-NH1 3.34Å; E167-R344 IonicContact OE2-NH1 2.97Å; E167-R344 PolarHBondContact OE2-NH1 2.91Å
168V93.4Very high90Very high3 Ų338.2 Ų38.22%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-104.9111.2173.2-1780000108.1A322 M328 V341 N343 R344V168-A322 HydrophobicContact CG2-CB 3.88Å; V168-M328 WeakPolarHBondContact CA-O 3.27Å; V168-M328 HydrophobicContact CB-CB 4.43Å; V168-M328 HydrophobicContact CG1-CB 4.14Å; V168-M328 HydrophobicContact CG2-CB 4.2Å; V168-M328 HydrophobicContact CG2-SD 4.25Å; V168-V341 WeakPolarHBondContact CB-O 3.39Å; V168-V341 HydrophobicContact CG1-CG2 4.35Å; V168-N343 PolarHBondContact N-OD1 2.84Å; V168-N343 PolarHBondContact O-N 3.23Å; V168-R344 PolarHBondContact O-N 3.02Å
169V93.8Very high90.1Very high0 Ų034.2 Ų34.20%021%0.213CC..EExtended strand (participates in β ladder)trans-112.1119.1-179.51790000109.3V163 E167 M328 M329 V330 R344 I346V163-V169 HydrophobicContact CB-CG2 4.43Å; V163-V169 HydrophobicContact CG1-CG2 3.9Å; V163-V169 HydrophobicContact CG2-CB 4.44Å; V163-V169 HydrophobicContact CG2-CG2 4.06Å; E167-V169 HydrophobicContact CG-CG2 3.96Å; V169-M328 PolarHBondContact N-O 3.45Å; V169-M329 CarbonylContact O-C 3.46Å; V169-M329 WeakPolarHBondContact O-CA 3.4Å; V169-V330 PolarHBondContact O-N 3.16Å; V169-R344 WeakPolarHBondContact CA-O 3.39Å; V169-R344 HydrophobicContact CG2-CB 4.37Å; V169-I346 HydrophobicContact CG1-CD1 3.46Å; V169-I346 VanDerWaalsContact CG1-CD1 3.46Å; V169-I346 HydrophobicContact CG1-CG1 3.75Å
170V94Very high90Very high0 Ų035.4 Ų35.40%022%0.222CC..EExtended strand (participates in β ladder)trans-93.5136175.1169.30000110V330 T332 F337 A338 A342 R344 V345 I346V170-V330 CarbonylContact C-O 3.59Å; V170-V330 VanDerWaalsContact CA-O 3.28Å; V170-V330 WeakPolarHBondContact CA-O 3.34Å; V170-V330 HydrophobicContact CG2-CB 4.27Å; V170-T332 HydrophobicContact CG1-CG2 3.97Å; V170-F337 HydrophobicContact CG2-CD1 4.27Å; V170-F337 HydrophobicContact CG2-CE1 4.09Å; V170-A338 HydrophobicContact CB-CB 4.26Å; V170-A338 HydrophobicContact CG1-CB 3.98Å; V170-A338 HydrophobicContact CG2-CB 4.03Å; V170-A342 HydrophobicContact CB-CB 4.2Å; V170-A342 HydrophobicContact CG2-CB 3.69Å; V170-R344 PolarHBondContact N-O 3.26Å; V170-V345 CarbonylContact O-C 3.58Å; V170-V345 WeakPolarHBondContact O-CA 3.36Å; V170-I346 PolarHBondContact O-N 2.99Å
171V93.3Very high89.9Confident1 Ų134 Ų341%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-112.7113.3176.1-1740000109.1K179 M329 V330 V331 T332 I346 M348V171-K179 HydrophobicContact CG1-CB 4.18Å; V171-K179 HydrophobicContact CG1-CD 4.49Å; V171-K179 HydrophobicContact CG1-CG 4.25Å; V171-M329 HydrophobicContact CG2-CE 3.76Å; V171-M329 HydrophobicContact CG2-CG 4.19Å; V171-V330 PolarHBondContact N-O 3.1Å; V171-V331 HydrophobicContact CB-CG2 4.24Å; V171-V331 WeakPolarHBondContact O-CA 3.47Å; V171-T332 PolarHBondContact O-N 3.23Å; V171-I346 CarbonylContact C-O 3.59Å; V171-I346 WeakPolarHBondContact CA-O 3.47Å; V171-I346 HydrophobicContact CG1-CG2 4.4Å; V171-I346 HydrophobicContact CG2-CB 4.31Å; V171-M348 HydrophobicContact CG1-CG 3.9Å; V171-M348 HydrophobicContact CG1-SD 3.72Å
172C90.2Very high90Very high13 Ų1333.7 Ų33.79%0.08821%0.209CC..EExtended strand (participates in β ladder)trans-119178.7179.763.50000111.3M335 V345 I346 M348C172-M335 HydrophobicContact CB-CE 4.03Å; C172-V345 WeakPolarHBondContact SG-CG1 3.36Å; C172-I346 PolarHBondContact N-O 2.99Å; C172-M348 PolarHBondContact O-N 3.23Å
173G85.2Confident90Very high6 Ų629.7 Ų29.76%0.06219%0.19CC..  trans126.4172.9-17800000113.5K179 H333 M348G173-K179 PolarHBondContact O-NZ 3.32Å; G173-H333 PolarHBondContact O-CE1 3.24Å; G173-M348 WeakPolarHBondContact CA-O 3.43Å
174P83.5Confident90Very high56 Ų5632.1 Ų32.136%0.36420%0.201SC..  trans-57.9160.5-169.4-27.136.2000115.1G176 S177 K179 M348P174-G176 PolarHBondContact O-N 2.75Å; P174-S177 PolarHBondContact O-N 3.18Å; P174-S177 PolarHBondContact O-OG 3.3Å; P174-S177 VanDerWaalsContact O-OG 3.09Å; P174-K179 PolarHBondContact O-NZ 3.39Å; P174-M348 WeakPolarHBondContact CD-O 3.37Å
175S83Confident90.1Very high107 Ų10726.8 Ų26.875%0.74818%0.177SC*.THydrogen-bonded Turntrans-61.2127.7168.5-72.60000109.9
176G83Confident90.3Very high78 Ų7820.4 Ų20.480%0.80415%0.15SC*.THydrogen-bonded Turntrans91.6-7.8-176.800000116P174 G178P174-G176 PolarHBondContact O-N 2.75Å; G176-G178 PolarHBondContact O-N 3.17Å
177S89.2Confident90.4Very high6 Ų619.1 Ų19.14%0.04214%0.137CC..SBendtrans-69.66-176.972.30000116.4P174 K179 M348 G351P174-S177 PolarHBondContact O-N 3.18Å; P174-S177 PolarHBondContact O-OG 3.3Å; P174-S177 VanDerWaalsContact O-OG 3.09Å; S177-K179 WeakPolarHBondContact OG-CG 3.36Å; S177-M348 WeakPolarHBondContact CB-O 3.48Å; S177-M348 WeakPolarHBondContact O-CE 3.35Å; S177-M348 PolarHBondContact OG-O 3.17Å; S177-G351 VanDerWaalsContact O-CA 3.29Å; S177-G351 WeakPolarHBondContact O-CA 3.48Å; S177-G351 PolarHBondContact O-N 3.45Å
178G89.3Confident90.3Very high8 Ų818.8 Ų18.88%0.08214%0.137CC..SBendtrans98.1-6.9174.600000115.9G176 S180 T181 L182G176-G178 PolarHBondContact O-N 3.17Å; G178-S180 PolarHBondContact O-N 3.3Å; G178-T181 CarbonylContact O-C 3.54Å; G178-T181 WeakPolarHBondContact O-CA 3.18Å; G178-T181 VanDerWaalsContact O-CB 3.31Å; G178-T181 WeakPolarHBondContact O-CB 3.41Å; G178-T181 PolarHBondContact O-N 3.13Å; G178-L182 PolarHBondContact O-N 2.67Å
179K92.1Very high90.1Very high6 Ų620 Ų203%0.02614%0.143CC..Hα-helixtrans-42.7-58.7-175.5-44.4-170.6-62.4-83.10114.6V171 G173 P174 S177 T181 L182 I183 E301 V331 H333 M348V171-K179 HydrophobicContact CG1-CB 4.18Å; V171-K179 HydrophobicContact CG1-CD 4.49Å; V171-K179 HydrophobicContact CG1-CG 4.25Å; G173-K179 PolarHBondContact O-NZ 3.32Å; P174-K179 PolarHBondContact O-NZ 3.39Å; S177-K179 WeakPolarHBondContact OG-CG 3.36Å; K179-T181 PolarHBondContact O-N 2.72Å; K179-L182 WeakPolarHBondContact O-CB 3.29Å; K179-L182 PolarHBondContact O-N 2.76Å; K179-L182 VanDerWaalsContact O-N 3.1Å; K179-I183 PolarHBondContact O-N 2.83Å; K179-I183 VanDerWaalsContact O-N 3.16Å; K179-E301 VanDerWaalsContact CE-OE1 3.28Å; K179-E301 WeakPolarHBondContact CE-OE1 3.43Å; K179-E301 IonicContact NZ-OE1 3.19Å; K179-E301 PolarHBondContact NZ-OE1 3.28Å; K179-V331 HydrophobicContact CB-CB 4.5Å; K179-V331 HydrophobicContact CB-CG1 3.53Å; K179-V331 HydrophobicContact CB-CG2 4.11Å; K179-V331 HydrophobicContact CD-CG1 3.89Å; K179-V331 VanDerWaalsContact CE-CG1 3.5Å; K179-V331 HydrophobicContact CG-CG1 4.33Å; K179-H333 PolarHBondContact NZ-CE1 2.87Å; K179-H333 VanDerWaalsContact NZ-CE1 3.25Å; K179-H333 PolarHBondContact NZ-NE2 3.41Å; K179-M348 HydrophobicContact CB-SD 4.44Å; K179-M348 HydrophobicContact CG-CB 4.31Å; K179-M348 HydrophobicContact CG-SD 4.31Å
180S90.6Very high89.9Confident27 Ų2722.7 Ų22.719%0.18916%0.156CC..Hα-helixtrans-64-24.8179.1-53.70000113.9G178 K184 D300G178-S180 PolarHBondContact O-N 3.3Å; S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 WeakPolarHBondContact O-CD 3.44Å; S180-K184 WeakPolarHBondContact O-CG 3.4Å; S180-K184 PolarHBondContact O-N 3Å; S180-D300 VanDerWaalsContact CA-OD1 3.27Å; S180-D300 WeakPolarHBondContact CA-OD1 3.41Å; S180-D300 WeakPolarHBondContact CB-OD1 3.47Å; S180-D300 PolarHBondContact OG-OD1 3.04Å
181T92Very high89.6Confident21 Ų2127 Ų2713%0.12919%0.185CC..Hα-helixtrans-77.8-40.6173.7-63.30000110.6K148 Y150 V155 L156 G178 K179 I183 K184 T185K148-T181 HydrophobicContact CD-CG2 3.56Å; K148-T181 HydrophobicContact CG-CG2 4.49Å; Y150-T181 HydrophobicContact CE2-CG2 4.35Å; V155-T181 HydrophobicContact CG1-CG2 3.99Å; L156-T181 HydrophobicContact CD1-CG2 4Å; L156-T181 HydrophobicContact CG-CG2 4.14Å; G178-T181 CarbonylContact O-C 3.54Å; G178-T181 WeakPolarHBondContact O-CA 3.18Å; G178-T181 VanDerWaalsContact O-CB 3.31Å; G178-T181 WeakPolarHBondContact O-CB 3.41Å; G178-T181 PolarHBondContact O-N 3.13Å; K179-T181 PolarHBondContact O-N 2.72Å; T181-I183 PolarHBondContact O-N 2.9Å; T181-K184 PolarHBondContact O-N 3.31Å; T181-T185 WeakPolarHBondContact O-CG2 3.41Å; T181-T185 PolarHBondContact O-N 3.44Å; T181-T185 VanDerWaalsContact O-N 3.15Å
182L93.9Very high89.5Confident1 Ų128 Ų281%0.00519%0.19CC..Hα-helixtrans-57.9-46.5176.5-170.971.5000111.6L143 L156 C159 G178 K179 K184 T185 M329 M348 I353L143-L182 HydrophobicContact CD2-CD1 3.59Å; L143-L182 HydrophobicContact CD2-CG 4.15Å; L156-L182 HydrophobicContact CD1-CB 4.43Å; L156-L182 HydrophobicContact CD1-CD1 4.03Å; L156-L182 HydrophobicContact CD2-CB 4.08Å; L156-L182 HydrophobicContact CD2-CD1 4.22Å; C159-L182 HydrophobicContact CB-CD1 3.76Å; G178-L182 PolarHBondContact O-N 2.67Å; K179-L182 WeakPolarHBondContact O-CB 3.29Å; K179-L182 PolarHBondContact O-N 2.76Å; K179-L182 VanDerWaalsContact O-N 3.1Å; L182-K184 PolarHBondContact O-N 2.98Å; L182-T185 PolarHBondContact O-N 3.2Å; L182-T185 PolarHBondContact O-OG1 3.26Å; L182-M329 HydrophobicContact CD2-CE 3.91Å; L182-M329 HydrophobicContact CG-CE 4.34Å; L182-M348 HydrophobicContact CB-CE 4.24Å; L182-M348 HydrophobicContact CB-SD 4.05Å; L182-M348 HydrophobicContact CD2-CE 4.15Å; L182-M348 HydrophobicContact CD2-SD 3.53Å; L182-M348 VanDerWaalsContact CD2-SD 3.53Å; L182-M348 HydrophobicContact CG-SD 4.36Å; L182-I353 HydrophobicContact CD2-CD1 4.31Å
183I92.9Very high89.5Confident0 Ų031.5 Ų31.50%021%0.205CC..Hα-helixtrans-71.8-31.7-179.1-160.1170.7000112.8K179 T181 T185 V186 N187 M220 L298 F299 D300 M329 V331K179-I183 PolarHBondContact O-N 2.83Å; K179-I183 VanDerWaalsContact O-N 3.16Å; T181-I183 PolarHBondContact O-N 2.9Å; I183-T185 VanDerWaalsContact C-N 3.33Å; I183-T185 PolarHBondContact O-N 3.31Å; I183-V186 PolarHBondContact O-N 3.14Å; I183-N187 PolarHBondContact O-N 2.83Å; I183-M220 HydrophobicContact CG2-CE 4.23Å; I183-L298 HydrophobicContact CD1-CB 3.71Å; I183-L298 HydrophobicContact CD1-CD2 4.25Å; I183-L298 HydrophobicContact CD1-CG 4.48Å; I183-L298 HydrophobicContact CG1-CB 3.81Å; I183-L298 HydrophobicContact CG1-CD1 4.23Å; I183-L298 HydrophobicContact CG1-CD2 4Å; I183-L298 HydrophobicContact CG1-CG 4.22Å; I183-F299 VanDerWaalsContact CD1-O 3.26Å; I183-F299 WeakPolarHBondContact CD1-O 3.1Å; I183-D300 HydrophobicContact CG2-CB 4.19Å; I183-M329 HydrophobicContact CD1-CB 4.28Å; I183-M329 HydrophobicContact CD1-CG 4.34Å; I183-M329 WeakPolarHBondContact CD1-O 3.3Å; I183-M329 HydrophobicContact CG1-SD 4.25Å; I183-V331 HydrophobicContact CB-CG2 4.23Å; I183-V331 HydrophobicContact CD1-CG2 4.21Å; I183-V331 HydrophobicContact CG2-CG2 4.01Å
184K91.8Very high89.8Confident51 Ų5136.2 Ų36.222%0.22223%0.226CC..Hα-helixtrans-71.6-23.6177-74.4168.6-168.6146.30113.4S180 T181 L182 G188 L189 E190 M220 D300S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 WeakPolarHBondContact O-CD 3.44Å; S180-K184 WeakPolarHBondContact O-CG 3.4Å; S180-K184 PolarHBondContact O-N 3Å; T181-K184 PolarHBondContact O-N 3.31Å; L182-K184 PolarHBondContact O-N 2.98Å; K184-G188 PolarHBondContact O-N 2.94Å; K184-L189 HydrophobicContact CB-CB 4.46Å; K184-L189 PolarHBondContact O-N 2.98Å; K184-E190 HydrophobicContact CB-CB 4.2Å; K184-E190 HydrophobicContact CB-CG 3.95Å; K184-E190 PolarHBondContact O-N 2.94Å; K184-E190 VanDerWaalsContact O-N 3.16Å; K184-M220 HydrophobicContact CG-CE 4.23Å; K184-D300 WeakPolarHBondContact CE-OD2 3.47Å; K184-D300 IonicContact NZ-OD2 2.79Å; K184-D300 PolarHBondContact NZ-OD2 3.41Å
185T93.1Very high90.1Very high1 Ų135 Ų351%0.00622%0.224CC..Hα-helixtrans-76.5-29.6172.861.90000112K148 L156 T181 L182 I183 G188 E190 V192 I197K148-T185 HydrophobicContact CD-CG2 3.75Å; L156-T185 HydrophobicContact CD1-CG2 4.33Å; T181-T185 WeakPolarHBondContact O-CG2 3.41Å; T181-T185 PolarHBondContact O-N 3.44Å; T181-T185 VanDerWaalsContact O-N 3.15Å; L182-T185 PolarHBondContact O-N 3.2Å; L182-T185 PolarHBondContact O-OG1 3.26Å; I183-T185 VanDerWaalsContact C-N 3.33Å; I183-T185 PolarHBondContact O-N 3.31Å; T185-G188 WeakPolarHBondContact O-CA 3.46Å; T185-G188 PolarHBondContact O-N 2.97Å; T185-E190 WeakPolarHBondContact CA-O 3.44Å; T185-E190 HydrophobicContact CG2-CB 3.9Å; T185-E190 WeakPolarHBondContact CG2-O 3.48Å; T185-V192 HydrophobicContact CG2-CG1 3.36Å; T185-I197 WeakPolarHBondContact OG1-CD1 3.33Å
186V92.5Very high90.6Very high0 Ų034.6 Ų34.60%021%0.21CC..Hα-helixtrans-63.5-42.8173.2179.20000112.2I141 L143 I183 G188 V199 L298 M329I141-V186 HydrophobicContact CD1-CG1 4.08Å; I141-V186 HydrophobicContact CG1-CG1 4.42Å; I141-V186 HydrophobicContact CG2-CG1 3.74Å; I141-V186 HydrophobicContact CG2-CG2 4.27Å; L143-V186 HydrophobicContact CD1-CG2 3.99Å; L143-V186 HydrophobicContact CD2-CG2 3.98Å; L143-V186 HydrophobicContact CG-CG2 4.31Å; I183-V186 PolarHBondContact O-N 3.14Å; V186-G188 PolarHBondContact O-N 2.83Å; V186-V199 HydrophobicContact CG1-CG2 3.82Å; V186-L298 HydrophobicContact CB-CD1 4.16Å; V186-L298 HydrophobicContact CG1-CD1 4.03Å; V186-L298 HydrophobicContact CG1-CD2 4.2Å; V186-M329 HydrophobicContact CG2-SD 4.28Å
187N90.2Very high91.1Very high0 Ų031 Ų310%017%0.172CC..THydrogen-bonded Turntrans-73.6-4.2170.9-157.6-105.6000112.8I183 L189 R215 V218 L298I183-N187 PolarHBondContact O-N 2.83Å; N187-L189 HydrophobicContact CB-CD1 4.19Å; N187-L189 HydrophobicContact CB-CG 4.1Å; N187-L189 PolarHBondContact O-N 3.38Å; N187-L189 WeakPolarHBondContact OD1-CG 3.27Å; N187-R215 WeakPolarHBondContact O-CG 3.18Å; N187-R215 PolarHBondContact O-NE 3.41Å; N187-R215 VanDerWaalsContact O-NE 3.15Å; N187-R215 WeakPolarHBondContact OD1-CG 3.43Å; N187-V218 PolarHBondContact ND2-O 2.82Å; N187-L298 HydrophobicContact CB-CD1 3.89Å
188G89.5Confident91.2Very high9 Ų931.9 Ų31.99%0.09318%0.178CC..THydrogen-bonded Turntrans61.718.7-173.600000113.9K184 T185 V186 E190 R215K184-G188 PolarHBondContact O-N 2.94Å; T185-G188 WeakPolarHBondContact O-CA 3.46Å; T185-G188 PolarHBondContact O-N 2.97Å; V186-G188 PolarHBondContact O-N 2.83Å; G188-E190 VanDerWaalsContact C-N 3.29Å; G188-R215 PolarHBondContact O-NH2 3.06Å
189L89.1Confident91.3Very high28 Ų2831.5 Ų31.515%0.14717%0.174CC..SBendtrans-67.7-37.2173.5-69.9169.8000110.4L63 A64 K184 N187 M220 F222L63-L189 HydrophobicContact CB-CD2 3.83Å; A64-L189 HydrophobicContact CB-CD1 4.27Å; A64-L189 HydrophobicContact CB-CD2 4.37Å; K184-L189 HydrophobicContact CB-CB 4.46Å; K184-L189 PolarHBondContact O-N 2.98Å; N187-L189 HydrophobicContact CB-CD1 4.19Å; N187-L189 HydrophobicContact CB-CG 4.1Å; N187-L189 PolarHBondContact O-N 3.38Å; N187-L189 WeakPolarHBondContact OD1-CG 3.27Å; L189-M220 HydrophobicContact CD1-CG 4.46Å; L189-F222 HydrophobicContact CD1-CE1 3.84Å; L189-F222 HydrophobicContact CD1-CZ 3.74Å
190E88.9Confident91.1Very high57 Ų5734.2 Ų34.227%0.26619%0.189SC..SBendtrans-105.9123.9172.6-79.4-59.4152.100110.5K148 Y150 K184 T185 G188K148-E190 HydrophobicContact CD-CB 4.43Å; K148-E190 WeakPolarHBondContact CE-OE2 3.39Å; K148-E190 IonicContact NZ-OE2 3.17Å; K148-E190 PolarHBondContact NZ-OE2 3.2Å; Y150-E190 WeakPolarHBondContact CE1-OE2 3.5Å; Y150-E190 VanDerWaalsContact OH-CD 3.28Å; Y150-E190 PolarHBondContact OH-OE2 3.43Å; K184-E190 HydrophobicContact CB-CB 4.2Å; K184-E190 HydrophobicContact CB-CG 3.95Å; K184-E190 PolarHBondContact O-N 2.94Å; K184-E190 VanDerWaalsContact O-N 3.16Å; T185-E190 WeakPolarHBondContact CA-O 3.44Å; T185-E190 HydrophobicContact CG2-CB 3.9Å; T185-E190 WeakPolarHBondContact CG2-O 3.48Å; G188-E190 VanDerWaalsContact C-N 3.29Å
191P88.2Confident90.8Very high92 Ų9236.2 Ų36.260%0.59721%0.214SC*.  trans-72.6149.9173.830.6-34.5000110.8K148K148-P191 WeakPolarHBondContact CD-O 3.4Å; K148-P191 PolarHBondContact NZ-O 2.81Å
192V90.8Very high90.6Very high21 Ų2137.9 Ų37.913%0.12722%0.221CC..  trans-106.9152.2172.9-61.20000110.1V146 T185 I197 N205V146-V192 HydrophobicContact CG1-CB 4.32Å; V146-V192 HydrophobicContact CG1-CG1 3.69Å; T185-V192 HydrophobicContact CG2-CG1 3.36Å; V192-I197 HydrophobicContact CG1-CD1 3.97Å; V192-I197 HydrophobicContact CG2-CD1 4.46Å; V192-N205 HydrophobicContact CG2-CB 3.79Å
193Q91.6Very high90.5Very high86 Ų8640 Ų4040%0.40223%0.234SC..SBendtrans-100.9-23.4179.9-67.696.4-24.100113.1S147 K148 W149S147-Q193 PolarHBondContact O-N 2.83Å; K148-Q193 VanDerWaalsContact CA-OE1 3.3Å; W149-Q193 HydrophobicContact CD2-CB 4.06Å; W149-Q193 HydrophobicContact CD2-CG 4.13Å; W149-Q193 HydrophobicContact CE3-CB 4.11Å; W149-Q193 HydrophobicContact CH2-CB 3.32Å; W149-Q193 HydrophobicContact CH2-CG 4.29Å; W149-Q193 HydrophobicContact CZ2-CB 3.22Å; W149-Q193 HydrophobicContact CZ2-CG 3.73Å; W149-Q193 HydrophobicContact CZ3-CB 3.76Å; W149-Q193 VanDerWaalsContact N-OE1 3.17Å; W149-Q193 PolarHBondContact O-NE2 3.04Å
194Q91.3Very high90.3Very high105 Ų10540.3 Ų40.349%0.49124%0.236SC..EExtended strand (participates in β ladder)trans-140.5157.4176-82.7173.52.600110.7S147 W149S147-Q194 PolarHBondContact N-O 2.93Å; S147-Q194 VanDerWaalsContact N-O 3.09Å; S147-Q194 PolarHBondContact O-N 3.45Å; W149-Q194 HydrophobicContact CH2-CB 4.49Å; W149-Q194 HydrophobicContact CH2-CG 3.95Å; W149-Q194 HydrophobicContact CZ3-CB 4.43Å; W149-Q194 HydrophobicContact CZ3-CG 4.3Å
195G90.1Very high90.3Very high32 Ų3240.8 Ų40.833%0.3324%0.241SC..EExtended strand (participates in β ladder)trans87179.5-175.200000114.2K144 N145 N205K144-G195 CarbonylContact O-C 3.45Å; K144-G195 WeakPolarHBondContact O-CA 3.3Å; N145-G195 WeakPolarHBondContact O-CA 3.44Å; N145-G195 PolarHBondContact O-N 3.45Å; G195-N205 PolarHBondContact O-ND2 3.04Å
196E92.2Very high90Very high98 Ų9844.1 Ų44.146%0.45826%0.259SS..EExtended strand (participates in β ladder)trans-128.7136.3177.8-168.2173.393.600109.3K144 T198 V203K144-E196 PolarHBondContact N-O 3.5Å; K144-E196 PolarHBondContact O-N 3Å; E196-T198 HydrophobicContact CG-CG2 4.27Å; E196-V203 HydrophobicContact CG-CG1 3.92Å
197I93.2Very high89.6Confident2 Ų254.4 Ų54.41%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-120.8128.6172.8-59.5176.1000107.3T142 L143 V146 T185 V192 V203 V204 N205T142-I197 CarbonylContact O-C 3.57Å; T142-I197 WeakPolarHBondContact O-CA 3.37Å; L143-I197 HydrophobicContact CD2-CD1 4.42Å; L143-I197 HydrophobicContact CD2-CG1 4.47Å; L143-I197 HydrophobicContact CG-CG1 4.34Å; V146-I197 HydrophobicContact CG1-CD1 4.14Å; V146-I197 HydrophobicContact CG1-CG1 4.46Å; V146-I197 HydrophobicContact CG2-CD1 4.17Å; V146-I197 HydrophobicContact CG2-CG1 3.61Å; T185-I197 WeakPolarHBondContact OG1-CD1 3.33Å; V192-I197 HydrophobicContact CG1-CD1 3.97Å; V192-I197 HydrophobicContact CG2-CD1 4.46Å; I197-V203 CarbonylContact O-C 3.59Å; I197-V203 WeakPolarHBondContact O-CA 3.24Å; I197-V204 HydrophobicContact CB-CB 4.13Å; I197-V204 HydrophobicContact CB-CG2 4.22Å; I197-V204 HydrophobicContact CG2-CB 4.06Å; I197-V204 HydrophobicContact CG2-CG2 3.68Å; I197-V204 PolarHBondContact O-N 2.78Å; I197-N205 PolarHBondContact N-OD1 2.91Å; I197-N205 VanDerWaalsContact N-OD1 3.1Å
198T92.2Very high89.4Confident25 Ų2563.2 Ų63.215%0.15334%0.341CS..EExtended strand (participates in β ladder)trans-122.7141.6171.576.90000111.2I141 T142 E196 I202 V203I141-T198 CarbonylContact C-O 3.53Å; I141-T198 WeakPolarHBondContact CA-O 3.24Å; T142-T198 PolarHBondContact N-O 2.81Å; T142-T198 PolarHBondContact O-N 3.19Å; E196-T198 HydrophobicContact CG-CG2 4.27Å; T198-I202 CarbonylContact C-O 3.48Å; T198-I202 VanDerWaalsContact CA-O 3.29Å; T198-I202 WeakPolarHBondContact CA-O 3.34Å; T198-V203 HydrophobicContact CG2-CG2 4.04Å
199V91Very high89.3Confident0 Ų064.1 Ų64.10%035%0.345CS..EExtended strand (participates in β ladder)trans-132.9121173.6178.30000108.1M140 I141 V186 G201 I202 V204 L214 V218M140-V199 CarbonylContact O-C 3.44Å; M140-V199 WeakPolarHBondContact O-CA 3.42Å; I141-V199 HydrophobicContact CG1-CG1 4.46Å; I141-V199 HydrophobicContact CG1-CG2 4.34Å; I141-V199 HydrophobicContact CG2-CG2 4.18Å; V186-V199 HydrophobicContact CG1-CG2 3.82Å; V199-G201 PolarHBondContact O-N 3.28Å; V199-I202 PolarHBondContact N-O 3.02Å; V199-I202 WeakPolarHBondContact O-CB 3.32Å; V199-I202 PolarHBondContact O-N 2.87Å; V199-V204 HydrophobicContact CB-CG2 4.3Å; V199-V204 HydrophobicContact CG2-CG2 3.8Å; V199-L214 HydrophobicContact CB-CD1 4.18Å; V199-L214 HydrophobicContact CG1-CD1 4.43Å; V199-V218 HydrophobicContact CG1-CG2 3.82Å
200D88.5Confident89.3Confident63 Ų6367.3 Ų67.334%0.33736%0.363SS..THydrogen-bonded Turntrans5043.4-173.7-169.154.6000112.4M140 I202 R217 I295M140-D200 PolarHBondContact O-N 3.41Å; M140-D200 HydrophobicContact SD-CB 4.06Å; D200-I202 PolarHBondContact O-N 3.38Å; D200-R217 IonicContact OD2-CZ 2.64Å; D200-R217 IonicContact OD2-NH1 2.67Å; D200-R217 PolarHBondContact OD2-NH1 2.82Å; D200-R217 IonicContact OD2-NH2 3.12Å; D200-R217 PolarHBondContact OD2-NH2 2.72Å; D200-I295 HydrophobicContact CB-CD1 3.48Å; D200-I295 VanDerWaalsContact CB-CD1 3.48Å
201G84.4Confident89.3Confident69 Ų6967.2 Ų67.271%0.71136%0.364SS*.THydrogen-bonded Turntrans72.3-0.7-176.900000115.8V199V199-G201 PolarHBondContact O-N 3.28Å
202I88.1Confident89.3Confident56 Ų5663.8 Ų63.829%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-91119.4177.6-54.7176.1000109.3T198 V199 D200 V204 T209 L214T198-I202 CarbonylContact C-O 3.48Å; T198-I202 VanDerWaalsContact CA-O 3.29Å; T198-I202 WeakPolarHBondContact CA-O 3.34Å; V199-I202 PolarHBondContact N-O 3.02Å; V199-I202 WeakPolarHBondContact O-CB 3.32Å; V199-I202 PolarHBondContact O-N 2.87Å; D200-I202 PolarHBondContact O-N 3.38Å; I202-V204 PolarHBondContact O-N 2.84Å; I202-T209 HydrophobicContact CG2-CG2 3.64Å; I202-L214 HydrophobicContact CB-CD1 4.25Å; I202-L214 HydrophobicContact CD1-CD1 4.25Å; I202-L214 HydrophobicContact CG2-CD1 4.34Å
203V90.2Very high89.2Confident44 Ų4469.2 Ų69.227%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-68.7111.7174.6-173.90000109.8E196 I197 T198 N205 D206 T209E196-V203 HydrophobicContact CG-CG1 3.92Å; I197-V203 CarbonylContact O-C 3.59Å; I197-V203 WeakPolarHBondContact O-CA 3.24Å; T198-V203 HydrophobicContact CG2-CG2 4.04Å; V203-N205 PolarHBondContact O-N 3.49Å; V203-D206 HydrophobicContact CB-CB 4.23Å; V203-D206 HydrophobicContact CG1-CB 4.15Å; V203-T209 WeakPolarHBondContact O-CB 3.14Å; V203-T209 PolarHBondContact O-OG1 3.14Å
204V90Very high89.1Confident7 Ų765.3 Ų65.34%0.04235%0.346CS..THydrogen-bonded Turntrans-67.5-38-173.6-1760000111.5I197 V199 I202 L211 L214I197-V204 HydrophobicContact CB-CB 4.13Å; I197-V204 HydrophobicContact CB-CG2 4.22Å; I197-V204 HydrophobicContact CG2-CB 4.06Å; I197-V204 HydrophobicContact CG2-CG2 3.68Å; I197-V204 PolarHBondContact O-N 2.78Å; V199-V204 HydrophobicContact CB-CG2 4.3Å; V199-V204 HydrophobicContact CG2-CG2 3.8Å; I202-V204 PolarHBondContact O-N 2.84Å; V204-L211 HydrophobicContact CG1-CD2 4.1Å; V204-L211 WeakPolarHBondContact O-CD2 3.48Å; V204-L214 HydrophobicContact CB-CD2 4.13Å; V204-L214 HydrophobicContact CG1-CD2 3.74Å; V204-L214 HydrophobicContact CG2-CD2 3.72Å
205N90.1Very high89.1Confident61 Ų6161.3 Ų61.333%0.32633%0.327SS..THydrogen-bonded Turntrans-94.38.2-175.561.7-48.7000115.2V192 G195 I197 V203V192-N205 HydrophobicContact CG2-CB 3.79Å; G195-N205 PolarHBondContact O-ND2 3.04Å; I197-N205 PolarHBondContact N-OD1 2.91Å; I197-N205 VanDerWaalsContact N-OD1 3.1Å; V203-N205 PolarHBondContact O-N 3.49Å
206D87.2Confident89.1Confident72 Ų7260.4 Ų60.439%0.38532%0.315SS..  trans-71.8130.6165.7-175.7-7.8000109.8V203 K208 T209V203-D206 HydrophobicContact CB-CB 4.23Å; V203-D206 HydrophobicContact CG1-CB 4.15Å; D206-K208 PolarHBondContact O-N 3.48Å; D206-K208 PolarHBondContact OD1-N 3.49Å; D206-T209 WeakPolarHBondContact O-CB 3.4Å; D206-T209 PolarHBondContact O-N 3.02Å
207K84.3Confident89.1Confident215 Ų21559.2 Ų59.294%0.93531%0.307SS*.THydrogen-bonded Turntrans-59.2-16.7175.2-61.7-177.6-178.5178.40113.7
208K86.7Confident89Confident185 Ų18559.2 Ų59.280%0.80431%0.307SS*.THydrogen-bonded Turntrans-87.5-12.2175.4-62.8176.2-175.4169.60113.9D206 D210D206-K208 PolarHBondContact O-N 3.48Å; D206-K208 PolarHBondContact OD1-N 3.49Å; K208-D210 PolarHBondContact O-N 2.91Å
209T87.1Confident89.1Confident29 Ų2958.2 Ų58.218%0.17830%0.302CS..SBendtrans-72.6128.7-175.4-70.80000111.4I202 V203 D206 L211I202-T209 HydrophobicContact CG2-CG2 3.64Å; V203-T209 WeakPolarHBondContact O-CB 3.14Å; V203-T209 PolarHBondContact O-OG1 3.14Å; D206-T209 WeakPolarHBondContact O-CB 3.4Å; D206-T209 PolarHBondContact O-N 3.02Å; T209-L211 VanDerWaalsContact C-N 3.31Å; T209-L211 HydrophobicContact CG2-CD2 4.3Å; T209-L211 PolarHBondContact O-N 2.97Å
210D89Confident89.2Confident95 Ų9558.7 Ų58.751%0.50830%0.304SS..  trans-73.287.4170.6-176.2-11.5000109.5K208 A212 K213 L214K208-D210 PolarHBondContact O-N 2.91Å; D210-A212 PolarHBondContact O-N 3.01Å; D210-A212 WeakPolarHBondContact OD1-CB 3.2Å; D210-A212 PolarHBondContact OD1-N 3.11Å; D210-A212 VanDerWaalsContact OD1-N 3.1Å; D210-K213 HydrophobicContact CB-CB 3.95Å; D210-K213 VanDerWaalsContact CG-CB 3.46Å; D210-K213 PolarHBondContact O-N 3.04Å; D210-K213 VanDerWaalsContact O-N 3.16Å; D210-K213 PolarHBondContact OD1-N 2.65Å; D210-K213 WeakPolarHBondContact OD2-CB 3.27Å; D210-L214 PolarHBondContact O-N 3.5Å
211L88.6Confident89.5Confident55 Ų5555.8 Ų55.829%0.28829%0.289SS..Hα-helixtrans-59.5-28178.1-69.5175.1000112.9V204 T209 L214 R215V204-L211 HydrophobicContact CG1-CD2 4.1Å; V204-L211 WeakPolarHBondContact O-CD2 3.48Å; T209-L211 VanDerWaalsContact C-N 3.31Å; T209-L211 HydrophobicContact CG2-CD2 4.3Å; T209-L211 PolarHBondContact O-N 2.97Å; L211-L214 HydrophobicContact CD2-CD2 4.19Å; L211-R215 VanDerWaalsContact O-CB 3.29Å; L211-R215 WeakPolarHBondContact O-CB 3.37Å; L211-R215 WeakPolarHBondContact O-CG 3.41Å; L211-R215 PolarHBondContact O-N 3.3Å
212A88Confident89.8Confident19 Ų1953 Ų5316%0.15726%0.257CS..Hα-helixtrans-69.5-44.2176.400000110.4G66 T68 D210 S216G66-A212 WeakPolarHBondContact CA-O 3.37Å; T68-A212 HydrophobicContact CG2-CB 4.32Å; D210-A212 PolarHBondContact O-N 3.01Å; D210-A212 WeakPolarHBondContact OD1-CB 3.2Å; D210-A212 PolarHBondContact OD1-N 3.11Å; D210-A212 VanDerWaalsContact OD1-N 3.1Å; A212-S216 WeakPolarHBondContact O-CB 3.26Å; A212-S216 PolarHBondContact O-N 3.38Å; A212-S216 VanDerWaalsContact O-N 3.07Å
213K88.7Confident89.8Confident136 Ų13653.2 Ų53.259%0.59126%0.257SS*.Hα-helixtrans-64-41.9173-170.8-178.9-177.8-171.90112.2D210 S216D210-K213 HydrophobicContact CB-CB 3.95Å; D210-K213 VanDerWaalsContact CG-CB 3.46Å; D210-K213 PolarHBondContact O-N 3.04Å; D210-K213 VanDerWaalsContact O-N 3.16Å; D210-K213 PolarHBondContact OD1-N 2.65Å; D210-K213 WeakPolarHBondContact OD2-CB 3.27Å; K213-S216 PolarHBondContact O-OG 3.14Å
214L89.5Confident89.6Confident3 Ų357 Ų572%0.01627%0.271CS..Hα-helixtrans-59.7-54.9175.7-179.571.3000111.7V199 I202 V204 D210 L211 S216 R217 V218V199-L214 HydrophobicContact CB-CD1 4.18Å; V199-L214 HydrophobicContact CG1-CD1 4.43Å; I202-L214 HydrophobicContact CB-CD1 4.25Å; I202-L214 HydrophobicContact CD1-CD1 4.25Å; I202-L214 HydrophobicContact CG2-CD1 4.34Å; V204-L214 HydrophobicContact CB-CD2 4.13Å; V204-L214 HydrophobicContact CG1-CD2 3.74Å; V204-L214 HydrophobicContact CG2-CD2 3.72Å; D210-L214 PolarHBondContact O-N 3.5Å; L211-L214 HydrophobicContact CD2-CD2 4.19Å; L214-S216 VanDerWaalsContact C-N 3.26Å; L214-S216 PolarHBondContact O-N 2.78Å; L214-R217 WeakPolarHBondContact O-CB 3.37Å; L214-R217 PolarHBondContact O-N 2.71Å; L214-V218 PolarHBondContact O-N 3.33Å
215R91.7Very high89.5Confident21 Ų2158.8 Ų58.88%0.07928%0.278CS..Hα-helixtrans-60.5-35.1-177.6-70.1176.9-163.7145.7-5.4112.3L63 A64 N187 G188 L211 R217 V218L63-R215 WeakPolarHBondContact O-CB 3.46Å; L63-R215 WeakPolarHBondContact O-CD 3.49Å; A64-R215 CarbonylContact O-C 3.52Å; N187-R215 WeakPolarHBondContact O-CG 3.18Å; N187-R215 PolarHBondContact O-NE 3.41Å; N187-R215 VanDerWaalsContact O-NE 3.15Å; N187-R215 WeakPolarHBondContact OD1-CG 3.43Å; G188-R215 PolarHBondContact O-NH2 3.06Å; L211-R215 VanDerWaalsContact O-CB 3.29Å; L211-R215 WeakPolarHBondContact O-CB 3.37Å; L211-R215 WeakPolarHBondContact O-CG 3.41Å; L211-R215 PolarHBondContact O-N 3.3Å; R215-R217 PolarHBondContact O-N 2.91Å; R215-V218 PolarHBondContact O-N 2.8Å; R215-V218 VanDerWaalsContact O-O 3.14Å
216S90.9Very high89.4Confident13 Ų1357.1 Ų57.19%0.09127%0.269CS..THydrogen-bonded Turntrans-58.5-13.1172.776.70000115.2A212 K213 L214A212-S216 WeakPolarHBondContact O-CB 3.26Å; A212-S216 PolarHBondContact O-N 3.38Å; A212-S216 VanDerWaalsContact O-N 3.07Å; K213-S216 PolarHBondContact O-OG 3.14Å; L214-S216 VanDerWaalsContact C-N 3.26Å; L214-S216 PolarHBondContact O-N 2.78Å
217R91.2Very high89.7Confident73 Ų7354.1 Ų54.128%0.27525%0.253SS..THydrogen-bonded Turntrans-109-9.1176.9-56176.470.9-152.71.5113.6D200 L214 R215 P294 I295D200-R217 IonicContact OD2-CZ 2.64Å; D200-R217 IonicContact OD2-NH1 2.67Å; D200-R217 PolarHBondContact OD2-NH1 2.82Å; D200-R217 IonicContact OD2-NH2 3.12Å; D200-R217 PolarHBondContact OD2-NH2 2.72Å; L214-R217 WeakPolarHBondContact O-CB 3.37Å; L214-R217 PolarHBondContact O-N 2.71Å; R215-R217 PolarHBondContact O-N 2.91Å; R217-P294 CarbonylContact O-C 3.57Å; R217-P294 WeakPolarHBondContact O-CA 3.37Å; R217-I295 HydrophobicContact CB-CD1 4.43Å; R217-I295 HydrophobicContact CB-CG1 4.36Å; R217-I295 WeakPolarHBondContact O-CG1 3.35Å; R217-I295 PolarHBondContact O-N 3.47Å
218V92.3Very high90.1Very high2 Ų243.9 Ų43.91%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-121.7106.3-174.7-176.70000108.5N187 V199 L214 R215 L298N187-V218 PolarHBondContact ND2-O 2.82Å; V199-V218 HydrophobicContact CG1-CG2 3.82Å; L214-V218 PolarHBondContact O-N 3.33Å; R215-V218 PolarHBondContact O-N 2.8Å; R215-V218 VanDerWaalsContact O-O 3.14Å; V218-L298 HydrophobicContact CG1-CD1 3.56Å; V218-L298 HydrophobicContact CG1-CG 3.82Å
219G92.8Very high90.4Very high5 Ų538.2 Ų38.25%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-69.2142.1-178.300000110.8A296 L298G219-A296 PolarHBondContact N-O 2.94Å; G219-L298 WeakPolarHBondContact O-CB 3.33Å; G219-L298 PolarHBondContact O-N 3.44Å
220M93.7Very high90.6Very high10 Ų1038 Ų385%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-134126.3178.5-174.974.9-163.600109.5A64 I183 K184 L189 F222 L298 D300A64-M220 HydrophobicContact CB-CB 3.93Å; A64-M220 HydrophobicContact CB-CG 4.48Å; I183-M220 HydrophobicContact CG2-CE 4.23Å; K184-M220 HydrophobicContact CG-CE 4.23Å; L189-M220 HydrophobicContact CD1-CG 4.46Å; M220-F222 HydrophobicContact CB-CE2 4.1Å; M220-F222 HydrophobicContact CB-CZ 4.3Å; M220-F222 HydrophobicContact CE-CD1 4.03Å; M220-F222 HydrophobicContact CE-CE1 4.1Å; M220-F222 HydrophobicContact CG-CD1 4.29Å; M220-F222 HydrophobicContact CG-CD2 4.03Å; M220-F222 HydrophobicContact CG-CE1 3.87Å; M220-F222 HydrophobicContact CG-CE2 3.57Å; M220-F222 HydrophobicContact CG-CG 4.38Å; M220-F222 HydrophobicContact CG-CZ 3.49Å; M220-F222 VanDerWaalsContact CG-CZ 3.49Å; M220-L298 CarbonylContact C-O 3.57Å; M220-L298 WeakPolarHBondContact CA-O 3.46Å; M220-L298 HydrophobicContact SD-CB 3.59Å; M220-L298 VanDerWaalsContact SD-CB 3.59Å; M220-L298 HydrophobicContact SD-CD1 4.19Å; M220-D300 HydrophobicContact CE-CB 3.66Å
221V94.1Very high90.8Very high1 Ų134.8 Ų34.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-114.7125.8171.3-1770000106.8A285 I286 A289 M297 L298 F299 D300 P302V221-A285 HydrophobicContact CG1-CB 4.41Å; V221-I286 HydrophobicContact CG1-CG1 4.24Å; V221-I286 HydrophobicContact CG2-CG1 4.08Å; V221-A289 HydrophobicContact CG2-CB 4.3Å; V221-M297 HydrophobicContact CG2-CE 3.99Å; V221-L298 PolarHBondContact N-O 3.18Å; V221-F299 HydrophobicContact CB-CD1 3.75Å; V221-F299 HydrophobicContact CB-CE1 4.21Å; V221-F299 HydrophobicContact CB-CG 4.32Å; V221-F299 HydrophobicContact CG1-CD1 4.12Å; V221-F299 HydrophobicContact CG2-CD1 3.92Å; V221-F299 HydrophobicContact CG2-CE1 3.86Å; V221-F299 HydrophobicContact CG2-CZ 4.49Å; V221-D300 PolarHBondContact O-N 3.1Å; V221-P302 HydrophobicContact CG1-CB 4.43Å
222F92.1Very high91.1Very high12 Ų1232.6 Ų32.65%0.05316%0.159CC..  trans-99.2161.2-171.8-65.2-93.5000111.1A61 A64 L189 M220 H224 E226 Q282 D300A61-F222 HydrophobicContact CB-CD2 4.47Å; A61-F222 HydrophobicContact CB-CE2 3.98Å; A64-F222 HydrophobicContact CB-CE2 4.13Å; A64-F222 HydrophobicContact CB-CZ 3.97Å; L189-F222 HydrophobicContact CD1-CE1 3.84Å; L189-F222 HydrophobicContact CD1-CZ 3.74Å; M220-F222 HydrophobicContact CB-CE2 4.1Å; M220-F222 HydrophobicContact CB-CZ 4.3Å; M220-F222 HydrophobicContact CE-CD1 4.03Å; M220-F222 HydrophobicContact CE-CE1 4.1Å; M220-F222 HydrophobicContact CG-CD1 4.29Å; M220-F222 HydrophobicContact CG-CD2 4.03Å; M220-F222 HydrophobicContact CG-CE1 3.87Å; M220-F222 HydrophobicContact CG-CE2 3.57Å; M220-F222 HydrophobicContact CG-CG 4.38Å; M220-F222 HydrophobicContact CG-CZ 3.49Å; M220-F222 VanDerWaalsContact CG-CZ 3.49Å; F222-H224 VanDerWaalsContact C-N 3.33Å; F222-H224 CarbonylContact C-O 3.45Å; F222-H224 WeakPolarHBondContact CB-O 3.35Å; F222-H224 PolarHBondContact O-N 3.02Å; F222-E226 HydrophobicContact CB-CG 4.19Å; F222-E226 HydrophobicContact CD2-CB 4.39Å; F222-E226 HydrophobicContact CG-CG 4.43Å; F222-Q282 PolarHBondContact O-NE2 3.15Å; F222-D300 CarbonylContact C-O 3.54Å
223Q88.5Confident91.5Very high60 Ų6031.7 Ų31.728%0.2815%0.152SC..SBendtrans-58-45.7178.4-170.7171.516.300112.2D300 E301 S304Q223-D300 WeakPolarHBondContact CA-O 3.47Å; Q223-D300 WeakPolarHBondContact CB-O 3.49Å; Q223-D300 PolarHBondContact N-O 2.88Å; Q223-E301 HydrophobicContact CG-CB 3.98Å; Q223-E301 PolarHBondContact NE2-OE2 3.14Å; Q223-S304 WeakPolarHBondContact CG-OG 3.45Å; Q223-S304 PolarHBondContact NE2-OG 2.95Å
224H85.4Confident91.9Very high123 Ų12325.3 Ų25.357%0.56912%0.124SC*.SBendtrans-89.7146.3162.8-56.6-42.7000109.1F222 E226F222-H224 VanDerWaalsContact C-N 3.33Å; F222-H224 CarbonylContact C-O 3.45Å; F222-H224 WeakPolarHBondContact CB-O 3.35Å; F222-H224 PolarHBondContact O-N 3.02Å; H224-E226 HydrophobicContact CB-CG 4.35Å; H224-E226 WeakPolarHBondContact O-CG 3.37Å; H224-E226 PolarHBondContact O-N 3.26Å
225F86.9Confident92.2Very high44 Ų4429.3 Ų29.319%0.19314%0.143CC..  trans-56.8-28.5-171.8-37.4-51.1000113.6L227 G278 Q281 Q282 R288 L306F225-L227 HydrophobicContact CB-CG 4.28Å; F225-L227 PolarHBondContact O-N 3.05Å; F225-G278 WeakPolarHBondContact CE1-O 3.44Å; F225-G278 VanDerWaalsContact CZ-CA 3.49Å; F225-Q281 HydrophobicContact CB-CB 3.93Å; F225-Q281 HydrophobicContact CD1-CB 4.17Å; F225-Q281 HydrophobicContact CD2-CB 3.55Å; F225-Q281 HydrophobicContact CD2-CG 4.2Å; F225-Q281 HydrophobicContact CE2-CB 4.12Å; F225-Q281 HydrophobicContact CG-CB 3.59Å; F225-Q282 HydrophobicContact CD1-CB 3.82Å; F225-Q282 HydrophobicContact CD1-CG 4.41Å; F225-Q282 HydrophobicContact CE1-CB 4.1Å; F225-R288 PolarHBondContact O-NH2 2.82Å; F225-L306 HydrophobicContact CE1-CD2 3.95Å; F225-L306 HydrophobicContact CZ-CD2 4.01Å
226E88.5Confident92.4Very high27 Ų2728.3 Ų28.313%0.12614%0.139CC..  trans45.433.7178.2-68-63.217200113.9S55 G57 Q58 A61 F222 H224 R288S55-E226 PolarHBondContact OG-OE1 2.71Å; G57-E226 VanDerWaalsContact CA-CD 3.44Å; G57-E226 WeakPolarHBondContact CA-OE1 3.37Å; Q58-E226 PolarHBondContact N-OE2 3.43Å; Q58-E226 PolarHBondContact NE2-OE2 3.05Å; A61-E226 HydrophobicContact CB-CB 3.93Å; F222-E226 HydrophobicContact CB-CG 4.19Å; F222-E226 HydrophobicContact CD2-CB 4.39Å; F222-E226 HydrophobicContact CG-CG 4.43Å; H224-E226 HydrophobicContact CB-CG 4.35Å; H224-E226 WeakPolarHBondContact O-CG 3.37Å; H224-E226 PolarHBondContact O-N 3.26Å; E226-R288 VanDerWaalsContact O-CZ 3.31Å; E226-R288 PolarHBondContact O-NH1 3.01Å; E226-R288 PolarHBondContact O-NH2 3.4Å
227L93Very high92.6Very high8 Ų827.8 Ų27.84%0.04214%0.135CC..  trans-68.7152.7168.6-60.5-177.9000109.4Q58 F225 P229 P273 Q281 V284 A285Q58-L227 PolarHBondContact NE2-O 3.1Å; Q58-L227 PolarHBondContact OE1-O 3.08Å; F225-L227 HydrophobicContact CB-CG 4.28Å; F225-L227 PolarHBondContact O-N 3.05Å; L227-P229 WeakPolarHBondContact O-CD 3.34Å; L227-P273 HydrophobicContact CB-CB 3.91Å; L227-P273 HydrophobicContact CB-CG 3.67Å; L227-P273 HydrophobicContact CD1-CB 3.98Å; L227-P273 HydrophobicContact CD1-CG 4.1Å; L227-Q281 HydrophobicContact CD1-CB 4.01Å; L227-Q281 HydrophobicContact CD1-CG 4.28Å; L227-V284 HydrophobicContact CD1-CB 4.02Å; L227-V284 HydrophobicContact CD1-CG1 3.75Å; L227-V284 HydrophobicContact CD2-CB 4.45Å; L227-V284 HydrophobicContact CD2-CG1 3.75Å; L227-V284 HydrophobicContact CG-CG1 4.43Å; L227-A285 HydrophobicContact CD2-CB 4.13Å
228F94.5Very high92.8Very high0 Ų025.4 Ų25.40%013%0.129CC..  trans-83.9105.1178.8-52.3-50.4000109.2A61 A62 L65 I76 H230 L231 N236A61-F228 HydrophobicContact CB-CE1 4.2Å; A61-F228 HydrophobicContact CB-CZ 4.41Å; A62-F228 HydrophobicContact CB-CE1 4.33Å; A62-F228 HydrophobicContact CB-CZ 4.22Å; L65-F228 HydrophobicContact CD1-CE2 3.92Å; L65-F228 HydrophobicContact CD1-CZ 4Å; I76-F228 HydrophobicContact CB-CD1 4.45Å; I76-F228 HydrophobicContact CB-CE1 4.45Å; I76-F228 HydrophobicContact CD1-CB 4.41Å; I76-F228 HydrophobicContact CD1-CD1 3.73Å; I76-F228 HydrophobicContact CD1-CD2 3.66Å; I76-F228 HydrophobicContact CD1-CE1 3.82Å; I76-F228 HydrophobicContact CD1-CE2 3.74Å; I76-F228 HydrophobicContact CD1-CG 3.66Å; I76-F228 HydrophobicContact CD1-CZ 3.82Å; I76-F228 HydrophobicContact CG1-CD1 4.13Å; I76-F228 HydrophobicContact CG1-CE1 3.88Å; I76-F228 HydrophobicContact CG1-CE2 4.48Å; I76-F228 HydrophobicContact CG1-CZ 4.07Å; I76-F228 HydrophobicContact CG2-CD1 3.5Å; I76-F228 HydrophobicContact CG2-CE1 3.7Å; I76-F228 HydrophobicContact CG2-CG 4.36Å; F228-H230 PolarHBondContact O-N 3.27Å; F228-L231 HydrophobicContact CB-CB 4.36Å; F228-L231 HydrophobicContact CB-CD1 3.94Å; F228-L231 HydrophobicContact CB-CG 4.24Å; F228-L231 HydrophobicContact CD2-CD1 4.08Å; F228-L231 HydrophobicContact CG-CD1 4.37Å; F228-L231 PolarHBondContact O-N 2.79Å; F228-L231 VanDerWaalsContact O-N 3.14Å; F228-N236 WeakPolarHBondContact CB-OD1 3.28Å; F228-N236 VanDerWaalsContact CD2-OD1 3.25Å; F228-N236 WeakPolarHBondContact CD2-OD1 3.26Å; F228-N236 PolarHBondContact N-OD1 3.48Å; F228-N236 PolarHBondContact O-ND2 3.04Å
229P91.2Very high93Very high66 Ų6626.6 Ų26.643%0.42914%0.135SC..THydrogen-bonded Turntrans-69-18.4-169.528.5-38000113.8Q58 L227 L231Q58-P229 VanDerWaalsContact OE1-CD 3.32Å; L227-P229 WeakPolarHBondContact O-CD 3.34Å; P229-L231 VanDerWaalsContact C-N 3.29Å
230H91.4Very high93Very high26 Ų2626.4 Ų26.412%0.1213%0.133CC..THydrogen-bonded Turntrans-82.5-417768-62.9000114.2L75 Q80 F228L75-H230 PolarHBondContact O-NE2 3.49Å; Q80-H230 HydrophobicContact CG-CB 4.21Å; Q80-H230 VanDerWaalsContact CG-ND1 3.29Å; Q80-H230 WeakPolarHBondContact CG-ND1 2.85Å; Q80-H230 PolarHBondContact NE2-CE1 3.47Å; Q80-H230 VanDerWaalsContact NE2-CE1 3.29Å; Q80-H230 PolarHBondContact NE2-ND1 2.94Å; F228-H230 PolarHBondContact O-N 3.27Å
231L94.1Very high93Very high26 Ų2626 Ų2614%0.13613%0.131CC..SBendtrans-120145.3-177.8-60178.6000109.9I76 F228 P229 E235 N236 L239 F272 P273I76-L231 HydrophobicContact CD1-CD1 4.39Å; F228-L231 HydrophobicContact CB-CB 4.36Å; F228-L231 HydrophobicContact CB-CD1 3.94Å; F228-L231 HydrophobicContact CB-CG 4.24Å; F228-L231 HydrophobicContact CD2-CD1 4.08Å; F228-L231 HydrophobicContact CG-CD1 4.37Å; F228-L231 PolarHBondContact O-N 2.79Å; F228-L231 VanDerWaalsContact O-N 3.14Å; P229-L231 VanDerWaalsContact C-N 3.29Å; L231-E235 HydrophobicContact CB-CB 3.86Å; L231-E235 HydrophobicContact CD2-CB 4.46Å; L231-N236 PolarHBondContact O-ND2 2.87Å; L231-N236 VanDerWaalsContact O-ND2 3.12Å; L231-L239 HydrophobicContact CD1-CD2 3.66Å; L231-F272 VanDerWaalsContact C-CD1 3.47Å; L231-F272 WeakPolarHBondContact O-CD1 3.44Å; L231-P273 VanDerWaalsContact O-CD 3.26Å; L231-P273 WeakPolarHBondContact O-CD 3.38Å
232S95.3Very high93Very high10 Ų1027.6 Ų27.67%0.0714%0.14CC..  trans-64.2167.1171.359.10000111.9I234 E235 N236 K271S232-I234 VanDerWaalsContact C-N 3.33Å; S232-I234 PolarHBondContact O-N 2.96Å; S232-E235 WeakPolarHBondContact CB-OE2 3.28Å; S232-E235 PolarHBondContact N-OE2 2.82Å; S232-E235 PolarHBondContact O-N 3.27Å; S232-E235 VanDerWaalsContact O-N 3.14Å; S232-E235 WeakPolarHBondContact OG-CB 3.42Å; S232-E235 VanDerWaalsContact OG-CD 3.26Å; S232-E235 VanDerWaalsContact OG-CG 3.25Å; S232-E235 WeakPolarHBondContact OG-CG 3.43Å; S232-E235 PolarHBondContact OG-N 3.04Å; S232-E235 PolarHBondContact OG-OE2 2.89Å; S232-N236 PolarHBondContact O-N 3.43Å; S232-N236 PolarHBondContact O-ND2 3.32Å; S232-K271 CarbonylContact C-O 3.54Å; S232-K271 WeakPolarHBondContact CA-O 3.43Å; S232-K271 WeakPolarHBondContact CB-O 3.36Å
233I96.1Very high93.1Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-56.2-46.7177.4-59.2-44.1000111.2E235 N236 L237 L260 H268 K271 P273 L276 V284I233-E235 VanDerWaalsContact C-N 3.31Å; I233-E235 PolarHBondContact O-N 3.3Å; I233-N236 WeakPolarHBondContact O-CB 3.46Å; I233-N236 PolarHBondContact O-N 3.41Å; I233-L237 WeakPolarHBondContact O-CD1 3.47Å; I233-L237 PolarHBondContact O-N 3.47Å; I233-L260 HydrophobicContact CG2-CD1 3.99Å; I233-L260 HydrophobicContact CG2-CD2 3.57Å; I233-L260 HydrophobicContact CG2-CG 4.44Å; I233-H268 WeakPolarHBondContact CG1-O 3.03Å; I233-K271 HydrophobicContact CG1-CB 4.46Å; I233-K271 WeakPolarHBondContact CG1-O 3.47Å; I233-K271 PolarHBondContact N-O 3.13Å; I233-P273 HydrophobicContact CD1-CG 4.13Å; I233-L276 HydrophobicContact CD1-CD1 3.47Å; I233-L276 VanDerWaalsContact CD1-CD1 3.47Å; I233-L276 HydrophobicContact CD1-CG 4.27Å; I233-L276 HydrophobicContact CG1-CD1 3.91Å; I233-V284 HydrophobicContact CD1-CG1 4.3Å; I233-V284 HydrophobicContact CD1-CG2 4.43Å; I233-V284 HydrophobicContact CG2-CB 4.4Å; I233-V284 HydrophobicContact CG2-CG1 3.76Å; I233-V284 HydrophobicContact CG2-CG2 3.63Å
234I96Very high93.2Very high2 Ų230.5 Ų30.51%0.0116%0.155CC..Hα-helixtrans-66.8-31.2178.4-165.865.2000112.6S232 T238 R253 A256 L257 L260 A269S232-I234 VanDerWaalsContact C-N 3.33Å; S232-I234 PolarHBondContact O-N 2.96Å; I234-T238 HydrophobicContact CD1-CG2 4.47Å; I234-T238 HydrophobicContact CG1-CG2 4.42Å; I234-T238 WeakPolarHBondContact O-CB 3.44Å; I234-T238 VanDerWaalsContact O-CG2 3.24Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 3.19Å; I234-T238 PolarHBondContact O-OG1 3.48Å; I234-R253 HydrophobicContact CD1-CG 4.13Å; I234-R253 HydrophobicContact CG1-CG 3.98Å; I234-A256 HydrophobicContact CD1-CB 3.54Å; I234-L257 HydrophobicContact CD1-CD2 3.94Å; I234-L257 HydrophobicContact CD1-CG 3.88Å; I234-L260 HydrophobicContact CD1-CD1 4.13Å; I234-A269 HydrophobicContact CB-CB 4.31Å; I234-A269 VanDerWaalsContact CB-O 3.26Å; I234-A269 WeakPolarHBondContact CB-O 3.22Å; I234-A269 VanDerWaalsContact CG2-O 3.24Å; I234-A269 WeakPolarHBondContact CG2-O 3.17Å; I234-A269 PolarHBondContact N-O 3.05Å
235E95.5Very high93.5Very high86 Ų8627.2 Ų27.240%0.40214%0.141SC..Hα-helixtrans-72.8-37.4174.2-73.5170.1129.800112.1L231 S232 I233 L237 T238 L239L231-E235 HydrophobicContact CB-CB 3.86Å; L231-E235 HydrophobicContact CD2-CB 4.46Å; S232-E235 WeakPolarHBondContact CB-OE2 3.28Å; S232-E235 PolarHBondContact N-OE2 2.82Å; S232-E235 PolarHBondContact O-N 3.27Å; S232-E235 VanDerWaalsContact O-N 3.14Å; S232-E235 WeakPolarHBondContact OG-CB 3.42Å; S232-E235 VanDerWaalsContact OG-CD 3.26Å; S232-E235 VanDerWaalsContact OG-CG 3.25Å; S232-E235 WeakPolarHBondContact OG-CG 3.43Å; S232-E235 PolarHBondContact OG-N 3.04Å; S232-E235 PolarHBondContact OG-OE2 2.89Å; I233-E235 VanDerWaalsContact C-N 3.31Å; I233-E235 PolarHBondContact O-N 3.3Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.95Å; E235-T238 WeakPolarHBondContact CA-OG1 3.34Å; E235-T238 PolarHBondContact O-N 3.4Å; E235-L239 VanDerWaalsContact O-CB 3.24Å; E235-L239 WeakPolarHBondContact O-CB 3.39Å; E235-L239 PolarHBondContact O-N 2.95Å
236N96Very high93.7Very high1 Ų133.7 Ų33.71%0.00517%0.169CC..Hα-helixtrans-55.2-44.2171.6-92.6-86.7000111.8F228 L231 S232 I233F228-N236 WeakPolarHBondContact CB-OD1 3.28Å; F228-N236 VanDerWaalsContact CD2-OD1 3.25Å; F228-N236 WeakPolarHBondContact CD2-OD1 3.26Å; F228-N236 PolarHBondContact N-OD1 3.48Å; F228-N236 PolarHBondContact O-ND2 3.04Å; L231-N236 PolarHBondContact O-ND2 2.87Å; L231-N236 VanDerWaalsContact O-ND2 3.12Å; S232-N236 PolarHBondContact O-N 3.43Å; S232-N236 PolarHBondContact O-ND2 3.32Å; I233-N236 WeakPolarHBondContact O-CB 3.46Å; I233-N236 PolarHBondContact O-N 3.41Å
237L96.1Very high93.8Very high2 Ų235.7 Ų35.71%0.0118%0.176CC..Hα-helixtrans-76.9-29.1179.1-87.765.2000113.9I233 E235 Q241 A256 L260 V284 A287 R288I233-L237 WeakPolarHBondContact O-CD1 3.47Å; I233-L237 PolarHBondContact O-N 3.47Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 2.95Å; L237-Q241 PolarHBondContact O-NE2 3.28Å; L237-A256 HydrophobicContact CB-CB 3.63Å; L237-A256 HydrophobicContact CD2-CB 3.98Å; L237-A256 WeakPolarHBondContact CD2-O 3.33Å; L237-A256 HydrophobicContact CG-CB 4.46Å; L237-L260 HydrophobicContact CD2-CD1 4.17Å; L237-L260 HydrophobicContact CD2-CD2 3.85Å; L237-L260 HydrophobicContact CD2-CG 3.63Å; L237-V284 HydrophobicContact CD1-CG1 3.74Å; L237-A287 HydrophobicContact CD2-CB 3.96Å; L237-A287 HydrophobicContact CG-CB 4.48Å; L237-R288 HydrophobicContact CD1-CB 3.94Å; L237-R288 HydrophobicContact CG-CB 4.34Å
238T96.2Very high93.7Very high22 Ų2241.4 Ų41.414%0.13521%0.206CC..Hα-helixtrans-95.6-23-17554.20000114.6I234 E235 A240 Q241 V242 A252 R253 A256I234-T238 HydrophobicContact CD1-CG2 4.47Å; I234-T238 HydrophobicContact CG1-CG2 4.42Å; I234-T238 WeakPolarHBondContact O-CB 3.44Å; I234-T238 VanDerWaalsContact O-CG2 3.24Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 3.19Å; I234-T238 PolarHBondContact O-OG1 3.48Å; E235-T238 WeakPolarHBondContact CA-OG1 3.34Å; E235-T238 PolarHBondContact O-N 3.4Å; T238-A240 PolarHBondContact O-N 2.98Å; T238-Q241 PolarHBondContact O-N 3.07Å; T238-V242 WeakPolarHBondContact O-CG2 3.23Å; T238-V242 PolarHBondContact O-N 2.84Å; T238-A252 HydrophobicContact CG2-CB 4.39Å; T238-R253 HydrophobicContact CG2-CB 4.22Å; T238-A256 HydrophobicContact CG2-CB 3.67Å
239L94.8Very high93.5Very high27 Ų2749.3 Ų49.314%0.14124%0.241CC..Hα-helixtrans-57.9-51.5-173.5179.364.6000112.5M67 L75 I76 L231 E235 V242 K243M67-L239 HydrophobicContact CE-CD2 3.79Å; M67-L239 HydrophobicContact CE-CG 3.94Å; L75-L239 HydrophobicContact CB-CD2 4.41Å; L75-L239 HydrophobicContact CD1-CD1 4.36Å; I76-L239 HydrophobicContact CD1-CD2 3.56Å; L231-L239 HydrophobicContact CD1-CD2 3.66Å; E235-L239 VanDerWaalsContact O-CB 3.24Å; E235-L239 WeakPolarHBondContact O-CB 3.39Å; E235-L239 PolarHBondContact O-N 2.95Å; L239-V242 PolarHBondContact O-N 2.99Å; L239-K243 HydrophobicContact CD1-CG 3.73Å; L239-K243 HydrophobicContact CG-CG 4.47Å; L239-K243 VanDerWaalsContact O-CB 3.26Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 VanDerWaalsContact O-CG 3.29Å; L239-K243 WeakPolarHBondContact O-CG 3.32Å; L239-K243 PolarHBondContact O-N 3.48Å
240A93Very high93.5Very high2 Ų249.7 Ų49.72%0.01725%0.249CC..Hα-helixtrans-69.6-37.5-178.900000112.4L65 M67 T238 V242 K243 V244 L245 M292L65-A240 HydrophobicContact CB-CB 3.74Å; L65-A240 HydrophobicContact CD1-CB 4.1Å; L65-A240 HydrophobicContact CD2-CB 4.31Å; L65-A240 HydrophobicContact CG-CB 4.27Å; M67-A240 HydrophobicContact CE-CB 4.13Å; T238-A240 PolarHBondContact O-N 2.98Å; A240-V242 VanDerWaalsContact C-N 3.3Å; A240-V242 PolarHBondContact O-N 2.78Å; A240-K243 PolarHBondContact O-N 2.98Å; A240-V244 HydrophobicContact CB-CG2 4.44Å; A240-V244 WeakPolarHBondContact O-CA 3.43Å; A240-V244 VanDerWaalsContact O-CB 3.27Å; A240-V244 WeakPolarHBondContact O-CB 3.32Å; A240-V244 PolarHBondContact O-N 3.2Å; A240-L245 PolarHBondContact O-N 2.95Å; A240-M292 HydrophobicContact CB-CE 4.15Å; A240-M292 HydrophobicContact CB-SD 3.46Å; A240-M292 WeakPolarHBondContact CB-SD 3.15Å
241Q95.2Very high93.5Very high1 Ų152 Ų521%0.00527%0.266CS..Hα-helixtrans-55.9-44172.8-67-169.773.300112.3L237 T238 L245 K246 R247 A252 C291L237-Q241 PolarHBondContact O-NE2 3.28Å; T238-Q241 PolarHBondContact O-N 3.07Å; Q241-L245 CarbonylContact O-C 3.55Å; Q241-L245 WeakPolarHBondContact O-CB 3.37Å; Q241-K246 PolarHBondContact O-N 3.35Å; Q241-K246 VanDerWaalsContact O-N 3.13Å; Q241-R247 WeakPolarHBondContact O-CB 3.44Å; Q241-R247 PolarHBondContact O-N 3.03Å; Q241-A252 HydrophobicContact CB-CB 3.85Å; Q241-A252 PolarHBondContact NE2-O 3.4Å; Q241-A252 VanDerWaalsContact NE2-O 3.15Å; Q241-C291 HydrophobicContact CG-CB 4.02Å; Q241-C291 WeakPolarHBondContact CG-O 3.4Å
242V94.1Very high93.5Very high34 Ų3450.7 Ų50.721%0.20626%0.26CS..Hα-helixtrans-80.7-34.5-178.61770000112.4T238 L239 A240 K246 K249 A252T238-V242 WeakPolarHBondContact O-CG2 3.23Å; T238-V242 PolarHBondContact O-N 2.84Å; L239-V242 PolarHBondContact O-N 2.99Å; A240-V242 VanDerWaalsContact C-N 3.3Å; A240-V242 PolarHBondContact O-N 2.78Å; V242-K246 WeakPolarHBondContact O-CA 3.48Å; V242-K249 HydrophobicContact CG1-CG 4.23Å; V242-K249 HydrophobicContact CG2-CG 4.19Å; V242-A252 HydrophobicContact CG2-CB 3.85Å
243K92.7Very high93.4Very high104 Ų10455.4 Ų55.445%0.45228%0.276SS..Hα-helixtrans-97.5-26.6-172.4-62.2-60.6-174-176.90115.2Q71 L75 L239 A240Q71-K243 PolarHBondContact NE2-O 2.82Å; L75-K243 HydrophobicContact CD1-CB 4.18Å; L75-K243 HydrophobicContact CD1-CG 3.96Å; L239-K243 HydrophobicContact CD1-CG 3.73Å; L239-K243 HydrophobicContact CG-CG 4.47Å; L239-K243 VanDerWaalsContact O-CB 3.26Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 VanDerWaalsContact O-CG 3.29Å; L239-K243 WeakPolarHBondContact O-CG 3.32Å; L239-K243 PolarHBondContact O-N 3.48Å; A240-K243 PolarHBondContact O-N 2.98Å
244V91Very high93.3Very high30 Ų3060.3 Ų60.318%0.18230%0.299CS..THydrogen-bonded Turntrans-104.7-57.9179.6-177.80000109.5G66 M67 A240 K246 M292G66-V244 WeakPolarHBondContact O-CG1 3.49Å; M67-V244 HydrophobicContact CB-CG2 4.44Å; M67-V244 HydrophobicContact CG-CG2 3.71Å; A240-V244 HydrophobicContact CB-CG2 4.44Å; A240-V244 WeakPolarHBondContact O-CA 3.43Å; A240-V244 VanDerWaalsContact O-CB 3.27Å; A240-V244 WeakPolarHBondContact O-CB 3.32Å; A240-V244 PolarHBondContact O-N 3.2Å; V244-K246 PolarHBondContact O-N 3.2Å; V244-M292 HydrophobicContact CB-CE 4.31Å; V244-M292 HydrophobicContact CG1-CE 4.25Å
245L91.5Very high93.2Very high54 Ų5463 Ų6328%0.28331%0.31SS..SBendtrans-78.5-4.8179.9-55.6-178.3000114A240 Q241 R247 M292A240-L245 PolarHBondContact O-N 2.95Å; Q241-L245 CarbonylContact O-C 3.55Å; Q241-L245 WeakPolarHBondContact O-CB 3.37Å; L245-R247 HydrophobicContact CB-CG 4.13Å; L245-R247 PolarHBondContact O-N 3.24Å; L245-M292 HydrophobicContact CD1-CE 3.83Å; L245-M292 HydrophobicContact CD1-SD 3.94Å; L245-M292 HydrophobicContact CD2-CE 3.9Å; L245-M292 HydrophobicContact CG-CE 3.61Å; L245-M292 HydrophobicContact CG-SD 4.21Å
246K91.4Very high93.2Very high179 Ų17958.9 Ų58.978%0.77829%0.291SS*.  trans5430.8179.5-56179.9-176.1175.40114.1Q241 V242 V244Q241-K246 PolarHBondContact O-N 3.35Å; Q241-K246 VanDerWaalsContact O-N 3.13Å; V242-K246 WeakPolarHBondContact O-CA 3.48Å; V244-K246 PolarHBondContact O-N 3.2Å
247R91.6Very high93.1Very high70 Ų7061.9 Ų61.926%0.26431%0.307SS..  trans-70.7146.5174.8-64.8-178.3-179.5160.11.9110.9Q241 L245 A252 C291 D293Q241-R247 WeakPolarHBondContact O-CB 3.44Å; Q241-R247 PolarHBondContact O-N 3.03Å; L245-R247 HydrophobicContact CB-CG 4.13Å; L245-R247 PolarHBondContact O-N 3.24Å; R247-A252 HydrophobicContact CB-CB 4.25Å; R247-C291 PolarHBondContact NH1-O 3.16Å; R247-D293 IonicContact CZ-OD2 3.33Å; R247-D293 IonicContact NH1-OD2 3.25Å; R247-D293 PolarHBondContact NH1-OD2 3.49Å; R247-D293 IonicContact NH2-OD2 2.65Å; R247-D293 PolarHBondContact NH2-OD2 2.75Å
248D90.9Very high93Very high127 Ų12767.3 Ų67.368%0.67933%0.33SS*.  trans-61.5144.2170.3-74.4-46.5000111.1A250 P251 A252D248-A250 VanDerWaalsContact C-N 3.27Å; D248-A250 PolarHBondContact O-N 3.33Å; D248-P251 HydrophobicContact CB-CG 4.19Å; D248-P251 WeakPolarHBondContact O-CD 3.41Å; D248-A252 WeakPolarHBondContact O-CB 3.34Å; D248-A252 PolarHBondContact O-N 3.4Å
249K90Very high92.9Very high167 Ų16767.2 Ų67.273%0.72633%0.329SS*.Hα-helixtrans-57.1-37.8-174.1-71.1-176.1175.9-176.40113.4V242 R253V242-K249 HydrophobicContact CG1-CG 4.23Å; V242-K249 HydrophobicContact CG2-CG 4.19Å; K249-R253 VanDerWaalsContact O-CB 3.32Å; K249-R253 WeakPolarHBondContact O-CB 3.31Å; K249-R253 PolarHBondContact O-N 3.1Å
250A90.5Very high92.9Very high74 Ų7466 Ų6661%0.61232%0.322SS*.Hα-helixtrans-71.2-54.9-17700000112.1D248 A252 R253 E254D248-A250 VanDerWaalsContact C-N 3.27Å; D248-A250 PolarHBondContact O-N 3.33Å; A250-A252 VanDerWaalsContact C-N 3.3Å; A250-A252 PolarHBondContact O-N 3.39Å; A250-R253 PolarHBondContact O-N 2.95Å; A250-R253 VanDerWaalsContact O-N 3.14Å; A250-E254 PolarHBondContact O-N 2.93Å
251P91.9Very high92.9Very high73 Ų7372.1 Ų72.147%0.47435%0.351SS..Hα-helixtrans-56.5-38.5171.6-27.534.8000114.1D248 E254 K255D248-P251 HydrophobicContact CB-CG 4.19Å; D248-P251 WeakPolarHBondContact O-CD 3.41Å; P251-E254 PolarHBondContact O-N 2.87Å; P251-K255 PolarHBondContact O-N 3.32Å
252A92.9Very high92.7Very high0 Ų075.6 Ų75.60%036%0.364CS..Hα-helixtrans-62.4-43.517600000112T238 Q241 V242 R247 D248 A250 A256T238-A252 HydrophobicContact CG2-CB 4.39Å; Q241-A252 HydrophobicContact CB-CB 3.85Å; Q241-A252 PolarHBondContact NE2-O 3.4Å; Q241-A252 VanDerWaalsContact NE2-O 3.15Å; V242-A252 HydrophobicContact CG2-CB 3.85Å; R247-A252 HydrophobicContact CB-CB 4.25Å; D248-A252 WeakPolarHBondContact O-CB 3.34Å; D248-A252 PolarHBondContact O-N 3.4Å; A250-A252 VanDerWaalsContact C-N 3.3Å; A250-A252 PolarHBondContact O-N 3.39Å; A252-A256 VanDerWaalsContact O-CB 3.29Å; A252-A256 WeakPolarHBondContact O-CB 3.4Å; A252-A256 PolarHBondContact O-N 3.44Å
253R94.4Very high92.5Very high108 Ų10874.1 Ų74.141%0.40836%0.355SS..Hα-helixtrans-66.9-39.1175.8-172.8177.8178.795.83.6112I234 T238 K249 A250 A256 L257 N270I234-R253 HydrophobicContact CD1-CG 4.13Å; I234-R253 HydrophobicContact CG1-CG 3.98Å; T238-R253 HydrophobicContact CG2-CB 4.22Å; K249-R253 VanDerWaalsContact O-CB 3.32Å; K249-R253 WeakPolarHBondContact O-CB 3.31Å; K249-R253 PolarHBondContact O-N 3.1Å; A250-R253 PolarHBondContact O-N 2.95Å; A250-R253 VanDerWaalsContact O-N 3.14Å; R253-A256 PolarHBondContact O-N 3.12Å; R253-L257 HydrophobicContact CG-CD1 4.17Å; R253-L257 HydrophobicContact CG-CG 4.48Å; R253-L257 WeakPolarHBondContact O-CG 3.5Å; R253-L257 PolarHBondContact O-N 3.08Å; R253-N270 PolarHBondContact NH2-OD1 3.28Å
254E93.4Very high92.4Very high103 Ų10371.8 Ų71.848%0.48136%0.36SS..Hα-helixtrans-62-48.8175.8-168.9-166.2149.600111.4A250 P251 A256 L257 K258A250-E254 PolarHBondContact O-N 2.93Å; P251-E254 PolarHBondContact O-N 2.87Å; E254-A256 VanDerWaalsContact C-N 3.32Å; E254-A256 PolarHBondContact O-N 2.67Å; E254-L257 PolarHBondContact O-N 2.85Å; E254-K258 PolarHBondContact O-N 3.24Å; E254-K258 VanDerWaalsContact OE1-CE 3.31Å; E254-K258 WeakPolarHBondContact OE1-CE 3.37Å; E254-K258 IonicContact OE1-NZ 2.95Å; E254-K258 PolarHBondContact OE1-NZ 3.26Å
255K94Very high92.5Very high58 Ų5870.5 Ų70.525%0.25235%0.352SS..Hα-helixtrans-59.7-43.6175.2-171.1-169.1177.690.80111.6P251 K258 L259 C291 D293P251-K255 PolarHBondContact O-N 3.32Å; K255-K258 PolarHBondContact O-N 3.2Å; K255-L259 HydrophobicContact CG-CD1 4.19Å; K255-L259 PolarHBondContact O-N 3Å; K255-C291 WeakPolarHBondContact CE-O 3.27Å; K255-D293 VanDerWaalsContact CE-OD2 3.3Å; K255-D293 WeakPolarHBondContact CE-OD2 3.4Å; K255-D293 IonicContact NZ-OD1 3.29Å; K255-D293 PolarHBondContact NZ-OD1 2.86Å; K255-D293 IonicContact NZ-OD2 3.6Å; K255-D293 PolarHBondContact NZ-OD2 3.31Å
256A95.2Very high92.4Very high0 Ų070.5 Ų70.50%036%0.357CS..Hα-helixtrans-64-39.217900000112.5I234 L237 T238 A252 R253 E254 L259 L260I234-A256 HydrophobicContact CD1-CB 3.54Å; L237-A256 HydrophobicContact CB-CB 3.63Å; L237-A256 HydrophobicContact CD2-CB 3.98Å; L237-A256 WeakPolarHBondContact CD2-O 3.33Å; L237-A256 HydrophobicContact CG-CB 4.46Å; T238-A256 HydrophobicContact CG2-CB 3.67Å; A252-A256 VanDerWaalsContact O-CB 3.29Å; A252-A256 WeakPolarHBondContact O-CB 3.4Å; A252-A256 PolarHBondContact O-N 3.44Å; R253-A256 PolarHBondContact O-N 3.12Å; E254-A256 VanDerWaalsContact C-N 3.32Å; E254-A256 PolarHBondContact O-N 2.67Å; A256-L259 PolarHBondContact O-N 2.73Å; A256-L260 WeakPolarHBondContact O-CG 3.16Å; A256-L260 PolarHBondContact O-N 3.29Å
257L95.1Very high92.3Very high64 Ų6466.5 Ų66.534%0.33536%0.357SS..Hα-helixtrans-65.3-43.5174.2-73.4168.6000112I234 R253 E254 L259 L260 E261 A269I234-L257 HydrophobicContact CD1-CD2 3.94Å; I234-L257 HydrophobicContact CD1-CG 3.88Å; R253-L257 HydrophobicContact CG-CD1 4.17Å; R253-L257 HydrophobicContact CG-CG 4.48Å; R253-L257 WeakPolarHBondContact O-CG 3.5Å; R253-L257 PolarHBondContact O-N 3.08Å; E254-L257 PolarHBondContact O-N 2.85Å; L257-L259 VanDerWaalsContact C-N 3.3Å; L257-L259 PolarHBondContact O-N 2.92Å; L257-L260 PolarHBondContact O-N 3.29Å; L257-E261 WeakPolarHBondContact O-CB 3.45Å; L257-E261 PolarHBondContact O-N 3.01Å; L257-A269 HydrophobicContact CD2-CB 3.95Å
258K93.7Very high92.3Very high117 Ų11764.7 Ų64.751%0.50935%0.352SS..Hα-helixtrans-62.6-35.3175.5-69.7178-173.6172.40112.9E254 K255 E261 R262E254-K258 PolarHBondContact O-N 3.24Å; E254-K258 VanDerWaalsContact OE1-CE 3.31Å; E254-K258 WeakPolarHBondContact OE1-CE 3.37Å; E254-K258 IonicContact OE1-NZ 2.95Å; E254-K258 PolarHBondContact OE1-NZ 3.26Å; K255-K258 PolarHBondContact O-N 3.2Å; K258-E261 WeakPolarHBondContact O-CB 3.47Å; K258-E261 PolarHBondContact O-N 3.02Å; K258-R262 WeakPolarHBondContact O-CB 3.38Å; K258-R262 PolarHBondContact O-N 3.29Å
259L94.1Very high92.4Very high20 Ų2058.9 Ų58.911%0.10532%0.322CS..Hα-helixtrans-74.5-31.2174.7-75.2169.5000112.6K255 A256 L257 V263 A287 L290 C291K255-L259 HydrophobicContact CG-CD1 4.19Å; K255-L259 PolarHBondContact O-N 3Å; A256-L259 PolarHBondContact O-N 2.73Å; L257-L259 VanDerWaalsContact C-N 3.3Å; L257-L259 PolarHBondContact O-N 2.92Å; L259-V263 PolarHBondContact O-N 2.87Å; L259-V263 VanDerWaalsContact O-N 3.17Å; L259-A287 HydrophobicContact CB-CB 4.24Å; L259-L290 HydrophobicContact CD1-CB 3.96Å; L259-L290 HydrophobicContact CD2-CB 3.96Å; L259-L290 HydrophobicContact CD2-CD1 4.06Å; L259-C291 HydrophobicContact CD1-CB 4.27Å; L259-C291 VanDerWaalsContact CD1-SG 3.51Å
260L94.7Very high92.6Very high0 Ų056.5 Ų56.50%032%0.317CS..Hα-helixtrans-68.4-37.1169.2-71.4171.2000112.1I233 I234 L237 A256 L257 V263 G264 L265 S266 A269 V284I233-L260 HydrophobicContact CG2-CD1 3.99Å; I233-L260 HydrophobicContact CG2-CD2 3.57Å; I233-L260 HydrophobicContact CG2-CG 4.44Å; I234-L260 HydrophobicContact CD1-CD1 4.13Å; L237-L260 HydrophobicContact CD2-CD1 4.17Å; L237-L260 HydrophobicContact CD2-CD2 3.85Å; L237-L260 HydrophobicContact CD2-CG 3.63Å; A256-L260 WeakPolarHBondContact O-CG 3.16Å; A256-L260 PolarHBondContact O-N 3.29Å; L257-L260 PolarHBondContact O-N 3.29Å; L260-V263 PolarHBondContact O-N 3.27Å; L260-G264 PolarHBondContact O-N 3.48Å; L260-L265 HydrophobicContact CD2-CB 4.29Å; L260-L265 PolarHBondContact O-N 2.9Å; L260-S266 PolarHBondContact O-N 3.42Å; L260-A269 HydrophobicContact CD1-CB 3.69Å; L260-V284 HydrophobicContact CD2-CG2 4.15Å
261E92.6Very high92.8Very high131 Ų13156.6 Ų56.661%0.61230%0.303SS*.Hα-helixtrans-61.4-48.7173-172.3172.5-158.400111L257 K258 V263 G264 S266L257-E261 WeakPolarHBondContact O-CB 3.45Å; L257-E261 PolarHBondContact O-N 3.01Å; K258-E261 WeakPolarHBondContact O-CB 3.47Å; K258-E261 PolarHBondContact O-N 3.02Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.38Å; E261-G264 PolarHBondContact O-N 2.8Å; E261-S266 WeakPolarHBondContact CA-OG 3.1Å; E261-S266 VanDerWaalsContact CB-OG 3.29Å; E261-S266 WeakPolarHBondContact CB-OG 3.1Å; E261-S266 PolarHBondContact N-OG 3.25Å
262R90.5Very high92.9Very high74 Ų7456.8 Ų56.828%0.27930%0.297SS..Hα-helixtrans-55.9-41176.5-173.7175.4176.9-178.1-6.5113.3K258 G264 E320 E324K258-R262 WeakPolarHBondContact O-CB 3.38Å; K258-R262 PolarHBondContact O-N 3.29Å; R262-G264 VanDerWaalsContact C-N 3.32Å; R262-E320 IonicContact CZ-OE1 2.7Å; R262-E320 IonicContact NE-OE1 3.37Å; R262-E320 PolarHBondContact NE-OE1 3.37Å; R262-E320 IonicContact NH2-OE1 2.95Å; R262-E320 PolarHBondContact NH2-OE1 2.71Å; R262-E324 IonicContact CZ-OE1 3.53Å; R262-E324 IonicContact CZ-OE2 2.78Å; R262-E324 IonicContact NH1-OE1 3.68Å; R262-E324 PolarHBondContact NH1-OE1 3.3Å; R262-E324 IonicContact NH1-OE2 2.6Å; R262-E324 PolarHBondContact NH1-OE2 2.91Å; R262-E324 IonicContact NH2-OE1 3.72Å; R262-E324 PolarHBondContact NH2-OE1 2.85Å; R262-E324 VanDerWaalsContact NH2-OE1 3.13Å; R262-E324 IonicContact NH2-OE2 3.29Å; R262-E324 PolarHBondContact NH2-OE2 3.11Å
263V91.4Very high92.8Very high4 Ų457 Ų572%0.02430%0.298CS..THydrogen-bonded Turntrans-88.48.9177-51.90000114.1L259 L260 E261 L265 R283 A287 V317L259-V263 PolarHBondContact O-N 2.87Å; L259-V263 VanDerWaalsContact O-N 3.17Å; L260-V263 PolarHBondContact O-N 3.27Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.38Å; V263-L265 HydrophobicContact CG2-CB 4.22Å; V263-L265 HydrophobicContact CG2-CD1 4.06Å; V263-L265 HydrophobicContact CG2-CG 4.19Å; V263-R283 HydrophobicContact CB-CB 4.13Å; V263-R283 HydrophobicContact CG2-CB 4.24Å; V263-R283 PolarHBondContact O-NH1 3.45Å; V263-A287 HydrophobicContact CG1-CB 4.18Å; V263-A287 HydrophobicContact CG2-CB 4.15Å; V263-V317 HydrophobicContact CB-CG2 4.37Å; V263-V317 HydrophobicContact CG1-CG1 3.85Å; V263-V317 HydrophobicContact CG1-CG2 4.36Å
264G90Very high92.6Very high55 Ų5556.2 Ų56.257%0.56732%0.315SS*.THydrogen-bonded Turntrans77.920.1175.700000116.2L260 E261 R262L260-G264 PolarHBondContact O-N 3.48Å; E261-G264 PolarHBondContact O-N 2.8Å; R262-G264 VanDerWaalsContact C-N 3.32Å
265L92.9Very high92.5Very high2 Ų256.4 Ų56.41%0.0132%0.316CS..  trans-123.519.4-169.8-61.4177.7000115.2L260 V263 A267 H268 Q280 R283 V284L260-L265 HydrophobicContact CD2-CB 4.29Å; L260-L265 PolarHBondContact O-N 2.9Å; V263-L265 HydrophobicContact CG2-CB 4.22Å; V263-L265 HydrophobicContact CG2-CD1 4.06Å; V263-L265 HydrophobicContact CG2-CG 4.19Å; L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.01Å; L265-H268 HydrophobicContact CB-CB 4.44Å; L265-H268 WeakPolarHBondContact O-CB 3.27Å; L265-H268 PolarHBondContact O-N 3.31Å; L265-Q280 HydrophobicContact CD1-CB 4.24Å; L265-Q280 VanDerWaalsContact CD1-O 3.28Å; L265-Q280 WeakPolarHBondContact CD1-O 3.27Å; L265-Q280 HydrophobicContact CD2-CB 4.17Å; L265-Q280 HydrophobicContact CD2-CG 3.86Å; L265-R283 HydrophobicContact CD1-CB 3.78Å; L265-V284 HydrophobicContact CD1-CG2 3.69Å
266S89.3Confident92.3Very high55 Ų5554.3 Ų54.339%0.38531%0.307SS..G310 helixtrans-48.7-43.4176.9-70.90000114.2L260 E261 H268 A269L260-S266 PolarHBondContact O-N 3.42Å; E261-S266 WeakPolarHBondContact CA-OG 3.1Å; E261-S266 VanDerWaalsContact CB-OG 3.29Å; E261-S266 WeakPolarHBondContact CB-OG 3.1Å; E261-S266 PolarHBondContact N-OG 3.25Å; S266-H268 PolarHBondContact O-N 2.99Å; S266-A269 WeakPolarHBondContact O-CB 3.44Å; S266-A269 PolarHBondContact O-N 3.16Å
267A89.1Confident92Very high95 Ų9556.1 Ų56.179%0.78532%0.32SS*.G310 helixtrans-66-17.2-179.900000113.7L265L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.01Å
268H92.4Very high91.6Very high32 Ų3254 Ų5415%0.14831%0.313CS..G310 helixtrans-96.5-1.4-175.3-63.7-120.9000112.7I233 L265 S266 N270 K271 L276 Q280I233-H268 WeakPolarHBondContact CG1-O 3.03Å; L265-H268 HydrophobicContact CB-CB 4.44Å; L265-H268 WeakPolarHBondContact O-CB 3.27Å; L265-H268 PolarHBondContact O-N 3.31Å; S266-H268 PolarHBondContact O-N 2.99Å; H268-N270 PolarHBondContact O-N 3.26Å; H268-K271 HydrophobicContact CB-CD 4.2Å; H268-K271 PolarHBondContact ND1-NZ 3.39Å; H268-K271 WeakPolarHBondContact O-CB 3.42Å; H268-K271 PolarHBondContact O-N 2.96Å; H268-L276 HydrophobicContact CB-CD2 3.8Å; H268-L276 WeakPolarHBondContact ND1-CD2 3.23Å; H268-Q280 PolarHBondContact CE1-OE1 3.4Å
269A93.1Very high91.3Very high5 Ų548.4 Ų48.44%0.04129%0.289CS..THydrogen-bonded Turntrans-52.5-34.3-172.900000115.3I234 L257 L260 S266I234-A269 HydrophobicContact CB-CB 4.31Å; I234-A269 VanDerWaalsContact CB-O 3.26Å; I234-A269 WeakPolarHBondContact CB-O 3.22Å; I234-A269 VanDerWaalsContact CG2-O 3.24Å; I234-A269 WeakPolarHBondContact CG2-O 3.17Å; I234-A269 PolarHBondContact N-O 3.05Å; L257-A269 HydrophobicContact CD2-CB 3.95Å; L260-A269 HydrophobicContact CD1-CB 3.69Å; S266-A269 WeakPolarHBondContact O-CB 3.44Å; S266-A269 PolarHBondContact O-N 3.16Å
270N93.6Very high91.2Very high117 Ų11749.6 Ų49.663%0.62629%0.294SS*.THydrogen-bonded Turntrans-97.7-0.2-179.4-57.7-39.5000113.8R253 H268R253-N270 PolarHBondContact NH2-OD1 3.28Å; H268-N270 PolarHBondContact O-N 3.26Å
271K94.3Very high91.1Very high75 Ų7551.3 Ų51.333%0.32630%0.302SS..SBendtrans-73.1167.1173.3-67.4-174.9175.9-1780110.8S232 I233 H268 Q275 L276S232-K271 CarbonylContact C-O 3.54Å; S232-K271 WeakPolarHBondContact CA-O 3.43Å; S232-K271 WeakPolarHBondContact CB-O 3.36Å; I233-K271 HydrophobicContact CG1-CB 4.46Å; I233-K271 WeakPolarHBondContact CG1-O 3.47Å; I233-K271 PolarHBondContact N-O 3.13Å; H268-K271 HydrophobicContact CB-CD 4.2Å; H268-K271 PolarHBondContact ND1-NZ 3.39Å; H268-K271 WeakPolarHBondContact O-CB 3.42Å; H268-K271 PolarHBondContact O-N 2.96Å; K271-Q275 HydrophobicContact CB-CB 4.25Å; K271-Q275 HydrophobicContact CD-CB 4.21Å; K271-L276 HydrophobicContact CD-CD2 4.03Å
272F94.1Very high91.1Very high78 Ų7845.1 Ų45.134%0.34227%0.273SS..  trans-97.5157.4166.9-68.2-90.3000110.7L231 A274 Q275L231-F272 VanDerWaalsContact C-CD1 3.47Å; L231-F272 WeakPolarHBondContact O-CD1 3.44Å; F272-A274 VanDerWaalsContact C-N 3.26Å; F272-A274 PolarHBondContact O-N 3.35Å; F272-A274 VanDerWaalsContact O-N 3.14Å; F272-Q275 WeakPolarHBondContact O-CB 3.34Å; F272-Q275 PolarHBondContact O-N 2.81Å
273P92.1Very high91.3Very high5 Ų542.6 Ų42.63%0.03226%0.263CS..G310 helixtrans-49.8-40.1-177.9-33.238000115.2L227 L231 I233 Q275 L276 Q281L227-P273 HydrophobicContact CB-CB 3.91Å; L227-P273 HydrophobicContact CB-CG 3.67Å; L227-P273 HydrophobicContact CD1-CB 3.98Å; L227-P273 HydrophobicContact CD1-CG 4.1Å; L231-P273 VanDerWaalsContact O-CD 3.26Å; L231-P273 WeakPolarHBondContact O-CD 3.38Å; I233-P273 HydrophobicContact CD1-CG 4.13Å; P273-Q275 PolarHBondContact O-N 3.25Å; P273-L276 PolarHBondContact O-N 2.7Å; P273-Q281 WeakPolarHBondContact O-CG 3.26Å; P273-Q281 PolarHBondContact O-NE2 3.34Å
274A89.4Confident91.5Very high91 Ų9142.4 Ų42.475%0.75226%0.262SS*.G310 helixtrans-64.6-817900000115.1F272F272-A274 VanDerWaalsContact C-N 3.26Å; F272-A274 PolarHBondContact O-N 3.35Å; F272-A274 VanDerWaalsContact O-N 3.14Å
275Q91.1Very high91.7Very high107 Ų10739.9 Ų39.950%0.524%0.236SC..G310 helixtrans-103.720.6-179.6-52179.7-77.600112.7K271 F272 P273K271-Q275 HydrophobicContact CB-CB 4.25Å; K271-Q275 HydrophobicContact CD-CB 4.21Å; F272-Q275 WeakPolarHBondContact O-CB 3.34Å; F272-Q275 PolarHBondContact O-N 2.81Å; P273-Q275 PolarHBondContact O-N 3.25Å
276L89.9Confident91.8Very high13 Ų1339.8 Ų39.87%0.06824%0.235CC..SBendtrans-129.9143.8-177.3-61.1-170.7000110.2I233 H268 K271 P273 Q280 Q281 V284I233-L276 HydrophobicContact CD1-CD1 3.47Å; I233-L276 VanDerWaalsContact CD1-CD1 3.47Å; I233-L276 HydrophobicContact CD1-CG 4.27Å; I233-L276 HydrophobicContact CG1-CD1 3.91Å; H268-L276 HydrophobicContact CB-CD2 3.8Å; H268-L276 WeakPolarHBondContact ND1-CD2 3.23Å; K271-L276 HydrophobicContact CD-CD2 4.03Å; P273-L276 PolarHBondContact O-N 2.7Å; L276-Q280 HydrophobicContact CB-CB 3.91Å; L276-Q280 HydrophobicContact CD1-CB 4.4Å; L276-Q280 HydrophobicContact CD2-CB 4.49Å; L276-Q281 HydrophobicContact CB-CG 3.56Å; L276-Q281 HydrophobicContact CD1-CG 4.21Å; L276-Q281 HydrophobicContact CG-CG 4.43Å; L276-Q281 PolarHBondContact O-NE2 3.3Å; L276-V284 HydrophobicContact CD1-CG2 3.88Å
277S88.3Confident92.1Very high39 Ų3937.1 Ų37.127%0.27322%0.217SC..  trans-65.4165.9170.2730000111.7G279 Q280 Q281S277-G279 PolarHBondContact O-N 3.48Å; S277-Q280 WeakPolarHBondContact O-CB 3.35Å; S277-Q280 PolarHBondContact O-N 3.06Å; S277-Q280 VanDerWaalsContact O-N 3.13Å; S277-Q280 VanDerWaalsContact OG-CG 3.27Å; S277-Q280 WeakPolarHBondContact OG-CG 3.47Å; S277-Q281 WeakPolarHBondContact O-CG 3.38Å; S277-Q281 PolarHBondContact O-N 3.16Å
278G87.1Confident92.4Very high18 Ų1833 Ų3319%0.18618%0.181CC..Hα-helixtrans-54.8-50.2-179.300000113F225 Q280 Q281 Q282F225-G278 WeakPolarHBondContact CE1-O 3.44Å; F225-G278 VanDerWaalsContact CZ-CA 3.49Å; G278-Q280 VanDerWaalsContact C-N 3.3Å; G278-Q280 PolarHBondContact O-N 2.94Å; G278-Q281 PolarHBondContact O-N 3.08Å; G278-Q281 VanDerWaalsContact O-N 3.17Å; G278-Q282 PolarHBondContact O-N 3.46Å
279G87.1Confident92.4Very high0 Ų031.6 Ų31.60%018%0.175CC..Hα-helixtrans-61-37.4177.500000112.9S277 Q282 R283S277-G279 PolarHBondContact O-N 3.48Å; G279-Q282 PolarHBondContact O-N 3.42Å; G279-R283 WeakPolarHBondContact O-CB 3.34Å; G279-R283 WeakPolarHBondContact O-CG 3.33Å; G279-R283 PolarHBondContact O-N 3.39Å
280Q92.7Very high92.5Very high45 Ų4532 Ų3221%0.2118%0.176CC..Hα-helixtrans-67-42.5174.7-66.6176.23.900112.1L265 H268 L276 S277 G278 Q282 R283 V284L265-Q280 HydrophobicContact CD1-CB 4.24Å; L265-Q280 VanDerWaalsContact CD1-O 3.28Å; L265-Q280 WeakPolarHBondContact CD1-O 3.27Å; L265-Q280 HydrophobicContact CD2-CB 4.17Å; L265-Q280 HydrophobicContact CD2-CG 3.86Å; H268-Q280 PolarHBondContact CE1-OE1 3.4Å; L276-Q280 HydrophobicContact CB-CB 3.91Å; L276-Q280 HydrophobicContact CD1-CB 4.4Å; L276-Q280 HydrophobicContact CD2-CB 4.49Å; S277-Q280 WeakPolarHBondContact O-CB 3.35Å; S277-Q280 PolarHBondContact O-N 3.06Å; S277-Q280 VanDerWaalsContact O-N 3.13Å; S277-Q280 VanDerWaalsContact OG-CG 3.27Å; S277-Q280 WeakPolarHBondContact OG-CG 3.47Å; G278-Q280 VanDerWaalsContact C-N 3.3Å; G278-Q280 PolarHBondContact O-N 2.94Å; Q280-Q282 VanDerWaalsContact C-N 3.33Å; Q280-Q282 PolarHBondContact O-N 3.34Å; Q280-R283 PolarHBondContact O-N 2.93Å; Q280-V284 WeakPolarHBondContact O-CG2 3.45Å; Q280-V284 PolarHBondContact O-N 3.3Å
281Q93.3Very high92.5Very high37 Ų3726.4 Ų26.417%0.17315%0.146CC..Hα-helixtrans-63.1-40175.6-69.1-171.658.100111.4F225 L227 P273 L276 S277 G278 V284 A285F225-Q281 HydrophobicContact CB-CB 3.93Å; F225-Q281 HydrophobicContact CD1-CB 4.17Å; F225-Q281 HydrophobicContact CD2-CB 3.55Å; F225-Q281 HydrophobicContact CD2-CG 4.2Å; F225-Q281 HydrophobicContact CE2-CB 4.12Å; F225-Q281 HydrophobicContact CG-CB 3.59Å; L227-Q281 HydrophobicContact CD1-CB 4.01Å; L227-Q281 HydrophobicContact CD1-CG 4.28Å; P273-Q281 WeakPolarHBondContact O-CG 3.26Å; P273-Q281 PolarHBondContact O-NE2 3.34Å; L276-Q281 HydrophobicContact CB-CG 3.56Å; L276-Q281 HydrophobicContact CD1-CG 4.21Å; L276-Q281 HydrophobicContact CG-CG 4.43Å; L276-Q281 PolarHBondContact O-NE2 3.3Å; S277-Q281 WeakPolarHBondContact O-CG 3.38Å; S277-Q281 PolarHBondContact O-N 3.16Å; G278-Q281 PolarHBondContact O-N 3.08Å; G278-Q281 VanDerWaalsContact O-N 3.17Å; Q281-V284 WeakPolarHBondContact O-CB 3.41Å; Q281-V284 PolarHBondContact O-N 2.71Å; Q281-A285 PolarHBondContact O-N 2.99Å
282Q92.3Very high92.5Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-70.3-41.3178.7-165.170.5-53.900112.4F222 F225 G278 G279 Q280 V284 A285 I286 P302 V314F222-Q282 PolarHBondContact O-NE2 3.15Å; F225-Q282 HydrophobicContact CD1-CB 3.82Å; F225-Q282 HydrophobicContact CD1-CG 4.41Å; F225-Q282 HydrophobicContact CE1-CB 4.1Å; G278-Q282 PolarHBondContact O-N 3.46Å; G279-Q282 PolarHBondContact O-N 3.42Å; Q280-Q282 VanDerWaalsContact C-N 3.33Å; Q280-Q282 PolarHBondContact O-N 3.34Å; Q282-V284 VanDerWaalsContact C-N 3.26Å; Q282-V284 PolarHBondContact O-N 3.43Å; Q282-A285 WeakPolarHBondContact O-CA 3.36Å; Q282-A285 WeakPolarHBondContact O-CB 3.46Å; Q282-A285 PolarHBondContact O-N 2.83Å; Q282-I286 WeakPolarHBondContact O-CG1 3.48Å; Q282-I286 PolarHBondContact O-N 3.35Å; Q282-P302 WeakPolarHBondContact CG-O 3.32Å; Q282-P302 PolarHBondContact NE2-O 3.49Å; Q282-V314 HydrophobicContact CB-CG2 4.06Å; Q282-V314 HydrophobicContact CG-CG1 4.03Å; Q282-V314 HydrophobicContact CG-CG2 4.35Å
283R93.4Very high92.3Very high22 Ų2223.5 Ų23.58%0.08314%0.138CC..Hα-helixtrans-57-38.3170.4-78.5-169.4-74159.7-15.2112.4V263 L265 G279 Q280 I286 A287 E313 V314 V317V263-R283 HydrophobicContact CB-CB 4.13Å; V263-R283 HydrophobicContact CG2-CB 4.24Å; V263-R283 PolarHBondContact O-NH1 3.45Å; L265-R283 HydrophobicContact CD1-CB 3.78Å; G279-R283 WeakPolarHBondContact O-CB 3.34Å; G279-R283 WeakPolarHBondContact O-CG 3.33Å; G279-R283 PolarHBondContact O-N 3.39Å; Q280-R283 PolarHBondContact O-N 2.93Å; R283-I286 PolarHBondContact O-N 2.98Å; R283-A287 PolarHBondContact O-N 2.86Å; R283-E313 IonicContact CZ-OE1 2.79Å; R283-E313 IonicContact CZ-OE2 3.71Å; R283-E313 IonicContact NE-OE2 3.5Å; R283-E313 IonicContact NH2-OE1 3.8Å; R283-E313 PolarHBondContact NH2-OE1 3.07Å; R283-E313 IonicContact NH2-OE2 2.66Å; R283-E313 PolarHBondContact NH2-OE2 3.37Å; R283-V314 HydrophobicContact CG-CG2 4.21Å; R283-V317 HydrophobicContact CG-CG2 4.17Å
284V95.5Very high92.4Very high0 Ų023.9 Ų23.90%014%0.14CC..Hα-helixtrans-64.9-39.4170.41710000112.3L227 I233 L237 L260 L265 L276 Q280 Q281 Q282 I286 A287 R288L227-V284 HydrophobicContact CD1-CB 4.02Å; L227-V284 HydrophobicContact CD1-CG1 3.75Å; L227-V284 HydrophobicContact CD2-CB 4.45Å; L227-V284 HydrophobicContact CD2-CG1 3.75Å; L227-V284 HydrophobicContact CG-CG1 4.43Å; I233-V284 HydrophobicContact CD1-CG1 4.3Å; I233-V284 HydrophobicContact CD1-CG2 4.43Å; I233-V284 HydrophobicContact CG2-CB 4.4Å; I233-V284 HydrophobicContact CG2-CG1 3.76Å; I233-V284 HydrophobicContact CG2-CG2 3.63Å; L237-V284 HydrophobicContact CD1-CG1 3.74Å; L260-V284 HydrophobicContact CD2-CG2 4.15Å; L265-V284 HydrophobicContact CD1-CG2 3.69Å; L276-V284 HydrophobicContact CD1-CG2 3.88Å; Q280-V284 WeakPolarHBondContact O-CG2 3.45Å; Q280-V284 PolarHBondContact O-N 3.3Å; Q281-V284 WeakPolarHBondContact O-CB 3.41Å; Q281-V284 PolarHBondContact O-N 2.71Å; Q282-V284 VanDerWaalsContact C-N 3.26Å; Q282-V284 PolarHBondContact O-N 3.43Å; V284-I286 VanDerWaalsContact C-N 3.33Å; V284-I286 PolarHBondContact O-N 3.05Å; V284-A287 PolarHBondContact O-N 2.97Å; V284-R288 WeakPolarHBondContact O-CB 3.43Å; V284-R288 PolarHBondContact O-N 2.9Å
285A94.8Very high92.5Very high1 Ų121.7 Ų21.71%0.00812%0.115CC..Hα-helixtrans-63.1-39.5177.900000111.9V221 L227 Q281 Q282 R288 A289V221-A285 HydrophobicContact CG1-CB 4.41Å; L227-A285 HydrophobicContact CD2-CB 4.13Å; Q281-A285 PolarHBondContact O-N 2.99Å; Q282-A285 WeakPolarHBondContact O-CA 3.36Å; Q282-A285 WeakPolarHBondContact O-CB 3.46Å; Q282-A285 PolarHBondContact O-N 2.83Å; A285-R288 WeakPolarHBondContact O-CB 3.22Å; A285-R288 PolarHBondContact O-N 2.88Å; A285-A289 PolarHBondContact O-N 2.87Å; A285-A289 VanDerWaalsContact O-N 3.13Å
286I94.3Very high92.6Very high0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-60.4-53.2170.9-59.5174.1000110.2V221 Q282 R283 V284 R288 A289 L290 M297 F299 V314 V317 M318 L321V221-I286 HydrophobicContact CG1-CG1 4.24Å; V221-I286 HydrophobicContact CG2-CG1 4.08Å; Q282-I286 WeakPolarHBondContact O-CG1 3.48Å; Q282-I286 PolarHBondContact O-N 3.35Å; R283-I286 PolarHBondContact O-N 2.98Å; V284-I286 VanDerWaalsContact C-N 3.33Å; V284-I286 PolarHBondContact O-N 3.05Å; I286-R288 PolarHBondContact O-N 2.83Å; I286-A289 PolarHBondContact O-N 3.13Å; I286-L290 HydrophobicContact CG2-CD1 3.94Å; I286-L290 HydrophobicContact CG2-CG 4.35Å; I286-L290 WeakPolarHBondContact O-CG 3.49Å; I286-L290 PolarHBondContact O-N 3.44Å; I286-M297 HydrophobicContact CG2-CE 4.27Å; I286-F299 HydrophobicContact CD1-CE1 4.12Å; I286-F299 HydrophobicContact CG1-CE1 3.99Å; I286-V314 HydrophobicContact CD1-CG1 4.21Å; I286-V317 HydrophobicContact CD1-CB 4.47Å; I286-V317 HydrophobicContact CD1-CG1 4.11Å; I286-V317 HydrophobicContact CG2-CG1 4.02Å; I286-M318 HydrophobicContact CD1-CG 4.05Å; I286-L321 HydrophobicContact CG2-CD1 3.73Å
287A95.2Very high92.9Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-58.7-34.4179.100000113L237 L259 V263 R283 V284 C291L237-A287 HydrophobicContact CD2-CB 3.96Å; L237-A287 HydrophobicContact CG-CB 4.48Å; L259-A287 HydrophobicContact CB-CB 4.24Å; V263-A287 HydrophobicContact CG1-CB 4.18Å; V263-A287 HydrophobicContact CG2-CB 4.15Å; R283-A287 PolarHBondContact O-N 2.86Å; V284-A287 PolarHBondContact O-N 2.97Å; A287-C291 PolarHBondContact O-N 2.81Å; A287-C291 PolarHBondContact O-SG 3.35Å
288R95.6Very high93.3Very high7 Ų714.1 Ų14.13%0.0268%0.075CC..Hα-helixtrans-65.3-40.9174.2-178.2-178.866.6168.3-9.2112.6L65 F225 E226 L237 V284 A285 I286 C291L65-R288 HydrophobicContact CD1-CG 4.16Å; L65-R288 HydrophobicContact CD2-CG 4.21Å; F225-R288 PolarHBondContact O-NH2 2.82Å; E226-R288 VanDerWaalsContact O-CZ 3.31Å; E226-R288 PolarHBondContact O-NH1 3.01Å; E226-R288 PolarHBondContact O-NH2 3.4Å; L237-R288 HydrophobicContact CD1-CB 3.94Å; L237-R288 HydrophobicContact CG-CB 4.34Å; V284-R288 WeakPolarHBondContact O-CB 3.43Å; V284-R288 PolarHBondContact O-N 2.9Å; A285-R288 WeakPolarHBondContact O-CB 3.22Å; A285-R288 PolarHBondContact O-N 2.88Å; I286-R288 PolarHBondContact O-N 2.83Å; R288-C291 WeakPolarHBondContact O-CB 3.41Å
289A94.2Very high93.7Very high3 Ų313.2 Ų13.23%0.0257%0.067CC..Hα-helixtrans-67.6-45.8174.700000111.2V221 A285 I286 C291 M292 M297V221-A289 HydrophobicContact CG2-CB 4.3Å; A285-A289 PolarHBondContact O-N 2.87Å; A285-A289 VanDerWaalsContact O-N 3.13Å; I286-A289 PolarHBondContact O-N 3.13Å; A289-C291 VanDerWaalsContact C-N 3.26Å; A289-C291 PolarHBondContact O-N 3.17Å; A289-M292 WeakPolarHBondContact O-CB 3.42Å; A289-M292 PolarHBondContact O-N 2.94Å; A289-M292 VanDerWaalsContact O-N 3.1Å; A289-M297 HydrophobicContact CB-CE 3.88Å; A289-M297 HydrophobicContact CB-SD 3.86Å
290L94.3Very high94Very high13 Ų1313.2 Ų13.27%0.0687%0.067CC..Hα-helixtrans-62-28.8177.8-65.3172.9000113.7L259 I286 M292 D293 P294 M297 L321 M326L259-L290 HydrophobicContact CD1-CB 3.96Å; L259-L290 HydrophobicContact CD2-CB 3.96Å; L259-L290 HydrophobicContact CD2-CD1 4.06Å; I286-L290 HydrophobicContact CG2-CD1 3.94Å; I286-L290 HydrophobicContact CG2-CG 4.35Å; I286-L290 WeakPolarHBondContact O-CG 3.49Å; I286-L290 PolarHBondContact O-N 3.44Å; L290-M292 PolarHBondContact O-N 2.98Å; L290-D293 PolarHBondContact O-N 2.94Å; L290-D293 VanDerWaalsContact O-N 3.08Å; L290-P294 HydrophobicContact CD2-CG 4.44Å; L290-M297 HydrophobicContact CD2-CE 4.11Å; L290-M297 HydrophobicContact CD2-CG 4.37Å; L290-M297 HydrophobicContact CD2-SD 3.99Å; L290-M297 HydrophobicContact CG-CE 4.3Å; L290-L321 HydrophobicContact CD1-CD1 4.1Å; L290-L321 HydrophobicContact CD1-CD2 3.8Å; L290-L321 HydrophobicContact CD2-CD1 4.3Å; L290-L321 HydrophobicContact CD2-CD2 3.72Å; L290-L321 HydrophobicContact CG-CD2 4.4Å; L290-M326 HydrophobicContact CD2-CE 4.25Å
291C93.9Very high93.9Very high0 Ų012.3 Ų12.30%06%0.062CC..THydrogen-bonded Turntrans-55.7-24174.4-81.30000113.4Q241 R247 K255 L259 A287 R288 A289 D293Q241-C291 HydrophobicContact CG-CB 4.02Å; Q241-C291 WeakPolarHBondContact CG-O 3.4Å; R247-C291 PolarHBondContact NH1-O 3.16Å; K255-C291 WeakPolarHBondContact CE-O 3.27Å; L259-C291 HydrophobicContact CD1-CB 4.27Å; L259-C291 VanDerWaalsContact CD1-SG 3.51Å; A287-C291 PolarHBondContact O-N 2.81Å; A287-C291 PolarHBondContact O-SG 3.35Å; R288-C291 WeakPolarHBondContact O-CB 3.41Å; A289-C291 VanDerWaalsContact C-N 3.26Å; A289-C291 PolarHBondContact O-N 3.17Å; C291-D293 VanDerWaalsContact C-N 3.34Å
292M93.4Very high93.8Very high10 Ų1010.6 Ų10.65%0.0495%0.054CC..THydrogen-bonded Turntrans-83-5.6-178.6-61.7-60.6-68.200114.4L65 A240 V244 L245 A289 L290L65-M292 HydrophobicContact CD2-CG 3.73Å; L65-M292 HydrophobicContact CD2-SD 4.38Å; L65-M292 VanDerWaalsContact O-CE 3.23Å; L65-M292 WeakPolarHBondContact O-CE 3.49Å; A240-M292 HydrophobicContact CB-CE 4.15Å; A240-M292 HydrophobicContact CB-SD 3.46Å; A240-M292 WeakPolarHBondContact CB-SD 3.15Å; V244-M292 HydrophobicContact CB-CE 4.31Å; V244-M292 HydrophobicContact CG1-CE 4.25Å; L245-M292 HydrophobicContact CD1-CE 3.83Å; L245-M292 HydrophobicContact CD1-SD 3.94Å; L245-M292 HydrophobicContact CD2-CE 3.9Å; L245-M292 HydrophobicContact CG-CE 3.61Å; L245-M292 HydrophobicContact CG-SD 4.21Å; A289-M292 WeakPolarHBondContact O-CB 3.42Å; A289-M292 PolarHBondContact O-N 2.94Å; A289-M292 VanDerWaalsContact O-N 3.1Å; L290-M292 PolarHBondContact O-N 2.98Å
293D91.4Very high93.6Very high83 Ų8310.9 Ų10.944%0.4446%0.056SC..  trans54.960.9-169.1-67.1-67.6000113R247 K255 L290 C291R247-D293 IonicContact CZ-OD2 3.33Å; R247-D293 IonicContact NH1-OD2 3.25Å; R247-D293 PolarHBondContact NH1-OD2 3.49Å; R247-D293 IonicContact NH2-OD2 2.65Å; R247-D293 PolarHBondContact NH2-OD2 2.75Å; K255-D293 VanDerWaalsContact CE-OD2 3.3Å; K255-D293 WeakPolarHBondContact CE-OD2 3.4Å; K255-D293 IonicContact NZ-OD1 3.29Å; K255-D293 PolarHBondContact NZ-OD1 2.86Å; K255-D293 IonicContact NZ-OD2 3.6Å; K255-D293 PolarHBondContact NZ-OD2 3.31Å; L290-D293 PolarHBondContact O-N 2.94Å; L290-D293 VanDerWaalsContact O-N 3.08Å; C291-D293 VanDerWaalsContact C-N 3.34Å
294P93.2Very high93.1Very high13 Ų1311.4 Ų11.48%0.0846%0.063CC..  trans-70.1145.1-177.530.4-34.5000112.4R217 L290 M297R217-P294 CarbonylContact O-C 3.57Å; R217-P294 WeakPolarHBondContact O-CA 3.37Å; L290-P294 HydrophobicContact CD2-CG 4.44Å; P294-M297 HydrophobicContact CB-SD 4.29Å; P294-M297 HydrophobicContact CG-CG 4.01Å; P294-M297 HydrophobicContact CG-SD 3.58Å; P294-M297 VanDerWaalsContact CG-SD 3.58Å
295I92Very high92.2Very high44 Ų4416.1 Ų16.123%0.22610%0.102CC..SBendtrans-83.7-20.8172.259.6176.3000112.8M140 D200 R217 T327M140-I295 HydrophobicContact CE-CB 4.26Å; M140-I295 HydrophobicContact SD-CB 4.25Å; M140-I295 HydrophobicContact SD-CD1 3.74Å; M140-I295 HydrophobicContact SD-CG1 4.06Å; D200-I295 HydrophobicContact CB-CD1 3.48Å; D200-I295 VanDerWaalsContact CB-CD1 3.48Å; R217-I295 HydrophobicContact CB-CD1 4.43Å; R217-I295 HydrophobicContact CB-CG1 4.36Å; R217-I295 WeakPolarHBondContact O-CG1 3.35Å; R217-I295 PolarHBondContact O-N 3.47Å; I295-T327 PolarHBondContact O-OG1 2.75Å
296A93.5Very high91.5Very high0 Ų017 Ų170%011%0.106CC..EExtended strand (participates in β ladder)trans-149.2145.317300000109.7M140 I141 G219 T327M140-A296 HydrophobicContact CG-CB 4.26Å; I141-A296 HydrophobicContact CD1-CB 4.28Å; G219-A296 PolarHBondContact N-O 2.94Å; A296-T327 CarbonylContact C-O 3.6Å; A296-T327 VanDerWaalsContact CA-O 3.28Å; A296-T327 WeakPolarHBondContact CA-O 3.37Å; A296-T327 HydrophobicContact CB-CG2 4.22Å
297M95.6Very high90.6Very high0 Ų021.8 Ų21.80%013%0.132CC..EExtended strand (participates in β ladder)trans-111.6132177.9-74.4-78.7-69.600110.3V221 I286 A289 L290 P294 F299 M326 T327 M328 M329V221-M297 HydrophobicContact CG2-CE 3.99Å; I286-M297 HydrophobicContact CG2-CE 4.27Å; A289-M297 HydrophobicContact CB-CE 3.88Å; A289-M297 HydrophobicContact CB-SD 3.86Å; L290-M297 HydrophobicContact CD2-CE 4.11Å; L290-M297 HydrophobicContact CD2-CG 4.37Å; L290-M297 HydrophobicContact CD2-SD 3.99Å; L290-M297 HydrophobicContact CG-CE 4.3Å; P294-M297 HydrophobicContact CB-SD 4.29Å; P294-M297 HydrophobicContact CG-CG 4.01Å; P294-M297 HydrophobicContact CG-SD 3.58Å; P294-M297 VanDerWaalsContact CG-SD 3.58Å; M297-F299 HydrophobicContact CB-CD2 4.27Å; M297-F299 HydrophobicContact CB-CE2 3.56Å; M297-F299 HydrophobicContact CB-CZ 4.3Å; M297-F299 HydrophobicContact CE-CE1 4.28Å; M297-F299 HydrophobicContact CE-CE2 3.99Å; M297-F299 HydrophobicContact CE-CZ 3.59Å; M297-F299 HydrophobicContact CG-CE2 4.49Å; M297-M326 HydrophobicContact CB-CG 4.15Å; M297-M326 HydrophobicContact CG-CE 4.48Å; M297-M326 HydrophobicContact CG-CG 3.82Å; M297-M326 HydrophobicContact CG-SD 3.86Å; M297-T327 PolarHBondContact N-O 2.76Å; M297-M328 HydrophobicContact CB-CG 4.26Å; M297-M328 VanDerWaalsContact O-CA 3.32Å; M297-M328 WeakPolarHBondContact O-CA 3.21Å; M297-M329 PolarHBondContact O-N 2.66Å
298L96.2Very high89.6Confident0 Ų026.6 Ų26.60%016%0.163CC..EExtended strand (participates in β ladder)trans-113.4125.5180-58.8-178.2000108.8I141 I183 V186 N187 V218 G219 M220 V221 M329I141-L298 HydrophobicContact CD1-CD2 4.34Å; I183-L298 HydrophobicContact CD1-CB 3.71Å; I183-L298 HydrophobicContact CD1-CD2 4.25Å; I183-L298 HydrophobicContact CD1-CG 4.48Å; I183-L298 HydrophobicContact CG1-CB 3.81Å; I183-L298 HydrophobicContact CG1-CD1 4.23Å; I183-L298 HydrophobicContact CG1-CD2 4Å; I183-L298 HydrophobicContact CG1-CG 4.22Å; V186-L298 HydrophobicContact CB-CD1 4.16Å; V186-L298 HydrophobicContact CG1-CD1 4.03Å; V186-L298 HydrophobicContact CG1-CD2 4.2Å; N187-L298 HydrophobicContact CB-CD1 3.89Å; V218-L298 HydrophobicContact CG1-CD1 3.56Å; V218-L298 HydrophobicContact CG1-CG 3.82Å; G219-L298 WeakPolarHBondContact O-CB 3.33Å; G219-L298 PolarHBondContact O-N 3.44Å; M220-L298 CarbonylContact C-O 3.57Å; M220-L298 WeakPolarHBondContact CA-O 3.46Å; M220-L298 HydrophobicContact SD-CB 3.59Å; M220-L298 VanDerWaalsContact SD-CB 3.59Å; M220-L298 HydrophobicContact SD-CD1 4.19Å; V221-L298 PolarHBondContact N-O 3.18Å; L298-M329 WeakPolarHBondContact CA-O 3.46Å; L298-M329 HydrophobicContact CD2-CB 3.67Å; L298-M329 HydrophobicContact CD2-SD 4.48Å
299F95.4Very high88.5Confident0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-121.3127.1180-63.8-104.9000110.1I183 V221 I286 M297 P302 M318 L321 M328 M329 V330 V331I183-F299 VanDerWaalsContact CD1-O 3.26Å; I183-F299 WeakPolarHBondContact CD1-O 3.1Å; V221-F299 HydrophobicContact CB-CD1 3.75Å; V221-F299 HydrophobicContact CB-CE1 4.21Å; V221-F299 HydrophobicContact CB-CG 4.32Å; V221-F299 HydrophobicContact CG1-CD1 4.12Å; V221-F299 HydrophobicContact CG2-CD1 3.92Å; V221-F299 HydrophobicContact CG2-CE1 3.86Å; V221-F299 HydrophobicContact CG2-CZ 4.49Å; I286-F299 HydrophobicContact CD1-CE1 4.12Å; I286-F299 HydrophobicContact CG1-CE1 3.99Å; M297-F299 HydrophobicContact CB-CD2 4.27Å; M297-F299 HydrophobicContact CB-CE2 3.56Å; M297-F299 HydrophobicContact CB-CZ 4.3Å; M297-F299 HydrophobicContact CE-CE1 4.28Å; M297-F299 HydrophobicContact CE-CE2 3.99Å; M297-F299 HydrophobicContact CE-CZ 3.59Å; M297-F299 HydrophobicContact CG-CE2 4.49Å; F299-P302 HydrophobicContact CB-CG 4.06Å; F299-P302 HydrophobicContact CD1-CB 4.18Å; F299-P302 HydrophobicContact CD1-CG 4.2Å; F299-M318 HydrophobicContact CB-CE 4.45Å; F299-M318 HydrophobicContact CD1-CE 3.88Å; F299-M318 HydrophobicContact CD1-CG 4.23Å; F299-M318 HydrophobicContact CD1-SD 3.86Å; F299-M318 HydrophobicContact CE1-CE 4.19Å; F299-M318 HydrophobicContact CE1-CG 3.65Å; F299-M318 HydrophobicContact CE1-SD 3.91Å; F299-M318 HydrophobicContact CG-CE 4.1Å; F299-M318 HydrophobicContact CZ-CG 4.11Å; F299-L321 HydrophobicContact CZ-CD1 4.3Å; F299-M328 HydrophobicContact CD2-CE 4.16Å; F299-M328 HydrophobicContact CE2-CE 3.44Å; F299-M328 VanDerWaalsContact CE2-CE 3.44Å; F299-M328 HydrophobicContact CE2-CG 4.3Å; F299-M328 HydrophobicContact CZ-CE 3.86Å; F299-M329 PolarHBondContact N-O 3.22Å; F299-V330 HydrophobicContact CB-CB 4.37Å; F299-V330 HydrophobicContact CB-CG1 4.07Å; F299-V330 HydrophobicContact CB-CG2 4.21Å; F299-V330 HydrophobicContact CD2-CG2 3.86Å; F299-V330 HydrophobicContact CG-CG2 4.31Å; F299-V331 PolarHBondContact O-N 3.44Å
300D94.2Very high87.9Confident0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-113.896.1-178.3-175.331.3000109.6S180 I183 K184 M220 V221 F222 Q223S180-D300 VanDerWaalsContact CA-OD1 3.27Å; S180-D300 WeakPolarHBondContact CA-OD1 3.41Å; S180-D300 WeakPolarHBondContact CB-OD1 3.47Å; S180-D300 PolarHBondContact OG-OD1 3.04Å; I183-D300 HydrophobicContact CG2-CB 4.19Å; K184-D300 WeakPolarHBondContact CE-OD2 3.47Å; K184-D300 IonicContact NZ-OD2 2.79Å; K184-D300 PolarHBondContact NZ-OD2 3.41Å; M220-D300 HydrophobicContact CE-CB 3.66Å; V221-D300 PolarHBondContact O-N 3.1Å; F222-D300 CarbonylContact C-O 3.54Å; Q223-D300 WeakPolarHBondContact CA-O 3.47Å; Q223-D300 WeakPolarHBondContact CB-O 3.49Å; Q223-D300 PolarHBondContact N-O 2.88Å
301E91Very high87.5Confident26 Ų2636.9 Ų36.912%0.12121%0.212CC..SBendtrans45.256.5-177.4-63.8-172.1-176.500114.3K179 Q223 T303 S304 V331 H333K179-E301 VanDerWaalsContact CE-OE1 3.28Å; K179-E301 WeakPolarHBondContact CE-OE1 3.43Å; K179-E301 IonicContact NZ-OE1 3.19Å; K179-E301 PolarHBondContact NZ-OE1 3.28Å; Q223-E301 HydrophobicContact CG-CB 3.98Å; Q223-E301 PolarHBondContact NE2-OE2 3.14Å; E301-T303 VanDerWaalsContact C-N 3.28Å; E301-T303 PolarHBondContact O-N 2.92Å; E301-S304 PolarHBondContact O-N 2.82Å; E301-S304 PolarHBondContact O-OG 2.74Å; E301-V331 VanDerWaalsContact CA-O 3.25Å; E301-V331 WeakPolarHBondContact CA-O 3.46Å; E301-V331 HydrophobicContact CG-CB 4.34Å; E301-V331 HydrophobicContact CG-CG1 3.67Å; E301-V331 PolarHBondContact N-O 3.09Å; E301-H333 VanDerWaalsContact CD-NE2 3.29Å; E301-H333 IonicContact OE1-CD2 2.79Å; E301-H333 IonicContact OE1-NE2 2.59Å; E301-H333 PolarHBondContact OE1-NE2 3.19Å; E301-H333 IonicContact OE2-NE2 3.9Å
302P90.1Very high87Confident0 Ų041.6 Ų41.60%024%0.237CC..THydrogen-bonded Turntrans-69.4-18.5-165.329.6-37.1000114.8V221 Q282 F299 M318 V331V221-P302 HydrophobicContact CG1-CB 4.43Å; Q282-P302 WeakPolarHBondContact CG-O 3.32Å; Q282-P302 PolarHBondContact NE2-O 3.49Å; F299-P302 HydrophobicContact CB-CG 4.06Å; F299-P302 HydrophobicContact CD1-CB 4.18Å; F299-P302 HydrophobicContact CD1-CG 4.2Å; P302-M318 HydrophobicContact CB-SD 4.1Å; P302-M318 HydrophobicContact CG-CE 3.75Å; P302-M318 HydrophobicContact CG-SD 3.59Å; P302-M318 VanDerWaalsContact CG-SD 3.59Å; P302-V331 WeakPolarHBondContact CD-O 3.11Å
303T88.1Confident86.6Confident7 Ų744.7 Ų44.74%0.04325%0.252CS..THydrogen-bonded Turntrans-95.1-5.6179.255.10000113.7E301 L306 I311 V314 L315 E334E301-T303 VanDerWaalsContact C-N 3.28Å; E301-T303 PolarHBondContact O-N 2.92Å; T303-L306 WeakPolarHBondContact O-CB 3.18Å; T303-L306 PolarHBondContact O-N 2.92Å; T303-I311 HydrophobicContact CG2-CG2 3.93Å; T303-V314 HydrophobicContact CG2-CG1 4.44Å; T303-L315 HydrophobicContact CG2-CD2 3.59Å; T303-L315 HydrophobicContact CG2-CG 3.91Å; T303-E334 HydrophobicContact CG2-CG 3.99Å; T303-E334 WeakPolarHBondContact OG1-CG 3.36Å; T303-E334 PolarHBondContact OG1-OE1 2.98Å
304S82.9Confident86.6Confident33 Ų3340.8 Ų40.823%0.23123%0.23CC..THydrogen-bonded Turntrans-66.1144.5-176.7690000112.4Q223 E301 L306Q223-S304 WeakPolarHBondContact CG-OG 3.45Å; Q223-S304 PolarHBondContact NE2-OG 2.95Å; E301-S304 PolarHBondContact O-N 2.82Å; E301-S304 PolarHBondContact O-OG 2.74Å; S304-L306 VanDerWaalsContact C-N 3.3Å; S304-L306 PolarHBondContact O-N 3.43Å
305A77.2Confident86.4Confident99 Ų9941 Ų4182%0.81823%0.231SC*.THydrogen-bonded Turntrans58.533.3-175.200000115
306L79.9Confident86.3Confident19 Ų1943.2 Ų43.210%0.09924%0.243CC..  trans-116148.7169.4-58.8-175.1000110.8F225 T303 S304 M310 I311 V314F225-L306 HydrophobicContact CE1-CD2 3.95Å; F225-L306 HydrophobicContact CZ-CD2 4.01Å; T303-L306 WeakPolarHBondContact O-CB 3.18Å; T303-L306 PolarHBondContact O-N 2.92Å; S304-L306 VanDerWaalsContact C-N 3.3Å; S304-L306 PolarHBondContact O-N 3.43Å; L306-M310 HydrophobicContact CB-CB 4.28Å; L306-I311 HydrophobicContact CB-CG1 3.82Å; L306-V314 HydrophobicContact CD1-CB 4.47Å; L306-V314 HydrophobicContact CD1-CG2 3.78Å
307D75.6Confident86.1Confident100 Ų10043.8 Ų43.854%0.53525%0.246SC..  trans-70.9152.1171.7-53.4-69.7000111.6E309 M310 I311D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.27Å; D307-E309 VanDerWaalsContact O-N 3.13Å; D307-M310 WeakPolarHBondContact O-CA 3.48Å; D307-M310 WeakPolarHBondContact O-CB 3.35Å; D307-M310 PolarHBondContact O-N 3.27Å; D307-M310 WeakPolarHBondContact OD2-CE 3.31Å; D307-I311 PolarHBondContact O-N 3.41Å
308P73.3Confident86Confident101 Ų10143.8 Ų43.866%0.65625%0.246SC*.Hα-helixtrans-52.8-38-173.5-29.636.1000115.8I311 N312P308-I311 PolarHBondContact O-N 3.22Å; P308-N312 PolarHBondContact O-N 2.99Å; P308-N312 PolarHBondContact O-ND2 2.89Å
309E72.5Confident85.8Confident167 Ų16744.2 Ų44.278%0.7825%0.249SC*.Hα-helixtrans-62.7-42.4174.5-62.2-174.9162.200111.9D307 N312D307-E309 VanDerWaalsContact C-N 3.3Å; D307-E309 PolarHBondContact O-N 3.27Å; D307-E309 VanDerWaalsContact O-N 3.13Å; E309-N312 PolarHBondContact O-N 2.82Å
310M82.9Confident85.5Confident45 Ų4547.8 Ų47.822%0.22227%0.266CS..Hα-helixtrans-74.1-26.1-179.5-60.1-165.6-149.300112.9L306 D307 V314L306-M310 HydrophobicContact CB-CB 4.28Å; D307-M310 WeakPolarHBondContact O-CA 3.48Å; D307-M310 WeakPolarHBondContact O-CB 3.35Å; D307-M310 PolarHBondContact O-N 3.27Å; D307-M310 WeakPolarHBondContact OD2-CE 3.31Å; M310-V314 PolarHBondContact O-N 3.03Å
311I85Confident85.4Confident28 Ų2847.8 Ų47.814%0.14427%0.266CS..Hα-helixtrans-59.5-49.7173-70.2177.8000109.7T303 L306 D307 P308 E313 V314 L315T303-I311 HydrophobicContact CG2-CG2 3.93Å; L306-I311 HydrophobicContact CB-CG1 3.82Å; D307-I311 PolarHBondContact O-N 3.41Å; P308-I311 PolarHBondContact O-N 3.22Å; I311-E313 PolarHBondContact O-N 3.33Å; I311-V314 PolarHBondContact O-N 3.16Å; I311-V314 VanDerWaalsContact O-N 3.12Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.09Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.92Å
312N84.6Confident85.4Confident98 Ų9847.1 Ų47.152%0.52427%0.265SS..Hα-helixtrans-59.7-43.4-179.2-72.5-46.2000112.4P308 E309 V314 L315 D316P308-N312 PolarHBondContact O-N 2.99Å; P308-N312 PolarHBondContact O-ND2 2.89Å; E309-N312 PolarHBondContact O-N 2.82Å; N312-V314 VanDerWaalsContact C-N 3.26Å; N312-V314 PolarHBondContact O-N 2.91Å; N312-L315 PolarHBondContact O-N 3.17Å; N312-D316 PolarHBondContact O-N 2.97Å
313E85Confident85.2Confident76 Ų7653 Ų5336%0.35530%0.296SS..Hα-helixtrans-58.1-35.2176.3-60.9-169.3123.500113.6R283 I311R283-E313 IonicContact CZ-OE1 2.79Å; R283-E313 IonicContact CZ-OE2 3.71Å; R283-E313 IonicContact NE-OE2 3.5Å; R283-E313 IonicContact NH2-OE1 3.8Å; R283-E313 PolarHBondContact NH2-OE1 3.07Å; R283-E313 IonicContact NH2-OE2 2.66Å; R283-E313 PolarHBondContact NH2-OE2 3.37Å; I311-E313 PolarHBondContact O-N 3.33Å
314V89.7Confident85.2Confident0 Ų058.4 Ų58.40%032%0.321CS..Hα-helixtrans-78.2-41.4178.3174.40000110.6Q282 R283 I286 T303 L306 M310 I311 N312 V317 M318Q282-V314 HydrophobicContact CB-CG2 4.06Å; Q282-V314 HydrophobicContact CG-CG1 4.03Å; Q282-V314 HydrophobicContact CG-CG2 4.35Å; R283-V314 HydrophobicContact CG-CG2 4.21Å; I286-V314 HydrophobicContact CD1-CG1 4.21Å; T303-V314 HydrophobicContact CG2-CG1 4.44Å; L306-V314 HydrophobicContact CD1-CB 4.47Å; L306-V314 HydrophobicContact CD1-CG2 3.78Å; M310-V314 PolarHBondContact O-N 3.03Å; I311-V314 PolarHBondContact O-N 3.16Å; I311-V314 VanDerWaalsContact O-N 3.12Å; N312-V314 VanDerWaalsContact C-N 3.26Å; N312-V314 PolarHBondContact O-N 2.91Å; V314-V317 PolarHBondContact O-N 3.13Å; V314-M318 HydrophobicContact CG1-SD 4.2Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.44Å
315L90.6Very high85.4Confident19 Ų1959 Ų5910%0.09933%0.332CS..Hα-helixtrans-63.7-39.8178.3-70.7-175.1000112.3T303 I311 N312 V317 M318 V319 E334 F337T303-L315 HydrophobicContact CG2-CD2 3.59Å; T303-L315 HydrophobicContact CG2-CG 3.91Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.09Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.92Å; N312-L315 PolarHBondContact O-N 3.17Å; L315-V317 PolarHBondContact O-N 3.42Å; L315-M318 HydrophobicContact CD2-SD 4.45Å; L315-M318 CarbonylContact O-C 3.56Å; L315-M318 WeakPolarHBondContact O-CB 3.3Å; L315-M318 PolarHBondContact O-N 2.96Å; L315-M318 VanDerWaalsContact O-N 3.09Å; L315-V319 WeakPolarHBondContact O-CB 3.49Å; L315-V319 VanDerWaalsContact O-CG2 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.84Å; L315-E334 HydrophobicContact CD1-CB 4.3Å; L315-E334 HydrophobicContact CD1-CG 4.24Å; L315-E334 HydrophobicContact CD2-CB 4.45Å; L315-E334 HydrophobicContact CD2-CG 4.32Å; L315-F337 HydrophobicContact CD1-CB 4.37Å; L315-F337 HydrophobicContact CD2-CB 3.79Å; L315-F337 HydrophobicContact CD2-CD2 3.92Å; L315-F337 HydrophobicContact CD2-CG 3.99Å
316D88.6Confident86.1Confident89 Ų8956 Ų5648%0.47630%0.301SS..Hα-helixtrans-62-41.2178.7-80.8-26.9000112.4N312 M318 V319 E320 K340N312-D316 PolarHBondContact O-N 2.97Å; D316-M318 VanDerWaalsContact C-N 3.3Å; D316-M318 PolarHBondContact O-N 3.43Å; D316-V319 PolarHBondContact O-N 3.22Å; D316-E320 WeakPolarHBondContact O-CB 3.25Å; D316-E320 PolarHBondContact O-N 2.87Å; D316-K340 IonicContact OD1-NZ 2.69Å
317V90.2Very high86.7Confident12 Ų1255.3 Ų55.37%0.07330%0.298CS..Hα-helixtrans-62.7-37.8173.4176.40000111.4V263 R283 I286 V314 L315 L321V263-V317 HydrophobicContact CB-CG2 4.37Å; V263-V317 HydrophobicContact CG1-CG1 3.85Å; V263-V317 HydrophobicContact CG1-CG2 4.36Å; R283-V317 HydrophobicContact CG-CG2 4.17Å; I286-V317 HydrophobicContact CD1-CB 4.47Å; I286-V317 HydrophobicContact CD1-CG1 4.11Å; I286-V317 HydrophobicContact CG2-CG1 4.02Å; V314-V317 PolarHBondContact O-N 3.13Å; L315-V317 PolarHBondContact O-N 3.42Å; V317-L321 WeakPolarHBondContact O-CG 2.98Å; V317-L321 PolarHBondContact O-N 3.18Å
318M93.4Very high87.6Confident0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-70.3-37.4176.6-68.3175.552.400112.4I286 F299 P302 V314 L315 D316 L321 A322 M328 V330 F337I286-M318 HydrophobicContact CD1-CG 4.05Å; F299-M318 HydrophobicContact CB-CE 4.45Å; F299-M318 HydrophobicContact CD1-CE 3.88Å; F299-M318 HydrophobicContact CD1-CG 4.23Å; F299-M318 HydrophobicContact CD1-SD 3.86Å; F299-M318 HydrophobicContact CE1-CE 4.19Å; F299-M318 HydrophobicContact CE1-CG 3.65Å; F299-M318 HydrophobicContact CE1-SD 3.91Å; F299-M318 HydrophobicContact CG-CE 4.1Å; F299-M318 HydrophobicContact CZ-CG 4.11Å; P302-M318 HydrophobicContact CB-SD 4.1Å; P302-M318 HydrophobicContact CG-CE 3.75Å; P302-M318 HydrophobicContact CG-SD 3.59Å; P302-M318 VanDerWaalsContact CG-SD 3.59Å; V314-M318 HydrophobicContact CG1-SD 4.2Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.44Å; L315-M318 HydrophobicContact CD2-SD 4.45Å; L315-M318 CarbonylContact O-C 3.56Å; L315-M318 WeakPolarHBondContact O-CB 3.3Å; L315-M318 PolarHBondContact O-N 2.96Å; L315-M318 VanDerWaalsContact O-N 3.09Å; D316-M318 VanDerWaalsContact C-N 3.3Å; D316-M318 PolarHBondContact O-N 3.43Å; M318-L321 PolarHBondContact O-N 3.4Å; M318-A322 PolarHBondContact O-N 3.02Å; M318-M328 HydrophobicContact CB-CE 4.34Å; M318-V330 HydrophobicContact CE-CG1 3.67Å; M318-V330 HydrophobicContact CE-CG2 4.27Å; M318-F337 HydrophobicContact CB-CD2 4.26Å; M318-F337 HydrophobicContact CB-CE2 3.5Å; M318-F337 VanDerWaalsContact CB-CE2 3.5Å; M318-F337 HydrophobicContact CB-CZ 4.1Å; M318-F337 HydrophobicContact CE-CD2 4.41Å; M318-F337 HydrophobicContact CE-CE1 4.02Å; M318-F337 HydrophobicContact CE-CE2 3.9Å; M318-F337 HydrophobicContact CE-CZ 3.69Å
319V91.2Very high88.7Confident10 Ų1045.8 Ų45.86%0.06124%0.242CC..Hα-helixtrans-65.7-41.4175.2166.90000110.8L315 D316 L321 A322 N323 F337 K340 V341L315-V319 WeakPolarHBondContact O-CB 3.49Å; L315-V319 VanDerWaalsContact O-CG2 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.84Å; D316-V319 PolarHBondContact O-N 3.22Å; V319-L321 PolarHBondContact O-N 3.02Å; V319-A322 PolarHBondContact O-N 3.09Å; V319-N323 WeakPolarHBondContact O-CB 3.22Å; V319-N323 VanDerWaalsContact O-CG 3.25Å; V319-N323 PolarHBondContact O-N 3.27Å; V319-N323 PolarHBondContact O-ND2 2.98Å; V319-F337 HydrophobicContact CG2-CD2 3.92Å; V319-F337 HydrophobicContact CG2-CE2 4.09Å; V319-K340 HydrophobicContact CG1-CD 4.23Å; V319-K340 HydrophobicContact CG2-CD 3.9Å; V319-K340 HydrophobicContact CG2-CG 4.46Å; V319-V341 HydrophobicContact CB-CG1 4.24Å; V319-V341 HydrophobicContact CG1-CG1 3.95Å; V319-V341 HydrophobicContact CG2-CG1 4.02Å
320E90.7Very high89.8Confident74 Ų7437.9 Ų37.935%0.34620%0.204SC..Hα-helixtrans-60.2-44.5175.6-161.8-162.112700111.7R262 D316 N323 E324R262-E320 IonicContact CZ-OE1 2.7Å; R262-E320 IonicContact NE-OE1 3.37Å; R262-E320 PolarHBondContact NE-OE1 3.37Å; R262-E320 IonicContact NH2-OE1 2.95Å; R262-E320 PolarHBondContact NH2-OE1 2.71Å; D316-E320 WeakPolarHBondContact O-CB 3.25Å; D316-E320 PolarHBondContact O-N 2.87Å; E320-N323 PolarHBondContact O-N 3.03Å; E320-E324 PolarHBondContact O-N 3.04Å; E320-E324 VanDerWaalsContact O-N 3.1Å
321L91.5Very high90.3Very high1 Ų135.7 Ų35.71%0.00519%0.194CC..Hα-helixtrans-64.2-40.6176-71169.1000113I286 L290 F299 V317 M318 V319 E324 M326 M328I286-L321 HydrophobicContact CG2-CD1 3.73Å; L290-L321 HydrophobicContact CD1-CD1 4.1Å; L290-L321 HydrophobicContact CD1-CD2 3.8Å; L290-L321 HydrophobicContact CD2-CD1 4.3Å; L290-L321 HydrophobicContact CD2-CD2 3.72Å; L290-L321 HydrophobicContact CG-CD2 4.4Å; F299-L321 HydrophobicContact CZ-CD1 4.3Å; V317-L321 WeakPolarHBondContact O-CG 2.98Å; V317-L321 PolarHBondContact O-N 3.18Å; M318-L321 PolarHBondContact O-N 3.4Å; V319-L321 PolarHBondContact O-N 3.02Å; L321-E324 PolarHBondContact O-N 2.87Å; L321-M326 HydrophobicContact CB-CB 4.42Å; L321-M326 WeakPolarHBondContact O-CB 3.04Å; L321-M326 PolarHBondContact O-N 2.64Å; L321-M328 HydrophobicContact CB-SD 4.23Å
322A89.9Confident90.5Very high11 Ų1134.4 Ų34.49%0.09119%0.187CC..Hα-helixtrans-62.7-45.4175.700000111.4V168 M318 V319 E324 G325 M328 V341V168-A322 HydrophobicContact CG2-CB 3.88Å; M318-A322 PolarHBondContact O-N 3.02Å; V319-A322 PolarHBondContact O-N 3.09Å; A322-E324 VanDerWaalsContact C-N 3.27Å; A322-E324 PolarHBondContact O-N 2.91Å; A322-G325 PolarHBondContact O-N 3.37Å; A322-M328 HydrophobicContact CB-SD 3.86Å; A322-V341 HydrophobicContact CB-CB 3.71Å; A322-V341 HydrophobicContact CB-CG1 3.92Å; A322-V341 HydrophobicContact CB-CG2 3.91Å
323N87.4Confident90.5Very high124 Ų12434.1 Ų34.166%0.66318%0.182SC*.Hα-helixtrans-66.2-25.6179-71.3-24.4000113.5V319 E320 G325V319-N323 WeakPolarHBondContact O-CB 3.22Å; V319-N323 VanDerWaalsContact O-CG 3.25Å; V319-N323 PolarHBondContact O-N 3.27Å; V319-N323 PolarHBondContact O-ND2 2.98Å; E320-N323 PolarHBondContact O-N 3.03Å; N323-G325 PolarHBondContact O-N 3.44Å
324E87.6Confident90.5Very high121 Ų12133.1 Ų33.157%0.56518%0.178SC*.THydrogen-bonded Turntrans-74.8-3.8169.5-76.3-175.5162.600114.1R262 E320 L321 A322R262-E324 IonicContact CZ-OE1 3.53Å; R262-E324 IonicContact CZ-OE2 2.78Å; R262-E324 IonicContact NH1-OE1 3.68Å; R262-E324 PolarHBondContact NH1-OE1 3.3Å; R262-E324 IonicContact NH1-OE2 2.6Å; R262-E324 PolarHBondContact NH1-OE2 2.91Å; R262-E324 IonicContact NH2-OE1 3.72Å; R262-E324 PolarHBondContact NH2-OE1 2.85Å; R262-E324 VanDerWaalsContact NH2-OE1 3.13Å; R262-E324 IonicContact NH2-OE2 3.29Å; R262-E324 PolarHBondContact NH2-OE2 3.11Å; E320-E324 PolarHBondContact O-N 3.04Å; E320-E324 VanDerWaalsContact O-N 3.1Å; L321-E324 PolarHBondContact O-N 2.87Å; A322-E324 VanDerWaalsContact C-N 3.27Å; A322-E324 PolarHBondContact O-N 2.91Å
325G86.6Confident90.1Very high44 Ų4436.3 Ų36.345%0.45419%0.194SC..THydrogen-bonded Turntrans79.929.1-178.900000114G166 A322 N323G166-G325 WeakPolarHBondContact CA-O 3.37Å; A322-G325 PolarHBondContact O-N 3.37Å; N323-G325 PolarHBondContact O-N 3.44Å
326M91.5Very high89.5Confident37 Ų3738 Ų3818%0.18222%0.216CC..  trans-65.7133.2170-17758.566.700110.3L290 M297 L321 M328L290-M326 HydrophobicContact CD2-CE 4.25Å; M297-M326 HydrophobicContact CB-CG 4.15Å; M297-M326 HydrophobicContact CG-CE 4.48Å; M297-M326 HydrophobicContact CG-CG 3.82Å; M297-M326 HydrophobicContact CG-SD 3.86Å; L321-M326 HydrophobicContact CB-CB 4.42Å; L321-M326 WeakPolarHBondContact O-CB 3.04Å; L321-M326 PolarHBondContact O-N 2.64Å; M326-M328 HydrophobicContact CB-CG 4.11Å; M326-M328 HydrophobicContact CB-SD 4.18Å; M326-M328 HydrophobicContact CG-CG 3.8Å; M326-M328 HydrophobicContact CG-SD 4.35Å; M326-M328 PolarHBondContact O-N 2.93Å
327T94.1Very high89.3Confident4 Ų433.9 Ų33.93%0.02519%0.193CC..  trans-69.6123.2169.8-40.30000108.9M140 V163 K164 G166 I295 A296 M297M140-T327 HydrophobicContact CB-CG2 4.08Å; M140-T327 HydrophobicContact CG-CG2 3.97Å; V163-T327 HydrophobicContact CG1-CG2 3.74Å; K164-T327 VanDerWaalsContact O-CG2 3.26Å; K164-T327 WeakPolarHBondContact O-CG2 3.01Å; G166-T327 PolarHBondContact N-OG1 2.64Å; I295-T327 PolarHBondContact O-OG1 2.75Å; A296-T327 CarbonylContact C-O 3.6Å; A296-T327 VanDerWaalsContact CA-O 3.28Å; A296-T327 WeakPolarHBondContact CA-O 3.37Å; A296-T327 HydrophobicContact CB-CG2 4.22Å; M297-T327 PolarHBondContact N-O 2.76Å
328M94.4Very high88.9Confident1 Ų133.5 Ų33.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-133.9136.4-172.7-67.2169.17400112E167 V168 V169 M297 F299 M318 L321 A322 M326 V330 F337E167-M328 PolarHBondContact O-N 3.26Å; V168-M328 WeakPolarHBondContact CA-O 3.27Å; V168-M328 HydrophobicContact CB-CB 4.43Å; V168-M328 HydrophobicContact CG1-CB 4.14Å; V168-M328 HydrophobicContact CG2-CB 4.2Å; V168-M328 HydrophobicContact CG2-SD 4.25Å; V169-M328 PolarHBondContact N-O 3.45Å; M297-M328 HydrophobicContact CB-CG 4.26Å; M297-M328 VanDerWaalsContact O-CA 3.32Å; M297-M328 WeakPolarHBondContact O-CA 3.21Å; F299-M328 HydrophobicContact CD2-CE 4.16Å; F299-M328 HydrophobicContact CE2-CE 3.44Å; F299-M328 VanDerWaalsContact CE2-CE 3.44Å; F299-M328 HydrophobicContact CE2-CG 4.3Å; F299-M328 HydrophobicContact CZ-CE 3.86Å; M318-M328 HydrophobicContact CB-CE 4.34Å; L321-M328 HydrophobicContact CB-SD 4.23Å; A322-M328 HydrophobicContact CB-SD 3.86Å; M326-M328 HydrophobicContact CB-CG 4.11Å; M326-M328 HydrophobicContact CB-SD 4.18Å; M326-M328 HydrophobicContact CG-CG 3.8Å; M326-M328 HydrophobicContact CG-SD 4.35Å; M326-M328 PolarHBondContact O-N 2.93Å; M328-V330 HydrophobicContact CB-CG2 4.15Å; M328-V330 HydrophobicContact CE-CG2 4.16Å; M328-F337 HydrophobicContact CE-CZ 4.2Å
329M95.1Very high88.2Confident1 Ų135.6 Ų35.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-119.1120.9163.9-164.6-180-172.100107.4V169 V171 L182 I183 V186 M297 L298 F299V169-M329 CarbonylContact O-C 3.46Å; V169-M329 WeakPolarHBondContact O-CA 3.4Å; V171-M329 HydrophobicContact CG2-CE 3.76Å; V171-M329 HydrophobicContact CG2-CG 4.19Å; L182-M329 HydrophobicContact CD2-CE 3.91Å; L182-M329 HydrophobicContact CG-CE 4.34Å; I183-M329 HydrophobicContact CD1-CB 4.28Å; I183-M329 HydrophobicContact CD1-CG 4.34Å; I183-M329 WeakPolarHBondContact CD1-O 3.3Å; I183-M329 HydrophobicContact CG1-SD 4.25Å; V186-M329 HydrophobicContact CG2-SD 4.28Å; M297-M329 PolarHBondContact O-N 2.66Å; L298-M329 WeakPolarHBondContact CA-O 3.46Å; L298-M329 HydrophobicContact CD2-CB 3.67Å; L298-M329 HydrophobicContact CD2-SD 4.48Å; F299-M329 PolarHBondContact N-O 3.22Å
330V95.2Very high87.7Confident0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-128.3108-168.3-177.70000110.3V169 V170 V171 F299 M318 M328 T332 F337V169-V330 PolarHBondContact O-N 3.16Å; V170-V330 CarbonylContact C-O 3.59Å; V170-V330 VanDerWaalsContact CA-O 3.28Å; V170-V330 WeakPolarHBondContact CA-O 3.34Å; V170-V330 HydrophobicContact CG2-CB 4.27Å; V171-V330 PolarHBondContact N-O 3.1Å; F299-V330 HydrophobicContact CB-CB 4.37Å; F299-V330 HydrophobicContact CB-CG1 4.07Å; F299-V330 HydrophobicContact CB-CG2 4.21Å; F299-V330 HydrophobicContact CD2-CG2 3.86Å; F299-V330 HydrophobicContact CG-CG2 4.31Å; M318-V330 HydrophobicContact CE-CG1 3.67Å; M318-V330 HydrophobicContact CE-CG2 4.27Å; M328-V330 HydrophobicContact CB-CG2 4.15Å; M328-V330 HydrophobicContact CE-CG2 4.16Å; V330-T332 HydrophobicContact CG1-CG2 3.91Å; V330-T332 PolarHBondContact O-N 2.92Å; V330-F337 HydrophobicContact CB-CE1 4.13Å; V330-F337 HydrophobicContact CG1-CD1 4.32Å; V330-F337 HydrophobicContact CG1-CE1 3.8Å; V330-F337 HydrophobicContact CG2-CE1 4Å; V330-F337 HydrophobicContact CG2-CZ 4.26Å
331V94.1Very high87.5Confident0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-76.1119.1163.7-173.10000107.7V171 K179 I183 F299 E301 P302V171-V331 HydrophobicContact CB-CG2 4.24Å; V171-V331 WeakPolarHBondContact O-CA 3.47Å; K179-V331 HydrophobicContact CB-CB 4.5Å; K179-V331 HydrophobicContact CB-CG1 3.53Å; K179-V331 HydrophobicContact CB-CG2 4.11Å; K179-V331 HydrophobicContact CD-CG1 3.89Å; K179-V331 VanDerWaalsContact CE-CG1 3.5Å; K179-V331 HydrophobicContact CG-CG1 4.33Å; I183-V331 HydrophobicContact CB-CG2 4.23Å; I183-V331 HydrophobicContact CD1-CG2 4.21Å; I183-V331 HydrophobicContact CG2-CG2 4.01Å; F299-V331 PolarHBondContact O-N 3.44Å; E301-V331 VanDerWaalsContact CA-O 3.25Å; E301-V331 WeakPolarHBondContact CA-O 3.46Å; E301-V331 HydrophobicContact CG-CB 4.34Å; E301-V331 HydrophobicContact CG-CG1 3.67Å; E301-V331 PolarHBondContact N-O 3.09Å; P302-V331 WeakPolarHBondContact CD-O 3.11Å
332T89.4Confident87.3Confident1 Ų139 Ų391%0.00622%0.215CC..  trans-158.4156.2175.3-169.90000111.9V170 V171 V330 E334 F337V170-T332 HydrophobicContact CG1-CG2 3.97Å; V171-T332 PolarHBondContact O-N 3.23Å; V330-T332 HydrophobicContact CG1-CG2 3.91Å; V330-T332 PolarHBondContact O-N 2.92Å; T332-E334 HydrophobicContact CG2-CB 4.44Å; T332-E334 WeakPolarHBondContact OG1-CB 3.46Å; T332-E334 WeakPolarHBondContact OG1-CG 3.25Å; T332-E334 PolarHBondContact OG1-N 3.12Å; T332-F337 HydrophobicContact CG2-CD1 4.16Å
333H84.8Confident87.2Confident91 Ų9142.3 Ų42.342%0.42123%0.231SC..SBendtrans-99-4.7167.1-64.5-86.7000112.4G173 K179 E301 M335G173-H333 PolarHBondContact O-CE1 3.24Å; K179-H333 PolarHBondContact NZ-CE1 2.87Å; K179-H333 VanDerWaalsContact NZ-CE1 3.25Å; K179-H333 PolarHBondContact NZ-NE2 3.41Å; E301-H333 VanDerWaalsContact CD-NE2 3.29Å; E301-H333 IonicContact OE1-CD2 2.79Å; E301-H333 IonicContact OE1-NE2 2.59Å; E301-H333 PolarHBondContact OE1-NE2 3.19Å; E301-H333 IonicContact OE2-NE2 3.9Å; H333-M335 WeakPolarHBondContact O-CE 3.02Å; H333-M335 PolarHBondContact O-N 2.83Å
334E84.2Confident87.3Confident56 Ų5638.3 Ų38.326%0.26221%0.207SC..  trans-72.584.3177.6-55.6-56.6158.900111.5T303 L315 T332 G336 F337 A338T303-E334 HydrophobicContact CG2-CG 3.99Å; T303-E334 WeakPolarHBondContact OG1-CG 3.36Å; T303-E334 PolarHBondContact OG1-OE1 2.98Å; L315-E334 HydrophobicContact CD1-CB 4.3Å; L315-E334 HydrophobicContact CD1-CG 4.24Å; L315-E334 HydrophobicContact CD2-CB 4.45Å; L315-E334 HydrophobicContact CD2-CG 4.32Å; T332-E334 HydrophobicContact CG2-CB 4.44Å; T332-E334 WeakPolarHBondContact OG1-CB 3.46Å; T332-E334 WeakPolarHBondContact OG1-CG 3.25Å; T332-E334 PolarHBondContact OG1-N 3.12Å; E334-G336 PolarHBondContact O-N 2.86Å; E334-F337 HydrophobicContact CB-CB 4.09Å; E334-F337 WeakPolarHBondContact O-CB 3.39Å; E334-F337 PolarHBondContact O-N 3.35Å; E334-A338 PolarHBondContact O-N 2.89Å; E334-A338 VanDerWaalsContact O-N 3.16Å
335M82.1Confident87.4Confident67 Ų6733 Ų3333%0.3318%0.183SC..Hα-helixtrans-63.1-23.7-179.7-64.2-5710600112.7C172 H333 A338 R339C172-M335 HydrophobicContact CB-CE 4.03Å; H333-M335 WeakPolarHBondContact O-CE 3.02Å; H333-M335 PolarHBondContact O-N 2.83Å; M335-A338 PolarHBondContact O-N 2.82Å; M335-R339 WeakPolarHBondContact O-CB 3.26Å; M335-R339 VanDerWaalsContact O-CG 3.31Å; M335-R339 WeakPolarHBondContact O-CG 3.44Å; M335-R339 PolarHBondContact O-N 3.47Å
336G78Confident87.7Confident54 Ų5431 Ų3156%0.55716%0.161SC*.Hα-helixtrans-62.2-42.8170.800000113E334 K340E334-G336 PolarHBondContact O-N 2.86Å; G336-K340 VanDerWaalsContact O-CB 3.3Å; G336-K340 WeakPolarHBondContact O-CB 3.35Å; G336-K340 PolarHBondContact O-N 2.87Å
337F83.3Confident87.7Confident3 Ų332.8 Ų32.81%0.01317%0.168CC..Hα-helixtrans-64.8-46172.6172.8-93000111.1V170 L315 M318 V319 M328 V330 T332 E334 R339 K340 V341V170-F337 HydrophobicContact CG2-CD1 4.27Å; V170-F337 HydrophobicContact CG2-CE1 4.09Å; L315-F337 HydrophobicContact CD1-CB 4.37Å; L315-F337 HydrophobicContact CD2-CB 3.79Å; L315-F337 HydrophobicContact CD2-CD2 3.92Å; L315-F337 HydrophobicContact CD2-CG 3.99Å; M318-F337 HydrophobicContact CB-CD2 4.26Å; M318-F337 HydrophobicContact CB-CE2 3.5Å; M318-F337 VanDerWaalsContact CB-CE2 3.5Å; M318-F337 HydrophobicContact CB-CZ 4.1Å; M318-F337 HydrophobicContact CE-CD2 4.41Å; M318-F337 HydrophobicContact CE-CE1 4.02Å; M318-F337 HydrophobicContact CE-CE2 3.9Å; M318-F337 HydrophobicContact CE-CZ 3.69Å; V319-F337 HydrophobicContact CG2-CD2 3.92Å; V319-F337 HydrophobicContact CG2-CE2 4.09Å; M328-F337 HydrophobicContact CE-CZ 4.2Å; V330-F337 HydrophobicContact CB-CE1 4.13Å; V330-F337 HydrophobicContact CG1-CD1 4.32Å; V330-F337 HydrophobicContact CG1-CE1 3.8Å; V330-F337 HydrophobicContact CG2-CE1 4Å; V330-F337 HydrophobicContact CG2-CZ 4.26Å; T332-F337 HydrophobicContact CG2-CD1 4.16Å; E334-F337 HydrophobicContact CB-CB 4.09Å; E334-F337 WeakPolarHBondContact O-CB 3.39Å; E334-F337 PolarHBondContact O-N 3.35Å; F337-R339 VanDerWaalsContact C-N 3.33Å; F337-R339 PolarHBondContact O-N 3.19Å; F337-K340 PolarHBondContact O-N 3.18Å; F337-K340 VanDerWaalsContact O-N 3.15Å; F337-V341 HydrophobicContact CD1-CG2 4.31Å; F337-V341 HydrophobicContact CD2-CG2 3.89Å; F337-V341 HydrophobicContact CE1-CG2 3.86Å; F337-V341 HydrophobicContact CE2-CG2 3.37Å; F337-V341 HydrophobicContact CG-CG2 4.32Å; F337-V341 HydrophobicContact CZ-CG2 3.36Å; F337-V341 WeakPolarHBondContact O-CG2 3.28Å; F337-V341 PolarHBondContact O-N 2.74Å; F337-V341 VanDerWaalsContact O-N 3.1Å
338A83.6Confident87.6Confident4 Ų432.6 Ų32.63%0.03317%0.167CC..Hα-helixtrans-58.1-45.6179.200000111.8V170 E334 M335 K340 A342V170-A338 HydrophobicContact CB-CB 4.26Å; V170-A338 HydrophobicContact CG1-CB 3.98Å; V170-A338 HydrophobicContact CG2-CB 4.03Å; E334-A338 PolarHBondContact O-N 2.89Å; E334-A338 VanDerWaalsContact O-N 3.16Å; M335-A338 PolarHBondContact O-N 2.82Å; A338-K340 PolarHBondContact O-N 2.56Å; A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 2.98Å
339R77.7Confident87.3Confident44 Ų4435.8 Ų35.817%0.16618%0.184CC..Hα-helixtrans-64.3-38.3175.5-73.7173.7174.5155.65.5112.9M335 F337 K359 A367M335-R339 WeakPolarHBondContact O-CB 3.26Å; M335-R339 VanDerWaalsContact O-CG 3.31Å; M335-R339 WeakPolarHBondContact O-CG 3.44Å; M335-R339 PolarHBondContact O-N 3.47Å; F337-R339 VanDerWaalsContact C-N 3.33Å; F337-R339 PolarHBondContact O-N 3.19Å; R339-K359 WeakPolarHBondContact O-CE 3.4Å; R339-K359 PolarHBondContact O-NZ 2.81Å; R339-A367 VanDerWaalsContact CZ-O 3.28Å; R339-A367 PolarHBondContact NH1-O 2.86Å; R339-A367 PolarHBondContact NH2-O 2.99Å
340K81.5Confident87Confident133 Ų13343.2 Ų43.258%0.57822%0.219SC*.Hα-helixtrans-72.2-34.7-175.5-166.6172.9-179.9-173.60113.4D316 V319 G336 F337 A338D316-K340 IonicContact OD1-NZ 2.69Å; V319-K340 HydrophobicContact CG1-CD 4.23Å; V319-K340 HydrophobicContact CG2-CD 3.9Å; V319-K340 HydrophobicContact CG2-CG 4.46Å; G336-K340 VanDerWaalsContact O-CB 3.3Å; G336-K340 WeakPolarHBondContact O-CB 3.35Å; G336-K340 PolarHBondContact O-N 2.87Å; F337-K340 PolarHBondContact O-N 3.18Å; F337-K340 VanDerWaalsContact O-N 3.15Å; A338-K340 PolarHBondContact O-N 2.56Å
341V85.5Confident86.6Confident16 Ų1643.4 Ų43.410%0.09722%0.22CC..Hα-helixtrans-139.9-7.1-171.8-610000117.6V168 V319 A322 F337V168-V341 WeakPolarHBondContact CB-O 3.39Å; V168-V341 HydrophobicContact CG1-CG2 4.35Å; V319-V341 HydrophobicContact CB-CG1 4.24Å; V319-V341 HydrophobicContact CG1-CG1 3.95Å; V319-V341 HydrophobicContact CG2-CG1 4.02Å; A322-V341 HydrophobicContact CB-CB 3.71Å; A322-V341 HydrophobicContact CB-CG1 3.92Å; A322-V341 HydrophobicContact CB-CG2 3.91Å; F337-V341 HydrophobicContact CD1-CG2 4.31Å; F337-V341 HydrophobicContact CD2-CG2 3.89Å; F337-V341 HydrophobicContact CE1-CG2 3.86Å; F337-V341 HydrophobicContact CE2-CG2 3.37Å; F337-V341 HydrophobicContact CG-CG2 4.32Å; F337-V341 HydrophobicContact CZ-CG2 3.36Å; F337-V341 WeakPolarHBondContact O-CG2 3.28Å; F337-V341 PolarHBondContact O-N 2.74Å; F337-V341 VanDerWaalsContact O-N 3.1Å
342A87.2Confident86.5Confident7 Ų748.3 Ų48.36%0.05824%0.242CC..  trans-73.9137.4-18000000111.7V170 A338 V345V170-A342 HydrophobicContact CB-CB 4.2Å; V170-A342 HydrophobicContact CG2-CB 3.69Å; A338-A342 WeakPolarHBondContact O-CB 3.37Å; A338-A342 PolarHBondContact O-N 2.98Å; A342-V345 HydrophobicContact CB-CG2 4.46Å
343N87.6Confident86.6Confident81 Ų8150 Ų5043%0.43325%0.25SS..SBendtrans-84.5-35.4168.3-55.2118000111.1E167 V168 K359E167-N343 WeakPolarHBondContact CA-OD1 3.41Å; E167-N343 HydrophobicContact CG-CB 3.9Å; V168-N343 PolarHBondContact N-OD1 2.84Å; V168-N343 PolarHBondContact O-N 3.23Å; N343-K359 PolarHBondContact O-N 3.46Å; N343-K359 VanDerWaalsContact O-N 3.09Å
344R89.6Confident86.8Confident39 Ų3950.3 Ų50.315%0.14726%0.258CS..EExtended strand (participates in β ladder)trans-139.8151.9178.5-80.6159.367.5-160.40.7111.2T161 E162 E167 V168 V169 V170 D356 S357T161-R344 PolarHBondContact OG1-NH2 3.39Å; E162-R344 PolarHBondContact O-NH1 2.88Å; E162-R344 PolarHBondContact O-NH2 3.06Å; E167-R344 WeakPolarHBondContact OE1-CD 3.16Å; E167-R344 IonicContact OE1-NH1 3.46Å; E167-R344 PolarHBondContact OE1-NH1 3.34Å; E167-R344 IonicContact OE2-NH1 2.97Å; E167-R344 PolarHBondContact OE2-NH1 2.91Å; V168-R344 PolarHBondContact O-N 3.02Å; V169-R344 WeakPolarHBondContact CA-O 3.39Å; V169-R344 HydrophobicContact CG2-CB 4.37Å; V170-R344 PolarHBondContact N-O 3.26Å; R344-D356 IonicContact CZ-OD1 3.7Å; R344-D356 VanDerWaalsContact CZ-OD1 3.25Å; R344-D356 IonicContact CZ-OD2 2.7Å; R344-D356 IonicContact NE-OD1 3.63Å; R344-D356 PolarHBondContact NE-OD1 2.83Å; R344-D356 IonicContact NH2-OD1 3.37Å; R344-D356 PolarHBondContact NH2-OD1 3.44Å; R344-D356 IonicContact NH2-OD2 3.03Å; R344-D356 PolarHBondContact NH2-OD2 3.15Å; R344-S357 CarbonylContact C-O 3.6Å; R344-S357 VanDerWaalsContact CA-O 3.24Å; R344-S357 WeakPolarHBondContact CA-O 3.46Å; R344-S357 WeakPolarHBondContact CB-O 3.44Å; R344-S357 WeakPolarHBondContact CG-O 3.47Å
345V90.6Very high86.9Confident11 Ų1150.9 Ų50.97%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-120.8133.1173.7-176.70000108.5V170 C172 A342 S357V170-V345 CarbonylContact O-C 3.58Å; V170-V345 WeakPolarHBondContact O-CA 3.36Å; C172-V345 WeakPolarHBondContact SG-CG1 3.36Å; A342-V345 HydrophobicContact CB-CG2 4.46Å; V345-S357 PolarHBondContact N-O 3.4Å; V345-S357 PolarHBondContact O-N 3.41Å
346I92Very high87.2Confident0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-111.5116176.5-65.7-178.5000107.7T161 V169 V170 V171 C172 M348 I353 E355 D356T161-I346 HydrophobicContact CG2-CD1 3.89Å; T161-I346 WeakPolarHBondContact OG1-CD1 3.06Å; V169-I346 HydrophobicContact CG1-CD1 3.46Å; V169-I346 VanDerWaalsContact CG1-CD1 3.46Å; V169-I346 HydrophobicContact CG1-CG1 3.75Å; V170-I346 PolarHBondContact O-N 2.99Å; V171-I346 CarbonylContact C-O 3.59Å; V171-I346 WeakPolarHBondContact CA-O 3.47Å; V171-I346 HydrophobicContact CG1-CG2 4.4Å; V171-I346 HydrophobicContact CG2-CB 4.31Å; C172-I346 PolarHBondContact N-O 2.99Å; I346-M348 HydrophobicContact CG2-CG 4.26Å; I346-I353 HydrophobicContact CG2-CB 4.41Å; I346-I353 HydrophobicContact CG2-CD1 4.08Å; I346-I353 HydrophobicContact CG2-CG1 3.85Å; I346-I353 HydrophobicContact CG2-CG2 3.87Å; I346-E355 CarbonylContact C-O 3.56Å; I346-E355 VanDerWaalsContact CA-O 3.28Å; I346-E355 WeakPolarHBondContact CA-O 3.3Å; I346-D356 HydrophobicContact CG1-CB 4.08Å
347F91.1Very high87.4Confident76 Ų7648.1 Ų48.133%0.33324%0.236SC..EExtended strand (participates in β ladder)trans-92.8121.6173.5-168.5-94.5000110.1D349 V354 E355F347-D349 HydrophobicContact CE1-CB 4.07Å; F347-V354 HydrophobicContact CD1-CB 4.24Å; F347-V354 PolarHBondContact O-N 3.25Å; F347-E355 HydrophobicContact CB-CB 3.96Å; F347-E355 PolarHBondContact N-O 3.49Å; F347-E355 PolarHBondContact O-N 3.36Å
348M92.2Very high87.2Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-108.9128.5176.3-71.2-170.376.200112.2L156 V171 C172 G173 P174 S177 K179 L182 I346 K352 I353L156-M348 HydrophobicContact CD2-CE 3.66Å; V171-M348 HydrophobicContact CG1-CG 3.9Å; V171-M348 HydrophobicContact CG1-SD 3.72Å; C172-M348 PolarHBondContact O-N 3.23Å; G173-M348 WeakPolarHBondContact CA-O 3.43Å; P174-M348 WeakPolarHBondContact CD-O 3.37Å; S177-M348 WeakPolarHBondContact CB-O 3.48Å; S177-M348 WeakPolarHBondContact O-CE 3.35Å; S177-M348 PolarHBondContact OG-O 3.17Å; K179-M348 HydrophobicContact CB-SD 4.44Å; K179-M348 HydrophobicContact CG-CB 4.31Å; K179-M348 HydrophobicContact CG-SD 4.31Å; L182-M348 HydrophobicContact CB-CE 4.24Å; L182-M348 HydrophobicContact CB-SD 4.05Å; L182-M348 HydrophobicContact CD2-CE 4.15Å; L182-M348 HydrophobicContact CD2-SD 3.53Å; L182-M348 VanDerWaalsContact CD2-SD 3.53Å; L182-M348 HydrophobicContact CG-SD 4.36Å; I346-M348 HydrophobicContact CG2-CG 4.26Å; M348-K352 WeakPolarHBondContact CA-O 3.24Å; M348-I353 HydrophobicContact CG-CG1 4.2Å
349D89.5Confident86.4Confident67 Ų6753.1 Ų53.136%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-137.6147.7169.5-164.320000111.5F347 G351 K352 V354F347-D349 HydrophobicContact CE1-CB 4.07Å; D349-G351 PolarHBondContact O-N 3.47Å; D349-K352 PolarHBondContact N-O 3.12Å; D349-K352 VanDerWaalsContact N-O 3.13Å; D349-K352 PolarHBondContact O-N 3.21Å; D349-V354 HydrophobicContact CB-CG2 3.85Å
350E87.8Confident85.2Confident158 Ų15857.1 Ų57.174%0.73829%0.289SS*.THydrogen-bonded Turntrans43.135.3-176.2-59.7-162.4146.300115.3K352E350-K352 VanDerWaalsContact C-N 3.3Å; E350-K352 PolarHBondContact O-N 2.87Å
351G88Confident83.4Confident3 Ų353.6 Ų53.63%0.03129%0.285CS..THydrogen-bonded Turntrans77.66.7-17900000115.2V155 L156 T157 C159 S177 D349V155-G351 WeakPolarHBondContact O-CA 3.4Å; L156-G351 CarbonylContact C-O 3.58Å; L156-G351 WeakPolarHBondContact CA-O 3.25Å; T157-G351 PolarHBondContact N-O 3.45Å; C159-G351 PolarHBondContact SG-O 2.93Å; S177-G351 VanDerWaalsContact O-CA 3.29Å; S177-G351 WeakPolarHBondContact O-CA 3.48Å; S177-G351 PolarHBondContact O-N 3.45Å; D349-G351 PolarHBondContact O-N 3.47Å
352K90.9Very high81Confident104 Ų10454.1 Ų54.145%0.45229%0.29SS..EExtended strand (participates in β ladder)trans-105.2155.2175-66.2172.3-175.4164.70110.4T157 M348 D349 E350T157-K352 HydrophobicContact CG2-CG 4.21Å; M348-K352 WeakPolarHBondContact CA-O 3.24Å; D349-K352 PolarHBondContact N-O 3.12Å; D349-K352 VanDerWaalsContact N-O 3.13Å; D349-K352 PolarHBondContact O-N 3.21Å; E350-K352 VanDerWaalsContact C-N 3.3Å; E350-K352 PolarHBondContact O-N 2.87Å
353I91.8Very high78.4Confident35 Ų3556.3 Ų56.318%0.17930%0.302CS..EExtended strand (participates in β ladder)trans-82113.2158.7-68.6173.9000105.7C159 T161 L182 I346 M348 E355 D356C159-I353 HydrophobicContact CB-CD1 3.97Å; C159-I353 HydrophobicContact CB-CG1 4.18Å; T161-I353 HydrophobicContact CG2-CD1 4.01Å; L182-I353 HydrophobicContact CD2-CD1 4.31Å; I346-I353 HydrophobicContact CG2-CB 4.41Å; I346-I353 HydrophobicContact CG2-CD1 4.08Å; I346-I353 HydrophobicContact CG2-CG1 3.85Å; I346-I353 HydrophobicContact CG2-CG2 3.87Å; M348-I353 HydrophobicContact CG-CG1 4.2Å; I353-E355 WeakPolarHBondContact CG2-O 3.45Å; I353-D356 HydrophobicContact CG2-CB 4.04Å
354V89.1Confident75.8Confident98 Ų9860.5 Ų60.559%0.59432%0.319SS*.EExtended strand (participates in β ladder)trans-90.1-38.1179.3179.80000109.9F347 D349F347-V354 HydrophobicContact CD1-CB 4.24Å; F347-V354 PolarHBondContact O-N 3.25Å; D349-V354 HydrophobicContact CB-CG2 3.85Å
355E86.2Confident73Confident69 Ų6968.1 Ų68.132%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-135.3142.2175.7-154.4-171.2151.800110.4I346 F347 I353 S357 S362I346-E355 CarbonylContact C-O 3.56Å; I346-E355 VanDerWaalsContact CA-O 3.28Å; I346-E355 WeakPolarHBondContact CA-O 3.3Å; F347-E355 HydrophobicContact CB-CB 3.96Å; F347-E355 PolarHBondContact N-O 3.49Å; F347-E355 PolarHBondContact O-N 3.36Å; I353-E355 WeakPolarHBondContact CG2-O 3.45Å; E355-S357 WeakPolarHBondContact OE1-CB 3.35Å; E355-S357 PolarHBondContact OE1-OG 2.95Å; E355-S362 VanDerWaalsContact OE1-CA 3.28Å; E355-S362 WeakPolarHBondContact OE1-CA 3.31Å; E355-S362 VanDerWaalsContact OE1-CB 3.27Å; E355-S362 WeakPolarHBondContact OE1-CB 3.38Å
356D88.9Confident69.9Low52 Ų5270.1 Ų70.128%0.27838%0.379SS..EExtended strand (participates in β ladder)trans-142.394.7169.7178.3-11.1000106.7T161 R344 I346 I353T161-D356 VanDerWaalsContact CB-OD2 3.26Å; T161-D356 WeakPolarHBondContact CB-OD2 3.19Å; T161-D356 PolarHBondContact OG1-OD2 3.1Å; R344-D356 IonicContact CZ-OD1 3.7Å; R344-D356 VanDerWaalsContact CZ-OD1 3.25Å; R344-D356 IonicContact CZ-OD2 2.7Å; R344-D356 IonicContact NE-OD1 3.63Å; R344-D356 PolarHBondContact NE-OD1 2.83Å; R344-D356 IonicContact NH2-OD1 3.37Å; R344-D356 PolarHBondContact NH2-OD1 3.44Å; R344-D356 IonicContact NH2-OD2 3.03Å; R344-D356 PolarHBondContact NH2-OD2 3.15Å; I346-D356 HydrophobicContact CG1-CB 4.08Å; I353-D356 HydrophobicContact CG2-CB 4.04Å
357S80.6Confident67Low11 Ų1174.3 Ų74.38%0.07741%0.414CS..EExtended strand (participates in β ladder)trans-133.4154.3-168.766.50000111.9R344 V345 E355 S362R344-S357 CarbonylContact C-O 3.6Å; R344-S357 VanDerWaalsContact CA-O 3.24Å; R344-S357 WeakPolarHBondContact CA-O 3.46Å; R344-S357 WeakPolarHBondContact CB-O 3.44Å; R344-S357 WeakPolarHBondContact CG-O 3.47Å; V345-S357 PolarHBondContact N-O 3.4Å; V345-S357 PolarHBondContact O-N 3.41Å; E355-S357 WeakPolarHBondContact OE1-CB 3.35Å; E355-S357 PolarHBondContact OE1-OG 2.95Å; S357-S362 WeakPolarHBondContact OG-CB 3.47Å; S357-S362 PolarHBondContact OG-OG 3.19Å
358P78.9Confident64.6Low77 Ų7774.6 Ų74.650%0.542%0.422SS..EExtended strand (participates in β ladder)trans-53.9150167.4-22.634.3000110.4D360 A361P358-D360 PolarHBondContact O-N 2.88Å; P358-A361 PolarHBondContact O-N 3.09Å
359K67.9Low62.8Low35 Ų3579 Ų7915%0.15244%0.444CS..THydrogen-bonded Turntrans-42-40.6-178.4-176.9-161.6137.3-179.30113.3R339 N343 A361 T363 E485R339-K359 WeakPolarHBondContact O-CE 3.4Å; R339-K359 PolarHBondContact O-NZ 2.81Å; N343-K359 PolarHBondContact O-N 3.46Å; N343-K359 VanDerWaalsContact O-N 3.09Å; K359-A361 VanDerWaalsContact C-N 3.27Å; K359-A361 PolarHBondContact O-N 3.43Å; K359-T363 PolarHBondContact O-OG1 2.71Å; K359-E485 IonicContact NZ-OE1 2.67Å; K359-E485 PolarHBondContact NZ-OE1 2.56Å
360D52.7Low62.5Low127 Ų12777.1 Ų77.168%0.67944%0.437SS*.THydrogen-bonded Turntrans-81.21.4-170.7-44.9-42.7000114.3P358P358-D360 PolarHBondContact O-N 2.88Å
361A42.7Very low62.7Low59 Ų5972.1 Ų72.149%0.48842%0.415SS..THydrogen-bonded Turntrans-112.6-26-175.900000115P358 K359P358-A361 PolarHBondContact O-N 3.09Å; K359-A361 VanDerWaalsContact C-N 3.27Å; K359-A361 PolarHBondContact O-N 3.43Å
362S35.6Very low63.1Low28 Ų2872.4 Ų72.420%0.19642%0.416CS..SBendtrans-91.1-13.8-174.4120000114.9E355 S357 Q364E355-S362 VanDerWaalsContact OE1-CA 3.28Å; E355-S362 WeakPolarHBondContact OE1-CA 3.31Å; E355-S362 VanDerWaalsContact OE1-CB 3.27Å; E355-S362 WeakPolarHBondContact OE1-CB 3.38Å; S357-S362 WeakPolarHBondContact OG-CB 3.47Å; S357-S362 PolarHBondContact OG-OG 3.19Å; S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 3.2Å
363T33.9Very low63.4Low52 Ų5267.4 Ų67.432%0.31940%0.395SS..THydrogen-bonded Turntrans-82.512.4-164.729.80000116.6K359 Q365K359-T363 PolarHBondContact O-OG1 2.71Å; T363-Q365 PolarHBondContact O-N 3.31Å
364Q32.8Very low63.7Low169 Ų16965.8 Ų65.879%0.7939%0.387SS*.THydrogen-bonded Turntrans-82.2-5.2-174-74.9-165.6-36.600116S362S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 3.2Å
365Q29.3Very low64.1Low200 Ų20061.1 Ų61.194%0.93536%0.358SS*.SBendtrans-136.176.2178.6-68.1-174.7-5.800112.6T363T363-Q365 PolarHBondContact O-N 3.31Å
366G27Very low64.6Low52 Ų5257.9 Ų57.954%0.53634%0.343SS..SBendtrans151.8101.3170.700000113.5
367A30.3Very low64.9Low88 Ų8855.4 Ų55.473%0.72733%0.33SS*.SBendtrans4763.5177.800000113.3R339R339-A367 VanDerWaalsContact CZ-O 3.28Å; R339-A367 PolarHBondContact NH1-O 2.86Å; R339-A367 PolarHBondContact NH2-O 2.99Å
368T41.1Very low65.5Low83 Ų8354.9 Ų54.951%0.50933%0.326SS..PPolyproline II helixtrans-49.7135.4176.631.10000111.5
369M53.7Low66Low93 Ų9351.2 Ų51.246%0.45830%0.303SS..PPolyproline II helixtrans-74.2140.7152.3-65.6-148.6-50.600106.7L371 E485M369-L371 PolarHBondContact O-N 2.99Å; M369-E485 HydrophobicContact CE-CG 4.45Å; M369-E485 WeakPolarHBondContact CE-OE1 3.38Å; M369-E485 WeakPolarHBondContact CE-OE2 3.48Å
370A83.4Confident67Low27 Ų2749.6 Ų49.622%0.22330%0.295CS..PPolyproline II helixtrans-58.5134.1172.900000110.1P372 P394 E395 D397A370-P372 WeakPolarHBondContact O-CD 2.87Å; A370-P394 WeakPolarHBondContact CB-O 3.39Å; A370-E395 CarbonylContact C-O 3.41Å; A370-E395 VanDerWaalsContact CA-O 3.32Å; A370-E395 WeakPolarHBondContact CA-O 3.21Å; A370-D397 HydrophobicContact CB-CB 3.72Å
371L91.1Very high68.8Low53 Ų5343.5 Ų43.528%0.27726%0.263SS..EExtended strand (participates in β ladder)trans-66.4119.1-179.4177.272000109M369 I373 E395 L396 D397 L616M369-L371 PolarHBondContact O-N 2.99Å; L371-I373 HydrophobicContact CD2-CG2 4.11Å; L371-I373 HydrophobicContact CG-CG2 4.11Å; L371-I373 PolarHBondContact O-N 2.84Å; L371-E395 PolarHBondContact N-O 3.16Å; L371-L396 HydrophobicContact CB-CD2 4.05Å; L371-L396 HydrophobicContact CD2-CD2 4.12Å; L371-D397 PolarHBondContact O-N 3.19Å; L371-L616 HydrophobicContact CD2-CD2 3.96Å
372P96.3Very high71.1Confident8 Ų841 Ų415%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-67.3120.117826.9-34.4000110.4A370 D397 K399 E485 V487 T488A370-P372 WeakPolarHBondContact O-CD 2.87Å; P372-D397 WeakPolarHBondContact CA-O 3.47Å; P372-K399 HydrophobicContact CB-CG 4.14Å; P372-E485 HydrophobicContact CG-CB 4.4Å; P372-V487 HydrophobicContact CB-CG2 4.37Å; P372-V487 WeakPolarHBondContact O-CA 3.5Å; P372-V487 WeakPolarHBondContact O-CG1 3.5Å; P372-T488 PolarHBondContact O-N 3.45Å
373I97.7Very high73.8Confident0 Ų039.7 Ų39.70%023%0.232CC..EExtended strand (participates in β ladder)trans-122.8151.7177.171.8170.7000112.3L371 L375 A390 L396 D397 V398 K399 T488 V490 I613 L616L371-I373 HydrophobicContact CD2-CG2 4.11Å; L371-I373 HydrophobicContact CG-CG2 4.11Å; L371-I373 PolarHBondContact O-N 2.84Å; I373-L375 HydrophobicContact CD1-CD1 4.45Å; I373-A390 HydrophobicContact CD1-CB 4.28Å; I373-L396 HydrophobicContact CD1-CB 4.17Å; I373-L396 HydrophobicContact CD1-CD1 3.94Å; I373-L396 HydrophobicContact CD1-CG 4.48Å; I373-L396 HydrophobicContact CG2-CD2 4.26Å; I373-D397 PolarHBondContact N-O 2.82Å; I373-V398 HydrophobicContact CD1-CG2 3.96Å; I373-V398 HydrophobicContact CG1-CB 4.44Å; I373-V398 HydrophobicContact CG1-CG2 3.91Å; I373-K399 PolarHBondContact O-N 2.9Å; I373-T488 CarbonylContact C-O 3.55Å; I373-T488 VanDerWaalsContact CA-O 3.24Å; I373-T488 WeakPolarHBondContact CA-O 3.45Å; I373-V490 HydrophobicContact CB-CG2 4.45Å; I373-I613 HydrophobicContact CD1-CD1 4.01Å; I373-L616 HydrophobicContact CG2-CD1 4.23Å
374L97.9Very high76.6Confident1 Ų137.2 Ų37.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-123.9125.5167.6-178.1153.5000107.8A400 M476 T479 V487 T488 I489 V490L374-A400 HydrophobicContact CD1-CB 3.97Å; L374-A400 HydrophobicContact CG-CB 4.17Å; L374-M476 HydrophobicContact CD1-CB 4.07Å; L374-M476 HydrophobicContact CD1-CG 3.76Å; L374-M476 HydrophobicContact CD2-CE 3.76Å; L374-M476 HydrophobicContact CD2-CG 3.86Å; L374-T479 HydrophobicContact CD1-CG2 4.15Å; L374-V487 HydrophobicContact CB-CG1 4.03Å; L374-T488 PolarHBondContact N-O 3.15Å; L374-I489 HydrophobicContact CD2-CG2 4.49Å; L374-I489 CarbonylContact O-C 3.56Å; L374-I489 WeakPolarHBondContact O-CA 3.48Å; L374-V490 PolarHBondContact O-N 3.02Å
375L97.5Very high79.6Confident0 Ų029.2 Ų29.20%018%0.18CC..EExtended strand (participates in β ladder)trans-94.2130.3178.5-87.7152.8000110.4I373 A390 V398 A400 I401 T402 V490 I613I373-L375 HydrophobicContact CD1-CD1 4.45Å; L375-A390 HydrophobicContact CD1-CB 3.86Å; L375-V398 HydrophobicContact CD1-CG1 4.22Å; L375-V398 HydrophobicContact CD1-CG2 4.5Å; L375-A400 PolarHBondContact N-O 3.43Å; L375-A400 VanDerWaalsContact N-O 3.17Å; L375-I401 HydrophobicContact CB-CB 4.5Å; L375-I401 HydrophobicContact CB-CG1 4.18Å; L375-I401 HydrophobicContact CB-CG2 4.11Å; L375-I401 HydrophobicContact CD1-CD1 4.38Å; L375-I401 CarbonylContact O-C 3.53Å; L375-I401 WeakPolarHBondContact O-CA 3.47Å; L375-T402 PolarHBondContact O-N 2.76Å; L375-T402 PolarHBondContact O-OG1 3.19Å; L375-V490 CarbonylContact C-O 3.36Å; L375-V490 WeakPolarHBondContact CA-O 3.42Å; L375-V490 HydrophobicContact CD2-CB 3.96Å; L375-V490 HydrophobicContact CD2-CG1 3.88Å; L375-V490 HydrophobicContact CG-CB 4.39Å; L375-I613 HydrophobicContact CD2-CD1 4.28Å
376D97.3Very high82.7Confident0 Ų019.8 Ų19.80%014%0.136CC..EExtended strand (participates in β ladder)trans-121.9100.1172-169.351.4000109T402 M476 V490 S491 T492 G493 N497 V498D376-T402 WeakPolarHBondContact CA-O 3.39Å; D376-T402 WeakPolarHBondContact OD1-CB 3.34Å; D376-T402 PolarHBondContact OD1-OG1 3.24Å; D376-M476 HydrophobicContact CB-CE 4.28Å; D376-V490 PolarHBondContact N-O 2.75Å; D376-S491 CarbonylContact O-C 3.52Å; D376-S491 VanDerWaalsContact O-CA 3.3Å; D376-S491 WeakPolarHBondContact O-CA 3.29Å; D376-T492 PolarHBondContact O-N 2.89Å; D376-G493 PolarHBondContact O-N 2.99Å; D376-N497 PolarHBondContact OD1-ND2 2.95Å; D376-N497 WeakPolarHBondContact OD2-CB 3.4Å; D376-V498 HydrophobicContact CB-CG2 4.5Å
377C95Very high86Confident1 Ų117.3 Ų17.31%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-130.3162.8-16457.60000112.7P379 D383 I401 T402 S403 S404 T492C377-P379 HydrophobicContact CB-CG 4.34Å; C377-D383 WeakPolarHBondContact CB-OD1 3.43Å; C377-I401 VanDerWaalsContact SG-CG2 3.58Å; C377-T402 PolarHBondContact N-O 3.23Å; C377-S403 CarbonylContact O-C 3.56Å; C377-S403 WeakPolarHBondContact O-CA 3.46Å; C377-S404 PolarHBondContact O-N 2.86Å; C377-T492 WeakPolarHBondContact CA-OG1 3.25Å; C377-T492 WeakPolarHBondContact CB-OG1 3.28Å
378D93.6Very high89Confident0 Ų013.1 Ų13.10%08%0.076CC..  trans-126.965.4177.763-42.3000111.5G380 G406 N407 T413 G493D378-G380 PolarHBondContact O-N 2.9Å; D378-G380 VanDerWaalsContact O-N 3.12Å; D378-G406 WeakPolarHBondContact OD2-CA 3.42Å; D378-N407 WeakPolarHBondContact O-CB 3.38Å; D378-N407 PolarHBondContact O-ND2 3.38Å; D378-N407 VanDerWaalsContact O-ND2 3.16Å; D378-N407 PolarHBondContact OD2-N 3.11Å; D378-N407 PolarHBondContact OD2-ND2 3.42Å; D378-T413 HydrophobicContact CB-CG2 4.08Å; D378-G493 WeakPolarHBondContact OD1-CA 3.28Å; D378-G493 PolarHBondContact OD1-N 3.02Å
379P88.7Confident91.6Very high0 Ų09.2 Ų9.20%05%0.051CC..  trans-55.1108.4-144.6-3337.3000118.6C377 D383 I387 N416 V417C377-P379 HydrophobicContact CB-CG 4.34Å; P379-D383 WeakPolarHBondContact CA-OD2 3.13Å; P379-D383 HydrophobicContact CB-CB 4.07Å; P379-D383 HydrophobicContact CG-CB 4.47Å; P379-I387 HydrophobicContact CG-CD1 4.19Å; P379-N416 HydrophobicContact CB-CB 3.84Å; P379-N416 HydrophobicContact CG-CB 4.48Å; P379-N416 PolarHBondContact O-ND2 2.86Å; P379-V417 HydrophobicContact CG-CG2 3.56Å
380G89.1Confident93.6Very high0 Ų04.8 Ų4.80%03%0.03CC..  trans-95.4-175155.500000113.6D378 D382 D383 A384 H450 G454 L455D378-G380 PolarHBondContact O-N 2.9Å; D378-G380 VanDerWaalsContact O-N 3.12Å; G380-D382 VanDerWaalsContact C-N 3.33Å; G380-D382 PolarHBondContact O-N 2.82Å; G380-D383 PolarHBondContact N-OD2 2.88Å; G380-D383 PolarHBondContact O-N 3.38Å; G380-A384 WeakPolarHBondContact O-CB 3.02Å; G380-A384 PolarHBondContact O-N 3.5Å; G380-H450 WeakPolarHBondContact CA-ND1 3.09Å; G380-G454 WeakPolarHBondContact CA-O 3.31Å; G380-L455 WeakPolarHBondContact O-CD2 3.48Å
381H90.8Very high94Very high0 Ų04.6 Ų4.60%03%0.025CC..Hα-helixtrans-52.6-43.3-179.2-58.293.1000114I385 H450 D456 F590 F591H381-I385 WeakPolarHBondContact O-CG1 3.32Å; H381-I385 PolarHBondContact O-N 2.7Å; H381-H450 PolarHBondContact CE1-O 2.88Å; H381-H450 AromaticContact ND1-ND1 3.5Å; H381-H450 PolarHBondContact ND1-ND1 3.37Å; H381-D456 PolarHBondContact NE2-N 3.01Å; H381-D456 PolarHBondContact NE2-O 3.5Å; H381-F590 AromaticContact CE1-CD1 3.4Å; H381-F590 VanDerWaalsContact CE1-CD1 3.4Å; H381-F590 WeakPolarHBondContact CE1-CD1 3.32Å; H381-F590 AromaticContact CE1-CE1 3.62Å; H381-F590 AromaticContact NE2-CD1 3.28Å; H381-F590 VanDerWaalsContact NE2-CD1 3.28Å; H381-F590 WeakPolarHBondContact NE2-CD1 3.32Å; H381-F590 AromaticContact NE2-CE1 3.82Å; H381-F590 AromaticContact NE2-CG 3.96Å; H381-F591 HydrophobicContact CB-CB 3.98Å; H381-F591 HydrophobicContact CB-CD1 4.43Å; H381-F591 HydrophobicContact CB-CD2 3.89Å; H381-F591 HydrophobicContact CB-CE2 4.41Å; H381-F591 HydrophobicContact CB-CG 3.89Å; H381-F591 AromaticContact CG-CD2 3.98Å; H381-F591 AromaticContact ND1-CD2 3.72Å
382D90.3Very high93.9Very high6 Ų62.5 Ų2.53%0.0322%0.016CC..Hα-helixtrans-80.9-36-179.641.9-23.6000113.6G380 A384 I385 A386 H450 F591 L607 H608 P610G380-D382 VanDerWaalsContact C-N 3.33Å; G380-D382 PolarHBondContact O-N 2.82Å; D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.1Å; D382-I385 CarbonylContact O-C 3.56Å; D382-I385 PolarHBondContact O-N 2.73Å; D382-I385 VanDerWaalsContact O-N 3.14Å; D382-A386 PolarHBondContact O-N 3.13Å; D382-H450 IonicContact OD1-CE1 3.14Å; D382-F591 HydrophobicContact CB-CE1 4.15Å; D382-F591 HydrophobicContact CB-CZ 4.39Å; D382-F591 WeakPolarHBondContact OD1-CZ 3.37Å; D382-L607 HydrophobicContact CB-CD2 3.84Å; D382-H608 WeakPolarHBondContact OD2-CB 3.36Å; D382-H608 IonicContact OD2-CD2 3.33Å; D382-H608 PolarHBondContact OD2-CD2 3.22Å; D382-H608 IonicContact OD2-CG 4Å; D382-H608 PolarHBondContact OD2-N 2.86Å; D382-P610 WeakPolarHBondContact O-CD 3.16Å; D382-P610 WeakPolarHBondContact O-CG 3.31Å
383D93Very high93.7Very high0 Ų02.3 Ų2.30%01%0.014CC..Hα-helixtrans-54.2-44165.1-71.8-82.3000111.5C377 P379 G380 I385 A386 I387 N407 T492 D609C377-D383 WeakPolarHBondContact CB-OD1 3.43Å; P379-D383 WeakPolarHBondContact CA-OD2 3.13Å; P379-D383 HydrophobicContact CB-CB 4.07Å; P379-D383 HydrophobicContact CG-CB 4.47Å; G380-D383 PolarHBondContact N-OD2 2.88Å; G380-D383 PolarHBondContact O-N 3.38Å; D383-I385 VanDerWaalsContact C-N 3.29Å; D383-I385 PolarHBondContact O-N 3.17Å; D383-A386 CarbonylContact O-C 3.53Å; D383-A386 WeakPolarHBondContact O-CA 3.43Å; D383-A386 WeakPolarHBondContact O-CB 3.33Å; D383-A386 PolarHBondContact O-N 3.48Å; D383-A386 VanDerWaalsContact O-N 3.08Å; D383-I387 WeakPolarHBondContact O-CG1 3.11Å; D383-I387 PolarHBondContact O-N 3.47Å; D383-N407 PolarHBondContact OD2-ND2 3.23Å; D383-N407 VanDerWaalsContact OD2-ND2 3.16Å; D383-T492 VanDerWaalsContact OD1-CB 3.3Å; D383-T492 WeakPolarHBondContact OD1-CB 3.38Å; D383-T492 PolarHBondContact OD1-OG1 3.46Å; D383-D609 PolarHBondContact N-OD2 3.5Å
384A93.2Very high93.1Very high0 Ų07.4 Ų7.40%05%0.047CC..Hα-helixtrans-62.2-39.1179.200000111.3G380 D382 A386 I387 V388 M420 L455 L587G380-A384 WeakPolarHBondContact O-CB 3.02Å; G380-A384 PolarHBondContact O-N 3.5Å; D382-A384 VanDerWaalsContact C-N 3.26Å; D382-A384 PolarHBondContact O-N 3.1Å; A384-A386 VanDerWaalsContact C-N 3.34Å; A384-I387 PolarHBondContact O-N 2.99Å; A384-V388 VanDerWaalsContact O-CG2 3.24Å; A384-V388 WeakPolarHBondContact O-CG2 3.48Å; A384-V388 PolarHBondContact O-N 2.96Å; A384-M420 HydrophobicContact CB-CE 3.86Å; A384-M420 HydrophobicContact CB-CG 4.09Å; A384-M420 HydrophobicContact CB-SD 3.84Å; A384-L455 HydrophobicContact CB-CD1 4.41Å; A384-L455 HydrophobicContact CB-CD2 3.6Å; A384-L587 HydrophobicContact CB-CD1 3.89Å
385I94.5Very high92.8Very high2 Ų211.5 Ų11.51%0.017%0.066CC..Hα-helixtrans-69.3-32.8173.5-63.6164.6000111.1H381 D382 D383 V388 L389 V584 L587 L588 L607 P610 L671H381-I385 WeakPolarHBondContact O-CG1 3.32Å; H381-I385 PolarHBondContact O-N 2.7Å; D382-I385 CarbonylContact O-C 3.56Å; D382-I385 PolarHBondContact O-N 2.73Å; D382-I385 VanDerWaalsContact O-N 3.14Å; D383-I385 VanDerWaalsContact C-N 3.29Å; D383-I385 PolarHBondContact O-N 3.17Å; I385-V388 PolarHBondContact O-N 3.05Å; I385-L389 WeakPolarHBondContact O-CB 3.33Å; I385-L389 PolarHBondContact O-N 2.9Å; I385-V584 HydrophobicContact CD1-CG1 4.36Å; I385-V584 HydrophobicContact CG1-CG1 4.19Å; I385-V584 HydrophobicContact CG1-CG2 4.47Å; I385-L587 HydrophobicContact CG1-CD1 4.44Å; I385-L588 HydrophobicContact CD1-CD2 3.94Å; I385-L588 HydrophobicContact CD1-CG 3.95Å; I385-L607 HydrophobicContact CD1-CD1 4.36Å; I385-L607 HydrophobicContact CD1-CD2 3.69Å; I385-L607 HydrophobicContact CG2-CD1 4.08Å; I385-P610 HydrophobicContact CB-CG 3.97Å; I385-P610 HydrophobicContact CG2-CB 4.39Å; I385-P610 HydrophobicContact CG2-CG 3.75Å; I385-L671 HydrophobicContact CG2-CD2 3.86Å
386A95.5Very high92.6Very high1 Ų112.2 Ų12.21%0.0087%0.07CC..Hα-helixtrans-68.3-41174.600000111.8D382 D383 A384 L389 A390 D609 P610 I613D382-A386 PolarHBondContact O-N 3.13Å; D383-A386 CarbonylContact O-C 3.53Å; D383-A386 WeakPolarHBondContact O-CA 3.43Å; D383-A386 WeakPolarHBondContact O-CB 3.33Å; D383-A386 PolarHBondContact O-N 3.48Å; D383-A386 VanDerWaalsContact O-N 3.08Å; A384-A386 VanDerWaalsContact C-N 3.34Å; A386-L389 PolarHBondContact O-N 3.35Å; A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.28Å; A386-A390 PolarHBondContact O-N 3.4Å; A386-D609 HydrophobicContact CB-CB 3.83Å; A386-P610 HydrophobicContact CB-CB 4.47Å; A386-P610 HydrophobicContact CB-CG 4.08Å; A386-I613 HydrophobicContact CB-CG1 4.35Å
387I95.7Very high92.5Very high1 Ų114.9 Ų14.91%0.0058%0.084CC..Hα-helixtrans-61.8-44.9172.3-68.4166.4000110.4P379 D383 A384 A390 L391 I401 M420 L424P379-I387 HydrophobicContact CG-CD1 4.19Å; D383-I387 WeakPolarHBondContact O-CG1 3.11Å; D383-I387 PolarHBondContact O-N 3.47Å; A384-I387 PolarHBondContact O-N 2.99Å; I387-A390 PolarHBondContact O-N 2.9Å; I387-L391 HydrophobicContact CG2-CD1 3.73Å; I387-L391 WeakPolarHBondContact O-CB 3.29Å; I387-L391 VanDerWaalsContact O-CG 3.31Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.45Å; I387-I401 HydrophobicContact CG2-CD1 4.37Å; I387-M420 HydrophobicContact CG2-CB 4.29Å; I387-L424 HydrophobicContact CG2-CD1 4.12Å
388V93.7Very high92.5Very high0 Ų015.3 Ų15.30%09%0.087CC..Hα-helixtrans-57.4-54.6174.2167.20000110.5A384 I385 A390 L391 A392 M420 L424 V580 V584 I675 M678A384-V388 VanDerWaalsContact O-CG2 3.24Å; A384-V388 WeakPolarHBondContact O-CG2 3.48Å; A384-V388 PolarHBondContact O-N 2.96Å; I385-V388 PolarHBondContact O-N 3.05Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.13Å; V388-L391 PolarHBondContact O-N 2.86Å; V388-A392 WeakPolarHBondContact O-CB 3.28Å; V388-A392 PolarHBondContact O-N 3.12Å; V388-M420 HydrophobicContact CG2-CE 3.71Å; V388-L424 HydrophobicContact CG2-CD1 4.04Å; V388-L424 HydrophobicContact CG2-CD2 4.29Å; V388-V580 HydrophobicContact CG1-CG1 3.83Å; V388-V580 HydrophobicContact CG2-CG1 4.07Å; V388-V584 HydrophobicContact CG1-CG2 4.13Å; V388-V584 HydrophobicContact CG2-CG2 4.27Å; V388-I675 HydrophobicContact CG1-CG1 3.93Å; V388-M678 HydrophobicContact CG1-SD 3.79Å; V388-M678 VanDerWaalsContact O-CE 3.24Å; V388-M678 WeakPolarHBondContact O-CE 3.22Å
389L95.2Very high92.6Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-60.7-41.8-179.5-178.460.3000111.9I385 A386 L391 A392 S393 I613 A614 L617 L671 H674I385-L389 WeakPolarHBondContact O-CB 3.33Å; I385-L389 PolarHBondContact O-N 2.9Å; A386-L389 PolarHBondContact O-N 3.35Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 PolarHBondContact O-N 2.84Å; L389-A392 PolarHBondContact O-N 3.12Å; L389-S393 PolarHBondContact O-N 3.24Å; L389-S393 PolarHBondContact O-OG 3.32Å; L389-I613 HydrophobicContact CB-CG2 4.17Å; L389-I613 HydrophobicContact CD2-CB 4.14Å; L389-I613 HydrophobicContact CD2-CG2 3.79Å; L389-I613 HydrophobicContact CG-CB 4.46Å; L389-I613 HydrophobicContact CG-CG2 3.67Å; L389-A614 HydrophobicContact CD2-CB 4.28Å; L389-L617 HydrophobicContact CD1-CD1 4.03Å; L389-L617 HydrophobicContact CD2-CD1 4.28Å; L389-L617 HydrophobicContact CG-CD1 4.02Å; L389-L671 HydrophobicContact CB-CD2 4.15Å; L389-L671 HydrophobicContact CD1-CD2 4.24Å; L389-L671 HydrophobicContact CD2-CD2 3.93Å; L389-L671 HydrophobicContact CG-CD2 4.32Å; L389-H674 HydrophobicContact CD1-CB 3.76Å
390A95.1Very high93Very high1 Ų118.6 Ų18.61%0.00810%0.101CC..Hα-helixtrans-62.8-40.2-179.900000112.7I373 L375 A386 I387 V388 L396 V398 I613I373-A390 HydrophobicContact CD1-CB 4.28Å; L375-A390 HydrophobicContact CD1-CB 3.86Å; A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.28Å; A386-A390 PolarHBondContact O-N 3.4Å; I387-A390 PolarHBondContact O-N 2.9Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.13Å; A390-L396 HydrophobicContact CB-CD1 4.46Å; A390-V398 HydrophobicContact CB-CG2 4.2Å; A390-I613 HydrophobicContact CB-CD1 3.88Å; A390-I613 HydrophobicContact CB-CG1 4.13Å; A390-I613 HydrophobicContact CB-CG2 4.19Å
391L92.4Very high93.4Very high22 Ų2218.6 Ų18.612%0.11510%0.101CC..Hα-helixtrans-83.2-14.5180-65171.8000113.4I387 V388 L389 S393 V398 L421 L424 R426 I429 M678I387-L391 HydrophobicContact CG2-CD1 3.73Å; I387-L391 WeakPolarHBondContact O-CB 3.29Å; I387-L391 VanDerWaalsContact O-CG 3.31Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.45Å; V388-L391 PolarHBondContact O-N 2.86Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 PolarHBondContact O-N 2.84Å; L391-S393 VanDerWaalsContact C-N 3.33Å; L391-V398 HydrophobicContact CD2-CB 3.82Å; L391-V398 HydrophobicContact CD2-CG1 4.22Å; L391-V398 HydrophobicContact CD2-CG2 3.64Å; L391-V398 HydrophobicContact CG-CG2 4.4Å; L391-L421 HydrophobicContact CD1-CD2 3.55Å; L391-L424 HydrophobicContact CB-CD1 4.42Å; L391-L424 HydrophobicContact CD1-CD1 3.63Å; L391-R426 HydrophobicContact CD1-CB 4.42Å; L391-R426 HydrophobicContact CD1-CG 4.34Å; L391-R426 HydrophobicContact CD2-CG 4.39Å; L391-I429 HydrophobicContact CD1-CD1 4.44Å; L391-I429 HydrophobicContact CD2-CD1 3.28Å; L391-M678 HydrophobicContact CB-CE 3.65Å
392A89.6Confident93.8Very high10 Ų1018.6 Ų18.68%0.08310%0.101CC..Hα-helixtrans-84.9-13177.300000112.6V388 L389 P394 H674 M678V388-A392 WeakPolarHBondContact O-CB 3.28Å; V388-A392 PolarHBondContact O-N 3.12Å; L389-A392 PolarHBondContact O-N 3.12Å; A392-P394 WeakPolarHBondContact O-CD 3.46Å; A392-H674 HydrophobicContact CB-CB 3.77Å; A392-M678 HydrophobicContact CB-CE 3.9Å; A392-M678 HydrophobicContact CB-CG 3.44Å; A392-M678 VanDerWaalsContact CB-CG 3.44Å; A392-M678 HydrophobicContact CB-SD 3.82Å
393S91.8Very high94Very high3 Ų318.3 Ų18.32%0.02110%0.1CC..  trans-103.5105.5-170.3-540000110.8L389 L391 E395 L396 L617 H674L389-S393 PolarHBondContact O-N 3.24Å; L389-S393 PolarHBondContact O-OG 3.32Å; L391-S393 VanDerWaalsContact C-N 3.33Å; S393-E395 PolarHBondContact O-N 3.42Å; S393-L396 PolarHBondContact O-N 2.85Å; S393-L617 VanDerWaalsContact OG-CD1 3.24Å; S393-L617 WeakPolarHBondContact OG-CD1 3.46Å; S393-H674 PolarHBondContact OG-CD2 2.9Å
394P85.5Confident93.9Very high107 Ų10718.4 Ų18.470%0.69510%0.101SC*.THydrogen-bonded Turntrans-63.8-10.7176.828.5-36.2000113.2A370 A392 L396A370-P394 WeakPolarHBondContact CB-O 3.39Å; A392-P394 WeakPolarHBondContact O-CD 3.46Å; P394-L396 VanDerWaalsContact C-N 3.26Å
395E91.3Very high93.6Very high87 Ų8718.6 Ų18.641%0.40710%0.102SC..THydrogen-bonded Turntrans-73.5-10.3170.1-58.583.5174.400113.7A370 L371 S393 L617 H674A370-E395 CarbonylContact C-O 3.41Å; A370-E395 VanDerWaalsContact CA-O 3.32Å; A370-E395 WeakPolarHBondContact CA-O 3.21Å; L371-E395 PolarHBondContact N-O 3.16Å; S393-E395 PolarHBondContact O-N 3.42Å; E395-L617 HydrophobicContact CB-CD2 3.94Å; E395-H674 IonicContact OE2-NE2 2.95Å
396L93.6Very high93.3Very high15 Ų1518.5 Ų18.58%0.07910%0.101CC..EExtended strand (participates in β ladder)trans-121.8136.7-178.4-55.5179.4000112.1L371 I373 A390 S393 P394 I613 L616 L617L371-L396 HydrophobicContact CB-CD2 4.05Å; L371-L396 HydrophobicContact CD2-CD2 4.12Å; I373-L396 HydrophobicContact CD1-CB 4.17Å; I373-L396 HydrophobicContact CD1-CD1 3.94Å; I373-L396 HydrophobicContact CD1-CG 4.48Å; I373-L396 HydrophobicContact CG2-CD2 4.26Å; A390-L396 HydrophobicContact CB-CD1 4.46Å; S393-L396 PolarHBondContact O-N 2.85Å; P394-L396 VanDerWaalsContact C-N 3.26Å; L396-I613 HydrophobicContact CD1-CG2 3.77Å; L396-L616 HydrophobicContact CD2-CB 4.34Å; L396-L617 HydrophobicContact CD1-CD2 3.89Å; L396-L617 HydrophobicContact CD1-CG 4.24Å; L396-L617 HydrophobicContact CD2-CD2 4.18Å; L396-L617 HydrophobicContact CG-CD2 3.78Å
397D94Very high93Very high57 Ų5718.9 Ų18.931%0.30510%0.103SC..EExtended strand (participates in β ladder)trans-113.490.6179.7-178.5-16.3000108.3A370 L371 P372 I373 K399A370-D397 HydrophobicContact CB-CB 3.72Å; L371-D397 PolarHBondContact O-N 3.19Å; P372-D397 WeakPolarHBondContact CA-O 3.47Å; I373-D397 PolarHBondContact N-O 2.82Å; D397-K399 VanDerWaalsContact CG-CE 3.41Å; D397-K399 PolarHBondContact O-N 2.95Å; D397-K399 WeakPolarHBondContact OD1-CD 3.38Å; D397-K399 WeakPolarHBondContact OD1-CE 3.28Å; D397-K399 IonicContact OD1-NZ 3.64Å; D397-K399 PolarHBondContact OD1-NZ 2.87Å; D397-K399 VanDerWaalsContact OD2-CE 3.25Å; D397-K399 WeakPolarHBondContact OD2-CE 3.19Å; D397-K399 IonicContact OD2-NZ 2.7Å; D397-K399 PolarHBondContact OD2-NZ 2.83Å
398V95.9Very high92.9Very high9 Ų919 Ų196%0.05510%0.104CC..EExtended strand (participates in β ladder)trans-7296-178.3-176.30000109.7I373 L375 A390 L391 I401 I429I373-V398 HydrophobicContact CD1-CG2 3.96Å; I373-V398 HydrophobicContact CG1-CB 4.44Å; I373-V398 HydrophobicContact CG1-CG2 3.91Å; L375-V398 HydrophobicContact CD1-CG1 4.22Å; L375-V398 HydrophobicContact CD1-CG2 4.5Å; A390-V398 HydrophobicContact CB-CG2 4.2Å; L391-V398 HydrophobicContact CD2-CB 3.82Å; L391-V398 HydrophobicContact CD2-CG1 4.22Å; L391-V398 HydrophobicContact CD2-CG2 3.64Å; L391-V398 HydrophobicContact CG-CG2 4.4Å; V398-I401 HydrophobicContact CG1-CD1 4.23Å; V398-I401 HydrophobicContact CG1-CG1 3.89Å; V398-I429 HydrophobicContact CB-CD1 4.07Å; V398-I429 HydrophobicContact CG1-CD1 4.02Å; V398-I429 HydrophobicContact CG1-CG2 4.23Å
399K96.1Very high92.8Very high69 Ų6920.8 Ų20.830%0.312%0.115SC..EExtended strand (participates in β ladder)trans-73.4-32.8-175.5-66.8-60-178.2-156.30114.3P372 I373 D397 P430 T479P372-K399 HydrophobicContact CB-CG 4.14Å; I373-K399 PolarHBondContact O-N 2.9Å; D397-K399 VanDerWaalsContact CG-CE 3.41Å; D397-K399 PolarHBondContact O-N 2.95Å; D397-K399 WeakPolarHBondContact OD1-CD 3.38Å; D397-K399 WeakPolarHBondContact OD1-CE 3.28Å; D397-K399 IonicContact OD1-NZ 3.64Å; D397-K399 PolarHBondContact OD1-NZ 2.87Å; D397-K399 VanDerWaalsContact OD2-CE 3.25Å; D397-K399 WeakPolarHBondContact OD2-CE 3.19Å; D397-K399 IonicContact OD2-NZ 2.7Å; D397-K399 PolarHBondContact OD2-NZ 2.83Å; K399-P430 WeakPolarHBondContact O-CD 3.36Å; K399-P430 VanDerWaalsContact O-CG 3.29Å; K399-P430 WeakPolarHBondContact O-CG 3.3Å; K399-T479 HydrophobicContact CB-CG2 3.46Å; K399-T479 VanDerWaalsContact CB-CG2 3.46Å; K399-T479 HydrophobicContact CG-CG2 4.26Å
400A97.5Very high92.6Very high0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-164.2157.4-179.600000109.9L374 L375 P430 L475 T479L374-A400 HydrophobicContact CD1-CB 3.97Å; L374-A400 HydrophobicContact CG-CB 4.17Å; L375-A400 PolarHBondContact N-O 3.43Å; L375-A400 VanDerWaalsContact N-O 3.17Å; A400-P430 WeakPolarHBondContact CA-O 3.19Å; A400-P430 HydrophobicContact CB-CG 4.03Å; A400-L475 HydrophobicContact CB-CD1 4.44Å; A400-L475 HydrophobicContact CB-CD2 4.09Å; A400-L475 HydrophobicContact CB-CG 4.1Å; A400-T479 HydrophobicContact CB-CG2 4.39Å
401I97.7Very high92.4Very high0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans-124130.4167.2-51.4-171.4000109.2L375 C377 I387 V398 V417 L421 I429 P430 V431 A432L375-I401 HydrophobicContact CB-CB 4.5Å; L375-I401 HydrophobicContact CB-CG1 4.18Å; L375-I401 HydrophobicContact CB-CG2 4.11Å; L375-I401 HydrophobicContact CD1-CD1 4.38Å; L375-I401 CarbonylContact O-C 3.53Å; L375-I401 WeakPolarHBondContact O-CA 3.47Å; C377-I401 VanDerWaalsContact SG-CG2 3.58Å; I387-I401 HydrophobicContact CG2-CD1 4.37Å; V398-I401 HydrophobicContact CG1-CD1 4.23Å; V398-I401 HydrophobicContact CG1-CG1 3.89Å; I401-V417 HydrophobicContact CB-CG1 4.02Å; I401-V417 HydrophobicContact CD1-CG1 4.43Å; I401-V417 HydrophobicContact CG2-CG1 3.66Å; I401-V417 HydrophobicContact CG2-CG2 4.13Å; I401-L421 HydrophobicContact CD1-CD1 4.17Å; I401-L421 HydrophobicContact CD1-CD2 4.01Å; I401-L421 HydrophobicContact CD1-CG 4.35Å; I401-I429 HydrophobicContact CG1-CG2 4.06Å; I401-P430 PolarHBondContact N-O 2.92Å; I401-P430 VanDerWaalsContact N-O 3.07Å; I401-V431 VanDerWaalsContact O-CA 3.25Å; I401-V431 WeakPolarHBondContact O-CA 3.16Å; I401-A432 PolarHBondContact O-N 3.25Å
402T97.2Very high92.4Very high0 Ų029.8 Ų29.80%016%0.157CC..EExtended strand (participates in β ladder)trans-114145.9171.6490000110.7L375 D376 C377 A432 A472 L475 M476L375-T402 PolarHBondContact O-N 2.76Å; L375-T402 PolarHBondContact O-OG1 3.19Å; D376-T402 WeakPolarHBondContact CA-O 3.39Å; D376-T402 WeakPolarHBondContact OD1-CB 3.34Å; D376-T402 PolarHBondContact OD1-OG1 3.24Å; C377-T402 PolarHBondContact N-O 3.23Å; T402-A432 WeakPolarHBondContact CA-O 3.31Å; T402-A432 HydrophobicContact CG2-CB 4.47Å; T402-A472 HydrophobicContact CG2-CB 3.58Å; T402-L475 HydrophobicContact CG2-CB 4.44Å; T402-L475 HydrophobicContact CG2-CD2 4.18Å; T402-M476 HydrophobicContact CG2-CG 4.03Å
403S94.8Very high92.5Very high1 Ų129.3 Ų29.31%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-101133.5176.475.60000111.9C377 L414 A432 G434 N497C377-S403 CarbonylContact O-C 3.56Å; C377-S403 WeakPolarHBondContact O-CA 3.46Å; S403-L414 WeakPolarHBondContact OG-CB 3.41Å; S403-A432 PolarHBondContact N-O 2.86Å; S403-G434 WeakPolarHBondContact O-CA 3.45Å; S403-G434 PolarHBondContact O-N 3.32Å; S403-N497 PolarHBondContact O-ND2 2.83Å; S403-N497 VanDerWaalsContact O-ND2 3.12Å
404S91.1Very high92.7Very high2 Ų230.8 Ų30.81%0.01416%0.161CC..  trans-99.2175.8167.3-161.70000110.3C377 T413 P494C377-S404 PolarHBondContact O-N 2.86Å; S404-T413 WeakPolarHBondContact O-CB 3.48Å; S404-T413 PolarHBondContact O-OG1 2.88Å; S404-P494 PolarHBondContact OG-O 2.76Å
405A87.7Confident93.1Very high3 Ų330.8 Ų30.83%0.02515%0.147CC..SBendtrans-110.5125.3174.700000109P410 L443A405-P410 HydrophobicContact CB-CG 3.87Å; A405-L443 HydrophobicContact CB-CD1 3.64Å; A405-L443 HydrophobicContact CB-CD2 4.18Å
406G87.9Confident93.2Very high0 Ų026.7 Ų26.70%013%0.128CC..SBendtrans-171.7-92.2-174.500000109.9D378 Q408 I445D378-G406 WeakPolarHBondContact OD2-CA 3.42Å; G406-Q408 PolarHBondContact O-N 3.38Å; G406-Q408 VanDerWaalsContact O-N 3.07Å; G406-I445 WeakPolarHBondContact O-CA 3.49Å; G406-I445 WeakPolarHBondContact O-CB 3.25Å; G406-I445 WeakPolarHBondContact O-CG2 3.5Å
407N89.9Confident93.3Very high10 Ų1026 Ų265%0.05312%0.124CC..SBendtrans-52.9-36.2-178.2-64.5-36.6000113.5D378 D383 A446 H450D378-N407 WeakPolarHBondContact O-CB 3.38Å; D378-N407 PolarHBondContact O-ND2 3.38Å; D378-N407 VanDerWaalsContact O-ND2 3.16Å; D378-N407 PolarHBondContact OD2-N 3.11Å; D378-N407 PolarHBondContact OD2-ND2 3.42Å; D383-N407 PolarHBondContact OD2-ND2 3.23Å; D383-N407 VanDerWaalsContact OD2-ND2 3.16Å; N407-A446 CarbonylContact O-C 3.59Å; N407-A446 PolarHBondContact O-N 2.65Å; N407-H450 PolarHBondContact OD1-NE2 2.54Å
408Q92.3Very high93.4Very high2 Ų223.8 Ų23.81%0.00911%0.112CC..SBendtrans-141.1179.2172.8-89.9-63.7-17.900112.6G406 K412 T413 G451 E452G406-Q408 PolarHBondContact O-N 3.38Å; G406-Q408 VanDerWaalsContact O-N 3.07Å; Q408-K412 HydrophobicContact CB-CB 3.91Å; Q408-K412 HydrophobicContact CB-CD 4.06Å; Q408-K412 HydrophobicContact CG-CD 4.02Å; Q408-T413 HydrophobicContact CB-CG2 4.12Å; Q408-T413 WeakPolarHBondContact O-CG2 3.35Å; Q408-G451 PolarHBondContact NE2-O 2.96Å; Q408-E452 PolarHBondContact NE2-O 3.15Å
409T91.5Very high93.3Very high39 Ų3924.8 Ų24.824%0.23912%0.115CC..  trans-62.6154.9177.283.10000112.3E411 K412 T413 I445T409-E411 VanDerWaalsContact CB-OE2 3.28Å; T409-E411 WeakPolarHBondContact CB-OE2 3.22Å; T409-E411 PolarHBondContact O-N 3.06Å; T409-E411 VanDerWaalsContact O-N 3.11Å; T409-E411 PolarHBondContact OG1-OE2 3.41Å; T409-K412 PolarHBondContact O-N 3.45Å; T409-T413 PolarHBondContact O-N 2.93Å; T409-I445 HydrophobicContact CG2-CD1 4.39Å
410P90.8Very high93.2Very high21 Ų2121.5 Ų21.514%0.13610%0.101CC..Hα-helixtrans-55.8-33.4-175.3-21.229.3000114.1A405 T413 L414 V436A405-P410 HydrophobicContact CB-CG 3.87Å; P410-T413 PolarHBondContact O-OG1 3.06Å; P410-L414 VanDerWaalsContact O-CB 3.22Å; P410-L414 WeakPolarHBondContact O-CB 3.35Å; P410-L414 PolarHBondContact O-N 3.13Å; P410-L414 VanDerWaalsContact O-N 3.16Å; P410-V436 HydrophobicContact CB-CG1 4.2Å; P410-V436 HydrophobicContact CG-CB 4.05Å; P410-V436 HydrophobicContact CG-CG1 4.07Å
411E91.2Very high93Very high128 Ų12821.5 Ų21.560%0.59810%0.101SC*.Hα-helixtrans-70.6-35.5178.8-53.177.1-168.800111.8T409 R415T409-E411 VanDerWaalsContact CB-OE2 3.28Å; T409-E411 WeakPolarHBondContact CB-OE2 3.22Å; T409-E411 PolarHBondContact O-N 3.06Å; T409-E411 VanDerWaalsContact O-N 3.11Å; T409-E411 PolarHBondContact OG1-OE2 3.41Å; E411-R415 VanDerWaalsContact O-CB 3.23Å; E411-R415 WeakPolarHBondContact O-CB 3.42Å; E411-R415 PolarHBondContact O-N 3.06Å; E411-R415 VanDerWaalsContact O-N 3.09Å
412K92.4Very high92.6Very high62 Ų6222.8 Ų22.827%0.2711%0.108SC..Hα-helixtrans-77.8-45.1178.9-70.9176.7-178.7-177.50111.4Q408 T409 L414 R415 N416 E452Q408-K412 HydrophobicContact CB-CB 3.91Å; Q408-K412 HydrophobicContact CB-CD 4.06Å; Q408-K412 HydrophobicContact CG-CD 4.02Å; T409-K412 PolarHBondContact O-N 3.45Å; K412-L414 VanDerWaalsContact C-N 3.33Å; K412-L414 PolarHBondContact O-N 3.37Å; K412-R415 PolarHBondContact O-N 3.19Å; K412-N416 WeakPolarHBondContact O-CB 3.1Å; K412-N416 PolarHBondContact O-N 3.03Å; K412-N416 PolarHBondContact O-OD1 3.31Å; K412-E452 WeakPolarHBondContact CE-O 3.45Å; K412-E452 PolarHBondContact NZ-O 2.72Å
413T93.2Very high92.2Very high0 Ų024.4 Ų24.40%012%0.117CC..Hα-helixtrans-60.7-44.4177.359.10000110.6D378 S404 Q408 T409 P410 R415 N416 V417D378-T413 HydrophobicContact CB-CG2 4.08Å; S404-T413 WeakPolarHBondContact O-CB 3.48Å; S404-T413 PolarHBondContact O-OG1 2.88Å; Q408-T413 HydrophobicContact CB-CG2 4.12Å; Q408-T413 WeakPolarHBondContact O-CG2 3.35Å; T409-T413 PolarHBondContact O-N 2.93Å; P410-T413 PolarHBondContact O-OG1 3.06Å; T413-R415 PolarHBondContact O-N 2.9Å; T413-N416 PolarHBondContact O-N 2.89Å; T413-V417 PolarHBondContact O-N 2.78Å; T413-V417 VanDerWaalsContact O-N 3.11Å
414L94.7Very high91.8Very high35 Ų3525.4 Ų25.418%0.18312%0.122CC..Hα-helixtrans-60-45.8172.8-178.758.7000112.8S403 P410 K412 N416 V417 L418 V431 P467S403-L414 WeakPolarHBondContact OG-CB 3.41Å; P410-L414 VanDerWaalsContact O-CB 3.22Å; P410-L414 WeakPolarHBondContact O-CB 3.35Å; P410-L414 PolarHBondContact O-N 3.13Å; P410-L414 VanDerWaalsContact O-N 3.16Å; K412-L414 VanDerWaalsContact C-N 3.33Å; K412-L414 PolarHBondContact O-N 3.37Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.16Å; L414-V417 PolarHBondContact O-N 3.36Å; L414-L418 WeakPolarHBondContact O-CG 3.38Å; L414-L418 PolarHBondContact O-N 2.98Å; L414-V431 HydrophobicContact CD1-CG1 3.72Å; L414-P467 HydrophobicContact CD1-CB 4.16Å; L414-P467 HydrophobicContact CD2-CG 4.26Å
415R94.4Very high91.5Very high106 Ų10631.6 Ų31.640%0.416%0.155SC..Hα-helixtrans-60.1-40.8176.4-179.7-179.6176.690.5-3.1111.3E411 K412 T413 L418 R419 E462 P463E411-R415 VanDerWaalsContact O-CB 3.23Å; E411-R415 WeakPolarHBondContact O-CB 3.42Å; E411-R415 PolarHBondContact O-N 3.06Å; E411-R415 VanDerWaalsContact O-N 3.09Å; K412-R415 PolarHBondContact O-N 3.19Å; T413-R415 PolarHBondContact O-N 2.9Å; R415-L418 PolarHBondContact O-N 2.68Å; R415-R419 HydrophobicContact CG-CG 4.43Å; R415-R419 WeakPolarHBondContact O-CG 3.43Å; R415-R419 PolarHBondContact O-N 3.36Å; R415-E462 IonicContact CZ-OE1 3.91Å; R415-E462 IonicContact CZ-OE2 3.74Å; R415-E462 IonicContact NH1-OE2 2.7Å; R415-E462 IonicContact NH2-OE1 2.81Å; R415-E462 PolarHBondContact NH2-OE1 3.07Å; R415-E462 IonicContact NH2-OE2 3.38Å; R415-E462 PolarHBondContact NH2-OE2 2.91Å; R415-P463 HydrophobicContact CG-CG 4.29Å
416N94.2Very high91.5Very high2 Ų235.3 Ų35.31%0.01117%0.168CC..Hα-helixtrans-66.3-41.2-178.8-72.7-7.1000112.1P379 K412 T413 L414 L418 R419 M420 S453 L455P379-N416 HydrophobicContact CB-CB 3.84Å; P379-N416 HydrophobicContact CG-CB 4.48Å; P379-N416 PolarHBondContact O-ND2 2.86Å; K412-N416 WeakPolarHBondContact O-CB 3.1Å; K412-N416 PolarHBondContact O-N 3.03Å; K412-N416 PolarHBondContact O-OD1 3.31Å; T413-N416 PolarHBondContact O-N 2.89Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.16Å; N416-L418 VanDerWaalsContact C-N 3.3Å; N416-L418 PolarHBondContact O-N 3.49Å; N416-R419 PolarHBondContact O-N 2.79Å; N416-M420 WeakPolarHBondContact O-CG 2.93Å; N416-M420 PolarHBondContact O-N 3.46Å; N416-S453 PolarHBondContact ND2-O 2.92Å; N416-L455 HydrophobicContact CB-CD1 3.63Å; N416-L455 HydrophobicContact CB-CG 4.27Å
417V95.2Very high91.5Very high0 Ų038.4 Ų38.40%019%0.188CC..Hα-helixtrans-53.1-49.1169.9178.60000110.8P379 I401 T413 L414 R419 M420 L421 V431P379-V417 HydrophobicContact CG-CG2 3.56Å; I401-V417 HydrophobicContact CB-CG1 4.02Å; I401-V417 HydrophobicContact CD1-CG1 4.43Å; I401-V417 HydrophobicContact CG2-CG1 3.66Å; I401-V417 HydrophobicContact CG2-CG2 4.13Å; T413-V417 PolarHBondContact O-N 2.78Å; T413-V417 VanDerWaalsContact O-N 3.11Å; L414-V417 PolarHBondContact O-N 3.36Å; V417-R419 PolarHBondContact O-N 3.47Å; V417-M420 PolarHBondContact O-N 2.91Å; V417-L421 HydrophobicContact CG1-CD1 3.88Å; V417-L421 HydrophobicContact CG1-CG 4.42Å; V417-L421 WeakPolarHBondContact O-CG 3.48Å; V417-L421 PolarHBondContact O-N 3.42Å; V417-V431 HydrophobicContact CB-CG1 4.22Å; V417-V431 HydrophobicContact CG1-CB 4.48Å; V417-V431 HydrophobicContact CG1-CG1 3.7Å; V417-V431 HydrophobicContact CG1-CG2 3.86Å
418L95.8Very high91.5Very high11 Ų1142.8 Ų42.86%0.05821%0.211CC..Hα-helixtrans-66.6-35-177.5-61.2167000112.6L414 R415 N416 T422 V431 P463 F465 P467L414-L418 WeakPolarHBondContact O-CG 3.38Å; L414-L418 PolarHBondContact O-N 2.98Å; R415-L418 PolarHBondContact O-N 2.68Å; N416-L418 VanDerWaalsContact C-N 3.3Å; N416-L418 PolarHBondContact O-N 3.49Å; L418-T422 VanDerWaalsContact O-CB 3.3Å; L418-T422 WeakPolarHBondContact O-CB 3.22Å; L418-T422 PolarHBondContact O-N 3.44Å; L418-T422 PolarHBondContact O-OG1 3.45Å; L418-V431 HydrophobicContact CD2-CB 4.01Å; L418-V431 HydrophobicContact CD2-CG1 4.08Å; L418-V431 HydrophobicContact CD2-CG2 4.06Å; L418-P463 HydrophobicContact CB-CB 3.88Å; L418-P463 HydrophobicContact CB-CG 4.02Å; L418-F465 HydrophobicContact CD2-CD2 4.1Å; L418-F465 HydrophobicContact CD2-CE1 4.03Å; L418-F465 HydrophobicContact CD2-CE2 3.59Å; L418-F465 HydrophobicContact CD2-CZ 3.55Å; L418-P467 HydrophobicContact CD1-CB 4.5Å; L418-P467 HydrophobicContact CD1-CG 4.32Å; L418-P467 HydrophobicContact CD2-CB 4.48Å
419R93.8Very high91.6Very high30 Ų3042.8 Ų42.811%0.11321%0.211CC..Hα-helixtrans-66.7-43.8174.2-67177.480.6-1639.8111.5R415 N416 V417 T422 L423 L460 P461 P463R415-R419 HydrophobicContact CG-CG 4.43Å; R415-R419 WeakPolarHBondContact O-CG 3.43Å; R415-R419 PolarHBondContact O-N 3.36Å; N416-R419 PolarHBondContact O-N 2.79Å; V417-R419 PolarHBondContact O-N 3.47Å; R419-T422 PolarHBondContact O-N 3.15Å; R419-L423 PolarHBondContact O-N 2.68Å; R419-L460 PolarHBondContact NH2-O 2.92Å; R419-P461 VanDerWaalsContact CG-O 3.25Å; R419-P461 WeakPolarHBondContact CG-O 3.33Å; R419-P461 PolarHBondContact NE-O 2.67Å; R419-P463 HydrophobicContact CG-CG 3.91Å
420M93.5Very high91.8Very high0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-64.3-45.1176.6-68.2-52.5-6000111.9A384 I387 V388 N416 V417 T422 L423 L424 L455 L460A384-M420 HydrophobicContact CB-CE 3.86Å; A384-M420 HydrophobicContact CB-CG 4.09Å; A384-M420 HydrophobicContact CB-SD 3.84Å; I387-M420 HydrophobicContact CG2-CB 4.29Å; V388-M420 HydrophobicContact CG2-CE 3.71Å; N416-M420 WeakPolarHBondContact O-CG 2.93Å; N416-M420 PolarHBondContact O-N 3.46Å; V417-M420 PolarHBondContact O-N 2.91Å; M420-T422 VanDerWaalsContact C-N 3.28Å; M420-T422 PolarHBondContact O-N 2.86Å; M420-L423 HydrophobicContact CE-CD2 4.18Å; M420-L423 WeakPolarHBondContact O-CB 3.23Å; M420-L423 PolarHBondContact O-N 2.94Å; M420-L424 WeakPolarHBondContact O-CB 3.49Å; M420-L424 VanDerWaalsContact O-CG 3.27Å; M420-L424 WeakPolarHBondContact O-CG 3.15Å; M420-L424 PolarHBondContact O-N 3.28Å; M420-L455 HydrophobicContact CG-CD1 4.08Å; M420-L455 HydrophobicContact SD-CD1 4.09Å; M420-L460 HydrophobicContact SD-CD1 4.09Å; M420-L460 HydrophobicContact SD-CD2 3.85Å
421L92.8Very high92.1Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-66.9-29.1175.4-70.3175.1000113.2L391 I401 V417 N425 R426 I429 V431 F465L391-L421 HydrophobicContact CD1-CD2 3.55Å; I401-L421 HydrophobicContact CD1-CD1 4.17Å; I401-L421 HydrophobicContact CD1-CD2 4.01Å; I401-L421 HydrophobicContact CD1-CG 4.35Å; V417-L421 HydrophobicContact CG1-CD1 3.88Å; V417-L421 HydrophobicContact CG1-CG 4.42Å; V417-L421 WeakPolarHBondContact O-CG 3.48Å; V417-L421 PolarHBondContact O-N 3.42Å; L421-N425 PolarHBondContact O-N 3.35Å; L421-N425 VanDerWaalsContact O-N 3.14Å; L421-R426 HydrophobicContact CD2-CB 3.84Å; L421-R426 PolarHBondContact O-N 3.3Å; L421-I429 HydrophobicContact CD1-CB 4.41Å; L421-I429 HydrophobicContact CD2-CD1 4.04Å; L421-V431 HydrophobicContact CD1-CG2 3.31Å; L421-F465 HydrophobicContact CB-CE1 3.87Å; L421-F465 HydrophobicContact CB-CZ 3.83Å; L421-F465 HydrophobicContact CD1-CZ 3.84Å
422T90.3Very high92.4Very high26 Ų2635.4 Ų35.416%0.1618%0.175CC..Hα-helixtrans-69.6-43.7172.1-59.50000111.4L418 R419 M420 L424 N425 P461 A464L418-T422 VanDerWaalsContact O-CB 3.3Å; L418-T422 WeakPolarHBondContact O-CB 3.22Å; L418-T422 PolarHBondContact O-N 3.44Å; L418-T422 PolarHBondContact O-OG1 3.45Å; R419-T422 PolarHBondContact O-N 3.15Å; M420-T422 VanDerWaalsContact C-N 3.28Å; M420-T422 PolarHBondContact O-N 2.86Å; T422-L424 VanDerWaalsContact C-N 3.32Å; T422-L424 PolarHBondContact O-N 3.03Å; T422-N425 PolarHBondContact O-N 3.35Å; T422-P461 HydrophobicContact CG2-CB 4.14Å; T422-P461 HydrophobicContact CG2-CG 4.09Å; T422-A464 HydrophobicContact CG2-CB 3.58Å; T422-A464 PolarHBondContact OG1-N 3.24Å
423L88.2Confident92.5Very high34 Ų3433.6 Ų33.618%0.17817%0.173CC..Hα-helixtrans-58.6-44.6174.1171.364.3000111.7R419 M420 N425 L460 P461 I583R419-L423 PolarHBondContact O-N 2.68Å; M420-L423 HydrophobicContact CE-CD2 4.18Å; M420-L423 WeakPolarHBondContact O-CB 3.23Å; M420-L423 PolarHBondContact O-N 2.94Å; L423-N425 PolarHBondContact O-N 2.92Å; L423-L460 HydrophobicContact CD2-CD2 3.83Å; L423-P461 HydrophobicContact CB-CG 3.96Å; L423-I583 HydrophobicContact CD1-CD1 3.44Å; L423-I583 VanDerWaalsContact CD1-CD1 3.44Å; L423-I583 HydrophobicContact CD2-CB 4.26Å; L423-I583 HydrophobicContact CD2-CD1 3.62Å; L423-I583 HydrophobicContact CD2-CG2 3.82Å; L423-I583 HydrophobicContact CG-CD1 4.17Å
424L87Confident92.3Very high22 Ų2234.5 Ų34.512%0.11518%0.183CC..THydrogen-bonded Turntrans-82.93.4-176.7-62.7175.4000113.5I387 V388 L391 M420 T422 R426 V580 M678I387-L424 HydrophobicContact CG2-CD1 4.12Å; V388-L424 HydrophobicContact CG2-CD1 4.04Å; V388-L424 HydrophobicContact CG2-CD2 4.29Å; L391-L424 HydrophobicContact CB-CD1 4.42Å; L391-L424 HydrophobicContact CD1-CD1 3.63Å; M420-L424 WeakPolarHBondContact O-CB 3.49Å; M420-L424 VanDerWaalsContact O-CG 3.27Å; M420-L424 WeakPolarHBondContact O-CG 3.15Å; M420-L424 PolarHBondContact O-N 3.28Å; T422-L424 VanDerWaalsContact C-N 3.32Å; T422-L424 PolarHBondContact O-N 3.03Å; L424-R426 HydrophobicContact CB-CG 4.48Å; L424-R426 PolarHBondContact O-N 2.88Å; L424-V580 HydrophobicContact CD2-CB 4.4Å; L424-V580 HydrophobicContact CD2-CG1 3.75Å; L424-V580 HydrophobicContact CD2-CG2 3.67Å; L424-M678 HydrophobicContact CD1-CE 3.98Å; L424-M678 HydrophobicContact CD2-CE 3.51Å; L424-M678 HydrophobicContact CD2-SD 3.67Å; L424-M678 HydrophobicContact CG-CE 4.21Å
425N85.2Confident92Very high133 Ų13333.9 Ų33.971%0.71118%0.183SC*.THydrogen-bonded Turntrans53.231.5-176.9-161.939.5000114.4L421 T422 L423L421-N425 PolarHBondContact O-N 3.35Å; L421-N425 VanDerWaalsContact O-N 3.14Å; T422-N425 PolarHBondContact O-N 3.35Å; L423-N425 PolarHBondContact O-N 2.92Å
426R87.9Confident91.6Very high80 Ų8033.6 Ų33.630%0.30219%0.193SC..  trans-106.555.7-179.6-69.3-56.8-56.6-882.1112.1L391 L421 L424 D428 I429L391-R426 HydrophobicContact CD1-CB 4.42Å; L391-R426 HydrophobicContact CD1-CG 4.34Å; L391-R426 HydrophobicContact CD2-CG 4.39Å; L421-R426 HydrophobicContact CD2-CB 3.84Å; L421-R426 PolarHBondContact O-N 3.3Å; L424-R426 HydrophobicContact CB-CG 4.48Å; L424-R426 PolarHBondContact O-N 2.88Å; R426-D428 WeakPolarHBondContact CA-OD1 3.34Å; R426-D428 IonicContact CZ-OD1 2.98Å; R426-D428 IonicContact CZ-OD2 3.09Å; R426-D428 IonicContact NE-OD1 3.99Å; R426-D428 PolarHBondContact NE-OD1 3.25Å; R426-D428 IonicContact NE-OD2 3.94Å; R426-D428 PolarHBondContact NE-OD2 2.7Å; R426-D428 IonicContact NH2-OD1 3.78Å; R426-D428 IonicContact NH2-OD2 3.17Å; R426-D428 PolarHBondContact NH2-OD2 3.11Å; R426-D428 PolarHBondContact O-N 3.43Å; R426-I429 HydrophobicContact CB-CD1 3.97Å; R426-I429 HydrophobicContact CB-CG1 4.31Å; R426-I429 HydrophobicContact CG-CD1 4.49Å
427T87.6Confident91.4Very high66 Ų6637.8 Ų37.841%0.40521%0.211SC..THydrogen-bonded Turntrans-76.6-6.4178.665.70000113.4I429 F465T427-I429 VanDerWaalsContact C-N 3.33Å; T427-F465 HydrophobicContact CG2-CD1 3.58Å; T427-F465 HydrophobicContact CG2-CE1 3.92Å; T427-F465 HydrophobicContact CG2-CG 4.24Å
428D89.7Confident91.2Very high101 Ų10138 Ų3854%0.5421%0.212SC..THydrogen-bonded Turntrans-69.8-26.2172.361-62.7000113.2R426R426-D428 WeakPolarHBondContact CA-OD1 3.34Å; R426-D428 IonicContact CZ-OD1 2.98Å; R426-D428 IonicContact CZ-OD2 3.09Å; R426-D428 IonicContact NE-OD1 3.99Å; R426-D428 PolarHBondContact NE-OD1 3.25Å; R426-D428 IonicContact NE-OD2 3.94Å; R426-D428 PolarHBondContact NE-OD2 2.7Å; R426-D428 IonicContact NH2-OD1 3.78Å; R426-D428 IonicContact NH2-OD2 3.17Å; R426-D428 PolarHBondContact NH2-OD2 3.11Å; R426-D428 PolarHBondContact O-N 3.43Å
429I93.9Very high91Very high3 Ų340.1 Ų40.12%0.01522%0.223CC..SBendtrans-78.7124.5-174.6-57-179.1000110.1L391 V398 I401 L421 R426 T427 V431L391-I429 HydrophobicContact CD1-CD1 4.44Å; L391-I429 HydrophobicContact CD2-CD1 3.28Å; V398-I429 HydrophobicContact CB-CD1 4.07Å; V398-I429 HydrophobicContact CG1-CD1 4.02Å; V398-I429 HydrophobicContact CG1-CG2 4.23Å; I401-I429 HydrophobicContact CG1-CG2 4.06Å; L421-I429 HydrophobicContact CD1-CB 4.41Å; L421-I429 HydrophobicContact CD2-CD1 4.04Å; R426-I429 HydrophobicContact CB-CD1 3.97Å; R426-I429 HydrophobicContact CB-CG1 4.31Å; R426-I429 HydrophobicContact CG-CD1 4.49Å; T427-I429 VanDerWaalsContact C-N 3.33Å; I429-V431 PolarHBondContact O-N 3.2Å
430P96.6Very high90.9Very high32 Ų3245.5 Ų45.521%0.20825%0.252CS..  trans-70.3132.5178.229-34.1000111.3K399 A400 I401 Q468 L475K399-P430 WeakPolarHBondContact O-CD 3.36Å; K399-P430 VanDerWaalsContact O-CG 3.29Å; K399-P430 WeakPolarHBondContact O-CG 3.3Å; A400-P430 WeakPolarHBondContact CA-O 3.19Å; A400-P430 HydrophobicContact CB-CG 4.03Å; I401-P430 PolarHBondContact N-O 2.92Å; I401-P430 VanDerWaalsContact N-O 3.07Å; P430-Q468 HydrophobicContact CB-CG 3.77Å; P430-L475 HydrophobicContact CB-CD1 3.93Å; P430-L475 HydrophobicContact CB-CD2 4.23Å; P430-L475 HydrophobicContact CG-CD1 4.18Å
431V97.4Very high90.5Very high1 Ų147.6 Ų47.61%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-118.2138.3179.1-177.50000111I401 L414 V417 L418 L421 I429 F465 P467 Q468I401-V431 VanDerWaalsContact O-CA 3.25Å; I401-V431 WeakPolarHBondContact O-CA 3.16Å; L414-V431 HydrophobicContact CD1-CG1 3.72Å; V417-V431 HydrophobicContact CB-CG1 4.22Å; V417-V431 HydrophobicContact CG1-CB 4.48Å; V417-V431 HydrophobicContact CG1-CG1 3.7Å; V417-V431 HydrophobicContact CG1-CG2 3.86Å; L418-V431 HydrophobicContact CD2-CB 4.01Å; L418-V431 HydrophobicContact CD2-CG1 4.08Å; L418-V431 HydrophobicContact CD2-CG2 4.06Å; L421-V431 HydrophobicContact CD1-CG2 3.31Å; I429-V431 PolarHBondContact O-N 3.2Å; V431-F465 HydrophobicContact CG2-CE2 4.08Å; V431-F465 HydrophobicContact CG2-CZ 4.12Å; V431-P467 WeakPolarHBondContact O-CB 3.43Å; V431-Q468 WeakPolarHBondContact O-CB 3.43Å; V431-Q468 WeakPolarHBondContact O-CG 3.42Å; V431-Q468 PolarHBondContact O-N 3.38Å
432A96.9Very high90.3Very high0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-140.6145.417100000113.1I401 T402 S403 L475I401-A432 PolarHBondContact O-N 3.25Å; T402-A432 WeakPolarHBondContact CA-O 3.31Å; T402-A432 HydrophobicContact CG2-CB 4.47Å; S403-A432 PolarHBondContact N-O 2.86Å; A432-L475 HydrophobicContact CB-CB 3.81Å; A432-L475 HydrophobicContact CB-CD2 3.54Å; A432-L475 HydrophobicContact CB-CG 4.32Å
433G94.2Very high90.2Very high23 Ų2355.5 Ų55.524%0.23730%0.296CS..EExtended strand (participates in β ladder)trans-79.5138.2175.800000112.4A472G433-A472 PolarHBondContact O-N 3.47Å
434G89.8Confident90.3Very high20 Ų2056 Ų5621%0.20630%0.298CS..  trans-98.2-153.5-176.400000116S403 V436 N497S403-G434 WeakPolarHBondContact O-CA 3.45Å; S403-G434 PolarHBondContact O-N 3.32Å; G434-V436 PolarHBondContact O-N 2.91Å; G434-N497 VanDerWaalsContact CA-OD1 3.24Å; G434-N497 WeakPolarHBondContact CA-OD1 3.29Å
435A87.4Confident90.4Very high21 Ų2157 Ų5717%0.17430%0.304CS..  trans-62.8124-177.200000111.4K437 T496 N497 L500A435-K437 PolarHBondContact O-N 3.47Å; A435-T496 HydrophobicContact CB-CG2 3.52Å; A435-N497 PolarHBondContact N-OD1 2.82Å; A435-L500 HydrophobicContact CB-CD1 3.89Å
436V86.5Confident90.3Very high101 Ų10150.9 Ų50.961%0.61227%0.271SS*.SBendtrans-69.7-10179.9-69.80000114.3P410 G434P410-V436 HydrophobicContact CB-CG1 4.2Å; P410-V436 HydrophobicContact CG-CB 4.05Å; P410-V436 HydrophobicContact CG-CG1 4.07Å; G434-V436 PolarHBondContact O-N 2.91Å
437K89.1Confident89.9Confident90 Ų9051.2 Ų51.239%0.39128%0.279SS..SBendtrans-160.5164.2174.569.8169.2-167.2159.90112.1A435 E442 L443A435-K437 PolarHBondContact O-N 3.47Å; K437-E442 IonicContact NZ-OE1 2.76Å; K437-E442 PolarHBondContact NZ-OE1 3.49Å; K437-L443 HydrophobicContact CB-CB 4.25Å
438P91.3Very high89.6Confident4 Ų452.4 Ų52.43%0.02628%0.283CS..  trans-56.6159.9172.3-27.637.8000114.3M440 R441 V537 D538P438-M440 PolarHBondContact O-N 3.14Å; P438-R441 HydrophobicContact CB-CB 4.16Å; P438-V537 WeakPolarHBondContact CB-O 3.43Å; P438-V537 HydrophobicContact CG-CG1 3.71Å; P438-V537 VanDerWaalsContact CG-O 3.27Å; P438-V537 WeakPolarHBondContact CG-O 3.25Å; P438-D538 WeakPolarHBondContact CA-OD2 3.41Å; P438-D538 HydrophobicContact CB-CB 3.94Å; P438-D538 WeakPolarHBondContact CB-OD2 3.32Å
439L92.2Very high89.1Confident56 Ų5648.7 Ų48.729%0.29326%0.264SS..SBendtrans-56.2-46-179.8-67.6-179.6000112.8T496 A499 L500 D538 A541 I544L439-T496 HydrophobicContact CD2-CG2 4.36Å; L439-T496 HydrophobicContact CG-CG2 4.35Å; L439-A499 HydrophobicContact CD1-CB 4.18Å; L439-L500 HydrophobicContact CD2-CD2 3.63Å; L439-L500 HydrophobicContact CD2-CG 3.91Å; L439-D538 WeakPolarHBondContact CG-OD2 3.36Å; L439-D538 PolarHBondContact N-OD2 2.89Å; L439-A541 HydrophobicContact CD1-CB 3.87Å; L439-A541 HydrophobicContact CG-CB 4.37Å; L439-I544 HydrophobicContact CD1-CD1 3.71Å
440M90.7Very high88.4Confident143 Ų14349 Ų4970%0.70427%0.265SS*.SBendtrans-127-0.2-169.4-66-63.7-71.500114.4P438 E540P438-M440 PolarHBondContact O-N 3.14Å; M440-E540 HydrophobicContact CB-CG 4.18Å; M440-E540 HydrophobicContact CG-CB 4.33Å; M440-E540 HydrophobicContact CG-CG 3.94Å
441R85.7Confident87.7Confident44 Ų4448.2 Ų48.217%0.16626%0.262CS..SBendtrans-124.3165.1-177.4-52.2-174.691.7-156.85.2111.1P438 Y536 Q639P438-R441 HydrophobicContact CB-CB 4.16Å; R441-Y536 VanDerWaalsContact NH1-CE1 3.31Å; R441-Y536 VanDerWaalsContact NH1-CZ 3.33Å; R441-Y536 PolarHBondContact NH1-O 2.87Å; R441-Y536 PolarHBondContact NH2-OH 3.34Å; R441-Q639 VanDerWaalsContact CZ-OE1 3.32Å
442E88.9Confident87Confident137 Ų13755.7 Ų55.764%0.6430%0.298SS*.  trans-77.8152.5164.3-68.6-56.9128.900109.5K437 I444K437-E442 IonicContact NZ-OE1 2.76Å; K437-E442 PolarHBondContact NZ-OE1 3.49Å; E442-I444 PolarHBondContact O-N 2.99Å
443L89Confident86.4Confident54 Ų5457.2 Ų57.228%0.28331%0.308SS..  trans-62.9136.2-177-17964.4000111.2A405 K437 I445A405-L443 HydrophobicContact CB-CD1 3.64Å; A405-L443 HydrophobicContact CB-CD2 4.18Å; K437-L443 HydrophobicContact CB-CB 4.25Å; L443-I445 HydrophobicContact CD1-CG2 4.42Å; L443-I445 HydrophobicContact CD2-CG2 4.02Å; L443-I445 HydrophobicContact CG-CG2 3.97Å
444I89.3Confident85.9Confident45 Ų4556.1 Ų56.123%0.23130%0.297CS..  trans-121135.6173.2-55.7179.4000106.1E442 W527 F533 Y536 V537E442-I444 PolarHBondContact O-N 2.99Å; I444-W527 HydrophobicContact CG2-CH2 4.45Å; I444-W527 HydrophobicContact CG2-CZ2 3.64Å; I444-F533 HydrophobicContact CG2-CE2 4.38Å; I444-Y536 HydrophobicContact CD1-CD1 4.27Å; I444-Y536 HydrophobicContact CD1-CE1 3.64Å; I444-V537 HydrophobicContact CB-CG2 4.48Å
445I89.8Confident85.8Confident44 Ų4455.3 Ų55.323%0.22629%0.288CS..  trans-123.4158.1-179.967175.7000112.7G406 T409 L443 D447G406-I445 WeakPolarHBondContact O-CA 3.49Å; G406-I445 WeakPolarHBondContact O-CB 3.25Å; G406-I445 WeakPolarHBondContact O-CG2 3.5Å; T409-I445 HydrophobicContact CG2-CD1 4.39Å; L443-I445 HydrophobicContact CD1-CG2 4.42Å; L443-I445 HydrophobicContact CD2-CG2 4.02Å; L443-I445 HydrophobicContact CG-CG2 3.97Å; I445-D447 HydrophobicContact CD1-CB 4.04Å; I445-D447 HydrophobicContact CG1-CB 4.31Å
446A83.3Confident85.7Confident3 Ų356.3 Ų56.33%0.02529%0.29CS..  trans-107.745.8178.700000112.4N407 N448 V449 H450 W527 F533N407-A446 CarbonylContact O-C 3.59Å; N407-A446 PolarHBondContact O-N 2.65Å; A446-N448 PolarHBondContact O-N 2.87Å; A446-V449 HydrophobicContact CB-CB 4.4Å; A446-V449 HydrophobicContact CB-CG2 4.19Å; A446-V449 PolarHBondContact O-N 3.37Å; A446-H450 PolarHBondContact O-N 3.25Å; A446-H450 VanDerWaalsContact O-N 3.14Å; A446-W527 HydrophobicContact CB-CZ3 4.15Å; A446-F533 HydrophobicContact CB-CE1 3.97Å; A446-F533 HydrophobicContact CB-CE2 4.09Å; A446-F533 HydrophobicContact CB-CZ 3.7Å
447D79.5Confident85.5Confident87 Ų8754.1 Ų54.147%0.46529%0.288SS..Hα-helixtrans-60.1-26178.465.6-17.9000113.3I445 V449 G451I445-D447 HydrophobicContact CD1-CB 4.04Å; I445-D447 HydrophobicContact CG1-CB 4.31Å; D447-V449 VanDerWaalsContact C-N 3.27Å; D447-V449 PolarHBondContact O-N 3.43Å; D447-G451 PolarHBondContact O-N 3.13Å; D447-G451 VanDerWaalsContact O-N 3.17Å
448N81.2Confident85.4Confident92 Ų9250.3 Ų50.349%0.49227%0.273SS..Hα-helixtrans-71.2-11.8172.667.8-39.6000115.1A446 Y594A446-N448 PolarHBondContact O-N 2.87Å; N448-Y594 WeakPolarHBondContact O-CE2 3.27Å
449V77.8Confident85Confident22 Ų2254.8 Ų54.813%0.13331%0.31CS..Hα-helixtrans-107.7-44.9177.7-173.20000110.7A446 D447 F591 Y594A446-V449 HydrophobicContact CB-CB 4.4Å; A446-V449 HydrophobicContact CB-CG2 4.19Å; A446-V449 PolarHBondContact O-N 3.37Å; D447-V449 VanDerWaalsContact C-N 3.27Å; D447-V449 PolarHBondContact O-N 3.43Å; V449-F591 HydrophobicContact CG1-CE2 4.21Å; V449-Y594 HydrophobicContact CB-CE2 4.3Å; V449-Y594 HydrophobicContact CG1-CD1 4.11Å; V449-Y594 HydrophobicContact CG1-CD2 4.41Å; V449-Y594 HydrophobicContact CG1-CE1 4.15Å; V449-Y594 HydrophobicContact CG1-CE2 4.43Å; V449-Y594 HydrophobicContact CG1-CG 4.26Å; V449-Y594 HydrophobicContact CG2-CE1 4.27Å; V449-Y594 HydrophobicContact CG2-CE2 3.89Å
450H78.9Confident84.7Confident10 Ų1052.6 Ų52.65%0.04630%0.298CS..Hα-helixtrans-101.14.2-170.9-59.5-90.7000114.7G380 H381 D382 N407 A446 G454 F591G380-H450 WeakPolarHBondContact CA-ND1 3.09Å; H381-H450 PolarHBondContact CE1-O 2.88Å; H381-H450 AromaticContact ND1-ND1 3.5Å; H381-H450 PolarHBondContact ND1-ND1 3.37Å; D382-H450 IonicContact OD1-CE1 3.14Å; N407-H450 PolarHBondContact OD1-NE2 2.54Å; A446-H450 PolarHBondContact O-N 3.25Å; A446-H450 VanDerWaalsContact O-N 3.14Å; H450-G454 CarbonylContact O-C 3.59Å; H450-G454 VanDerWaalsContact O-C 3.25Å; H450-G454 WeakPolarHBondContact O-CA 3.41Å; H450-G454 PolarHBondContact O-N 3.43Å; H450-F591 AromaticContact CE1-CE2 3.81Å
451G82.4Confident84.5Confident15 Ų1548 Ų4816%0.15528%0.279CS..THydrogen-bonded Turntrans76.7-170.517800000113.7Q408 D447 D456Q408-G451 PolarHBondContact NE2-O 2.96Å; D447-G451 PolarHBondContact O-N 3.13Å; D447-G451 VanDerWaalsContact O-N 3.17Å; G451-D456 VanDerWaalsContact CA-OD2 3.28Å; G451-D456 WeakPolarHBondContact CA-OD2 3.41Å
452E84.2Confident84.6Confident159 Ų15951.5 Ų51.574%0.74330%0.297SS*.THydrogen-bonded Turntrans-73.2-38.3-173.3-172176.2-178.600112Q408 K412 D456Q408-E452 PolarHBondContact NE2-O 3.15Å; K412-E452 WeakPolarHBondContact CE-O 3.45Å; K412-E452 PolarHBondContact NZ-O 2.72Å; E452-D456 PolarHBondContact N-OD2 3.32Å
453S83.9Confident84.7Confident32 Ų3246.9 Ų46.922%0.22428%0.28CS..THydrogen-bonded Turntrans-87-21.2177.278.80000114N416 L455 D456N416-S453 PolarHBondContact ND2-O 2.92Å; S453-L455 VanDerWaalsContact C-N 3.29Å; S453-L455 VanDerWaalsContact OG-C 3.28Å; S453-L455 PolarHBondContact OG-N 3.18Å; S453-L455 VanDerWaalsContact OG-N 3.12Å; S453-L455 PolarHBondContact OG-O 3.48Å; S453-D456 WeakPolarHBondContact CB-OD1 3.29Å; S453-D456 PolarHBondContact N-OD1 2.81Å; S453-D456 PolarHBondContact OG-N 3.48Å; S453-D456 PolarHBondContact OG-OD1 3.29Å
454G83.5Confident84.5Confident0 Ų048 Ų480%030%0.296CS..SBendtrans90.7-17.9-168.100000113.8G380 H450G380-G454 WeakPolarHBondContact CA-O 3.31Å; H450-G454 CarbonylContact O-C 3.59Å; H450-G454 VanDerWaalsContact O-C 3.25Å; H450-G454 WeakPolarHBondContact O-CA 3.41Å; H450-G454 PolarHBondContact O-N 3.43Å
455L88.1Confident84.6Confident2 Ų248 Ų481%0.0129%0.294CS..SBendtrans-13653.2178-65.3178.1000109.5G380 A384 N416 M420 S453 L460 L587G380-L455 WeakPolarHBondContact O-CD2 3.48Å; A384-L455 HydrophobicContact CB-CD1 4.41Å; A384-L455 HydrophobicContact CB-CD2 3.6Å; N416-L455 HydrophobicContact CB-CD1 3.63Å; N416-L455 HydrophobicContact CB-CG 4.27Å; M420-L455 HydrophobicContact CG-CD1 4.08Å; M420-L455 HydrophobicContact SD-CD1 4.09Å; S453-L455 VanDerWaalsContact C-N 3.29Å; S453-L455 VanDerWaalsContact OG-C 3.28Å; S453-L455 PolarHBondContact OG-N 3.18Å; S453-L455 VanDerWaalsContact OG-N 3.12Å; S453-L455 PolarHBondContact OG-O 3.48Å; L455-L460 HydrophobicContact CB-CD1 3.66Å; L455-L460 HydrophobicContact CD1-CD1 3.56Å; L455-L460 HydrophobicContact CG-CD1 4.23Å; L455-L587 HydrophobicContact CB-CD2 4.31Å; L455-L587 HydrophobicContact CD2-CD2 4.03Å
456D83.7Confident84.7Confident42 Ų4249.4 Ų49.423%0.22531%0.313CS..  trans-76156179-71.1-5000110.5H381 G451 E452 S453 P458 F590H381-D456 PolarHBondContact NE2-N 3.01Å; H381-D456 PolarHBondContact NE2-O 3.5Å; G451-D456 VanDerWaalsContact CA-OD2 3.28Å; G451-D456 WeakPolarHBondContact CA-OD2 3.41Å; E452-D456 PolarHBondContact N-OD2 3.32Å; S453-D456 WeakPolarHBondContact CB-OD1 3.29Å; S453-D456 PolarHBondContact N-OD1 2.81Å; S453-D456 PolarHBondContact OG-N 3.48Å; S453-D456 PolarHBondContact OG-OD1 3.29Å; D456-P458 WeakPolarHBondContact O-CD 3.29Å; D456-F590 HydrophobicContact CB-CD2 4.09Å; D456-F590 HydrophobicContact CB-CE1 4.08Å; D456-F590 HydrophobicContact CB-CE2 3.58Å; D456-F590 HydrophobicContact CB-CZ 3.58Å; D456-F590 WeakPolarHBondContact O-CG 3.27Å
457G82.8Confident85.3Confident55 Ų5551.6 Ų51.657%0.56733%0.327SS*.SBendtrans112.2-85.7-169.200000111.4
458P86.3Confident86Confident11 Ų1151.7 Ų51.77%0.07133%0.325CS..SBendtrans-74.7152.4-176.531-37.7000114.8D456 L460 I583 E586 L587D456-P458 WeakPolarHBondContact O-CD 3.29Å; P458-L460 VanDerWaalsContact C-N 3.3Å; P458-L460 HydrophobicContact CB-CG 4.49Å; P458-L460 HydrophobicContact CG-CD1 4.47Å; P458-L460 HydrophobicContact CG-CG 4.07Å; P458-L460 PolarHBondContact O-N 3.41Å; P458-I583 HydrophobicContact CB-CB 4.4Å; P458-I583 HydrophobicContact CB-CG1 4.1Å; P458-I583 HydrophobicContact CB-CG2 4.05Å; P458-I583 HydrophobicContact CG-CG2 4.15Å; P458-E586 VanDerWaalsContact CA-OE2 3.28Å; P458-E586 WeakPolarHBondContact CA-OE2 3.14Å; P458-E586 HydrophobicContact CB-CB 3.91Å; P458-E586 VanDerWaalsContact CB-OE2 3.26Å; P458-E586 WeakPolarHBondContact CB-OE2 3.42Å; P458-E586 HydrophobicContact CG-CB 4.5Å; P458-L587 HydrophobicContact CG-CD2 3.57Å; P458-L587 HydrophobicContact CG-CG 3.87Å
459A83.4Confident86.5Confident98 Ų9855.6 Ų55.681%0.8135%0.345SS*.  trans-81.768.7170.400000112
460L85.7Confident87.3Confident9 Ų956.6 Ų56.65%0.04735%0.353CS..PPolyproline II helixtrans-60.7144.9177.3-69.5169.7000112.4R419 M420 L423 L455 P458 I583R419-L460 PolarHBondContact NH2-O 2.92Å; M420-L460 HydrophobicContact SD-CD1 4.09Å; M420-L460 HydrophobicContact SD-CD2 3.85Å; L423-L460 HydrophobicContact CD2-CD2 3.83Å; L455-L460 HydrophobicContact CB-CD1 3.66Å; L455-L460 HydrophobicContact CD1-CD1 3.56Å; L455-L460 HydrophobicContact CG-CD1 4.23Å; P458-L460 VanDerWaalsContact C-N 3.3Å; P458-L460 HydrophobicContact CB-CG 4.49Å; P458-L460 HydrophobicContact CG-CD1 4.47Å; P458-L460 HydrophobicContact CG-CG 4.07Å; P458-L460 PolarHBondContact O-N 3.41Å; L460-I583 HydrophobicContact CD2-CD1 4.32Å; L460-I583 HydrophobicContact CD2-CG2 3.64Å
461P86.2Confident88Confident47 Ų4759.4 Ų59.431%0.30537%0.371SS..PPolyproline II helixtrans-62.4163.6179.427-35.2000112.9R419 T422 L423R419-P461 VanDerWaalsContact CG-O 3.25Å; R419-P461 WeakPolarHBondContact CG-O 3.33Å; R419-P461 PolarHBondContact NE-O 2.67Å; T422-P461 HydrophobicContact CG2-CB 4.14Å; T422-P461 HydrophobicContact CG2-CG 4.09Å; L423-P461 HydrophobicContact CB-CG 3.96Å
462E89.7Confident88.6Confident117 Ų11758.7 Ų58.755%0.54736%0.364SS..PPolyproline II helixtrans-77147.1167.1-76-65.611100110.6R415 A464R415-E462 IonicContact CZ-OE1 3.91Å; R415-E462 IonicContact CZ-OE2 3.74Å; R415-E462 IonicContact NH1-OE2 2.7Å; R415-E462 IonicContact NH2-OE1 2.81Å; R415-E462 PolarHBondContact NH2-OE1 3.07Å; R415-E462 IonicContact NH2-OE2 3.38Å; R415-E462 PolarHBondContact NH2-OE2 2.91Å; E462-A464 PolarHBondContact O-N 3.14Å
463P90.2Very high89.2Confident41 Ų4152.2 Ų52.227%0.26634%0.335SS..PPolyproline II helixtrans-53.8122.7179-29.938.4000114.1R415 L418 R419R415-P463 HydrophobicContact CG-CG 4.29Å; L418-P463 HydrophobicContact CB-CB 3.88Å; L418-P463 HydrophobicContact CB-CG 4.02Å; R419-P463 HydrophobicContact CG-CG 3.91Å
464A84.3Confident89.8Confident76 Ų7655.8 Ų55.863%0.62835%0.348SS*.SBendtrans-81.8-12.3177.500000114T422 E462T422-A464 HydrophobicContact CG2-CB 3.58Å; T422-A464 PolarHBondContact OG1-N 3.24Å; E462-A464 PolarHBondContact O-N 3.14Å
465F92.4Very high90.5Very high45 Ų4556 Ų5620%0.19735%0.349CS..SBendtrans-144.2163.6-174.770.8-71.2000112.2L418 L421 T427 V431L418-F465 HydrophobicContact CD2-CD2 4.1Å; L418-F465 HydrophobicContact CD2-CE1 4.03Å; L418-F465 HydrophobicContact CD2-CE2 3.59Å; L418-F465 HydrophobicContact CD2-CZ 3.55Å; L421-F465 HydrophobicContact CB-CE1 3.87Å; L421-F465 HydrophobicContact CB-CZ 3.83Å; L421-F465 HydrophobicContact CD1-CZ 3.84Å; T427-F465 HydrophobicContact CG2-CD1 3.58Å; T427-F465 HydrophobicContact CG2-CE1 3.92Å; T427-F465 HydrophobicContact CG2-CG 4.24Å; V431-F465 HydrophobicContact CG2-CE2 4.08Å; V431-F465 HydrophobicContact CG2-CZ 4.12Å
466A92.2Very high91Very high75 Ų7555.9 Ų55.962%0.6235%0.348SS*.PPolyproline II helixtrans-95.3148.4178.200000111.3
467P94.1Very high91.6Very high49 Ų4953.9 Ų53.932%0.31834%0.338SS..PPolyproline II helixtrans-67.3162.4171.831.2-34.3000111.2L414 L418 V431L414-P467 HydrophobicContact CD1-CB 4.16Å; L414-P467 HydrophobicContact CD2-CG 4.26Å; L418-P467 HydrophobicContact CD1-CB 4.5Å; L418-P467 HydrophobicContact CD1-CG 4.32Å; L418-P467 HydrophobicContact CD2-CB 4.48Å; V431-P467 WeakPolarHBondContact O-CB 3.43Å
468Q94.7Very high92.3Very high88 Ų8855.8 Ų55.841%0.41133%0.331SS..PPolyproline II helixtrans-60.6142.4175.2-62-63.7-44.700110.7P430 V431 C470P430-Q468 HydrophobicContact CB-CG 3.77Å; V431-Q468 WeakPolarHBondContact O-CB 3.43Å; V431-Q468 WeakPolarHBondContact O-CG 3.42Å; V431-Q468 PolarHBondContact O-N 3.38Å; Q468-C470 PolarHBondContact O-N 2.87Å
469N92.6Very high92.8Very high174 Ų17455.8 Ų55.893%0.9333%0.33SS*.SBendtrans-80.958.1179.1-170.135.6000111.7
470C93.6Very high93.4Very high44 Ų4451.2 Ų51.230%0.29729%0.292SS..SBendtrans-157.3168.2178.163.40000110.3Q468 E474Q468-C470 PolarHBondContact O-N 2.87Å; C470-E474 HydrophobicContact CB-CB 4.03Å
471T94.4Very high93.9Very high69 Ų6956.5 Ų56.542%0.42331%0.312SS..  trans-76.3160.317460.80000112.2V473 E474 L475T471-V473 VanDerWaalsContact C-N 3.29Å; T471-V473 PolarHBondContact O-N 3.14Å; T471-E474 WeakPolarHBondContact CB-OE2 3.35Å; T471-E474 WeakPolarHBondContact CG2-OE2 3.41Å; T471-E474 PolarHBondContact N-OE2 3.47Å; T471-E474 PolarHBondContact O-N 3.46Å; T471-E474 VanDerWaalsContact OG1-CD 3.31Å; T471-E474 VanDerWaalsContact OG1-CG 3.27Å; T471-E474 WeakPolarHBondContact OG1-CG 3.44Å; T471-E474 PolarHBondContact OG1-N 2.85Å; T471-E474 PolarHBondContact OG1-OE2 2.93Å; T471-L475 PolarHBondContact O-N 3.45Å
472A95.5Very high94.3Very high0 Ų060.7 Ų60.70%033%0.327CS..Hα-helixtrans-50.1-48171.100000112.6T402 G433 E474 L475 M476 N497T402-A472 HydrophobicContact CG2-CB 3.58Å; G433-A472 PolarHBondContact O-N 3.47Å; A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 2.87Å; A472-L475 PolarHBondContact O-N 3.47Å; A472-L475 VanDerWaalsContact O-N 3.14Å; A472-M476 WeakPolarHBondContact O-CB 3.27Å; A472-M476 VanDerWaalsContact O-CG 3.24Å; A472-M476 WeakPolarHBondContact O-CG 3.31Å; A472-M476 PolarHBondContact O-N 3.26Å; A472-N497 HydrophobicContact CB-CB 4.35Å
473V96.2Very high94.4Very high22 Ų2255.8 Ų55.813%0.13331%0.306CS..Hα-helixtrans-62.3-39.6-178.4-179.10000111.5T471 A477 L500 L501T471-V473 VanDerWaalsContact C-N 3.29Å; T471-V473 PolarHBondContact O-N 3.14Å; V473-A477 WeakPolarHBondContact O-CB 3.33Å; V473-A477 PolarHBondContact O-N 3.42Å; V473-L500 HydrophobicContact CG2-CB 3.74Å; V473-L500 HydrophobicContact CG2-CD1 4.38Å; V473-L501 HydrophobicContact CG1-CB 4.32Å; V473-L501 HydrophobicContact CG1-CD1 4.33Å
474E96.7Very high94.3Very high108 Ų10858.2 Ų58.251%0.50533%0.329SS..Hα-helixtrans-66.4-40.5174.6-72.8165.4131.900112.1C470 T471 A472 A477 K478C470-E474 HydrophobicContact CB-CB 4.03Å; T471-E474 WeakPolarHBondContact CB-OE2 3.35Å; T471-E474 WeakPolarHBondContact CG2-OE2 3.41Å; T471-E474 PolarHBondContact N-OE2 3.47Å; T471-E474 PolarHBondContact O-N 3.46Å; T471-E474 VanDerWaalsContact OG1-CD 3.31Å; T471-E474 VanDerWaalsContact OG1-CG 3.27Å; T471-E474 WeakPolarHBondContact OG1-CG 3.44Å; T471-E474 PolarHBondContact OG1-N 2.85Å; T471-E474 PolarHBondContact OG1-OE2 2.93Å; A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 2.87Å; E474-A477 PolarHBondContact O-N 2.88Å; E474-K478 VanDerWaalsContact O-CB 3.3Å; E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 PolarHBondContact O-N 2.65Å
475L97.5Very high94.6Very high3 Ų356.8 Ų56.82%0.01631%0.31CS..Hα-helixtrans-66.6-45.1176.1179.557.4000111.9A400 T402 P430 A432 T471 A472 A477 K478 T479A400-L475 HydrophobicContact CB-CD1 4.44Å; A400-L475 HydrophobicContact CB-CD2 4.09Å; A400-L475 HydrophobicContact CB-CG 4.1Å; T402-L475 HydrophobicContact CG2-CB 4.44Å; T402-L475 HydrophobicContact CG2-CD2 4.18Å; P430-L475 HydrophobicContact CB-CD1 3.93Å; P430-L475 HydrophobicContact CB-CD2 4.23Å; P430-L475 HydrophobicContact CG-CD1 4.18Å; A432-L475 HydrophobicContact CB-CB 3.81Å; A432-L475 HydrophobicContact CB-CD2 3.54Å; A432-L475 HydrophobicContact CB-CG 4.32Å; T471-L475 PolarHBondContact O-N 3.45Å; A472-L475 PolarHBondContact O-N 3.47Å; A472-L475 VanDerWaalsContact O-N 3.14Å; L475-A477 PolarHBondContact O-N 3.42Å; L475-K478 PolarHBondContact O-N 3.33Å; L475-T479 WeakPolarHBondContact O-CB 3.08Å; L475-T479 PolarHBondContact O-N 3.24Å; L475-T479 PolarHBondContact O-OG1 2.83Å
476M98Very high94.7Very high0 Ų057.4 Ų57.40%032%0.318CS..Hα-helixtrans-57.8-48.5173.8-68.3168112.300110.8L374 D376 T402 A472 K478 T479 L480 I489 N497 V498 L501L374-M476 HydrophobicContact CD1-CB 4.07Å; L374-M476 HydrophobicContact CD1-CG 3.76Å; L374-M476 HydrophobicContact CD2-CE 3.76Å; L374-M476 HydrophobicContact CD2-CG 3.86Å; D376-M476 HydrophobicContact CB-CE 4.28Å; T402-M476 HydrophobicContact CG2-CG 4.03Å; A472-M476 WeakPolarHBondContact O-CB 3.27Å; A472-M476 VanDerWaalsContact O-CG 3.24Å; A472-M476 WeakPolarHBondContact O-CG 3.31Å; A472-M476 PolarHBondContact O-N 3.26Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.94Å; M476-T479 PolarHBondContact O-N 2.84Å; M476-L480 WeakPolarHBondContact O-CB 3.22Å; M476-L480 WeakPolarHBondContact O-CG 3.39Å; M476-L480 PolarHBondContact O-N 2.97Å; M476-I489 HydrophobicContact CE-CD1 4.46Å; M476-I489 HydrophobicContact CE-CG2 4.26Å; M476-N497 HydrophobicContact CE-CB 4.49Å; M476-N497 HydrophobicContact SD-CB 4.09Å; M476-V498 HydrophobicContact CE-CG2 4.12Å; M476-L501 HydrophobicContact CB-CD1 3.97Å; M476-L501 HydrophobicContact CB-CD2 3.87Å; M476-L501 HydrophobicContact CB-CG 4.47Å; M476-L501 HydrophobicContact CE-CD2 4.01Å; M476-L501 HydrophobicContact CG-CD2 4.44Å; M476-L501 HydrophobicContact SD-CB 4.32Å; M476-L501 HydrophobicContact SD-CD2 4.03Å
477A97.3Very high94.9Very high0 Ų053.9 Ų53.90%029%0.289CS..Hα-helixtrans-68.1-31.1-179.300000112.9V473 E474 L475 R481 L501 L508V473-A477 WeakPolarHBondContact O-CB 3.33Å; V473-A477 PolarHBondContact O-N 3.42Å; E474-A477 PolarHBondContact O-N 2.88Å; L475-A477 PolarHBondContact O-N 3.42Å; A477-R481 WeakPolarHBondContact O-CD 3.44Å; A477-R481 WeakPolarHBondContact O-CG 3.34Å; A477-R481 PolarHBondContact O-N 3Å; A477-R481 PolarHBondContact O-NH1 2.85Å; A477-L501 HydrophobicContact CB-CD1 3.99Å; A477-L508 HydrophobicContact CB-CD1 3.66Å; A477-L508 WeakPolarHBondContact O-CD1 3.38Å
478K97Very high95.1Very high96 Ų9651.6 Ų51.642%0.41727%0.274SS..Hα-helixtrans-66.4-52.8170179.9-174.1170.6-166.10110.6E474 L475 M476 L480 R481 E482E474-K478 VanDerWaalsContact O-CB 3.3Å; E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 PolarHBondContact O-N 2.65Å; L475-K478 PolarHBondContact O-N 3.33Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.94Å; K478-L480 VanDerWaalsContact C-N 3.33Å; K478-L480 PolarHBondContact O-N 3.02Å; K478-R481 PolarHBondContact O-N 3.09Å; K478-E482 WeakPolarHBondContact CE-OE1 3.45Å; K478-E482 WeakPolarHBondContact CE-OE2 3.19Å; K478-E482 HydrophobicContact CG-CG 4.39Å; K478-E482 WeakPolarHBondContact CG-OE1 3.37Å; K478-E482 PolarHBondContact O-N 2.91Å
479T96.7Very high95.3Very high11 Ų1147.4 Ų47.47%0.06725%0.254CS..Hα-helixtrans-57.2-44.3-178.2-57.80000112L374 K399 A400 L475 M476 R481 E482 S483L374-T479 HydrophobicContact CD1-CG2 4.15Å; K399-T479 HydrophobicContact CB-CG2 3.46Å; K399-T479 VanDerWaalsContact CB-CG2 3.46Å; K399-T479 HydrophobicContact CG-CG2 4.26Å; A400-T479 HydrophobicContact CB-CG2 4.39Å; L475-T479 WeakPolarHBondContact O-CB 3.08Å; L475-T479 PolarHBondContact O-N 3.24Å; L475-T479 PolarHBondContact O-OG1 2.83Å; M476-T479 PolarHBondContact O-N 2.84Å; T479-R481 VanDerWaalsContact C-N 3.34Å; T479-R481 PolarHBondContact O-N 3.13Å; T479-E482 PolarHBondContact O-N 2.9Å; T479-S483 WeakPolarHBondContact O-CB 3.27Å; T479-S483 PolarHBondContact O-N 3.31Å
480L97.3Very high95.5Very high2 Ų239.1 Ų39.11%0.0121%0.21CC..Hα-helixtrans-66.6-29.9176.5-72.8169.7000113.8M476 K478 V487 L501 L508 K511 I512M476-L480 WeakPolarHBondContact O-CB 3.22Å; M476-L480 WeakPolarHBondContact O-CG 3.39Å; M476-L480 PolarHBondContact O-N 2.97Å; K478-L480 VanDerWaalsContact C-N 3.33Å; K478-L480 PolarHBondContact O-N 3.02Å; L480-V487 HydrophobicContact CD2-CB 3.79Å; L480-V487 HydrophobicContact CD2-CG2 4Å; L480-L501 HydrophobicContact CD1-CD1 4.36Å; L480-L501 HydrophobicContact CD1-CD2 3.83Å; L480-L508 HydrophobicContact CB-CB 4.48Å; L480-L508 HydrophobicContact CB-CD1 4.16Å; L480-L508 HydrophobicContact CD1-CB 4.29Å; L480-L508 HydrophobicContact CD1-CD1 4.47Å; L480-K511 HydrophobicContact CB-CB 4.15Å; L480-K511 HydrophobicContact CD2-CB 4.09Å; L480-K511 WeakPolarHBondContact CD2-O 3.41Å; L480-K511 WeakPolarHBondContact O-CD 3.48Å; L480-K511 VanDerWaalsContact O-CG 3.31Å; L480-K511 WeakPolarHBondContact O-CG 3.43Å; L480-I512 HydrophobicContact CD1-CD1 4.14Å; L480-I512 HydrophobicContact CD1-CG1 3.84Å; L480-I512 HydrophobicContact CD2-CG1 3.82Å
481R96.2Very high95.7Very high119 Ų11937 Ų3745%0.44920%0.196SC..Hα-helixtrans-76.5-40.2175.2-74.3176-168.2113.64.2112.2A477 K478 T479 H505 E507 L508A477-R481 WeakPolarHBondContact O-CD 3.44Å; A477-R481 WeakPolarHBondContact O-CG 3.34Å; A477-R481 PolarHBondContact O-N 3Å; A477-R481 PolarHBondContact O-NH1 2.85Å; K478-R481 PolarHBondContact O-N 3.09Å; T479-R481 VanDerWaalsContact C-N 3.34Å; T479-R481 PolarHBondContact O-N 3.13Å; R481-H505 PolarHBondContact NH2-CE1 2.47Å; R481-H505 PolarHBondContact NH2-ND1 3.25Å; R481-E507 IonicContact CZ-OE1 2.75Å; R481-E507 IonicContact NE-OE1 2.71Å; R481-E507 IonicContact NH2-OE1 3.4Å; R481-E507 PolarHBondContact NH2-OE1 2.79Å; R481-L508 HydrophobicContact CG-CD1 4.21Å; R481-L508 HydrophobicContact CG-CD2 3.52Å
482E94.4Very high95.8Very high136 Ų13633.8 Ų33.864%0.63618%0.176SC*.Hα-helixtrans-80.7-28.2-176.3-69.7175.6179.500112.8K478 T479 A484K478-E482 WeakPolarHBondContact CE-OE1 3.45Å; K478-E482 WeakPolarHBondContact CE-OE2 3.19Å; K478-E482 HydrophobicContact CG-CG 4.39Å; K478-E482 WeakPolarHBondContact CG-OE1 3.37Å; K478-E482 PolarHBondContact O-N 2.91Å; T479-E482 PolarHBondContact O-N 2.9Å; E482-A484 PolarHBondContact O-N 2.91Å
483S91.6Very high95.6Very high13 Ų1333.8 Ų33.89%0.09118%0.176CC..  trans-64.2127.4176-1710000111.8T479 E485 V487 K511T479-S483 WeakPolarHBondContact O-CB 3.27Å; T479-S483 PolarHBondContact O-N 3.31Å; S483-E485 WeakPolarHBondContact CB-O 3.16Å; S483-E485 PolarHBondContact OG-O 2.76Å; S483-V487 VanDerWaalsContact CB-CG2 3.48Å; S483-V487 WeakPolarHBondContact OG-CG2 3.28Å; S483-K511 PolarHBondContact O-NZ 2.89Å
484A87.4Confident95.6Very high92 Ų9232.7 Ų32.776%0.7617%0.17SC*.SBendtrans-64.6-44174.600000111.3E482 K511E482-A484 PolarHBondContact O-N 2.91Å; A484-K511 PolarHBondContact O-NZ 3.32Å
485E90.7Very high95.6Very high47 Ų4727.6 Ų27.622%0.2215%0.145CC..SBendtrans-101.4153.4-178.7-54.9-164.3143.900111.3K359 M369 P372 S483 V487K359-E485 IonicContact NZ-OE1 2.67Å; K359-E485 PolarHBondContact NZ-OE1 2.56Å; M369-E485 HydrophobicContact CE-CG 4.45Å; M369-E485 WeakPolarHBondContact CE-OE1 3.38Å; M369-E485 WeakPolarHBondContact CE-OE2 3.48Å; P372-E485 HydrophobicContact CG-CB 4.4Å; S483-E485 WeakPolarHBondContact CB-O 3.16Å; S483-E485 PolarHBondContact OG-O 2.76Å; E485-V487 PolarHBondContact O-N 3.19Å
486P94.1Very high95.5Very high57 Ų5727.6 Ų27.637%0.3715%0.146SC..PPolyproline II helixtrans-60.4133.5177.2-23.835.7000112.2K511 A513P486-K511 CarbonylContact C-O 3.54Å; P486-K511 VanDerWaalsContact CA-O 3.22Å; P486-K511 WeakPolarHBondContact CA-O 3.48Å; P486-A513 HydrophobicContact CB-CB 3.92Å
487V97.1Very high95.4Very high1 Ų127.7 Ų27.71%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-93.4139.3-174.5-172.90000110P372 L374 L480 S483 E485 K511 I512 A513P372-V487 HydrophobicContact CB-CG2 4.37Å; P372-V487 WeakPolarHBondContact O-CA 3.5Å; P372-V487 WeakPolarHBondContact O-CG1 3.5Å; L374-V487 HydrophobicContact CB-CG1 4.03Å; L480-V487 HydrophobicContact CD2-CB 3.79Å; L480-V487 HydrophobicContact CD2-CG2 4Å; S483-V487 VanDerWaalsContact CB-CG2 3.48Å; S483-V487 WeakPolarHBondContact OG-CG2 3.28Å; E485-V487 PolarHBondContact O-N 3.19Å; V487-K511 PolarHBondContact N-O 2.89Å; V487-I512 CarbonylContact O-C 3.57Å; V487-I512 WeakPolarHBondContact O-CA 3.21Å; V487-A513 PolarHBondContact O-N 3.24Å
488T98.2Very high95.4Very high1 Ų127.7 Ų27.71%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-85125.3168.8-650000109.9P372 I373 L374 V490 R514 V516 L616P372-T488 PolarHBondContact O-N 3.45Å; I373-T488 CarbonylContact C-O 3.55Å; I373-T488 VanDerWaalsContact CA-O 3.24Å; I373-T488 WeakPolarHBondContact CA-O 3.45Å; L374-T488 PolarHBondContact N-O 3.15Å; T488-V490 HydrophobicContact CG2-CG2 4.23Å; T488-R514 HydrophobicContact CG2-CG 3.53Å; T488-V516 HydrophobicContact CG2-CG2 3.94Å; T488-L616 HydrophobicContact CG2-CD1 4.16Å; T488-L616 HydrophobicContact CG2-CD2 4.16Å
489I98.3Very high95.4Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-88.9128.2172.4-61.1174.9000108L374 M476 V498 L501 I512 R514 I515 V516L374-I489 HydrophobicContact CD2-CG2 4.49Å; L374-I489 CarbonylContact O-C 3.56Å; L374-I489 WeakPolarHBondContact O-CA 3.48Å; M476-I489 HydrophobicContact CE-CD1 4.46Å; M476-I489 HydrophobicContact CE-CG2 4.26Å; I489-V498 HydrophobicContact CG2-CG2 4.05Å; I489-L501 HydrophobicContact CD1-CD2 3.82Å; I489-I512 HydrophobicContact CD1-CD1 3.77Å; I489-I512 HydrophobicContact CD1-CG1 3.94Å; I489-I512 HydrophobicContact CD1-CG2 4.03Å; I489-I512 HydrophobicContact CG1-CG2 4.22Å; I489-R514 PolarHBondContact N-O 2.98Å; I489-I515 HydrophobicContact CB-CG1 4.48Å; I489-I515 CarbonylContact O-C 3.53Å; I489-I515 WeakPolarHBondContact O-CA 3.18Å; I489-V516 PolarHBondContact O-N 3.31Å
490V98.2Very high95.4Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-111.6107.4175-175.60000107.6I373 L374 L375 D376 T488 T492 V516 T612 I613 L616I373-V490 HydrophobicContact CB-CG2 4.45Å; L374-V490 PolarHBondContact O-N 3.02Å; L375-V490 CarbonylContact C-O 3.36Å; L375-V490 WeakPolarHBondContact CA-O 3.42Å; L375-V490 HydrophobicContact CD2-CB 3.96Å; L375-V490 HydrophobicContact CD2-CG1 3.88Å; L375-V490 HydrophobicContact CG-CB 4.39Å; D376-V490 PolarHBondContact N-O 2.75Å; T488-V490 HydrophobicContact CG2-CG2 4.23Å; V490-T492 HydrophobicContact CG1-CG2 4.3Å; V490-V516 CarbonylContact C-O 3.52Å; V490-V516 WeakPolarHBondContact CA-O 3.49Å; V490-T612 WeakPolarHBondContact CG1-OG1 3.36Å; V490-I613 HydrophobicContact CG1-CD1 4Å; V490-I613 HydrophobicContact CG2-CD1 4.24Å; V490-L616 HydrophobicContact CG2-CD1 3.64Å
491S97Very high95.4Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-105.4103-177.7-162.90000109.7D376 G493 V516 I517 M518D376-S491 CarbonylContact O-C 3.52Å; D376-S491 VanDerWaalsContact O-CA 3.3Å; D376-S491 WeakPolarHBondContact O-CA 3.29Å; S491-G493 PolarHBondContact OG-O 2.97Å; S491-V516 PolarHBondContact N-O 3.5Å; S491-I517 CarbonylContact O-C 3.49Å; S491-I517 VanDerWaalsContact O-CA 3.27Å; S491-I517 WeakPolarHBondContact O-CA 3.19Å; S491-M518 PolarHBondContact O-N 2.89Å
492T95.8Very high95.5Very high1 Ų120.2 Ų20.21%0.00612%0.119CC..  trans-90.8-30.1178.154.70000111.6D376 C377 D383 V490 N534 D609D376-T492 PolarHBondContact O-N 2.89Å; C377-T492 WeakPolarHBondContact CA-OG1 3.25Å; C377-T492 WeakPolarHBondContact CB-OG1 3.28Å; D383-T492 VanDerWaalsContact OD1-CB 3.3Å; D383-T492 WeakPolarHBondContact OD1-CB 3.38Å; D383-T492 PolarHBondContact OD1-OG1 3.46Å; V490-T492 HydrophobicContact CG1-CG2 4.3Å; T492-N534 PolarHBondContact O-ND2 2.84Å; T492-D609 WeakPolarHBondContact CB-OD1 3.35Å; T492-D609 HydrophobicContact CG2-CB 3.63Å
493G93Very high95.5Very high0 Ų019 Ų190%012%0.117CC..SBendtrans-92.8-176.7173.300000115.4D376 D378 S491 Q495D376-G493 PolarHBondContact O-N 2.99Å; D378-G493 WeakPolarHBondContact OD1-CA 3.28Å; D378-G493 PolarHBondContact OD1-N 3.02Å; S491-G493 PolarHBondContact OG-O 2.97Å; G493-Q495 PolarHBondContact O-N 2.87Å; G493-Q495 PolarHBondContact O-NE2 2.78Å; G493-Q495 VanDerWaalsContact O-NE2 3.09Å
494P94.9Very high95.7Very high0 Ų021.2 Ų21.20%013%0.133CC..  trans-55128.6176.5-24.634.8000111S404 T496 N534 V537S404-P494 PolarHBondContact OG-O 2.76Å; P494-T496 PolarHBondContact O-N 3.05Å; P494-N534 VanDerWaalsContact CD-OD1 3.31Å; P494-N534 WeakPolarHBondContact CD-OD1 3.32Å; P494-N534 HydrophobicContact CG-CB 4.48Å; P494-V537 HydrophobicContact CB-CB 4.07Å; P494-V537 HydrophobicContact CB-CG1 3.82Å; P494-V537 HydrophobicContact CG-CB 3.83Å; P494-V537 HydrophobicContact CG-CG1 3.7Å; P494-V537 HydrophobicContact CG-CG2 4.3Å
495Q96.4Very high96.2Very high0 Ų018.9 Ų18.90%011%0.106CC..THydrogen-bonded Turntrans-73.721.7-162.7-62.674.836.500114.8G493 N497 V498 A499 I517 M518 V545G493-Q495 PolarHBondContact O-N 2.87Å; G493-Q495 PolarHBondContact O-NE2 2.78Å; G493-Q495 VanDerWaalsContact O-NE2 3.09Å; Q495-N497 PolarHBondContact O-N 3.19Å; Q495-V498 HydrophobicContact CB-CB 4.48Å; Q495-V498 PolarHBondContact O-N 3.1Å; Q495-A499 WeakPolarHBondContact O-CB 3.35Å; Q495-A499 PolarHBondContact O-N 3.42Å; Q495-I517 HydrophobicContact CG-CG2 4.26Å; Q495-M518 PolarHBondContact NE2-O 3.39Å; Q495-V545 HydrophobicContact CB-CG2 3.92Å; Q495-V545 HydrophobicContact CG-CG2 4.41Å
496T96.3Very high96.3Very high4 Ų420.6 Ų20.63%0.02512%0.121CC..Hα-helixtrans-55.9-48-175.7-42.10000112.4A435 L439 P494 A499 L500 D538A435-T496 HydrophobicContact CB-CG2 3.52Å; L439-T496 HydrophobicContact CD2-CG2 4.36Å; L439-T496 HydrophobicContact CG-CG2 4.35Å; P494-T496 PolarHBondContact O-N 3.05Å; T496-A499 PolarHBondContact O-N 2.59Å; T496-L500 HydrophobicContact CG2-CD1 4.29Å; T496-L500 WeakPolarHBondContact O-CB 3.34Å; T496-L500 VanDerWaalsContact O-CG 3.24Å; T496-L500 WeakPolarHBondContact O-CG 3.48Å; T496-L500 PolarHBondContact O-N 2.78Å; T496-D538 PolarHBondContact OG1-OD2 3.48Å
497N96.6Very high96.4Very high1 Ų122.6 Ų22.61%0.00513%0.125CC..Hα-helixtrans-66.3-41.8179.5-62.5-33.3000111D376 S403 G434 A435 A472 M476 Q495 L500 L501D376-N497 PolarHBondContact OD1-ND2 2.95Å; D376-N497 WeakPolarHBondContact OD2-CB 3.4Å; S403-N497 PolarHBondContact O-ND2 2.83Å; S403-N497 VanDerWaalsContact O-ND2 3.12Å; G434-N497 VanDerWaalsContact CA-OD1 3.24Å; G434-N497 WeakPolarHBondContact CA-OD1 3.29Å; A435-N497 PolarHBondContact N-OD1 2.82Å; A472-N497 HydrophobicContact CB-CB 4.35Å; M476-N497 HydrophobicContact CE-CB 4.49Å; M476-N497 HydrophobicContact SD-CB 4.09Å; Q495-N497 PolarHBondContact O-N 3.19Å; N497-L500 PolarHBondContact O-N 3.41Å; N497-L501 WeakPolarHBondContact O-CB 3.45Å; N497-L501 PolarHBondContact O-N 3.38Å
498V97.1Very high96.3Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-60.7-48.4175.8-169.80000110.8D376 M476 I489 Q495 L500 L501 L502 I515 V545D376-V498 HydrophobicContact CB-CG2 4.5Å; M476-V498 HydrophobicContact CE-CG2 4.12Å; I489-V498 HydrophobicContact CG2-CG2 4.05Å; Q495-V498 HydrophobicContact CB-CB 4.48Å; Q495-V498 PolarHBondContact O-N 3.1Å; V498-L500 PolarHBondContact O-N 2.91Å; V498-L501 WeakPolarHBondContact O-CB 3.24Å; V498-L501 PolarHBondContact O-N 3Å; V498-L502 HydrophobicContact CG1-CD1 4.08Å; V498-L502 HydrophobicContact CG1-CG 4.39Å; V498-L502 WeakPolarHBondContact O-CB 3.48Å; V498-L502 VanDerWaalsContact O-CG 3.23Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.3Å; V498-I515 HydrophobicContact CG1-CD1 4Å; V498-I515 HydrophobicContact CG1-CG2 4.36Å; V498-V545 HydrophobicContact CB-CG2 4.1Å; V498-V545 HydrophobicContact CG1-CG2 3.8Å
499A97.2Very high96.2Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-64.6-36.6178.500000113L439 Q495 T496 N503 A541 I544L439-A499 HydrophobicContact CD1-CB 4.18Å; Q495-A499 WeakPolarHBondContact O-CB 3.35Å; Q495-A499 PolarHBondContact O-N 3.42Å; T496-A499 PolarHBondContact O-N 2.59Å; A499-N503 WeakPolarHBondContact O-CB 3.29Å; A499-N503 PolarHBondContact O-N 3.07Å; A499-N503 VanDerWaalsContact O-N 3.13Å; A499-N503 PolarHBondContact O-ND2 2.82Å; A499-N503 VanDerWaalsContact O-ND2 3.15Å; A499-A541 HydrophobicContact CB-CB 3.55Å; A499-I544 HydrophobicContact CB-CB 4.01Å; A499-I544 HydrophobicContact CB-CD1 4.16Å; A499-I544 HydrophobicContact CB-CG2 3.87Å
500L96.8Very high96Very high63 Ų6330.6 Ų30.633%0.3317%0.174SC..Hα-helixtrans-65.5-44.5172.5-73.5170.2000111.7A435 L439 V473 T496 N497 V498 N503 S504A435-L500 HydrophobicContact CB-CD1 3.89Å; L439-L500 HydrophobicContact CD2-CD2 3.63Å; L439-L500 HydrophobicContact CD2-CG 3.91Å; V473-L500 HydrophobicContact CG2-CB 3.74Å; V473-L500 HydrophobicContact CG2-CD1 4.38Å; T496-L500 HydrophobicContact CG2-CD1 4.29Å; T496-L500 WeakPolarHBondContact O-CB 3.34Å; T496-L500 VanDerWaalsContact O-CG 3.24Å; T496-L500 WeakPolarHBondContact O-CG 3.48Å; T496-L500 PolarHBondContact O-N 2.78Å; N497-L500 PolarHBondContact O-N 3.41Å; V498-L500 PolarHBondContact O-N 2.91Å; L500-N503 PolarHBondContact O-N 2.81Å; L500-S504 VanDerWaalsContact O-CB 3.25Å; L500-S504 WeakPolarHBondContact O-CB 3.34Å; L500-S504 PolarHBondContact O-N 2.85Å; L500-S504 PolarHBondContact O-OG 3.22Å
501L97.4Very high95.9Very high2 Ų233.3 Ų33.31%0.0119%0.186CC..Hα-helixtrans-59.1-48.1174.5175.371.6000111.4V473 M476 A477 L480 I489 N497 V498 N503 S504 H505 I512V473-L501 HydrophobicContact CG1-CB 4.32Å; V473-L501 HydrophobicContact CG1-CD1 4.33Å; M476-L501 HydrophobicContact CB-CD1 3.97Å; M476-L501 HydrophobicContact CB-CD2 3.87Å; M476-L501 HydrophobicContact CB-CG 4.47Å; M476-L501 HydrophobicContact CE-CD2 4.01Å; M476-L501 HydrophobicContact CG-CD2 4.44Å; M476-L501 HydrophobicContact SD-CB 4.32Å; M476-L501 HydrophobicContact SD-CD2 4.03Å; A477-L501 HydrophobicContact CB-CD1 3.99Å; L480-L501 HydrophobicContact CD1-CD1 4.36Å; L480-L501 HydrophobicContact CD1-CD2 3.83Å; I489-L501 HydrophobicContact CD1-CD2 3.82Å; N497-L501 WeakPolarHBondContact O-CB 3.45Å; N497-L501 PolarHBondContact O-N 3.38Å; V498-L501 WeakPolarHBondContact O-CB 3.24Å; V498-L501 PolarHBondContact O-N 3Å; L501-N503 VanDerWaalsContact C-N 3.32Å; L501-N503 PolarHBondContact O-N 3.38Å; L501-S504 PolarHBondContact O-N 3.44Å; L501-H505 HydrophobicContact CD1-CB 4.18Å; L501-H505 WeakPolarHBondContact O-CA 3.47Å; L501-H505 PolarHBondContact O-N 3.42Å; L501-I512 HydrophobicContact CD2-CD1 4.42Å
502L97Very high95.9Very high7 Ų733.8 Ų33.84%0.03719%0.188CC..Hα-helixtrans-61.7-38.1-179.1-69.7172.8000112.5V498 H509 I512 I515 I544 V545 I550V498-L502 HydrophobicContact CG1-CD1 4.08Å; V498-L502 HydrophobicContact CG1-CG 4.39Å; V498-L502 WeakPolarHBondContact O-CB 3.48Å; V498-L502 VanDerWaalsContact O-CG 3.23Å; V498-L502 WeakPolarHBondContact O-CG 3.41Å; V498-L502 PolarHBondContact O-N 3.3Å; L502-H509 PolarHBondContact O-NE2 3.03Å; L502-I512 HydrophobicContact CD2-CD1 3.98Å; L502-I515 HydrophobicContact CD1-CD1 4.16Å; L502-I544 HydrophobicContact CB-CG2 4.43Å; L502-I544 HydrophobicContact CD1-CG2 4.42Å; L502-V545 HydrophobicContact CD1-CG2 4.06Å; L502-I550 HydrophobicContact CD2-CD1 3.4Å; L502-I550 VanDerWaalsContact CD2-CD1 3.4Å
503N95.7Very high96Very high109 Ų10935.5 Ų35.558%0.58320%0.202SC*.Hα-helixtrans-80.2-34.4178-78.6-45.5000113.9A499 L500 L501A499-N503 WeakPolarHBondContact O-CB 3.29Å; A499-N503 PolarHBondContact O-N 3.07Å; A499-N503 VanDerWaalsContact O-N 3.13Å; A499-N503 PolarHBondContact O-ND2 2.82Å; A499-N503 VanDerWaalsContact O-ND2 3.15Å; L500-N503 PolarHBondContact O-N 2.81Å; L501-N503 VanDerWaalsContact C-N 3.32Å; L501-N503 PolarHBondContact O-N 3.38Å
504S95.6Very high96.2Very high61 Ų6139.6 Ų39.643%0.42722%0.218SC..Hα-helixtrans-86.4-28.1-176.659.50000113.8L500 L501 P506L500-S504 VanDerWaalsContact O-CB 3.25Å; L500-S504 WeakPolarHBondContact O-CB 3.34Å; L500-S504 PolarHBondContact O-N 2.85Å; L500-S504 PolarHBondContact O-OG 3.22Å; L501-S504 PolarHBondContact O-N 3.44Å; S504-P506 VanDerWaalsContact C-CD 3.43Å; S504-P506 WeakPolarHBondContact O-CD 3.33Å
505H96Very high96.3Very high43 Ų4339.6 Ų39.620%0.19922%0.218CC..  trans-127.960-175.9-70.6-58000113.5R481 L501 E507 L508R481-H505 PolarHBondContact NH2-CE1 2.47Å; R481-H505 PolarHBondContact NH2-ND1 3.25Å; L501-H505 HydrophobicContact CD1-CB 4.18Å; L501-H505 WeakPolarHBondContact O-CA 3.47Å; L501-H505 PolarHBondContact O-N 3.42Å; H505-E507 WeakPolarHBondContact CA-OE2 3.38Å; H505-E507 IonicContact CE1-OE1 2.7Å; H505-E507 IonicContact CG-OE1 2.89Å; H505-E507 IonicContact ND1-OE1 3.98Å; H505-E507 PolarHBondContact ND1-OE1 3.39Å; H505-E507 IonicContact ND1-OE2 2.73Å; H505-E507 PolarHBondContact O-N 3.04Å; H505-E507 VanDerWaalsContact O-N 3.15Å; H505-L508 HydrophobicContact CB-CB 4.35Å; H505-L508 HydrophobicContact CB-CD1 3.87Å; H505-L508 HydrophobicContact CB-CG 4.05Å; H505-L508 PolarHBondContact O-N 3.19Å
506P94.3Very high96.4Very high82 Ų8239.6 Ų39.653%0.53222%0.218SC..G310 helixtrans-61.4-21.4177.528.2-35.9000113.4S504 L508 H509S504-P506 VanDerWaalsContact C-CD 3.43Å; S504-P506 WeakPolarHBondContact O-CD 3.33Å; P506-L508 PolarHBondContact O-N 3.2Å; P506-H509 PolarHBondContact O-N 3.12Å
507E94.9Very high96.4Very high100 Ų10039.4 Ų39.447%0.46722%0.217SC..G310 helixtrans-65.5-22.5173.779.1-74.9-176.600113.1R481 H505R481-E507 IonicContact CZ-OE1 2.75Å; R481-E507 IonicContact NE-OE1 2.71Å; R481-E507 IonicContact NH2-OE1 3.4Å; R481-E507 PolarHBondContact NH2-OE1 2.79Å; H505-E507 WeakPolarHBondContact CA-OE2 3.38Å; H505-E507 IonicContact CE1-OE1 2.7Å; H505-E507 IonicContact CG-OE1 2.89Å; H505-E507 IonicContact ND1-OE1 3.98Å; H505-E507 PolarHBondContact ND1-OE1 3.39Å; H505-E507 IonicContact ND1-OE2 2.73Å; H505-E507 PolarHBondContact O-N 3.04Å; H505-E507 VanDerWaalsContact O-N 3.15Å
508L96Very high96.4Very high10 Ų1039.5 Ų39.55%0.05222%0.217CC..G310 helixtrans-94.4-2.8-177.1-56.4-176.2000114.1A477 L480 R481 H505 P506 S510 K511A477-L508 HydrophobicContact CB-CD1 3.66Å; A477-L508 WeakPolarHBondContact O-CD1 3.38Å; L480-L508 HydrophobicContact CB-CB 4.48Å; L480-L508 HydrophobicContact CB-CD1 4.16Å; L480-L508 HydrophobicContact CD1-CB 4.29Å; L480-L508 HydrophobicContact CD1-CD1 4.47Å; R481-L508 HydrophobicContact CG-CD1 4.21Å; R481-L508 HydrophobicContact CG-CD2 3.52Å; H505-L508 HydrophobicContact CB-CB 4.35Å; H505-L508 HydrophobicContact CB-CD1 3.87Å; H505-L508 HydrophobicContact CB-CG 4.05Å; H505-L508 PolarHBondContact O-N 3.19Å; P506-L508 PolarHBondContact O-N 3.2Å; L508-S510 PolarHBondContact O-N 3.44Å; L508-K511 WeakPolarHBondContact O-CA 3.24Å; L508-K511 WeakPolarHBondContact O-CB 3.24Å; L508-K511 PolarHBondContact O-N 3.34Å
509H96Very high96.2Very high57 Ų5739.5 Ų39.526%0.26422%0.217SC..G310 helixtrans-55.5-37.4176.2-71.2-166.8000111.8L502 P506 K511 I512 I550L502-H509 PolarHBondContact O-NE2 3.03Å; P506-H509 PolarHBondContact O-N 3.12Å; H509-K511 PolarHBondContact O-N 2.8Å; H509-I512 PolarHBondContact O-N 2.86Å; H509-I512 VanDerWaalsContact O-N 3.15Å; H509-I550 HydrophobicContact CB-CD1 4.22Å
510S94Very high96.1Very high102 Ų10239.5 Ų39.571%0.71322%0.217SC*.G310 helixtrans-68-10176.165.80000115.3L508L508-S510 PolarHBondContact O-N 3.44Å
511K96.4Very high96Very high57 Ų5736.9 Ų36.925%0.24821%0.205CC..G310 helixtrans-99.1-3.7175-75.7-72.6-164.6167.30113.1L480 S483 A484 P486 V487 L508 H509L480-K511 HydrophobicContact CB-CB 4.15Å; L480-K511 HydrophobicContact CD2-CB 4.09Å; L480-K511 WeakPolarHBondContact CD2-O 3.41Å; L480-K511 WeakPolarHBondContact O-CD 3.48Å; L480-K511 VanDerWaalsContact O-CG 3.31Å; L480-K511 WeakPolarHBondContact O-CG 3.43Å; S483-K511 PolarHBondContact O-NZ 2.89Å; A484-K511 PolarHBondContact O-NZ 3.32Å; P486-K511 CarbonylContact C-O 3.54Å; P486-K511 VanDerWaalsContact CA-O 3.22Å; P486-K511 WeakPolarHBondContact CA-O 3.48Å; V487-K511 PolarHBondContact N-O 2.89Å; L508-K511 WeakPolarHBondContact O-CA 3.24Å; L508-K511 WeakPolarHBondContact O-CB 3.24Å; L508-K511 PolarHBondContact O-N 3.34Å; H509-K511 PolarHBondContact O-N 2.8Å
512I97.3Very high95.7Very high11 Ų1139.5 Ų39.56%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-97.7116.7176.8-57.9169000108L480 V487 I489 L501 L502 H509 I515 I550L480-I512 HydrophobicContact CD1-CD1 4.14Å; L480-I512 HydrophobicContact CD1-CG1 3.84Å; L480-I512 HydrophobicContact CD2-CG1 3.82Å; V487-I512 CarbonylContact O-C 3.57Å; V487-I512 WeakPolarHBondContact O-CA 3.21Å; I489-I512 HydrophobicContact CD1-CD1 3.77Å; I489-I512 HydrophobicContact CD1-CG1 3.94Å; I489-I512 HydrophobicContact CD1-CG2 4.03Å; I489-I512 HydrophobicContact CG1-CG2 4.22Å; L501-I512 HydrophobicContact CD2-CD1 4.42Å; L502-I512 HydrophobicContact CD2-CD1 3.98Å; H509-I512 PolarHBondContact O-N 2.86Å; H509-I512 VanDerWaalsContact O-N 3.15Å; I512-I515 HydrophobicContact CG2-CG1 3.94Å; I512-I550 HydrophobicContact CB-CD1 4.2Å; I512-I550 HydrophobicContact CB-CG2 4.41Å; I512-I550 HydrophobicContact CD1-CD1 3.9Å; I512-I550 HydrophobicContact CG2-CD1 4.33Å; I512-I550 HydrophobicContact CG2-CG2 3.85Å
513A96.3Very high95.1Very high36 Ų3641 Ų4130%0.29824%0.235SC..EExtended strand (participates in β ladder)trans-70.6-44.5-178.700000112.2P486 V487P486-A513 HydrophobicContact CB-CB 3.92Å; V487-A513 PolarHBondContact O-N 3.24Å
514R97.3Very high94.6Very high86 Ų8642.2 Ų42.233%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-166.3167.1176.166.8-171.267.4153.61.4108.9T488 I489 V516 P551T488-R514 HydrophobicContact CG2-CG 3.53Å; I489-R514 PolarHBondContact N-O 2.98Å; R514-V516 HydrophobicContact CG-CG2 4.21Å; R514-P551 CarbonylContact C-O 3.51Å; R514-P551 VanDerWaalsContact CA-O 3.25Å; R514-P551 WeakPolarHBondContact CA-O 3.42Å; R514-P551 HydrophobicContact CB-CB 4.11Å; R514-P551 WeakPolarHBondContact CB-O 3.42Å
515I98.2Very high94.3Very high0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-117.4115.2170.2-54.5169000107.3I489 V498 L502 I512 I517 V545 I550 P551 V552 V553I489-I515 HydrophobicContact CB-CG1 4.48Å; I489-I515 CarbonylContact O-C 3.53Å; I489-I515 WeakPolarHBondContact O-CA 3.18Å; V498-I515 HydrophobicContact CG1-CD1 4Å; V498-I515 HydrophobicContact CG1-CG2 4.36Å; L502-I515 HydrophobicContact CD1-CD1 4.16Å; I512-I515 HydrophobicContact CG2-CG1 3.94Å; I515-I517 HydrophobicContact CG2-CG2 3.69Å; I515-V545 HydrophobicContact CD1-CG1 4.11Å; I515-V545 HydrophobicContact CG2-CG1 4.1Å; I515-I550 HydrophobicContact CD1-CB 4.35Å; I515-I550 HydrophobicContact CD1-CD1 4.3Å; I515-I550 HydrophobicContact CD1-CG2 4.18Å; I515-I550 HydrophobicContact CG1-CG2 4.03Å; I515-P551 PolarHBondContact N-O 2.89Å; I515-V552 CarbonylContact O-C 3.54Å; I515-V552 VanDerWaalsContact O-CA 3.28Å; I515-V552 WeakPolarHBondContact O-CA 3.39Å; I515-V553 PolarHBondContact O-N 3.08Å
516V98.1Very high94Very high0 Ų040.4 Ų40.40%023%0.232CC..EExtended strand (participates in β ladder)trans-96.6125.8171.1-172.40000107.2T488 I489 V490 S491 R514 V553 T612 W615 L616 M659T488-V516 HydrophobicContact CG2-CG2 3.94Å; I489-V516 PolarHBondContact O-N 3.31Å; V490-V516 CarbonylContact C-O 3.52Å; V490-V516 WeakPolarHBondContact CA-O 3.49Å; S491-V516 PolarHBondContact N-O 3.5Å; R514-V516 HydrophobicContact CG-CG2 4.21Å; V516-V553 CarbonylContact C-O 3.53Å; V516-V553 WeakPolarHBondContact CA-O 3.46Å; V516-V553 HydrophobicContact CB-CB 4.44Å; V516-V553 HydrophobicContact CG1-CB 4.22Å; V516-V553 HydrophobicContact CG1-CG1 4.42Å; V516-V553 HydrophobicContact CG2-CB 4.18Å; V516-V553 HydrophobicContact CG2-CG2 4.37Å; V516-T612 HydrophobicContact CG1-CG2 4.09Å; V516-W615 HydrophobicContact CG2-CE3 4.39Å; V516-W615 HydrophobicContact CG2-CZ3 4.3Å; V516-L616 HydrophobicContact CG2-CD1 4.37Å; V516-L616 HydrophobicContact CG2-CD2 3.93Å; V516-L616 HydrophobicContact CG2-CG 4.26Å; V516-M659 HydrophobicContact CG1-CE 4.49Å
517I97.3Very high93.8Very high1 Ų140.9 Ų40.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-119.3141.7-179.571.3176.8000111.2S491 Q495 I515 V545 F546 V552 V553 M554 A555S491-I517 CarbonylContact O-C 3.49Å; S491-I517 VanDerWaalsContact O-CA 3.27Å; S491-I517 WeakPolarHBondContact O-CA 3.19Å; Q495-I517 HydrophobicContact CG-CG2 4.26Å; I515-I517 HydrophobicContact CG2-CG2 3.69Å; I517-V545 HydrophobicContact CG2-CG1 4.4Å; I517-F546 HydrophobicContact CD1-CE1 4.3Å; I517-F546 HydrophobicContact CD1-CE2 3.91Å; I517-F546 HydrophobicContact CD1-CZ 3.59Å; I517-V552 HydrophobicContact CD1-CG1 4.31Å; I517-V552 HydrophobicContact CG1-CG1 4.46Å; I517-V553 PolarHBondContact N-O 2.9Å; I517-M554 HydrophobicContact CG1-CB 4.3Å; I517-M554 HydrophobicContact CG1-CG 4.46Å; I517-A555 PolarHBondContact O-N 2.77Å
518M96.5Very high93.6Very high3 Ų337.6 Ų37.62%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-85.1128.5150.9-169.8-76.3136.100107.2S491 Q495 E532 L557 T560 H608 D609 T612S491-M518 PolarHBondContact O-N 2.89Å; Q495-M518 PolarHBondContact NE2-O 3.39Å; M518-E532 HydrophobicContact CE-CG 4.15Å; M518-L557 HydrophobicContact CE-CD2 3.9Å; M518-T560 HydrophobicContact CE-CG2 4.47Å; M518-H608 HydrophobicContact CE-CB 4.08Å; M518-H608 HydrophobicContact CG-CB 3.89Å; M518-H608 HydrophobicContact SD-CB 4.16Å; M518-D609 WeakPolarHBondContact CB-OD1 3.48Å; M518-D609 WeakPolarHBondContact CG-OD1 3.4Å; M518-T612 HydrophobicContact CB-CG2 3.94Å
519G92.8Very high93.4Very high0 Ų042.5 Ų42.50%024%0.242CC..  trans153.1161.3171.100000114.1E532 M554 A555G519-E532 WeakPolarHBondContact CA-OE2 3.46Å; G519-M554 WeakPolarHBondContact O-CG 3.49Å; G519-A555 PolarHBondContact N-O 2.87Å; G519-A555 VanDerWaalsContact N-O 3.1Å
520G94.3Very high93.2Very high0 Ų040.8 Ų40.80%024%0.238CC..  trans76.2178.5177.300000114.8E532 I535 G556 L557G520-E532 PolarHBondContact N-OE2 3.05Å; G520-I535 VanDerWaalsContact N-CG1 3.25Å; G520-G556 CarbonylContact O-C 3.37Å; G520-G556 WeakPolarHBondContact O-CA 3.17Å; G520-L557 PolarHBondContact O-N 3.2Å
521A94.4Very high93.2Very high8 Ų836 Ų367%0.06620%0.204CC..  trans-155.5149.8174.900000111L524 L557 D558 T642A521-L524 VanDerWaalsContact CB-O 3.28Å; A521-L524 WeakPolarHBondContact CB-O 3.48Å; A521-L557 HydrophobicContact CB-CB 4.02Å; A521-L557 HydrophobicContact CB-CD1 4.38Å; A521-L557 HydrophobicContact CB-CG 4.32Å; A521-D558 WeakPolarHBondContact CA-OD2 3.39Å; A521-T642 PolarHBondContact N-OG1 2.76Å; A521-T642 PolarHBondContact O-OG1 2.69Å
522M90.8Very high93.1Very high56 Ų5633.5 Ų33.528%0.27619%0.193SC..SBendtrans-76.2-31.5162-67.8175.640.700111.6D558 V644 Y646 V658 V660M522-D558 PolarHBondContact N-OD2 2.85Å; M522-V644 HydrophobicContact CG-CB 3.88Å; M522-V644 HydrophobicContact CG-CG1 3.95Å; M522-V644 HydrophobicContact CG-CG2 3.72Å; M522-V644 HydrophobicContact SD-CG1 4.37Å; M522-Y646 HydrophobicContact CE-CD2 3.28Å; M522-Y646 HydrophobicContact CE-CE2 3.62Å; M522-Y646 HydrophobicContact CE-CG 3.96Å; M522-Y646 HydrophobicContact SD-CD2 4.35Å; M522-V658 HydrophobicContact CG-CG1 4.25Å; M522-V658 HydrophobicContact SD-CG1 3.98Å; M522-V660 HydrophobicContact SD-CG1 3.69Å
523G84.2Confident93Very high40 Ų4033.4 Ų33.441%0.41219%0.193SC..SBendtrans-102.4-103.6-177.200000114.7D558G523-D558 PolarHBondContact N-OD1 3.02Å; G523-D558 VanDerWaalsContact N-OD1 3.12Å
524L85.7Confident92.9Very high133 Ų13332 Ų3270%0.69618%0.18SC*.  trans-101.4143.7-172.2-65.1170.5000111A521 L557A521-L524 VanDerWaalsContact CB-O 3.28Å; A521-L524 WeakPolarHBondContact CB-O 3.48Å; L524-L557 WeakPolarHBondContact O-CD1 3.45Å
525G90.6Very high92.8Very high16 Ų1628 Ų2817%0.16517%0.165CC..  trans-84.1159.6168.400000113.3T528 P529 A531G525-T528 CarbonylContact C-O 3.51Å; G525-T528 VanDerWaalsContact C-O 3.26Å; G525-T528 VanDerWaalsContact CA-O 3.24Å; G525-T528 WeakPolarHBondContact CA-O 3.28Å; G525-P529 PolarHBondContact N-O 3.1Å; G525-A531 WeakPolarHBondContact CA-O 3.39Å
526N89.4Confident92.6Very high51 Ų5130.1 Ų30.127%0.27317%0.173SC..SBendtrans-94.7-28175.162.8-10.3000113.2E532 F533 L557N526-E532 VanDerWaalsContact OD1-CA 3.24Å; N526-E532 WeakPolarHBondContact OD1-CA 3.35Å; N526-F533 PolarHBondContact OD1-N 3.35Å; N526-L557 HydrophobicContact CB-CD1 3.84Å
527W90.1Very high92.4Very high91 Ų9130.1 Ų30.135%0.34517%0.174SC..SBendtrans-95.6-43.8-178.4-168.2-100.7000113.1I444 A446 A531 F533 Y536I444-W527 HydrophobicContact CG2-CH2 4.45Å; I444-W527 HydrophobicContact CG2-CZ2 3.64Å; A446-W527 HydrophobicContact CB-CZ3 4.15Å; W527-A531 PolarHBondContact N-O 3.27Å; W527-F533 HydrophobicContact CB-CB 4.12Å; W527-F533 HydrophobicContact CB-CD2 4.33Å; W527-F533 AromaticContact CD2-CD2 3.51Å; W527-F533 HydrophobicContact CD2-CD2 3.51Å; W527-F533 HydrophobicContact CD2-CE2 4.09Å; W527-F533 AromaticContact CE3-CD2 3.43Å; W527-F533 HydrophobicContact CE3-CD2 3.43Å; W527-F533 VanDerWaalsContact CE3-CD2 3.43Å; W527-F533 AromaticContact CE3-CE2 3.94Å; W527-F533 HydrophobicContact CE3-CE2 3.94Å; W527-F533 HydrophobicContact CE3-CG 4.27Å; W527-F533 AromaticContact CG-CD2 3.92Å; W527-F533 HydrophobicContact CG-CD2 3.92Å; W527-F533 HydrophobicContact CH2-CD2 4.33Å; W527-F533 AromaticContact CH2-CE2 3.99Å; W527-F533 HydrophobicContact CH2-CE2 3.99Å; W527-F533 HydrophobicContact CZ2-CD2 4.42Å; W527-F533 HydrophobicContact CZ2-CE2 4.15Å; W527-F533 AromaticContact CZ3-CD2 3.85Å; W527-F533 HydrophobicContact CZ3-CD2 3.85Å; W527-F533 AromaticContact CZ3-CE2 3.88Å; W527-F533 HydrophobicContact CZ3-CE2 3.88Å; W527-Y536 AromaticContact CD1-CD1 3.24Å; W527-Y536 AromaticContact CD1-CE1 3.52Å; W527-Y536 AromaticContact CD1-CG 3.79Å; W527-Y536 HydrophobicContact CG-CD1 4.25Å; W527-Y536 AromaticContact NE1-CD1 3.56Å; W527-Y536 AromaticContact NE1-CE1 3.5Å
528T90.7Very high92.3Very high32 Ų3230.1 Ų30.120%0.19617%0.173CC..BIsolated β-bridgetrans-121.6160.716281.80000108.4G525 A530 A531 Y536G525-T528 CarbonylContact C-O 3.51Å; G525-T528 VanDerWaalsContact C-O 3.26Å; G525-T528 VanDerWaalsContact CA-O 3.24Å; G525-T528 WeakPolarHBondContact CA-O 3.28Å; T528-A530 PolarHBondContact O-N 3.38Å; T528-A530 PolarHBondContact OG1-N 3.35Å; T528-A531 PolarHBondContact N-O 2.89Å; T528-A531 VanDerWaalsContact N-O 3.14Å; T528-A531 PolarHBondContact O-N 3.44Å; T528-A531 VanDerWaalsContact O-N 3.16Å; T528-A531 VanDerWaalsContact O-O 3.09Å; T528-A531 WeakPolarHBondContact OG1-CB 3.42Å; T528-A531 PolarHBondContact OG1-N 3.27Å; T528-A531 VanDerWaalsContact OG1-N 3.08Å; T528-Y536 HydrophobicContact CG2-CD2 3.84Å; T528-Y536 HydrophobicContact CG2-CE2 3.65Å; T528-Y536 HydrophobicContact CG2-CG 4.49Å
529P90.2Very high92.3Very high112 Ų11230 Ų3073%0.72717%0.173SC*.THydrogen-bonded Turntrans-55.2-19.9178.2-27.436000115G525G525-P529 PolarHBondContact N-O 3.1Å
530A92.8Very high92.5Very high21 Ų2132 Ų3217%0.17418%0.182CC..THydrogen-bonded Turntrans-113.2-10.4-177.900000114.7T528 T638 M641T528-A530 PolarHBondContact O-N 3.38Å; T528-A530 PolarHBondContact OG1-N 3.35Å; A530-T638 HydrophobicContact CB-CG2 4.25Å; A530-M641 HydrophobicContact CB-CB 4.37Å; A530-M641 HydrophobicContact CB-CG 4.48Å; A530-M641 HydrophobicContact CB-SD 4.25Å; A530-M641 WeakPolarHBondContact O-CA 3.44Å; A530-M641 VanDerWaalsContact O-CB 3.25Å; A530-M641 WeakPolarHBondContact O-CB 3.41Å; A530-M641 VanDerWaalsContact O-CG 3.28Å; A530-M641 WeakPolarHBondContact O-CG 3.23Å
531A94.1Very high92.6Very high1 Ų132 Ų321%0.00818%0.182CC..BIsolated β-bridgetrans-135.6131.1-171.900000111.7G525 W527 T528 Y536 G640G525-A531 WeakPolarHBondContact CA-O 3.39Å; W527-A531 PolarHBondContact N-O 3.27Å; T528-A531 PolarHBondContact N-O 2.89Å; T528-A531 VanDerWaalsContact N-O 3.14Å; T528-A531 PolarHBondContact O-N 3.44Å; T528-A531 VanDerWaalsContact O-N 3.16Å; T528-A531 VanDerWaalsContact O-O 3.09Å; T528-A531 WeakPolarHBondContact OG1-CB 3.42Å; T528-A531 PolarHBondContact OG1-N 3.27Å; T528-A531 VanDerWaalsContact OG1-N 3.08Å; A531-Y536 HydrophobicContact CB-CD2 3.99Å; A531-Y536 HydrophobicContact CB-CG 4.48Å; A531-G640 VanDerWaalsContact CB-C 3.45Å; A531-G640 WeakPolarHBondContact CB-O 3.42Å
532E95Very high92.7Very high5 Ų531.7 Ų31.72%0.02318%0.179CC..  trans-72.5150168-178.8-72.7128.100109.6M518 G519 G520 N526 N534 I535 Y536 L557M518-E532 HydrophobicContact CE-CG 4.15Å; G519-E532 WeakPolarHBondContact CA-OE2 3.46Å; G520-E532 PolarHBondContact N-OE2 3.05Å; N526-E532 VanDerWaalsContact OD1-CA 3.24Å; N526-E532 WeakPolarHBondContact OD1-CA 3.35Å; E532-N534 VanDerWaalsContact CD-N 3.27Å; E532-N534 PolarHBondContact OE1-N 3.44Å; E532-N534 PolarHBondContact OE2-N 3.3Å; E532-N534 VanDerWaalsContact OE2-N 3.13Å; E532-I535 WeakPolarHBondContact OE2-CG1 3.26Å; E532-I535 PolarHBondContact OE2-N 2.84Å; E532-I535 VanDerWaalsContact OE2-N 3.16Å; E532-Y536 WeakPolarHBondContact O-CB 3.35Å; E532-Y536 PolarHBondContact O-N 3.42Å; E532-L557 HydrophobicContact CB-CD1 3.89Å; E532-L557 HydrophobicContact CB-CG 4.18Å; E532-L557 HydrophobicContact CG-CD1 3.77Å; E532-L557 HydrophobicContact CG-CD2 3.85Å; E532-L557 HydrophobicContact CG-CG 3.7Å
533F93.7Very high93Very high10 Ų1031.6 Ų31.64%0.04418%0.179CC..Hα-helixtrans-53.9-55.2-173.4179.3-113.5000114.3I444 A446 N526 W527 I535 Y536 V537I444-F533 HydrophobicContact CG2-CE2 4.38Å; A446-F533 HydrophobicContact CB-CE1 3.97Å; A446-F533 HydrophobicContact CB-CE2 4.09Å; A446-F533 HydrophobicContact CB-CZ 3.7Å; N526-F533 PolarHBondContact OD1-N 3.35Å; W527-F533 HydrophobicContact CB-CB 4.12Å; W527-F533 HydrophobicContact CB-CD2 4.33Å; W527-F533 AromaticContact CD2-CD2 3.51Å; W527-F533 HydrophobicContact CD2-CD2 3.51Å; W527-F533 HydrophobicContact CD2-CE2 4.09Å; W527-F533 AromaticContact CE3-CD2 3.43Å; W527-F533 HydrophobicContact CE3-CD2 3.43Å; W527-F533 VanDerWaalsContact CE3-CD2 3.43Å; W527-F533 AromaticContact CE3-CE2 3.94Å; W527-F533 HydrophobicContact CE3-CE2 3.94Å; W527-F533 HydrophobicContact CE3-CG 4.27Å; W527-F533 AromaticContact CG-CD2 3.92Å; W527-F533 HydrophobicContact CG-CD2 3.92Å; W527-F533 HydrophobicContact CH2-CD2 4.33Å; W527-F533 AromaticContact CH2-CE2 3.99Å; W527-F533 HydrophobicContact CH2-CE2 3.99Å; W527-F533 HydrophobicContact CZ2-CD2 4.42Å; W527-F533 HydrophobicContact CZ2-CE2 4.15Å; W527-F533 AromaticContact CZ3-CD2 3.85Å; W527-F533 HydrophobicContact CZ3-CD2 3.85Å; W527-F533 AromaticContact CZ3-CE2 3.88Å; W527-F533 HydrophobicContact CZ3-CE2 3.88Å; F533-I535 PolarHBondContact O-N 3.04Å; F533-Y536 CarbonylContact O-C 3.51Å; F533-Y536 WeakPolarHBondContact O-CA 3.33Å; F533-Y536 WeakPolarHBondContact O-CB 3.29Å; F533-Y536 PolarHBondContact O-N 3.09Å; F533-V537 HydrophobicContact CD1-CG2 4.4Å; F533-V537 HydrophobicContact CD2-CG2 3.95Å; F533-V537 HydrophobicContact CE1-CG2 4.03Å; F533-V537 HydrophobicContact CE2-CG2 3.56Å; F533-V537 HydrophobicContact CG-CG2 4.37Å; F533-V537 HydrophobicContact CZ-CG2 3.59Å; F533-V537 WeakPolarHBondContact O-CG2 3.24Å; F533-V537 PolarHBondContact O-N 3.14Å
534N94Very high93.6Very high7 Ų732 Ų324%0.03717%0.171CC..Hα-helixtrans-61.6-43.8-175.4-73.5-28.8000112.1T492 P494 E532 Y536 V537 D538T492-N534 PolarHBondContact O-ND2 2.84Å; P494-N534 VanDerWaalsContact CD-OD1 3.31Å; P494-N534 WeakPolarHBondContact CD-OD1 3.32Å; P494-N534 HydrophobicContact CG-CB 4.48Å; E532-N534 VanDerWaalsContact CD-N 3.27Å; E532-N534 PolarHBondContact OE1-N 3.44Å; E532-N534 PolarHBondContact OE2-N 3.3Å; E532-N534 VanDerWaalsContact OE2-N 3.13Å; N534-Y536 VanDerWaalsContact C-N 3.32Å; N534-Y536 PolarHBondContact O-N 2.75Å; N534-V537 PolarHBondContact O-N 2.69Å; N534-D538 PolarHBondContact O-N 3.26Å
535I95.7Very high94.2Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-68.8-30.2174-49.7-63.5000111.7G520 E532 F533 D538 P539 A542 V631 G640 T642G520-I535 VanDerWaalsContact N-CG1 3.25Å; E532-I535 WeakPolarHBondContact OE2-CG1 3.26Å; E532-I535 PolarHBondContact OE2-N 2.84Å; E532-I535 VanDerWaalsContact OE2-N 3.16Å; F533-I535 PolarHBondContact O-N 3.04Å; I535-D538 CarbonylContact O-C 3.52Å; I535-P539 WeakPolarHBondContact O-CA 3.24Å; I535-P539 WeakPolarHBondContact O-CD 3.32Å; I535-P539 VanDerWaalsContact O-CG 3.27Å; I535-P539 WeakPolarHBondContact O-CG 3.47Å; I535-P539 VanDerWaalsContact O-N 3.07Å; I535-A542 HydrophobicContact CD1-CB 3.63Å; I535-A542 HydrophobicContact CG2-CB 3.87Å; I535-V631 HydrophobicContact CG2-CG1 3.56Å; I535-V631 HydrophobicContact CG2-CG2 4.15Å; I535-G640 WeakPolarHBondContact CG2-O 3.44Å; I535-T642 HydrophobicContact CG1-CG2 4.22Å; I535-T642 HydrophobicContact CG2-CG2 4.28Å
536Y94.7Very high94.5Very high45 Ų4525.1 Ų25.118%0.17613%0.131CC..Hα-helixtrans-73.4-33.4176.3-177.9-94.5000113.1R441 I444 W527 T528 A531 E532 F533 N534 P539 Q639R441-Y536 VanDerWaalsContact NH1-CE1 3.31Å; R441-Y536 VanDerWaalsContact NH1-CZ 3.33Å; R441-Y536 PolarHBondContact NH1-O 2.87Å; R441-Y536 PolarHBondContact NH2-OH 3.34Å; I444-Y536 HydrophobicContact CD1-CD1 4.27Å; I444-Y536 HydrophobicContact CD1-CE1 3.64Å; W527-Y536 AromaticContact CD1-CD1 3.24Å; W527-Y536 AromaticContact CD1-CE1 3.52Å; W527-Y536 AromaticContact CD1-CG 3.79Å; W527-Y536 HydrophobicContact CG-CD1 4.25Å; W527-Y536 AromaticContact NE1-CD1 3.56Å; W527-Y536 AromaticContact NE1-CE1 3.5Å; T528-Y536 HydrophobicContact CG2-CD2 3.84Å; T528-Y536 HydrophobicContact CG2-CE2 3.65Å; T528-Y536 HydrophobicContact CG2-CG 4.49Å; A531-Y536 HydrophobicContact CB-CD2 3.99Å; A531-Y536 HydrophobicContact CB-CG 4.48Å; E532-Y536 WeakPolarHBondContact O-CB 3.35Å; E532-Y536 PolarHBondContact O-N 3.42Å; F533-Y536 CarbonylContact O-C 3.51Å; F533-Y536 WeakPolarHBondContact O-CA 3.33Å; F533-Y536 WeakPolarHBondContact O-CB 3.29Å; F533-Y536 PolarHBondContact O-N 3.09Å; N534-Y536 VanDerWaalsContact C-N 3.32Å; N534-Y536 PolarHBondContact O-N 2.75Å; Y536-P539 WeakPolarHBondContact O-CD 3.44Å; Y536-Q639 WeakPolarHBondContact CD2-O 3.37Å
537V93.8Very high94.8Very high1 Ų126.8 Ų26.81%0.00614%0.137CC..Hα-helixtrans-64.1-47.1178.4169.50000110.5P438 I444 P494 F533 N534P438-V537 WeakPolarHBondContact CB-O 3.43Å; P438-V537 HydrophobicContact CG-CG1 3.71Å; P438-V537 VanDerWaalsContact CG-O 3.27Å; P438-V537 WeakPolarHBondContact CG-O 3.25Å; I444-V537 HydrophobicContact CB-CG2 4.48Å; P494-V537 HydrophobicContact CB-CB 4.07Å; P494-V537 HydrophobicContact CB-CG1 3.82Å; P494-V537 HydrophobicContact CG-CB 3.83Å; P494-V537 HydrophobicContact CG-CG1 3.7Å; P494-V537 HydrophobicContact CG-CG2 4.3Å; F533-V537 HydrophobicContact CD1-CG2 4.4Å; F533-V537 HydrophobicContact CD2-CG2 3.95Å; F533-V537 HydrophobicContact CE1-CG2 4.03Å; F533-V537 HydrophobicContact CE2-CG2 3.56Å; F533-V537 HydrophobicContact CG-CG2 4.37Å; F533-V537 HydrophobicContact CZ-CG2 3.59Å; F533-V537 WeakPolarHBondContact O-CG2 3.24Å; F533-V537 PolarHBondContact O-N 3.14Å; N534-V537 PolarHBondContact O-N 2.69Å
538D95Very high95Very high0 Ų023.7 Ų23.70%013%0.129CC..  trans-13678.2175.1-157.7-26.1000113.3P438 L439 T496 N534 I535 E540 A541 A542P438-D538 WeakPolarHBondContact CA-OD2 3.41Å; P438-D538 HydrophobicContact CB-CB 3.94Å; P438-D538 WeakPolarHBondContact CB-OD2 3.32Å; L439-D538 WeakPolarHBondContact CG-OD2 3.36Å; L439-D538 PolarHBondContact N-OD2 2.89Å; T496-D538 PolarHBondContact OG1-OD2 3.48Å; N534-D538 PolarHBondContact O-N 3.26Å; I535-D538 CarbonylContact O-C 3.52Å; D538-E540 PolarHBondContact O-N 3.25Å; D538-E540 PolarHBondContact OD1-N 2.97Å; D538-A541 HydrophobicContact CB-CB 3.81Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 WeakPolarHBondContact OD1-CB 3.44Å; D538-A541 PolarHBondContact OD1-N 2.82Å; D538-A542 PolarHBondContact O-N 3.48Å; D538-A542 VanDerWaalsContact O-N 3.08Å
539P95.8Very high95.2Very high0 Ų025.8 Ų25.80%016%0.157CC..Hα-helixtrans-60.3-34.7179.1-20.831.1000112.7I535 Y536 E543 V631 T633 Q639I535-P539 WeakPolarHBondContact O-CA 3.24Å; I535-P539 WeakPolarHBondContact O-CD 3.32Å; I535-P539 VanDerWaalsContact O-CG 3.27Å; I535-P539 WeakPolarHBondContact O-CG 3.47Å; I535-P539 VanDerWaalsContact O-N 3.07Å; Y536-P539 WeakPolarHBondContact O-CD 3.44Å; P539-E543 PolarHBondContact O-N 2.83Å; P539-V631 HydrophobicContact CB-CG1 4.04Å; P539-T633 HydrophobicContact CB-CG2 4.13Å; P539-Q639 HydrophobicContact CG-CG 3.93Å
540E96.7Very high95.4Very high43 Ų4321.1 Ų21.120%0.20113%0.126CC..Hα-helixtrans-68.3-41178.1-69.686.6171.400112M440 D538 I544 T633M440-E540 HydrophobicContact CB-CG 4.18Å; M440-E540 HydrophobicContact CG-CB 4.33Å; M440-E540 HydrophobicContact CG-CG 3.94Å; D538-E540 PolarHBondContact O-N 3.25Å; D538-E540 PolarHBondContact OD1-N 2.97Å; E540-I544 WeakPolarHBondContact O-CD1 3.48Å; E540-I544 VanDerWaalsContact O-CG1 3.29Å; E540-I544 WeakPolarHBondContact O-CG1 3.43Å; E540-I544 PolarHBondContact O-N 3.18Å; E540-I544 VanDerWaalsContact O-N 3.12Å; E540-T633 HydrophobicContact CG-CG2 4.22Å
541A96.6Very high95.6Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-64.9-42.8173.700000112.2L439 A499 D538 I544 V545L439-A541 HydrophobicContact CD1-CB 3.87Å; L439-A541 HydrophobicContact CG-CB 4.37Å; A499-A541 HydrophobicContact CB-CB 3.55Å; D538-A541 HydrophobicContact CB-CB 3.81Å; D538-A541 PolarHBondContact O-N 2.95Å; D538-A541 WeakPolarHBondContact OD1-CB 3.44Å; D538-A541 PolarHBondContact OD1-N 2.82Å; A541-I544 WeakPolarHBondContact O-CB 3.34Å; A541-I544 PolarHBondContact O-N 2.84Å; A541-V545 PolarHBondContact O-N 3.02Å
542A96.8Very high95.8Very high1 Ų124 Ų241%0.00814%0.143CC..Hα-helixtrans-61.8-43.317700000112.3I535 D538 I544 V545 F546 V631I535-A542 HydrophobicContact CD1-CB 3.63Å; I535-A542 HydrophobicContact CG2-CB 3.87Å; D538-A542 PolarHBondContact O-N 3.48Å; D538-A542 VanDerWaalsContact O-N 3.08Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 2.7Å; A542-V545 PolarHBondContact O-N 3Å; A542-F546 VanDerWaalsContact O-CD2 3.3Å; A542-F546 WeakPolarHBondContact O-CD2 3.3Å; A542-F546 PolarHBondContact O-N 3.02Å; A542-V631 HydrophobicContact CB-CG2 3.92Å
543E97.5Very high95.9Very high55 Ų5524 Ų2426%0.25714%0.143SC..Hα-helixtrans-60.4-41.4173.7-178.560.8-176.700111.5P539 V545 F546 Q547 G630 V631 T633P539-E543 PolarHBondContact O-N 2.83Å; E543-V545 VanDerWaalsContact C-N 3.31Å; E543-V545 PolarHBondContact O-N 3.48Å; E543-F546 PolarHBondContact O-N 3.4Å; E543-Q547 HydrophobicContact CG-CG 4.21Å; E543-Q547 WeakPolarHBondContact O-CB 3.3Å; E543-Q547 WeakPolarHBondContact O-CG 3.48Å; E543-Q547 PolarHBondContact O-N 2.58Å; E543-Q547 WeakPolarHBondContact OE1-CG 3.25Å; E543-Q547 PolarHBondContact OE1-NE2 2.86Å; E543-Q547 VanDerWaalsContact OE1-NE2 3.07Å; E543-Q547 PolarHBondContact OE2-NE2 3.21Å; E543-G630 WeakPolarHBondContact OE2-CA 3.37Å; E543-V631 HydrophobicContact CB-CB 4.12Å; E543-V631 PolarHBondContact OE2-N 2.74Å; E543-T633 HydrophobicContact CB-CG2 4.32Å
544I97.2Very high96.1Very high48 Ų4823.5 Ų23.525%0.24614%0.141CC..Hα-helixtrans-59.9-40.5175.6-70.6157.6000111.4L439 A499 L502 E540 A541 A542 S548L439-I544 HydrophobicContact CD1-CD1 3.71Å; A499-I544 HydrophobicContact CB-CB 4.01Å; A499-I544 HydrophobicContact CB-CD1 4.16Å; A499-I544 HydrophobicContact CB-CG2 3.87Å; L502-I544 HydrophobicContact CB-CG2 4.43Å; L502-I544 HydrophobicContact CD1-CG2 4.42Å; E540-I544 WeakPolarHBondContact O-CD1 3.48Å; E540-I544 VanDerWaalsContact O-CG1 3.29Å; E540-I544 WeakPolarHBondContact O-CG1 3.43Å; E540-I544 PolarHBondContact O-N 3.18Å; E540-I544 VanDerWaalsContact O-N 3.12Å; A541-I544 WeakPolarHBondContact O-CB 3.34Å; A541-I544 PolarHBondContact O-N 2.84Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 2.7Å; I544-S548 WeakPolarHBondContact O-CB 3.39Å; I544-S548 PolarHBondContact O-N 3.13Å; I544-S548 VanDerWaalsContact O-N 3.11Å
545V97.4Very high96.2Very high1 Ų123.2 Ų23.21%0.00614%0.139CC..Hα-helixtrans-66.7-49.2177.3171.50000111.4Q495 V498 L502 I515 I517 A541 A542 E543 Q547 S548 V552Q495-V545 HydrophobicContact CB-CG2 3.92Å; Q495-V545 HydrophobicContact CG-CG2 4.41Å; V498-V545 HydrophobicContact CB-CG2 4.1Å; V498-V545 HydrophobicContact CG1-CG2 3.8Å; L502-V545 HydrophobicContact CD1-CG2 4.06Å; I515-V545 HydrophobicContact CD1-CG1 4.11Å; I515-V545 HydrophobicContact CG2-CG1 4.1Å; I517-V545 HydrophobicContact CG2-CG1 4.4Å; A541-V545 PolarHBondContact O-N 3.02Å; A542-V545 PolarHBondContact O-N 3Å; E543-V545 VanDerWaalsContact C-N 3.31Å; E543-V545 PolarHBondContact O-N 3.48Å; V545-Q547 VanDerWaalsContact C-N 3.34Å; V545-Q547 PolarHBondContact O-N 2.6Å; V545-S548 WeakPolarHBondContact O-CB 3.35Å; V545-S548 PolarHBondContact O-N 2.88Å; V545-S548 PolarHBondContact O-OG 3.5Å; V545-V552 HydrophobicContact CG1-CG2 4.13Å
546F97.4Very high96.2Very high3 Ų323.2 Ų23.21%0.01314%0.139CC..Hα-helixtrans-65.5-32.7179.4-79.3-67.2000113.5I517 A542 E543 V552 M554 V629 V631 T642 N655 A656I517-F546 HydrophobicContact CD1-CE1 4.3Å; I517-F546 HydrophobicContact CD1-CE2 3.91Å; I517-F546 HydrophobicContact CD1-CZ 3.59Å; A542-F546 VanDerWaalsContact O-CD2 3.3Å; A542-F546 WeakPolarHBondContact O-CD2 3.3Å; A542-F546 PolarHBondContact O-N 3.02Å; E543-F546 PolarHBondContact O-N 3.4Å; F546-V552 HydrophobicContact CD1-CG1 4.12Å; F546-V552 HydrophobicContact CE1-CG1 3.9Å; F546-M554 HydrophobicContact CE1-SD 4.34Å; F546-M554 HydrophobicContact CZ-CB 4.47Å; F546-M554 HydrophobicContact CZ-CG 4.32Å; F546-M554 HydrophobicContact CZ-SD 3.84Å; F546-V629 HydrophobicContact CD1-CB 3.8Å; F546-V629 HydrophobicContact CD1-CG1 4.02Å; F546-V629 HydrophobicContact CD2-CG1 4.32Å; F546-V629 HydrophobicContact CE1-CB 3.74Å; F546-V629 HydrophobicContact CE1-CG1 3.69Å; F546-V629 HydrophobicContact CE1-CG2 4.21Å; F546-V629 HydrophobicContact CE2-CG1 4.03Å; F546-V629 HydrophobicContact CG-CB 4.39Å; F546-V629 HydrophobicContact CG-CG1 4.32Å; F546-V629 HydrophobicContact CZ-CB 4.27Å; F546-V629 HydrophobicContact CZ-CG1 3.69Å; F546-V631 HydrophobicContact CD2-CG2 3.77Å; F546-V631 HydrophobicContact CE2-CG2 4.13Å; F546-T642 HydrophobicContact CE2-CG2 4.13Å; F546-T642 HydrophobicContact CZ-CG2 4.5Å; F546-N655 PolarHBondContact O-ND2 3.09Å; F546-A656 HydrophobicContact CD1-CB 4.08Å; F546-A656 HydrophobicContact CE1-CB 3.8Å
547Q95.8Very high96.2Very high86 Ų8621.2 Ų21.240%0.40213%0.132SC..THydrogen-bonded Turntrans-90.55.3176.1-50.9-46.3-32.400114E543 V545 G549E543-Q547 HydrophobicContact CG-CG 4.21Å; E543-Q547 WeakPolarHBondContact O-CB 3.3Å; E543-Q547 WeakPolarHBondContact O-CG 3.48Å; E543-Q547 PolarHBondContact O-N 2.58Å; E543-Q547 WeakPolarHBondContact OE1-CG 3.25Å; E543-Q547 PolarHBondContact OE1-NE2 2.86Å; E543-Q547 VanDerWaalsContact OE1-NE2 3.07Å; E543-Q547 PolarHBondContact OE2-NE2 3.21Å; V545-Q547 VanDerWaalsContact C-N 3.34Å; V545-Q547 PolarHBondContact O-N 2.6Å; Q547-G549 VanDerWaalsContact C-N 3.27Å; Q547-G549 PolarHBondContact O-N 2.96Å
548S95.2Very high96.1Very high27 Ų2723.3 Ų23.319%0.18914%0.143CC..SBendtrans-64.2-26.4-176.766.70000114.7I544 V545 I550I544-S548 WeakPolarHBondContact O-CB 3.39Å; I544-S548 PolarHBondContact O-N 3.13Å; I544-S548 VanDerWaalsContact O-N 3.11Å; V545-S548 WeakPolarHBondContact O-CB 3.35Å; V545-S548 PolarHBondContact O-N 2.88Å; V545-S548 PolarHBondContact O-OG 3.5Å; S548-I550 PolarHBondContact O-N 3.33Å; S548-I550 PolarHBondContact OG-N 3.11Å
549G93Very high96.1Very high76 Ų7623.3 Ų23.378%0.78414%0.143SC*.SBendtrans78.50.9-172.600000114.7Q547Q547-G549 VanDerWaalsContact C-N 3.27Å; Q547-G549 PolarHBondContact O-N 2.96Å
550I95.5Very high96Very high14 Ų1423.3 Ų23.37%0.07214%0.143CC..SBendtrans-81.6146.5167.8-61.3169.8000107.9L502 H509 I512 I515 S548 V552L502-I550 HydrophobicContact CD2-CD1 3.4Å; L502-I550 VanDerWaalsContact CD2-CD1 3.4Å; H509-I550 HydrophobicContact CB-CD1 4.22Å; I512-I550 HydrophobicContact CB-CD1 4.2Å; I512-I550 HydrophobicContact CB-CG2 4.41Å; I512-I550 HydrophobicContact CD1-CD1 3.9Å; I512-I550 HydrophobicContact CG2-CD1 4.33Å; I512-I550 HydrophobicContact CG2-CG2 3.85Å; I515-I550 HydrophobicContact CD1-CB 4.35Å; I515-I550 HydrophobicContact CD1-CD1 4.3Å; I515-I550 HydrophobicContact CD1-CG2 4.18Å; I515-I550 HydrophobicContact CG1-CG2 4.03Å; S548-I550 PolarHBondContact O-N 3.33Å; S548-I550 PolarHBondContact OG-N 3.11Å; I550-V552 PolarHBondContact O-N 3.37Å
551P96.3Very high95.8Very high81 Ų8123.5 Ų23.553%0.52614%0.143SC..  trans-58.9121.4175.8-2434.6000111.5R514 I515R514-P551 CarbonylContact C-O 3.51Å; R514-P551 VanDerWaalsContact CA-O 3.25Å; R514-P551 WeakPolarHBondContact CA-O 3.42Å; R514-P551 HydrophobicContact CB-CB 4.11Å; R514-P551 WeakPolarHBondContact CB-O 3.42Å; I515-P551 PolarHBondContact N-O 2.89Å
552V98Very high95.7Very high2 Ų227.5 Ų27.51%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-106.4139.8176.8-177.40000110.3I515 I517 V545 F546 I550 A656 T657I515-V552 CarbonylContact O-C 3.54Å; I515-V552 VanDerWaalsContact O-CA 3.28Å; I515-V552 WeakPolarHBondContact O-CA 3.39Å; I517-V552 HydrophobicContact CD1-CG1 4.31Å; I517-V552 HydrophobicContact CG1-CG1 4.46Å; V545-V552 HydrophobicContact CG1-CG2 4.13Å; F546-V552 HydrophobicContact CD1-CG1 4.12Å; F546-V552 HydrophobicContact CE1-CG1 3.9Å; I550-V552 PolarHBondContact O-N 3.37Å; V552-A656 HydrophobicContact CB-CB 4.13Å; V552-A656 HydrophobicContact CG1-CB 4.34Å; V552-A656 CarbonylContact O-C 3.54Å; V552-A656 VanDerWaalsContact O-CA 3.24Å; V552-A656 WeakPolarHBondContact O-CA 3.34Å; V552-T657 PolarHBondContact O-N 3.07Å
553V97.9Very high95.6Very high4 Ų427.4 Ų27.42%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-121.8126.9171.7-173.90000108.2I515 V516 I517 W615 T657 M659I515-V553 PolarHBondContact O-N 3.08Å; V516-V553 CarbonylContact C-O 3.53Å; V516-V553 WeakPolarHBondContact CA-O 3.46Å; V516-V553 HydrophobicContact CB-CB 4.44Å; V516-V553 HydrophobicContact CG1-CB 4.22Å; V516-V553 HydrophobicContact CG1-CG1 4.42Å; V516-V553 HydrophobicContact CG2-CB 4.18Å; V516-V553 HydrophobicContact CG2-CG2 4.37Å; I517-V553 PolarHBondContact N-O 2.9Å; V553-W615 HydrophobicContact CB-CH2 4.43Å; V553-W615 HydrophobicContact CB-CZ3 4.32Å; V553-W615 HydrophobicContact CG1-CD2 3.94Å; V553-W615 HydrophobicContact CG1-CE3 3.99Å; V553-W615 HydrophobicContact CG1-CH2 4.06Å; V553-W615 HydrophobicContact CG1-CZ2 3.99Å; V553-W615 HydrophobicContact CG1-CZ3 4.04Å; V553-W615 HydrophobicContact CG2-CH2 3.61Å; V553-W615 HydrophobicContact CG2-CZ2 4.23Å; V553-W615 HydrophobicContact CG2-CZ3 3.76Å; V553-T657 CarbonylContact C-O 3.58Å; V553-T657 WeakPolarHBondContact CA-O 3.25Å; V553-T657 HydrophobicContact CG1-CG2 4.35Å; V553-M659 HydrophobicContact CG1-CE 3.68Å
554M97.5Very high95.4Very high0 Ų026 Ų260%015%0.154CC..EExtended strand (participates in β ladder)trans-114.5112.9-171.5175.8-172.7151.500111I517 G519 F546 G556 V629 T657 V658 M659I517-M554 HydrophobicContact CG1-CB 4.3Å; I517-M554 HydrophobicContact CG1-CG 4.46Å; G519-M554 WeakPolarHBondContact O-CG 3.49Å; F546-M554 HydrophobicContact CE1-SD 4.34Å; F546-M554 HydrophobicContact CZ-CB 4.47Å; F546-M554 HydrophobicContact CZ-CG 4.32Å; F546-M554 HydrophobicContact CZ-SD 3.84Å; M554-G556 PolarHBondContact O-N 3.43Å; M554-V629 HydrophobicContact SD-CG1 4.42Å; M554-T657 PolarHBondContact N-O 3.28Å; M554-V658 HydrophobicContact CE-CG1 4.42Å; M554-V658 HydrophobicContact SD-CG1 4.3Å; M554-V658 HydrophobicContact SD-CG2 4.3Å; M554-M659 PolarHBondContact O-N 3.48Å
555A96.8Very high95.3Very high0 Ų023.8 Ų23.80%014%0.143CC..EExtended strand (participates in β ladder)trans-87.287164.100000109.1I517 G519 T560 C611 T612 M659I517-A555 PolarHBondContact O-N 2.77Å; G519-A555 PolarHBondContact N-O 2.87Å; G519-A555 VanDerWaalsContact N-O 3.1Å; A555-T560 HydrophobicContact CB-CG2 4.35Å; A555-C611 HydrophobicContact CB-CB 4.24Å; A555-T612 HydrophobicContact CB-CG2 4.05Å; A555-M659 HydrophobicContact CB-CE 3.81Å; A555-M659 HydrophobicContact CB-SD 3.92Å
556G95.3Very high95.1Very high0 Ų026 Ų260%015%0.153CC..  trans-87.2169.1177.800000113.6G520 M554 D558 V559 T560G520-G556 CarbonylContact O-C 3.37Å; G520-G556 WeakPolarHBondContact O-CA 3.17Å; M554-G556 PolarHBondContact O-N 3.43Å; G556-D558 PolarHBondContact O-N 3.27Å; G556-V559 VanDerWaalsContact O-CG1 3.24Å; G556-V559 WeakPolarHBondContact O-CG1 3.27Å; G556-V559 PolarHBondContact O-N 2.87Å; G556-T560 PolarHBondContact O-N 3.03Å; G556-T560 VanDerWaalsContact O-N 3.13Å
557L94.6Very high94.8Very high3 Ų329.6 Ų29.62%0.01618%0.175CC..Hα-helixtrans-56.8-25.2-179.2-61.5-175.9000114.1M518 G520 A521 L524 N526 E532 V559 T560 H561M518-L557 HydrophobicContact CE-CD2 3.9Å; G520-L557 PolarHBondContact O-N 3.2Å; A521-L557 HydrophobicContact CB-CB 4.02Å; A521-L557 HydrophobicContact CB-CD1 4.38Å; A521-L557 HydrophobicContact CB-CG 4.32Å; L524-L557 WeakPolarHBondContact O-CD1 3.45Å; N526-L557 HydrophobicContact CB-CD1 3.84Å; E532-L557 HydrophobicContact CB-CD1 3.89Å; E532-L557 HydrophobicContact CB-CG 4.18Å; E532-L557 HydrophobicContact CG-CD1 3.77Å; E532-L557 HydrophobicContact CG-CD2 3.85Å; E532-L557 HydrophobicContact CG-CG 3.7Å; L557-V559 PolarHBondContact O-N 2.9Å; L557-T560 WeakPolarHBondContact CA-OG1 3.44Å; L557-H561 VanDerWaalsContact O-CB 3.27Å; L557-H561 WeakPolarHBondContact O-CB 3.2Å; L557-H561 VanDerWaalsContact O-CG 3.23Å; L557-H561 PolarHBondContact O-N 2.85Å; L557-H561 PolarHBondContact O-ND1 2.71Å
558D92.2Very high94.7Very high45 Ų4532 Ų3224%0.24119%0.186CC..Hα-helixtrans-64.6-22177-45.7-97.5000113.5A521 M522 G523 G556 K562A521-D558 WeakPolarHBondContact CA-OD2 3.39Å; M522-D558 PolarHBondContact N-OD2 2.85Å; G523-D558 PolarHBondContact N-OD1 3.02Å; G523-D558 VanDerWaalsContact N-OD1 3.12Å; G556-D558 PolarHBondContact O-N 3.27Å; D558-K562 WeakPolarHBondContact O-CE 3.49Å; D558-K562 PolarHBondContact O-NZ 3.07Å
559V94Very high94.7Very high0 Ų031.3 Ų31.30%018%0.18CC..Hα-helixtrans-105.3-42.6171.669.60000112.7G556 L557 H561 K562 A563 F622 M659 V662G556-V559 VanDerWaalsContact O-CG1 3.24Å; G556-V559 WeakPolarHBondContact O-CG1 3.27Å; G556-V559 PolarHBondContact O-N 2.87Å; L557-V559 PolarHBondContact O-N 2.9Å; V559-H561 VanDerWaalsContact C-N 3.35Å; V559-H561 PolarHBondContact O-N 2.81Å; V559-K562 WeakPolarHBondContact O-CB 3.3Å; V559-K562 PolarHBondContact O-N 2.82Å; V559-A563 PolarHBondContact O-N 3.17Å; V559-F622 HydrophobicContact CG2-CD1 3.96Å; V559-F622 HydrophobicContact CG2-CE1 4.29Å; V559-M659 HydrophobicContact CB-CB 4.02Å; V559-M659 HydrophobicContact CG1-CB 3.51Å; V559-M659 HydrophobicContact CG1-SD 4.31Å; V559-M659 HydrophobicContact CG2-CB 4.28Å; V559-V662 HydrophobicContact CG2-CB 3.74Å; V559-V662 HydrophobicContact CG2-CG1 3.91Å
560T94.1Very high94.7Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-68.6-33.9-171.763.40000112.5M518 A555 G556 L557 K562 A563 P606 H608 C611M518-T560 HydrophobicContact CE-CG2 4.47Å; A555-T560 HydrophobicContact CB-CG2 4.35Å; G556-T560 PolarHBondContact O-N 3.03Å; G556-T560 VanDerWaalsContact O-N 3.13Å; L557-T560 WeakPolarHBondContact CA-OG1 3.44Å; T560-K562 PolarHBondContact O-N 2.81Å; T560-A563 PolarHBondContact O-N 2.79Å; T560-P606 WeakPolarHBondContact O-CB 3.19Å; T560-H608 HydrophobicContact CG2-CB 4.14Å; T560-H608 PolarHBondContact OG1-CE1 2.86Å; T560-H608 PolarHBondContact OG1-ND1 3.19Å; T560-C611 HydrophobicContact CG2-CB 4.32Å
561H93.3Very high94.5Very high47 Ų4731.7 Ų31.722%0.21816%0.162CC..THydrogen-bonded Turntrans-62.5-12.1171.9-69.1167.7000113.8L557 V559 Q564 F602 H608L557-H561 VanDerWaalsContact O-CB 3.27Å; L557-H561 WeakPolarHBondContact O-CB 3.2Å; L557-H561 VanDerWaalsContact O-CG 3.23Å; L557-H561 PolarHBondContact O-N 2.85Å; L557-H561 PolarHBondContact O-ND1 2.71Å; V559-H561 VanDerWaalsContact C-N 3.35Å; V559-H561 PolarHBondContact O-N 2.81Å; H561-Q564 WeakPolarHBondContact O-CG 3.49Å; H561-Q564 PolarHBondContact O-NE2 2.79Å; H561-F602 HydrophobicContact CB-CE1 3.81Å; H561-F602 HydrophobicContact CB-CZ 4.04Å; H561-F602 AromaticContact CD2-CZ 3.41Å; H561-F602 VanDerWaalsContact CD2-CZ 3.41Å; H561-F602 WeakPolarHBondContact CD2-CZ 3.34Å; H561-F602 AromaticContact CG-CE1 3.82Å; H561-F602 AromaticContact CG-CZ 3.57Å; H561-F602 AromaticContact ND1-CZ 3.94Å; H561-F602 AromaticContact NE2-CZ 3.71Å; H561-H608 AromaticContact CD2-CE1 3.68Å; H561-H608 AromaticContact NE2-CE1 3.86Å
562K94Very high94.3Very high84 Ų8432.2 Ų32.237%0.36515%0.153SC..THydrogen-bonded Turntrans-99.4-18.6175-54.5175.6-176.9169.20112.7D558 V559 T560 Q564 V660 D661 V662D558-K562 WeakPolarHBondContact O-CE 3.49Å; D558-K562 PolarHBondContact O-NZ 3.07Å; V559-K562 WeakPolarHBondContact O-CB 3.3Å; V559-K562 PolarHBondContact O-N 2.82Å; T560-K562 PolarHBondContact O-N 2.81Å; K562-Q564 PolarHBondContact O-N 2.86Å; K562-V660 PolarHBondContact NZ-O 2.99Å; K562-D661 WeakPolarHBondContact CD-OD1 3.34Å; K562-D661 WeakPolarHBondContact CE-OD1 3.48Å; K562-D661 IonicContact NZ-OD1 2.75Å; K562-D661 PolarHBondContact NZ-OD1 3.27Å; K562-V662 HydrophobicContact CB-CG1 3.83Å
563A94.7Very high94Very high0 Ų032.2 Ų32.20%015%0.153CC..  trans-77.254.3175.500000111.4V559 T560 L607 C611 V662 F667V559-A563 PolarHBondContact O-N 3.17Å; T560-A563 PolarHBondContact O-N 2.79Å; A563-L607 PolarHBondContact O-N 3.45Å; A563-C611 WeakPolarHBondContact CB-SG 3.33Å; A563-V662 HydrophobicContact CB-CG1 4.26Å; A563-F667 HydrophobicContact CB-CD1 4.18Å; A563-F667 HydrophobicContact CB-CE1 3.83Å; A563-F667 HydrophobicContact CB-CZ 4.13Å
564Q94.4Very high93.7Very high26 Ų2635.5 Ų35.512%0.12117%0.165CC..EExtended strand (participates in β ladder)trans-87.4129.1-174.4-66.7178.335.700112.2H561 K562 A605 P606 R664H561-Q564 WeakPolarHBondContact O-CG 3.49Å; H561-Q564 PolarHBondContact O-NE2 2.79Å; K562-Q564 PolarHBondContact O-N 2.86Å; Q564-A605 WeakPolarHBondContact CA-O 3.5Å; Q564-P606 HydrophobicContact CG-CB 4.39Å; Q564-R664 PolarHBondContact O-NH1 2.98Å
565I94.3Very high93.2Very high1 Ų139.6 Ų39.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-89120.6167.6-56.2-53.2000108.7D569 F573 L588 G604 A605 L607 F667 V668 L671I565-D569 HydrophobicContact CG2-CB 3.8Å; I565-F573 HydrophobicContact CD1-CE2 4.27Å; I565-F573 HydrophobicContact CD1-CZ 4.28Å; I565-F573 HydrophobicContact CG2-CE2 3.83Å; I565-L588 HydrophobicContact CB-CD2 4.07Å; I565-L588 HydrophobicContact CG1-CD2 4.11Å; I565-L588 HydrophobicContact CG2-CD1 3.98Å; I565-L588 HydrophobicContact CG2-CD2 4.07Å; I565-G604 CarbonylContact O-C 3.53Å; I565-G604 WeakPolarHBondContact O-CA 3.22Å; I565-A605 PolarHBondContact N-O 2.81Å; I565-A605 PolarHBondContact O-N 2.75Å; I565-L607 HydrophobicContact CD1-CD1 3.88Å; I565-L607 HydrophobicContact CG1-CD1 3.39Å; I565-L607 HydrophobicContact CG1-CG 3.75Å; I565-F667 HydrophobicContact CD1-CE1 4.23Å; I565-V668 HydrophobicContact CD1-CG2 3.65Å; I565-L671 HydrophobicContact CD1-CD1 4.06Å
566H93.8Very high92.7Very high48 Ų4841.6 Ų41.622%0.22221%0.209CC..PPolyproline II helixtrans-89.5168.5177.3-58.6175.6000110.8E568 D569 T570H566-E568 WeakPolarHBondContact CB-OE2 3.27Å; H566-E568 PolarHBondContact O-N 3.42Å; H566-D569 WeakPolarHBondContact CB-OD2 3.48Å; H566-D569 IonicContact CG-OD2 3.2Å; H566-D569 PolarHBondContact N-OD2 3Å; H566-D569 WeakPolarHBondContact O-CB 3.45Å; H566-D569 PolarHBondContact O-N 3.47Å; H566-T570 PolarHBondContact O-N 2.77Å; H566-T570 PolarHBondContact O-OG1 3.28Å
567V91.2Very high91.8Very high78 Ų7844.5 Ų44.547%0.47324%0.239SC..Hα-helixtrans-58-38.6-179.7179.70000111.4D569 T570 E571 L592V567-D569 VanDerWaalsContact C-N 3.27Å; V567-D569 PolarHBondContact O-N 3.25Å; V567-T570 PolarHBondContact O-N 2.78Å; V567-E571 WeakPolarHBondContact O-CG 3.5Å; V567-E571 PolarHBondContact O-N 3.35Å; V567-L592 HydrophobicContact CG2-CD2 3.95Å
568E93Very high90.9Very high136 Ų13645 Ų4564%0.63624%0.241SC*.Hα-helixtrans-64.7-31.1177.4-5881.9-179.300112.8H566 R572H566-E568 WeakPolarHBondContact CB-OE2 3.27Å; H566-E568 PolarHBondContact O-N 3.42Å; E568-R572 WeakPolarHBondContact O-CB 3.45Å; E568-R572 PolarHBondContact O-N 3.31Å; E568-R572 VanDerWaalsContact O-N 3.07Å
569D94.6Very high90.4Very high12 Ų1246.6 Ų46.66%0.06425%0.254CS..Hα-helixtrans-76.6-38.3176.7-51.2-56.3000110.7I565 H566 V567 R572 F573 R664 V668I565-D569 HydrophobicContact CG2-CB 3.8Å; H566-D569 WeakPolarHBondContact CB-OD2 3.48Å; H566-D569 IonicContact CG-OD2 3.2Å; H566-D569 PolarHBondContact N-OD2 3Å; H566-D569 WeakPolarHBondContact O-CB 3.45Å; H566-D569 PolarHBondContact O-N 3.47Å; V567-D569 VanDerWaalsContact C-N 3.27Å; V567-D569 PolarHBondContact O-N 3.25Å; D569-R572 WeakPolarHBondContact O-CB 3.48Å; D569-R572 PolarHBondContact O-N 2.63Å; D569-F573 WeakPolarHBondContact O-CD2 3.32Å; D569-F573 WeakPolarHBondContact O-CG 3.48Å; D569-F573 PolarHBondContact O-N 3.08Å; D569-R664 IonicContact OD1-NH1 2.95Å; D569-R664 IonicContact OD1-NH2 3.3Å; D569-R664 PolarHBondContact OD1-NH2 3.5Å; D569-R664 IonicContact OD2-CZ 2.75Å; D569-R664 IonicContact OD2-NH1 3.72Å; D569-R664 PolarHBondContact OD2-NH1 2.95Å; D569-R664 IonicContact OD2-NH2 2.97Å; D569-R664 PolarHBondContact OD2-NH2 3.27Å; D569-V668 HydrophobicContact CB-CG1 3.88Å
570T92.6Very high90.1Very high5 Ų547 Ų473%0.03126%0.256CS..Hα-helixtrans-60.7-44.2172.2-55.70000111.6H566 V567 R572 F573 R574 A585 L588H566-T570 PolarHBondContact O-N 2.77Å; H566-T570 PolarHBondContact O-OG1 3.28Å; V567-T570 PolarHBondContact O-N 2.78Å; T570-R572 VanDerWaalsContact C-N 3.32Å; T570-R572 PolarHBondContact O-N 2.89Å; T570-F573 PolarHBondContact O-N 2.98Å; T570-R574 PolarHBondContact O-N 3.06Å; T570-A585 HydrophobicContact CG2-CB 3.92Å; T570-L588 HydrophobicContact CG2-CB 4.09Å; T570-L588 HydrophobicContact CG2-CD1 4.47Å
571E92.3Very high89.9Confident94 Ų9447 Ų4744%0.43926%0.256SS..Hα-helixtrans-63.4-37173.5-66.3-58.715600112.1V567 R574 A575V567-E571 WeakPolarHBondContact O-CG 3.5Å; V567-E571 PolarHBondContact O-N 3.35Å; E571-R574 PolarHBondContact O-N 3.12Å; E571-R574 IonicContact OE1-CZ 3.19Å; E571-R574 IonicContact OE1-NH1 2.83Å; E571-R574 PolarHBondContact OE1-NH1 2.85Å; E571-R574 IonicContact OE2-CZ 2.67Å; E571-R574 IonicContact OE2-NH1 3.09Å; E571-R574 PolarHBondContact OE2-NH1 3.09Å; E571-A575 VanDerWaalsContact O-CB 3.32Å; E571-A575 WeakPolarHBondContact O-CB 3.45Å; E571-A575 PolarHBondContact O-N 3.5Å
572R92.6Very high89.6Confident91 Ų9147 Ų4734%0.34326%0.26SS..Hα-helixtrans-62.9-42.3173.8174.3-174.2172.5-174.40.5111.9E568 D569 T570 A575 D669E568-R572 WeakPolarHBondContact O-CB 3.45Å; E568-R572 PolarHBondContact O-N 3.31Å; E568-R572 VanDerWaalsContact O-N 3.07Å; D569-R572 WeakPolarHBondContact O-CB 3.48Å; D569-R572 PolarHBondContact O-N 2.63Å; T570-R572 VanDerWaalsContact C-N 3.32Å; T570-R572 PolarHBondContact O-N 2.89Å; R572-A575 PolarHBondContact O-N 3.32Å; R572-D669 IonicContact CZ-OD1 3.7Å; R572-D669 IonicContact NH1-OD1 3.85Å; R572-D669 PolarHBondContact NH1-OD1 2.89Å; R572-D669 IonicContact NH2-OD1 3.12Å; R572-D669 PolarHBondContact NH2-OD1 2.84Å
573F91.8Very high89.4Confident2 Ų243.9 Ų43.91%0.00925%0.247CC..Hα-helixtrans-63.6-47.5174.2-58.9-37.4000110.7I565 D569 T570 A575 I576 S581 V584 L588 V668 L671 A672 I675I565-F573 HydrophobicContact CD1-CE2 4.27Å; I565-F573 HydrophobicContact CD1-CZ 4.28Å; I565-F573 HydrophobicContact CG2-CE2 3.83Å; D569-F573 WeakPolarHBondContact O-CD2 3.32Å; D569-F573 WeakPolarHBondContact O-CG 3.48Å; D569-F573 PolarHBondContact O-N 3.08Å; T570-F573 PolarHBondContact O-N 2.98Å; F573-A575 PolarHBondContact O-N 2.77Å; F573-I576 VanDerWaalsContact O-CB 3.27Å; F573-I576 WeakPolarHBondContact O-CB 3.43Å; F573-I576 WeakPolarHBondContact O-CG1 3.5Å; F573-I576 PolarHBondContact O-N 2.82Å; F573-S581 WeakPolarHBondContact O-CB 3.32Å; F573-V584 HydrophobicContact CD2-CG1 4.32Å; F573-L588 HydrophobicContact CD2-CD1 3.57Å; F573-L588 HydrophobicContact CE2-CD1 3.75Å; F573-V668 HydrophobicContact CE1-CG1 4.37Å; F573-V668 HydrophobicContact CZ-CG1 4.15Å; F573-L671 HydrophobicContact CE1-CB 4.04Å; F573-L671 HydrophobicContact CZ-CB 3.93Å; F573-L671 HydrophobicContact CZ-CD1 4.45Å; F573-A672 HydrophobicContact CD1-CB 4.18Å; F573-A672 HydrophobicContact CE1-CB 3.87Å; F573-I675 HydrophobicContact CD1-CD1 4.47Å
574R90.3Very high89.3Confident74 Ų7444 Ų4428%0.27925%0.248SC..Hα-helixtrans-58.9-33.2177.7-158.9-177.9-64.7132.2-2112.7T570 E571 I576 G577 A585 D589T570-R574 PolarHBondContact O-N 3.06Å; E571-R574 PolarHBondContact O-N 3.12Å; E571-R574 IonicContact OE1-CZ 3.19Å; E571-R574 IonicContact OE1-NH1 2.83Å; E571-R574 PolarHBondContact OE1-NH1 2.85Å; E571-R574 IonicContact OE2-CZ 2.67Å; E571-R574 IonicContact OE2-NH1 3.09Å; E571-R574 PolarHBondContact OE2-NH1 3.09Å; R574-I576 VanDerWaalsContact C-N 3.26Å; R574-I576 PolarHBondContact O-N 2.87Å; R574-G577 PolarHBondContact O-N 3.35Å; R574-A585 HydrophobicContact CB-CB 3.86Å; R574-A585 HydrophobicContact CG-CB 4.22Å; R574-D589 IonicContact CZ-OD2 3.91Å; R574-D589 VanDerWaalsContact NH2-CG 3.31Å; R574-D589 IonicContact NH2-OD1 3.79Å; R574-D589 PolarHBondContact NH2-OD1 3.31Å; R574-D589 IonicContact NH2-OD2 3.75Å; R574-D589 PolarHBondContact NH2-OD2 2.74Å
575A87.7Confident89.2Confident86 Ų8642.7 Ų42.771%0.71124%0.242SC*.THydrogen-bonded Turntrans-71.1-11.6177.600000115E571 R572 F573 G577E571-A575 VanDerWaalsContact O-CB 3.32Å; E571-A575 WeakPolarHBondContact O-CB 3.45Å; E571-A575 PolarHBondContact O-N 3.5Å; R572-A575 PolarHBondContact O-N 3.32Å; F573-A575 PolarHBondContact O-N 2.77Å; A575-G577 PolarHBondContact O-N 2.83Å
576I85.4Confident89.1Confident41 Ų4146.1 Ų46.121%0.2126%0.258CS..THydrogen-bonded Turntrans-63.5-32.7169.9-63.2169.1000110.1F573 R574 N578 I675 N676F573-I576 VanDerWaalsContact O-CB 3.27Å; F573-I576 WeakPolarHBondContact O-CB 3.43Å; F573-I576 WeakPolarHBondContact O-CG1 3.5Å; F573-I576 PolarHBondContact O-N 2.82Å; R574-I576 VanDerWaalsContact C-N 3.26Å; R574-I576 PolarHBondContact O-N 2.87Å; I576-N578 VanDerWaalsContact C-N 3.3Å; I576-N578 HydrophobicContact CG2-CB 4.46Å; I576-N578 WeakPolarHBondContact CG2-ND2 3.27Å; I576-N578 PolarHBondContact O-N 2.8Å; I576-I675 HydrophobicContact CD1-CB 4.21Å; I576-I675 HydrophobicContact CD1-CG2 3.86Å; I576-N676 HydrophobicContact CD1-CB 4.17Å; I576-N676 HydrophobicContact CG1-CB 4.43Å; I576-N676 HydrophobicContact CG2-CB 4.06Å
577G77.2Confident89Confident61 Ų6143.9 Ų43.963%0.62925%0.247SC*.  trans74.912.4169.800000115.4R574 A575 S581R574-G577 PolarHBondContact O-N 3.35Å; A575-G577 PolarHBondContact O-N 2.83Å; G577-S581 PolarHBondContact N-OG 2.97Å
578N76Confident89Confident14 Ų1440.2 Ų40.28%0.07523%0.225CC..SBendtrans-96.3150.5172.879.833000111.4I576 V580 S581 T582 I675 D679I576-N578 VanDerWaalsContact C-N 3.3Å; I576-N578 HydrophobicContact CG2-CB 4.46Å; I576-N578 WeakPolarHBondContact CG2-ND2 3.27Å; I576-N578 PolarHBondContact O-N 2.8Å; N578-V580 VanDerWaalsContact C-N 3.27Å; N578-V580 PolarHBondContact O-N 3.48Å; N578-V580 PolarHBondContact OD1-N 3.05Å; N578-S581 PolarHBondContact N-OG 3.19Å; N578-S581 PolarHBondContact O-N 2.77Å; N578-S581 PolarHBondContact O-OG 3.39Å; N578-S581 WeakPolarHBondContact OD1-CB 3.29Å; N578-S581 PolarHBondContact OD1-N 2.75Å; N578-S581 PolarHBondContact OD1-OG 3.29Å; N578-T582 PolarHBondContact O-N 2.63Å; N578-T582 VanDerWaalsContact O-N 3.08Å; N578-T582 PolarHBondContact O-OG1 2.77Å; N578-I675 PolarHBondContact ND2-O 2.84Å; N578-D679 HydrophobicContact CB-CB 3.55Å
579P81.2Confident88.8Confident79 Ų7936.9 Ų36.951%0.51321%0.212SC..Hα-helixtrans-46.9-42.8179.9-33.434.3000115.4I583 D679P579-I583 WeakPolarHBondContact O-CG1 3.13Å; P579-I583 PolarHBondContact O-N 2.99Å; P579-I583 VanDerWaalsContact O-N 3.15Å; P579-D679 WeakPolarHBondContact CD-OD2 3.49Å
580V87.2Confident88.5Confident7 Ų739.4 Ų39.44%0.04222%0.222CC..Hα-helixtrans-65.3-44.4179.8-174.90000111.1V388 L424 N578 T582 I583 V584 M678V388-V580 HydrophobicContact CG1-CG1 3.83Å; V388-V580 HydrophobicContact CG2-CG1 4.07Å; L424-V580 HydrophobicContact CD2-CB 4.4Å; L424-V580 HydrophobicContact CD2-CG1 3.75Å; L424-V580 HydrophobicContact CD2-CG2 3.67Å; N578-V580 VanDerWaalsContact C-N 3.27Å; N578-V580 PolarHBondContact O-N 3.48Å; N578-V580 PolarHBondContact OD1-N 3.05Å; V580-T582 PolarHBondContact O-N 2.97Å; V580-I583 PolarHBondContact O-N 3.42Å; V580-V584 HydrophobicContact CG1-CG2 4.43Å; V580-V584 WeakPolarHBondContact O-CG2 3.4Å; V580-V584 PolarHBondContact O-N 3.39Å; V580-M678 HydrophobicContact CG1-SD 3.9Å
581S89.7Confident88.1Confident0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-65.7-36-179.271.70000113.1F573 G577 N578 A585F573-S581 WeakPolarHBondContact O-CB 3.32Å; G577-S581 PolarHBondContact N-OG 2.97Å; N578-S581 PolarHBondContact N-OG 3.19Å; N578-S581 PolarHBondContact O-N 2.77Å; N578-S581 PolarHBondContact O-OG 3.39Å; N578-S581 WeakPolarHBondContact OD1-CB 3.29Å; N578-S581 PolarHBondContact OD1-N 2.75Å; N578-S581 PolarHBondContact OD1-OG 3.29Å; S581-A585 WeakPolarHBondContact O-CB 3.28Å; S581-A585 PolarHBondContact O-N 3.34Å
582T88.3Confident87.7Confident48 Ų4835.6 Ų35.629%0.29421%0.205SC..Hα-helixtrans-64.9-45.7172.5-57.70000110.6N578 V580 A585 E586N578-T582 PolarHBondContact O-N 2.63Å; N578-T582 VanDerWaalsContact O-N 3.08Å; N578-T582 PolarHBondContact O-OG1 2.77Å; V580-T582 PolarHBondContact O-N 2.97Å; T582-A585 WeakPolarHBondContact O-CB 3.1Å; T582-A585 PolarHBondContact O-N 2.95Å; T582-E586 WeakPolarHBondContact O-CG 3.3Å; T582-E586 PolarHBondContact O-N 2.85Å
583I89.5Confident87.2Confident19 Ų1937.9 Ų37.910%0.09722%0.219CC..Hα-helixtrans-66.4-40.4178.6-75.3165.1000111.7L423 P458 L460 P579 V580 A585 E586 L587L423-I583 HydrophobicContact CD1-CD1 3.44Å; L423-I583 VanDerWaalsContact CD1-CD1 3.44Å; L423-I583 HydrophobicContact CD2-CB 4.26Å; L423-I583 HydrophobicContact CD2-CD1 3.62Å; L423-I583 HydrophobicContact CD2-CG2 3.82Å; L423-I583 HydrophobicContact CG-CD1 4.17Å; P458-I583 HydrophobicContact CB-CB 4.4Å; P458-I583 HydrophobicContact CB-CG1 4.1Å; P458-I583 HydrophobicContact CB-CG2 4.05Å; P458-I583 HydrophobicContact CG-CG2 4.15Å; L460-I583 HydrophobicContact CD2-CD1 4.32Å; L460-I583 HydrophobicContact CD2-CG2 3.64Å; P579-I583 WeakPolarHBondContact O-CG1 3.13Å; P579-I583 PolarHBondContact O-N 2.99Å; P579-I583 VanDerWaalsContact O-N 3.15Å; V580-I583 PolarHBondContact O-N 3.42Å; I583-A585 VanDerWaalsContact C-N 3.3Å; I583-A585 PolarHBondContact O-N 3.3Å; I583-E586 PolarHBondContact O-N 3.43Å; I583-L587 HydrophobicContact CG2-CD1 4.27Å; I583-L587 HydrophobicContact CG2-CG 4.44Å; I583-L587 VanDerWaalsContact O-CG 3.31Å; I583-L587 WeakPolarHBondContact O-CG 3.48Å; I583-L587 PolarHBondContact O-N 3.06Å
584V91.6Very high86.6Confident1 Ų140.9 Ų40.91%0.00623%0.231CC..Hα-helixtrans-59.8-42.4172.8168.40000110.8I385 V388 F573 V580 L587 L588 I675I385-V584 HydrophobicContact CD1-CG1 4.36Å; I385-V584 HydrophobicContact CG1-CG1 4.19Å; I385-V584 HydrophobicContact CG1-CG2 4.47Å; V388-V584 HydrophobicContact CG1-CG2 4.13Å; V388-V584 HydrophobicContact CG2-CG2 4.27Å; F573-V584 HydrophobicContact CD2-CG1 4.32Å; V580-V584 HydrophobicContact CG1-CG2 4.43Å; V580-V584 WeakPolarHBondContact O-CG2 3.4Å; V580-V584 PolarHBondContact O-N 3.39Å; V584-L587 PolarHBondContact O-N 3.34Å; V584-L588 HydrophobicContact CG1-CD1 3.87Å; V584-L588 WeakPolarHBondContact O-CB 3.14Å; V584-L588 WeakPolarHBondContact O-CD1 3.48Å; V584-L588 VanDerWaalsContact O-CG 3.26Å; V584-L588 WeakPolarHBondContact O-CG 3.37Å; V584-L588 PolarHBondContact O-N 3.27Å; V584-I675 HydrophobicContact CB-CD1 4.45Å; V584-I675 HydrophobicContact CG1-CD1 3.96Å; V584-I675 HydrophobicContact CG2-CD1 4.25Å
585A92.3Very high86.1Confident0 Ų038.1 Ų38.10%022%0.221CC..Hα-helixtrans-63.7-42.7175.500000112.4T570 R574 S581 T582 I583 L588 D589T570-A585 HydrophobicContact CG2-CB 3.92Å; R574-A585 HydrophobicContact CB-CB 3.86Å; R574-A585 HydrophobicContact CG-CB 4.22Å; S581-A585 WeakPolarHBondContact O-CB 3.28Å; S581-A585 PolarHBondContact O-N 3.34Å; T582-A585 WeakPolarHBondContact O-CB 3.1Å; T582-A585 PolarHBondContact O-N 2.95Å; I583-A585 VanDerWaalsContact C-N 3.3Å; I583-A585 PolarHBondContact O-N 3.3Å; A585-L588 WeakPolarHBondContact O-CB 3.31Å; A585-L588 PolarHBondContact O-N 3.2Å; A585-D589 VanDerWaalsContact O-CG 3.26Å; A585-D589 PolarHBondContact O-N 2.67Å
586E92.1Very high85.6Confident73 Ų7340.5 Ų40.534%0.34122%0.215SC..Hα-helixtrans-66.5-37.3177.5-73174.5177.400113P458 T582 I583 D589 F590P458-E586 VanDerWaalsContact CA-OE2 3.28Å; P458-E586 WeakPolarHBondContact CA-OE2 3.14Å; P458-E586 HydrophobicContact CB-CB 3.91Å; P458-E586 VanDerWaalsContact CB-OE2 3.26Å; P458-E586 WeakPolarHBondContact CB-OE2 3.42Å; P458-E586 HydrophobicContact CG-CB 4.5Å; T582-E586 WeakPolarHBondContact O-CG 3.3Å; T582-E586 PolarHBondContact O-N 2.85Å; I583-E586 PolarHBondContact O-N 3.43Å; E586-D589 PolarHBondContact O-N 3.3Å; E586-F590 PolarHBondContact O-N 2.81Å
587L91.6Very high85.3Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-61.7-44.4170.8-70.4171.2000110.9A384 I385 L455 P458 I583 V584 F590 F591A384-L587 HydrophobicContact CB-CD1 3.89Å; I385-L587 HydrophobicContact CG1-CD1 4.44Å; L455-L587 HydrophobicContact CB-CD2 4.31Å; L455-L587 HydrophobicContact CD2-CD2 4.03Å; P458-L587 HydrophobicContact CG-CD2 3.57Å; P458-L587 HydrophobicContact CG-CG 3.87Å; I583-L587 HydrophobicContact CG2-CD1 4.27Å; I583-L587 HydrophobicContact CG2-CG 4.44Å; I583-L587 VanDerWaalsContact O-CG 3.31Å; I583-L587 WeakPolarHBondContact O-CG 3.48Å; I583-L587 PolarHBondContact O-N 3.06Å; V584-L587 PolarHBondContact O-N 3.34Å; L587-F590 PolarHBondContact O-N 3.05Å; L587-F591 VanDerWaalsContact O-CB 3.28Å; L587-F591 WeakPolarHBondContact O-CB 3.31Å; L587-F591 PolarHBondContact O-N 3.1Å
588L91.6Very high85.3Confident2 Ų248.1 Ų48.11%0.0124%0.236CC..Hα-helixtrans-65.6-39.5178.3-75.3163.4000112.3I385 I565 T570 F573 V584 A585 F590 F591 L592 A605 L607I385-L588 HydrophobicContact CD1-CD2 3.94Å; I385-L588 HydrophobicContact CD1-CG 3.95Å; I565-L588 HydrophobicContact CB-CD2 4.07Å; I565-L588 HydrophobicContact CG1-CD2 4.11Å; I565-L588 HydrophobicContact CG2-CD1 3.98Å; I565-L588 HydrophobicContact CG2-CD2 4.07Å; T570-L588 HydrophobicContact CG2-CB 4.09Å; T570-L588 HydrophobicContact CG2-CD1 4.47Å; F573-L588 HydrophobicContact CD2-CD1 3.57Å; F573-L588 HydrophobicContact CE2-CD1 3.75Å; V584-L588 HydrophobicContact CG1-CD1 3.87Å; V584-L588 WeakPolarHBondContact O-CB 3.14Å; V584-L588 WeakPolarHBondContact O-CD1 3.48Å; V584-L588 VanDerWaalsContact O-CG 3.26Å; V584-L588 WeakPolarHBondContact O-CG 3.37Å; V584-L588 PolarHBondContact O-N 3.27Å; A585-L588 WeakPolarHBondContact O-CB 3.31Å; A585-L588 PolarHBondContact O-N 3.2Å; L588-F590 VanDerWaalsContact C-N 3.34Å; L588-F590 PolarHBondContact O-N 2.93Å; L588-F591 PolarHBondContact O-N 2.89Å; L588-L592 WeakPolarHBondContact O-CB 3.44Å; L588-L592 PolarHBondContact O-N 3.28Å; L588-A605 HydrophobicContact CD2-CB 4.45Å; L588-L607 HydrophobicContact CD2-CD1 4.46Å; L588-L607 HydrophobicContact CD2-CD2 3.99Å; L588-L607 HydrophobicContact CD2-CG 4.46Å
589D90Very high85.5Confident66 Ų6653.3 Ų53.335%0.35326%0.258SS..Hα-helixtrans-58.7-45.7177.3-73-43.5000111.5R574 A585 E586R574-D589 IonicContact CZ-OD2 3.91Å; R574-D589 VanDerWaalsContact NH2-CG 3.31Å; R574-D589 IonicContact NH2-OD1 3.79Å; R574-D589 PolarHBondContact NH2-OD1 3.31Å; R574-D589 IonicContact NH2-OD2 3.75Å; R574-D589 PolarHBondContact NH2-OD2 2.74Å; A585-D589 VanDerWaalsContact O-CG 3.26Å; A585-D589 PolarHBondContact O-N 2.67Å; E586-D589 PolarHBondContact O-N 3.3Å
590F87Confident85.5Confident64 Ų6452.7 Ų52.728%0.28125%0.245SC..Hα-helixtrans-66.2-49.8176.1-172-83.3000111.3H381 D456 E586 L587 L588 L592 E593H381-F590 AromaticContact CE1-CD1 3.4Å; H381-F590 VanDerWaalsContact CE1-CD1 3.4Å; H381-F590 WeakPolarHBondContact CE1-CD1 3.32Å; H381-F590 AromaticContact CE1-CE1 3.62Å; H381-F590 AromaticContact NE2-CD1 3.28Å; H381-F590 VanDerWaalsContact NE2-CD1 3.28Å; H381-F590 WeakPolarHBondContact NE2-CD1 3.32Å; H381-F590 AromaticContact NE2-CE1 3.82Å; H381-F590 AromaticContact NE2-CG 3.96Å; D456-F590 HydrophobicContact CB-CD2 4.09Å; D456-F590 HydrophobicContact CB-CE1 4.08Å; D456-F590 HydrophobicContact CB-CE2 3.58Å; D456-F590 HydrophobicContact CB-CZ 3.58Å; D456-F590 WeakPolarHBondContact O-CG 3.27Å; E586-F590 PolarHBondContact O-N 2.81Å; L587-F590 PolarHBondContact O-N 3.05Å; L588-F590 VanDerWaalsContact C-N 3.34Å; L588-F590 PolarHBondContact O-N 2.93Å; F590-L592 VanDerWaalsContact C-N 3.29Å; F590-L592 PolarHBondContact O-N 2.95Å; F590-E593 WeakPolarHBondContact O-CB 3.43Å; F590-E593 PolarHBondContact O-N 2.91Å
591F84.2Confident85.4Confident4 Ų455.4 Ų55.42%0.01828%0.275CS..Hα-helixtrans-66-30.1-176.2-164.2-129.8000113.3H381 D382 V449 H450 L587 L588 E593 H595 A605 P606H381-F591 HydrophobicContact CB-CB 3.98Å; H381-F591 HydrophobicContact CB-CD1 4.43Å; H381-F591 HydrophobicContact CB-CD2 3.89Å; H381-F591 HydrophobicContact CB-CE2 4.41Å; H381-F591 HydrophobicContact CB-CG 3.89Å; H381-F591 AromaticContact CG-CD2 3.98Å; H381-F591 AromaticContact ND1-CD2 3.72Å; D382-F591 HydrophobicContact CB-CE1 4.15Å; D382-F591 HydrophobicContact CB-CZ 4.39Å; D382-F591 WeakPolarHBondContact OD1-CZ 3.37Å; V449-F591 HydrophobicContact CG1-CE2 4.21Å; H450-F591 AromaticContact CE1-CE2 3.81Å; L587-F591 VanDerWaalsContact O-CB 3.28Å; L587-F591 WeakPolarHBondContact O-CB 3.31Å; L587-F591 PolarHBondContact O-N 3.1Å; L588-F591 PolarHBondContact O-N 2.89Å; F591-E593 VanDerWaalsContact C-N 3.31Å; F591-E593 PolarHBondContact O-N 2.83Å; F591-H595 AromaticContact CE1-CE1 3.86Å; F591-H595 AromaticContact CE2-CE1 3.72Å; F591-H595 AromaticContact CZ-CE1 3.6Å; F591-H595 PolarHBondContact O-ND1 3.48Å; F591-A605 HydrophobicContact CD1-CB 4.21Å; F591-P606 WeakPolarHBondContact CE1-O 3.31Å
592L85.2Confident85.2Confident16 Ų1657.4 Ų57.48%0.08428%0.284CS..Hα-helixtrans-67.1-29.2172.5-172.973.3000112.1V567 L588 F590 Y594 H595 K596 A605V567-L592 HydrophobicContact CG2-CD2 3.95Å; L588-L592 WeakPolarHBondContact O-CB 3.44Å; L588-L592 PolarHBondContact O-N 3.28Å; F590-L592 VanDerWaalsContact C-N 3.29Å; F590-L592 PolarHBondContact O-N 2.95Å; L592-Y594 VanDerWaalsContact C-N 3.35Å; L592-Y594 PolarHBondContact O-N 2.84Å; L592-H595 PolarHBondContact O-N 2.79Å; L592-K596 WeakPolarHBondContact O-CG 3.35Å; L592-K596 PolarHBondContact O-N 3.09Å; L592-A605 HydrophobicContact CB-CB 4.27Å; L592-A605 HydrophobicContact CD1-CB 3.92Å; L592-A605 VanDerWaalsContact CD1-N 3.31Å
593E81.7Confident85.1Confident139 Ų13960.6 Ų60.665%0.6530%0.303SS*.Hα-helixtrans-64.5-38-179.8-166.9165.4-160.600112.4F590 F591F590-E593 WeakPolarHBondContact O-CB 3.43Å; F590-E593 PolarHBondContact O-N 2.91Å; F591-E593 VanDerWaalsContact C-N 3.31Å; F591-E593 PolarHBondContact O-N 2.83Å
594Y78.5Confident85.1Confident65 Ų6559.8 Ų59.826%0.25530%0.299SS..Hα-helixtrans-65.3-40.3173-176.2-89.5000112.9N448 V449 L592 K596 W600N448-Y594 WeakPolarHBondContact O-CE2 3.27Å; V449-Y594 HydrophobicContact CB-CE2 4.3Å; V449-Y594 HydrophobicContact CG1-CD1 4.11Å; V449-Y594 HydrophobicContact CG1-CD2 4.41Å; V449-Y594 HydrophobicContact CG1-CE1 4.15Å; V449-Y594 HydrophobicContact CG1-CE2 4.43Å; V449-Y594 HydrophobicContact CG1-CG 4.26Å; V449-Y594 HydrophobicContact CG2-CE1 4.27Å; V449-Y594 HydrophobicContact CG2-CE2 3.89Å; L592-Y594 VanDerWaalsContact C-N 3.35Å; L592-Y594 PolarHBondContact O-N 2.84Å; Y594-K596 VanDerWaalsContact C-N 3.33Å; Y594-K596 PolarHBondContact O-N 3.36Å; Y594-W600 AromaticContact CE1-CE2 3.97Å; Y594-W600 AromaticContact CE1-CZ2 3.8Å; Y594-W600 HydrophobicContact CE1-CZ2 3.8Å; Y594-W600 AromaticContact CE1-NE1 3.6Å
595H81Confident85.1Confident16 Ų1659.8 Ų59.87%0.07430%0.299CS..Hα-helixtrans-80.1-9.4-173.6-71.7100.3000114.6F591 L592 D597 F602F591-H595 AromaticContact CE1-CE1 3.86Å; F591-H595 AromaticContact CE2-CE1 3.72Å; F591-H595 AromaticContact CZ-CE1 3.6Å; F591-H595 PolarHBondContact O-ND1 3.48Å; L592-H595 PolarHBondContact O-N 2.79Å; H595-D597 PolarHBondContact O-N 2.89Å; H595-F602 HydrophobicContact CB-CD2 4.43Å; H595-F602 AromaticContact CD2-CD2 3.79Å; H595-F602 AromaticContact CD2-CE2 3.87Å
596K77Confident85.1Confident136 Ų13659.8 Ų59.859%0.59130%0.299SS*.THydrogen-bonded Turntrans-68.3-9.2173.4-78.6165.6-171.4150.20114.8L592 Y594 E598L592-K596 WeakPolarHBondContact O-CG 3.35Å; L592-K596 PolarHBondContact O-N 3.09Å; Y594-K596 VanDerWaalsContact C-N 3.33Å; Y594-K596 PolarHBondContact O-N 3.36Å; K596-E598 PolarHBondContact O-N 3.48Å
597D78.8Confident85.1Confident72 Ų7256.3 Ų56.339%0.38528%0.283SS..SBendtrans-63.6122.1176.2-171.9-31000110.8H595 K599 W600H595-D597 PolarHBondContact O-N 2.89Å; D597-K599 HydrophobicContact CB-CD 4.42Å; D597-K599 HydrophobicContact CB-CG 4.26Å; D597-K599 PolarHBondContact O-N 3.29Å; D597-K599 WeakPolarHBondContact OD1-CB 3.2Å; D597-K599 WeakPolarHBondContact OD1-CG 3.3Å; D597-K599 PolarHBondContact OD1-N 2.89Å; D597-K599 VanDerWaalsContact OD2-CD 3.31Å; D597-K599 WeakPolarHBondContact OD2-CD 3.29Å; D597-K599 VanDerWaalsContact OD2-CE 3.27Å; D597-K599 WeakPolarHBondContact OD2-CE 3.25Å; D597-K599 IonicContact OD2-NZ 2.69Å; D597-K599 PolarHBondContact OD2-NZ 3.31Å; D597-W600 PolarHBondContact O-N 3.02Å
598E76.8Confident85.3Confident190 Ų19057 Ų5789%0.88829%0.286SS*.THydrogen-bonded Turntrans-52.7-24-177.5-71.7-170.8151.700113.6K596 W600 G601K596-E598 PolarHBondContact O-N 3.48Å; E598-W600 PolarHBondContact O-N 3.05Å; E598-G601 PolarHBondContact O-N 2.69Å
599K80.4Confident85.4Confident123 Ų12357.1 Ų57.154%0.53529%0.287SS..THydrogen-bonded Turntrans-59.7-25.3177.779.3-167.7175.9-140.20113.7D597D597-K599 HydrophobicContact CB-CD 4.42Å; D597-K599 HydrophobicContact CB-CG 4.26Å; D597-K599 PolarHBondContact O-N 3.29Å; D597-K599 WeakPolarHBondContact OD1-CB 3.2Å; D597-K599 WeakPolarHBondContact OD1-CG 3.3Å; D597-K599 PolarHBondContact OD1-N 2.89Å; D597-K599 VanDerWaalsContact OD2-CD 3.31Å; D597-K599 WeakPolarHBondContact OD2-CD 3.29Å; D597-K599 VanDerWaalsContact OD2-CE 3.27Å; D597-K599 WeakPolarHBondContact OD2-CE 3.25Å; D597-K599 IonicContact OD2-NZ 2.69Å; D597-K599 PolarHBondContact OD2-NZ 3.31Å
600W81.8Confident85.7Confident65 Ų6554 Ų5425%0.24627%0.27CS..THydrogen-bonded Turntrans-87.9-34.8-178.3-60.1128.8000113Y594 D597 E598 F602Y594-W600 AromaticContact CE1-CE2 3.97Å; Y594-W600 AromaticContact CE1-CZ2 3.8Å; Y594-W600 HydrophobicContact CE1-CZ2 3.8Å; Y594-W600 AromaticContact CE1-NE1 3.6Å; D597-W600 PolarHBondContact O-N 3.02Å; E598-W600 PolarHBondContact O-N 3.05Å; W600-F602 VanDerWaalsContact C-N 3.31Å; W600-F602 HydrophobicContact CB-CD2 3.73Å; W600-F602 HydrophobicContact CB-CE2 3.78Å; W600-F602 HydrophobicContact CB-CG 4.16Å; W600-F602 HydrophobicContact CB-CZ 4.26Å; W600-F602 HydrophobicContact CG-CD2 4.38Å; W600-F602 HydrophobicContact CG-CE2 4.2Å; W600-F602 PolarHBondContact O-N 3.04Å
601G83.4Confident86.2Confident64 Ų6451 Ų5166%0.6626%0.257SS*.  trans7020.2-178.600000115.3E598E598-G601 PolarHBondContact O-N 2.69Å
602F87.3Confident86.9Confident43 Ų4350.8 Ų50.819%0.18926%0.256CS..  trans-81.5155.7175.8-54.3-33.6000112.2H561 H595 W600 G604 P606H561-F602 HydrophobicContact CB-CE1 3.81Å; H561-F602 HydrophobicContact CB-CZ 4.04Å; H561-F602 AromaticContact CD2-CZ 3.41Å; H561-F602 VanDerWaalsContact CD2-CZ 3.41Å; H561-F602 WeakPolarHBondContact CD2-CZ 3.34Å; H561-F602 AromaticContact CG-CE1 3.82Å; H561-F602 AromaticContact CG-CZ 3.57Å; H561-F602 AromaticContact ND1-CZ 3.94Å; H561-F602 AromaticContact NE2-CZ 3.71Å; H595-F602 HydrophobicContact CB-CD2 4.43Å; H595-F602 AromaticContact CD2-CD2 3.79Å; H595-F602 AromaticContact CD2-CE2 3.87Å; W600-F602 VanDerWaalsContact C-N 3.31Å; W600-F602 HydrophobicContact CB-CD2 3.73Å; W600-F602 HydrophobicContact CB-CE2 3.78Å; W600-F602 HydrophobicContact CB-CG 4.16Å; W600-F602 HydrophobicContact CB-CZ 4.26Å; W600-F602 HydrophobicContact CG-CD2 4.38Å; W600-F602 HydrophobicContact CG-CE2 4.2Å; W600-F602 PolarHBondContact O-N 3.04Å; F602-G604 WeakPolarHBondContact CB-O 3.44Å; F602-P606 HydrophobicContact CD2-CG 3.88Å; F602-P606 HydrophobicContact CE2-CG 3.79Å
603V85.6Confident87.5Confident114 Ų11450 Ų5069%0.69125%0.252SS*.SBendtrans-101.1-29.8176.7-178.10000110.8
604G89.4Confident88.2Confident2 Ų243.4 Ų43.42%0.02122%0.221CC..SBendtrans-134.5-172.417400000112.8I565 F602 P606I565-G604 CarbonylContact O-C 3.53Å; I565-G604 WeakPolarHBondContact O-CA 3.22Å; F602-G604 WeakPolarHBondContact CB-O 3.44Å; G604-P606 WeakPolarHBondContact O-CD 3.36Å
605A90.8Very high89.1Confident1 Ų141.6 Ų41.61%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-81.7118.4177.200000109.8Q564 I565 L588 F591 L592Q564-A605 WeakPolarHBondContact CA-O 3.5Å; I565-A605 PolarHBondContact N-O 2.81Å; I565-A605 PolarHBondContact O-N 2.75Å; L588-A605 HydrophobicContact CD2-CB 4.45Å; F591-A605 HydrophobicContact CD1-CB 4.21Å; L592-A605 HydrophobicContact CB-CB 4.27Å; L592-A605 HydrophobicContact CD1-CB 3.92Å; L592-A605 VanDerWaalsContact CD1-N 3.31Å
606P92.3Very high89.9Confident0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-71.2127.3175.130.8-34000110T560 Q564 F591 F602 G604 H608T560-P606 WeakPolarHBondContact O-CB 3.19Å; Q564-P606 HydrophobicContact CG-CB 4.39Å; F591-P606 WeakPolarHBondContact CE1-O 3.31Å; F602-P606 HydrophobicContact CD2-CG 3.88Å; F602-P606 HydrophobicContact CE2-CG 3.79Å; G604-P606 WeakPolarHBondContact O-CD 3.36Å; P606-H608 PolarHBondContact O-CD2 2.77Å
607L93.5Very high90.7Very high0 Ų036.9 Ų36.90%020%0.195CC..  trans-97.2105.6175.1-73.2-175.5000110.2D382 I385 A563 I565 L588 P610 C611 F667 L671D382-L607 HydrophobicContact CB-CD2 3.84Å; I385-L607 HydrophobicContact CD1-CD1 4.36Å; I385-L607 HydrophobicContact CD1-CD2 3.69Å; I385-L607 HydrophobicContact CG2-CD1 4.08Å; A563-L607 PolarHBondContact O-N 3.45Å; I565-L607 HydrophobicContact CD1-CD1 3.88Å; I565-L607 HydrophobicContact CG1-CD1 3.39Å; I565-L607 HydrophobicContact CG1-CG 3.75Å; L588-L607 HydrophobicContact CD2-CD1 4.46Å; L588-L607 HydrophobicContact CD2-CD2 3.99Å; L588-L607 HydrophobicContact CD2-CG 4.46Å; L607-P610 HydrophobicContact CB-CB 4.49Å; L607-P610 HydrophobicContact CB-CG 4.01Å; L607-P610 HydrophobicContact CD1-CG 4.24Å; L607-C611 PolarHBondContact O-SG 3.38Å; L607-F667 HydrophobicContact CB-CE1 4.23Å; L607-F667 HydrophobicContact CB-CZ 4.08Å; L607-F667 HydrophobicContact CD1-CE1 4.32Å; L607-F667 HydrophobicContact CD1-CZ 4.43Å; L607-L671 HydrophobicContact CD1-CD1 3.86Å
608H94.1Very high91.5Very high15 Ų1537.1 Ų37.17%0.06919%0.193CC..SBendtrans-77.1-60-174.2-61.8-109.6000111.4D382 M518 T560 H561 P606 C611D382-H608 WeakPolarHBondContact OD2-CB 3.36Å; D382-H608 IonicContact OD2-CD2 3.33Å; D382-H608 PolarHBondContact OD2-CD2 3.22Å; D382-H608 IonicContact OD2-CG 4Å; D382-H608 PolarHBondContact OD2-N 2.86Å; M518-H608 HydrophobicContact CE-CB 4.08Å; M518-H608 HydrophobicContact CG-CB 3.89Å; M518-H608 HydrophobicContact SD-CB 4.16Å; T560-H608 HydrophobicContact CG2-CB 4.14Å; T560-H608 PolarHBondContact OG1-CE1 2.86Å; T560-H608 PolarHBondContact OG1-ND1 3.19Å; H561-H608 AromaticContact CD2-CE1 3.68Å; H561-H608 AromaticContact NE2-CE1 3.86Å; P606-H608 PolarHBondContact O-CD2 2.77Å; H608-C611 WeakPolarHBondContact O-CB 3.24Å; H608-C611 PolarHBondContact O-N 3.46Å
609D95.5Very high92.4Very high5 Ų530.7 Ų30.73%0.02717%0.168CC..THydrogen-bonded Turntrans-67.1-40-173.1-52.9-47.3000114.6D383 A386 T492 M518 C611 T612D383-D609 PolarHBondContact N-OD2 3.5Å; A386-D609 HydrophobicContact CB-CB 3.83Å; T492-D609 WeakPolarHBondContact CB-OD1 3.35Å; T492-D609 HydrophobicContact CG2-CB 3.63Å; M518-D609 WeakPolarHBondContact CB-OD1 3.48Å; M518-D609 WeakPolarHBondContact CG-OD1 3.4Å; D609-C611 PolarHBondContact O-N 3.45Å; D609-C611 VanDerWaalsContact O-N 3.07Å; D609-T612 WeakPolarHBondContact O-CB 3.41Å; D609-T612 PolarHBondContact O-N 2.79Å; D609-T612 PolarHBondContact O-OG1 3.24Å
610P96.4Very high93.1Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-62.9-17.9179.4-23.635.2000113.7D382 I385 A386 L607 T612 I613 A614 F667D382-P610 WeakPolarHBondContact O-CD 3.16Å; D382-P610 WeakPolarHBondContact O-CG 3.31Å; I385-P610 HydrophobicContact CB-CG 3.97Å; I385-P610 HydrophobicContact CG2-CB 4.39Å; I385-P610 HydrophobicContact CG2-CG 3.75Å; A386-P610 HydrophobicContact CB-CB 4.47Å; A386-P610 HydrophobicContact CB-CG 4.08Å; L607-P610 HydrophobicContact CB-CB 4.49Å; L607-P610 HydrophobicContact CB-CG 4.01Å; L607-P610 HydrophobicContact CD1-CG 4.24Å; P610-T612 PolarHBondContact O-N 3.39Å; P610-I613 PolarHBondContact O-N 2.99Å; P610-A614 VanDerWaalsContact O-CB 3.24Å; P610-A614 WeakPolarHBondContact O-CB 3.39Å; P610-A614 PolarHBondContact O-N 3.32Å; P610-F667 HydrophobicContact CB-CE2 4.34Å; P610-F667 HydrophobicContact CB-CZ 4.08Å
611C97.3Very high93.8Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-60-34.5170.7-69.60000112.3A555 T560 A563 L607 H608 D609 W615 F622A555-C611 HydrophobicContact CB-CB 4.24Å; T560-C611 HydrophobicContact CG2-CB 4.32Å; A563-C611 WeakPolarHBondContact CB-SG 3.33Å; L607-C611 PolarHBondContact O-SG 3.38Å; H608-C611 WeakPolarHBondContact O-CB 3.24Å; H608-C611 PolarHBondContact O-N 3.46Å; D609-C611 PolarHBondContact O-N 3.45Å; D609-C611 VanDerWaalsContact O-N 3.07Å; C611-W615 VanDerWaalsContact O-CB 3.31Å; C611-W615 WeakPolarHBondContact O-CB 3.18Å; C611-W615 PolarHBondContact O-N 3.42Å; C611-F622 HydrophobicContact CB-CE1 4.08Å; C611-F622 HydrophobicContact CB-CZ 4.33Å
612T97.5Very high94.4Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-65.3-42.7179.865.50000111.9V490 V516 M518 A555 D609 P610 L616V490-T612 WeakPolarHBondContact CG1-OG1 3.36Å; V516-T612 HydrophobicContact CG1-CG2 4.09Å; M518-T612 HydrophobicContact CB-CG2 3.94Å; A555-T612 HydrophobicContact CB-CG2 4.05Å; D609-T612 WeakPolarHBondContact O-CB 3.41Å; D609-T612 PolarHBondContact O-N 2.79Å; D609-T612 PolarHBondContact O-OG1 3.24Å; P610-T612 PolarHBondContact O-N 3.39Å; T612-L616 PolarHBondContact O-N 3.29Å
613I97.7Very high94.8Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-74.6-45.6177.7-61.8-59000110.9I373 L375 A386 L389 A390 L396 V490 P610 W615 L616 L617I373-I613 HydrophobicContact CD1-CD1 4.01Å; L375-I613 HydrophobicContact CD2-CD1 4.28Å; A386-I613 HydrophobicContact CB-CG1 4.35Å; L389-I613 HydrophobicContact CB-CG2 4.17Å; L389-I613 HydrophobicContact CD2-CB 4.14Å; L389-I613 HydrophobicContact CD2-CG2 3.79Å; L389-I613 HydrophobicContact CG-CB 4.46Å; L389-I613 HydrophobicContact CG-CG2 3.67Å; A390-I613 HydrophobicContact CB-CD1 3.88Å; A390-I613 HydrophobicContact CB-CG1 4.13Å; A390-I613 HydrophobicContact CB-CG2 4.19Å; L396-I613 HydrophobicContact CD1-CG2 3.77Å; V490-I613 HydrophobicContact CG1-CD1 4Å; V490-I613 HydrophobicContact CG2-CD1 4.24Å; P610-I613 PolarHBondContact O-N 2.99Å; I613-W615 PolarHBondContact O-N 3.08Å; I613-L616 WeakPolarHBondContact O-CB 3.04Å; I613-L616 PolarHBondContact O-N 3.07Å; I613-L617 HydrophobicContact CG2-CD1 3.95Å; I613-L617 HydrophobicContact CG2-CG 4.45Å; I613-L617 WeakPolarHBondContact O-CG 3.22Å; I613-L617 PolarHBondContact O-N 2.79Å; I613-L617 VanDerWaalsContact O-N 3.1Å
614A97.2Very high95.3Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-58.9-35.9177.500000112.4L389 P610 L616 L617 K618 F622 F667 L670L389-A614 HydrophobicContact CD2-CB 4.28Å; P610-A614 VanDerWaalsContact O-CB 3.24Å; P610-A614 WeakPolarHBondContact O-CB 3.39Å; P610-A614 PolarHBondContact O-N 3.32Å; A614-L616 VanDerWaalsContact C-N 3.35Å; A614-L617 PolarHBondContact O-N 2.83Å; A614-K618 CarbonylContact O-C 3.58Å; A614-K618 PolarHBondContact O-N 3.38Å; A614-F622 HydrophobicContact CB-CE2 3.85Å; A614-F622 HydrophobicContact CB-CZ 3.8Å; A614-F667 HydrophobicContact CB-CD2 3.67Å; A614-F667 HydrophobicContact CB-CE2 3.7Å; A614-L670 HydrophobicContact CB-CD2 3.65Å
615W97.3Very high95.5Very high27 Ų2727 Ų2710%0.10214%0.144CC..Hα-helixtrans-67.3-32174.3-176.489000113.3V516 V553 C611 I613 P619 F622 T657 M659V516-W615 HydrophobicContact CG2-CE3 4.39Å; V516-W615 HydrophobicContact CG2-CZ3 4.3Å; V553-W615 HydrophobicContact CB-CH2 4.43Å; V553-W615 HydrophobicContact CB-CZ3 4.32Å; V553-W615 HydrophobicContact CG1-CD2 3.94Å; V553-W615 HydrophobicContact CG1-CE3 3.99Å; V553-W615 HydrophobicContact CG1-CH2 4.06Å; V553-W615 HydrophobicContact CG1-CZ2 3.99Å; V553-W615 HydrophobicContact CG1-CZ3 4.04Å; V553-W615 HydrophobicContact CG2-CH2 3.61Å; V553-W615 HydrophobicContact CG2-CZ2 4.23Å; V553-W615 HydrophobicContact CG2-CZ3 3.76Å; C611-W615 VanDerWaalsContact O-CB 3.31Å; C611-W615 WeakPolarHBondContact O-CB 3.18Å; C611-W615 PolarHBondContact O-N 3.42Å; I613-W615 PolarHBondContact O-N 3.08Å; W615-P619 HydrophobicContact CD2-CB 4.43Å; W615-P619 HydrophobicContact CZ2-CB 4.46Å; W615-P619 WeakPolarHBondContact O-CA 3.34Å; W615-P619 WeakPolarHBondContact O-CB 3.3Å; W615-P619 WeakPolarHBondContact O-CD 3.27Å; W615-F622 HydrophobicContact CB-CD2 3.97Å; W615-F622 HydrophobicContact CB-CE2 4.01Å; W615-F622 AromaticContact CD1-CD2 3.87Å; W615-F622 AromaticContact CD1-CG 3.9Å; W615-F622 HydrophobicContact CG-CD2 4.34Å; W615-T657 HydrophobicContact CZ2-CG2 4.45Å; W615-M659 HydrophobicContact CB-CE 3.58Å; W615-M659 HydrophobicContact CB-SD 4.15Å; W615-M659 HydrophobicContact CD2-CE 4.14Å; W615-M659 HydrophobicContact CG-CE 3.55Å; W615-M659 HydrophobicContact CG-SD 4.17Å
616L96.8Very high95.8Very high23 Ų2331.4 Ų31.412%0.1217%0.165CC..Hα-helixtrans-71.1-33174.1-71.4174.1000112.6L371 I373 L396 T488 V490 V516 T612 I613 A614L371-L616 HydrophobicContact CD2-CD2 3.96Å; I373-L616 HydrophobicContact CG2-CD1 4.23Å; L396-L616 HydrophobicContact CD2-CB 4.34Å; T488-L616 HydrophobicContact CG2-CD1 4.16Å; T488-L616 HydrophobicContact CG2-CD2 4.16Å; V490-L616 HydrophobicContact CG2-CD1 3.64Å; V516-L616 HydrophobicContact CG2-CD1 4.37Å; V516-L616 HydrophobicContact CG2-CD2 3.93Å; V516-L616 HydrophobicContact CG2-CG 4.26Å; T612-L616 PolarHBondContact O-N 3.29Å; I613-L616 WeakPolarHBondContact O-CB 3.04Å; I613-L616 PolarHBondContact O-N 3.07Å; A614-L616 VanDerWaalsContact C-N 3.35Å
617L95.6Very high95.9Very high31 Ų3132.8 Ų32.816%0.16217%0.17CC..Hα-helixtrans-79.9-48.2179.9-63.9169.8000112.7L389 S393 E395 L396 I613 A614 L670L389-L617 HydrophobicContact CD1-CD1 4.03Å; L389-L617 HydrophobicContact CD2-CD1 4.28Å; L389-L617 HydrophobicContact CG-CD1 4.02Å; S393-L617 VanDerWaalsContact OG-CD1 3.24Å; S393-L617 WeakPolarHBondContact OG-CD1 3.46Å; E395-L617 HydrophobicContact CB-CD2 3.94Å; L396-L617 HydrophobicContact CD1-CD2 3.89Å; L396-L617 HydrophobicContact CD1-CG 4.24Å; L396-L617 HydrophobicContact CD2-CD2 4.18Å; L396-L617 HydrophobicContact CG-CD2 3.78Å; I613-L617 HydrophobicContact CG2-CD1 3.95Å; I613-L617 HydrophobicContact CG2-CG 4.45Å; I613-L617 WeakPolarHBondContact O-CG 3.22Å; I613-L617 PolarHBondContact O-N 2.79Å; I613-L617 VanDerWaalsContact O-N 3.1Å; A614-L617 PolarHBondContact O-N 2.83Å; L617-L670 HydrophobicContact CB-CD2 4.32Å; L617-L670 HydrophobicContact CD1-CD1 4.48Å; L617-L670 HydrophobicContact CD1-CD2 4.14Å
618K95.4Very high96.1Very high77 Ų7735 Ų3534%0.33518%0.178SC..  trans-141.776-175.6-67.2-167.2-173.5169.40110.4A614 E620 L621 L670A614-K618 CarbonylContact O-C 3.58Å; A614-K618 PolarHBondContact O-N 3.38Å; K618-E620 VanDerWaalsContact CA-OE2 3.3Å; K618-E620 WeakPolarHBondContact CA-OE2 3.48Å; K618-E620 WeakPolarHBondContact CB-OE1 3.21Å; K618-E620 PolarHBondContact O-N 3.18Å; K618-E620 VanDerWaalsContact O-N 3.11Å; K618-L621 HydrophobicContact CB-CD1 3.81Å; K618-L621 HydrophobicContact CB-CG 3.83Å; K618-L621 HydrophobicContact CD-CD1 4.3Å; K618-L621 WeakPolarHBondContact O-CB 3.39Å; K618-L621 PolarHBondContact O-N 3.1Å; K618-L670 HydrophobicContact CD-CD1 3.91Å; K618-L670 HydrophobicContact CG-CD1 4.21Å
619P94.9Very high96.2Very high55 Ų5534.3 Ų34.336%0.35718%0.175SC..G310 helixtrans-59.5-22.9179.824.6-34000112.9W615 L621 F622W615-P619 HydrophobicContact CD2-CB 4.43Å; W615-P619 HydrophobicContact CZ2-CB 4.46Å; W615-P619 WeakPolarHBondContact O-CA 3.34Å; W615-P619 WeakPolarHBondContact O-CB 3.3Å; W615-P619 WeakPolarHBondContact O-CD 3.27Å; P619-L621 PolarHBondContact O-N 3.22Å; P619-F622 PolarHBondContact O-N 3.23Å
620E95.1Very high96.2Very high140 Ų14034.2 Ų34.265%0.65418%0.175SC*.G310 helixtrans-67-16.7175.672.3-79.3-173.600114.6K618 F622K618-E620 VanDerWaalsContact CA-OE2 3.3Å; K618-E620 WeakPolarHBondContact CA-OE2 3.48Å; K618-E620 WeakPolarHBondContact CB-OE1 3.21Å; K618-E620 PolarHBondContact O-N 3.18Å; K618-E620 VanDerWaalsContact O-N 3.11Å; E620-F622 PolarHBondContact O-N 3.18Å
621L95.7Very high96.2Very high20 Ų2034.7 Ų34.711%0.10518%0.178CC..G310 helixtrans-68.7-15169-65.8178.4000112.2K618 P619 V662 D663 L670K618-L621 HydrophobicContact CB-CD1 3.81Å; K618-L621 HydrophobicContact CB-CG 3.83Å; K618-L621 HydrophobicContact CD-CD1 4.3Å; K618-L621 WeakPolarHBondContact O-CB 3.39Å; K618-L621 PolarHBondContact O-N 3.1Å; P619-L621 PolarHBondContact O-N 3.22Å; L621-V662 CarbonylContact O-C 3.32Å; L621-V662 VanDerWaalsContact O-CA 3.31Å; L621-V662 WeakPolarHBondContact O-CA 3.2Å; L621-D663 HydrophobicContact CD2-CB 4.28Å; L621-D663 PolarHBondContact O-N 3.14Å; L621-L670 HydrophobicContact CD1-CB 4.4Å; L621-L670 HydrophobicContact CD1-CD2 4.1Å
622F97Very high96.2Very high11 Ų1138 Ų385%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-118.6135.5-172.2-61.5-92.4000111.7V559 C611 A614 W615 P619 E620 M659 D661 V662 F667V559-F622 HydrophobicContact CG2-CD1 3.96Å; V559-F622 HydrophobicContact CG2-CE1 4.29Å; C611-F622 HydrophobicContact CB-CE1 4.08Å; C611-F622 HydrophobicContact CB-CZ 4.33Å; A614-F622 HydrophobicContact CB-CE2 3.85Å; A614-F622 HydrophobicContact CB-CZ 3.8Å; W615-F622 HydrophobicContact CB-CD2 3.97Å; W615-F622 HydrophobicContact CB-CE2 4.01Å; W615-F622 AromaticContact CD1-CD2 3.87Å; W615-F622 AromaticContact CD1-CG 3.9Å; W615-F622 HydrophobicContact CG-CD2 4.34Å; P619-F622 PolarHBondContact O-N 3.23Å; E620-F622 PolarHBondContact O-N 3.18Å; F622-M659 HydrophobicContact CD1-SD 3.82Å; F622-M659 HydrophobicContact CE1-SD 4.21Å; F622-M659 HydrophobicContact CG-SD 4.28Å; F622-D661 CarbonylContact C-O 3.59Å; F622-D661 WeakPolarHBondContact CA-O 3.36Å; F622-V662 HydrophobicContact CD1-CB 3.89Å; F622-V662 HydrophobicContact CD1-CG2 3.83Å; F622-V662 HydrophobicContact CE1-CB 3.93Å; F622-V662 HydrophobicContact CE1-CG2 3.5Å; F622-V662 HydrophobicContact CZ-CG2 3.94Å; F622-F667 HydrophobicContact CZ-CD2 4.23Å
623T96.5Very high96.1Very high81 Ų8139.6 Ų39.650%0.49720%0.203SC..EExtended strand (participates in β ladder)trans-84.9125.9163.9-590000108.5V660 D661T623-V660 HydrophobicContact CG2-CG2 3.74Å; T623-V660 WeakPolarHBondContact O-CG2 3.39Å; T623-V660 PolarHBondContact O-N 2.85Å; T623-D661 PolarHBondContact N-O 2.97Å; T623-D661 PolarHBondContact O-N 2.71Å
624S95.1Very high95.8Very high52 Ų5247.8 Ų47.836%0.36424%0.241SC..EExtended strand (participates in β ladder)trans-130.3153.8-177.956.40000112.8V658S624-V658 CarbonylContact C-O 3.52Å; S624-V658 VanDerWaalsContact CA-O 3.27Å; S624-V658 WeakPolarHBondContact CA-O 2.9Å
625V94.3Very high95.5Very high30 Ų3048.5 Ų48.518%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-138.4131-178-63.30000112.1R627 V658 V660V625-R627 HydrophobicContact CG2-CG 4.13Å; V625-R627 PolarHBondContact O-N 3.46Å; V625-V658 HydrophobicContact CG2-CB 4.21Å; V625-V658 PolarHBondContact N-O 3.1Å; V625-V658 PolarHBondContact O-N 3.43Å; V625-V660 HydrophobicContact CG1-CG2 4.32Å; V625-V660 HydrophobicContact CG2-CG1 3.79Å
626E95.9Very high95.1Very high93 Ų9355.3 Ų55.344%0.43528%0.279SS..EExtended strand (participates in β ladder)trans-71.9117.6173.1-66.2-56.2121.600110.8P654 T657E626-P654 HydrophobicContact CB-CB 4.08Å; E626-P654 HydrophobicContact CB-CG 4.35Å; E626-T657 WeakPolarHBondContact OE1-CA 3.31Å; E626-T657 VanDerWaalsContact OE1-CB 3.26Å; E626-T657 WeakPolarHBondContact OE1-CB 3.19Å; E626-T657 WeakPolarHBondContact OE1-CG2 3.46Å; E626-T657 PolarHBondContact OE1-OG1 3.33Å
627R95.1Very high94.9Very high28 Ų2862.6 Ų62.611%0.10631%0.306CS..EExtended strand (participates in β ladder)trans-140.1162.8177.8-69.8-59.7-176.5-70.7-8.4112.5V625 V644 D645 Y646 Y648 P654 N655 A656 V658V625-R627 HydrophobicContact CG2-CG 4.13Å; V625-R627 PolarHBondContact O-N 3.46Å; R627-V644 HydrophobicContact CB-CG1 3.81Å; R627-V644 HydrophobicContact CG-CG1 4.12Å; R627-D645 WeakPolarHBondContact CD-O 3.19Å; R627-Y646 PolarHBondContact NE-O 2.87Å; R627-Y646 PolarHBondContact NH2-O 3.31Å; R627-Y648 PolarHBondContact NH1-OH 2.86Å; R627-P654 VanDerWaalsContact O-CA 3.29Å; R627-P654 WeakPolarHBondContact O-CA 3.21Å; R627-N655 PolarHBondContact O-N 3.49Å; R627-N655 PolarHBondContact O-OD1 2.99Å; R627-A656 PolarHBondContact N-O 3.24Å; R627-A656 PolarHBondContact O-N 2.97Å; R627-A656 VanDerWaalsContact O-N 3.11Å; R627-V658 HydrophobicContact CB-CG2 4.35Å
628W96.8Very high94.8Very high48 Ų4863.4 Ų63.418%0.18231%0.313CS..  trans-83.7134.7164-177.779.5000109V643 D645 T650 N652 K653 N655W628-V643 HydrophobicContact CZ3-CG1 4.49Å; W628-D645 HydrophobicContact CB-CB 4.32Å; W628-D645 HydrophobicContact CE3-CB 4.19Å; W628-D645 PolarHBondContact O-N 3.39Å; W628-T650 HydrophobicContact CE3-CG2 4.34Å; W628-T650 HydrophobicContact CZ3-CG2 4.44Å; W628-N652 HydrophobicContact CB-CB 3.92Å; W628-N652 HydrophobicContact CD2-CB 3.92Å; W628-N652 VanDerWaalsContact CE2-ND2 3.29Å; W628-N652 HydrophobicContact CG-CB 3.48Å; W628-N652 VanDerWaalsContact CG-CB 3.48Å; W628-K653 VanDerWaalsContact CD1-O 3.31Å; W628-N655 VanDerWaalsContact CA-OD1 3.28Å; W628-N655 WeakPolarHBondContact CA-OD1 3.5Å
629V96.7Very high94.7Very high0 Ų062.2 Ų62.20%031%0.308CS..EExtended strand (participates in β ladder)trans-131.4132.3177.9-172.10000108.1F546 M554 T642 V643 V644 N655 A656 V658F546-V629 HydrophobicContact CD1-CB 3.8Å; F546-V629 HydrophobicContact CD1-CG1 4.02Å; F546-V629 HydrophobicContact CD2-CG1 4.32Å; F546-V629 HydrophobicContact CE1-CB 3.74Å; F546-V629 HydrophobicContact CE1-CG1 3.69Å; F546-V629 HydrophobicContact CE1-CG2 4.21Å; F546-V629 HydrophobicContact CE2-CG1 4.03Å; F546-V629 HydrophobicContact CG-CB 4.39Å; F546-V629 HydrophobicContact CG-CG1 4.32Å; F546-V629 HydrophobicContact CZ-CB 4.27Å; F546-V629 HydrophobicContact CZ-CG1 3.69Å; M554-V629 HydrophobicContact SD-CG1 4.42Å; V629-T642 HydrophobicContact CG1-CG2 4.16Å; V629-V643 WeakPolarHBondContact CA-O 3.33Å; V629-V644 HydrophobicContact CG1-CG2 4.15Å; V629-V644 HydrophobicContact CG2-CB 4.48Å; V629-V644 HydrophobicContact CG2-CG1 4.26Å; V629-V644 HydrophobicContact CG2-CG2 4Å; V629-N655 PolarHBondContact N-OD1 3.16Å; V629-N655 PolarHBondContact O-ND2 3.44Å; V629-N655 PolarHBondContact O-OD1 3.11Å; V629-A656 HydrophobicContact CG2-CB 4.01Å; V629-V658 HydrophobicContact CG2-CG2 3.81Å
630G95.8Very high94.7Very high2 Ų259.6 Ų59.62%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-131.4168.2165.300000110.4E543 T642 V643E543-G630 WeakPolarHBondContact OE2-CA 3.37Å; G630-T642 CarbonylContact O-C 3.44Å; G630-T642 WeakPolarHBondContact O-CA 3.28Å; G630-V643 PolarHBondContact N-O 2.83Å; G630-V643 PolarHBondContact O-N 2.78Å
631V96.9Very high94.7Very high11 Ų1155.6 Ų55.67%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-116.2127.7-178.5-174.80000110.4I535 P539 A542 E543 F546 T633 T642I535-V631 HydrophobicContact CG2-CG1 3.56Å; I535-V631 HydrophobicContact CG2-CG2 4.15Å; P539-V631 HydrophobicContact CB-CG1 4.04Å; A542-V631 HydrophobicContact CB-CG2 3.92Å; E543-V631 HydrophobicContact CB-CB 4.12Å; E543-V631 PolarHBondContact OE2-N 2.74Å; F546-V631 HydrophobicContact CD2-CG2 3.77Å; F546-V631 HydrophobicContact CE2-CG2 4.13Å; V631-T633 PolarHBondContact O-N 2.67Å; V631-T642 HydrophobicContact CG2-CG2 4.29Å
632E96.2Very high94.7Very high69 Ų6954.9 Ų54.932%0.32227%0.269SS..  trans-73.3116.2172.8170.459.9-94.300109.8Q634 G635 T638 Q639 G640 M641E632-Q634 WeakPolarHBondContact OE1-CA 3.22Å; E632-Q634 PolarHBondContact OE1-N 2.85Å; E632-G635 VanDerWaalsContact CD-N 3.35Å; E632-G635 PolarHBondContact OE1-N 3.4Å; E632-T638 WeakPolarHBondContact CB-O 3.05Å; E632-T638 WeakPolarHBondContact CG-O 3.42Å; E632-T638 WeakPolarHBondContact CG-OG1 3.49Å; E632-Q639 CarbonylContact O-C 3.59Å; E632-Q639 VanDerWaalsContact O-CA 3.3Å; E632-Q639 WeakPolarHBondContact O-CA 3.25Å; E632-G640 PolarHBondContact O-N 2.87Å; E632-M641 HydrophobicContact CB-CB 4.38Å; E632-M641 PolarHBondContact N-O 2.93Å
633T95.5Very high94.6Very high33 Ų3357.5 Ų57.520%0.20229%0.286CS..SBendtrans-103.5-14.5-174.749.50000113.6P539 E540 E543 V631 Q639P539-T633 HydrophobicContact CB-CG2 4.13Å; E540-T633 HydrophobicContact CG-CG2 4.22Å; E543-T633 HydrophobicContact CB-CG2 4.32Å; V631-T633 PolarHBondContact O-N 2.67Å; T633-Q639 PolarHBondContact O-NE2 3.4Å
634Q92.4Very high94.5Very high173 Ų17354.8 Ų54.881%0.80827%0.269SS*.SBendtrans-123.2-14.5-170-57.7-175.318.900114.2E632 K636E632-Q634 WeakPolarHBondContact OE1-CA 3.22Å; E632-Q634 PolarHBondContact OE1-N 2.85Å; Q634-K636 PolarHBondContact O-N 2.89Å
635G89.7Confident94.5Very high15 Ų1552.9 Ų52.916%0.15526%0.255CS..  trans-67.5125.4-174.500000114.7E632 Y637 T638 Q639E632-G635 VanDerWaalsContact CD-N 3.35Å; E632-G635 PolarHBondContact OE1-N 3.4Å; G635-Y637 PolarHBondContact O-N 2.6Å; G635-T638 WeakPolarHBondContact CA-OG1 3.38Å; G635-T638 PolarHBondContact O-N 2.93Å; G635-T638 VanDerWaalsContact O-N 3.14Å; G635-Q639 WeakPolarHBondContact O-CB 3.12Å; G635-Q639 PolarHBondContact O-N 3.1Å
636K90Very high94.2Very high170 Ų17056.3 Ų56.374%0.73927%0.266SS*.THydrogen-bonded Turntrans-52.5-35.2-175.9-173-172.2176-160.40115.1Q634Q634-K636 PolarHBondContact O-N 2.89Å
637Y91.9Very high93.9Very high176 Ų17660.1 Ų60.169%0.6928%0.277SS*.THydrogen-bonded Turntrans-119.23-179-54.4-58.4000112.9G635G635-Y637 PolarHBondContact O-N 2.6Å
638T94.2Very high93.6Very high48 Ų4865 Ų6529%0.29430%0.296SS..THydrogen-bonded Turntrans-133.52.8-169.147.60000112.3A530 E632 G635 G640 M641A530-T638 HydrophobicContact CB-CG2 4.25Å; E632-T638 WeakPolarHBondContact CB-O 3.05Å; E632-T638 WeakPolarHBondContact CG-O 3.42Å; E632-T638 WeakPolarHBondContact CG-OG1 3.49Å; G635-T638 WeakPolarHBondContact CA-OG1 3.38Å; G635-T638 PolarHBondContact O-N 2.93Å; G635-T638 VanDerWaalsContact O-N 3.14Å; T638-G640 PolarHBondContact O-N 3.31Å; T638-M641 HydrophobicContact CG2-SD 4.04Å; T638-M641 WeakPolarHBondContact O-CB 3.38Å; T638-M641 PolarHBondContact O-N 2.88Å
639Q93.5Very high93.4Very high51 Ų5169.6 Ų69.624%0.23832%0.324CS..THydrogen-bonded Turntrans-56.2125.1170.6179.2172.560.800109.7R441 Y536 P539 E632 T633 G635R441-Q639 VanDerWaalsContact CZ-OE1 3.32Å; Y536-Q639 WeakPolarHBondContact CD2-O 3.37Å; P539-Q639 HydrophobicContact CG-CG 3.93Å; E632-Q639 CarbonylContact O-C 3.59Å; E632-Q639 VanDerWaalsContact O-CA 3.3Å; E632-Q639 WeakPolarHBondContact O-CA 3.25Å; T633-Q639 PolarHBondContact O-NE2 3.4Å; G635-Q639 WeakPolarHBondContact O-CB 3.12Å; G635-Q639 PolarHBondContact O-N 3.1Å
640G93.7Very high93.1Very high0 Ų073 Ų730%035%0.345CS..THydrogen-bonded Turntrans87.32.7-171.600000114.9A531 I535 E632 T638A531-G640 VanDerWaalsContact CB-C 3.45Å; A531-G640 WeakPolarHBondContact CB-O 3.42Å; I535-G640 WeakPolarHBondContact CG2-O 3.44Å; E632-G640 PolarHBondContact O-N 2.87Å; T638-G640 PolarHBondContact O-N 3.31Å
641M96Very high92.7Very high57 Ų5776.3 Ų76.328%0.28138%0.379SS..  trans-77.2123.6176.1-177.3177.4-175.300110.9A530 E632 T638 V643A530-M641 HydrophobicContact CB-CB 4.37Å; A530-M641 HydrophobicContact CB-CG 4.48Å; A530-M641 HydrophobicContact CB-SD 4.25Å; A530-M641 WeakPolarHBondContact O-CA 3.44Å; A530-M641 VanDerWaalsContact O-CB 3.25Å; A530-M641 WeakPolarHBondContact O-CB 3.41Å; A530-M641 VanDerWaalsContact O-CG 3.28Å; A530-M641 WeakPolarHBondContact O-CG 3.23Å; E632-M641 HydrophobicContact CB-CB 4.38Å; E632-M641 PolarHBondContact N-O 2.93Å; T638-M641 HydrophobicContact CG2-SD 4.04Å; T638-M641 WeakPolarHBondContact O-CB 3.38Å; T638-M641 PolarHBondContact O-N 2.88Å; M641-V643 PolarHBondContact O-N 3.42Å
642T96Very high92.5Very high4 Ų479.3 Ų79.33%0.02540%0.395CS..EExtended strand (participates in β ladder)trans-75.7112.3167.3380000110.7A521 I535 F546 V629 G630 V631 V644A521-T642 PolarHBondContact N-OG1 2.76Å; A521-T642 PolarHBondContact O-OG1 2.69Å; I535-T642 HydrophobicContact CG1-CG2 4.22Å; I535-T642 HydrophobicContact CG2-CG2 4.28Å; F546-T642 HydrophobicContact CE2-CG2 4.13Å; F546-T642 HydrophobicContact CZ-CG2 4.5Å; V629-T642 HydrophobicContact CG1-CG2 4.16Å; G630-T642 CarbonylContact O-C 3.44Å; G630-T642 WeakPolarHBondContact O-CA 3.28Å; V631-T642 HydrophobicContact CG2-CG2 4.29Å; T642-V644 PolarHBondContact O-N 3.44Å
643V94.9Very high92.4Very high66 Ų6684.9 Ų84.940%0.442%0.418SS..EExtended strand (participates in β ladder)trans-89.389.8178.7-175.50000109.1W628 V629 G630 M641W628-V643 HydrophobicContact CZ3-CG1 4.49Å; V629-V643 WeakPolarHBondContact CA-O 3.33Å; G630-V643 PolarHBondContact N-O 2.83Å; G630-V643 PolarHBondContact O-N 2.78Å; M641-V643 PolarHBondContact O-N 3.42Å
644V94.8Very high92.3Very high24 Ų2486.2 Ų86.215%0.14543%0.427CS..EExtended strand (participates in β ladder)trans-85.4118177.8-173.90000110.3M522 R627 V629 T642 Y646 V658M522-V644 HydrophobicContact CG-CB 3.88Å; M522-V644 HydrophobicContact CG-CG1 3.95Å; M522-V644 HydrophobicContact CG-CG2 3.72Å; M522-V644 HydrophobicContact SD-CG1 4.37Å; R627-V644 HydrophobicContact CB-CG1 3.81Å; R627-V644 HydrophobicContact CG-CG1 4.12Å; V629-V644 HydrophobicContact CG1-CG2 4.15Å; V629-V644 HydrophobicContact CG2-CB 4.48Å; V629-V644 HydrophobicContact CG2-CG1 4.26Å; V629-V644 HydrophobicContact CG2-CG2 4Å; T642-V644 PolarHBondContact O-N 3.44Å; V644-Y646 PolarHBondContact O-N 3.13Å; V644-V658 HydrophobicContact CG1-CG2 4.38Å
645D93.5Very high92.5Very high13 Ų1379.5 Ų79.57%0.0740%0.397CS..  trans-78.863.6179.9-172.915.9000112.5R627 W628 Y647 Y648 L649 T650R627-D645 WeakPolarHBondContact CD-O 3.19Å; W628-D645 HydrophobicContact CB-CB 4.32Å; W628-D645 HydrophobicContact CE3-CB 4.19Å; W628-D645 PolarHBondContact O-N 3.39Å; D645-Y647 PolarHBondContact O-N 2.79Å; D645-Y647 VanDerWaalsContact O-N 3.07Å; D645-Y648 PolarHBondContact O-N 2.83Å; D645-Y648 VanDerWaalsContact O-N 3.08Å; D645-Y648 PolarHBondContact OD1-N 3.16Å; D645-Y648 VanDerWaalsContact OD2-C 3.28Å; D645-Y648 VanDerWaalsContact OD2-CA 3.32Å; D645-Y648 WeakPolarHBondContact OD2-CA 3.28Å; D645-L649 VanDerWaalsContact CG-N 3.29Å; D645-L649 PolarHBondContact OD1-N 3.4Å; D645-L649 PolarHBondContact OD2-N 2.87Å; D645-T650 HydrophobicContact CB-CG2 4.09Å; D645-T650 VanDerWaalsContact OD2-CB 3.29Å; D645-T650 WeakPolarHBondContact OD2-CB 3.22Å; D645-T650 WeakPolarHBondContact OD2-CG2 3.43Å; D645-T650 PolarHBondContact OD2-N 3.31Å; D645-T650 PolarHBondContact OD2-OG1 3.22Å
646Y87.6Confident92.8Very high101 Ų10178.9 Ų78.940%0.39639%0.39SS..THydrogen-bonded Turntrans-56.2-30.5-171.3-173.7-105.2000114.4M522 R627 V644M522-Y646 HydrophobicContact CE-CD2 3.28Å; M522-Y646 HydrophobicContact CE-CE2 3.62Å; M522-Y646 HydrophobicContact CE-CG 3.96Å; M522-Y646 HydrophobicContact SD-CD2 4.35Å; R627-Y646 PolarHBondContact NE-O 2.87Å; R627-Y646 PolarHBondContact NH2-O 3.31Å; V644-Y646 PolarHBondContact O-N 3.13Å
647Y90.1Very high93.1Very high173 Ų17371.9 Ų71.968%0.67836%0.362SS*.THydrogen-bonded Turntrans-104.58.7-177.5-63.2-73.8000114.1D645 L649D645-Y647 PolarHBondContact O-N 2.79Å; D645-Y647 VanDerWaalsContact O-N 3.07Å; Y647-L649 VanDerWaalsContact C-N 3.34Å; Y647-L649 PolarHBondContact O-N 2.87Å
648Y88.9Confident93.3Very high130 Ų13063.5 Ų63.551%0.5133%0.329SS..  trans58.437.9-179.4-51.4-86.5000114.4R627 D645 P654R627-Y648 PolarHBondContact NH1-OH 2.86Å; D645-Y648 PolarHBondContact O-N 2.83Å; D645-Y648 VanDerWaalsContact O-N 3.08Å; D645-Y648 PolarHBondContact OD1-N 3.16Å; D645-Y648 VanDerWaalsContact OD2-C 3.28Å; D645-Y648 VanDerWaalsContact OD2-CA 3.32Å; D645-Y648 WeakPolarHBondContact OD2-CA 3.28Å; Y648-P654 HydrophobicContact CE1-CG 4.48Å
649L92.2Very high93.4Very high146 Ų14661.2 Ų61.276%0.76432%0.315SS*.  trans-78.7-24.2-176.6-57.8177.5000113.7D645 Y647D645-L649 VanDerWaalsContact CG-N 3.29Å; D645-L649 PolarHBondContact OD1-N 3.4Å; D645-L649 PolarHBondContact OD2-N 2.87Å; Y647-L649 VanDerWaalsContact C-N 3.34Å; Y647-L649 PolarHBondContact O-N 2.87Å
650T90.1Very high93.5Very high71 Ų7160.2 Ų60.244%0.43631%0.312SS..SBendtrans-80.2-26.2-177.764.20000112.9W628 D645 N652W628-T650 HydrophobicContact CE3-CG2 4.34Å; W628-T650 HydrophobicContact CZ3-CG2 4.44Å; D645-T650 HydrophobicContact CB-CG2 4.09Å; D645-T650 VanDerWaalsContact OD2-CB 3.29Å; D645-T650 WeakPolarHBondContact OD2-CB 3.22Å; D645-T650 WeakPolarHBondContact OD2-CG2 3.43Å; D645-T650 PolarHBondContact OD2-N 3.31Å; D645-T650 PolarHBondContact OD2-OG1 3.22Å; T650-N652 PolarHBondContact O-N 3.43Å; T650-N652 WeakPolarHBondContact OG1-CB 3.35Å; T650-N652 PolarHBondContact OG1-N 3.42Å; T650-N652 VanDerWaalsContact OG1-N 3.1Å
651G89.3Confident93.6Very high71 Ų7163.7 Ų63.773%0.73233%0.33SS*.  trans73.73.8-168.600000114.4
652N92.8Very high93.6Very high75 Ų7561.8 Ų61.840%0.40132%0.322SS..PPolyproline II helixtrans-67.6151.6172.5-67.7-26.1000110.6W628 T650W628-N652 HydrophobicContact CB-CB 3.92Å; W628-N652 HydrophobicContact CD2-CB 3.92Å; W628-N652 VanDerWaalsContact CE2-ND2 3.29Å; W628-N652 HydrophobicContact CG-CB 3.48Å; W628-N652 VanDerWaalsContact CG-CB 3.48Å; T650-N652 PolarHBondContact O-N 3.43Å; T650-N652 WeakPolarHBondContact OG1-CB 3.35Å; T650-N652 PolarHBondContact OG1-N 3.42Å; T650-N652 VanDerWaalsContact OG1-N 3.1Å
653K92.4Very high93.7Very high186 Ų18665.8 Ų65.881%0.80934%0.343SS*.PPolyproline II helixtrans-73.4145.7170.1-68.1-175.1-178.5-177.70109.5W628 N655W628-K653 VanDerWaalsContact CD1-O 3.31Å; K653-N655 PolarHBondContact O-N 3.17Å
654P94.7Very high93.7Very high61 Ų6165 Ų6540%0.39633%0.333SS..PPolyproline II helixtrans-50.9137.7166.9-27.936.5000112.3E626 R627 Y648E626-P654 HydrophobicContact CB-CB 4.08Å; E626-P654 HydrophobicContact CB-CG 4.35Å; R627-P654 VanDerWaalsContact O-CA 3.29Å; R627-P654 WeakPolarHBondContact O-CA 3.21Å; Y648-P654 HydrophobicContact CE1-CG 4.48Å
655N95.2Very high93.7Very high32 Ų3267.5 Ų67.517%0.17134%0.343CS..  trans-124.3-10.917564.7-20.6000112.5F546 R627 W628 V629 K653F546-N655 PolarHBondContact O-ND2 3.09Å; R627-N655 PolarHBondContact O-N 3.49Å; R627-N655 PolarHBondContact O-OD1 2.99Å; W628-N655 VanDerWaalsContact CA-OD1 3.28Å; W628-N655 WeakPolarHBondContact CA-OD1 3.5Å; V629-N655 PolarHBondContact N-OD1 3.16Å; V629-N655 PolarHBondContact O-ND2 3.44Å; V629-N655 PolarHBondContact O-OD1 3.11Å; K653-N655 PolarHBondContact O-N 3.17Å
656A96.7Very high93.8Very high1 Ų167.5 Ų67.51%0.00835%0.347CS..EExtended strand (participates in β ladder)trans-140.4142.4177.700000114F546 V552 R627 V629 V658F546-A656 HydrophobicContact CD1-CB 4.08Å; F546-A656 HydrophobicContact CE1-CB 3.8Å; V552-A656 HydrophobicContact CB-CB 4.13Å; V552-A656 HydrophobicContact CG1-CB 4.34Å; V552-A656 CarbonylContact O-C 3.54Å; V552-A656 VanDerWaalsContact O-CA 3.24Å; V552-A656 WeakPolarHBondContact O-CA 3.34Å; R627-A656 PolarHBondContact N-O 3.24Å; R627-A656 PolarHBondContact O-N 2.97Å; R627-A656 VanDerWaalsContact O-N 3.11Å; V629-A656 HydrophobicContact CG2-CB 4.01Å; A656-V658 HydrophobicContact CB-CG2 4.45Å; A656-V658 PolarHBondContact O-N 2.75Å
657T97Very high94.2Very high24 Ų2462.7 Ų62.715%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-80.4105.4163.1-52.90000108.4V552 V553 M554 W615 E626V552-T657 PolarHBondContact O-N 3.07Å; V553-T657 CarbonylContact C-O 3.58Å; V553-T657 WeakPolarHBondContact CA-O 3.25Å; V553-T657 HydrophobicContact CG1-CG2 4.35Å; M554-T657 PolarHBondContact N-O 3.28Å; W615-T657 HydrophobicContact CZ2-CG2 4.45Å; E626-T657 WeakPolarHBondContact OE1-CA 3.31Å; E626-T657 VanDerWaalsContact OE1-CB 3.26Å; E626-T657 WeakPolarHBondContact OE1-CB 3.19Å; E626-T657 WeakPolarHBondContact OE1-CG2 3.46Å; E626-T657 PolarHBondContact OE1-OG1 3.33Å
658V96Very high94.5Very high0 Ų054.5 Ų54.50%030%0.295CS..EExtended strand (participates in β ladder)trans-94.8123.7-178.5-175.20000109.9M522 M554 S624 V625 R627 V629 V644 A656 V660M522-V658 HydrophobicContact CG-CG1 4.25Å; M522-V658 HydrophobicContact SD-CG1 3.98Å; M554-V658 HydrophobicContact CE-CG1 4.42Å; M554-V658 HydrophobicContact SD-CG1 4.3Å; M554-V658 HydrophobicContact SD-CG2 4.3Å; S624-V658 CarbonylContact C-O 3.52Å; S624-V658 VanDerWaalsContact CA-O 3.27Å; S624-V658 WeakPolarHBondContact CA-O 2.9Å; V625-V658 HydrophobicContact CG2-CB 4.21Å; V625-V658 PolarHBondContact N-O 3.1Å; V625-V658 PolarHBondContact O-N 3.43Å; R627-V658 HydrophobicContact CB-CG2 4.35Å; V629-V658 HydrophobicContact CG2-CG2 3.81Å; V644-V658 HydrophobicContact CG1-CG2 4.38Å; A656-V658 HydrophobicContact CB-CG2 4.45Å; A656-V658 PolarHBondContact O-N 2.75Å; V658-V660 HydrophobicContact CG1-CG1 4.42Å
659M96.6Very high94.8Very high0 Ų050.7 Ų50.70%028%0.284CS..EExtended strand (participates in β ladder)trans-76.5135.3172.8-58.4-177.2-148.600110.4V516 V553 M554 A555 V559 W615 F622V516-M659 HydrophobicContact CG1-CE 4.49Å; V553-M659 HydrophobicContact CG1-CE 3.68Å; M554-M659 PolarHBondContact O-N 3.48Å; A555-M659 HydrophobicContact CB-CE 3.81Å; A555-M659 HydrophobicContact CB-SD 3.92Å; V559-M659 HydrophobicContact CB-CB 4.02Å; V559-M659 HydrophobicContact CG1-CB 3.51Å; V559-M659 HydrophobicContact CG1-SD 4.31Å; V559-M659 HydrophobicContact CG2-CB 4.28Å; W615-M659 HydrophobicContact CB-CE 3.58Å; W615-M659 HydrophobicContact CB-SD 4.15Å; W615-M659 HydrophobicContact CD2-CE 4.14Å; W615-M659 HydrophobicContact CG-CE 3.55Å; W615-M659 HydrophobicContact CG-SD 4.17Å; F622-M659 HydrophobicContact CD1-SD 3.82Å; F622-M659 HydrophobicContact CE1-SD 4.21Å; F622-M659 HydrophobicContact CG-SD 4.28Å
660V94.3Very high94.9Very high29 Ų2943.8 Ų43.818%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-129.7-15.7-174.6-63.60000114.5M522 K562 T623 V625 V658M522-V660 HydrophobicContact SD-CG1 3.69Å; K562-V660 PolarHBondContact NZ-O 2.99Å; T623-V660 HydrophobicContact CG2-CG2 3.74Å; T623-V660 WeakPolarHBondContact O-CG2 3.39Å; T623-V660 PolarHBondContact O-N 2.85Å; V625-V660 HydrophobicContact CG1-CG2 4.32Å; V625-V660 HydrophobicContact CG2-CG1 3.79Å; V658-V660 HydrophobicContact CG1-CG1 4.42Å
661D95.8Very high95Very high73 Ų7340.4 Ų40.439%0.3923%0.227SC..EExtended strand (participates in β ladder)trans-155.1159.5176.5-137.90.9000111.3K562 F622 T623K562-D661 WeakPolarHBondContact CD-OD1 3.34Å; K562-D661 WeakPolarHBondContact CE-OD1 3.48Å; K562-D661 IonicContact NZ-OD1 2.75Å; K562-D661 PolarHBondContact NZ-OD1 3.27Å; F622-D661 CarbonylContact C-O 3.59Å; F622-D661 WeakPolarHBondContact CA-O 3.36Å; T623-D661 PolarHBondContact N-O 2.97Å; T623-D661 PolarHBondContact O-N 2.71Å
662V96.6Very high95.1Very high18 Ų1837.3 Ų37.311%0.10920%0.195CC..EExtended strand (participates in β ladder)trans-143.6138.8-179.559.60000111.4V559 K562 A563 L621 F622 R664 F667V559-V662 HydrophobicContact CG2-CB 3.74Å; V559-V662 HydrophobicContact CG2-CG1 3.91Å; K562-V662 HydrophobicContact CB-CG1 3.83Å; A563-V662 HydrophobicContact CB-CG1 4.26Å; L621-V662 CarbonylContact O-C 3.32Å; L621-V662 VanDerWaalsContact O-CA 3.31Å; L621-V662 WeakPolarHBondContact O-CA 3.2Å; F622-V662 HydrophobicContact CD1-CB 3.89Å; F622-V662 HydrophobicContact CD1-CG2 3.83Å; F622-V662 HydrophobicContact CE1-CB 3.93Å; F622-V662 HydrophobicContact CE1-CG2 3.5Å; F622-V662 HydrophobicContact CZ-CG2 3.94Å; V662-R664 VanDerWaalsContact C-N 3.35Å; V662-R664 PolarHBondContact O-N 2.83Å; V662-F667 HydrophobicContact CG2-CB 4.16Å
663D97.4Very high94.9Very high87 Ų8738.2 Ų38.247%0.46520%0.2SC..  trans-7292.8161.3178.26.3000109.2L621 Q665 G666 F667L621-D663 HydrophobicContact CD2-CB 4.28Å; L621-D663 PolarHBondContact O-N 3.14Å; D663-Q665 PolarHBondContact O-N 3.05Å; D663-Q665 PolarHBondContact OD1-N 2.69Å; D663-G666 PolarHBondContact O-N 3.11Å; D663-G666 PolarHBondContact OD1-N 2.65Å; D663-G666 PolarHBondContact OD2-N 2.86Å; D663-F667 WeakPolarHBondContact O-CB 3.19Å; D663-F667 PolarHBondContact O-N 3.44Å
664R96Very high94.8Very high49 Ų4930.5 Ų30.519%0.18517%0.166CC..Hα-helixtrans-50.1-39.5177-169.7-138.285.196.1-2.1112.3Q564 D569 V662 V668Q564-R664 PolarHBondContact O-NH1 2.98Å; D569-R664 IonicContact OD1-NH1 2.95Å; D569-R664 IonicContact OD1-NH2 3.3Å; D569-R664 PolarHBondContact OD1-NH2 3.5Å; D569-R664 IonicContact OD2-CZ 2.75Å; D569-R664 IonicContact OD2-NH1 3.72Å; D569-R664 PolarHBondContact OD2-NH1 2.95Å; D569-R664 IonicContact OD2-NH2 2.97Å; D569-R664 PolarHBondContact OD2-NH2 3.27Å; V662-R664 VanDerWaalsContact C-N 3.35Å; V662-R664 PolarHBondContact O-N 2.83Å; R664-V668 WeakPolarHBondContact O-CG2 3.41Å; R664-V668 PolarHBondContact O-N 2.88Å
665Q94.9Very high94.3Very high77 Ų7727.6 Ų27.636%0.3615%0.147SC..Hα-helixtrans-74.7-47.9-175.1-170.755.849.500111.1D663 F667 V668 D669D663-Q665 PolarHBondContact O-N 3.05Å; D663-Q665 PolarHBondContact OD1-N 2.69Å; Q665-F667 PolarHBondContact O-N 3.08Å; Q665-V668 PolarHBondContact O-N 2.95Å; Q665-V668 VanDerWaalsContact O-N 3.14Å; Q665-D669 PolarHBondContact NE2-OD1 2.97Å; Q665-D669 PolarHBondContact NE2-OD2 3.01Å; Q665-D669 VanDerWaalsContact O-CG 3.26Å; Q665-D669 PolarHBondContact O-N 2.89Å
666G95.2Very high93.6Very high14 Ų1429.8 Ų29.814%0.14416%0.159CC..Hα-helixtrans-60.5-30.7174.300000113.4D663 L670D663-G666 PolarHBondContact O-N 3.11Å; D663-G666 PolarHBondContact OD1-N 2.65Å; D663-G666 PolarHBondContact OD2-N 2.86Å; G666-L670 WeakPolarHBondContact O-CB 3.44Å; G666-L670 PolarHBondContact O-N 2.81Å
667F96.3Very high92.3Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-67.9-44.7171.7174-102000113.1A563 I565 L607 P610 A614 F622 V662 D663 Q665 L670 L671A563-F667 HydrophobicContact CB-CD1 4.18Å; A563-F667 HydrophobicContact CB-CE1 3.83Å; A563-F667 HydrophobicContact CB-CZ 4.13Å; I565-F667 HydrophobicContact CD1-CE1 4.23Å; L607-F667 HydrophobicContact CB-CE1 4.23Å; L607-F667 HydrophobicContact CB-CZ 4.08Å; L607-F667 HydrophobicContact CD1-CE1 4.32Å; L607-F667 HydrophobicContact CD1-CZ 4.43Å; P610-F667 HydrophobicContact CB-CE2 4.34Å; P610-F667 HydrophobicContact CB-CZ 4.08Å; A614-F667 HydrophobicContact CB-CD2 3.67Å; A614-F667 HydrophobicContact CB-CE2 3.7Å; F622-F667 HydrophobicContact CZ-CD2 4.23Å; V662-F667 HydrophobicContact CG2-CB 4.16Å; D663-F667 WeakPolarHBondContact O-CB 3.19Å; D663-F667 PolarHBondContact O-N 3.44Å; Q665-F667 PolarHBondContact O-N 3.08Å; F667-L670 PolarHBondContact O-N 2.81Å; F667-L671 HydrophobicContact CD1-CD1 4.21Å; F667-L671 HydrophobicContact CE1-CD1 3.73Å; F667-L671 HydrophobicContact CE2-CD1 4.4Å; F667-L671 HydrophobicContact CZ-CD1 3.86Å; F667-L671 PolarHBondContact O-N 2.88Å; F667-L671 VanDerWaalsContact O-N 3.14Å
668V95.5Very high90.7Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-63.2-42.3173173.20000111.4I565 D569 F573 R664 Q665 L671 A672I565-V668 HydrophobicContact CD1-CG2 3.65Å; D569-V668 HydrophobicContact CB-CG1 3.88Å; F573-V668 HydrophobicContact CE1-CG1 4.37Å; F573-V668 HydrophobicContact CZ-CG1 4.15Å; R664-V668 WeakPolarHBondContact O-CG2 3.41Å; R664-V668 PolarHBondContact O-N 2.88Å; Q665-V668 PolarHBondContact O-N 2.95Å; Q665-V668 VanDerWaalsContact O-N 3.14Å; V668-L671 PolarHBondContact O-N 2.82Å; V668-A672 PolarHBondContact O-N 2.83Å
669D95.4Very high88.6Confident50 Ų5035.5 Ų35.527%0.26720%0.195SC..Hα-helixtrans-63.2-43.3179-67.2-31.1000111R572 Q665 L671 A672 D673R572-D669 IonicContact CZ-OD1 3.7Å; R572-D669 IonicContact NH1-OD1 3.85Å; R572-D669 PolarHBondContact NH1-OD1 2.89Å; R572-D669 IonicContact NH2-OD1 3.12Å; R572-D669 PolarHBondContact NH2-OD1 2.84Å; Q665-D669 PolarHBondContact NE2-OD1 2.97Å; Q665-D669 PolarHBondContact NE2-OD2 3.01Å; Q665-D669 VanDerWaalsContact O-CG 3.26Å; Q665-D669 PolarHBondContact O-N 2.89Å; D669-L671 PolarHBondContact O-N 3.01Å; D669-A672 PolarHBondContact O-N 2.6Å; D669-D673 WeakPolarHBondContact O-CB 3.37Å; D669-D673 PolarHBondContact O-N 2.8Å
670L94.6Very high86.2Confident1 Ų140.3 Ų40.31%0.00522%0.221CC..Hα-helixtrans-55.4-48.6173.3-176.773.8000111.9A614 L617 K618 L621 G666 F667 H674A614-L670 HydrophobicContact CB-CD2 3.65Å; L617-L670 HydrophobicContact CB-CD2 4.32Å; L617-L670 HydrophobicContact CD1-CD1 4.48Å; L617-L670 HydrophobicContact CD1-CD2 4.14Å; K618-L670 HydrophobicContact CD-CD1 3.91Å; K618-L670 HydrophobicContact CG-CD1 4.21Å; L621-L670 HydrophobicContact CD1-CB 4.4Å; L621-L670 HydrophobicContact CD1-CD2 4.1Å; G666-L670 WeakPolarHBondContact O-CB 3.44Å; G666-L670 PolarHBondContact O-N 2.81Å; F667-L670 PolarHBondContact O-N 2.81Å; L670-H674 WeakPolarHBondContact CD1-CE1 3.42Å; L670-H674 PolarHBondContact O-N 2.64Å; L670-H674 PolarHBondContact O-ND1 2.83Å
671L93.1Very high84.1Confident1 Ų142.1 Ų42.11%0.00524%0.239CC..Hα-helixtrans-60.6-47.4177-80.1163000111.8I385 L389 I565 F573 L607 F667 V668 D669 D673 H674 I675I385-L671 HydrophobicContact CG2-CD2 3.86Å; L389-L671 HydrophobicContact CB-CD2 4.15Å; L389-L671 HydrophobicContact CD1-CD2 4.24Å; L389-L671 HydrophobicContact CD2-CD2 3.93Å; L389-L671 HydrophobicContact CG-CD2 4.32Å; I565-L671 HydrophobicContact CD1-CD1 4.06Å; F573-L671 HydrophobicContact CE1-CB 4.04Å; F573-L671 HydrophobicContact CZ-CB 3.93Å; F573-L671 HydrophobicContact CZ-CD1 4.45Å; L607-L671 HydrophobicContact CD1-CD1 3.86Å; F667-L671 HydrophobicContact CD1-CD1 4.21Å; F667-L671 HydrophobicContact CE1-CD1 3.73Å; F667-L671 HydrophobicContact CE2-CD1 4.4Å; F667-L671 HydrophobicContact CZ-CD1 3.86Å; F667-L671 PolarHBondContact O-N 2.88Å; F667-L671 VanDerWaalsContact O-N 3.14Å; V668-L671 PolarHBondContact O-N 2.82Å; D669-L671 PolarHBondContact O-N 3.01Å; L671-D673 PolarHBondContact O-N 2.7Å; L671-H674 PolarHBondContact O-N 3.5Å; L671-I675 HydrophobicContact CB-CD1 4.45Å; L671-I675 WeakPolarHBondContact O-CB 3.2Å; L671-I675 WeakPolarHBondContact O-CD1 3.2Å; L671-I675 WeakPolarHBondContact O-CG1 3.47Å; L671-I675 PolarHBondContact O-N 3.38Å
672A91.3Very high82.3Confident6 Ų642.3 Ų42.35%0.0524%0.238CC..Hα-helixtrans-61-46.4-178.700000112.3F573 V668 D669 H674 N676F573-A672 HydrophobicContact CD1-CB 4.18Å; F573-A672 HydrophobicContact CE1-CB 3.87Å; V668-A672 PolarHBondContact O-N 2.83Å; D669-A672 PolarHBondContact O-N 2.6Å; A672-H674 PolarHBondContact O-N 3.22Å; A672-N676 VanDerWaalsContact O-CB 3.23Å; A672-N676 WeakPolarHBondContact O-CB 3.49Å; A672-N676 PolarHBondContact O-N 3.37Å
673D88.5Confident81.2Confident94 Ų9443.1 Ų43.150%0.50324%0.241SC..Hα-helixtrans-63.4-41.8-177.1-69-14000111.4D669 L671 A677D669-D673 WeakPolarHBondContact O-CB 3.37Å; D669-D673 PolarHBondContact O-N 2.8Å; L671-D673 PolarHBondContact O-N 2.7Å; D673-A677 PolarHBondContact O-N 2.66Å
674H88.9Confident80.7Confident23 Ų2339.2 Ų39.211%0.10622%0.221CC..Hα-helixtrans-75.4-42.6-178.7-72.978.4000112.6L389 A392 S393 E395 L670 L671 A672 N676 A677 M678L389-H674 HydrophobicContact CD1-CB 3.76Å; A392-H674 HydrophobicContact CB-CB 3.77Å; S393-H674 PolarHBondContact OG-CD2 2.9Å; E395-H674 IonicContact OE2-NE2 2.95Å; L670-H674 WeakPolarHBondContact CD1-CE1 3.42Å; L670-H674 PolarHBondContact O-N 2.64Å; L670-H674 PolarHBondContact O-ND1 2.83Å; L671-H674 PolarHBondContact O-N 3.5Å; A672-H674 PolarHBondContact O-N 3.22Å; H674-N676 PolarHBondContact O-N 3.22Å; H674-A677 WeakPolarHBondContact O-CB 3.26Å; H674-A677 PolarHBondContact O-N 3.48Å; H674-M678 PolarHBondContact O-N 2.84Å
675I84.9Confident80.6Confident0 Ų036.9 Ų36.90%021%0.212CC..Hα-helixtrans-61.5-35.4174.5-68.5165.5000111V388 F573 I576 N578 V584 L671 A677V388-I675 HydrophobicContact CG1-CG1 3.93Å; F573-I675 HydrophobicContact CD1-CD1 4.47Å; I576-I675 HydrophobicContact CD1-CB 4.21Å; I576-I675 HydrophobicContact CD1-CG2 3.86Å; N578-I675 PolarHBondContact ND2-O 2.84Å; V584-I675 HydrophobicContact CB-CD1 4.45Å; V584-I675 HydrophobicContact CG1-CD1 3.96Å; V584-I675 HydrophobicContact CG2-CD1 4.25Å; L671-I675 HydrophobicContact CB-CD1 4.45Å; L671-I675 WeakPolarHBondContact O-CB 3.2Å; L671-I675 WeakPolarHBondContact O-CD1 3.2Å; L671-I675 WeakPolarHBondContact O-CG1 3.47Å; L671-I675 PolarHBondContact O-N 3.38Å; I675-A677 VanDerWaalsContact C-N 3.32Å
676N81.4Confident80.6Confident78 Ų7833.2 Ų33.242%0.41720%0.195SC..Hα-helixtrans-68.7-27.9173.8178.568000113I576 A672 H674 N680I576-N676 HydrophobicContact CD1-CB 4.17Å; I576-N676 HydrophobicContact CG1-CB 4.43Å; I576-N676 HydrophobicContact CG2-CB 4.06Å; A672-N676 VanDerWaalsContact O-CB 3.23Å; A672-N676 WeakPolarHBondContact O-CB 3.49Å; A672-N676 PolarHBondContact O-N 3.37Å; H674-N676 PolarHBondContact O-N 3.22Å; N676-N680 PolarHBondContact O-ND2 2.79Å
677A68.4Low80.7Confident53 Ų5332.6 Ų32.644%0.43819%0.188SC..Hα-helixtrans-74.6-32.9177.100000113.5D673 H674 I675 D679 N680D673-A677 PolarHBondContact O-N 2.66Å; H674-A677 WeakPolarHBondContact O-CB 3.26Å; H674-A677 PolarHBondContact O-N 3.48Å; I675-A677 VanDerWaalsContact C-N 3.32Å; A677-D679 VanDerWaalsContact C-N 3.33Å; A677-D679 PolarHBondContact O-N 2.88Å; A677-N680 PolarHBondContact O-N 3.37Å; A677-N680 VanDerWaalsContact O-N 3.16Å
678M64.5Low80.7Confident46 Ų4633.4 Ų33.423%0.22719%0.192CC..THydrogen-bonded Turntrans-57.1-33.7-170.8-84.7-168.7131.300116.4V388 L391 A392 L424 V580 H674V388-M678 HydrophobicContact CG1-SD 3.79Å; V388-M678 VanDerWaalsContact O-CE 3.24Å; V388-M678 WeakPolarHBondContact O-CE 3.22Å; L391-M678 HydrophobicContact CB-CE 3.65Å; A392-M678 HydrophobicContact CB-CE 3.9Å; A392-M678 HydrophobicContact CB-CG 3.44Å; A392-M678 VanDerWaalsContact CB-CG 3.44Å; A392-M678 HydrophobicContact CB-SD 3.82Å; L424-M678 HydrophobicContact CD1-CE 3.98Å; L424-M678 HydrophobicContact CD2-CE 3.51Å; L424-M678 HydrophobicContact CD2-SD 3.67Å; L424-M678 HydrophobicContact CG-CE 4.21Å; V580-M678 HydrophobicContact CG1-SD 3.9Å; H674-M678 PolarHBondContact O-N 2.84Å
679D51.4Low80.7Confident46 Ų4633.6 Ų33.625%0.24619%0.194CC..THydrogen-bonded Turntrans-102.45.1-176-122-51.2000113.2N578 P579 A677 A681N578-D679 HydrophobicContact CB-CB 3.55Å; P579-D679 WeakPolarHBondContact CD-OD2 3.49Å; A677-D679 VanDerWaalsContact C-N 3.33Å; A677-D679 PolarHBondContact O-N 2.88Å; D679-A681 PolarHBondContact O-N 2.81Å
680N46.7Very low80.5Confident101 Ų10131.7 Ų31.754%0.5419%0.186SC..  trans-85.737171.5-74.5-44.7000112.5N676 A677 E682N676-N680 PolarHBondContact O-ND2 2.79Å; A677-N680 PolarHBondContact O-N 3.37Å; A677-N680 VanDerWaalsContact O-N 3.16Å; N680-E682 PolarHBondContact O-N 3.16Å
681A50Low80.2Confident68 Ų6832 Ų3256%0.56219%0.188SC*.  trans-63.183.7145.100000106.8D679 L683 R789D679-A681 PolarHBondContact O-N 2.81Å; A681-L683 PolarHBondContact O-N 3.43Å; A681-R789 PolarHBondContact O-NH1 2.9Å; A681-R789 VanDerWaalsContact O-NH1 3.16Å; A681-R789 PolarHBondContact O-NH2 3.44Å
682E58.1Low80.1Confident77 Ų7733.7 Ų33.736%0.3620%0.198SC..  trans-49.7127176-78.2-175.9-157.300107.6N680 A684 R1022 L1023N680-E682 PolarHBondContact O-N 3.16Å; E682-A684 PolarHBondContact O-N 3.35Å; E682-R1022 IonicContact OE2-CZ 3.73Å; E682-R1022 IonicContact OE2-NH1 2.68Å; E682-R1022 PolarHBondContact OE2-NH1 3.43Å; E682-R1022 IonicContact OE2-NH2 2.67Å; E682-R1022 PolarHBondContact OE2-NH2 3.31Å; E682-L1023 HydrophobicContact CB-CD1 3.76Å; E682-L1023 HydrophobicContact CB-CD2 3.66Å; E682-L1023 HydrophobicContact CB-CG 4.38Å; E682-L1023 HydrophobicContact CG-CD2 4.34Å; E682-L1023 WeakPolarHBondContact O-CD1 3.39Å; E682-L1023 VanDerWaalsContact OE2-CD2 3.31Å; E682-L1023 WeakPolarHBondContact OE2-CD2 3.48Å
683L72.4Confident80.2Confident34 Ų3436.1 Ų36.118%0.17821%0.21CC..  trans-71.5126.8176-74.9161.1000108.1A681 I685 V698 L787 R789 I791A681-L683 PolarHBondContact O-N 3.43Å; L683-I685 HydrophobicContact CB-CD1 3.83Å; L683-I685 HydrophobicContact CB-CG1 3.66Å; L683-I685 HydrophobicContact CD1-CD1 4.44Å; L683-I685 PolarHBondContact O-N 2.8Å; L683-V698 HydrophobicContact CD2-CG2 3.95Å; L683-L787 HydrophobicContact CD1-CD1 3.55Å; L683-L787 HydrophobicContact CD2-CD1 4.15Å; L683-L787 HydrophobicContact CG-CD1 4.41Å; L683-R789 HydrophobicContact CD1-CG 3.91Å; L683-I791 HydrophobicContact CD1-CG1 4.26Å
684A86.5Confident80.5Confident5 Ų531.7 Ų31.74%0.04119%0.186CC..  trans-75.377.3171.100000110E682 V698 W699 A1019 A1020 L1023E682-A684 PolarHBondContact O-N 3.35Å; A684-V698 WeakPolarHBondContact O-CA 3.4Å; A684-W699 HydrophobicContact CB-CB 3.59Å; A684-W699 PolarHBondContact O-N 3.47Å; A684-A1019 VanDerWaalsContact C-CB 3.49Å; A684-A1019 VanDerWaalsContact CB-C 3.5Å; A684-A1019 HydrophobicContact CB-CB 3.69Å; A684-A1020 HydrophobicContact CB-CB 3.73Å; A684-A1020 VanDerWaalsContact CB-N 3.27Å; A684-L1023 HydrophobicContact CB-CD1 3.89Å
685I93.8Very high80.9Confident1 Ų130.7 Ų30.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-89.1126.8179.5-58.2-60.1000110.8L683 I687 I696 A697 V698 I707 L787 I791 V794 V795L683-I685 HydrophobicContact CB-CD1 3.83Å; L683-I685 HydrophobicContact CB-CG1 3.66Å; L683-I685 HydrophobicContact CD1-CD1 4.44Å; L683-I685 PolarHBondContact O-N 2.8Å; I685-I687 HydrophobicContact CG2-CG1 4.32Å; I685-I696 HydrophobicContact CG2-CD1 3.75Å; I685-I696 HydrophobicContact CG2-CG1 3.76Å; I685-A697 WeakPolarHBondContact CA-O 3.25Å; I685-V698 HydrophobicContact CD1-CB 3.72Å; I685-V698 HydrophobicContact CD1-CG2 3.72Å; I685-I707 HydrophobicContact CD1-CD1 4.43Å; I685-L787 HydrophobicContact CD1-CD1 3.83Å; I685-I791 HydrophobicContact CD1-CD1 4.4Å; I685-I791 HydrophobicContact CG1-CG2 4.09Å; I685-V794 HydrophobicContact CB-CG1 4Å; I685-V794 HydrophobicContact CG2-CB 4.35Å; I685-V794 HydrophobicContact CG2-CG1 3.72Å; I685-V795 PolarHBondContact O-N 3.36Å
686G96.1Very high81.5Confident0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-110.7135.616900000111.5I696 A697 V795G686-I696 CarbonylContact O-C 3.46Å; G686-I696 WeakPolarHBondContact O-CA 3.42Å; G686-A697 PolarHBondContact N-O 3.46Å; G686-A697 PolarHBondContact O-N 2.91Å; G686-V795 CarbonylContact C-O 3.56Å; G686-V795 WeakPolarHBondContact CA-O 3.37Å
687I97.7Very high82.2Confident0 Ų027.1 Ų27.10%016%0.163CC..EExtended strand (participates in β ladder)trans-118.3127.3174.6-63.9176.3000108.8I685 L689 L695 I696 L776 L779 V794 V795 I796 S797 L819I685-I687 HydrophobicContact CG2-CG1 4.32Å; I687-L689 HydrophobicContact CG2-CB 4.47Å; I687-L695 WeakPolarHBondContact CA-O 3.28Å; I687-I696 HydrophobicContact CD1-CD1 4.02Å; I687-I696 HydrophobicContact CG1-CB 4.31Å; I687-I696 HydrophobicContact CG1-CD1 3.8Å; I687-I696 HydrophobicContact CG1-CG1 3.81Å; I687-L776 HydrophobicContact CD1-CD2 4.1Å; I687-L776 HydrophobicContact CG2-CD2 3.74Å; I687-L779 HydrophobicContact CG2-CD1 3.93Å; I687-V794 HydrophobicContact CD1-CB 4.13Å; I687-V794 HydrophobicContact CD1-CG1 4.08Å; I687-V794 HydrophobicContact CD1-CG2 4.16Å; I687-V795 PolarHBondContact N-O 3.39Å; I687-I796 HydrophobicContact CB-CG1 4.35Å; I687-I796 HydrophobicContact CB-CG2 4.41Å; I687-I796 HydrophobicContact CG2-CG2 4.32Å; I687-I796 WeakPolarHBondContact O-CA 3.34Å; I687-S797 PolarHBondContact O-N 3.26Å; I687-L819 HydrophobicContact CD1-CD1 3.85Å
688D96.4Very high83.5Confident17 Ų1724.7 Ų24.79%0.09114%0.142CC..EExtended strand (participates in β ladder)trans-92.5108.3160.9-177.524.3000109.3G690 S694 L695 S797 V1011 A1012D688-G690 PolarHBondContact O-N 3.2Å; D688-S694 CarbonylContact O-C 3.57Å; D688-S694 WeakPolarHBondContact O-CA 3.3Å; D688-S694 WeakPolarHBondContact O-CB 3.41Å; D688-L695 HydrophobicContact CB-CB 4.35Å; D688-L695 HydrophobicContact CB-CD1 4.05Å; D688-L695 PolarHBondContact N-O 3.33Å; D688-L695 PolarHBondContact O-N 2.92Å; D688-L695 WeakPolarHBondContact OD2-CD1 3.46Å; D688-S797 VanDerWaalsContact CA-OG 3.31Å; D688-S797 WeakPolarHBondContact CA-OG 3.27Å; D688-S797 PolarHBondContact OD1-OG 3.27Å; D688-V1011 HydrophobicContact CB-CB 4.24Å; D688-V1011 HydrophobicContact CB-CG1 3.96Å; D688-V1011 WeakPolarHBondContact OD1-CG1 3.23Å; D688-A1012 HydrophobicContact CB-CB 3.89Å
689L94.8Very high84.7Confident5 Ų524.1 Ų24.13%0.02614%0.138CC..  trans-9373.1177.6-179.463.4000109I687 K750 V775 L776 I796 S797 T810I687-L689 HydrophobicContact CG2-CB 4.47Å; L689-K750 WeakPolarHBondContact O-CD 3.46Å; L689-K750 WeakPolarHBondContact O-CE 3.34Å; L689-K750 PolarHBondContact O-NZ 3.44Å; L689-V775 HydrophobicContact CD1-CG1 4.47Å; L689-L776 HydrophobicContact CD1-CD2 3.95Å; L689-L776 HydrophobicContact CD1-CG 4.07Å; L689-L776 HydrophobicContact CD2-CD1 4.24Å; L689-L776 HydrophobicContact CD2-CD2 4.38Å; L689-L776 HydrophobicContact CD2-CG 4.44Å; L689-I796 HydrophobicContact CB-CG2 3.87Å; L689-S797 PolarHBondContact N-OG 3.37Å; L689-S797 VanDerWaalsContact N-OG 3.1Å; L689-T810 HydrophobicContact CD2-CG2 4.06Å
690G90.9Very high86.1Confident10 Ų1026.5 Ų26.510%0.10315%0.146CC..  trans-76.8166.9-175.600000114.8D688 N693 S694 S718D688-G690 PolarHBondContact O-N 3.2Å; G690-N693 CarbonylContact C-O 3.51Å; G690-N693 WeakPolarHBondContact CA-O 3.2Å; G690-N693 PolarHBondContact N-O 3.41Å; G690-S694 PolarHBondContact N-OG 3.11Å; G690-S718 PolarHBondContact O-OG 3.23Å
691T88.7Confident87.6Confident8 Ų827.9 Ų27.95%0.04915%0.153CC..SBendtrans-72.7-31.1-178.2-56.10000113.6L748 K750 R751T691-L748 HydrophobicContact CG2-CB 4.47Å; T691-L748 HydrophobicContact CG2-CD2 3.99Å; T691-K750 HydrophobicContact CG2-CB 4.29Å; T691-R751 HydrophobicContact CG2-CG 3.9Å
692T89.8Confident88.7Confident35 Ų3526.2 Ų26.222%0.21514%0.143CC..SBendtrans-116.2-38.7-175-570000111.8P717 S718 E881T692-P717 WeakPolarHBondContact O-CA 3.46Å; T692-S718 PolarHBondContact O-N 3.09Å; T692-E881 PolarHBondContact OG1-OE1 3.31Å
693N93.5Very high89.9Confident58 Ų5824.6 Ų24.631%0.3114%0.143SC..EExtended strand (participates in β ladder)trans-134.1150.6172-56.8-62.2000108.6G690 L715 T716 S718G690-N693 CarbonylContact C-O 3.51Å; G690-N693 WeakPolarHBondContact CA-O 3.2Å; G690-N693 PolarHBondContact N-O 3.41Å; N693-L715 HydrophobicContact CB-CB 4.35Å; N693-L715 HydrophobicContact CB-CD2 3.87Å; N693-T716 CarbonylContact C-O 3.55Å; N693-T716 WeakPolarHBondContact CA-O 3.49Å; N693-S718 VanDerWaalsContact C-OG 3.29Å; N693-S718 WeakPolarHBondContact CA-OG 3.22Å; N693-S718 PolarHBondContact N-OG 3.3Å
694S96.2Very high90.8Very high0 Ų024.1 Ų24.10%014%0.144CC..EExtended strand (participates in β ladder)trans-123.3153.9171.4-56.90000109.8D688 G690 T716 S718D688-S694 CarbonylContact O-C 3.57Å; D688-S694 WeakPolarHBondContact O-CA 3.3Å; D688-S694 WeakPolarHBondContact O-CB 3.41Å; G690-S694 PolarHBondContact N-OG 3.11Å; S694-T716 PolarHBondContact N-O 2.94Å; S694-T716 PolarHBondContact O-N 2.85Å; S694-S718 PolarHBondContact OG-OG 3.24Å; S694-S718 VanDerWaalsContact OG-OG 3.07Å
695L96.7Very high91.1Very high2 Ų227 Ų271%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-137.5159.6-176.9-54.691.7000110.5I687 D688 L706 Y714 L715 T1009 A1012I687-L695 WeakPolarHBondContact CA-O 3.28Å; D688-L695 HydrophobicContact CB-CB 4.35Å; D688-L695 HydrophobicContact CB-CD1 4.05Å; D688-L695 PolarHBondContact N-O 3.33Å; D688-L695 PolarHBondContact O-N 2.92Å; D688-L695 WeakPolarHBondContact OD2-CD1 3.46Å; L695-L706 HydrophobicContact CD2-CD2 4.32Å; L695-Y714 WeakPolarHBondContact CG-O 3.49Å; L695-L715 HydrophobicContact CD1-CD2 3.83Å; L695-L715 HydrophobicContact CD2-CD2 3.76Å; L695-L715 HydrophobicContact CD2-CG 4.46Å; L695-L715 HydrophobicContact CG-CD2 3.85Å; L695-T1009 HydrophobicContact CD2-CG2 3.85Å; L695-A1012 HydrophobicContact CB-CB 3.78Å
696I97.7Very high91.2Very high4 Ų428.5 Ų28.52%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-134.8142.8172.4-171.6164.9000110.2I685 G686 I687 I707 L779 A783I685-I696 HydrophobicContact CG2-CD1 3.75Å; I685-I696 HydrophobicContact CG2-CG1 3.76Å; G686-I696 CarbonylContact O-C 3.46Å; G686-I696 WeakPolarHBondContact O-CA 3.42Å; I687-I696 HydrophobicContact CD1-CD1 4.02Å; I687-I696 HydrophobicContact CG1-CB 4.31Å; I687-I696 HydrophobicContact CG1-CD1 3.8Å; I687-I696 HydrophobicContact CG1-CG1 3.81Å; I696-I707 HydrophobicContact CG1-CD1 4.4Å; I696-I707 HydrophobicContact CG2-CB 3.87Å; I696-I707 HydrophobicContact CG2-CG2 4.1Å; I696-I707 PolarHBondContact O-N 2.9Å; I696-L779 HydrophobicContact CB-CB 4.29Å; I696-L779 HydrophobicContact CB-CD2 4.36Å; I696-L779 HydrophobicContact CD1-CB 4.25Å; I696-L779 HydrophobicContact CG2-CB 4.17Å; I696-L779 HydrophobicContact CG2-CD2 3.95Å; I696-A783 HydrophobicContact CD1-CB 3.68Å; I696-A783 HydrophobicContact CG1-CB 4.37Å; I696-A783 HydrophobicContact CG2-CB 4.34Å
697A97Very high91.2Very high0 Ų028.7 Ų28.70%017%0.165CC..EExtended strand (participates in β ladder)trans-141.2155.5-174.300000110.6I685 G686 Q705 L706 A1012 A1016I685-A697 WeakPolarHBondContact CA-O 3.25Å; G686-A697 PolarHBondContact N-O 3.46Å; G686-A697 PolarHBondContact O-N 2.91Å; A697-Q705 CarbonylContact C-O 3.56Å; A697-Q705 WeakPolarHBondContact CA-O 3.38Å; A697-Q705 WeakPolarHBondContact CB-O 3.46Å; A697-L706 HydrophobicContact CB-CD2 4.26Å; A697-A1012 HydrophobicContact CB-CB 4.19Å; A697-A1012 WeakPolarHBondContact CB-O 3.49Å; A697-A1016 HydrophobicContact CB-CB 3.86Å
698V94.6Very high91.2Very high1 Ų130.2 Ų30.21%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-130.8139-179.759.50000110.1L683 A684 I685 K700 Q705 I707 L787L683-V698 HydrophobicContact CD2-CG2 3.95Å; A684-V698 WeakPolarHBondContact O-CA 3.4Å; I685-V698 HydrophobicContact CD1-CB 3.72Å; I685-V698 HydrophobicContact CD1-CG2 3.72Å; V698-K700 HydrophobicContact CG1-CB 4.36Å; V698-K700 HydrophobicContact CG2-CB 4.4Å; V698-Q705 HydrophobicContact CG1-CB 4.36Å; V698-Q705 PolarHBondContact N-O 3.07Å; V698-Q705 PolarHBondContact O-N 2.8Å; V698-I707 HydrophobicContact CB-CD1 4.13Å; V698-I707 HydrophobicContact CB-CG1 4.45Å; V698-I707 HydrophobicContact CG1-CD1 4.14Å; V698-I707 HydrophobicContact CG1-CG1 4.01Å; V698-L787 HydrophobicContact CB-CD1 4.45Å; V698-L787 HydrophobicContact CG1-CD2 4.38Å; V698-L787 HydrophobicContact CG2-CD1 4.17Å
699W89.7Confident91Very high34 Ų3430.1 Ų30.113%0.12918%0.175CC..EExtended strand (participates in β ladder)trans-78.1117.8162.1-173.6-97000109.5A684 G702 A703 A704 I1017 A1020 S1025 D1027 I1028A684-W699 HydrophobicContact CB-CB 3.59Å; A684-W699 PolarHBondContact O-N 3.47Å; W699-G702 VanDerWaalsContact CH2-O 3.29Å; W699-G702 WeakPolarHBondContact CH2-O 3.45Å; W699-G702 VanDerWaalsContact CZ2-O 3.25Å; W699-G702 WeakPolarHBondContact CZ2-O 3.33Å; W699-A703 WeakPolarHBondContact CA-O 3.41Å; W699-A703 VanDerWaalsContact CE3-C 3.42Å; W699-A704 HydrophobicContact CE3-CB 4.12Å; W699-A704 HydrophobicContact CZ3-CB 4.4Å; W699-I1017 HydrophobicContact CE3-CG1 4.18Å; W699-I1017 HydrophobicContact CZ3-CG1 3.87Å; W699-A1020 HydrophobicContact CB-CB 3.7Å; W699-A1020 HydrophobicContact CD2-CB 3.68Å; W699-A1020 HydrophobicContact CE3-CB 4.21Å; W699-A1020 HydrophobicContact CG-CB 3.43Å; W699-A1020 VanDerWaalsContact CG-CB 3.43Å; W699-S1025 PolarHBondContact NE1-OG 3.35Å; W699-D1027 HydrophobicContact CZ2-CB 3.85Å; W699-I1028 HydrophobicContact CD2-CD1 4.05Å; W699-I1028 HydrophobicContact CE3-CD1 4.11Å; W699-I1028 HydrophobicContact CH2-CD1 3.68Å; W699-I1028 HydrophobicContact CH2-CG1 3.75Å; W699-I1028 HydrophobicContact CZ2-CD1 3.59Å; W699-I1028 HydrophobicContact CZ2-CG1 3.49Å; W699-I1028 VanDerWaalsContact CZ2-CG1 3.49Å; W699-I1028 HydrophobicContact CZ3-CD1 3.94Å; W699-I1028 HydrophobicContact CZ3-CG1 4.49Å
700K82Confident90.8Very high97 Ų9735 Ų3542%0.42220%0.195SC..EExtended strand (participates in β ladder)trans-151.5141.1-178.8-164.4-167167.4-179.70109.4V698 G702 A703 Q705V698-K700 HydrophobicContact CG1-CB 4.36Å; V698-K700 HydrophobicContact CG2-CB 4.4Å; K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 2.85Å; K700-A703 PolarHBondContact N-O 3.09Å; K700-A703 PolarHBondContact O-N 3.32Å; K700-A703 VanDerWaalsContact O-N 3.16Å; K700-Q705 PolarHBondContact O-NE2 2.84Å
701D76.3Confident90.6Very high129 Ų12940.2 Ų40.269%0.6922%0.216SC*.THydrogen-bonded Turntrans56.539.7176.7-41-50.5000112.8A703 Q705D701-A703 VanDerWaalsContact C-N 3.32Å; D701-A703 PolarHBondContact O-N 3.37Å; D701-Q705 PolarHBondContact OD2-NE2 2.83Å; D701-Q705 VanDerWaalsContact OD2-NE2 3.13Å
702G73.3Confident90.7Very high33 Ų3342.6 Ų42.634%0.3424%0.242SC..THydrogen-bonded Turntrans72.513.6-179.500000115.8W699 K700 D1027W699-G702 VanDerWaalsContact CH2-O 3.29Å; W699-G702 WeakPolarHBondContact CH2-O 3.45Å; W699-G702 VanDerWaalsContact CZ2-O 3.25Å; W699-G702 WeakPolarHBondContact CZ2-O 3.33Å; K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 2.85Å; G702-D1027 WeakPolarHBondContact CA-OD2 3.38Å
703A84.9Confident90.8Very high44 Ų4444.5 Ų44.536%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-145.7156.8179.900000113.4W699 K700 D701W699-A703 WeakPolarHBondContact CA-O 3.41Å; W699-A703 VanDerWaalsContact CE3-C 3.42Å; K700-A703 PolarHBondContact N-O 3.09Å; K700-A703 PolarHBondContact O-N 3.32Å; K700-A703 VanDerWaalsContact O-N 3.16Å; D701-A703 VanDerWaalsContact C-N 3.32Å; D701-A703 PolarHBondContact O-N 3.37Å
704A90.5Very high90.9Very high24 Ų2447.5 Ų47.520%0.19826%0.256CS..EExtended strand (participates in β ladder)trans-78.8124.7167.800000110.4W699 L1013 A1016 I1017W699-A704 HydrophobicContact CE3-CB 4.12Å; W699-A704 HydrophobicContact CZ3-CB 4.4Å; A704-L1013 HydrophobicContact CB-CB 4.24Å; A704-L1013 HydrophobicContact CB-CD2 3.91Å; A704-L1013 WeakPolarHBondContact O-CD2 3.42Å; A704-A1016 HydrophobicContact CB-CB 4.12Å; A704-I1017 HydrophobicContact CB-CD1 4.46Å; A704-I1017 HydrophobicContact CB-CG1 4.11Å
705Q93.4Very high90.7Very high66 Ų6650.5 Ų50.531%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-121.2135.7-178.3-53.2-174.628.400109.9A697 V698 K700 D701A697-Q705 CarbonylContact C-O 3.56Å; A697-Q705 WeakPolarHBondContact CA-O 3.38Å; A697-Q705 WeakPolarHBondContact CB-O 3.46Å; V698-Q705 HydrophobicContact CG1-CB 4.36Å; V698-Q705 PolarHBondContact N-O 3.07Å; V698-Q705 PolarHBondContact O-N 2.8Å; K700-Q705 PolarHBondContact O-NE2 2.84Å; D701-Q705 PolarHBondContact OD2-NE2 2.83Å; D701-Q705 VanDerWaalsContact OD2-NE2 3.13Å
706L95.9Very high90.6Very high32 Ų3250.7 Ų50.717%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-75.6139.9173.9-63.9169.2000110.5L695 A697 Y714 T1009 A1012 L1013L695-L706 HydrophobicContact CD2-CD2 4.32Å; A697-L706 HydrophobicContact CB-CD2 4.26Å; L706-Y714 HydrophobicContact CB-CD1 3.44Å; L706-Y714 VanDerWaalsContact CB-CD1 3.44Å; L706-Y714 HydrophobicContact CB-CE1 3.74Å; L706-Y714 HydrophobicContact CB-CG 3.99Å; L706-Y714 HydrophobicContact CD1-CD1 4.31Å; L706-Y714 HydrophobicContact CD1-CD2 4.23Å; L706-Y714 HydrophobicContact CD1-CG 3.99Å; L706-Y714 WeakPolarHBondContact O-CE1 3.46Å; L706-T1009 HydrophobicContact CD1-CG2 3.72Å; L706-A1012 HydrophobicContact CD2-CB 4.07Å; L706-L1013 HydrophobicContact CD2-CD2 4.02Å; L706-L1013 HydrophobicContact CD2-CG 4.24Å; L706-L1013 HydrophobicContact CG-CD2 4Å
707I96.4Very high90.4Very high3 Ų351.3 Ų51.32%0.01528%0.278CS..PPolyproline II helixtrans-94127.5174.5-63.4-176.8000108.8I685 I696 V698 A783 F786 L787I685-I707 HydrophobicContact CD1-CD1 4.43Å; I696-I707 HydrophobicContact CG1-CD1 4.4Å; I696-I707 HydrophobicContact CG2-CB 3.87Å; I696-I707 HydrophobicContact CG2-CG2 4.1Å; I696-I707 PolarHBondContact O-N 2.9Å; V698-I707 HydrophobicContact CB-CD1 4.13Å; V698-I707 HydrophobicContact CB-CG1 4.45Å; V698-I707 HydrophobicContact CG1-CD1 4.14Å; V698-I707 HydrophobicContact CG1-CG1 4.01Å; I707-A783 HydrophobicContact CD1-CB 3.53Å; I707-A783 HydrophobicContact CG2-CB 4.05Å; I707-F786 HydrophobicContact CB-CD1 4.31Å; I707-F786 HydrophobicContact CD1-CD1 4.2Å; I707-F786 HydrophobicContact CG1-CD1 3.84Å; I707-F786 HydrophobicContact CG1-CE1 4.15Å; I707-F786 HydrophobicContact CG2-CB 3.75Å; I707-F786 HydrophobicContact CG2-CD1 3.93Å; I707-F786 HydrophobicContact CG2-CG 3.89Å; I707-L787 HydrophobicContact CD1-CD1 4.05Å; I707-L787 HydrophobicContact CD1-CG 4.36Å
708P96.1Very high90.3Very high33 Ų3351.5 Ų51.521%0.21428%0.279CS..PPolyproline II helixtrans-76.8146.117432.6-33.6000111.2Y714 F786P708-Y714 HydrophobicContact CB-CD1 4.25Å; P708-Y714 HydrophobicContact CB-CE1 4.08Å; P708-F786 HydrophobicContact CG-CD2 3.92Å; P708-F786 HydrophobicContact CG-CE2 4.01Å
709N92.8Very high90.3Very high15 Ų1551.9 Ų51.98%0.0828%0.281CS..PPolyproline II helixtrans-74.2173.4167.666.730.8000112F711 G712 E713 T716 D782N709-F711 PolarHBondContact O-N 3.22Å; N709-F711 WeakPolarHBondContact OD1-CA 3.39Å; N709-F711 WeakPolarHBondContact OD1-CB 3.29Å; N709-F711 PolarHBondContact OD1-N 3.42Å; N709-G712 PolarHBondContact O-N 3.45Å; N709-G712 PolarHBondContact OD1-N 3.08Å; N709-E713 PolarHBondContact N-O 2.85Å; N709-E713 PolarHBondContact ND2-O 3.21Å; N709-E713 PolarHBondContact OD1-N 3.28Å; N709-E713 PolarHBondContact OD1-O 2.91Å; N709-T716 PolarHBondContact ND2-OG1 3.23Å; N709-D782 WeakPolarHBondContact CB-OD2 3.31Å
710K89.6Confident90.4Very high106 Ų10650.3 Ų50.346%0.46128%0.275SS..THydrogen-bonded Turntrans-51.7-11.3175.1-76.6153.2-172.8162.50116.5E781 D782 E785K710-E781 IonicContact NZ-OE2 3.97Å; K710-E781 PolarHBondContact NZ-OE2 2.92Å; K710-E781 VanDerWaalsContact NZ-OE2 3.12Å; K710-D782 VanDerWaalsContact CD-OD1 3.25Å; K710-D782 WeakPolarHBondContact CD-OD1 3.25Å; K710-D782 VanDerWaalsContact CG-OD1 3.22Å; K710-D782 WeakPolarHBondContact CG-OD1 3.46Å; K710-D782 PolarHBondContact N-OD1 3.25Å; K710-D782 VanDerWaalsContact N-OD1 3.08Å; K710-E785 WeakPolarHBondContact CE-OE2 3.38Å
711F88.4Confident90.9Very high120 Ų12045.7 Ų45.753%0.52625%0.254SS..THydrogen-bonded Turntrans-101.51.8174.6-54.4-72.9000114.1N709 K732 P733N709-F711 PolarHBondContact O-N 3.22Å; N709-F711 WeakPolarHBondContact OD1-CA 3.39Å; N709-F711 WeakPolarHBondContact OD1-CB 3.29Å; N709-F711 PolarHBondContact OD1-N 3.42Å; F711-K732 HydrophobicContact CD2-CB 4.43Å; F711-K732 HydrophobicContact CD2-CD 4.46Å; F711-K732 HydrophobicContact CE2-CB 4.39Å; F711-K732 HydrophobicContact CG-CD 4.39Å; F711-P733 HydrophobicContact CE2-CG 4.11Å; F711-P733 HydrophobicContact CZ-CG 3.74Å
712G90Very high91.4Very high58 Ų5839.6 Ų39.660%0.59822%0.222SC*.SBendtrans78.715.5-175.300000114.2N709N709-G712 PolarHBondContact O-N 3.45Å; N709-G712 PolarHBondContact OD1-N 3.08Å
713E92.3Very high92Very high76 Ų7639 Ų3936%0.35521%0.211SC..  trans-108.5141.9-177.9-66.2174.1155.300110.5N709 K732N709-E713 PolarHBondContact N-O 2.85Å; N709-E713 PolarHBondContact ND2-O 3.21Å; N709-E713 PolarHBondContact OD1-N 3.28Å; N709-E713 PolarHBondContact OD1-O 2.91Å; E713-K732 IonicContact OE1-NZ 2.68Å; E713-K732 PolarHBondContact OE1-NZ 2.9Å; E713-K732 WeakPolarHBondContact OE2-CD 3.33Å; E713-K732 IonicContact OE2-NZ 3.72Å; E713-K732 PolarHBondContact OE2-NZ 2.91Å
714Y94.6Very high91.8Very high120 Ų12042 Ų4247%0.47122%0.217SC..SBendtrans-83.4-18.3178.5-58.8-63.1000114L695 L706 P708L695-Y714 WeakPolarHBondContact CG-O 3.49Å; L706-Y714 HydrophobicContact CB-CD1 3.44Å; L706-Y714 VanDerWaalsContact CB-CD1 3.44Å; L706-Y714 HydrophobicContact CB-CE1 3.74Å; L706-Y714 HydrophobicContact CB-CG 3.99Å; L706-Y714 HydrophobicContact CD1-CD1 4.31Å; L706-Y714 HydrophobicContact CD1-CD2 4.23Å; L706-Y714 HydrophobicContact CD1-CG 3.99Å; L706-Y714 WeakPolarHBondContact O-CE1 3.46Å; P708-Y714 HydrophobicContact CB-CD1 4.25Å; P708-Y714 HydrophobicContact CB-CE1 4.08Å
715L92.6Very high91.2Very high64 Ų6446.2 Ų46.234%0.33524%0.237SC..  trans-99.9115179.5-69.2166.4000109.1N693 L695 P717N693-L715 HydrophobicContact CB-CB 4.35Å; N693-L715 HydrophobicContact CB-CD2 3.87Å; L695-L715 HydrophobicContact CD1-CD2 3.83Å; L695-L715 HydrophobicContact CD2-CD2 3.76Å; L695-L715 HydrophobicContact CD2-CG 4.46Å; L695-L715 HydrophobicContact CG-CD2 3.85Å; L715-P717 WeakPolarHBondContact O-CD 3.33Å
716T94.9Very high90.3Very high5 Ų547.6 Ų47.63%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-103111.8173.5-68.30000109.3N693 S694 N709 S718 L779N693-T716 CarbonylContact C-O 3.55Å; N693-T716 WeakPolarHBondContact CA-O 3.49Å; S694-T716 PolarHBondContact N-O 2.94Å; S694-T716 PolarHBondContact O-N 2.85Å; N709-T716 PolarHBondContact ND2-OG1 3.23Å; T716-S718 PolarHBondContact O-N 3.09Å; T716-L779 HydrophobicContact CG2-CD2 4.37Å
717P93.8Very high89.6Confident18 Ų1851.6 Ų51.612%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-57.9134.6-177.4-28.135.7000113.4T692 L715 I719 G731 V735T692-P717 WeakPolarHBondContact O-CA 3.46Å; L715-P717 WeakPolarHBondContact O-CD 3.33Å; P717-I719 HydrophobicContact CB-CG1 4.32Å; P717-I719 PolarHBondContact O-N 3.32Å; P717-G731 VanDerWaalsContact O-CA 3.29Å; P717-G731 WeakPolarHBondContact O-CA 3.43Å; P717-V735 HydrophobicContact CB-CG2 3.58Å; P717-V735 HydrophobicContact CG-CG2 3.74Å
718S94.5Very high89.2Confident3 Ų354.3 Ų54.32%0.02128%0.278CS..SBendtrans-78.653.2179.4-46.70000111.1G690 T692 N693 S694 T716 F749G690-S718 PolarHBondContact O-OG 3.23Å; T692-S718 PolarHBondContact O-N 3.09Å; N693-S718 VanDerWaalsContact C-OG 3.29Å; N693-S718 WeakPolarHBondContact CA-OG 3.22Å; N693-S718 PolarHBondContact N-OG 3.3Å; S694-S718 PolarHBondContact OG-OG 3.24Å; S694-S718 VanDerWaalsContact OG-OG 3.07Å; T716-S718 PolarHBondContact O-N 3.09Å; S718-F749 VanDerWaalsContact O-CE1 3.26Å; S718-F749 WeakPolarHBondContact O-CE1 3.24Å; S718-F749 WeakPolarHBondContact O-CZ 3.14Å
719I94Very high88.9Confident10 Ų1055.1 Ų55.15%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-129.1137.7-175.2-53.7-163.8000109P717 G731 A734 V735 T745 A746 A747P717-I719 HydrophobicContact CB-CG1 4.32Å; P717-I719 PolarHBondContact O-N 3.32Å; I719-G731 PolarHBondContact O-N 3.33Å; I719-A734 HydrophobicContact CB-CB 4.27Å; I719-A734 HydrophobicContact CG2-CB 3.88Å; I719-A734 WeakPolarHBondContact O-CB 3.23Å; I719-V735 HydrophobicContact CD1-CG2 4.03Å; I719-T745 HydrophobicContact CG2-CG2 3.55Å; I719-A746 WeakPolarHBondContact CA-O 3.36Å; I719-A747 HydrophobicContact CD1-CB 4.07Å; I719-A747 HydrophobicContact CG1-CB 3.92Å; I719-A747 HydrophobicContact CG2-CB 4.3Å
720I93Very high88.8Confident0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-126.5133.8-179.4-68.9159000108.7I728 L729 V730 T745 A746 F749 L761 L771 L774 V775I720-I728 HydrophobicContact CG2-CG2 3.91Å; I720-L729 CarbonylContact C-O 3.57Å; I720-L729 VanDerWaalsContact CA-O 3.31Å; I720-L729 WeakPolarHBondContact CA-O 3.41Å; I720-V730 HydrophobicContact CG1-CG2 4.4Å; I720-T745 CarbonylContact O-C 3.56Å; I720-T745 VanDerWaalsContact O-CA 3.31Å; I720-T745 WeakPolarHBondContact O-CA 3.24Å; I720-A746 PolarHBondContact N-O 3.43Å; I720-A746 PolarHBondContact O-N 2.96Å; I720-F749 HydrophobicContact CD1-CE1 3.96Å; I720-F749 HydrophobicContact CD1-CZ 3.85Å; I720-F749 HydrophobicContact CG1-CE1 4.45Å; I720-L761 HydrophobicContact CG2-CD1 3.97Å; I720-L771 HydrophobicContact CB-CD2 4.4Å; I720-L771 HydrophobicContact CD1-CB 3.84Å; I720-L771 HydrophobicContact CD1-CD2 3.74Å; I720-L771 HydrophobicContact CD1-CG 4.4Å; I720-L771 WeakPolarHBondContact CD1-O 3.33Å; I720-L771 HydrophobicContact CG2-CD2 4.29Å; I720-L774 HydrophobicContact CD1-CB 3.83Å; I720-L774 HydrophobicContact CD1-CD1 4.06Å; I720-L774 HydrophobicContact CG1-CB 4.46Å; I720-L774 HydrophobicContact CG2-CD1 4.39Å; I720-V775 HydrophobicContact CD1-CG2 4.17Å; I720-V775 HydrophobicContact CG1-CG2 4.45Å
721S91.2Very high88.9Confident0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-131.7149.9175.1-167.60000109.9L729 R737 K744 T745S721-L729 PolarHBondContact N-O 3.35Å; S721-L729 WeakPolarHBondContact O-CB 3.3Å; S721-L729 PolarHBondContact O-N 3.39Å; S721-R737 WeakPolarHBondContact OG-CB 3.4Å; S721-R737 PolarHBondContact OG-NE 3.34Å; S721-K744 CarbonylContact C-O 3.57Å; S721-K744 VanDerWaalsContact CA-O 3.24Å; S721-K744 WeakPolarHBondContact CA-O 3.47Å; S721-K744 PolarHBondContact OG-O 2.89Å; S721-T745 WeakPolarHBondContact CB-OG1 3.24Å; S721-T745 PolarHBondContact OG-OG1 2.86Å
722M87.9Confident88.9Confident2 Ų249 Ų491%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-106.3133.8172.9-160.5169.375.200111N726 H727 I728 R737 K744 L761M722-N726 HydrophobicContact CE-CB 4.3Å; M722-N726 WeakPolarHBondContact CE-OD1 3.16Å; M722-N726 HydrophobicContact SD-CB 4.03Å; M722-H727 WeakPolarHBondContact CA-O 3.41Å; M722-H727 WeakPolarHBondContact CG-O 3.43Å; M722-I728 HydrophobicContact CG-CD1 4.27Å; M722-I728 HydrophobicContact SD-CD1 4.33Å; M722-R737 PolarHBondContact O-NH2 2.9Å; M722-K744 PolarHBondContact N-O 3.16Å; M722-K744 WeakPolarHBondContact O-CD 3.3Å; M722-L761 HydrophobicContact CB-CB 4.38Å; M722-L761 WeakPolarHBondContact CE-O 3.49Å
723D84.4Confident88.8Confident19 Ų1948.4 Ų48.410%0.10224%0.241CC..  trans-76.4-171.317888.9-14.6000112.4N725 N726 H727 L729D723-N725 VanDerWaalsContact C-N 3.3Å; D723-N725 VanDerWaalsContact OD1-C 3.29Å; D723-N725 VanDerWaalsContact OD1-CA 3.28Å; D723-N725 WeakPolarHBondContact OD1-CA 3.32Å; D723-N725 WeakPolarHBondContact OD1-CB 3.32Å; D723-N725 PolarHBondContact OD1-N 3.37Å; D723-N725 PolarHBondContact OD2-ND2 3.14Å; D723-N726 PolarHBondContact OD1-N 3.11Å; D723-H727 PolarHBondContact N-O 2.95Å; D723-H727 IonicContact OD1-CG 3.95Å; D723-H727 PolarHBondContact OD1-N 3.5Å; D723-H727 IonicContact OD1-ND1 3.47Å; D723-H727 IonicContact OD2-CG 3.83Å; D723-H727 IonicContact OD2-ND1 3.68Å; D723-H727 PolarHBondContact OD2-ND1 3.38Å; D723-L729 HydrophobicContact CB-CD1 4.14Å
724E81.4Confident88.8Confident107 Ų10744.8 Ų44.850%0.522%0.224SC..THydrogen-bonded Turntrans-79.1-13.2179-63.464.6-132.100113.3R737 H741E724-R737 IonicContact OE1-CZ 3.53Å; E724-R737 VanDerWaalsContact OE1-CZ 3.24Å; E724-R737 IonicContact OE1-NH1 3.66Å; E724-R737 PolarHBondContact OE1-NH1 2.85Å; E724-R737 IonicContact OE1-NH2 3.79Å; E724-R737 PolarHBondContact OE1-NH2 3.33Å; E724-R737 IonicContact OE2-NH1 3.64Å; E724-R737 PolarHBondContact OE2-NH1 3.05Å; E724-H741 IonicContact OE1-CD2 2.75Å; E724-H741 IonicContact OE1-CE1 3.93Å; E724-H741 IonicContact OE1-NE2 3.29Å; E724-H741 PolarHBondContact OE1-NE2 3.26Å
725N77.8Confident88.5Confident114 Ų11442 Ų4261%0.6122%0.219SC*.THydrogen-bonded Turntrans-1057.2-179.2-50.3-69.2000112.8D723 H727D723-N725 VanDerWaalsContact C-N 3.3Å; D723-N725 VanDerWaalsContact OD1-C 3.29Å; D723-N725 VanDerWaalsContact OD1-CA 3.28Å; D723-N725 WeakPolarHBondContact OD1-CA 3.32Å; D723-N725 WeakPolarHBondContact OD1-CB 3.32Å; D723-N725 PolarHBondContact OD1-N 3.37Å; D723-N725 PolarHBondContact OD2-ND2 3.14Å; N725-H727 VanDerWaalsContact C-N 3.33Å
726N75Confident88.2Confident95 Ų9543.1 Ų43.151%0.50823%0.232SC..SBendtrans6622.4-171.5-55.9-19.2000115.3M722 D723M722-N726 HydrophobicContact CE-CB 4.3Å; M722-N726 WeakPolarHBondContact CE-OD1 3.16Å; M722-N726 HydrophobicContact SD-CB 4.03Å; D723-N726 PolarHBondContact OD1-N 3.11Å
727H81.7Confident87.9Confident116 Ų11644.3 Ų44.354%0.53724%0.236SC..  trans-76.7140.4166.6-53.8125.8000111M722 D723 N725M722-H727 WeakPolarHBondContact CA-O 3.41Å; M722-H727 WeakPolarHBondContact CG-O 3.43Å; D723-H727 PolarHBondContact N-O 2.95Å; D723-H727 IonicContact OD1-CG 3.95Å; D723-H727 PolarHBondContact OD1-N 3.5Å; D723-H727 IonicContact OD1-ND1 3.47Å; D723-H727 IonicContact OD2-CG 3.83Å; D723-H727 IonicContact OD2-ND1 3.68Å; D723-H727 PolarHBondContact OD2-ND1 3.38Å; N725-H727 VanDerWaalsContact C-N 3.33Å
728I86.9Confident87.4Confident60 Ų6046.8 Ų46.831%0.30824%0.243SC..EExtended strand (participates in β ladder)trans-84.8128.5174.4-60.8-66.4000109.4I720 M722 V730 F766 L774I720-I728 HydrophobicContact CG2-CG2 3.91Å; M722-I728 HydrophobicContact CG-CD1 4.27Å; M722-I728 HydrophobicContact SD-CD1 4.33Å; I728-V730 HydrophobicContact CG2-CG2 4.1Å; I728-F766 HydrophobicContact CD1-CZ 4.24Å; I728-L774 HydrophobicContact CG2-CD1 4Å; I728-L774 HydrophobicContact CG2-CD2 4.28Å
729L90Very high86.8Confident50 Ų5048.8 Ų48.826%0.26226%0.256SS..EExtended strand (participates in β ladder)trans-110.6135.2173.5-59.9171.4000108.3I720 S721 D723 P733I720-L729 CarbonylContact C-O 3.57Å; I720-L729 VanDerWaalsContact CA-O 3.31Å; I720-L729 WeakPolarHBondContact CA-O 3.41Å; S721-L729 PolarHBondContact N-O 3.35Å; S721-L729 WeakPolarHBondContact O-CB 3.3Å; S721-L729 PolarHBondContact O-N 3.39Å; D723-L729 HydrophobicContact CB-CD1 4.14Å; L729-P733 HydrophobicContact CB-CB 4.22Å; L729-P733 HydrophobicContact CD2-CB 4.4Å
730V91.1Very high86.3Confident27 Ų2751.4 Ų51.416%0.16428%0.275CS..EExtended strand (participates in β ladder)trans-122.6149.3-178.1-174.30000109I720 I728 P733 L774 V775I720-V730 HydrophobicContact CG1-CG2 4.4Å; I728-V730 HydrophobicContact CG2-CG2 4.1Å; V730-P733 WeakPolarHBondContact O-CD 3.4Å; V730-L774 HydrophobicContact CG2-CB 4.41Å; V730-V775 HydrophobicContact CG1-CG2 4.22Å
731G91.6Very high86Confident3 Ų353.9 Ų53.93%0.03129%0.286CS..SBendtrans71.9-139.1171.800000114P717 I719 A734 V735P717-G731 VanDerWaalsContact O-CA 3.29Å; P717-G731 WeakPolarHBondContact O-CA 3.43Å; I719-G731 PolarHBondContact O-N 3.33Å; G731-A734 WeakPolarHBondContact O-CA 3.41Å; G731-A734 WeakPolarHBondContact O-CB 3.42Å; G731-A734 PolarHBondContact O-N 3.49Å; G731-V735 PolarHBondContact O-N 3.23Å
732K88.8Confident85.6Confident83 Ų8355.5 Ų55.536%0.36130%0.297SS..Hα-helixtrans-57.7-39.3-174.9-171.4-179.8-161.4164.90114.6F711 E713 A734 V735 S736F711-K732 HydrophobicContact CD2-CB 4.43Å; F711-K732 HydrophobicContact CD2-CD 4.46Å; F711-K732 HydrophobicContact CE2-CB 4.39Å; F711-K732 HydrophobicContact CG-CD 4.39Å; E713-K732 IonicContact OE1-NZ 2.68Å; E713-K732 PolarHBondContact OE1-NZ 2.9Å; E713-K732 WeakPolarHBondContact OE2-CD 3.33Å; E713-K732 IonicContact OE2-NZ 3.72Å; E713-K732 PolarHBondContact OE2-NZ 2.91Å; K732-A734 VanDerWaalsContact C-N 3.31Å; K732-A734 PolarHBondContact O-N 3.47Å; K732-V735 PolarHBondContact O-N 3.06Å; K732-S736 PolarHBondContact O-N 2.99Å; K732-S736 VanDerWaalsContact O-N 3.13Å; K732-S736 PolarHBondContact O-OG 3.22Å
733P88.2Confident85.4Confident44 Ų4460.1 Ų60.129%0.28632%0.322SS..Hα-helixtrans-53.2-42.6165.9-30.735.9000114.1F711 L729 V730 S736F711-P733 HydrophobicContact CE2-CG 4.11Å; F711-P733 HydrophobicContact CZ-CG 3.74Å; L729-P733 HydrophobicContact CB-CB 4.22Å; L729-P733 HydrophobicContact CD2-CB 4.4Å; V730-P733 WeakPolarHBondContact O-CD 3.4Å; P733-S736 PolarHBondContact O-N 3.06Å
734A90.9Very high85.6Confident0 Ų061.5 Ų61.50%033%0.327CS..Hα-helixtrans-72.9-38.6178.500000112.7I719 G731 K732 S736 R737 R738I719-A734 HydrophobicContact CB-CB 4.27Å; I719-A734 HydrophobicContact CG2-CB 3.88Å; I719-A734 WeakPolarHBondContact O-CB 3.23Å; G731-A734 WeakPolarHBondContact O-CA 3.41Å; G731-A734 WeakPolarHBondContact O-CB 3.42Å; G731-A734 PolarHBondContact O-N 3.49Å; K732-A734 VanDerWaalsContact C-N 3.31Å; K732-A734 PolarHBondContact O-N 3.47Å; A734-S736 PolarHBondContact O-N 2.97Å; A734-R737 PolarHBondContact O-N 3.27Å; A734-R738 PolarHBondContact O-N 3.11Å
735V88.6Confident86Confident61 Ų6157.4 Ų57.437%0.3731%0.309SS..Hα-helixtrans-52.9-44.5171.61750000110.8P717 I719 G731 K732 R737 R738P717-V735 HydrophobicContact CB-CG2 3.58Å; P717-V735 HydrophobicContact CG-CG2 3.74Å; I719-V735 HydrophobicContact CD1-CG2 4.03Å; G731-V735 PolarHBondContact O-N 3.23Å; K732-V735 PolarHBondContact O-N 3.06Å; V735-R737 PolarHBondContact O-N 3.34Å; V735-R738 WeakPolarHBondContact O-CB 3.19Å; V735-R738 PolarHBondContact O-N 3.04Å; V735-R738 VanDerWaalsContact O-N 3.13Å
736S85.6Confident86.7Confident88 Ų8852 Ų5262%0.61528%0.28SS*.Hα-helixtrans-64.5-23.1-178.8-54.70000113.1K732 P733 A734K732-S736 PolarHBondContact O-N 2.99Å; K732-S736 VanDerWaalsContact O-N 3.13Å; K732-S736 PolarHBondContact O-OG 3.22Å; P733-S736 PolarHBondContact O-N 3.06Å; A734-S736 PolarHBondContact O-N 2.97Å
737R89.2Confident87.4Confident30 Ų3048.5 Ų48.511%0.11327%0.265CS..Hα-helixtrans-94.2-16.4175.7-70.6177.464.588.61114.1S721 M722 E724 A734 V735 T739 S740 H741S721-R737 WeakPolarHBondContact OG-CB 3.4Å; S721-R737 PolarHBondContact OG-NE 3.34Å; M722-R737 PolarHBondContact O-NH2 2.9Å; E724-R737 IonicContact OE1-CZ 3.53Å; E724-R737 VanDerWaalsContact OE1-CZ 3.24Å; E724-R737 IonicContact OE1-NH1 3.66Å; E724-R737 PolarHBondContact OE1-NH1 2.85Å; E724-R737 IonicContact OE1-NH2 3.79Å; E724-R737 PolarHBondContact OE1-NH2 3.33Å; E724-R737 IonicContact OE2-NH1 3.64Å; E724-R737 PolarHBondContact OE2-NH1 3.05Å; A734-R737 PolarHBondContact O-N 3.27Å; V735-R737 PolarHBondContact O-N 3.34Å; R737-T739 PolarHBondContact O-N 2.86Å; R737-S740 PolarHBondContact O-N 3.28Å; R737-S740 PolarHBondContact O-OG 3.36Å; R737-H741 CarbonylContact O-C 3.6Å; R737-H741 PolarHBondContact O-N 3.22Å
738R83.8Confident87.7Confident70 Ų7044.7 Ų44.726%0.26425%0.248SC..Hα-helixtrans-52.2-33.4179.3-171.8176.6178.9177.7-1.9113.4A734 V735 T745 E881 A908A734-R738 PolarHBondContact O-N 3.11Å; V735-R738 WeakPolarHBondContact O-CB 3.19Å; V735-R738 PolarHBondContact O-N 3.04Å; V735-R738 VanDerWaalsContact O-N 3.13Å; R738-T745 HydrophobicContact CB-CG2 4.1Å; R738-T745 HydrophobicContact CG-CG2 4.35Å; R738-E881 IonicContact NH2-OE2 3.78Å; R738-A908 WeakPolarHBondContact O-CB 2.97Å
739T82.1Confident87.8Confident46 Ų4642 Ų4228%0.28223%0.234SC..THydrogen-bonded Turntrans-83.4-38.1177.8-55.20000113.4R737 S905 A909R737-T739 PolarHBondContact O-N 2.86Å; T739-S905 WeakPolarHBondContact O-CA 3.28Å; T739-S905 VanDerWaalsContact O-CB 3.28Å; T739-S905 WeakPolarHBondContact O-CB 3.49Å; T739-S905 PolarHBondContact O-OG 2.8Å; T739-A909 HydrophobicContact CG2-CB 3.67Å
740S82.1Confident87.8Confident64 Ų6440 Ų4045%0.44822%0.223SC..THydrogen-bonded Turntrans-90.2-25.9-174.150.40000114.1R737R737-S740 PolarHBondContact O-N 3.28Å; R737-S740 PolarHBondContact O-OG 3.36Å
741H87.4Confident87.5Confident52 Ų5241.4 Ų41.424%0.24123%0.226CC..  trans-138.760-176.6-57.286.5000110.5E724 R737 D743 K744 T745E724-H741 IonicContact OE1-CD2 2.75Å; E724-H741 IonicContact OE1-CE1 3.93Å; E724-H741 IonicContact OE1-NE2 3.29Å; E724-H741 PolarHBondContact OE1-NE2 3.26Å; R737-H741 CarbonylContact O-C 3.6Å; R737-H741 PolarHBondContact O-N 3.22Å; H741-D743 VanDerWaalsContact C-N 3.27Å; H741-D743 PolarHBondContact O-N 2.84Å; H741-K744 HydrophobicContact CB-CB 4.23Å; H741-K744 CarbonylContact O-C 3.51Å; H741-K744 PolarHBondContact O-N 2.68Å; H741-K744 VanDerWaalsContact O-N 3.15Å; H741-T745 WeakPolarHBondContact O-CB 3.41Å; H741-T745 PolarHBondContact O-N 2.87Å; H741-T745 PolarHBondContact O-OG1 3.27Å
742P82.8Confident87.2Confident34 Ų3442 Ų4222%0.22123%0.23CC..G310 helixtrans-61.3-36.3-178.325.6-33.9000112.1K744 T745 E904P742-K744 PolarHBondContact O-N 2.98Å; P742-T745 PolarHBondContact O-N 3.38Å; P742-T745 VanDerWaalsContact O-N 3.15Å; P742-E904 HydrophobicContact CB-CB 4.23Å; P742-E904 HydrophobicContact CG-CB 3.55Å
743D84.3Confident87Confident100 Ų10038.2 Ų38.254%0.53521%0.214SC..G310 helixtrans-62.3-26.1175.869.6-49.8000113.8H741H741-D743 VanDerWaalsContact C-N 3.27Å; H741-D743 PolarHBondContact O-N 2.84Å
744K88.2Confident86.6Confident47 Ų4737.1 Ų37.120%0.20421%0.21CC..G310 helixtrans-104.317.5176.7-57.5-173.7179-176.20113.4S721 M722 H741 P742S721-K744 CarbonylContact C-O 3.57Å; S721-K744 VanDerWaalsContact CA-O 3.24Å; S721-K744 WeakPolarHBondContact CA-O 3.47Å; S721-K744 PolarHBondContact OG-O 2.89Å; M722-K744 PolarHBondContact N-O 3.16Å; M722-K744 WeakPolarHBondContact O-CD 3.3Å; H741-K744 HydrophobicContact CB-CB 4.23Å; H741-K744 CarbonylContact O-C 3.51Å; H741-K744 PolarHBondContact O-N 2.68Å; H741-K744 VanDerWaalsContact O-N 3.15Å; P742-K744 PolarHBondContact O-N 2.98Å
745T90.1Very high86.1Confident21 Ų2138.8 Ų38.813%0.12922%0.222CC..EExtended strand (participates in β ladder)trans-130.5118.7-174.5-55.40000112.1I719 I720 S721 R738 H741 P742I719-T745 HydrophobicContact CG2-CG2 3.55Å; I720-T745 CarbonylContact O-C 3.56Å; I720-T745 VanDerWaalsContact O-CA 3.31Å; I720-T745 WeakPolarHBondContact O-CA 3.24Å; S721-T745 WeakPolarHBondContact CB-OG1 3.24Å; S721-T745 PolarHBondContact OG-OG1 2.86Å; R738-T745 HydrophobicContact CB-CG2 4.1Å; R738-T745 HydrophobicContact CG-CG2 4.35Å; H741-T745 WeakPolarHBondContact O-CB 3.41Å; H741-T745 PolarHBondContact O-N 2.87Å; H741-T745 PolarHBondContact O-OG1 3.27Å; P742-T745 PolarHBondContact O-N 3.38Å; P742-T745 VanDerWaalsContact O-N 3.15Å
746A91.8Very high85.6Confident1 Ų143.3 Ų43.31%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-100137.4174.600000111.3I719 I720 F749 W759 L761 L771I719-A746 WeakPolarHBondContact CA-O 3.36Å; I720-A746 PolarHBondContact N-O 3.43Å; I720-A746 PolarHBondContact O-N 2.96Å; A746-F749 HydrophobicContact CB-CD1 4.38Å; A746-W759 HydrophobicContact CB-CB 4.22Å; A746-W759 HydrophobicContact CB-CG 3.97Å; A746-L761 HydrophobicContact CB-CD1 4.38Å; A746-L761 HydrophobicContact CB-CD2 4.23Å; A746-L771 HydrophobicContact CB-CD1 3.84Å; A746-L771 HydrophobicContact CB-CD2 4.21Å
747A91Very high85.5Confident22 Ų2242.1 Ų42.118%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-146.6166.5176.100000109.6I719 F749I719-A747 HydrophobicContact CD1-CB 4.07Å; I719-A747 HydrophobicContact CG1-CB 3.92Å; I719-A747 HydrophobicContact CG2-CB 4.3Å; A747-F749 PolarHBondContact O-N 3.29Å
748L86.9Confident85.3Confident36 Ų3645.4 Ų45.419%0.18825%0.253CS..  trans59.313.1176.4-50178.7000115.3T691 K750 R751 E881T691-L748 HydrophobicContact CG2-CB 4.47Å; T691-L748 HydrophobicContact CG2-CD2 3.99Å; L748-K750 PolarHBondContact O-N 3.06Å; L748-K750 VanDerWaalsContact O-N 3.1Å; L748-R751 WeakPolarHBondContact O-CB 3.24Å; L748-R751 PolarHBondContact O-N 2.87Å; L748-E881 HydrophobicContact CD1-CG 3.99Å; L748-E881 HydrophobicContact CD2-CG 3.73Å
749F90.1Very high85.5Confident4 Ų444.7 Ų44.72%0.01825%0.251CS..G310 helixtrans-62.1-21.1-175.545.3-97.7000113.7S718 I720 A746 A747 R751 A752 W759 A768 L771 V775S718-F749 VanDerWaalsContact O-CE1 3.26Å; S718-F749 WeakPolarHBondContact O-CE1 3.24Å; S718-F749 WeakPolarHBondContact O-CZ 3.14Å; I720-F749 HydrophobicContact CD1-CE1 3.96Å; I720-F749 HydrophobicContact CD1-CZ 3.85Å; I720-F749 HydrophobicContact CG1-CE1 4.45Å; A746-F749 HydrophobicContact CB-CD1 4.38Å; A747-F749 PolarHBondContact O-N 3.29Å; F749-R751 PolarHBondContact O-N 3.43Å; F749-A752 PolarHBondContact O-N 2.88Å; F749-W759 HydrophobicContact CB-CE3 4.35Å; F749-W759 HydrophobicContact CB-CH2 3.39Å; F749-W759 HydrophobicContact CB-CZ2 3.61Å; F749-W759 HydrophobicContact CB-CZ3 3.82Å; F749-A768 HydrophobicContact CB-CB 4.48Å; F749-A768 WeakPolarHBondContact O-CB 3.3Å; F749-L771 HydrophobicContact CB-CB 4.37Å; F749-L771 HydrophobicContact CB-CD1 3.75Å; F749-L771 HydrophobicContact CD1-CB 3.93Å; F749-L771 HydrophobicContact CD1-CD1 3.76Å; F749-L771 HydrophobicContact CD1-CG 4.42Å; F749-L771 HydrophobicContact CD2-CB 3.67Å; F749-L771 HydrophobicContact CE1-CB 4.11Å; F749-L771 HydrophobicContact CE2-CB 3.87Å; F749-L771 HydrophobicContact CG-CB 3.7Å; F749-L771 HydrophobicContact CG-CD1 3.76Å; F749-L771 HydrophobicContact CG-CG 4.4Å; F749-L771 HydrophobicContact CZ-CB 4.09Å; F749-V775 HydrophobicContact CE2-CG2 4.32Å; F749-V775 HydrophobicContact CZ-CG2 3.77Å
750K88.3Confident85.7Confident7 Ų751 Ų513%0.0327%0.269CS..G310 helixtrans-56.4-32.6169.3-171.8177.8176.3-170.10112.6L689 T691 L748 A752 M753 F802 E827L689-K750 WeakPolarHBondContact O-CD 3.46Å; L689-K750 WeakPolarHBondContact O-CE 3.34Å; L689-K750 PolarHBondContact O-NZ 3.44Å; T691-K750 HydrophobicContact CG2-CB 4.29Å; L748-K750 PolarHBondContact O-N 3.06Å; L748-K750 VanDerWaalsContact O-N 3.1Å; K750-A752 PolarHBondContact O-N 3.37Å; K750-A752 VanDerWaalsContact O-N 3.16Å; K750-M753 HydrophobicContact CG-CG 4.39Å; K750-M753 VanDerWaalsContact O-CG 3.31Å; K750-M753 WeakPolarHBondContact O-CG 3.43Å; K750-M753 PolarHBondContact O-N 3.38Å; K750-F802 HydrophobicContact CG-CZ 4.1Å; K750-E827 IonicContact NZ-OE1 3.7Å; K750-E827 PolarHBondContact NZ-OE1 3.15Å; K750-E827 IonicContact NZ-OE2 3.55Å
751R85Confident85.7Confident56 Ų5648 Ų4821%0.21125%0.249CC..G310 helixtrans-62-19.1174-66.5-167-177.9-150.3-4.9113T691 L748 F749 G852 G853 D882T691-R751 HydrophobicContact CG2-CG 3.9Å; L748-R751 WeakPolarHBondContact O-CB 3.24Å; L748-R751 PolarHBondContact O-N 2.87Å; F749-R751 PolarHBondContact O-N 3.43Å; R751-G852 PolarHBondContact NH2-O 3.04Å; R751-G853 PolarHBondContact NH2-O 3.24Å; R751-D882 IonicContact CZ-OD2 3.4Å; R751-D882 IonicContact NH1-OD1 2.69Å; R751-D882 PolarHBondContact NH1-OD1 3.45Å; R751-D882 IonicContact NH1-OD2 3.83Å; R751-D882 PolarHBondContact NH1-OD2 2.82Å; R751-D882 IonicContact NH2-OD1 3.08Å; R751-D882 IonicContact NH2-OD2 2.61Å; R751-D882 PolarHBondContact NH2-OD2 3.42Å
752A86.2Confident85Confident15 Ų1547.1 Ų47.112%0.12425%0.253CS..G310 helixtrans-112.215.8-178.800000114F749 K750 S755 T757 W759F749-A752 PolarHBondContact O-N 2.88Å; K750-A752 PolarHBondContact O-N 3.37Å; K750-A752 VanDerWaalsContact O-N 3.16Å; A752-S755 WeakPolarHBondContact CB-OG 3.32Å; A752-S755 WeakPolarHBondContact O-CB 3.15Å; A752-S755 PolarHBondContact O-N 2.95Å; A752-S755 VanDerWaalsContact O-N 3.16Å; A752-S755 PolarHBondContact O-OG 2.99Å; A752-T757 HydrophobicContact CB-CG2 4.2Å; A752-W759 HydrophobicContact CB-CH2 3.64Å; A752-W759 HydrophobicContact CB-CZ2 4.45Å; A752-W759 HydrophobicContact CB-CZ3 4.47Å
753M85Confident84.6Confident4 Ų449 Ų492%0.0227%0.267CS..THydrogen-bonded Turntrans-56.2144.6162.8-64.4-68.4-101.700109.4K750 S755 A768 P769 F802 Q806 H809 T810K750-M753 HydrophobicContact CG-CG 4.39Å; K750-M753 VanDerWaalsContact O-CG 3.31Å; K750-M753 WeakPolarHBondContact O-CG 3.43Å; K750-M753 PolarHBondContact O-N 3.38Å; M753-S755 VanDerWaalsContact C-N 3.25Å; M753-S755 PolarHBondContact O-N 3.07Å; M753-A768 HydrophobicContact CG-CB 4.4Å; M753-A768 HydrophobicContact SD-CB 3.75Å; M753-P769 HydrophobicContact SD-CG 4.47Å; M753-F802 HydrophobicContact CB-CE2 4.24Å; M753-F802 HydrophobicContact CB-CZ 4.33Å; M753-F802 HydrophobicContact CG-CE2 4.49Å; M753-Q806 HydrophobicContact CB-CB 4.37Å; M753-Q806 HydrophobicContact CB-CG 4.33Å; M753-Q806 WeakPolarHBondContact O-CG 3.29Å; M753-Q806 PolarHBondContact O-NE2 2.56Å; M753-H809 HydrophobicContact CB-CB 4.41Å; M753-H809 VanDerWaalsContact CE-C 3.45Å; M753-H809 HydrophobicContact CE-CB 3.89Å; M753-H809 HydrophobicContact SD-CB 3.98Å; M753-T810 WeakPolarHBondContact CE-OG1 3.35Å
754G79.1Confident84.2Confident21 Ų2148 Ų4822%0.21626%0.262CS..THydrogen-bonded Turntrans63.326.6-171.200000114.4H809G754-H809 PolarHBondContact N-ND1 3.37Å
755S81.1Confident84Confident36 Ų3649.8 Ų49.825%0.25228%0.276SS..SBendtrans-135.2158.8174.487.30000111.9A752 M753 T757A752-S755 WeakPolarHBondContact CB-OG 3.32Å; A752-S755 WeakPolarHBondContact O-CB 3.15Å; A752-S755 PolarHBondContact O-N 2.95Å; A752-S755 VanDerWaalsContact O-N 3.16Å; A752-S755 PolarHBondContact O-OG 2.99Å; M753-S755 VanDerWaalsContact C-N 3.25Å; M753-S755 PolarHBondContact O-N 3.07Å; S755-T757 PolarHBondContact O-N 3.33Å; S755-T757 VanDerWaalsContact OG-CB 3.32Å; S755-T757 WeakPolarHBondContact OG-CB 3.27Å; S755-T757 PolarHBondContact OG-N 3.28Å; S755-T757 PolarHBondContact OG-OG1 3.05Å
756N78.3Confident83.9Confident155 Ų15550.5 Ų50.583%0.82928%0.278SS*.  trans-83.126.1174.3-63.9-44.3000113
757T83.3Confident83.7Confident64 Ų6452.6 Ų52.639%0.39329%0.289SS..  trans-77.7128.8179.7-57.70000109.9A752 S755 W759A752-T757 HydrophobicContact CB-CG2 4.2Å; S755-T757 PolarHBondContact O-N 3.33Å; S755-T757 VanDerWaalsContact OG-CB 3.32Å; S755-T757 WeakPolarHBondContact OG-CB 3.27Å; S755-T757 PolarHBondContact OG-N 3.28Å; S755-T757 PolarHBondContact OG-OG1 3.05Å; T757-W759 HydrophobicContact CG2-CE3 4.45Å; T757-W759 HydrophobicContact CG2-CH2 3.79Å; T757-W759 HydrophobicContact CG2-CZ2 4.05Å; T757-W759 HydrophobicContact CG2-CZ3 3.99Å; T757-W759 WeakPolarHBondContact O-CZ3 3.42Å
758N85.3Confident83.7Confident98 Ų9851.5 Ų51.552%0.52428%0.28SS..EExtended strand (participates in β ladder)trans-122.9140.2-177.8-65.5-41.1000110.6T765 F766N758-T765 HydrophobicContact CB-CG2 3.67Å; N758-F766 CarbonylContact C-O 3.6Å; N758-F766 WeakPolarHBondContact CA-O 3.35Å
759W87.3Confident83.8Confident56 Ų5650 Ų5021%0.21227%0.272CS..EExtended strand (participates in β ladder)trans-106135.5171.9-68-101.8000109.2A746 F749 A752 T757 T765 F766 A768 L771A746-W759 HydrophobicContact CB-CB 4.22Å; A746-W759 HydrophobicContact CB-CG 3.97Å; F749-W759 HydrophobicContact CB-CE3 4.35Å; F749-W759 HydrophobicContact CB-CH2 3.39Å; F749-W759 HydrophobicContact CB-CZ2 3.61Å; F749-W759 HydrophobicContact CB-CZ3 3.82Å; A752-W759 HydrophobicContact CB-CH2 3.64Å; A752-W759 HydrophobicContact CB-CZ2 4.45Å; A752-W759 HydrophobicContact CB-CZ3 4.47Å; T757-W759 HydrophobicContact CG2-CE3 4.45Å; T757-W759 HydrophobicContact CG2-CH2 3.79Å; T757-W759 HydrophobicContact CG2-CZ2 4.05Å; T757-W759 HydrophobicContact CG2-CZ3 3.99Å; T757-W759 WeakPolarHBondContact O-CZ3 3.42Å; W759-T765 CarbonylContact O-C 3.58Å; W759-T765 WeakPolarHBondContact O-CA 3.32Å; W759-F766 PolarHBondContact N-O 3.13Å; W759-F766 PolarHBondContact O-N 2.89Å; W759-A768 HydrophobicContact CH2-CB 4.35Å; W759-A768 HydrophobicContact CZ3-CB 4.01Å; W759-L771 HydrophobicContact CB-CD1 4.16Å; W759-L771 HydrophobicContact CD2-CD1 3.66Å; W759-L771 HydrophobicContact CE3-CD1 3.46Å; W759-L771 VanDerWaalsContact CE3-CD1 3.46Å; W759-L771 HydrophobicContact CG-CD1 3.97Å; W759-L771 HydrophobicContact CZ3-CD1 4.09Å
760R86.1Confident83.8Confident177 Ų17752.9 Ų52.967%0.66829%0.286SS*.EExtended strand (participates in β ladder)trans-97.1118.1173.1-176.3178.6178.2165.13.6109G762 D764R760-G762 PolarHBondContact NE-O 2.72Å; R760-D764 WeakPolarHBondContact CA-O 3.4Å
761L83.1Confident84Confident3 Ų352.6 Ų52.62%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-113.896.1174.1-58178.9000107.2I720 M722 A746 S763 D764 F766 L771I720-L761 HydrophobicContact CG2-CD1 3.97Å; M722-L761 HydrophobicContact CB-CB 4.38Å; M722-L761 WeakPolarHBondContact CE-O 3.49Å; A746-L761 HydrophobicContact CB-CD1 4.38Å; A746-L761 HydrophobicContact CB-CD2 4.23Å; L761-S763 PolarHBondContact O-N 3.12Å; L761-D764 PolarHBondContact N-O 3.18Å; L761-D764 PolarHBondContact O-N 3.13Å; L761-F766 HydrophobicContact CB-CD2 4.09Å; L761-F766 HydrophobicContact CB-CE2 3.96Å; L761-F766 HydrophobicContact CD1-CD2 3.93Å; L761-F766 HydrophobicContact CD1-CE2 4.17Å; L761-F766 HydrophobicContact CG-CD2 4.09Å; L761-F766 HydrophobicContact CG-CE2 4.39Å; L761-L771 HydrophobicContact CD1-CD2 4.06Å
762G72.7Confident84.5Confident32 Ų3250 Ų5033%0.3328%0.275SS..THydrogen-bonded Turntrans66.2-116-174.600000114.1R760R760-G762 PolarHBondContact NE-O 2.72Å
763S73.3Confident84.9Confident74 Ų7449.6 Ų49.652%0.51727%0.271SS..THydrogen-bonded Turntrans-77.2-29175.450.10000112.8L761L761-S763 PolarHBondContact O-N 3.12Å
764D76.2Confident85.4Confident79 Ų7950.6 Ų50.642%0.42228%0.277SS..EExtended strand (participates in β ladder)trans-100.5155.9-162.2-57.2-11.8000110.7R760 L761 F766R760-D764 WeakPolarHBondContact CA-O 3.4Å; L761-D764 PolarHBondContact N-O 3.18Å; L761-D764 PolarHBondContact O-N 3.13Å; D764-F766 HydrophobicContact CB-CE2 3.71Å; D764-F766 HydrophobicContact CB-CZ 4.05Å
765T84.8Confident86.1Confident84 Ų8449.6 Ų49.652%0.51527%0.266SS..EExtended strand (participates in β ladder)trans-124.9124.6-176.1-58.80000108.6N758 W759N758-T765 HydrophobicContact CB-CG2 3.67Å; W759-T765 CarbonylContact O-C 3.58Å; W759-T765 WeakPolarHBondContact O-CA 3.32Å
766F86.5Confident86.9Confident37 Ų3747.9 Ų47.916%0.16225%0.254CS..EExtended strand (participates in β ladder)trans-118.9140.5-174.8-62.1-91.4000111I728 N758 W759 L761 D764 E770 L771I728-F766 HydrophobicContact CD1-CZ 4.24Å; N758-F766 CarbonylContact C-O 3.6Å; N758-F766 WeakPolarHBondContact CA-O 3.35Å; W759-F766 PolarHBondContact N-O 3.13Å; W759-F766 PolarHBondContact O-N 2.89Å; L761-F766 HydrophobicContact CB-CD2 4.09Å; L761-F766 HydrophobicContact CB-CE2 3.96Å; L761-F766 HydrophobicContact CD1-CD2 3.93Å; L761-F766 HydrophobicContact CD1-CE2 4.17Å; L761-F766 HydrophobicContact CG-CD2 4.09Å; L761-F766 HydrophobicContact CG-CE2 4.39Å; D764-F766 HydrophobicContact CB-CE2 3.71Å; D764-F766 HydrophobicContact CB-CZ 4.05Å; F766-E770 VanDerWaalsContact CA-OE2 3.28Å; F766-E770 WeakPolarHBondContact CA-OE2 3.45Å; F766-E770 HydrophobicContact CD1-CB 4.23Å; F766-L771 HydrophobicContact CB-CD1 4.49Å; F766-L771 HydrophobicContact CB-CD2 3.77Å; F766-L771 HydrophobicContact CB-CG 3.85Å; F766-L771 HydrophobicContact CG-CD2 4.15Å
767N88.3Confident87.7Confident44 Ų4445.3 Ų45.324%0.23523%0.233CC..EExtended strand (participates in β ladder)trans-93.717317061.851.8000112.1P769 E770 L771N767-P769 WeakPolarHBondContact OD1-CB 3.47Å; N767-P769 WeakPolarHBondContact OD1-CD 3.43Å; N767-E770 VanDerWaalsContact CG-OE2 3.23Å; N767-E770 PolarHBondContact N-OE2 3.37Å; N767-E770 PolarHBondContact ND2-OE1 3.45Å; N767-E770 PolarHBondContact ND2-OE2 3.29Å; N767-E770 VanDerWaalsContact ND2-OE2 3.11Å; N767-E770 PolarHBondContact O-N 2.97Å; N767-E770 WeakPolarHBondContact OD1-CB 3.45Å; N767-E770 VanDerWaalsContact OD1-CG 3.31Å; N767-E770 WeakPolarHBondContact OD1-CG 3.28Å; N767-E770 PolarHBondContact OD1-N 3.14Å; N767-E770 PolarHBondContact OD1-OE2 3.47Å; N767-L771 WeakPolarHBondContact O-CG 3.24Å; N767-L771 PolarHBondContact O-N 2.83Å
768A90Very high88.2Confident0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-61.6-42-178.200000114.2F749 M753 W759 S772F749-A768 HydrophobicContact CB-CB 4.48Å; F749-A768 WeakPolarHBondContact O-CB 3.3Å; M753-A768 HydrophobicContact CG-CB 4.4Å; M753-A768 HydrophobicContact SD-CB 3.75Å; W759-A768 HydrophobicContact CH2-CB 4.35Å; W759-A768 HydrophobicContact CZ3-CB 4.01Å; A768-S772 VanDerWaalsContact O-CB 3.29Å; A768-S772 WeakPolarHBondContact O-CB 3.39Å; A768-S772 PolarHBondContact O-N 3.03Å; A768-S772 PolarHBondContact O-OG 3.29Å
769P90.5Very high88.8Confident3 Ų338.8 Ų38.82%0.01920%0.198CC..Hα-helixtrans-56.2-46.7169-28.232.8000114.7M753 N767 S772 S773 H809 L812 A813M753-P769 HydrophobicContact SD-CG 4.47Å; N767-P769 WeakPolarHBondContact OD1-CB 3.47Å; N767-P769 WeakPolarHBondContact OD1-CD 3.43Å; P769-S772 PolarHBondContact O-N 2.91Å; P769-S773 PolarHBondContact O-N 2.95Å; P769-H809 HydrophobicContact CG-CB 3.86Å; P769-H809 WeakPolarHBondContact CG-ND1 3.34Å; P769-L812 HydrophobicContact CB-CD2 4.04Å; P769-L812 HydrophobicContact CB-CG 4.26Å; P769-L812 HydrophobicContact CG-CD2 4.3Å; P769-A813 WeakPolarHBondContact O-CB 3.4Å
770E89.9Confident89.2Confident66 Ų6637.9 Ų37.931%0.30820%0.195SC..Hα-helixtrans-63.7-45.8-179.3-73.9157.6-178.600111.3F766 N767 S772 S773 L774 L816F766-E770 VanDerWaalsContact CA-OE2 3.28Å; F766-E770 WeakPolarHBondContact CA-OE2 3.45Å; F766-E770 HydrophobicContact CD1-CB 4.23Å; N767-E770 VanDerWaalsContact CG-OE2 3.23Å; N767-E770 PolarHBondContact N-OE2 3.37Å; N767-E770 PolarHBondContact ND2-OE1 3.45Å; N767-E770 PolarHBondContact ND2-OE2 3.29Å; N767-E770 VanDerWaalsContact ND2-OE2 3.11Å; N767-E770 PolarHBondContact O-N 2.97Å; N767-E770 WeakPolarHBondContact OD1-CB 3.45Å; N767-E770 VanDerWaalsContact OD1-CG 3.31Å; N767-E770 WeakPolarHBondContact OD1-CG 3.28Å; N767-E770 PolarHBondContact OD1-N 3.14Å; N767-E770 PolarHBondContact OD1-OE2 3.47Å; E770-S772 PolarHBondContact O-N 2.99Å; E770-S773 WeakPolarHBondContact O-CB 3.24Å; E770-S773 PolarHBondContact O-N 2.95Å; E770-S773 PolarHBondContact O-OG 3.26Å; E770-L774 PolarHBondContact O-N 3.31Å; E770-L816 HydrophobicContact CG-CD1 4.17Å
771L92.7Very high89.5Confident0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-60.7-45.4173.7-68175.5000111.2I720 A746 F749 W759 L761 F766 N767 S773 L774 V775I720-L771 HydrophobicContact CB-CD2 4.4Å; I720-L771 HydrophobicContact CD1-CB 3.84Å; I720-L771 HydrophobicContact CD1-CD2 3.74Å; I720-L771 HydrophobicContact CD1-CG 4.4Å; I720-L771 WeakPolarHBondContact CD1-O 3.33Å; I720-L771 HydrophobicContact CG2-CD2 4.29Å; A746-L771 HydrophobicContact CB-CD1 3.84Å; A746-L771 HydrophobicContact CB-CD2 4.21Å; F749-L771 HydrophobicContact CB-CB 4.37Å; F749-L771 HydrophobicContact CB-CD1 3.75Å; F749-L771 HydrophobicContact CD1-CB 3.93Å; F749-L771 HydrophobicContact CD1-CD1 3.76Å; F749-L771 HydrophobicContact CD1-CG 4.42Å; F749-L771 HydrophobicContact CD2-CB 3.67Å; F749-L771 HydrophobicContact CE1-CB 4.11Å; F749-L771 HydrophobicContact CE2-CB 3.87Å; F749-L771 HydrophobicContact CG-CB 3.7Å; F749-L771 HydrophobicContact CG-CD1 3.76Å; F749-L771 HydrophobicContact CG-CG 4.4Å; F749-L771 HydrophobicContact CZ-CB 4.09Å; W759-L771 HydrophobicContact CB-CD1 4.16Å; W759-L771 HydrophobicContact CD2-CD1 3.66Å; W759-L771 HydrophobicContact CE3-CD1 3.46Å; W759-L771 VanDerWaalsContact CE3-CD1 3.46Å; W759-L771 HydrophobicContact CG-CD1 3.97Å; W759-L771 HydrophobicContact CZ3-CD1 4.09Å; L761-L771 HydrophobicContact CD1-CD2 4.06Å; F766-L771 HydrophobicContact CB-CD1 4.49Å; F766-L771 HydrophobicContact CB-CD2 3.77Å; F766-L771 HydrophobicContact CB-CG 3.85Å; F766-L771 HydrophobicContact CG-CD2 4.15Å; N767-L771 WeakPolarHBondContact O-CG 3.24Å; N767-L771 PolarHBondContact O-N 2.83Å; L771-S773 VanDerWaalsContact C-N 3.26Å; L771-S773 PolarHBondContact O-N 3.08Å; L771-L774 PolarHBondContact O-N 2.85Å; L771-L774 VanDerWaalsContact O-N 3.15Å; L771-V775 PolarHBondContact O-N 3.42Å
772S94.7Very high90.1Very high1 Ų133.7 Ų33.71%0.00718%0.183CC..Hα-helixtrans-59.9-36.1176-57.50000112.5A768 P769 E770 L774 V775 L776A768-S772 VanDerWaalsContact O-CB 3.29Å; A768-S772 WeakPolarHBondContact O-CB 3.39Å; A768-S772 PolarHBondContact O-N 3.03Å; A768-S772 PolarHBondContact O-OG 3.29Å; P769-S772 PolarHBondContact O-N 2.91Å; E770-S772 PolarHBondContact O-N 2.99Å; S772-L774 VanDerWaalsContact C-N 3.3Å; S772-L774 PolarHBondContact O-N 2.68Å; S772-V775 PolarHBondContact O-N 3.39Å; S772-L776 WeakPolarHBondContact O-CG 3.38Å; S772-L776 PolarHBondContact O-N 2.97Å
773S95Very high91.1Very high7 Ų732.1 Ų32.15%0.04917%0.167CC..Hα-helixtrans-64.8-31.2177.881.80000113.5P769 E770 L771 L776 R777 A813 L816 A817P769-S773 PolarHBondContact O-N 2.95Å; E770-S773 WeakPolarHBondContact O-CB 3.24Å; E770-S773 PolarHBondContact O-N 2.95Å; E770-S773 PolarHBondContact O-OG 3.26Å; L771-S773 VanDerWaalsContact C-N 3.26Å; L771-S773 PolarHBondContact O-N 3.08Å; S773-L776 PolarHBondContact O-N 2.91Å; S773-R777 VanDerWaalsContact O-CB 3.3Å; S773-R777 WeakPolarHBondContact O-CB 3.34Å; S773-R777 PolarHBondContact O-N 2.94Å; S773-A813 WeakPolarHBondContact CA-O 3.31Å; S773-A813 WeakPolarHBondContact CB-O 3.42Å; S773-L816 VanDerWaalsContact CB-CB 3.46Å; S773-A817 WeakPolarHBondContact O-CB 3.37Å
774L94.3Very high92Very high25 Ų2531.1 Ų31.113%0.13115%0.154CC..Hα-helixtrans-71.4-35.8177-64.6165.6000111.6I720 I728 V730 E770 L771 S772 S778I720-L774 HydrophobicContact CD1-CB 3.83Å; I720-L774 HydrophobicContact CD1-CD1 4.06Å; I720-L774 HydrophobicContact CG1-CB 4.46Å; I720-L774 HydrophobicContact CG2-CD1 4.39Å; I728-L774 HydrophobicContact CG2-CD1 4Å; I728-L774 HydrophobicContact CG2-CD2 4.28Å; V730-L774 HydrophobicContact CG2-CB 4.41Å; E770-L774 PolarHBondContact O-N 3.31Å; L771-L774 PolarHBondContact O-N 2.85Å; L771-L774 VanDerWaalsContact O-N 3.15Å; S772-L774 VanDerWaalsContact C-N 3.3Å; S772-L774 PolarHBondContact O-N 2.68Å; L774-S778 PolarHBondContact O-N 2.97Å; L774-S778 VanDerWaalsContact O-N 3.16Å
775V95.8Very high92.7Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-67.6-47171.8-176.60000110.9L689 I720 V730 F749 L771 S772 R777 S778 L779L689-V775 HydrophobicContact CD1-CG1 4.47Å; I720-V775 HydrophobicContact CD1-CG2 4.17Å; I720-V775 HydrophobicContact CG1-CG2 4.45Å; V730-V775 HydrophobicContact CG1-CG2 4.22Å; F749-V775 HydrophobicContact CE2-CG2 4.32Å; F749-V775 HydrophobicContact CZ-CG2 3.77Å; L771-V775 PolarHBondContact O-N 3.42Å; S772-V775 PolarHBondContact O-N 3.39Å; V775-R777 VanDerWaalsContact C-N 3.3Å; V775-R777 PolarHBondContact O-N 3.23Å; V775-S778 WeakPolarHBondContact O-CB 3.34Å; V775-S778 PolarHBondContact O-N 2.81Å; V775-L779 PolarHBondContact O-N 3.12Å
776L96.9Very high93Very high0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-61.1-37.5177.8-70.6173.6000112.2I687 L689 S772 S773 L779 K780 I796 A813 A814 A817 L819I687-L776 HydrophobicContact CD1-CD2 4.1Å; I687-L776 HydrophobicContact CG2-CD2 3.74Å; L689-L776 HydrophobicContact CD1-CD2 3.95Å; L689-L776 HydrophobicContact CD1-CG 4.07Å; L689-L776 HydrophobicContact CD2-CD1 4.24Å; L689-L776 HydrophobicContact CD2-CD2 4.38Å; L689-L776 HydrophobicContact CD2-CG 4.44Å; S772-L776 WeakPolarHBondContact O-CG 3.38Å; S772-L776 PolarHBondContact O-N 2.97Å; S773-L776 PolarHBondContact O-N 2.91Å; L776-L779 PolarHBondContact O-N 2.89Å; L776-K780 WeakPolarHBondContact O-CB 3.25Å; L776-K780 PolarHBondContact O-N 3.44Å; L776-I796 HydrophobicContact CD1-CD1 4.41Å; L776-I796 HydrophobicContact CD2-CD1 4.36Å; L776-A813 HydrophobicContact CD1-CB 3.93Å; L776-A814 HydrophobicContact CD1-CB 4.24Å; L776-A817 HydrophobicContact CB-CB 3.64Å; L776-L819 HydrophobicContact CB-CD1 4.31Å
777R94.8Very high93.1Very high101 Ų10132.6 Ų32.638%0.38115%0.153SC..Hα-helixtrans-65.6-41.9174.8-170179.6-61157.74.8112.2S773 V775 L779 K780 E781 L816 A817S773-R777 VanDerWaalsContact O-CB 3.3Å; S773-R777 WeakPolarHBondContact O-CB 3.34Å; S773-R777 PolarHBondContact O-N 2.94Å; V775-R777 VanDerWaalsContact C-N 3.3Å; V775-R777 PolarHBondContact O-N 3.23Å; R777-L779 PolarHBondContact O-N 3.14Å; R777-K780 WeakPolarHBondContact O-CB 3.35Å; R777-K780 PolarHBondContact O-N 3.08Å; R777-E781 WeakPolarHBondContact O-CG 3.48Å; R777-E781 PolarHBondContact O-N 3.36Å; R777-L816 PolarHBondContact NH2-O 3.02Å; R777-A817 HydrophobicContact CB-CB 4.34Å
778S94.9Very high93Very high23 Ų2338.3 Ų38.316%0.16118%0.178CC..Hα-helixtrans-59.4-47174.1-1710000111.5L774 V775 K780 E781 D782L774-S778 PolarHBondContact O-N 2.97Å; L774-S778 VanDerWaalsContact O-N 3.16Å; V775-S778 WeakPolarHBondContact O-CB 3.34Å; V775-S778 PolarHBondContact O-N 2.81Å; S778-K780 VanDerWaalsContact C-N 3.33Å; S778-K780 PolarHBondContact O-N 3.16Å; S778-E781 PolarHBondContact O-N 3.16Å; S778-D782 WeakPolarHBondContact O-CB 3.45Å; S778-D782 VanDerWaalsContact O-CG 3.25Å; S778-D782 PolarHBondContact O-N 3.37Å
779L96.9Very high92.5Very high3 Ų341.8 Ų41.82%0.01619%0.192CC..Hα-helixtrans-62.9-39177.4-68.6177000112.3I687 I696 T716 V775 L776 R777 A783I687-L779 HydrophobicContact CG2-CD1 3.93Å; I696-L779 HydrophobicContact CB-CB 4.29Å; I696-L779 HydrophobicContact CB-CD2 4.36Å; I696-L779 HydrophobicContact CD1-CB 4.25Å; I696-L779 HydrophobicContact CG2-CB 4.17Å; I696-L779 HydrophobicContact CG2-CD2 3.95Å; T716-L779 HydrophobicContact CG2-CD2 4.37Å; V775-L779 PolarHBondContact O-N 3.12Å; L776-L779 PolarHBondContact O-N 2.89Å; R777-L779 PolarHBondContact O-N 3.14Å; L779-A783 VanDerWaalsContact O-CB 3.32Å; L779-A783 WeakPolarHBondContact O-CB 3.43Å; L779-A783 PolarHBondContact O-N 3.33Å
780K95.2Very high92.1Very high36 Ų3646.8 Ų46.816%0.15722%0.224CC..Hα-helixtrans-58.8-53.6173176.8-177176.6163.40110.7L776 R777 S778 D782 A783 E784 I791 G818 L819L776-K780 WeakPolarHBondContact O-CB 3.25Å; L776-K780 PolarHBondContact O-N 3.44Å; R777-K780 WeakPolarHBondContact O-CB 3.35Å; R777-K780 PolarHBondContact O-N 3.08Å; S778-K780 VanDerWaalsContact C-N 3.33Å; S778-K780 PolarHBondContact O-N 3.16Å; K780-D782 PolarHBondContact O-N 3.24Å; K780-A783 CarbonylContact O-C 3.23Å; K780-A783 PolarHBondContact O-N 2.96Å; K780-A783 VanDerWaalsContact O-N 3.15Å; K780-E784 WeakPolarHBondContact CE-OE1 3.25Å; K780-E784 WeakPolarHBondContact CE-OE2 3.44Å; K780-E784 HydrophobicContact CG-CG 4.19Å; K780-E784 IonicContact NZ-OE1 3.28Å; K780-E784 WeakPolarHBondContact O-CB 3.13Å; K780-E784 WeakPolarHBondContact O-CG 3.44Å; K780-E784 PolarHBondContact O-N 2.82Å; K780-I791 WeakPolarHBondContact CE-O 3.3Å; K780-I791 PolarHBondContact NZ-O 3.07Å; K780-I791 VanDerWaalsContact NZ-O 3.08Å; K780-G818 PolarHBondContact NZ-O 3.1Å; K780-L819 HydrophobicContact CB-CD1 4.37Å; K780-L819 HydrophobicContact CB-CD2 4.24Å; K780-L819 HydrophobicContact CD-CD2 3.72Å; K780-L819 HydrophobicContact CD-CG 4.12Å; K780-L819 HydrophobicContact CG-CD2 3.97Å
781E93.8Very high91.9Very high85 Ų8544 Ų4440%0.39721%0.211SC..Hα-helixtrans-60-43.6-179.8-70.4171.9-157.400112.3K710 R777 S778 A783 E784 E785K710-E781 IonicContact NZ-OE2 3.97Å; K710-E781 PolarHBondContact NZ-OE2 2.92Å; K710-E781 VanDerWaalsContact NZ-OE2 3.12Å; R777-E781 WeakPolarHBondContact O-CG 3.48Å; R777-E781 PolarHBondContact O-N 3.36Å; S778-E781 PolarHBondContact O-N 3.16Å; E781-A783 VanDerWaalsContact C-N 3.28Å; E781-A783 PolarHBondContact O-N 3.44Å; E781-E784 PolarHBondContact O-N 3.16Å; E781-E785 WeakPolarHBondContact O-CB 3.38Å; E781-E785 PolarHBondContact O-N 3.38Å
782D95Very high91.6Very high7 Ų750.6 Ų50.64%0.03724%0.24CC..Hα-helixtrans-59.1-40.1175.9-71.4-39.3000111.2N709 K710 S778 K780 F786N709-D782 WeakPolarHBondContact CB-OD2 3.31Å; K710-D782 VanDerWaalsContact CD-OD1 3.25Å; K710-D782 WeakPolarHBondContact CD-OD1 3.25Å; K710-D782 VanDerWaalsContact CG-OD1 3.22Å; K710-D782 WeakPolarHBondContact CG-OD1 3.46Å; K710-D782 PolarHBondContact N-OD1 3.25Å; K710-D782 VanDerWaalsContact N-OD1 3.08Å; S778-D782 WeakPolarHBondContact O-CB 3.45Å; S778-D782 VanDerWaalsContact O-CG 3.25Å; S778-D782 PolarHBondContact O-N 3.37Å; K780-D782 PolarHBondContact O-N 3.24Å; D782-F786 WeakPolarHBondContact O-CB 3.49Å; D782-F786 PolarHBondContact O-N 2.91Å
783A93.8Very high91.4Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-79.3-33.2179.500000114I696 I707 L779 K780 E781 E785 F786 L787 I791I696-A783 HydrophobicContact CD1-CB 3.68Å; I696-A783 HydrophobicContact CG1-CB 4.37Å; I696-A783 HydrophobicContact CG2-CB 4.34Å; I707-A783 HydrophobicContact CD1-CB 3.53Å; I707-A783 HydrophobicContact CG2-CB 4.05Å; L779-A783 VanDerWaalsContact O-CB 3.32Å; L779-A783 WeakPolarHBondContact O-CB 3.43Å; L779-A783 PolarHBondContact O-N 3.33Å; K780-A783 CarbonylContact O-C 3.23Å; K780-A783 PolarHBondContact O-N 2.96Å; K780-A783 VanDerWaalsContact O-N 3.15Å; E781-A783 VanDerWaalsContact C-N 3.28Å; E781-A783 PolarHBondContact O-N 3.44Å; A783-E785 VanDerWaalsContact C-N 3.32Å; A783-F786 PolarHBondContact O-N 2.87Å; A783-L787 VanDerWaalsContact O-CB 3.29Å; A783-L787 WeakPolarHBondContact O-CB 3.32Å; A783-L787 WeakPolarHBondContact O-CG 3.18Å; A783-L787 PolarHBondContact O-N 3.22Å; A783-I791 HydrophobicContact CB-CD1 3.3Å
784E92.2Very high91.3Very high52 Ų5251.9 Ų51.924%0.24325%0.246CC..Hα-helixtrans-65.2-37.5170.8-71.2-179.3146.600110.7K780 E781 Q788 P790 I791K780-E784 WeakPolarHBondContact CE-OE1 3.25Å; K780-E784 WeakPolarHBondContact CE-OE2 3.44Å; K780-E784 HydrophobicContact CG-CG 4.19Å; K780-E784 IonicContact NZ-OE1 3.28Å; K780-E784 WeakPolarHBondContact O-CB 3.13Å; K780-E784 WeakPolarHBondContact O-CG 3.44Å; K780-E784 PolarHBondContact O-N 2.82Å; E781-E784 PolarHBondContact O-N 3.16Å; E784-Q788 VanDerWaalsContact O-CA 3.3Å; E784-Q788 WeakPolarHBondContact O-CA 3.36Å; E784-Q788 PolarHBondContact O-N 3.42Å; E784-P790 VanDerWaalsContact OE1-CA 3.3Å; E784-P790 WeakPolarHBondContact OE1-CA 3.22Å; E784-I791 HydrophobicContact CG-CB 4.01Å; E784-I791 HydrophobicContact CG-CD1 4.05Å; E784-I791 HydrophobicContact CG-CG1 3.88Å; E784-I791 PolarHBondContact OE1-N 3.33Å
785E91.3Very high91.3Very high109 Ų10950.8 Ų50.851%0.50924%0.24SC..Hα-helixtrans-69.2-41.3172.3-173.5171.3179.300112.2K710 E781 A783 Q788K710-E785 WeakPolarHBondContact CE-OE2 3.38Å; E781-E785 WeakPolarHBondContact O-CB 3.38Å; E781-E785 PolarHBondContact O-N 3.38Å; A783-E785 VanDerWaalsContact C-N 3.32Å; E785-Q788 PolarHBondContact O-NE2 3.25Å
786F91.5Very high91.3Very high92 Ų9250.8 Ų50.840%0.40424%0.24SC..Hα-helixtrans-68.9-37.4177.7-178.4-104.6000113.5I707 P708 D782 A783I707-F786 HydrophobicContact CB-CD1 4.31Å; I707-F786 HydrophobicContact CD1-CD1 4.2Å; I707-F786 HydrophobicContact CG1-CD1 3.84Å; I707-F786 HydrophobicContact CG1-CE1 4.15Å; I707-F786 HydrophobicContact CG2-CB 3.75Å; I707-F786 HydrophobicContact CG2-CD1 3.93Å; I707-F786 HydrophobicContact CG2-CG 3.89Å; P708-F786 HydrophobicContact CG-CD2 3.92Å; P708-F786 HydrophobicContact CG-CE2 4.01Å; D782-F786 WeakPolarHBondContact O-CB 3.49Å; D782-F786 PolarHBondContact O-N 2.91Å; A783-F786 PolarHBondContact O-N 2.87Å
787L87.6Confident91.1Very high31 Ų3150.8 Ų50.816%0.16224%0.24CC..Hα-helixtrans-96.6-10.1-176-60.1178.1000113.8L683 I685 V698 I707 A783 R789 I791L683-L787 HydrophobicContact CD1-CD1 3.55Å; L683-L787 HydrophobicContact CD2-CD1 4.15Å; L683-L787 HydrophobicContact CG-CD1 4.41Å; I685-L787 HydrophobicContact CD1-CD1 3.83Å; V698-L787 HydrophobicContact CB-CD1 4.45Å; V698-L787 HydrophobicContact CG1-CD2 4.38Å; V698-L787 HydrophobicContact CG2-CD1 4.17Å; I707-L787 HydrophobicContact CD1-CD1 4.05Å; I707-L787 HydrophobicContact CD1-CG 4.36Å; A783-L787 VanDerWaalsContact O-CB 3.29Å; A783-L787 WeakPolarHBondContact O-CB 3.32Å; A783-L787 WeakPolarHBondContact O-CG 3.18Å; A783-L787 PolarHBondContact O-N 3.22Å; L787-R789 HydrophobicContact CB-CG 4.09Å; L787-R789 PolarHBondContact O-N 2.72Å; L787-I791 HydrophobicContact CD1-CD1 4.14Å
788Q85.3Confident90.9Very high164 Ų16446 Ų4677%0.76622%0.222SC*.THydrogen-bonded Turntrans57.531.4-179.4-61.2-72.5-54.600113.8E784 E785E784-Q788 VanDerWaalsContact O-CA 3.3Å; E784-Q788 WeakPolarHBondContact O-CA 3.36Å; E784-Q788 PolarHBondContact O-N 3.42Å; E785-Q788 PolarHBondContact O-NE2 3.25Å
789R81.5Confident90.4Very high73 Ų7344.9 Ų44.928%0.27521%0.214SC..SBendtrans-153.2152.2177.757.1179-83.5-168.7-7.4111.2A681 L683 L787A681-R789 PolarHBondContact O-NH1 2.9Å; A681-R789 VanDerWaalsContact O-NH1 3.16Å; A681-R789 PolarHBondContact O-NH2 3.44Å; L683-R789 HydrophobicContact CD1-CG 3.91Å; L787-R789 HydrophobicContact CB-CG 4.09Å; L787-R789 PolarHBondContact O-N 2.72Å
790P81.7Confident89.5Confident107 Ų10745.2 Ų45.270%0.69522%0.218SC*.  trans-64.5149179.126.7-35.2000112.6E784E784-P790 VanDerWaalsContact OE1-CA 3.3Å; E784-P790 WeakPolarHBondContact OE1-CA 3.22Å
791I86.1Confident88.4Confident7 Ų746.1 Ų46.14%0.03622%0.221CC..  trans-120.1135.2179.4-62.9170.9000109.9L683 I685 K780 A783 E784 L787 V794 L819L683-I791 HydrophobicContact CD1-CG1 4.26Å; I685-I791 HydrophobicContact CD1-CD1 4.4Å; I685-I791 HydrophobicContact CG1-CG2 4.09Å; K780-I791 WeakPolarHBondContact CE-O 3.3Å; K780-I791 PolarHBondContact NZ-O 3.07Å; K780-I791 VanDerWaalsContact NZ-O 3.08Å; A783-I791 HydrophobicContact CB-CD1 3.3Å; E784-I791 HydrophobicContact CG-CB 4.01Å; E784-I791 HydrophobicContact CG-CD1 4.05Å; E784-I791 HydrophobicContact CG-CG1 3.88Å; E784-I791 PolarHBondContact OE1-N 3.33Å; L787-I791 HydrophobicContact CD1-CD1 4.14Å; I791-V794 HydrophobicContact CG2-CG1 3.97Å; I791-L819 HydrophobicContact CG2-CD2 4.07Å
792K85.9Confident87.6Confident139 Ų13942.3 Ų42.360%0.60420%0.203SC*.  trans-132.9-63.7-177.8-173.2-176.2177.6-169.70111.5L819 N820K792-L819 CarbonylContact O-C 3.47Å; K792-L819 WeakPolarHBondContact O-CA 3.49Å; K792-N820 PolarHBondContact O-N 3.13Å
793D89.1Confident86.4Confident35 Ų3543.5 Ų43.519%0.18721%0.212CC..EExtended strand (participates in β ladder)trans-86.5126.2-173.4-59.7-66.9000111.6N820 V822D793-N820 VanDerWaalsContact OD1-CB 3.31Å; D793-N820 WeakPolarHBondContact OD1-CB 3.38Å; D793-N820 PolarHBondContact OD1-ND2 3.41Å; D793-V822 HydrophobicContact CB-CG1 3.83Å; D793-V822 WeakPolarHBondContact OD1-CG1 3.11Å
794V93.8Very high85.4Confident1 Ų145 Ų451%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-142.1148-173-59.80000112.3I685 I687 I791 I796 L819 N820 A821 V822I685-V794 HydrophobicContact CB-CG1 4Å; I685-V794 HydrophobicContact CG2-CB 4.35Å; I685-V794 HydrophobicContact CG2-CG1 3.72Å; I687-V794 HydrophobicContact CD1-CB 4.13Å; I687-V794 HydrophobicContact CD1-CG1 4.08Å; I687-V794 HydrophobicContact CD1-CG2 4.16Å; I791-V794 HydrophobicContact CG2-CG1 3.97Å; V794-I796 HydrophobicContact CG2-CD1 3.93Å; V794-I796 HydrophobicContact CG2-CG1 3.79Å; V794-L819 HydrophobicContact CG1-CD1 4.47Å; V794-L819 HydrophobicContact CG1-CD2 3.93Å; V794-L819 HydrophobicContact CG2-CB 4.04Å; V794-L819 HydrophobicContact CG2-CD1 4.29Å; V794-N820 PolarHBondContact N-O 3.5Å; V794-A821 CarbonylContact O-C 2.94Å; V794-A821 WeakPolarHBondContact O-CA 3.5Å; V794-V822 WeakPolarHBondContact O-CG2 3.25Å; V794-V822 PolarHBondContact O-N 3.43Å; V794-V822 VanDerWaalsContact O-N 3.1Å
795V93.7Very high84.7Confident1 Ų147.4 Ų47.41%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-96.8130.4165.21780000108.8I685 G686 I687 V822 R823 I825 A1015 Q1018 A1019I685-V795 PolarHBondContact O-N 3.36Å; G686-V795 CarbonylContact C-O 3.56Å; G686-V795 WeakPolarHBondContact CA-O 3.37Å; I687-V795 PolarHBondContact N-O 3.39Å; V795-V822 HydrophobicContact CG2-CG2 4.2Å; V795-R823 WeakPolarHBondContact CA-O 3.25Å; V795-R823 HydrophobicContact CG1-CB 4.37Å; V795-R823 HydrophobicContact CG2-CB 4.18Å; V795-I825 HydrophobicContact CG1-CB 4.17Å; V795-I825 HydrophobicContact CG1-CG2 3.67Å; V795-A1015 HydrophobicContact CG1-CB 4.38Å; V795-Q1018 HydrophobicContact CG1-CB 4.1Å; V795-Q1018 HydrophobicContact CG1-CG 3.92Å; V795-Q1018 HydrophobicContact CG2-CG 4.34Å; V795-A1019 HydrophobicContact CB-CB 4.29Å; V795-A1019 HydrophobicContact CG2-CB 3.68Å
796I95.5Very high84.3Confident0 Ų043.4 Ų43.40%021%0.212CC..EExtended strand (participates in β ladder)trans-118.8134.9-177.3-46.5-175.3000110.9I687 L689 L776 V794 T810 A814 A821 R823 L824 I825I687-I796 HydrophobicContact CB-CG1 4.35Å; I687-I796 HydrophobicContact CB-CG2 4.41Å; I687-I796 HydrophobicContact CG2-CG2 4.32Å; I687-I796 WeakPolarHBondContact O-CA 3.34Å; L689-I796 HydrophobicContact CB-CG2 3.87Å; L776-I796 HydrophobicContact CD1-CD1 4.41Å; L776-I796 HydrophobicContact CD2-CD1 4.36Å; V794-I796 HydrophobicContact CG2-CD1 3.93Å; V794-I796 HydrophobicContact CG2-CG1 3.79Å; I796-T810 HydrophobicContact CG2-CG2 4.14Å; I796-A814 HydrophobicContact CD1-CB 3.6Å; I796-A821 HydrophobicContact CD1-CB 3.83Å; I796-A821 HydrophobicContact CG1-CB 4.18Å; I796-R823 PolarHBondContact N-O 3.42Å; I796-R823 VanDerWaalsContact N-O 3.13Å; I796-L824 HydrophobicContact CB-CD2 3.9Å; I796-L824 WeakPolarHBondContact O-CA 3.48Å; I796-I825 PolarHBondContact O-N 3.32Å
797S93.8Very high84.1Confident0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans-68.7148.4172.977.20000112.8I687 D688 L689 I825I687-S797 PolarHBondContact O-N 3.26Å; D688-S797 VanDerWaalsContact CA-OG 3.31Å; D688-S797 WeakPolarHBondContact CA-OG 3.27Å; D688-S797 PolarHBondContact OD1-OG 3.27Å; L689-S797 PolarHBondContact N-OG 3.37Å; L689-S797 VanDerWaalsContact N-OG 3.1Å; S797-I825 CarbonylContact C-O 3.55Å; S797-I825 WeakPolarHBondContact CA-O 3.41Å
798V89.8Confident83.9Confident0 Ų043.8 Ų43.80%021%0.211CC..EExtended strand (participates in β ladder)trans-144.4151.4166.2-700000110.3F802 R807 T810 L824 I825 N826 E827V798-F802 HydrophobicContact CB-CD2 4.12Å; V798-F802 HydrophobicContact CG1-CD2 4.29Å; V798-R807 HydrophobicContact CG2-CG 4.44Å; V798-T810 HydrophobicContact CG1-CG2 3.82Å; V798-L824 HydrophobicContact CG1-CD1 4.19Å; V798-L824 HydrophobicContact CG1-CD2 4.38Å; V798-L824 HydrophobicContact CG2-CB 4.32Å; V798-I825 PolarHBondContact N-O 3.31Å; V798-N826 CarbonylContact O-C 3.56Å; V798-N826 VanDerWaalsContact O-CA 3.25Å; V798-N826 WeakPolarHBondContact O-CA 3.44Å; V798-E827 VanDerWaalsContact C-CD 3.45Å; V798-E827 WeakPolarHBondContact CA-OE1 3.46Å; V798-E827 WeakPolarHBondContact O-CG 3.37Å; V798-E827 PolarHBondContact O-N 3.42Å
799P84.7Confident84.2Confident0 Ų037.9 Ų37.90%018%0.184CC..  trans-58.7144.2174.6-24.836.6000110.3Y801 F802 R807 E827 T854 D856P799-Y801 PolarHBondContact O-N 3.13Å; P799-F802 HydrophobicContact CB-CD1 3.74Å; P799-F802 HydrophobicContact CB-CE1 4.08Å; P799-F802 HydrophobicContact CB-CG 4.28Å; P799-F802 HydrophobicContact CG-CD1 3.66Å; P799-F802 HydrophobicContact CG-CE1 3.52Å; P799-F802 HydrophobicContact CG-CE2 4.42Å; P799-F802 HydrophobicContact CG-CG 4.2Å; P799-F802 HydrophobicContact CG-CZ 3.94Å; P799-F802 WeakPolarHBondContact O-CB 3.33Å; P799-F802 PolarHBondContact O-N 3.15Å; P799-F802 VanDerWaalsContact O-N 3.15Å; P799-R807 PolarHBondContact O-NH2 3.29Å; P799-E827 WeakPolarHBondContact CD-OE1 3.38Å; P799-E827 WeakPolarHBondContact CG-OE1 3.34Å; P799-T854 HydrophobicContact CG-CG2 4.38Å; P799-D856 WeakPolarHBondContact CA-OD2 3.42Å; P799-D856 WeakPolarHBondContact CB-OD2 3.44Å
800A77.7Confident84.7Confident11 Ų1134.5 Ų34.59%0.09117%0.171CC..THydrogen-bonded Turntrans-58-40-178.300000110.9F802 R807 N826 P828 D856 S872A800-F802 VanDerWaalsContact C-N 3.27Å; A800-F802 PolarHBondContact O-N 3.31Å; A800-R807 PolarHBondContact O-NH2 3.37Å; A800-N826 HydrophobicContact CB-CB 4.23Å; A800-P828 HydrophobicContact CB-CG 3.81Å; A800-D856 PolarHBondContact N-OD2 3.45Å; A800-S872 WeakPolarHBondContact CB-OG 3.39Å
801Y72.6Confident85.1Confident54 Ų5431.7 Ų31.721%0.21215%0.147CC..THydrogen-bonded Turntrans-83.914.2-177.6-144-107.2000114.9P799 D856 N876 Y1039P799-Y801 PolarHBondContact O-N 3.13Å; Y801-D856 WeakPolarHBondContact CB-OD1 3.37Å; Y801-N876 PolarHBondContact O-ND2 2.81Å; Y801-Y1039 HydrophobicContact CE1-CE1 4.45Å; Y801-Y1039 WeakPolarHBondContact CE1-OH 3.06Å
802F76.6Confident85.2Confident5 Ų534.8 Ų34.82%0.02216%0.163CC..  trans-71.2132.6171.7-96.324.3000112.6K750 M753 V798 P799 A800 Q806 R807K750-F802 HydrophobicContact CG-CZ 4.1Å; M753-F802 HydrophobicContact CB-CE2 4.24Å; M753-F802 HydrophobicContact CB-CZ 4.33Å; M753-F802 HydrophobicContact CG-CE2 4.49Å; V798-F802 HydrophobicContact CB-CD2 4.12Å; V798-F802 HydrophobicContact CG1-CD2 4.29Å; P799-F802 HydrophobicContact CB-CD1 3.74Å; P799-F802 HydrophobicContact CB-CE1 4.08Å; P799-F802 HydrophobicContact CB-CG 4.28Å; P799-F802 HydrophobicContact CG-CD1 3.66Å; P799-F802 HydrophobicContact CG-CE1 3.52Å; P799-F802 HydrophobicContact CG-CE2 4.42Å; P799-F802 HydrophobicContact CG-CG 4.2Å; P799-F802 HydrophobicContact CG-CZ 3.94Å; P799-F802 WeakPolarHBondContact O-CB 3.33Å; P799-F802 PolarHBondContact O-N 3.15Å; P799-F802 VanDerWaalsContact O-N 3.15Å; A800-F802 VanDerWaalsContact C-N 3.27Å; A800-F802 PolarHBondContact O-N 3.31Å; F802-Q806 HydrophobicContact CB-CB 4.05Å; F802-Q806 HydrophobicContact CD1-CB 4.39Å; F802-Q806 HydrophobicContact CD2-CB 3.52Å; F802-Q806 HydrophobicContact CE2-CB 3.97Å; F802-Q806 HydrophobicContact CG-CB 3.74Å; F802-R807 HydrophobicContact CB-CG 4.12Å; F802-R807 PolarHBondContact O-NE 2.95Å
803S70.6Confident85.6Confident33 Ų3328.1 Ų28.123%0.23113%0.134CC..  trans-71.4164.6174.371.40000113.2E805 Q806 R807S803-E805 PolarHBondContact O-N 2.84Å; S803-Q806 WeakPolarHBondContact O-CB 3.34Å; S803-Q806 PolarHBondContact O-N 2.81Å; S803-Q806 WeakPolarHBondContact OG-CG 3.48Å; S803-Q806 PolarHBondContact OG-N 3.08Å; S803-Q806 PolarHBondContact OG-OE1 2.84Å; S803-R807 WeakPolarHBondContact O-CG 3.38Å; S803-R807 PolarHBondContact O-N 2.61Å
804D72Confident85.7Confident31 Ų3126.5 Ų26.517%0.16613%0.125CC..Hα-helixtrans-55.4-37.1177.2-58.7-15.5000112.3R807 K808 H1146D804-R807 PolarHBondContact O-N 2.86Å; D804-K808 WeakPolarHBondContact O-CB 3.26Å; D804-K808 VanDerWaalsContact O-CG 3.24Å; D804-K808 WeakPolarHBondContact O-CG 3.41Å; D804-K808 PolarHBondContact O-N 2.78Å; D804-H1146 IonicContact OD2-CE1 3.3Å; D804-H1146 IonicContact OD2-CG 3.92Å; D804-H1146 IonicContact OD2-ND1 2.75Å; D804-H1146 PolarHBondContact OD2-ND1 3.42Å
805E77.4Confident85.6Confident102 Ų10233.3 Ų33.348%0.47716%0.157SC..Hα-helixtrans-66.7-43.6176.7-168.5179.6172.600111.7S803 R807 K808 H809S803-E805 PolarHBondContact O-N 2.84Å; E805-R807 VanDerWaalsContact C-N 3.34Å; E805-R807 PolarHBondContact O-N 2.99Å; E805-K808 WeakPolarHBondContact O-CB 3.34Å; E805-K808 PolarHBondContact O-N 2.9Å; E805-H809 PolarHBondContact O-CD2 2.95Å; E805-H809 PolarHBondContact O-N 3.34Å
806Q84.4Confident85.4Confident26 Ų2636.8 Ų36.812%0.12118%0.175CC..Hα-helixtrans-63.7-40.5175.7-66.7175.5-58.700111.5M753 F802 S803 H809 T810M753-Q806 HydrophobicContact CB-CB 4.37Å; M753-Q806 HydrophobicContact CB-CG 4.33Å; M753-Q806 WeakPolarHBondContact O-CG 3.29Å; M753-Q806 PolarHBondContact O-NE2 2.56Å; F802-Q806 HydrophobicContact CB-CB 4.05Å; F802-Q806 HydrophobicContact CD1-CB 4.39Å; F802-Q806 HydrophobicContact CD2-CB 3.52Å; F802-Q806 HydrophobicContact CE2-CB 3.97Å; F802-Q806 HydrophobicContact CG-CB 3.74Å; S803-Q806 WeakPolarHBondContact O-CB 3.34Å; S803-Q806 PolarHBondContact O-N 2.81Å; S803-Q806 WeakPolarHBondContact OG-CG 3.48Å; S803-Q806 PolarHBondContact OG-N 3.08Å; S803-Q806 PolarHBondContact OG-OE1 2.84Å; Q806-H809 WeakPolarHBondContact O-CB 3.31Å; Q806-H809 PolarHBondContact O-N 2.84Å; Q806-T810 PolarHBondContact O-N 2.84Å; Q806-T810 PolarHBondContact O-OG1 3.3Å
807R86.1Confident85.3Confident34 Ų3437 Ų3713%0.12818%0.178CC..Hα-helixtrans-66.8-37.2175.4-65.5173.1-177.3-101.4-2.1112.1V798 P799 A800 F802 S803 D804 E805 T810 R811 L824 N826 P1148V798-R807 HydrophobicContact CG2-CG 4.44Å; P799-R807 PolarHBondContact O-NH2 3.29Å; A800-R807 PolarHBondContact O-NH2 3.37Å; F802-R807 HydrophobicContact CB-CG 4.12Å; F802-R807 PolarHBondContact O-NE 2.95Å; S803-R807 WeakPolarHBondContact O-CG 3.38Å; S803-R807 PolarHBondContact O-N 2.61Å; D804-R807 PolarHBondContact O-N 2.86Å; E805-R807 VanDerWaalsContact C-N 3.34Å; E805-R807 PolarHBondContact O-N 2.99Å; R807-T810 PolarHBondContact O-N 2.78Å; R807-R811 PolarHBondContact O-N 2.75Å; R807-R811 VanDerWaalsContact O-N 3.15Å; R807-L824 HydrophobicContact CB-CD1 3.86Å; R807-L824 HydrophobicContact CG-CD1 4.35Å; R807-L824 WeakPolarHBondContact O-CD1 3.48Å; R807-N826 VanDerWaalsContact CZ-OD1 3.31Å; R807-N826 PolarHBondContact NH1-OD1 2.94Å; R807-N826 PolarHBondContact NH2-OD1 2.91Å; R807-P1148 HydrophobicContact CB-CB 4.34Å; R807-P1148 HydrophobicContact CB-CG 3.52Å
808K84.6Confident85Confident96 Ų9639 Ų3942%0.41720%0.198SC..Hα-helixtrans-60.5-45.4170.2-75168.8-174.7170.70111.2D804 E805 T810 R811 L812 P1148D804-K808 WeakPolarHBondContact O-CB 3.26Å; D804-K808 VanDerWaalsContact O-CG 3.24Å; D804-K808 WeakPolarHBondContact O-CG 3.41Å; D804-K808 PolarHBondContact O-N 2.78Å; E805-K808 WeakPolarHBondContact O-CB 3.34Å; E805-K808 PolarHBondContact O-N 2.9Å; K808-T810 VanDerWaalsContact C-N 3.32Å; K808-T810 PolarHBondContact O-N 3.06Å; K808-R811 PolarHBondContact O-N 2.95Å; K808-L812 PolarHBondContact O-N 2.79Å; K808-P1148 HydrophobicContact CB-CB 4.36Å; K808-P1148 HydrophobicContact CG-CB 3.55Å; K808-P1148 HydrophobicContact CG-CG 4.36Å
809H90.4Very high85.1Confident41 Ų4139.5 Ų39.519%0.1920%0.2CC..Hα-helixtrans-60.8-37.5176.8-80.4-137.1000112.4M753 G754 P769 E805 Q806 A813M753-H809 HydrophobicContact CB-CB 4.41Å; M753-H809 VanDerWaalsContact CE-C 3.45Å; M753-H809 HydrophobicContact CE-CB 3.89Å; M753-H809 HydrophobicContact SD-CB 3.98Å; G754-H809 PolarHBondContact N-ND1 3.37Å; P769-H809 HydrophobicContact CG-CB 3.86Å; P769-H809 WeakPolarHBondContact CG-ND1 3.34Å; E805-H809 PolarHBondContact O-CD2 2.95Å; E805-H809 PolarHBondContact O-N 3.34Å; Q806-H809 WeakPolarHBondContact O-CB 3.31Å; Q806-H809 PolarHBondContact O-N 2.84Å; H809-A813 PolarHBondContact O-N 2.86Å
810T91.8Very high85.2Confident1 Ų143.1 Ų43.11%0.00622%0.22CC..Hα-helixtrans-66.2-41.5174.2-56.40000112.5L689 M753 I796 V798 Q806 R807 K808 A813 A814 L824L689-T810 HydrophobicContact CD2-CG2 4.06Å; M753-T810 WeakPolarHBondContact CE-OG1 3.35Å; I796-T810 HydrophobicContact CG2-CG2 4.14Å; V798-T810 HydrophobicContact CG1-CG2 3.82Å; Q806-T810 PolarHBondContact O-N 2.84Å; Q806-T810 PolarHBondContact O-OG1 3.3Å; R807-T810 PolarHBondContact O-N 2.78Å; K808-T810 VanDerWaalsContact C-N 3.32Å; K808-T810 PolarHBondContact O-N 3.06Å; T810-A813 WeakPolarHBondContact O-CB 3.25Å; T810-A813 PolarHBondContact O-N 2.77Å; T810-A814 PolarHBondContact O-N 2.76Å; T810-L824 HydrophobicContact CG2-CD2 3.93Å
811R90.9Very high85.8Confident48 Ų4843 Ų4318%0.18122%0.219CC..Hα-helixtrans-65-42175.9-67-166.1174.7146.73.4111.9R807 K808 A813 A814 E815 A821 L824 P1148 V1149R807-R811 PolarHBondContact O-N 2.75Å; R807-R811 VanDerWaalsContact O-N 3.15Å; K808-R811 PolarHBondContact O-N 2.95Å; R811-A813 VanDerWaalsContact C-N 3.31Å; R811-A813 PolarHBondContact O-N 3.37Å; R811-A814 WeakPolarHBondContact O-CB 3.18Å; R811-A814 PolarHBondContact O-N 3.25Å; R811-A814 VanDerWaalsContact O-N 3.13Å; R811-E815 PolarHBondContact O-N 2.86Å; R811-A821 HydrophobicContact CG-CB 4.4Å; R811-L824 HydrophobicContact CG-CD1 3.85Å; R811-L824 HydrophobicContact CG-CD2 4.3Å; R811-L824 HydrophobicContact CG-CG 4.08Å; R811-P1148 VanDerWaalsContact NH1-CB 3.35Å; R811-V1149 VanDerWaalsContact NH1-CB 3.27Å
812L89Confident86.3Confident72 Ų7242.8 Ų42.838%0.37722%0.223SC..Hα-helixtrans-59.7-40.7174.417962.1000111.9P769 K808 A814 E815 L816P769-L812 HydrophobicContact CB-CD2 4.04Å; P769-L812 HydrophobicContact CB-CG 4.26Å; P769-L812 HydrophobicContact CG-CD2 4.3Å; K808-L812 PolarHBondContact O-N 2.79Å; L812-A814 VanDerWaalsContact C-N 3.29Å; L812-A814 PolarHBondContact O-N 2.81Å; L812-E815 PolarHBondContact O-N 3.05Å; L812-L816 HydrophobicContact CD1-CD1 4.29Å; L812-L816 HydrophobicContact CD1-CG 4.24Å; L812-L816 HydrophobicContact CG-CD1 4.07Å; L812-L816 HydrophobicContact CG-CG 4.46Å; L812-L816 WeakPolarHBondContact O-CB 3.46Å; L812-L816 VanDerWaalsContact O-CG 3.27Å; L812-L816 WeakPolarHBondContact O-CG 3.21Å; L812-L816 PolarHBondContact O-N 2.99Å
813A92.3Very high86.6Confident0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-60.9-37.5175.300000112.7P769 S773 L776 H809 T810 R811 A817P769-A813 WeakPolarHBondContact O-CB 3.4Å; S773-A813 WeakPolarHBondContact CA-O 3.31Å; S773-A813 WeakPolarHBondContact CB-O 3.42Å; L776-A813 HydrophobicContact CD1-CB 3.93Å; H809-A813 PolarHBondContact O-N 2.86Å; T810-A813 WeakPolarHBondContact O-CB 3.25Å; T810-A813 PolarHBondContact O-N 2.77Å; R811-A813 VanDerWaalsContact C-N 3.31Å; R811-A813 PolarHBondContact O-N 3.37Å; A813-A817 PolarHBondContact O-N 3.22Å
814A92.8Very high87.5Confident0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-68.5-44.8175.400000112L776 I796 T810 R811 L812 L816 A817 G818 L819 A821L776-A814 HydrophobicContact CD1-CB 4.24Å; I796-A814 HydrophobicContact CD1-CB 3.6Å; T810-A814 PolarHBondContact O-N 2.76Å; R811-A814 WeakPolarHBondContact O-CB 3.18Å; R811-A814 PolarHBondContact O-N 3.25Å; R811-A814 VanDerWaalsContact O-N 3.13Å; L812-A814 VanDerWaalsContact C-N 3.29Å; L812-A814 PolarHBondContact O-N 2.81Å; A814-L816 VanDerWaalsContact C-N 3.34Å; A814-L816 PolarHBondContact O-N 3.04Å; A814-A817 CarbonylContact O-C 3.51Å; A814-A817 WeakPolarHBondContact O-CA 3.24Å; A814-A817 WeakPolarHBondContact O-CB 3.27Å; A814-A817 PolarHBondContact O-N 3.42Å; A814-G818 PolarHBondContact O-N 3.29Å; A814-L819 CarbonylContact C-O 3.56Å; A814-L819 VanDerWaalsContact C-O 3.23Å; A814-L819 HydrophobicContact CB-CB 4.26Å; A814-L819 PolarHBondContact O-N 2.58Å; A814-L819 VanDerWaalsContact O-O 3.08Å; A814-A821 HydrophobicContact CB-CB 3.87Å
815E90.6Very high88.2Confident145 Ų14544.7 Ų44.768%0.67822%0.224SC*.Hα-helixtrans-58-46.1176.6-173179.8177.900111.4R811 L812 A817 G818 L819R811-E815 PolarHBondContact O-N 2.86Å; L812-E815 PolarHBondContact O-N 3.05Å; E815-A817 PolarHBondContact O-N 3.31Å; E815-G818 PolarHBondContact O-N 2.92Å; E815-L819 PolarHBondContact N-O 3.16Å
816L90.4Very high88.7Confident73 Ų7340.2 Ų40.238%0.38220%0.204SC..Hα-helixtrans-64.3-21.9174.7-68.9173000113.7E770 S773 R777 L812 A814 G818E770-L816 HydrophobicContact CG-CD1 4.17Å; S773-L816 VanDerWaalsContact CB-CB 3.46Å; R777-L816 PolarHBondContact NH2-O 3.02Å; L812-L816 HydrophobicContact CD1-CD1 4.29Å; L812-L816 HydrophobicContact CD1-CG 4.24Å; L812-L816 HydrophobicContact CG-CD1 4.07Å; L812-L816 HydrophobicContact CG-CG 4.46Å; L812-L816 WeakPolarHBondContact O-CB 3.46Å; L812-L816 VanDerWaalsContact O-CG 3.27Å; L812-L816 WeakPolarHBondContact O-CG 3.21Å; L812-L816 PolarHBondContact O-N 2.99Å; A814-L816 VanDerWaalsContact C-N 3.34Å; A814-L816 PolarHBondContact O-N 3.04Å; L816-G818 VanDerWaalsContact C-N 3.35Å
817A92.3Very high89Confident6 Ų639.5 Ų39.55%0.0520%0.2CC..THydrogen-bonded Turntrans-85.2-5.8172.600000113.3S773 L776 R777 A813 A814 E815 L819S773-A817 WeakPolarHBondContact O-CB 3.37Å; L776-A817 HydrophobicContact CB-CB 3.64Å; R777-A817 HydrophobicContact CB-CB 4.34Å; A813-A817 PolarHBondContact O-N 3.22Å; A814-A817 CarbonylContact O-C 3.51Å; A814-A817 WeakPolarHBondContact O-CA 3.24Å; A814-A817 WeakPolarHBondContact O-CB 3.27Å; A814-A817 PolarHBondContact O-N 3.42Å; E815-A817 PolarHBondContact O-N 3.31Å; A817-L819 HydrophobicContact CB-CD1 4.33Å; A817-L819 HydrophobicContact CB-CG 4.38Å
818G87.8Confident89Confident42 Ų4237.9 Ų37.943%0.43319%0.194SC..THydrogen-bonded Turntrans72.834.6-172.100000112.7K780 A814 E815 L816K780-G818 PolarHBondContact NZ-O 3.1Å; A814-G818 PolarHBondContact O-N 3.29Å; E815-G818 PolarHBondContact O-N 2.92Å; L816-G818 VanDerWaalsContact C-N 3.35Å
819L91.3Very high89Confident9 Ų933.5 Ų33.55%0.04718%0.176CC..  trans-119.7147.7174.9-65.4174.3000110.2I687 L776 K780 I791 K792 V794 A814 E815 A817I687-L819 HydrophobicContact CD1-CD1 3.85Å; L776-L819 HydrophobicContact CB-CD1 4.31Å; K780-L819 HydrophobicContact CB-CD1 4.37Å; K780-L819 HydrophobicContact CB-CD2 4.24Å; K780-L819 HydrophobicContact CD-CD2 3.72Å; K780-L819 HydrophobicContact CD-CG 4.12Å; K780-L819 HydrophobicContact CG-CD2 3.97Å; I791-L819 HydrophobicContact CG2-CD2 4.07Å; K792-L819 CarbonylContact O-C 3.47Å; K792-L819 WeakPolarHBondContact O-CA 3.49Å; V794-L819 HydrophobicContact CG1-CD1 4.47Å; V794-L819 HydrophobicContact CG1-CD2 3.93Å; V794-L819 HydrophobicContact CG2-CB 4.04Å; V794-L819 HydrophobicContact CG2-CD1 4.29Å; A814-L819 CarbonylContact C-O 3.56Å; A814-L819 VanDerWaalsContact C-O 3.23Å; A814-L819 HydrophobicContact CB-CB 4.26Å; A814-L819 PolarHBondContact O-N 2.58Å; A814-L819 VanDerWaalsContact O-O 3.08Å; E815-L819 PolarHBondContact N-O 3.16Å; A817-L819 HydrophobicContact CB-CD1 4.33Å; A817-L819 HydrophobicContact CB-CG 4.38Å
820N88.7Confident88.9Confident77 Ų7731.6 Ų31.641%0.41217%0.166SC..EExtended strand (participates in β ladder)trans-104108171.9179.825.4000109.3K792 D793 V794 V822K792-N820 PolarHBondContact O-N 3.13Å; D793-N820 VanDerWaalsContact OD1-CB 3.31Å; D793-N820 WeakPolarHBondContact OD1-CB 3.38Å; D793-N820 PolarHBondContact OD1-ND2 3.41Å; V794-N820 PolarHBondContact N-O 3.5Å; N820-V822 WeakPolarHBondContact ND2-CG1 3.33Å; N820-V822 PolarHBondContact O-N 3.01Å
821A88.5Confident88.8Confident9 Ų931.5 Ų31.57%0.07417%0.166CC..EExtended strand (participates in β ladder)trans-76.971.9178.100000111.2V794 I796 R811 A814 R823 L824V794-A821 CarbonylContact O-C 2.94Å; V794-A821 WeakPolarHBondContact O-CA 3.5Å; I796-A821 HydrophobicContact CD1-CB 3.83Å; I796-A821 HydrophobicContact CG1-CB 4.18Å; R811-A821 HydrophobicContact CG-CB 4.4Å; A814-A821 HydrophobicContact CB-CB 3.87Å; A821-R823 PolarHBondContact O-N 3.08Å; A821-L824 HydrophobicContact CB-CD2 4.34Å
822V83Confident88.5Confident48 Ų4829.2 Ų29.229%0.29116%0.158SC..EExtended strand (participates in β ladder)trans-53.2-29.8-174.9-68.10000113.2D793 V794 V795 N820D793-V822 HydrophobicContact CB-CG1 3.83Å; D793-V822 WeakPolarHBondContact OD1-CG1 3.11Å; V794-V822 WeakPolarHBondContact O-CG2 3.25Å; V794-V822 PolarHBondContact O-N 3.43Å; V794-V822 VanDerWaalsContact O-N 3.1Å; V795-V822 HydrophobicContact CG2-CG2 4.2Å; N820-V822 WeakPolarHBondContact ND2-CG1 3.33Å; N820-V822 PolarHBondContact O-N 3.01Å
823R84.8Confident88.2Confident89 Ų8926 Ų2634%0.33614%0.141SC..EExtended strand (participates in β ladder)trans-144.1143.9168.5-167.8168.8-178.4170.83.2109.9V795 I796 A821 Q1018V795-R823 WeakPolarHBondContact CA-O 3.25Å; V795-R823 HydrophobicContact CG1-CB 4.37Å; V795-R823 HydrophobicContact CG2-CB 4.18Å; I796-R823 PolarHBondContact N-O 3.42Å; I796-R823 VanDerWaalsContact N-O 3.13Å; A821-R823 PolarHBondContact O-N 3.08Å; R823-Q1018 VanDerWaalsContact NH1-OE1 3.13Å
824L87.5Confident87.9Confident15 Ų1526 Ų268%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-98.9135.6159.1-65-176.2000107.6I796 V798 R807 T810 R811 A821I796-L824 HydrophobicContact CB-CD2 3.9Å; I796-L824 WeakPolarHBondContact O-CA 3.48Å; V798-L824 HydrophobicContact CG1-CD1 4.19Å; V798-L824 HydrophobicContact CG1-CD2 4.38Å; V798-L824 HydrophobicContact CG2-CB 4.32Å; R807-L824 HydrophobicContact CB-CD1 3.86Å; R807-L824 HydrophobicContact CG-CD1 4.35Å; R807-L824 WeakPolarHBondContact O-CD1 3.48Å; T810-L824 HydrophobicContact CG2-CD2 3.93Å; R811-L824 HydrophobicContact CG-CD1 3.85Å; R811-L824 HydrophobicContact CG-CD2 4.3Å; R811-L824 HydrophobicContact CG-CG 4.08Å; A821-L824 HydrophobicContact CB-CD2 4.34Å
825I88.1Confident87.3Confident5 Ų526.6 Ų26.63%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-119.1143177.3-176163.5000110.1V795 I796 S797 V798 T829 A830 M833 A1015 Q1018V795-I825 HydrophobicContact CG1-CB 4.17Å; V795-I825 HydrophobicContact CG1-CG2 3.67Å; I796-I825 PolarHBondContact O-N 3.32Å; S797-I825 CarbonylContact C-O 3.55Å; S797-I825 WeakPolarHBondContact CA-O 3.41Å; V798-I825 PolarHBondContact N-O 3.31Å; I825-T829 HydrophobicContact CD1-CG2 4.09Å; I825-T829 HydrophobicContact CG1-CG2 4.09Å; I825-A830 HydrophobicContact CD1-CB 3.9Å; I825-A830 HydrophobicContact CG1-CB 4.14Å; I825-A830 HydrophobicContact CG2-CB 4.13Å; I825-M833 HydrophobicContact CD1-CE 3.21Å; I825-A1015 HydrophobicContact CG2-CB 4.32Å; I825-Q1018 HydrophobicContact CD1-CB 3.93Å; I825-Q1018 HydrophobicContact CD1-CG 3.92Å
826N87.5Confident86.2Confident9 Ų920.3 Ų20.35%0.04812%0.117CC..EExtended strand (participates in β ladder)trans-69.1133.3174.6-51.9-35.5000109.5V798 A800 R807 T829 A830 D1035V798-N826 CarbonylContact O-C 3.56Å; V798-N826 VanDerWaalsContact O-CA 3.25Å; V798-N826 WeakPolarHBondContact O-CA 3.44Å; A800-N826 HydrophobicContact CB-CB 4.23Å; R807-N826 VanDerWaalsContact CZ-OD1 3.31Å; R807-N826 PolarHBondContact NH1-OD1 2.94Å; R807-N826 PolarHBondContact NH2-OD1 2.91Å; N826-T829 CarbonylContact O-C 3.6Å; N826-T829 WeakPolarHBondContact O-CA 3.32Å; N826-T829 VanDerWaalsContact O-CB 3.25Å; N826-T829 WeakPolarHBondContact O-CB 3.35Å; N826-T829 PolarHBondContact O-N 3.17Å; N826-A830 PolarHBondContact O-N 3.01Å; N826-D1035 PolarHBondContact ND2-OD1 2.86Å; N826-D1035 PolarHBondContact ND2-OD2 2.85Å
827E89.7Confident84.7Confident10 Ų1020.1 Ų20.15%0.04712%0.116CC..Hα-helixtrans-47-52.2179.2-77.8159.3-152.600113.5K750 V798 P799 T829 A830 A831 V1011K750-E827 IonicContact NZ-OE1 3.7Å; K750-E827 PolarHBondContact NZ-OE1 3.15Å; K750-E827 IonicContact NZ-OE2 3.55Å; V798-E827 VanDerWaalsContact C-CD 3.45Å; V798-E827 WeakPolarHBondContact CA-OE1 3.46Å; V798-E827 WeakPolarHBondContact O-CG 3.37Å; V798-E827 PolarHBondContact O-N 3.42Å; P799-E827 WeakPolarHBondContact CD-OE1 3.38Å; P799-E827 WeakPolarHBondContact CG-OE1 3.34Å; E827-T829 VanDerWaalsContact C-N 3.29Å; E827-T829 PolarHBondContact O-N 2.79Å; E827-A830 PolarHBondContact O-N 3.05Å; E827-A831 PolarHBondContact O-N 3.23Å; E827-V1011 HydrophobicContact CB-CG1 4.36Å; E827-V1011 HydrophobicContact CG-CG1 4.03Å
828P87.6Confident83.1Confident0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-65.9-28.9177.123.8-34.9000113.6A800 A832 V847 T858A800-P828 HydrophobicContact CB-CG 3.81Å; P828-A832 VanDerWaalsContact O-CB 3.3Å; P828-A832 WeakPolarHBondContact O-CB 3.42Å; P828-A832 PolarHBondContact O-N 2.84Å; P828-V847 HydrophobicContact CB-CB 3.91Å; P828-V847 HydrophobicContact CB-CG1 3.64Å; P828-T858 WeakPolarHBondContact CB-OG1 3.42Å; P828-T858 WeakPolarHBondContact CG-OG1 3.11Å
829T83.7Confident81.5Confident5 Ų525.4 Ų25.43%0.03113%0.13CC..Hα-helixtrans-72.1-38.5175.7-59.30000111.9I825 N826 E827 A832 M833 L1033I825-T829 HydrophobicContact CD1-CG2 4.09Å; I825-T829 HydrophobicContact CG1-CG2 4.09Å; N826-T829 CarbonylContact O-C 3.6Å; N826-T829 WeakPolarHBondContact O-CA 3.32Å; N826-T829 VanDerWaalsContact O-CB 3.25Å; N826-T829 WeakPolarHBondContact O-CB 3.35Å; N826-T829 PolarHBondContact O-N 3.17Å; E827-T829 VanDerWaalsContact C-N 3.29Å; E827-T829 PolarHBondContact O-N 2.79Å; T829-A832 WeakPolarHBondContact O-CB 3.42Å; T829-A832 PolarHBondContact O-N 2.83Å; T829-M833 PolarHBondContact O-N 2.84Å; T829-M833 VanDerWaalsContact O-N 3.09Å; T829-L1033 HydrophobicContact CG2-CD1 3.37Å; T829-L1033 HydrophobicContact CG2-CD2 3.33Å; T829-L1033 HydrophobicContact CG2-CG 3.92Å
830A89.4Confident79.6Confident0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-62.8-50.1172.300000109.9I825 N826 E827 A832 M833 A834 V1011 G1014I825-A830 HydrophobicContact CD1-CB 3.9Å; I825-A830 HydrophobicContact CG1-CB 4.14Å; I825-A830 HydrophobicContact CG2-CB 4.13Å; N826-A830 PolarHBondContact O-N 3.01Å; E827-A830 PolarHBondContact O-N 3.05Å; A830-A832 PolarHBondContact O-N 2.95Å; A830-M833 PolarHBondContact O-N 3.32Å; A830-M833 VanDerWaalsContact O-N 3.09Å; A830-A834 PolarHBondContact O-N 3.03Å; A830-A834 VanDerWaalsContact O-N 3.14Å; A830-V1011 HydrophobicContact CB-CG1 4.14Å; A830-G1014 WeakPolarHBondContact O-CA 3.37Å
831A89.3Confident78.4Confident0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-56.8-36.217500000112.8E827 A834 Y835 V847 V980 I1010 V1011E827-A831 PolarHBondContact O-N 3.23Å; A831-A834 PolarHBondContact O-N 3.39Å; A831-Y835 PolarHBondContact O-N 3.24Å; A831-Y835 VanDerWaalsContact O-N 3.11Å; A831-V847 HydrophobicContact CB-CG1 4.35Å; A831-V980 HydrophobicContact CB-CG1 4.27Å; A831-V980 HydrophobicContact CB-CG2 3.45Å; A831-V980 VanDerWaalsContact CB-CG2 3.45Å; A831-I1010 HydrophobicContact CB-CD1 4.24Å; A831-I1010 HydrophobicContact CB-CG1 4.26Å; A831-I1010 HydrophobicContact CB-CG2 3.95Å; A831-V1011 HydrophobicContact CB-CG2 4.48Å
832A84Confident77.6Confident0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-63.3-43.517500000112.9P828 T829 A830 Y835 G836 L860 Y862P828-A832 VanDerWaalsContact O-CB 3.3Å; P828-A832 WeakPolarHBondContact O-CB 3.42Å; P828-A832 PolarHBondContact O-N 2.84Å; T829-A832 WeakPolarHBondContact O-CB 3.42Å; T829-A832 PolarHBondContact O-N 2.83Å; A830-A832 PolarHBondContact O-N 2.95Å; A832-Y835 PolarHBondContact O-N 2.85Å; A832-G836 PolarHBondContact O-N 3.19Å; A832-L860 HydrophobicContact CB-CD1 4.43Å; A832-L860 HydrophobicContact CB-CD2 3.44Å; A832-L860 VanDerWaalsContact CB-CD2 3.44Å; A832-Y862 WeakPolarHBondContact CA-OH 3.48Å; A832-Y862 VanDerWaalsContact CB-OH 3.31Å; A832-Y862 WeakPolarHBondContact CB-OH 3.27Å; A832-Y862 WeakPolarHBondContact O-CE1 3.44Å; A832-Y862 PolarHBondContact O-OH 3.03Å
833M82.8Confident77.4Confident4 Ų441.1 Ų41.12%0.0220%0.201CC..Hα-helixtrans-69-36.3177.9-72.1-172-56.300113.1I825 T829 A830 Y835 G836 L837 I867 I1017 Q1018 L1033I825-M833 HydrophobicContact CD1-CE 3.21Å; T829-M833 PolarHBondContact O-N 2.84Å; T829-M833 VanDerWaalsContact O-N 3.09Å; A830-M833 PolarHBondContact O-N 3.32Å; A830-M833 VanDerWaalsContact O-N 3.09Å; M833-Y835 VanDerWaalsContact C-N 3.25Å; M833-Y835 PolarHBondContact O-N 2.96Å; M833-G836 PolarHBondContact O-N 3.08Å; M833-L837 PolarHBondContact O-N 3.35Å; M833-I867 HydrophobicContact CG-CD1 3.78Å; M833-I1017 HydrophobicContact CB-CG2 4.13Å; M833-Q1018 HydrophobicContact CE-CB 3.57Å; M833-Q1018 HydrophobicContact CE-CG 4.15Å; M833-L1033 HydrophobicContact CG-CD1 4.29Å; M833-L1033 HydrophobicContact SD-CD1 4.23Å
834A86Confident77.6Confident1 Ų140.5 Ų40.51%0.00820%0.199CC..Hα-helixtrans-61.9-33.7172.200000112.6A830 A831 Y1005 I1010 L1013 I1017A830-A834 PolarHBondContact O-N 3.03Å; A830-A834 VanDerWaalsContact O-N 3.14Å; A831-A834 PolarHBondContact O-N 3.39Å; A834-Y1005 VanDerWaalsContact O-CE2 3.3Å; A834-Y1005 WeakPolarHBondContact O-CE2 3.39Å; A834-Y1005 PolarHBondContact O-OH 3.09Å; A834-I1010 HydrophobicContact CB-CD1 4.48Å; A834-I1010 HydrophobicContact CB-CG1 3.68Å; A834-L1013 HydrophobicContact CB-CB 4.31Å; A834-I1017 HydrophobicContact CB-CD1 4.12Å
835Y79.9Confident77.6Confident12 Ų1239.8 Ų39.85%0.04720%0.195CC..Hα-helixtrans-75.9-46173.2176.1-91000112.9A831 A832 M833 L837 H838 T839 Y862 S976 V978 Y1002A831-Y835 PolarHBondContact O-N 3.24Å; A831-Y835 VanDerWaalsContact O-N 3.11Å; A832-Y835 PolarHBondContact O-N 2.85Å; M833-Y835 VanDerWaalsContact C-N 3.25Å; M833-Y835 PolarHBondContact O-N 2.96Å; Y835-L837 PolarHBondContact O-N 2.9Å; Y835-H838 PolarHBondContact O-N 2.79Å; Y835-T839 HydrophobicContact CD1-CG2 4.38Å; Y835-T839 HydrophobicContact CE1-CG2 3.78Å; Y835-Y862 HydrophobicContact CD1-CD2 4.45Å; Y835-Y862 HydrophobicContact CD1-CE1 4.42Å; Y835-Y862 AromaticContact CD1-CE2 3.51Å; Y835-Y862 HydrophobicContact CD1-CE2 3.51Å; Y835-Y862 AromaticContact CD1-CZ 3.52Å; Y835-Y862 VanDerWaalsContact CD1-OH 3.31Å; Y835-Y862 WeakPolarHBondContact CD1-OH 3.24Å; Y835-Y862 HydrophobicContact CE1-CD2 4.28Å; Y835-Y862 AromaticContact CE1-CE2 3.62Å; Y835-Y862 HydrophobicContact CE1-CE2 3.62Å; Y835-S976 VanDerWaalsContact OH-CB 3.29Å; Y835-S976 WeakPolarHBondContact OH-CB 3.43Å; Y835-S976 PolarHBondContact OH-OG 3.49Å; Y835-S976 VanDerWaalsContact OH-OG 3.04Å; Y835-V978 HydrophobicContact CD1-CG2 4.39Å; Y835-V978 HydrophobicContact CD2-CG2 3.77Å; Y835-V978 HydrophobicContact CE2-CG2 4.05Å; Y835-V978 HydrophobicContact CG-CG2 3.95Å; Y835-Y1002 AromaticContact CD2-CD1 3.47Å; Y835-Y1002 HydrophobicContact CD2-CD1 3.47Å; Y835-Y1002 VanDerWaalsContact CD2-CD1 3.47Å; Y835-Y1002 AromaticContact CD2-CE1 3.49Å; Y835-Y1002 HydrophobicContact CD2-CE1 3.49Å; Y835-Y1002 VanDerWaalsContact CD2-CE1 3.49Å; Y835-Y1002 HydrophobicContact CD2-CG 4.08Å; Y835-Y1002 AromaticContact CE2-CD1 3.36Å; Y835-Y1002 HydrophobicContact CE2-CD1 3.36Å; Y835-Y1002 AromaticContact CE2-CD2 3.8Å; Y835-Y1002 HydrophobicContact CE2-CD2 3.8Å; Y835-Y1002 AromaticContact CE2-CE1 3.45Å; Y835-Y1002 HydrophobicContact CE2-CE1 3.45Å; Y835-Y1002 VanDerWaalsContact CE2-CE1 3.45Å; Y835-Y1002 AromaticContact CE2-CE2 3.93Å; Y835-Y1002 HydrophobicContact CE2-CE2 3.93Å; Y835-Y1002 AromaticContact CE2-CG 3.5Å; Y835-Y1002 HydrophobicContact CE2-CG 3.5Å; Y835-Y1002 AromaticContact CE2-CZ 3.75Å
836G67.8Low77.8Confident12 Ų1239.5 Ų39.512%0.12419%0.194CC..Hα-helixtrans-70.4-30.3-164.100000115.7A832 M833 H838 T839 Y862A832-G836 PolarHBondContact O-N 3.19Å; M833-G836 PolarHBondContact O-N 3.08Å; G836-H838 PolarHBondContact O-N 2.97Å; G836-T839 PolarHBondContact O-N 3.1Å; G836-T839 PolarHBondContact O-OG1 3.05Å; G836-T839 VanDerWaalsContact O-OG1 3.13Å; G836-Y862 VanDerWaalsContact CA-CE1 3.46Å
837L58.5Low78Confident70 Ų7039.1 Ų39.137%0.36619%0.191SC..THydrogen-bonded Turntrans-57.9-19179.2-76.7176.3000113.9M833 Y835 I1017 I1028 V1031M833-L837 PolarHBondContact O-N 3.35Å; Y835-L837 PolarHBondContact O-N 2.9Å; L837-I1017 HydrophobicContact CD1-CD1 3.69Å; L837-I1017 HydrophobicContact CD1-CG1 3.86Å; L837-I1017 HydrophobicContact CD1-CG2 3.8Å; L837-I1028 HydrophobicContact CD2-CG2 4.37Å; L837-V1031 HydrophobicContact CD2-CG2 4.47Å
838H58.5Low78.1Confident133 Ų13338.6 Ų38.662%0.61619%0.189SC*.THydrogen-bonded Turntrans-104.3-0.5179-62.9-48.6000114.5Y835 G836 Y1005Y835-H838 PolarHBondContact O-N 2.79Å; G836-H838 PolarHBondContact O-N 2.97Å; H838-Y1005 PolarHBondContact CD2-OH 3.36Å; H838-Y1005 PolarHBondContact NE2-OH 3.17Å
839T55.8Low78.3Confident26 Ų2638.9 Ų38.916%0.1619%0.191CC..  trans-112.994.9-176.153.90000112.5Y835 G836 Q841Y835-T839 HydrophobicContact CD1-CG2 4.38Å; Y835-T839 HydrophobicContact CE1-CG2 3.78Å; G836-T839 PolarHBondContact O-N 3.1Å; G836-T839 PolarHBondContact O-OG1 3.05Å; G836-T839 VanDerWaalsContact O-OG1 3.13Å; T839-Q841 PolarHBondContact O-N 2.91Å
840Q50.9Low78.7Confident195 Ų19538.7 Ų38.791%0.91119%0.189SC*.  trans-74.128.1175.3-65.2-170-26.300114.6
841Q62.4Low78.7Confident143 Ų14339.3 Ų39.367%0.66820%0.196SC*.SBendtrans-133.7137.3-175.8-68.5-171.3-0.200111.6T839 T843T839-Q841 PolarHBondContact O-N 2.91Å; Q841-T843 HydrophobicContact CB-CG2 4.09Å; Q841-T843 PolarHBondContact O-N 2.64Å; Q841-T843 PolarHBondContact O-OG1 3.3Å
842N71.5Confident78.5Confident112 Ų11240.1 Ų40.160%0.59920%0.204SC*.  trans-60.3111.6170.8-70.922.9000109.2Y862N842-Y862 WeakPolarHBondContact CA-O 3.46Å
843T80.3Confident78.5Confident22 Ų2240.1 Ų40.114%0.13520%0.204CC..EExtended strand (participates in β ladder)trans-142.2131.7-170.443.80000110.5Q841 E861 Y862 D975Q841-T843 HydrophobicContact CB-CG2 4.09Å; Q841-T843 PolarHBondContact O-N 2.64Å; Q841-T843 PolarHBondContact O-OG1 3.3Å; T843-E861 WeakPolarHBondContact O-CA 3.12Å; T843-Y862 PolarHBondContact N-O 2.79Å; T843-Y862 PolarHBondContact O-N 2.73Å; T843-D975 HydrophobicContact CG2-CB 4.33Å
844R88.5Confident78.6Confident76 Ų7640.3 Ų40.329%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-86.7120.4173.2-71.7179.4172.812719.6110.1L860 E861 D975 S976R844-L860 CarbonylContact C-O 3.56Å; R844-L860 WeakPolarHBondContact CA-O 3.31Å; R844-E861 HydrophobicContact CG-CB 4.13Å; R844-E861 HydrophobicContact CG-CG 3.93Å; R844-E861 IonicContact CZ-OE1 3.46Å; R844-E861 IonicContact CZ-OE2 2.66Å; R844-E861 IonicContact NE-OE1 3.19Å; R844-E861 IonicContact NE-OE2 3.77Å; R844-E861 PolarHBondContact NE-OE2 3.15Å; R844-E861 IonicContact NH2-OE1 3.65Å; R844-E861 PolarHBondContact NH2-OE1 3.25Å; R844-E861 IonicContact NH2-OE2 3.28Å; R844-E861 PolarHBondContact NH2-OE2 3.01Å; R844-D975 PolarHBondContact N-OD2 3.38Å; R844-D975 WeakPolarHBondContact O-CA 3.35Å; R844-D975 WeakPolarHBondContact O-CB 3.29Å; R844-D975 PolarHBondContact O-N 2.87Å; R844-S976 PolarHBondContact O-N 3.25Å
845S88.5Confident78.8Confident0 Ų040.2 Ų40.20%021%0.205CC..EExtended strand (participates in β ladder)trans-118.7142.8-176.2-59.70000110.7L860 Y862 S976S845-L860 PolarHBondContact N-O 2.82Å; S845-L860 PolarHBondContact O-N 3.19Å; S845-Y862 VanDerWaalsContact OG-CE2 3.28Å; S845-Y862 WeakPolarHBondContact OG-CE2 2.99Å; S845-S976 WeakPolarHBondContact CA-O 3.34Å; S845-S976 WeakPolarHBondContact CB-OG 3.34Å; S845-S976 PolarHBondContact OG-OG 3.49Å
846L91.4Very high79.2Confident0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-108.6120.2166.8-175.5144.6000108.4F848 V857 T858 V859 L964 I974 S976 L977 V978 F997L846-F848 HydrophobicContact CD2-CB 4.04Å; L846-V857 HydrophobicContact CD1-CG1 3.78Å; L846-V857 HydrophobicContact CD2-CG1 3.9Å; L846-V857 HydrophobicContact CG-CG1 3.84Å; L846-T858 WeakPolarHBondContact CA-O 3.41Å; L846-V859 HydrophobicContact CD1-CG2 4.03Å; L846-L964 HydrophobicContact CD1-CD2 4.15Å; L846-L964 HydrophobicContact CD1-CG 4.41Å; L846-I974 HydrophobicContact CB-CG2 3.81Å; L846-S976 PolarHBondContact N-O 2.98Å; L846-L977 HydrophobicContact CB-CD1 4.44Å; L846-L977 HydrophobicContact CD2-CD1 3.52Å; L846-L977 WeakPolarHBondContact O-CA 3.37Å; L846-V978 PolarHBondContact O-N 3.46Å; L846-F997 HydrophobicContact CD1-CE1 3.77Å; L846-F997 HydrophobicContact CD1-CE2 4.38Å; L846-F997 HydrophobicContact CD1-CZ 3.44Å; L846-F997 VanDerWaalsContact CD1-CZ 3.44Å; L846-F997 HydrophobicContact CD2-CE2 4.08Å; L846-F997 HydrophobicContact CD2-CZ 3.94Å; L846-F997 HydrophobicContact CG-CZ 4.25Å
847V91.3Very high80.3Confident0 Ų039.1 Ų39.10%020%0.197CC..EExtended strand (participates in β ladder)trans-89.5122170.3-170.70000107.5P828 A831 V857 T858 L860 V978 V980P828-V847 HydrophobicContact CB-CB 3.91Å; P828-V847 HydrophobicContact CB-CG1 3.64Å; A831-V847 HydrophobicContact CB-CG1 4.35Å; V847-V857 WeakPolarHBondContact O-CA 3.48Å; V847-T858 PolarHBondContact N-O 3.34Å; V847-T858 PolarHBondContact O-N 3.28Å; V847-L860 HydrophobicContact CG2-CD2 3.68Å; V847-V978 WeakPolarHBondContact CA-O 3.37Å; V847-V978 HydrophobicContact CG2-CB 4.41Å; V847-V980 HydrophobicContact CG1-CG2 3.52Å
848F91.6Very high81.8Confident0 Ų035.9 Ų35.90%018%0.18CC..EExtended strand (participates in β ladder)trans-111.4100.6178.6-176.2-71.8000107L846 L850 F855 L956 I960 L977 V978 L979 V980 V989L846-F848 HydrophobicContact CD2-CB 4.04Å; F848-L850 HydrophobicContact CD1-CB 4.31Å; F848-L850 HydrophobicContact CE1-CB 3.84Å; F848-L850 HydrophobicContact CE1-CD2 4.28Å; F848-F855 AromaticContact CD1-CE2 3.9Å; F848-F855 HydrophobicContact CD1-CE2 3.9Å; F848-F855 HydrophobicContact CD2-CE2 4.06Å; F848-F855 HydrophobicContact CD2-CZ 4.17Å; F848-F855 HydrophobicContact CE1-CD2 4.4Å; F848-F855 AromaticContact CE1-CE2 3.6Å; F848-F855 HydrophobicContact CE1-CE2 3.6Å; F848-F855 HydrophobicContact CE1-CZ 4.37Å; F848-F855 AromaticContact CE2-CE2 3.8Å; F848-F855 HydrophobicContact CE2-CE2 3.8Å; F848-F855 AromaticContact CE2-CZ 3.76Å; F848-F855 HydrophobicContact CE2-CZ 3.76Å; F848-F855 HydrophobicContact CG-CE2 4.11Å; F848-F855 AromaticContact CZ-CE2 3.53Å; F848-F855 HydrophobicContact CZ-CE2 3.53Å; F848-F855 AromaticContact CZ-CZ 3.85Å; F848-F855 HydrophobicContact CZ-CZ 3.85Å; F848-L956 HydrophobicContact CZ-CD1 4.46Å; F848-I960 HydrophobicContact CD2-CD1 4.22Å; F848-I960 HydrophobicContact CE2-CD1 3.66Å; F848-I960 HydrophobicContact CE2-CG1 4.37Å; F848-L977 HydrophobicContact CB-CD1 4.17Å; F848-V978 PolarHBondContact N-O 3.1Å; F848-L979 HydrophobicContact CB-CD2 3.87Å; F848-L979 HydrophobicContact CD1-CD2 4.08Å; F848-L979 HydrophobicContact CG-CD2 4.09Å; F848-V980 PolarHBondContact O-N 2.91Å; F848-V989 HydrophobicContact CE1-CG1 3.51Å; F848-V989 HydrophobicContact CZ-CG1 3.58Å
849D92.1Very high83.4Confident6 Ų629.5 Ų29.53%0.03215%0.151CC..EExtended strand (participates in β ladder)trans-105.4104.2-176.7-163.6-21.9000110.5F855 D856 V980D849-F855 CarbonylContact O-C 3.55Å; D849-F855 VanDerWaalsContact O-CA 3.27Å; D849-F855 WeakPolarHBondContact O-CA 3.46Å; D849-F855 VanDerWaalsContact O-CD2 3.24Å; D849-F855 WeakPolarHBondContact O-CD2 3.46Å; D849-D856 HydrophobicContact CB-CB 4.32Å; D849-D856 PolarHBondContact N-O 2.96Å; D849-D856 PolarHBondContact O-N 2.78Å; D849-V980 WeakPolarHBondContact CA-O 3.46Å; D849-V980 HydrophobicContact CB-CB 3.88Å; D849-V980 HydrophobicContact CB-CG1 4.29Å; D849-V980 VanDerWaalsContact CG-CG1 3.47Å; D849-V980 VanDerWaalsContact OD2-CG1 3.26Å; D849-V980 WeakPolarHBondContact OD2-CG1 3.34Å
850L92.1Very high84.9Confident0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-118.387.1176.6-173.963.3000109.5F848 F855 F883 L956 V980 G981 A983 S984 V989F848-L850 HydrophobicContact CD1-CB 4.31Å; F848-L850 HydrophobicContact CE1-CB 3.84Å; F848-L850 HydrophobicContact CE1-CD2 4.28Å; L850-F855 HydrophobicContact CB-CD2 3.9Å; L850-F855 HydrophobicContact CB-CE2 4.4Å; L850-F855 HydrophobicContact CD1-CB 3.73Å; L850-F855 HydrophobicContact CD1-CD2 3.66Å; L850-F855 HydrophobicContact CD1-CG 3.95Å; L850-F855 HydrophobicContact CG-CD2 4.32Å; L850-F883 HydrophobicContact CD2-CE2 4.35Å; L850-L956 HydrophobicContact CD1-CD2 3.8Å; L850-L956 HydrophobicContact CD2-CD1 4.32Å; L850-L956 HydrophobicContact CD2-CD2 4.07Å; L850-V980 PolarHBondContact N-O 3.22Å; L850-G981 CarbonylContact O-C 3.5Å; L850-G981 VanDerWaalsContact O-C 3.32Å; L850-G981 WeakPolarHBondContact O-CA 3.36Å; L850-A983 HydrophobicContact CD2-CB 4.14Å; L850-A983 HydrophobicContact CG-CB 3.91Å; L850-A983 WeakPolarHBondContact O-CB 3.35Å; L850-A983 PolarHBondContact O-N 3.02Å; L850-A983 VanDerWaalsContact O-N 3.15Å; L850-S984 PolarHBondContact O-N 3.46Å; L850-V989 HydrophobicContact CD2-CG1 3.88Å; L850-V989 HydrophobicContact CD2-CG2 3.96Å
851G89Confident86.5Confident14 Ų1420.6 Ų20.614%0.14411%0.107CC..  trans-75.8-170.4173.100000113.2G853 T854 G879 G880G851-G853 VanDerWaalsContact C-N 3.32Å; G851-T854 PolarHBondContact N-O 3.18Å; G851-T854 VanDerWaalsContact N-O 3.14Å; G851-G879 CarbonylContact O-C 3.6Å; G851-G879 VanDerWaalsContact O-CA 3.27Å; G851-G879 WeakPolarHBondContact O-CA 2.89Å; G851-G880 PolarHBondContact O-N 2.98Å
852G85.2Confident87.3Confident17 Ų1714 Ų1418%0.1758%0.076CC..SBendtrans-73.1-23.8171.700000113.7R751 G879 G880 E881R751-G852 PolarHBondContact NH2-O 3.04Å; G852-G879 CarbonylContact O-C 3.6Å; G852-G880 PolarHBondContact O-N 3.01Å; G852-E881 VanDerWaalsContact O-CG 3.32Å; G852-E881 WeakPolarHBondContact O-CG 3.31Å; G852-E881 PolarHBondContact O-N 3.47Å
853G83.9Confident87.2Confident0 Ų010.2 Ų10.20%06%0.061CC..SBendtrans-108.4-39.9-172.200000116.4R751 G851R751-G853 PolarHBondContact NH2-O 3.24Å; G851-G853 VanDerWaalsContact C-N 3.32Å
854T85.2Confident86.3Confident7 Ų712.9 Ų12.94%0.0438%0.077CC..  trans-139.1151.4-158.546.40000109.2P799 G851 L878P799-T854 HydrophobicContact CG-CG2 4.38Å; G851-T854 PolarHBondContact N-O 3.18Å; G851-T854 VanDerWaalsContact N-O 3.14Å; T854-L878 CarbonylContact C-O 3.59Å; T854-L878 VanDerWaalsContact CA-O 3.28Å; T854-L878 WeakPolarHBondContact CA-O 3.34Å; T854-L878 PolarHBondContact N-O 3.18Å
855F90.5Very high85.1Confident0 Ų012.2 Ų12.20%08%0.082CC..EExtended strand (participates in β ladder)trans-126.4115.6174.2175.9-122.7000109.3F848 D849 L850 V857 G874 D875 L878 L956 P959 I960F848-F855 AromaticContact CD1-CE2 3.9Å; F848-F855 HydrophobicContact CD1-CE2 3.9Å; F848-F855 HydrophobicContact CD2-CE2 4.06Å; F848-F855 HydrophobicContact CD2-CZ 4.17Å; F848-F855 HydrophobicContact CE1-CD2 4.4Å; F848-F855 AromaticContact CE1-CE2 3.6Å; F848-F855 HydrophobicContact CE1-CE2 3.6Å; F848-F855 HydrophobicContact CE1-CZ 4.37Å; F848-F855 AromaticContact CE2-CE2 3.8Å; F848-F855 HydrophobicContact CE2-CE2 3.8Å; F848-F855 AromaticContact CE2-CZ 3.76Å; F848-F855 HydrophobicContact CE2-CZ 3.76Å; F848-F855 HydrophobicContact CG-CE2 4.11Å; F848-F855 AromaticContact CZ-CE2 3.53Å; F848-F855 HydrophobicContact CZ-CE2 3.53Å; F848-F855 AromaticContact CZ-CZ 3.85Å; F848-F855 HydrophobicContact CZ-CZ 3.85Å; D849-F855 CarbonylContact O-C 3.55Å; D849-F855 VanDerWaalsContact O-CA 3.27Å; D849-F855 WeakPolarHBondContact O-CA 3.46Å; D849-F855 VanDerWaalsContact O-CD2 3.24Å; D849-F855 WeakPolarHBondContact O-CD2 3.46Å; L850-F855 HydrophobicContact CB-CD2 3.9Å; L850-F855 HydrophobicContact CB-CE2 4.4Å; L850-F855 HydrophobicContact CD1-CB 3.73Å; L850-F855 HydrophobicContact CD1-CD2 3.66Å; L850-F855 HydrophobicContact CD1-CG 3.95Å; L850-F855 HydrophobicContact CG-CD2 4.32Å; F855-V857 HydrophobicContact CE1-CG2 3.65Å; F855-V857 HydrophobicContact CE2-CG2 3.77Å; F855-V857 HydrophobicContact CZ-CG2 3.21Å; F855-G874 CarbonylContact O-C 3.52Å; F855-G874 WeakPolarHBondContact O-CA 3.42Å; F855-D875 PolarHBondContact N-O 2.66Å; F855-D875 PolarHBondContact O-N 2.82Å; F855-L878 HydrophobicContact CB-CB 4.26Å; F855-L878 HydrophobicContact CB-CD2 4.19Å; F855-L878 HydrophobicContact CB-CG 4.24Å; F855-L878 WeakPolarHBondContact CB-O 3.45Å; F855-L878 HydrophobicContact CD1-CD2 4.09Å; F855-L878 HydrophobicContact CG-CD2 4.39Å; F855-L878 PolarHBondContact N-O 3.21Å; F855-L956 HydrophobicContact CB-CD2 4.43Å; F855-L956 HydrophobicContact CD1-CD2 3.64Å; F855-L956 HydrophobicContact CD2-CD2 3.73Å; F855-L956 HydrophobicContact CE1-CB 4.21Å; F855-L956 HydrophobicContact CE1-CD2 3.7Å; F855-L956 VanDerWaalsContact CE1-O 3.27Å; F855-L956 WeakPolarHBondContact CE1-O 3.44Å; F855-L956 HydrophobicContact CE2-CD2 3.81Å; F855-L956 HydrophobicContact CG-CD2 3.65Å; F855-L956 HydrophobicContact CZ-CB 4.38Å; F855-L956 HydrophobicContact CZ-CD2 3.78Å; F855-P959 HydrophobicContact CD1-CB 4.22Å; F855-P959 HydrophobicContact CD1-CG 3.89Å; F855-P959 HydrophobicContact CE1-CB 3.88Å; F855-P959 HydrophobicContact CE1-CG 3.89Å; F855-I960 HydrophobicContact CE1-CG1 4.45Å; F855-I960 HydrophobicContact CZ-CD1 4.29Å; F855-I960 HydrophobicContact CZ-CG1 4.04Å
856D89.2Confident84.3Confident1 Ų114.5 Ų14.51%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-118.3144.6175.4-82.3-33.8000110.3P799 A800 Y801 D849P799-D856 WeakPolarHBondContact CA-OD2 3.42Å; P799-D856 WeakPolarHBondContact CB-OD2 3.44Å; A800-D856 PolarHBondContact N-OD2 3.45Å; Y801-D856 WeakPolarHBondContact CB-OD1 3.37Å; D849-D856 HydrophobicContact CB-CB 4.32Å; D849-D856 PolarHBondContact N-O 2.96Å; D849-D856 PolarHBondContact O-N 2.78Å
857V91Very high83.7Confident0 Ų015 Ų150%010%0.099CC..EExtended strand (participates in β ladder)trans-130.4120174.3-178.10000108.6L846 V847 F855 S872 A873 P959 I960 A963L846-V857 HydrophobicContact CD1-CG1 3.78Å; L846-V857 HydrophobicContact CD2-CG1 3.9Å; L846-V857 HydrophobicContact CG-CG1 3.84Å; V847-V857 WeakPolarHBondContact O-CA 3.48Å; F855-V857 HydrophobicContact CE1-CG2 3.65Å; F855-V857 HydrophobicContact CE2-CG2 3.77Å; F855-V857 HydrophobicContact CZ-CG2 3.21Å; V857-S872 VanDerWaalsContact O-CA 3.31Å; V857-S872 WeakPolarHBondContact O-CA 3.14Å; V857-S872 PolarHBondContact O-OG 2.96Å; V857-A873 PolarHBondContact N-O 3.24Å; V857-A873 PolarHBondContact O-N 3.32Å; V857-P959 HydrophobicContact CG2-CB 4.21Å; V857-I960 HydrophobicContact CG1-CG1 4.44Å; V857-I960 HydrophobicContact CG2-CG1 3.79Å; V857-A963 HydrophobicContact CB-CB 4.4Å; V857-A963 HydrophobicContact CG1-CB 4.04Å
858T90.2Very high83Confident1 Ų118 Ų181%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-122.9129.6-179.5-53.30000110.3P828 L846 V847 L860 V869 A871 S872P828-T858 WeakPolarHBondContact CB-OG1 3.42Å; P828-T858 WeakPolarHBondContact CG-OG1 3.11Å; L846-T858 WeakPolarHBondContact CA-O 3.41Å; V847-T858 PolarHBondContact N-O 3.34Å; V847-T858 PolarHBondContact O-N 3.28Å; T858-L860 HydrophobicContact CG2-CD2 4.5Å; T858-V869 HydrophobicContact CG2-CG1 3.65Å; T858-A871 CarbonylContact C-O 3.53Å; T858-A871 WeakPolarHBondContact CA-O 3.13Å; T858-S872 PolarHBondContact OG1-OG 2.85Å
859V90.4Very high82.5Confident0 Ų018.1 Ų18.10%011%0.113CC..EExtended strand (participates in β ladder)trans-101127.3172.3-177.90000108L846 H870 A871 A963 L964 A967 L969 I974L846-V859 HydrophobicContact CD1-CG2 4.03Å; V859-H870 HydrophobicContact CG1-CB 4.31Å; V859-H870 PolarHBondContact O-N 3.36Å; V859-A871 PolarHBondContact N-O 2.92Å; V859-A871 PolarHBondContact O-N 2.86Å; V859-A963 HydrophobicContact CG2-CB 4.14Å; V859-L964 HydrophobicContact CG2-CD2 4.32Å; V859-A967 HydrophobicContact CB-CB 4.05Å; V859-A967 HydrophobicContact CG1-CB 3.89Å; V859-A967 HydrophobicContact CG2-CB 4.34Å; V859-L969 HydrophobicContact CG1-CD1 3.88Å; V859-I974 HydrophobicContact CG1-CD1 4.01Å
860L88.2Confident82.1Confident0 Ų020.3 Ų20.30%012%0.124CC..EExtended strand (participates in β ladder)trans-142.2158.6-178.360.488.8000111.7A832 R844 S845 V847 T858 Y862 I867 E868A832-L860 HydrophobicContact CB-CD1 4.43Å; A832-L860 HydrophobicContact CB-CD2 3.44Å; A832-L860 VanDerWaalsContact CB-CD2 3.44Å; R844-L860 CarbonylContact C-O 3.56Å; R844-L860 WeakPolarHBondContact CA-O 3.31Å; S845-L860 PolarHBondContact N-O 2.82Å; S845-L860 PolarHBondContact O-N 3.19Å; V847-L860 HydrophobicContact CG2-CD2 3.68Å; T858-L860 HydrophobicContact CG2-CD2 4.5Å; L860-Y862 HydrophobicContact CD1-CD2 3.86Å; L860-Y862 HydrophobicContact CD1-CE1 4.1Å; L860-Y862 HydrophobicContact CD1-CE2 3.34Å; L860-Y862 HydrophobicContact CD1-CG 4.43Å; L860-Y862 VanDerWaalsContact CD1-CZ 3.45Å; L860-I867 HydrophobicContact CD1-CG2 4.3Å; L860-E868 CarbonylContact C-O 3.54Å; L860-E868 WeakPolarHBondContact CA-O 3.39Å; L860-E868 VanDerWaalsContact CB-O 3.29Å; L860-E868 WeakPolarHBondContact CB-O 3.39Å
861E84.8Confident81.8Confident34 Ų3420.3 Ų20.316%0.15912%0.124CC..EExtended strand (participates in β ladder)trans-122.2120.9174.6-173.1162.2171.500108.7T843 R844 E868 H870T843-E861 WeakPolarHBondContact O-CA 3.12Å; R844-E861 HydrophobicContact CG-CB 4.13Å; R844-E861 HydrophobicContact CG-CG 3.93Å; R844-E861 IonicContact CZ-OE1 3.46Å; R844-E861 IonicContact CZ-OE2 2.66Å; R844-E861 IonicContact NE-OE1 3.19Å; R844-E861 IonicContact NE-OE2 3.77Å; R844-E861 PolarHBondContact NE-OE2 3.15Å; R844-E861 IonicContact NH2-OE1 3.65Å; R844-E861 PolarHBondContact NH2-OE1 3.25Å; R844-E861 IonicContact NH2-OE2 3.28Å; R844-E861 PolarHBondContact NH2-OE2 3.01Å; E861-E868 PolarHBondContact N-O 3.03Å; E861-E868 PolarHBondContact O-N 3.46Å; E861-H870 IonicContact OE2-NE2 2.64Å
862Y77.8Confident81.6Confident4 Ų420.3 Ų20.32%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-73.9128.5165.2-61.1-81.9000107.5A832 Y835 G836 N842 T843 S845 L860 I867A832-Y862 WeakPolarHBondContact CA-OH 3.48Å; A832-Y862 VanDerWaalsContact CB-OH 3.31Å; A832-Y862 WeakPolarHBondContact CB-OH 3.27Å; A832-Y862 WeakPolarHBondContact O-CE1 3.44Å; A832-Y862 PolarHBondContact O-OH 3.03Å; Y835-Y862 HydrophobicContact CD1-CD2 4.45Å; Y835-Y862 HydrophobicContact CD1-CE1 4.42Å; Y835-Y862 AromaticContact CD1-CE2 3.51Å; Y835-Y862 HydrophobicContact CD1-CE2 3.51Å; Y835-Y862 AromaticContact CD1-CZ 3.52Å; Y835-Y862 VanDerWaalsContact CD1-OH 3.31Å; Y835-Y862 WeakPolarHBondContact CD1-OH 3.24Å; Y835-Y862 HydrophobicContact CE1-CD2 4.28Å; Y835-Y862 AromaticContact CE1-CE2 3.62Å; Y835-Y862 HydrophobicContact CE1-CE2 3.62Å; G836-Y862 VanDerWaalsContact CA-CE1 3.46Å; N842-Y862 WeakPolarHBondContact CA-O 3.46Å; T843-Y862 PolarHBondContact N-O 2.79Å; T843-Y862 PolarHBondContact O-N 2.73Å; S845-Y862 VanDerWaalsContact OG-CE2 3.28Å; S845-Y862 WeakPolarHBondContact OG-CE2 2.99Å; L860-Y862 HydrophobicContact CD1-CD2 3.86Å; L860-Y862 HydrophobicContact CD1-CE1 4.1Å; L860-Y862 HydrophobicContact CD1-CE2 3.34Å; L860-Y862 HydrophobicContact CD1-CG 4.43Å; L860-Y862 VanDerWaalsContact CD1-CZ 3.45Å; Y862-I867 HydrophobicContact CD1-CD1 3.99Å; Y862-I867 HydrophobicContact CD1-CG1 3.79Å; Y862-I867 HydrophobicContact CE1-CD1 3.76Å; Y862-I867 HydrophobicContact CE1-CG1 4.04Å; Y862-I867 HydrophobicContact CE1-CG2 4.4Å
863A70.2Confident81.7Confident33 Ų3319.9 Ų19.927%0.27312%0.116SC..EExtended strand (participates in β ladder)trans-145.466.9176.800000108.3V866A863-V866 CarbonylContact C-O 3.54Å; A863-V866 VanDerWaalsContact C-O 3.25Å; A863-V866 WeakPolarHBondContact CA-O 3.21Å; A863-V866 PolarHBondContact N-O 2.86Å; A863-V866 WeakPolarHBondContact O-CA 3.38Å; A863-V866 WeakPolarHBondContact O-CB 3.5Å; A863-V866 PolarHBondContact O-N 3.46Å
864T61.8Low81.8Confident77 Ų7720.8 Ų20.847%0.47213%0.126SC..THydrogen-bonded Turntrans-43126.9-167.9-49.70000112.7
865P63.3Low81.8Confident62 Ų6222.1 Ų22.140%0.40313%0.132SC..THydrogen-bonded Turncis-86.16.68.935.7-37.6000115.3V1031 I1032P865-V1031 CarbonylContact O-C 3.59Å; P865-V1031 WeakPolarHBondContact O-CA 3.35Å; P865-I1032 PolarHBondContact O-N 3.24Å
866V70.9Confident81.2Confident49 Ų4923.3 Ų23.330%0.29714%0.139SC..EExtended strand (participates in β ladder)trans-91.2140.8-175.6-170.50000111.6A863 I1032A863-V866 CarbonylContact C-O 3.54Å; A863-V866 VanDerWaalsContact C-O 3.25Å; A863-V866 WeakPolarHBondContact CA-O 3.21Å; A863-V866 PolarHBondContact N-O 2.86Å; A863-V866 WeakPolarHBondContact O-CA 3.38Å; A863-V866 WeakPolarHBondContact O-CB 3.5Å; A863-V866 PolarHBondContact O-N 3.46Å; V866-I1032 CarbonylContact C-O 3.58Å; V866-I1032 VanDerWaalsContact CA-O 3.28Å; V866-I1032 WeakPolarHBondContact CA-O 3.41Å; V866-I1032 WeakPolarHBondContact CG1-O 3.49Å; V866-I1032 HydrophobicContact CG2-CB 4.31Å
867I78.2Confident80.8Confident9 Ų929.7 Ų29.75%0.04617%0.167CC..EExtended strand (participates in β ladder)trans-113.2114.9161.3-59.7176.9000107.2M833 L860 Y862 V1031 I1032 L1033 T1034M833-I867 HydrophobicContact CG-CD1 3.78Å; L860-I867 HydrophobicContact CD1-CG2 4.3Å; Y862-I867 HydrophobicContact CD1-CD1 3.99Å; Y862-I867 HydrophobicContact CD1-CG1 3.79Å; Y862-I867 HydrophobicContact CE1-CD1 3.76Å; Y862-I867 HydrophobicContact CE1-CG1 4.04Å; Y862-I867 HydrophobicContact CE1-CG2 4.4Å; I867-V1031 HydrophobicContact CD1-CG1 3.61Å; I867-V1031 HydrophobicContact CG1-CG1 3.76Å; I867-I1032 PolarHBondContact N-O 2.97Å; I867-L1033 HydrophobicContact CB-CD1 3.95Å; I867-L1033 HydrophobicContact CD1-CD1 4.24Å; I867-L1033 HydrophobicContact CG2-CD1 4.08Å; I867-T1034 PolarHBondContact O-N 3.21Å; I867-T1034 VanDerWaalsContact O-N 3.09Å; I867-T1034 PolarHBondContact O-OG1 2.81Å
868E77.6Confident80.7Confident64 Ų6429.7 Ų29.730%0.29917%0.167SC..EExtended strand (participates in β ladder)trans-101.4120.7179.1-174.9170.4-159.300111.2L860 E861 H870 T1034 T1063L860-E868 CarbonylContact C-O 3.54Å; L860-E868 WeakPolarHBondContact CA-O 3.39Å; L860-E868 VanDerWaalsContact CB-O 3.29Å; L860-E868 WeakPolarHBondContact CB-O 3.39Å; E861-E868 PolarHBondContact N-O 3.03Å; E861-E868 PolarHBondContact O-N 3.46Å; E868-H870 VanDerWaalsContact CD-NE2 3.25Å; E868-H870 IonicContact OE1-CE1 2.74Å; E868-H870 IonicContact OE1-NE2 2.87Å; E868-H870 IonicContact OE2-NE2 4Å; E868-H870 PolarHBondContact OE2-NE2 3.34Å; E868-T1034 WeakPolarHBondContact CA-OG1 3.24Å; E868-T1063 HydrophobicContact CG-CG2 4.43Å
869V82Confident80.7Confident2 Ų229.7 Ų29.71%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-84.2118.6170.2179.60000109T858 I1036T858-V869 HydrophobicContact CG2-CG1 3.65Å; V869-I1036 HydrophobicContact CB-CG2 4.16Å; V869-I1036 HydrophobicContact CG1-CD1 3.89Å; V869-I1036 HydrophobicContact CG1-CG1 3.86Å; V869-I1036 HydrophobicContact CG1-CG2 4Å; V869-I1036 WeakPolarHBondContact O-CG2 3.37Å
870H83.3Confident80.7Confident53 Ų5329.8 Ų29.825%0.24517%0.168CC..EExtended strand (participates in β ladder)trans-89.3-36.1179.9-70.6-63.7000113.7V859 E861 E868 A967V859-H870 HydrophobicContact CG1-CB 4.31Å; V859-H870 PolarHBondContact O-N 3.36Å; E861-H870 IonicContact OE2-NE2 2.64Å; E868-H870 VanDerWaalsContact CD-NE2 3.25Å; E868-H870 IonicContact OE1-CE1 2.74Å; E868-H870 IonicContact OE1-NE2 2.87Å; E868-H870 IonicContact OE2-NE2 4Å; E868-H870 PolarHBondContact OE2-NE2 3.34Å; H870-A967 HydrophobicContact CB-CB 3.81Å
871A85.6Confident80.8Confident0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-162.9151.6176.900000111.2T858 V859 A963 D966 A967 N1061T858-A871 CarbonylContact C-O 3.53Å; T858-A871 WeakPolarHBondContact CA-O 3.13Å; V859-A871 PolarHBondContact N-O 2.92Å; V859-A871 PolarHBondContact O-N 2.86Å; A871-A963 VanDerWaalsContact CB-O 3.31Å; A871-A963 WeakPolarHBondContact CB-O 3.44Å; A871-D966 HydrophobicContact CB-CB 3.88Å; A871-A967 HydrophobicContact CB-CB 3.92Å; A871-N1061 WeakPolarHBondContact CA-OD1 3.43Å; A871-N1061 HydrophobicContact CB-CB 4.35Å
872S85.1Confident81.2Confident14 Ų1429.8 Ų29.810%0.09817%0.169CC..EExtended strand (participates in β ladder)trans-137.7140.7166.9-158.70000110.9A800 V857 T858 I1036 N1061A800-S872 WeakPolarHBondContact CB-OG 3.39Å; V857-S872 VanDerWaalsContact O-CA 3.31Å; V857-S872 WeakPolarHBondContact O-CA 3.14Å; V857-S872 PolarHBondContact O-OG 2.96Å; T858-S872 PolarHBondContact OG1-OG 2.85Å; S872-I1036 VanDerWaalsContact N-CD1 3.32Å; S872-N1061 PolarHBondContact N-OD1 3.47Å; S872-N1061 PolarHBondContact O-OD1 3.28Å
873A86.8Confident82Confident8 Ų829.6 Ų29.67%0.06617%0.168CC..EExtended strand (participates in β ladder)trans-146151.1175.100000109.8V857 P959 Q962 A963V857-A873 PolarHBondContact N-O 3.24Å; V857-A873 PolarHBondContact O-N 3.32Å; A873-P959 HydrophobicContact CB-CB 4.19Å; A873-Q962 HydrophobicContact CB-CB 4.16Å; A873-Q962 HydrophobicContact CB-CG 4.17Å; A873-A963 HydrophobicContact CB-CB 4.17Å
874G86Confident83.1Confident19 Ų1928 Ų2820%0.19616%0.155CC..EExtended strand (participates in β ladder)trans-158.4-178.4-177.400000115.2F855F855-G874 CarbonylContact O-C 3.52Å; F855-G874 WeakPolarHBondContact O-CA 3.42Å
875D85.2Confident84.6Confident34 Ų3427.6 Ų27.618%0.18215%0.147CC..EExtended strand (participates in β ladder)trans-137.7104.3174.3-173.6-22.4000108.5F855 F877 L878 R955 P959F855-D875 PolarHBondContact N-O 2.66Å; F855-D875 PolarHBondContact O-N 2.82Å; D875-F877 PolarHBondContact O-N 3.16Å; D875-F877 PolarHBondContact OD1-N 3.18Å; D875-L878 HydrophobicContact CB-CB 3.88Å; D875-L878 HydrophobicContact CB-CD2 4.32Å; D875-L878 PolarHBondContact O-N 3.16Å; D875-R955 IonicContact OD1-NH2 2.58Å; D875-R955 PolarHBondContact OD1-NH2 3.32Å; D875-R955 VanDerWaalsContact OD1-NH2 3.09Å; D875-R955 IonicContact OD2-CZ 3.8Å; D875-R955 VanDerWaalsContact OD2-CZ 3.31Å; D875-R955 IonicContact OD2-NE 3.41Å; D875-R955 PolarHBondContact OD2-NE 2.99Å; D875-R955 IonicContact OD2-NH2 2.84Å; D875-R955 PolarHBondContact OD2-NH2 3.01Å; D875-P959 HydrophobicContact CB-CG 4.46Å
876N77.9Confident86.1Confident26 Ų2627.2 Ų27.214%0.13914%0.141CC..THydrogen-bonded Turntrans-67.4-2.5-178.8-74.6-25.6000113.8Y801Y801-N876 PolarHBondContact O-ND2 2.81Å
877F81.3Confident87.3Confident135 Ų13524.9 Ų24.959%0.59213%0.127SC*.THydrogen-bonded Turntrans-130.236.2-177.8-56-81.9000111.7D875 R955D875-F877 PolarHBondContact O-N 3.16Å; D875-F877 PolarHBondContact OD1-N 3.18Å; F877-R955 PolarHBondContact O-NH1 3.16Å; F877-R955 PolarHBondContact O-NH2 3.23Å
878L88.2Confident88Confident0 Ų024.5 Ų24.50%013%0.125CC..  trans-141.8115.4177.3179.762.3000109.9T854 F855 D875 L952 R955 L956T854-L878 CarbonylContact C-O 3.59Å; T854-L878 VanDerWaalsContact CA-O 3.28Å; T854-L878 WeakPolarHBondContact CA-O 3.34Å; T854-L878 PolarHBondContact N-O 3.18Å; F855-L878 HydrophobicContact CB-CB 4.26Å; F855-L878 HydrophobicContact CB-CD2 4.19Å; F855-L878 HydrophobicContact CB-CG 4.24Å; F855-L878 WeakPolarHBondContact CB-O 3.45Å; F855-L878 HydrophobicContact CD1-CD2 4.09Å; F855-L878 HydrophobicContact CG-CD2 4.39Å; F855-L878 PolarHBondContact N-O 3.21Å; D875-L878 HydrophobicContact CB-CB 3.88Å; D875-L878 HydrophobicContact CB-CD2 4.32Å; D875-L878 PolarHBondContact O-N 3.16Å; L878-L952 HydrophobicContact CD1-CB 4.28Å; L878-L952 HydrophobicContact CD1-CD2 3.91Å; L878-R955 HydrophobicContact CD2-CB 3.77Å; L878-L956 HydrophobicContact CD2-CD2 3.69Å; L878-L956 HydrophobicContact CD2-CG 4.18Å; L878-L956 HydrophobicContact CG-CD2 4.28Å
879G89.7Confident88.8Confident0 Ų024.9 Ų24.90%013%0.129CC..SBendtrans-163.2-170.7173.800000112.6G851 G852 E881 D882 F883G851-G879 CarbonylContact O-C 3.6Å; G851-G879 VanDerWaalsContact O-CA 3.27Å; G851-G879 WeakPolarHBondContact O-CA 2.89Å; G852-G879 CarbonylContact O-C 3.6Å; G879-E881 PolarHBondContact O-N 3.01Å; G879-E881 VanDerWaalsContact O-N 3.13Å; G879-D882 PolarHBondContact N-OD2 3.26Å; G879-D882 WeakPolarHBondContact O-CB 3.11Å; G879-D882 PolarHBondContact O-N 3.33Å; G879-F883 WeakPolarHBondContact O-CD2 3.42Å
880G91.2Very high89.4Confident3 Ų326.5 Ų26.53%0.03114%0.137CC..Hα-helixtrans-53.2-30.9-177.600000115.8G851 G852 D882 T884 K918G851-G880 PolarHBondContact O-N 2.98Å; G852-G880 PolarHBondContact O-N 3.01Å; G880-D882 VanDerWaalsContact C-N 3.33Å; G880-T884 PolarHBondContact O-N 3.25Å; G880-T884 PolarHBondContact O-OG1 3.47Å; G880-T884 VanDerWaalsContact O-OG1 3.14Å; G880-K918 PolarHBondContact O-NZ 3.47Å
881E90.2Very high90Very high4 Ų424 Ų242%0.01913%0.125CC..Hα-helixtrans-70-29.4178.8-54.3-84.5142.700111.8T692 R738 L748 G852 G879 T884 H885 Y911T692-E881 PolarHBondContact OG1-OE1 3.31Å; R738-E881 IonicContact NH2-OE2 3.78Å; L748-E881 HydrophobicContact CD1-CG 3.99Å; L748-E881 HydrophobicContact CD2-CG 3.73Å; G852-E881 VanDerWaalsContact O-CG 3.32Å; G852-E881 WeakPolarHBondContact O-CG 3.31Å; G852-E881 PolarHBondContact O-N 3.47Å; G879-E881 PolarHBondContact O-N 3.01Å; G879-E881 VanDerWaalsContact O-N 3.13Å; E881-T884 WeakPolarHBondContact O-CB 3.46Å; E881-T884 PolarHBondContact O-N 3.25Å; E881-H885 PolarHBondContact O-CD2 3.37Å; E881-H885 PolarHBondContact O-N 2.95Å; E881-Y911 WeakPolarHBondContact CB-OH 3.21Å; E881-Y911 PolarHBondContact O-OH 3.14Å; E881-Y911 PolarHBondContact OE2-OH 3.06Å
882D92.9Very high90.3Very high29 Ų2924.3 Ų24.316%0.15513%0.126CC..Hα-helixtrans-71.2-35.8-178.2-56.8-85.4000111.2R751 G879 G880 T884 H885 M886 L952R751-D882 IonicContact CZ-OD2 3.4Å; R751-D882 IonicContact NH1-OD1 2.69Å; R751-D882 PolarHBondContact NH1-OD1 3.45Å; R751-D882 IonicContact NH1-OD2 3.83Å; R751-D882 PolarHBondContact NH1-OD2 2.82Å; R751-D882 IonicContact NH2-OD1 3.08Å; R751-D882 IonicContact NH2-OD2 2.61Å; R751-D882 PolarHBondContact NH2-OD2 3.42Å; G879-D882 PolarHBondContact N-OD2 3.26Å; G879-D882 WeakPolarHBondContact O-CB 3.11Å; G879-D882 PolarHBondContact O-N 3.33Å; G880-D882 VanDerWaalsContact C-N 3.33Å; D882-T884 VanDerWaalsContact C-N 3.32Å; D882-H885 PolarHBondContact O-N 2.7Å; D882-M886 PolarHBondContact O-N 2.77Å; D882-M886 VanDerWaalsContact O-N 3.17Å; D882-L952 HydrophobicContact CB-CD1 4.18Å; D882-L952 HydrophobicContact CB-CD2 4.33Å
883F94.3Very high90.7Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-61.5-41.2169.9-68.1-92.9000111.4L850 G879 L887 K918 W949 L952 L953 L956 M986 V989L850-F883 HydrophobicContact CD2-CE2 4.35Å; G879-F883 WeakPolarHBondContact O-CD2 3.42Å; F883-L887 WeakPolarHBondContact O-CB 3.39Å; F883-L887 PolarHBondContact O-N 3.14Å; F883-L887 VanDerWaalsContact O-N 3.12Å; F883-K918 HydrophobicContact CB-CD 4.24Å; F883-W949 HydrophobicContact CB-CZ2 4.27Å; F883-W949 HydrophobicContact CD1-CB 3.98Å; F883-W949 AromaticContact CD1-CD1 3.79Å; F883-W949 AromaticContact CD1-CD2 3.7Å; F883-W949 HydrophobicContact CD1-CD2 3.7Å; F883-W949 AromaticContact CD1-CE2 3.97Å; F883-W949 HydrophobicContact CD1-CE3 4.22Å; F883-W949 AromaticContact CD1-CG 3.58Å; F883-W949 HydrophobicContact CD1-CG 3.58Å; F883-W949 HydrophobicContact CE1-CB 4.07Å; F883-W949 HydrophobicContact CE1-CD2 4.48Å; F883-W949 HydrophobicContact CE1-CG 4.18Å; F883-W949 PolarHBondContact O-NE1 2.67Å; F883-L952 HydrophobicContact CB-CD1 4.31Å; F883-L952 HydrophobicContact CD1-CB 4.49Å; F883-L952 HydrophobicContact CD1-CD1 3.81Å; F883-L952 HydrophobicContact CD2-CD1 4.05Å; F883-L952 HydrophobicContact CE1-CB 3.92Å; F883-L952 HydrophobicContact CE1-CD1 4.07Å; F883-L952 HydrophobicContact CE2-CB 4.45Å; F883-L952 HydrophobicContact CE2-CD1 4.28Å; F883-L952 HydrophobicContact CG-CD1 3.79Å; F883-L952 HydrophobicContact CZ-CB 3.89Å; F883-L952 HydrophobicContact CZ-CD1 4.29Å; F883-L953 HydrophobicContact CE1-CD2 3.99Å; F883-L953 HydrophobicContact CZ-CD2 4.41Å; F883-L956 HydrophobicContact CZ-CD1 4.25Å; F883-M986 HydrophobicContact CB-CE 4.15Å; F883-M986 HydrophobicContact CB-SD 4.47Å; F883-M986 HydrophobicContact CD1-CE 3.72Å; F883-M986 HydrophobicContact CD1-SD 4.38Å; F883-M986 HydrophobicContact CD2-SD 4.43Å; F883-M986 HydrophobicContact CE1-CE 4.33Å; F883-M986 HydrophobicContact CG-CE 3.97Å; F883-M986 HydrophobicContact CG-SD 4.18Å; F883-V989 HydrophobicContact CZ-CG2 4.36Å
884T94Very high91Very high0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-67.5-43.1177.9-50.20000111.8G880 E881 D882 M886 L887 V888 Y911 V914 E915 K918G880-T884 PolarHBondContact O-N 3.25Å; G880-T884 PolarHBondContact O-OG1 3.47Å; G880-T884 VanDerWaalsContact O-OG1 3.14Å; E881-T884 WeakPolarHBondContact O-CB 3.46Å; E881-T884 PolarHBondContact O-N 3.25Å; D882-T884 VanDerWaalsContact C-N 3.32Å; T884-M886 PolarHBondContact O-N 3.21Å; T884-L887 PolarHBondContact O-N 3.31Å; T884-V888 HydrophobicContact CG2-CG2 4.41Å; T884-V888 WeakPolarHBondContact O-CG2 3.31Å; T884-V888 PolarHBondContact O-N 3.04Å; T884-Y911 WeakPolarHBondContact CB-OH 3.47Å; T884-Y911 HydrophobicContact CG2-CD1 4.43Å; T884-Y911 HydrophobicContact CG2-CD2 4.2Å; T884-Y911 HydrophobicContact CG2-CE1 3.93Å; T884-Y911 HydrophobicContact CG2-CE2 3.65Å; T884-Y911 VanDerWaalsContact CG2-CZ 3.49Å; T884-V914 HydrophobicContact CG2-CB 4.31Å; T884-V914 HydrophobicContact CG2-CG1 3.95Å; T884-E915 WeakPolarHBondContact CB-OE2 3.33Å; T884-E915 HydrophobicContact CG2-CB 4.11Å; T884-E915 VanDerWaalsContact CG2-OE2 3.31Å; T884-E915 WeakPolarHBondContact CG2-OE2 3.5Å; T884-E915 PolarHBondContact OG1-OE2 3.36Å; T884-K918 PolarHBondContact OG1-NZ 3.05Å
885H93.1Very high91.1Very high68 Ų6834 Ų3432%0.31516%0.16SC..Hα-helixtrans-59.1-45.8175.9-78.4-57.7000112.3E881 D882 L887 V888 D889 Y911E881-H885 PolarHBondContact O-CD2 3.37Å; E881-H885 PolarHBondContact O-N 2.95Å; D882-H885 PolarHBondContact O-N 2.7Å; H885-L887 VanDerWaalsContact C-N 3.31Å; H885-L887 PolarHBondContact O-N 3.37Å; H885-V888 PolarHBondContact O-N 3.37Å; H885-D889 PolarHBondContact O-N 3.37Å; H885-Y911 AromaticContact CE1-CE2 3.42Å; H885-Y911 VanDerWaalsContact CE1-CE2 3.42Å; H885-Y911 WeakPolarHBondContact CE1-CE2 3.37Å; H885-Y911 AromaticContact ND1-CE2 3.52Å; H885-Y911 AromaticContact NE2-CE2 3.95Å
886M94.9Very high91.3Very high54 Ų5439.9 Ų39.927%0.26619%0.191SC..Hα-helixtrans-62-38.1175.7-70.3-166.871.300112.6D882 T884 E890 L948 P951 L952D882-M886 PolarHBondContact O-N 2.77Å; D882-M886 VanDerWaalsContact O-N 3.17Å; T884-M886 PolarHBondContact O-N 3.21Å; M886-E890 PolarHBondContact O-N 3.37Å; M886-E890 VanDerWaalsContact O-N 3.09Å; M886-L948 HydrophobicContact CB-CD1 4.42Å; M886-L948 HydrophobicContact CE-CD1 4.25Å; M886-L948 WeakPolarHBondContact CE-O 3.41Å; M886-P951 HydrophobicContact CE-CG 4.25Å; M886-L952 HydrophobicContact CG-CD1 4.29Å; M886-L952 HydrophobicContact SD-CD1 3.63Å; M886-L952 HydrophobicContact SD-CD2 4.17Å; M886-L952 HydrophobicContact SD-CG 3.61Å
887L94.9Very high91.9Very high0 Ų039.1 Ų39.10%019%0.187CC..Hα-helixtrans-72.7-35.5178.2-17458.1000112.5F883 T884 H885 E890 V891 V914 L925 I927 F940 L945 L948 W949F883-L887 WeakPolarHBondContact O-CB 3.39Å; F883-L887 PolarHBondContact O-N 3.14Å; F883-L887 VanDerWaalsContact O-N 3.12Å; T884-L887 PolarHBondContact O-N 3.31Å; H885-L887 VanDerWaalsContact C-N 3.31Å; H885-L887 PolarHBondContact O-N 3.37Å; L887-E890 PolarHBondContact O-N 2.79Å; L887-V891 WeakPolarHBondContact O-CB 3.47Å; L887-V891 VanDerWaalsContact O-CG2 3.24Å; L887-V891 WeakPolarHBondContact O-CG2 3.25Å; L887-V891 PolarHBondContact O-N 3.24Å; L887-V914 HydrophobicContact CB-CG1 3.79Å; L887-V914 HydrophobicContact CD2-CG1 3.61Å; L887-V914 HydrophobicContact CG-CG1 3.56Å; L887-L925 HydrophobicContact CD2-CD2 3.65Å; L887-I927 HydrophobicContact CD1-CD1 4.23Å; L887-I927 HydrophobicContact CD2-CD1 3.97Å; L887-I927 HydrophobicContact CG-CD1 4.04Å; L887-F940 HydrophobicContact CD1-CD1 3.98Å; L887-F940 HydrophobicContact CD1-CD2 4.14Å; L887-F940 HydrophobicContact CD1-CE1 3.75Å; L887-F940 HydrophobicContact CD1-CE2 3.96Å; L887-F940 HydrophobicContact CD1-CG 4.16Å; L887-F940 HydrophobicContact CD1-CZ 3.76Å; L887-L945 HydrophobicContact CD1-CD2 3.9Å; L887-L948 HydrophobicContact CB-CD2 4.27Å; L887-L948 HydrophobicContact CD1-CD2 3.84Å; L887-W949 HydrophobicContact CB-CZ2 4.31Å; L887-W949 HydrophobicContact CD2-CH2 4.49Å; L887-W949 HydrophobicContact CD2-CZ2 3.9Å
888V94.7Very high92.3Very high2 Ų235.4 Ų35.41%0.01218%0.182CC..Hα-helixtrans-60.3-49.8170.8166.50000110.6T884 H885 E890 V891 L892 L907 L910 Y911 V914T884-V888 HydrophobicContact CG2-CG2 4.41Å; T884-V888 WeakPolarHBondContact O-CG2 3.31Å; T884-V888 PolarHBondContact O-N 3.04Å; H885-V888 PolarHBondContact O-N 3.37Å; V888-E890 VanDerWaalsContact C-N 3.3Å; V888-E890 PolarHBondContact O-N 3.12Å; V888-V891 PolarHBondContact O-N 3.45Å; V888-L892 HydrophobicContact CG1-CD1 4.22Å; V888-L892 VanDerWaalsContact O-CG 3.32Å; V888-L892 WeakPolarHBondContact O-CG 2.99Å; V888-L892 PolarHBondContact O-N 2.95Å; V888-L907 HydrophobicContact CG1-CD1 4.39Å; V888-L910 HydrophobicContact CG1-CD2 3.96Å; V888-L910 HydrophobicContact CG1-CG 4.32Å; V888-Y911 HydrophobicContact CG2-CD2 3.91Å; V888-Y911 HydrophobicContact CG2-CE2 4.46Å; V888-V914 HydrophobicContact CG2-CB 3.81Å; V888-V914 HydrophobicContact CG2-CG1 3.94Å; V888-V914 HydrophobicContact CG2-CG2 3.8Å
889D94Very high92.2Very high72 Ų7240.8 Ų40.839%0.38520%0.202SC..Hα-helixtrans-64.7-33.6-179.2-71.6-31.8000111.9H885 K893 R899H885-D889 PolarHBondContact O-N 3.37Å; D889-K893 WeakPolarHBondContact O-CB 3.41Å; D889-K893 PolarHBondContact O-N 3.32Å; D889-K893 VanDerWaalsContact O-N 3.1Å; D889-R899 IonicContact OD1-CZ 3.7Å; D889-R899 IonicContact OD1-NH1 2.7Å; D889-R899 PolarHBondContact OD1-NH1 3.41Å; D889-R899 IonicContact OD2-NH1 3.24Å; D889-R899 PolarHBondContact OD2-NH1 2.97Å
890E95Very high92.1Very high36 Ų3647.2 Ų47.217%0.16824%0.242CC..Hα-helixtrans-73.8-35.6173.1-173.362.3-154.500113.1M886 L887 V888 K893 R894 F940 L948M886-E890 PolarHBondContact O-N 3.37Å; M886-E890 VanDerWaalsContact O-N 3.09Å; L887-E890 PolarHBondContact O-N 2.79Å; V888-E890 VanDerWaalsContact C-N 3.3Å; V888-E890 PolarHBondContact O-N 3.12Å; E890-K893 PolarHBondContact O-N 3.44Å; E890-K893 IonicContact OE1-NZ 3.4Å; E890-K893 PolarHBondContact OE1-NZ 3.5Å; E890-K893 IonicContact OE2-NZ 2.65Å; E890-K893 PolarHBondContact OE2-NZ 2.54Å; E890-R894 WeakPolarHBondContact O-CG 3.49Å; E890-R894 PolarHBondContact O-N 3.32Å; E890-R894 IonicContact OE1-NE 2.74Å; E890-F940 HydrophobicContact CB-CE1 4.35Å; E890-F940 HydrophobicContact CG-CE1 3.67Å; E890-F940 HydrophobicContact CG-CZ 4.22Å; E890-L948 HydrophobicContact CB-CD1 3.94Å; E890-L948 HydrophobicContact CB-CD2 4.08Å; E890-L948 HydrophobicContact CG-CD1 4.29Å; E890-L948 HydrophobicContact CG-CD2 4.41Å
891V94.5Very high92Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-61.3-45.1171.7167.70000110.7L887 V888 K893 R894 A895 L910 V914 I927 F940L887-V891 WeakPolarHBondContact O-CB 3.47Å; L887-V891 VanDerWaalsContact O-CG2 3.24Å; L887-V891 WeakPolarHBondContact O-CG2 3.25Å; L887-V891 PolarHBondContact O-N 3.24Å; V888-V891 PolarHBondContact O-N 3.45Å; V891-K893 VanDerWaalsContact C-N 3.32Å; V891-K893 PolarHBondContact O-N 2.7Å; V891-R894 PolarHBondContact O-N 3.04Å; V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.47Å; V891-A895 PolarHBondContact O-N 3.14Å; V891-L910 HydrophobicContact CG1-CD1 3.81Å; V891-V914 HydrophobicContact CG2-CG2 4.27Å; V891-I927 HydrophobicContact CG2-CD1 3.72Å; V891-I927 HydrophobicContact CG2-CG2 4.3Å; V891-F940 HydrophobicContact CG2-CE2 3.63Å; V891-F940 HydrophobicContact CG2-CZ 3.66Å
892L93.5Very high91.8Very high6 Ų651.3 Ų51.33%0.03127%0.266CS..Hα-helixtrans-59.2-43.6175.8-70.3179.3000112V888 A895 D896 V897 R899 L902 L910 W929V888-L892 HydrophobicContact CG1-CD1 4.22Å; V888-L892 VanDerWaalsContact O-CG 3.32Å; V888-L892 WeakPolarHBondContact O-CG 2.99Å; V888-L892 PolarHBondContact O-N 2.95Å; L892-A895 PolarHBondContact O-N 2.72Å; L892-D896 PolarHBondContact O-N 3.17Å; L892-D896 VanDerWaalsContact O-N 3.14Å; L892-V897 WeakPolarHBondContact CB-O 3.46Å; L892-V897 HydrophobicContact CD2-CB 4.19Å; L892-V897 HydrophobicContact CD2-CG1 4.17Å; L892-V897 PolarHBondContact O-N 2.69Å; L892-R899 HydrophobicContact CD1-CB 3.83Å; L892-R899 HydrophobicContact CD1-CG 3.94Å; L892-L902 HydrophobicContact CD1-CD1 4.28Å; L892-L902 HydrophobicContact CD2-CD1 3.51Å; L892-L910 HydrophobicContact CD1-CD2 4.41Å; L892-L910 HydrophobicContact CD2-CD2 3.42Å; L892-L910 VanDerWaalsContact CD2-CD2 3.42Å; L892-L910 HydrophobicContact CG-CD2 3.83Å; L892-W929 HydrophobicContact CD2-CH2 3.95Å; L892-W929 HydrophobicContact CD2-CZ2 4.23Å
893K92.4Very high91.5Very high139 Ų13954 Ų5460%0.60428%0.28SS*.Hα-helixtrans-65-39.5175.9171.8168.4155.8-90.80113.2D889 E890 V891D889-K893 WeakPolarHBondContact O-CB 3.41Å; D889-K893 PolarHBondContact O-N 3.32Å; D889-K893 VanDerWaalsContact O-N 3.1Å; E890-K893 PolarHBondContact O-N 3.44Å; E890-K893 IonicContact OE1-NZ 3.4Å; E890-K893 PolarHBondContact OE1-NZ 3.5Å; E890-K893 IonicContact OE2-NZ 2.65Å; E890-K893 PolarHBondContact OE2-NZ 2.54Å; V891-K893 VanDerWaalsContact C-N 3.32Å; V891-K893 PolarHBondContact O-N 2.7Å
894R92.6Very high90.9Very high94 Ų9460.1 Ų60.136%0.35531%0.308SS..Hα-helixtrans-70-32.1174.3-73.2-175.8-174.5-147.2-12.3112.8E890 V891 D896 E939 F940 E944E890-R894 WeakPolarHBondContact O-CG 3.49Å; E890-R894 PolarHBondContact O-N 3.32Å; E890-R894 IonicContact OE1-NE 2.74Å; V891-R894 PolarHBondContact O-N 3.04Å; R894-D896 VanDerWaalsContact C-N 3.33Å; R894-E939 PolarHBondContact NH1-O 3.48Å; R894-F940 VanDerWaalsContact CZ-CE1 3.42Å; R894-F940 VanDerWaalsContact NE-CE1 3.27Å; R894-E944 IonicContact CZ-OE1 3.76Å; R894-E944 IonicContact CZ-OE2 2.76Å; R894-E944 IonicContact NH1-OE1 2.66Å; R894-E944 PolarHBondContact NH1-OE1 3.29Å; R894-E944 VanDerWaalsContact NH1-OE1 3.16Å; R894-E944 IonicContact NH1-OE2 2.83Å; R894-E944 PolarHBondContact NH1-OE2 3.2Å; R894-E944 VanDerWaalsContact NH1-OE2 3.15Å; R894-E944 VanDerWaalsContact NH2-CD 3.33Å; R894-E944 IonicContact NH2-OE1 3.81Å; R894-E944 PolarHBondContact NH2-OE1 3.15Å; R894-E944 IonicContact NH2-OE2 2.99Å
895A89.6Confident90.3Very high13 Ų1362.2 Ų62.211%0.10732%0.323CS..Hα-helixtrans-81.9-7.5178.300000114.4V891 L892 V897 W929 R936V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.47Å; V891-A895 PolarHBondContact O-N 3.14Å; L892-A895 PolarHBondContact O-N 2.72Å; A895-V897 VanDerWaalsContact C-N 3.28Å; A895-V897 HydrophobicContact CB-CB 4.49Å; A895-V897 HydrophobicContact CB-CG2 3.93Å; A895-V897 PolarHBondContact O-N 2.79Å; A895-W929 HydrophobicContact CB-CZ2 4.25Å; A895-R936 PolarHBondContact O-NH1 3.19Å
896D89.3Confident90Very high156 Ų15661 Ų6183%0.83432%0.317SS*.THydrogen-bonded Turntrans55.539.1-169.8-159.430.4000113.1L892 R894L892-D896 PolarHBondContact O-N 3.17Å; L892-D896 VanDerWaalsContact O-N 3.14Å; R894-D896 VanDerWaalsContact C-N 3.33Å
897V89.9Confident89.7Confident10 Ų1060.5 Ų60.56%0.06132%0.316CS..  trans-108.9112.4179179.60000109.5L892 A895 R899 L902 W929 Y931L892-V897 WeakPolarHBondContact CB-O 3.46Å; L892-V897 HydrophobicContact CD2-CB 4.19Å; L892-V897 HydrophobicContact CD2-CG1 4.17Å; L892-V897 PolarHBondContact O-N 2.69Å; A895-V897 VanDerWaalsContact C-N 3.28Å; A895-V897 HydrophobicContact CB-CB 4.49Å; A895-V897 HydrophobicContact CB-CG2 3.93Å; A895-V897 PolarHBondContact O-N 2.79Å; V897-R899 PolarHBondContact O-N 3.41Å; V897-L902 HydrophobicContact CG1-CD1 4.37Å; V897-L902 HydrophobicContact CG1-CD2 4.32Å; V897-L902 HydrophobicContact CG1-CG 4.21Å; V897-W929 HydrophobicContact CG1-CH2 4.35Å; V897-W929 HydrophobicContact CG2-CH2 4.44Å; V897-W929 HydrophobicContact CG2-CZ2 4.48Å; V897-Y931 HydrophobicContact CG1-CD2 4.31Å; V897-Y931 HydrophobicContact CG1-CE1 4.27Å; V897-Y931 HydrophobicContact CG1-CE2 3.8Å; V897-Y931 HydrophobicContact CG2-CD1 3.97Å; V897-Y931 HydrophobicContact CG2-CE1 3.83Å; V897-Y931 HydrophobicContact CG2-CG 4.42Å
898A88.8Confident89.3Confident57 Ų5761.3 Ų61.347%0.47132%0.323SS..  trans-68.9128.3174.100000110.5T900 T901A898-T900 PolarHBondContact O-N 2.94Å; A898-T901 HydrophobicContact CB-CG2 4.29Å; A898-T901 PolarHBondContact O-N 3.34Å; A898-T901 PolarHBondContact O-OG1 3.37Å
899R87.2Confident88.9Confident114 Ų11462.8 Ų62.843%0.4334%0.335SS..G310 helixtrans-52.3-26.1-177.3-170.2166.6171.9170.7-7.7114.7D889 L892 V897 T901 L907D889-R899 IonicContact OD1-CZ 3.7Å; D889-R899 IonicContact OD1-NH1 2.7Å; D889-R899 PolarHBondContact OD1-NH1 3.41Å; D889-R899 IonicContact OD2-NH1 3.24Å; D889-R899 PolarHBondContact OD2-NH1 2.97Å; L892-R899 HydrophobicContact CD1-CB 3.83Å; L892-R899 HydrophobicContact CD1-CG 3.94Å; V897-R899 PolarHBondContact O-N 3.41Å; R899-T901 VanDerWaalsContact C-N 3.3Å; R899-T901 PolarHBondContact O-N 3.26Å; R899-L907 HydrophobicContact CG-CD1 4.5Å
900T87.9Confident88.8Confident135 Ų13559.3 Ų59.383%0.82832%0.316SS*.G310 helixtrans-74.7-9.1176.2540000115A898A898-T900 PolarHBondContact O-N 2.94Å
901T87.4Confident88.7Confident73 Ų7358.4 Ų58.445%0.44831%0.311SS..G310 helixtrans-90.6-12.1175.366.30000113.1A898 R899 Y931A898-T901 HydrophobicContact CB-CG2 4.29Å; A898-T901 PolarHBondContact O-N 3.34Å; A898-T901 PolarHBondContact O-OG1 3.37Å; R899-T901 VanDerWaalsContact C-N 3.3Å; R899-T901 PolarHBondContact O-N 3.26Å; T901-Y931 PolarHBondContact OG1-OH 3.15Å
902L86.4Confident88.3Confident20 Ų2060.7 Ų60.711%0.10533%0.33CS..SBendtrans-86.5134.7177.8-64.7165.1000110L892 V897 E906 L907 W929 Y931L892-L902 HydrophobicContact CD1-CD1 4.28Å; L892-L902 HydrophobicContact CD2-CD1 3.51Å; V897-L902 HydrophobicContact CG1-CD1 4.37Å; V897-L902 HydrophobicContact CG1-CD2 4.32Å; V897-L902 HydrophobicContact CG1-CG 4.21Å; L902-E906 HydrophobicContact CB-CB 4.28Å; L902-E906 HydrophobicContact CD2-CB 3.69Å; L902-L907 HydrophobicContact CB-CB 4.37Å; L902-L907 HydrophobicContact CD1-CD1 4.25Å; L902-W929 HydrophobicContact CD2-CH2 4.06Å; L902-W929 HydrophobicContact CD2-CZ3 3.8Å; L902-Y931 HydrophobicContact CD2-CD2 3.51Å; L902-Y931 HydrophobicContact CD2-CE2 3.56Å; L902-Y931 HydrophobicContact CG-CE2 4.43Å
903N86.5Confident88.3Confident85 Ų8562.7 Ų62.746%0.45534%0.344SS..  trans-76.3168.1163.173.565.7000110.9S905 E906 L907N903-S905 PolarHBondContact O-N 2.95Å; N903-S905 WeakPolarHBondContact OD1-CA 3.35Å; N903-S905 VanDerWaalsContact OD1-CB 3.22Å; N903-S905 WeakPolarHBondContact OD1-CB 3.27Å; N903-S905 PolarHBondContact OD1-N 2.81Å; N903-E906 PolarHBondContact N-OE2 3.45Å; N903-E906 WeakPolarHBondContact ND2-CG 3.39Å; N903-E906 PolarHBondContact ND2-OE2 2.88Å; N903-E906 PolarHBondContact O-N 3Å; N903-E906 PolarHBondContact OD1-N 2.98Å; N903-E906 VanDerWaalsContact OD1-N 3.09Å; N903-L907 PolarHBondContact O-N 2.96Å
904E82Confident88.3Confident128 Ų12856.1 Ų56.160%0.59832%0.315SS*.Hα-helixtrans-59.8-33.3-175.6-60.8-178.1170.600113.3P742 A908P742-E904 HydrophobicContact CB-CB 4.23Å; P742-E904 HydrophobicContact CG-CB 3.55Å; E904-A908 VanDerWaalsContact O-CB 3.25Å; E904-A908 WeakPolarHBondContact O-CB 3.4Å; E904-A908 PolarHBondContact O-N 2.88Å
905S82.7Confident88.3Confident44 Ų4453.7 Ų53.731%0.30831%0.308SS..Hα-helixtrans-72.1-43.4177.6-173.40000112.1T739 N903 A908 A909T739-S905 WeakPolarHBondContact O-CA 3.28Å; T739-S905 VanDerWaalsContact O-CB 3.28Å; T739-S905 WeakPolarHBondContact O-CB 3.49Å; T739-S905 PolarHBondContact O-OG 2.8Å; N903-S905 PolarHBondContact O-N 2.95Å; N903-S905 WeakPolarHBondContact OD1-CA 3.35Å; N903-S905 VanDerWaalsContact OD1-CB 3.22Å; N903-S905 WeakPolarHBondContact OD1-CB 3.27Å; N903-S905 PolarHBondContact OD1-N 2.81Å; S905-A908 PolarHBondContact O-N 3.08Å; S905-A909 WeakPolarHBondContact O-CB 2.98Å; S905-A909 PolarHBondContact O-N 3.12Å
906E86.8Confident88.3Confident42 Ų4256.1 Ų56.120%0.19633%0.329CS..Hα-helixtrans-63-41.4174.5-68.2171.6130.600111.9L902 N903 A909 L910L902-E906 HydrophobicContact CB-CB 4.28Å; L902-E906 HydrophobicContact CD2-CB 3.69Å; N903-E906 PolarHBondContact N-OE2 3.45Å; N903-E906 WeakPolarHBondContact ND2-CG 3.39Å; N903-E906 PolarHBondContact ND2-OE2 2.88Å; N903-E906 PolarHBondContact O-N 3Å; N903-E906 PolarHBondContact OD1-N 2.98Å; N903-E906 VanDerWaalsContact OD1-N 3.09Å; E906-A909 PolarHBondContact O-N 3.37Å; E906-L910 WeakPolarHBondContact O-CB 3.48Å; E906-L910 PolarHBondContact O-N 2.91Å
907L88.7Confident88.4Confident45 Ų4549.2 Ų49.224%0.23629%0.293CS..Hα-helixtrans-66.5-40.6176.1-176.961.7000111.8V888 R899 L902 N903 Y911V888-L907 HydrophobicContact CG1-CD1 4.39Å; R899-L907 HydrophobicContact CG-CD1 4.5Å; L902-L907 HydrophobicContact CB-CB 4.37Å; L902-L907 HydrophobicContact CD1-CD1 4.25Å; N903-L907 PolarHBondContact O-N 2.96Å; L907-Y911 WeakPolarHBondContact O-CB 3.05Å; L907-Y911 PolarHBondContact O-N 2.97Å
908A85.3Confident88.5Confident17 Ų1749.2 Ų49.214%0.1429%0.292CS..Hα-helixtrans-66.9-37.7175.400000112.5R738 E904 S905 Y911 A912R738-A908 WeakPolarHBondContact O-CB 2.97Å; E904-A908 VanDerWaalsContact O-CB 3.25Å; E904-A908 WeakPolarHBondContact O-CB 3.4Å; E904-A908 PolarHBondContact O-N 2.88Å; S905-A908 PolarHBondContact O-N 3.08Å; A908-Y911 PolarHBondContact O-N 2.86Å; A908-A912 WeakPolarHBondContact O-CB 3.13Å; A908-A912 PolarHBondContact O-N 3.48Å
909A87.5Confident88.4Confident32 Ų3250.3 Ų50.326%0.26430%0.295SS..Hα-helixtrans-63-49174.500000111.3T739 S905 E906 Y911 A912 C913T739-A909 HydrophobicContact CG2-CB 3.67Å; S905-A909 WeakPolarHBondContact O-CB 2.98Å; S905-A909 PolarHBondContact O-N 3.12Å; E906-A909 PolarHBondContact O-N 3.37Å; A909-Y911 VanDerWaalsContact C-N 3.33Å; A909-Y911 PolarHBondContact O-N 2.91Å; A909-A912 PolarHBondContact O-N 2.79Å; A909-C913 PolarHBondContact O-N 3.2Å; A909-C913 PolarHBondContact O-SG 2.81Å; A909-C913 VanDerWaalsContact O-SG 3.37Å
910L91.8Very high88.4Confident0 Ų047.3 Ų47.30%029%0.292CS..Hα-helixtrans-57.4-46.9173.8171.259.6000111V888 V891 L892 E906 A912 C913 V914 W929V888-L910 HydrophobicContact CG1-CD2 3.96Å; V888-L910 HydrophobicContact CG1-CG 4.32Å; V891-L910 HydrophobicContact CG1-CD1 3.81Å; L892-L910 HydrophobicContact CD1-CD2 4.41Å; L892-L910 HydrophobicContact CD2-CD2 3.42Å; L892-L910 VanDerWaalsContact CD2-CD2 3.42Å; L892-L910 HydrophobicContact CG-CD2 3.83Å; E906-L910 WeakPolarHBondContact O-CB 3.48Å; E906-L910 PolarHBondContact O-N 2.91Å; L910-A912 VanDerWaalsContact C-N 3.33Å; L910-A912 PolarHBondContact O-N 3.04Å; L910-C913 PolarHBondContact O-N 2.88Å; L910-V914 HydrophobicContact CD1-CG2 3.69Å; L910-V914 HydrophobicContact CG-CG2 4.31Å; L910-V914 WeakPolarHBondContact O-CG2 3.44Å; L910-V914 PolarHBondContact O-N 3.11Å; L910-W929 HydrophobicContact CB-CD2 4.37Å; L910-W929 HydrophobicContact CB-CE3 3.87Å; L910-W929 HydrophobicContact CB-CZ3 4.19Å; L910-W929 HydrophobicContact CD1-CB 4.31Å; L910-W929 HydrophobicContact CD1-CD2 3.7Å; L910-W929 HydrophobicContact CD1-CE3 4.08Å; L910-W929 HydrophobicContact CD1-CG 3.82Å; L910-W929 HydrophobicContact CD2-CE3 4.35Å; L910-W929 HydrophobicContact CD2-CH2 4.1Å; L910-W929 HydrophobicContact CD2-CZ2 4.31Å; L910-W929 HydrophobicContact CD2-CZ3 4.12Å; L910-W929 HydrophobicContact CG-CD2 4.42Å; L910-W929 HydrophobicContact CG-CE3 4.31Å
911Y91.3Very high88Confident17 Ų1744.4 Ų44.47%0.06727%0.271CS..Hα-helixtrans-57-46.1178.8-165.1-86.3000111.8E881 T884 H885 V888 L907 A908 A909 C913 V914 E915E881-Y911 WeakPolarHBondContact CB-OH 3.21Å; E881-Y911 PolarHBondContact O-OH 3.14Å; E881-Y911 PolarHBondContact OE2-OH 3.06Å; T884-Y911 WeakPolarHBondContact CB-OH 3.47Å; T884-Y911 HydrophobicContact CG2-CD1 4.43Å; T884-Y911 HydrophobicContact CG2-CD2 4.2Å; T884-Y911 HydrophobicContact CG2-CE1 3.93Å; T884-Y911 HydrophobicContact CG2-CE2 3.65Å; T884-Y911 VanDerWaalsContact CG2-CZ 3.49Å; H885-Y911 AromaticContact CE1-CE2 3.42Å; H885-Y911 VanDerWaalsContact CE1-CE2 3.42Å; H885-Y911 WeakPolarHBondContact CE1-CE2 3.37Å; H885-Y911 AromaticContact ND1-CE2 3.52Å; H885-Y911 AromaticContact NE2-CE2 3.95Å; V888-Y911 HydrophobicContact CG2-CD2 3.91Å; V888-Y911 HydrophobicContact CG2-CE2 4.46Å; L907-Y911 WeakPolarHBondContact O-CB 3.05Å; L907-Y911 PolarHBondContact O-N 2.97Å; A908-Y911 PolarHBondContact O-N 2.86Å; A909-Y911 VanDerWaalsContact C-N 3.33Å; A909-Y911 PolarHBondContact O-N 2.91Å; Y911-C913 PolarHBondContact O-N 3.27Å; Y911-V914 PolarHBondContact O-N 2.89Å; Y911-E915 WeakPolarHBondContact O-CB 3.47Å; Y911-E915 PolarHBondContact O-N 3.15Å
912A88Confident87.8Confident48 Ų4846.5 Ų46.540%0.39728%0.276SS..Hα-helixtrans-62.9-41.1177.400000112.5A908 A909 L910 A916A908-A912 WeakPolarHBondContact O-CB 3.13Å; A908-A912 PolarHBondContact O-N 3.48Å; A909-A912 PolarHBondContact O-N 2.79Å; L910-A912 VanDerWaalsContact C-N 3.33Å; L910-A912 PolarHBondContact O-N 3.04Å; A912-A916 VanDerWaalsContact O-CB 3.28Å; A912-A916 WeakPolarHBondContact O-CB 3.27Å; A912-A916 PolarHBondContact O-N 2.96Å
913C91.8Very high87.6Confident48 Ų4849.9 Ų49.932%0.32430%0.301SS..Hα-helixtrans-63.3-42174.7-69.40000112.4A909 L910 Y911 A917 W929A909-C913 PolarHBondContact O-N 3.2Å; A909-C913 PolarHBondContact O-SG 2.81Å; A909-C913 VanDerWaalsContact O-SG 3.37Å; L910-C913 PolarHBondContact O-N 2.88Å; Y911-C913 PolarHBondContact O-N 3.27Å; C913-A917 WeakPolarHBondContact O-CB 3.33Å; C913-A917 PolarHBondContact O-N 2.83Å; C913-W929 HydrophobicContact CB-CB 4.39Å
914V93.9Very high87.7Confident0 Ų047.4 Ų47.40%029%0.29CS..Hα-helixtrans-70.3-41179.31780000111.5T884 L887 V888 V891 L910 Y911 A917 K918 I927T884-V914 HydrophobicContact CG2-CB 4.31Å; T884-V914 HydrophobicContact CG2-CG1 3.95Å; L887-V914 HydrophobicContact CB-CG1 3.79Å; L887-V914 HydrophobicContact CD2-CG1 3.61Å; L887-V914 HydrophobicContact CG-CG1 3.56Å; V888-V914 HydrophobicContact CG2-CB 3.81Å; V888-V914 HydrophobicContact CG2-CG1 3.94Å; V888-V914 HydrophobicContact CG2-CG2 3.8Å; V891-V914 HydrophobicContact CG2-CG2 4.27Å; L910-V914 HydrophobicContact CD1-CG2 3.69Å; L910-V914 HydrophobicContact CG-CG2 4.31Å; L910-V914 WeakPolarHBondContact O-CG2 3.44Å; L910-V914 PolarHBondContact O-N 3.11Å; Y911-V914 PolarHBondContact O-N 2.89Å; V914-A917 PolarHBondContact O-N 2.97Å; V914-K918 WeakPolarHBondContact O-CB 3.42Å; V914-K918 PolarHBondContact O-N 3.27Å; V914-I927 HydrophobicContact CG1-CD1 4.39Å; V914-I927 HydrophobicContact CG2-CD1 4.29Å; V914-I927 HydrophobicContact CG2-CG2 3.98Å
915E91Very high88.2Confident43 Ų4341.5 Ų41.520%0.20126%0.263CS..Hα-helixtrans-61.9-48.8175.1-175.960.9-154.700111.4T884 Y911 A917 K918 C919T884-E915 WeakPolarHBondContact CB-OE2 3.33Å; T884-E915 HydrophobicContact CG2-CB 4.11Å; T884-E915 VanDerWaalsContact CG2-OE2 3.31Å; T884-E915 WeakPolarHBondContact CG2-OE2 3.5Å; T884-E915 PolarHBondContact OG1-OE2 3.36Å; Y911-E915 WeakPolarHBondContact O-CB 3.47Å; Y911-E915 PolarHBondContact O-N 3.15Å; E915-A917 VanDerWaalsContact C-N 3.31Å; E915-A917 PolarHBondContact O-N 3.48Å; E915-K918 PolarHBondContact O-N 2.94Å; E915-K918 WeakPolarHBondContact OE1-CE 3.47Å; E915-K918 IonicContact OE1-NZ 3.27Å; E915-K918 PolarHBondContact OE1-NZ 3.04Å; E915-K918 IonicContact OE2-NZ 2.71Å; E915-K918 PolarHBondContact OE2-NZ 3.1Å; E915-C919 WeakPolarHBondContact O-CB 3.34Å; E915-C919 PolarHBondContact O-N 3.02Å; E915-C919 PolarHBondContact O-SG 2.95Å; E915-C919 PolarHBondContact OE1-SG 3.28Å
916A89.8Confident88.7Confident65 Ų6544 Ų4454%0.53727%0.269SS..Hα-helixtrans-61.2-40178.200000112A912 S920A912-A916 VanDerWaalsContact O-CB 3.28Å; A912-A916 WeakPolarHBondContact O-CB 3.27Å; A912-A916 PolarHBondContact O-N 2.96Å; A916-S920 PolarHBondContact O-N 2.99Å
917A91.9Very high89Confident10 Ų1042.1 Ų42.18%0.08326%0.26CS..Hα-helixtrans-62.3-54.3172.900000111C913 V914 E915 C919 S920 L925 I927C913-A917 WeakPolarHBondContact O-CB 3.33Å; C913-A917 PolarHBondContact O-N 2.83Å; V914-A917 PolarHBondContact O-N 2.97Å; E915-A917 VanDerWaalsContact C-N 3.31Å; E915-A917 PolarHBondContact O-N 3.48Å; A917-C919 VanDerWaalsContact C-N 3.27Å; A917-C919 PolarHBondContact O-N 3.45Å; A917-S920 VanDerWaalsContact O-CB 3.29Å; A917-S920 WeakPolarHBondContact O-CB 3.42Å; A917-S920 PolarHBondContact O-N 2.79Å; A917-S920 PolarHBondContact O-OG 2.88Å; A917-L925 HydrophobicContact CB-CD1 4.08Å; A917-L925 HydrophobicContact CB-CG 4.27Å; A917-L925 WeakPolarHBondContact O-CD1 3.47Å; A917-I927 HydrophobicContact CB-CD1 4.42Å; A917-I927 HydrophobicContact CB-CG1 3.7Å
918K91.9Very high89.1Confident11 Ų1147.3 Ų47.35%0.04828%0.277CS..Hα-helixtrans-50.6-46.8179.5-175-16175.4-1610111.7G880 F883 T884 V914 E915 S920 N921 W949 M986G880-K918 PolarHBondContact O-NZ 3.47Å; F883-K918 HydrophobicContact CB-CD 4.24Å; T884-K918 PolarHBondContact OG1-NZ 3.05Å; V914-K918 WeakPolarHBondContact O-CB 3.42Å; V914-K918 PolarHBondContact O-N 3.27Å; E915-K918 PolarHBondContact O-N 2.94Å; E915-K918 WeakPolarHBondContact OE1-CE 3.47Å; E915-K918 IonicContact OE1-NZ 3.27Å; E915-K918 PolarHBondContact OE1-NZ 3.04Å; E915-K918 IonicContact OE2-NZ 2.71Å; E915-K918 PolarHBondContact OE2-NZ 3.1Å; K918-S920 VanDerWaalsContact C-N 3.28Å; K918-S920 PolarHBondContact O-N 2.74Å; K918-N921 PolarHBondContact O-N 3.48Å; K918-W949 HydrophobicContact CG-CH2 4.23Å; K918-W949 HydrophobicContact CG-CZ2 4.4Å; K918-M986 HydrophobicContact CD-CE 4.28Å; K918-M986 HydrophobicContact CD-SD 4.17Å; K918-M986 HydrophobicContact CG-CE 4.19Å; K918-M986 HydrophobicContact CG-SD 4.43Å
919C87.7Confident89.4Confident79 Ų7946.8 Ų46.853%0.53427%0.271SS..Hα-helixtrans-73.1-14.8-179.2-67.40000114.3E915 A917 N921E915-C919 WeakPolarHBondContact O-CB 3.34Å; E915-C919 PolarHBondContact O-N 3.02Å; E915-C919 PolarHBondContact O-SG 2.95Å; E915-C919 PolarHBondContact OE1-SG 3.28Å; A917-C919 VanDerWaalsContact C-N 3.27Å; A917-C919 PolarHBondContact O-N 3.45Å; C919-N921 VanDerWaalsContact C-N 3.26Å; C919-N921 PolarHBondContact O-N 3.06Å
920S86.3Confident89.4Confident52 Ų5250.2 Ų50.236%0.36428%0.282SS..THydrogen-bonded Turntrans-71.8-17.4175.177.50000114A916 A917 K918 Q922A916-S920 PolarHBondContact O-N 2.99Å; A917-S920 VanDerWaalsContact O-CB 3.29Å; A917-S920 WeakPolarHBondContact O-CB 3.42Å; A917-S920 PolarHBondContact O-N 2.79Å; A917-S920 PolarHBondContact O-OG 2.88Å; K918-S920 VanDerWaalsContact C-N 3.28Å; K918-S920 PolarHBondContact O-N 2.74Å; S920-Q922 PolarHBondContact O-N 3.07Å; S920-Q922 WeakPolarHBondContact OG-CG 3.4Å; S920-Q922 PolarHBondContact OG-N 2.8Å
921N78.7Confident89.1Confident74 Ų7451.5 Ų51.540%0.39629%0.287SS..THydrogen-bonded Turntrans51.125.4-175.6-73-34000114.8K918 C919 P987K918-N921 PolarHBondContact O-N 3.48Å; C919-N921 VanDerWaalsContact C-N 3.26Å; C919-N921 PolarHBondContact O-N 3.06Å; N921-P987 HydrophobicContact CB-CG 4.46Å; N921-P987 WeakPolarHBondContact OD1-CD 3.37Å
922Q83.5Confident88.6Confident116 Ų11657.5 Ų57.554%0.54232%0.315SS..  trans-75.3148.2177-67.1-178.78.200112.1S920 P924S920-Q922 PolarHBondContact O-N 3.07Å; S920-Q922 WeakPolarHBondContact OG-CG 3.4Å; S920-Q922 PolarHBondContact OG-N 2.8Å; Q922-P924 CarbonylContact C-O 3.47Å
923S82.2Confident88.3Confident91 Ų9164.6 Ų64.664%0.63634%0.34SS*.SBendtrans-135.3119.2174.5174.70000110.2
924P89.3Confident88Confident33 Ų3367.3 Ų67.321%0.21435%0.348CS..SBendcis-65.7158.4-3.929.6-34.1000112.1Q922 H926 F940 Y941Q922-P924 CarbonylContact C-O 3.47Å; P924-H926 PolarHBondContact O-CD2 2.77Å; P924-H926 PolarHBondContact O-N 3.26Å; P924-F940 WeakPolarHBondContact CA-O 3.31Å; P924-Y941 HydrophobicContact CB-CD1 4.18Å; P924-Y941 HydrophobicContact CB-CE1 4.08Å; P924-Y941 HydrophobicContact CB-CG 4.48Å; P924-Y941 HydrophobicContact CG-CE1 4.31Å
925L91.5Very high87.8Confident5 Ų569.9 Ų69.93%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-84.6107.6178.7-170.971.8000109L887 A917 I927 E939 F940 L945L887-L925 HydrophobicContact CD2-CD2 3.65Å; A917-L925 HydrophobicContact CB-CD1 4.08Å; A917-L925 HydrophobicContact CB-CG 4.27Å; A917-L925 WeakPolarHBondContact O-CD1 3.47Å; L925-I927 HydrophobicContact CD2-CD1 4.24Å; L925-I927 HydrophobicContact CG-CG1 4.44Å; L925-E939 WeakPolarHBondContact O-CA 3.34Å; L925-F940 HydrophobicContact CB-CB 4.21Å; L925-F940 PolarHBondContact N-O 2.95Å; L925-F940 PolarHBondContact O-N 3.35Å; L925-L945 HydrophobicContact CB-CD1 4.17Å; L925-L945 HydrophobicContact CD2-CD1 4.04Å; L925-L945 HydrophobicContact CD2-CD2 4.25Å
926H93Very high87.7Confident95 Ų9571.6 Ų71.644%0.4437%0.369SS..EExtended strand (participates in β ladder)trans-91.1123.3178.7-57.5-83.8000110.8P924 E939P924-H926 PolarHBondContact O-CD2 2.77Å; P924-H926 PolarHBondContact O-N 3.26Å; H926-E939 IonicContact CE1-OE1 3.6Å; H926-E939 PolarHBondContact CE1-OE1 3.01Å; H926-E939 IonicContact ND1-OE1 3.9Å; H926-E939 PolarHBondContact ND1-OE1 2.99Å
927I93.2Very high87.8Confident4 Ų474.2 Ų74.22%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-119.2118.9178.7-59.6175.7000108.4L887 V891 V914 A917 L925 E937 C938 F940L887-I927 HydrophobicContact CD1-CD1 4.23Å; L887-I927 HydrophobicContact CD2-CD1 3.97Å; L887-I927 HydrophobicContact CG-CD1 4.04Å; V891-I927 HydrophobicContact CG2-CD1 3.72Å; V891-I927 HydrophobicContact CG2-CG2 4.3Å; V914-I927 HydrophobicContact CG1-CD1 4.39Å; V914-I927 HydrophobicContact CG2-CD1 4.29Å; V914-I927 HydrophobicContact CG2-CG2 3.98Å; A917-I927 HydrophobicContact CB-CD1 4.42Å; A917-I927 HydrophobicContact CB-CG1 3.7Å; L925-I927 HydrophobicContact CD2-CD1 4.24Å; L925-I927 HydrophobicContact CG-CG1 4.44Å; I927-E937 CarbonylContact O-C 3.48Å; I927-E937 WeakPolarHBondContact O-CA 3.34Å; I927-C938 PolarHBondContact N-O 2.71Å; I927-C938 PolarHBondContact O-N 2.89Å; I927-F940 HydrophobicContact CD1-CD2 3.98Å; I927-F940 HydrophobicContact CD1-CE2 3.8Å
928R92.6Very high87.8Confident153 Ų15374.5 Ų74.558%0.57737%0.371SS*.EExtended strand (participates in β ladder)trans-123.1126.7178.8179.2177.9-179.1133.39.5109.7T935 R936 E937R928-T935 HydrophobicContact CG-CG2 3.68Å; R928-R936 WeakPolarHBondContact CA-O 3.24Å; R928-E937 HydrophobicContact CB-CG 4.07Å; R928-E937 WeakPolarHBondContact CD-OE1 3.35Å; R928-E937 HydrophobicContact CG-CG 3.85Å; R928-E937 IonicContact CZ-OE1 3.34Å; R928-E937 IonicContact NE-OE1 2.97Å; R928-E937 PolarHBondContact NE-OE1 3.04Å; R928-E937 IonicContact NH1-OE1 2.83Å; R928-E937 PolarHBondContact NH1-OE1 3.1Å; R928-E937 IonicContact NH2-OE1 2.71Å
929W90.9Very high87.9Confident6 Ų678.3 Ų78.32%0.02339%0.389CS..EExtended strand (participates in β ladder)trans-143.3166.2-179.567.8-67.1000111.3L892 A895 V897 L902 L910 C913 Y931 T935 R936L892-W929 HydrophobicContact CD2-CH2 3.95Å; L892-W929 HydrophobicContact CD2-CZ2 4.23Å; A895-W929 HydrophobicContact CB-CZ2 4.25Å; V897-W929 HydrophobicContact CG1-CH2 4.35Å; V897-W929 HydrophobicContact CG2-CH2 4.44Å; V897-W929 HydrophobicContact CG2-CZ2 4.48Å; L902-W929 HydrophobicContact CD2-CH2 4.06Å; L902-W929 HydrophobicContact CD2-CZ3 3.8Å; L910-W929 HydrophobicContact CB-CD2 4.37Å; L910-W929 HydrophobicContact CB-CE3 3.87Å; L910-W929 HydrophobicContact CB-CZ3 4.19Å; L910-W929 HydrophobicContact CD1-CB 4.31Å; L910-W929 HydrophobicContact CD1-CD2 3.7Å; L910-W929 HydrophobicContact CD1-CE3 4.08Å; L910-W929 HydrophobicContact CD1-CG 3.82Å; L910-W929 HydrophobicContact CD2-CE3 4.35Å; L910-W929 HydrophobicContact CD2-CH2 4.1Å; L910-W929 HydrophobicContact CD2-CZ2 4.31Å; L910-W929 HydrophobicContact CD2-CZ3 4.12Å; L910-W929 HydrophobicContact CG-CD2 4.42Å; L910-W929 HydrophobicContact CG-CE3 4.31Å; C913-W929 HydrophobicContact CB-CB 4.39Å; W929-Y931 HydrophobicContact CH2-CD2 4.11Å; W929-Y931 HydrophobicContact CH2-CG 4.15Å; W929-Y931 HydrophobicContact CZ3-CD2 4.11Å; W929-Y931 HydrophobicContact CZ3-CG 4.3Å; W929-T935 WeakPolarHBondContact O-CA 3.26Å; W929-R936 PolarHBondContact N-O 2.91Å; W929-R936 PolarHBondContact O-N 2.91Å
930Q87.4Confident88.2Confident105 Ų10574.6 Ų74.649%0.49136%0.364SS..EExtended strand (participates in β ladder)trans-102.9134.7174.7-58.7-60.4-21.200109.6E934 T935Q930-E934 PolarHBondContact OE1-O 2.62Å; Q930-T935 VanDerWaalsContact CD-OG1 3.31Å; Q930-T935 PolarHBondContact NE2-OG1 3.14Å; Q930-T935 VanDerWaalsContact OE1-CA 3.29Å; Q930-T935 PolarHBondContact OE1-OG1 2.91Å
931Y84.8Confident88.4Confident26 Ų2677.6 Ų77.610%0.10237%0.368CS..EExtended strand (participates in β ladder)trans-131.8118.1170.9177-117.2000108.3V897 T901 L902 W929 E933 E934V897-Y931 HydrophobicContact CG1-CD2 4.31Å; V897-Y931 HydrophobicContact CG1-CE1 4.27Å; V897-Y931 HydrophobicContact CG1-CE2 3.8Å; V897-Y931 HydrophobicContact CG2-CD1 3.97Å; V897-Y931 HydrophobicContact CG2-CE1 3.83Å; V897-Y931 HydrophobicContact CG2-CG 4.42Å; T901-Y931 PolarHBondContact OG1-OH 3.15Å; L902-Y931 HydrophobicContact CD2-CD2 3.51Å; L902-Y931 HydrophobicContact CD2-CE2 3.56Å; L902-Y931 HydrophobicContact CG-CE2 4.43Å; W929-Y931 HydrophobicContact CH2-CD2 4.11Å; W929-Y931 HydrophobicContact CH2-CG 4.15Å; W929-Y931 HydrophobicContact CZ3-CD2 4.11Å; W929-Y931 HydrophobicContact CZ3-CG 4.3Å; Y931-E933 PolarHBondContact O-N 2.85Å; Y931-E934 PolarHBondContact N-O 2.59Å; Y931-E934 PolarHBondContact O-N 3.1Å; Y931-E934 VanDerWaalsContact O-O 3.1Å
932Q81Confident88.9Confident143 Ų14377.6 Ų77.667%0.66837%0.366SS*.THydrogen-bonded Turntrans54.4-126.2-168.6-51.3179.12.300110.8
933E81.6Confident89.2Confident197 Ų19776.9 Ų76.992%0.92137%0.365SS*.THydrogen-bonded Turntrans-94.45.8175.3-61.3-173.7171.100113.1Y931Y931-E933 PolarHBondContact O-N 2.85Å
934E86.1Confident89.7Confident105 Ų10575.1 Ų75.149%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-109133.1-176-65.9-174164.700112.8Q930 Y931 R936Q930-E934 PolarHBondContact OE1-O 2.62Å; Y931-E934 PolarHBondContact N-O 2.59Å; Y931-E934 PolarHBondContact O-N 3.1Å; Y931-E934 VanDerWaalsContact O-O 3.1Å; E934-R936 IonicContact OE2-CZ 2.66Å; E934-R936 VanDerWaalsContact OE2-CZ 3.28Å; E934-R936 IonicContact OE2-NE 3.86Å; E934-R936 PolarHBondContact OE2-NE 2.97Å; E934-R936 VanDerWaalsContact OE2-NE 3.09Å; E934-R936 IonicContact OE2-NH2 3.89Å; E934-R936 PolarHBondContact OE2-NH2 3.13Å
935T89.2Confident89.9Confident55 Ų5574.2 Ų74.234%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-75.8126.4165.4-59.30000109.6R928 W929 Q930 E937R928-T935 HydrophobicContact CG-CG2 3.68Å; W929-T935 WeakPolarHBondContact O-CA 3.26Å; Q930-T935 VanDerWaalsContact CD-OG1 3.31Å; Q930-T935 PolarHBondContact NE2-OG1 3.14Å; Q930-T935 VanDerWaalsContact OE1-CA 3.29Å; Q930-T935 PolarHBondContact OE1-OG1 2.91Å; T935-E937 HydrophobicContact CG2-CG 4.21Å
936R89.5Confident89.9Confident78 Ų7876.5 Ų76.529%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-109.2135.5173-62-57.6-176.4112.2-7.4109.7A895 R928 W929 E934A895-R936 PolarHBondContact O-NH1 3.19Å; R928-R936 WeakPolarHBondContact CA-O 3.24Å; W929-R936 PolarHBondContact N-O 2.91Å; W929-R936 PolarHBondContact O-N 2.91Å; E934-R936 IonicContact OE2-CZ 2.66Å; E934-R936 VanDerWaalsContact OE2-CZ 3.28Å; E934-R936 IonicContact OE2-NE 3.86Å; E934-R936 PolarHBondContact OE2-NE 2.97Å; E934-R936 VanDerWaalsContact OE2-NE 3.09Å; E934-R936 IonicContact OE2-NH2 3.89Å; E934-R936 PolarHBondContact OE2-NH2 3.13Å
937E92.2Very high89.9Confident121 Ų12177.5 Ų77.557%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-126.5139.8-178.2-69.2179.9174.900109.5I927 R928 T935I927-E937 CarbonylContact O-C 3.48Å; I927-E937 WeakPolarHBondContact O-CA 3.34Å; R928-E937 HydrophobicContact CB-CG 4.07Å; R928-E937 WeakPolarHBondContact CD-OE1 3.35Å; R928-E937 HydrophobicContact CG-CG 3.85Å; R928-E937 IonicContact CZ-OE1 3.34Å; R928-E937 IonicContact NE-OE1 2.97Å; R928-E937 PolarHBondContact NE-OE1 3.04Å; R928-E937 IonicContact NH1-OE1 2.83Å; R928-E937 PolarHBondContact NH1-OE1 3.1Å; R928-E937 IonicContact NH2-OE1 2.71Å; T935-E937 HydrophobicContact CG2-CG 4.21Å
938C91.6Very high90Very high15 Ų1578.8 Ų78.810%0.10137%0.366CS..EExtended strand (participates in β ladder)trans-138.5140.6175.8-71.90000109.3I927 F940I927-C938 PolarHBondContact N-O 2.71Å; I927-C938 PolarHBondContact O-N 2.89Å; C938-F940 HydrophobicContact CB-CE2 3.81Å
939E93.5Very high90.1Very high91 Ų9172 Ų7243%0.42534%0.341SS..EExtended strand (participates in β ladder)trans-113.8144.2172.4-56.5-169.5155.600109.3R894 L925 H926R894-E939 PolarHBondContact NH1-O 3.48Å; L925-E939 WeakPolarHBondContact O-CA 3.34Å; H926-E939 IonicContact CE1-OE1 3.6Å; H926-E939 PolarHBondContact CE1-OE1 3.01Å; H926-E939 IonicContact ND1-OE1 3.9Å; H926-E939 PolarHBondContact ND1-OE1 2.99Å
940F93.6Very high90.2Very high1 Ų175.4 Ų75.40%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-129.7126.1173.1-63.2-101.7000110.4L887 E890 V891 R894 P924 L925 I927 C938 E944 L945L887-F940 HydrophobicContact CD1-CD1 3.98Å; L887-F940 HydrophobicContact CD1-CD2 4.14Å; L887-F940 HydrophobicContact CD1-CE1 3.75Å; L887-F940 HydrophobicContact CD1-CE2 3.96Å; L887-F940 HydrophobicContact CD1-CG 4.16Å; L887-F940 HydrophobicContact CD1-CZ 3.76Å; E890-F940 HydrophobicContact CB-CE1 4.35Å; E890-F940 HydrophobicContact CG-CE1 3.67Å; E890-F940 HydrophobicContact CG-CZ 4.22Å; V891-F940 HydrophobicContact CG2-CE2 3.63Å; V891-F940 HydrophobicContact CG2-CZ 3.66Å; R894-F940 VanDerWaalsContact CZ-CE1 3.42Å; R894-F940 VanDerWaalsContact NE-CE1 3.27Å; P924-F940 WeakPolarHBondContact CA-O 3.31Å; L925-F940 HydrophobicContact CB-CB 4.21Å; L925-F940 PolarHBondContact N-O 2.95Å; L925-F940 PolarHBondContact O-N 3.35Å; I927-F940 HydrophobicContact CD1-CD2 3.98Å; I927-F940 HydrophobicContact CD1-CE2 3.8Å; C938-F940 HydrophobicContact CB-CE2 3.81Å; F940-E944 WeakPolarHBondContact CA-OE2 3.36Å; F940-L945 HydrophobicContact CB-CD1 4.32Å; F940-L945 HydrophobicContact CB-CD2 3.77Å; F940-L945 HydrophobicContact CB-CG 3.93Å; F940-L945 HydrophobicContact CD1-CD2 4.14Å; F940-L945 HydrophobicContact CG-CD2 4.12Å
941Y91.6Very high90.5Very high116 Ų11674 Ų7446%0.45536%0.359SS..  trans-85.5156.1172.7-67.4-94.9000110.6P924 N943 E944 L945P924-Y941 HydrophobicContact CB-CD1 4.18Å; P924-Y941 HydrophobicContact CB-CE1 4.08Å; P924-Y941 HydrophobicContact CB-CG 4.48Å; P924-Y941 HydrophobicContact CG-CE1 4.31Å; Y941-N943 WeakPolarHBondContact CB-OD1 3.45Å; Y941-N943 PolarHBondContact O-N 3.38Å; Y941-N943 VanDerWaalsContact O-N 3.16Å; Y941-E944 PolarHBondContact N-OE2 2.85Å; Y941-E944 WeakPolarHBondContact O-CB 3.42Å; Y941-E944 PolarHBondContact O-N 3.22Å; Y941-L945 PolarHBondContact O-N 2.9Å; Y941-L945 VanDerWaalsContact O-N 3.15Å
942E87.8Confident90.9Very high73 Ų7373.2 Ų73.234%0.34136%0.356SS..Hα-helixtrans-57.6-35.3-172-168-177.3-147.700113.5L945 E946 R991E942-L945 PolarHBondContact O-N 2.8Å; E942-E946 PolarHBondContact O-N 2.93Å; E942-R991 VanDerWaalsContact CD-CZ 3.41Å; E942-R991 IonicContact OE1-CZ 2.65Å; E942-R991 IonicContact OE1-NE 3.8Å; E942-R991 IonicContact OE1-NH1 3.92Å; E942-R991 PolarHBondContact OE1-NH1 2.65Å; E942-R991 IonicContact OE1-NH2 2.87Å; E942-R991 PolarHBondContact OE1-NH2 3.37Å; E942-R991 IonicContact OE2-CZ 3.69Å; E942-R991 IonicContact OE2-NH1 3.14Å; E942-R991 PolarHBondContact OE2-NH1 3.24Å; E942-R991 IonicContact OE2-NH2 2.76Å; E942-R991 PolarHBondContact OE2-NH2 3.05Å
943N90.5Very high91.4Very high101 Ų10166.6 Ų66.654%0.5433%0.326SS..Hα-helixtrans-67.5-35.8175.362.8-65.9000112.8Y941 L945 E946 D947Y941-N943 WeakPolarHBondContact CB-OD1 3.45Å; Y941-N943 PolarHBondContact O-N 3.38Å; Y941-N943 VanDerWaalsContact O-N 3.16Å; N943-L945 VanDerWaalsContact C-N 3.31Å; N943-E946 PolarHBondContact O-N 3.46Å; N943-D947 PolarHBondContact O-N 3.13Å
944E92.9Very high91.9Very high54 Ų5460.7 Ų60.725%0.25230%0.3SS..Hα-helixtrans-69-33.8176.8-53.1-174.5101.600111.3R894 F940 Y941 L948R894-E944 IonicContact CZ-OE1 3.76Å; R894-E944 IonicContact CZ-OE2 2.76Å; R894-E944 IonicContact NH1-OE1 2.66Å; R894-E944 PolarHBondContact NH1-OE1 3.29Å; R894-E944 VanDerWaalsContact NH1-OE1 3.16Å; R894-E944 IonicContact NH1-OE2 2.83Å; R894-E944 PolarHBondContact NH1-OE2 3.2Å; R894-E944 VanDerWaalsContact NH1-OE2 3.15Å; R894-E944 VanDerWaalsContact NH2-CD 3.33Å; R894-E944 IonicContact NH2-OE1 3.81Å; R894-E944 PolarHBondContact NH2-OE1 3.15Å; R894-E944 IonicContact NH2-OE2 2.99Å; F940-E944 WeakPolarHBondContact CA-OE2 3.36Å; Y941-E944 PolarHBondContact N-OE2 2.85Å; Y941-E944 WeakPolarHBondContact O-CB 3.42Å; Y941-E944 PolarHBondContact O-N 3.22Å; E944-L948 VanDerWaalsContact O-CB 3.22Å; E944-L948 WeakPolarHBondContact O-CB 3.48Å; E944-L948 PolarHBondContact O-N 3.47Å
945L92.8Very high92.2Very high15 Ų1559.8 Ų59.88%0.07929%0.292CS..Hα-helixtrans-72.3-36.8173.3-63.7174.9000112L887 L925 F940 Y941 E942 N943 W949 L988L887-L945 HydrophobicContact CD1-CD2 3.9Å; L925-L945 HydrophobicContact CB-CD1 4.17Å; L925-L945 HydrophobicContact CD2-CD1 4.04Å; L925-L945 HydrophobicContact CD2-CD2 4.25Å; F940-L945 HydrophobicContact CB-CD1 4.32Å; F940-L945 HydrophobicContact CB-CD2 3.77Å; F940-L945 HydrophobicContact CB-CG 3.93Å; F940-L945 HydrophobicContact CD1-CD2 4.14Å; F940-L945 HydrophobicContact CG-CD2 4.12Å; Y941-L945 PolarHBondContact O-N 2.9Å; Y941-L945 VanDerWaalsContact O-N 3.15Å; E942-L945 PolarHBondContact O-N 2.8Å; N943-L945 VanDerWaalsContact C-N 3.31Å; L945-W949 HydrophobicContact CB-CE3 3.94Å; L945-W949 HydrophobicContact CB-CH2 4.48Å; L945-W949 HydrophobicContact CB-CZ3 3.85Å; L945-W949 HydrophobicContact CD1-CH2 4.33Å; L945-W949 HydrophobicContact CD1-CZ3 4.22Å; L945-W949 HydrophobicContact CD2-CH2 4Å; L945-W949 HydrophobicContact CD2-CZ2 4.21Å; L945-W949 HydrophobicContact CD2-CZ3 4.23Å; L945-W949 HydrophobicContact CG-CZ3 4.32Å; L945-W949 WeakPolarHBondContact O-CB 3.38Å; L945-W949 PolarHBondContact O-N 2.79Å; L945-L988 HydrophobicContact CB-CD1 3.96Å
946E91.7Very high92.3Very high52 Ų5257.1 Ų57.124%0.24328%0.276CS..Hα-helixtrans-62.8-44.8172.7-164.7157.8-179.300110.7E942 N943 L950 L988 R991 R995E942-E946 PolarHBondContact O-N 2.93Å; N943-E946 PolarHBondContact O-N 3.46Å; E946-L950 WeakPolarHBondContact O-CB 3.31Å; E946-L950 PolarHBondContact O-N 3Å; E946-L988 HydrophobicContact CB-CD1 4.33Å; E946-L988 HydrophobicContact CB-CD2 3.65Å; E946-L988 HydrophobicContact CG-CD2 3.55Å; E946-R991 IonicContact OE2-NH2 3.53Å; E946-R995 IonicContact OE1-CZ 2.76Å; E946-R995 IonicContact OE1-NH1 3.38Å; E946-R995 PolarHBondContact OE1-NH1 3.47Å; E946-R995 IonicContact OE1-NH2 3.96Å
947D93.5Very high92.3Very high117 Ų11757.9 Ų57.963%0.62628%0.279SS*.Hα-helixtrans-65.3-45.1176.1-76.3-25000112.4N943 L950N943-D947 PolarHBondContact O-N 3.13Å; D947-L950 WeakPolarHBondContact O-CB 3.45Å
948L94.5Very high92.2Very high30 Ų3056.8 Ų56.816%0.15728%0.281CS..Hα-helixtrans-61.7-49.2178.6175.764.4000111.7M886 L887 E890 E944 P951M886-L948 HydrophobicContact CB-CD1 4.42Å; M886-L948 HydrophobicContact CE-CD1 4.25Å; M886-L948 WeakPolarHBondContact CE-O 3.41Å; L887-L948 HydrophobicContact CB-CD2 4.27Å; L887-L948 HydrophobicContact CD1-CD2 3.84Å; E890-L948 HydrophobicContact CB-CD1 3.94Å; E890-L948 HydrophobicContact CB-CD2 4.08Å; E890-L948 HydrophobicContact CG-CD1 4.29Å; E890-L948 HydrophobicContact CG-CD2 4.41Å; E944-L948 VanDerWaalsContact O-CB 3.22Å; E944-L948 WeakPolarHBondContact O-CB 3.48Å; E944-L948 PolarHBondContact O-N 3.47Å; L948-P951 WeakPolarHBondContact O-CD 3.42Å
949W94.8Very high92.2Very high10 Ų1056.6 Ų56.64%0.03828%0.279CS..Hα-helixtrans-87.2-2.8-174.7-64.9-38.1000114F883 L887 K918 L945 L952 L953 M986 L988F883-W949 HydrophobicContact CB-CZ2 4.27Å; F883-W949 HydrophobicContact CD1-CB 3.98Å; F883-W949 AromaticContact CD1-CD1 3.79Å; F883-W949 AromaticContact CD1-CD2 3.7Å; F883-W949 HydrophobicContact CD1-CD2 3.7Å; F883-W949 AromaticContact CD1-CE2 3.97Å; F883-W949 HydrophobicContact CD1-CE3 4.22Å; F883-W949 AromaticContact CD1-CG 3.58Å; F883-W949 HydrophobicContact CD1-CG 3.58Å; F883-W949 HydrophobicContact CE1-CB 4.07Å; F883-W949 HydrophobicContact CE1-CD2 4.48Å; F883-W949 HydrophobicContact CE1-CG 4.18Å; F883-W949 PolarHBondContact O-NE1 2.67Å; L887-W949 HydrophobicContact CB-CZ2 4.31Å; L887-W949 HydrophobicContact CD2-CH2 4.49Å; L887-W949 HydrophobicContact CD2-CZ2 3.9Å; K918-W949 HydrophobicContact CG-CH2 4.23Å; K918-W949 HydrophobicContact CG-CZ2 4.4Å; L945-W949 HydrophobicContact CB-CE3 3.94Å; L945-W949 HydrophobicContact CB-CH2 4.48Å; L945-W949 HydrophobicContact CB-CZ3 3.85Å; L945-W949 HydrophobicContact CD1-CH2 4.33Å; L945-W949 HydrophobicContact CD1-CZ3 4.22Å; L945-W949 HydrophobicContact CD2-CH2 4Å; L945-W949 HydrophobicContact CD2-CZ2 4.21Å; L945-W949 HydrophobicContact CD2-CZ3 4.23Å; L945-W949 HydrophobicContact CG-CZ3 4.32Å; L945-W949 WeakPolarHBondContact O-CB 3.38Å; L945-W949 PolarHBondContact O-N 2.79Å; W949-L952 PolarHBondContact O-N 3.17Å; W949-L953 HydrophobicContact CB-CD1 4.2Å; W949-L953 HydrophobicContact CB-CG 4.15Å; W949-L953 WeakPolarHBondContact O-CG 3.5Å; W949-L953 PolarHBondContact O-N 3.42Å; W949-M986 HydrophobicContact CD2-CE 4.39Å; W949-M986 HydrophobicContact CE3-CE 3.86Å; W949-M986 HydrophobicContact CH2-CE 3.51Å; W949-M986 HydrophobicContact CZ2-CE 4.05Å; W949-M986 HydrophobicContact CZ3-CE 3.4Å; W949-L988 HydrophobicContact CE3-CD1 3.64Å; W949-L988 HydrophobicContact CZ3-CD1 3.95Å
950L93.1Very high92Very high79 Ų7952.3 Ų52.341%0.41426%0.259SS..Hα-helixtrans-44.5-39.1178-172.660.9000114.5E946 D947 N954E946-L950 WeakPolarHBondContact O-CB 3.31Å; E946-L950 PolarHBondContact O-N 3Å; D947-L950 WeakPolarHBondContact O-CB 3.45Å; L950-N954 WeakPolarHBondContact O-CB 3.45Å; L950-N954 VanDerWaalsContact O-CG 3.27Å; L950-N954 PolarHBondContact O-N 2.96Å; L950-N954 PolarHBondContact O-ND2 3.47Å
951P93.8Very high91.9Very high74 Ų7457.1 Ų57.148%0.48128%0.281SS..Hα-helixtrans-63.2-41.9174.8-23.336.1000113.9M886 L948 R955M886-P951 HydrophobicContact CE-CG 4.25Å; L948-P951 WeakPolarHBondContact O-CD 3.42Å; P951-R955 PolarHBondContact O-N 3.23Å; P951-R955 VanDerWaalsContact O-N 3.1Å
952L93.8Very high91.8Very high10 Ų1053.6 Ų53.65%0.05227%0.269CS..Hα-helixtrans-72.2-42.2177.2-57.8179.5000111L878 D882 F883 M886 W949 N954 R955 L956L878-L952 HydrophobicContact CD1-CB 4.28Å; L878-L952 HydrophobicContact CD1-CD2 3.91Å; D882-L952 HydrophobicContact CB-CD1 4.18Å; D882-L952 HydrophobicContact CB-CD2 4.33Å; F883-L952 HydrophobicContact CB-CD1 4.31Å; F883-L952 HydrophobicContact CD1-CB 4.49Å; F883-L952 HydrophobicContact CD1-CD1 3.81Å; F883-L952 HydrophobicContact CD2-CD1 4.05Å; F883-L952 HydrophobicContact CE1-CB 3.92Å; F883-L952 HydrophobicContact CE1-CD1 4.07Å; F883-L952 HydrophobicContact CE2-CB 4.45Å; F883-L952 HydrophobicContact CE2-CD1 4.28Å; F883-L952 HydrophobicContact CG-CD1 3.79Å; F883-L952 HydrophobicContact CZ-CB 3.89Å; F883-L952 HydrophobicContact CZ-CD1 4.29Å; M886-L952 HydrophobicContact CG-CD1 4.29Å; M886-L952 HydrophobicContact SD-CD1 3.63Å; M886-L952 HydrophobicContact SD-CD2 4.17Å; M886-L952 HydrophobicContact SD-CG 3.61Å; W949-L952 PolarHBondContact O-N 3.17Å; L952-N954 PolarHBondContact O-N 3.25Å; L952-R955 WeakPolarHBondContact O-CB 3.48Å; L952-R955 PolarHBondContact O-N 3.14Å; L952-L956 PolarHBondContact O-N 2.69Å
953L91.7Very high91.9Very high4 Ų450.1 Ų50.12%0.02125%0.253CS..Hα-helixtrans-60.1-31.4175.4-64.9178.3000112.3F883 W949 L956 L988 V989 I992F883-L953 HydrophobicContact CE1-CD2 3.99Å; F883-L953 HydrophobicContact CZ-CD2 4.41Å; W949-L953 HydrophobicContact CB-CD1 4.2Å; W949-L953 HydrophobicContact CB-CG 4.15Å; W949-L953 WeakPolarHBondContact O-CG 3.5Å; W949-L953 PolarHBondContact O-N 3.42Å; L953-L956 HydrophobicContact CD2-CD1 4.3Å; L953-L988 HydrophobicContact CD1-CD2 4.29Å; L953-L988 HydrophobicContact CD2-CB 4.42Å; L953-V989 HydrophobicContact CD2-CG2 4.41Å; L953-I992 HydrophobicContact CB-CD1 3.58Å; L953-I992 HydrophobicContact CD1-CD1 4.21Å; L953-I992 HydrophobicContact CD2-CD1 3.62Å; L953-I992 HydrophobicContact CG-CD1 3.96Å
954N91.1Very high91.9Very high73 Ų7345.9 Ų45.939%0.3923%0.23SC..Hα-helixtrans-76.5-36.9170.8-75.6-37.8000112.9L950 L952 L956 R957L950-N954 WeakPolarHBondContact O-CB 3.45Å; L950-N954 VanDerWaalsContact O-CG 3.27Å; L950-N954 PolarHBondContact O-N 2.96Å; L950-N954 PolarHBondContact O-ND2 3.47Å; L952-N954 PolarHBondContact O-N 3.25Å; N954-L956 VanDerWaalsContact C-N 3.32Å; N954-L956 PolarHBondContact O-N 2.88Å; N954-R957 PolarHBondContact O-N 2.88Å
955R93.2Very high91.7Very high86 Ų8650.9 Ų50.933%0.32525%0.247SC..Hα-helixtrans-59.1-41.9172.7-74.8174.866.4-1705.5111.7D875 F877 L878 P951 L952 R957 V958 P959D875-R955 IonicContact OD1-NH2 2.58Å; D875-R955 PolarHBondContact OD1-NH2 3.32Å; D875-R955 VanDerWaalsContact OD1-NH2 3.09Å; D875-R955 IonicContact OD2-CZ 3.8Å; D875-R955 VanDerWaalsContact OD2-CZ 3.31Å; D875-R955 IonicContact OD2-NE 3.41Å; D875-R955 PolarHBondContact OD2-NE 2.99Å; D875-R955 IonicContact OD2-NH2 2.84Å; D875-R955 PolarHBondContact OD2-NH2 3.01Å; F877-R955 PolarHBondContact O-NH1 3.16Å; F877-R955 PolarHBondContact O-NH2 3.23Å; L878-R955 HydrophobicContact CD2-CB 3.77Å; P951-R955 PolarHBondContact O-N 3.23Å; P951-R955 VanDerWaalsContact O-N 3.1Å; L952-R955 WeakPolarHBondContact O-CB 3.48Å; L952-R955 PolarHBondContact O-N 3.14Å; R955-R957 PolarHBondContact O-N 2.82Å; R955-R957 VanDerWaalsContact O-N 3.15Å; R955-V958 PolarHBondContact O-N 2.94Å; R955-V958 VanDerWaalsContact O-N 3.08Å; R955-P959 WeakPolarHBondContact O-CD 3.33Å
956L91.6Very high91.4Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-54.8-32.3176-68.3175.4000113.1F848 L850 F855 L878 F883 L952 L953 N954 V958 I960 V989F848-L956 HydrophobicContact CZ-CD1 4.46Å; L850-L956 HydrophobicContact CD1-CD2 3.8Å; L850-L956 HydrophobicContact CD2-CD1 4.32Å; L850-L956 HydrophobicContact CD2-CD2 4.07Å; F855-L956 HydrophobicContact CB-CD2 4.43Å; F855-L956 HydrophobicContact CD1-CD2 3.64Å; F855-L956 HydrophobicContact CD2-CD2 3.73Å; F855-L956 HydrophobicContact CE1-CB 4.21Å; F855-L956 HydrophobicContact CE1-CD2 3.7Å; F855-L956 VanDerWaalsContact CE1-O 3.27Å; F855-L956 WeakPolarHBondContact CE1-O 3.44Å; F855-L956 HydrophobicContact CE2-CD2 3.81Å; F855-L956 HydrophobicContact CG-CD2 3.65Å; F855-L956 HydrophobicContact CZ-CB 4.38Å; F855-L956 HydrophobicContact CZ-CD2 3.78Å; L878-L956 HydrophobicContact CD2-CD2 3.69Å; L878-L956 HydrophobicContact CD2-CG 4.18Å; L878-L956 HydrophobicContact CG-CD2 4.28Å; F883-L956 HydrophobicContact CZ-CD1 4.25Å; L952-L956 PolarHBondContact O-N 2.69Å; L953-L956 HydrophobicContact CD2-CD1 4.3Å; N954-L956 VanDerWaalsContact C-N 3.32Å; N954-L956 PolarHBondContact O-N 2.88Å; L956-V958 VanDerWaalsContact C-N 3.31Å; L956-V958 PolarHBondContact O-N 3.49Å; L956-I960 WeakPolarHBondContact O-CD1 3.34Å; L956-I960 VanDerWaalsContact O-CG1 3.24Å; L956-I960 WeakPolarHBondContact O-CG1 3.17Å; L956-V989 HydrophobicContact CD1-CG1 4.35Å; L956-V989 HydrophobicContact CD1-CG2 4.19Å
957R89.7Confident91.1Very high93 Ų9350.5 Ų50.535%0.35125%0.249SC..Hα-helixtrans-68.8-29.4-179.7-63.6-175-176.3-175.73.8113.2N954 R955 I960 E961N954-R957 PolarHBondContact O-N 2.88Å; R955-R957 PolarHBondContact O-N 2.82Å; R955-R957 VanDerWaalsContact O-N 3.15Å; R957-I960 PolarHBondContact O-N 3.04Å; R957-E961 WeakPolarHBondContact O-CB 3.22Å; R957-E961 WeakPolarHBondContact O-CG 3.44Å; R957-E961 PolarHBondContact O-N 3.44Å
958V90Very high90.8Very high99 Ų9953.9 Ų53.960%0.625%0.253SS*.Hα-helixtrans-67-50-171.4177.80000111.7R955 L956 I960 Q962R955-V958 PolarHBondContact O-N 2.94Å; R955-V958 VanDerWaalsContact O-N 3.08Å; L956-V958 VanDerWaalsContact C-N 3.31Å; L956-V958 PolarHBondContact O-N 3.49Å; V958-I960 VanDerWaalsContact C-N 3.33Å; V958-I960 PolarHBondContact O-N 2.95Å; V958-Q962 VanDerWaalsContact O-CB 3.25Å; V958-Q962 WeakPolarHBondContact O-CB 3.44Å; V958-Q962 PolarHBondContact O-N 3.05Å
959P90.4Very high90.5Very high10 Ų1053.5 Ų53.57%0.06525%0.251CS..Hα-helixtrans-62.1-36.2172.8-26.737.9000113.7F855 V857 A873 D875 R955 Q962 A963F855-P959 HydrophobicContact CD1-CB 4.22Å; F855-P959 HydrophobicContact CD1-CG 3.89Å; F855-P959 HydrophobicContact CE1-CB 3.88Å; F855-P959 HydrophobicContact CE1-CG 3.89Å; V857-P959 HydrophobicContact CG2-CB 4.21Å; A873-P959 HydrophobicContact CB-CB 4.19Å; D875-P959 HydrophobicContact CB-CG 4.46Å; R955-P959 WeakPolarHBondContact O-CD 3.33Å; P959-Q962 PolarHBondContact O-N 3.41Å; P959-A963 WeakPolarHBondContact O-CB 3.21Å; P959-A963 PolarHBondContact O-N 3.18Å
960I90.9Very high90.3Very high2 Ų259.8 Ų59.81%0.0128%0.278CS..Hα-helixtrans-63.4-51.2178.4-58.9165.1000111.2F848 F855 V857 L956 R957 V958 Q962 A963 L964 L996 F997F848-I960 HydrophobicContact CD2-CD1 4.22Å; F848-I960 HydrophobicContact CE2-CD1 3.66Å; F848-I960 HydrophobicContact CE2-CG1 4.37Å; F855-I960 HydrophobicContact CE1-CG1 4.45Å; F855-I960 HydrophobicContact CZ-CD1 4.29Å; F855-I960 HydrophobicContact CZ-CG1 4.04Å; V857-I960 HydrophobicContact CG1-CG1 4.44Å; V857-I960 HydrophobicContact CG2-CG1 3.79Å; L956-I960 WeakPolarHBondContact O-CD1 3.34Å; L956-I960 VanDerWaalsContact O-CG1 3.24Å; L956-I960 WeakPolarHBondContact O-CG1 3.17Å; R957-I960 PolarHBondContact O-N 3.04Å; V958-I960 VanDerWaalsContact C-N 3.33Å; V958-I960 PolarHBondContact O-N 2.95Å; I960-Q962 PolarHBondContact O-N 2.89Å; I960-A963 PolarHBondContact O-N 3.25Å; I960-L964 HydrophobicContact CG2-CD1 4.07Å; I960-L964 WeakPolarHBondContact O-CB 3.23Å; I960-L964 WeakPolarHBondContact O-CG 3.4Å; I960-L964 PolarHBondContact O-N 2.67Å; I960-L964 VanDerWaalsContact O-N 3.07Å; I960-L996 HydrophobicContact CD1-CD1 3.78Å; I960-L996 HydrophobicContact CG2-CD1 4.35Å; I960-F997 HydrophobicContact CG2-CE2 4.32Å; I960-F997 HydrophobicContact CG2-CZ 3.64Å
961E90.8Very high90.1Very high101 Ų10158.5 Ų58.547%0.47228%0.275SS..Hα-helixtrans-65.7-28.4178.2-71.7179.3-164.300112.1R957 R965R957-E961 WeakPolarHBondContact O-CB 3.22Å; R957-E961 WeakPolarHBondContact O-CG 3.44Å; R957-E961 PolarHBondContact O-N 3.44Å; E961-R965 WeakPolarHBondContact O-CB 3.4Å; E961-R965 PolarHBondContact O-N 3.06Å
962Q89.3Confident89.8Confident43 Ų4359.6 Ų59.620%0.20128%0.284CS..Hα-helixtrans-73.3-50.8175.7-171.756.546.600111.6A873 V958 P959 I960 L964 R965 D966A873-Q962 HydrophobicContact CB-CB 4.16Å; A873-Q962 HydrophobicContact CB-CG 4.17Å; V958-Q962 VanDerWaalsContact O-CB 3.25Å; V958-Q962 WeakPolarHBondContact O-CB 3.44Å; V958-Q962 PolarHBondContact O-N 3.05Å; P959-Q962 PolarHBondContact O-N 3.41Å; I960-Q962 PolarHBondContact O-N 2.89Å; Q962-L964 PolarHBondContact O-N 2.91Å; Q962-R965 WeakPolarHBondContact O-CB 3.36Å; Q962-R965 PolarHBondContact O-N 2.77Å; Q962-R965 VanDerWaalsContact O-N 3.16Å; Q962-D966 PolarHBondContact NE2-OD1 2.88Å; Q962-D966 PolarHBondContact NE2-OD2 3.07Å; Q962-D966 WeakPolarHBondContact O-CB 3.35Å; Q962-D966 PolarHBondContact O-N 3.08Å
963A89.1Confident89.6Confident0 Ų062.6 Ų62.60%030%0.298CS..Hα-helixtrans-60.8-43178.800000112V857 V859 A871 A873 P959 I960 R965 D966 A967V857-A963 HydrophobicContact CB-CB 4.4Å; V857-A963 HydrophobicContact CG1-CB 4.04Å; V859-A963 HydrophobicContact CG2-CB 4.14Å; A871-A963 VanDerWaalsContact CB-O 3.31Å; A871-A963 WeakPolarHBondContact CB-O 3.44Å; A873-A963 HydrophobicContact CB-CB 4.17Å; P959-A963 WeakPolarHBondContact O-CB 3.21Å; P959-A963 PolarHBondContact O-N 3.18Å; I960-A963 PolarHBondContact O-N 3.25Å; A963-R965 VanDerWaalsContact C-N 3.35Å; A963-R965 PolarHBondContact O-N 3.33Å; A963-D966 PolarHBondContact O-N 3.18Å; A963-A967 VanDerWaalsContact O-CB 3.27Å; A963-A967 WeakPolarHBondContact O-CB 3.34Å; A963-A967 PolarHBondContact O-N 2.96Å
964L91.3Very high89.5Confident11 Ų1162.5 Ų62.56%0.05830%0.297CS..Hα-helixtrans-63.1-39175-71.8173.5000112.8L846 V859 I960 Q962 R968 L969 P971 I974 F997L846-L964 HydrophobicContact CD1-CD2 4.15Å; L846-L964 HydrophobicContact CD1-CG 4.41Å; V859-L964 HydrophobicContact CG2-CD2 4.32Å; I960-L964 HydrophobicContact CG2-CD1 4.07Å; I960-L964 WeakPolarHBondContact O-CB 3.23Å; I960-L964 WeakPolarHBondContact O-CG 3.4Å; I960-L964 PolarHBondContact O-N 2.67Å; I960-L964 VanDerWaalsContact O-N 3.07Å; Q962-L964 PolarHBondContact O-N 2.91Å; L964-R968 PolarHBondContact O-N 3.24Å; L964-R968 VanDerWaalsContact O-N 3.1Å; L964-L969 PolarHBondContact O-N 2.85Å; L964-P971 HydrophobicContact CD1-CB 4.44Å; L964-P971 HydrophobicContact CD1-CG 3.88Å; L964-I974 HydrophobicContact CD2-CD1 3.87Å; L964-I974 HydrophobicContact CD2-CG1 3.83Å; L964-F997 HydrophobicContact CD1-CE1 3.98Å; L964-F997 HydrophobicContact CD1-CZ 4.42Å; L964-F997 HydrophobicContact CD2-CE1 4.35Å
965R89.6Confident89.3Confident159 Ų15962.8 Ų62.860%0.630%0.299SS*.Hα-helixtrans-68.1-43.4178.2-176-171.9-50.3-1786.2111.8E961 Q962 A963 R968E961-R965 WeakPolarHBondContact O-CB 3.4Å; E961-R965 PolarHBondContact O-N 3.06Å; Q962-R965 WeakPolarHBondContact O-CB 3.36Å; Q962-R965 PolarHBondContact O-N 2.77Å; Q962-R965 VanDerWaalsContact O-N 3.16Å; A963-R965 VanDerWaalsContact C-N 3.35Å; A963-R965 PolarHBondContact O-N 3.33Å; R965-R968 WeakPolarHBondContact O-CA 3.35Å; R965-R968 PolarHBondContact O-N 3.15Å
966D84.7Confident88.9Confident45 Ų4559.5 Ų59.524%0.24129%0.289CS..Hα-helixtrans-69-40-180-68.8-14.6000110.8A871 Q962 A963 R968 R1060 N1061A871-D966 HydrophobicContact CB-CB 3.88Å; Q962-D966 PolarHBondContact NE2-OD1 2.88Å; Q962-D966 PolarHBondContact NE2-OD2 3.07Å; Q962-D966 WeakPolarHBondContact O-CB 3.35Å; Q962-D966 PolarHBondContact O-N 3.08Å; A963-D966 PolarHBondContact O-N 3.18Å; D966-R968 PolarHBondContact O-N 3.48Å; D966-R1060 IonicContact OD2-NE 2.54Å; D966-R1060 IonicContact OD2-NH2 3.66Å; D966-N1061 HydrophobicContact CB-CB 4.46Å; D966-N1061 WeakPolarHBondContact CB-ND2 3.21Å; D966-N1061 PolarHBondContact OD2-ND2 2.9Å
967A85.1Confident88.8Confident15 Ų1559.6 Ų59.612%0.12429%0.29CS..THydrogen-bonded Turntrans-68.9-6.6169.100000114.1V859 H870 A871 A963 L969V859-A967 HydrophobicContact CB-CB 4.05Å; V859-A967 HydrophobicContact CG1-CB 3.89Å; V859-A967 HydrophobicContact CG2-CB 4.34Å; H870-A967 HydrophobicContact CB-CB 3.81Å; A871-A967 HydrophobicContact CB-CB 3.92Å; A963-A967 VanDerWaalsContact O-CB 3.27Å; A963-A967 WeakPolarHBondContact O-CB 3.34Å; A963-A967 PolarHBondContact O-N 2.96Å; A967-L969 HydrophobicContact CB-CD1 4.26Å; A967-L969 HydrophobicContact CB-CG 4.41Å; A967-L969 PolarHBondContact O-N 2.78Å
968R88.1Confident88.8Confident187 Ų18755.4 Ų55.471%0.70627%0.274SS*.THydrogen-bonded Turntrans56.929.6-175.6-51-176.9-177.3-176.24.9114.6L964 R965 D966 E1219L964-R968 PolarHBondContact O-N 3.24Å; L964-R968 VanDerWaalsContact O-N 3.1Å; R965-R968 WeakPolarHBondContact O-CA 3.35Å; R965-R968 PolarHBondContact O-N 3.15Å; D966-R968 PolarHBondContact O-N 3.48Å; R968-E1219 IonicContact NH1-OE2 3.31Å; R968-E1219 PolarHBondContact NH1-OE2 2.62Å; R968-E1219 VanDerWaalsContact NH1-OE2 3.14Å
969L88.4Confident88.8Confident23 Ų2351.2 Ų51.212%0.1225%0.248CC..  trans-110.1147.2-177.8-69.5172.1000112.5V859 L964 A967 Q973 I974V859-L969 HydrophobicContact CG1-CD1 3.88Å; L964-L969 PolarHBondContact O-N 2.85Å; A967-L969 HydrophobicContact CB-CD1 4.26Å; A967-L969 HydrophobicContact CB-CG 4.41Å; A967-L969 PolarHBondContact O-N 2.78Å; L969-Q973 HydrophobicContact CD2-CB 4.03Å; L969-I974 HydrophobicContact CD1-CD1 4.21Å
970K90.1Very high88.9Confident141 Ų14150.8 Ų50.861%0.61325%0.246SC*.  trans-86.4152.3168-62.2175.1-176.5174.20109.9S972 Q973K970-S972 PolarHBondContact O-N 3.04Å; K970-Q973 HydrophobicContact CB-CG 4.34Å; K970-Q973 WeakPolarHBondContact O-CB 3.48Å; K970-Q973 PolarHBondContact O-N 3.48Å
971P88.8Confident88.8Confident52 Ų5251.2 Ų51.234%0.33825%0.251SS..G310 helixtrans-51.7-33.7176.3-2530.1000114.1L964 Q973 I974 L996 F997L964-P971 HydrophobicContact CD1-CB 4.44Å; L964-P971 HydrophobicContact CD1-CG 3.88Å; P971-Q973 PolarHBondContact O-N 3.26Å; P971-I974 PolarHBondContact O-N 3.44Å; P971-L996 WeakPolarHBondContact CB-O 3.34Å; P971-F997 HydrophobicContact CB-CD1 3.97Å; P971-F997 HydrophobicContact CB-CE1 4.27Å
972S87.6Confident88.6Confident97 Ų9748.5 Ų48.568%0.67825%0.25SC*.G310 helixtrans-71.9-6.717864.80000115.2K970K970-S972 PolarHBondContact O-N 3.04Å
973Q89.7Confident88.6Confident74 Ų7446.9 Ų46.935%0.34624%0.244SC..G310 helixtrans-101.52.3177.6-61.5174.9-97.200112.6L969 K970 P971L969-Q973 HydrophobicContact CD2-CB 4.03Å; K970-Q973 HydrophobicContact CB-CG 4.34Å; K970-Q973 WeakPolarHBondContact O-CB 3.48Å; K970-Q973 PolarHBondContact O-N 3.48Å; P971-Q973 PolarHBondContact O-N 3.26Å
974I89.3Confident88.7Confident2 Ų246.9 Ų46.91%0.0124%0.244CC..  trans-85.9122.4170.6-58.6-56.8000107.7L846 V859 L964 L969 P971 S976 F997 K999L846-I974 HydrophobicContact CB-CG2 3.81Å; V859-I974 HydrophobicContact CG1-CD1 4.01Å; L964-I974 HydrophobicContact CD2-CD1 3.87Å; L964-I974 HydrophobicContact CD2-CG1 3.83Å; L969-I974 HydrophobicContact CD1-CD1 4.21Å; P971-I974 PolarHBondContact O-N 3.44Å; I974-S976 WeakPolarHBondContact CG2-O 3.22Å; I974-F997 HydrophobicContact CB-CD1 4.33Å; I974-F997 HydrophobicContact CG1-CD1 4.27Å; I974-F997 HydrophobicContact CG1-CE1 4.19Å; I974-K999 WeakPolarHBondContact O-CE 3.41Å; I974-K999 PolarHBondContact O-NZ 2.89Å
975D86.7Confident88.5Confident78 Ų7849.7 Ų49.742%0.41726%0.256SS..  trans-78.5-46.9-177-64.6-51000112.3T843 R844 K999T843-D975 HydrophobicContact CG2-CB 4.33Å; R844-D975 PolarHBondContact N-OD2 3.38Å; R844-D975 WeakPolarHBondContact O-CA 3.35Å; R844-D975 WeakPolarHBondContact O-CB 3.29Å; R844-D975 PolarHBondContact O-N 2.87Å; D975-K999 WeakPolarHBondContact O-CD 3.18Å; D975-K999 PolarHBondContact O-NZ 3.27Å
976S86.5Confident88.5Confident18 Ų1842.6 Ų42.613%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-133.3158.7178.271.60000113.2Y835 R844 S845 L846 I974Y835-S976 VanDerWaalsContact OH-CB 3.29Å; Y835-S976 WeakPolarHBondContact OH-CB 3.43Å; Y835-S976 PolarHBondContact OH-OG 3.49Å; Y835-S976 VanDerWaalsContact OH-OG 3.04Å; R844-S976 PolarHBondContact O-N 3.25Å; S845-S976 WeakPolarHBondContact CA-O 3.34Å; S845-S976 WeakPolarHBondContact CB-OG 3.34Å; S845-S976 PolarHBondContact OG-OG 3.49Å; L846-S976 PolarHBondContact N-O 2.98Å; I974-S976 WeakPolarHBondContact CG2-O 3.22Å
977L89.1Confident88.6Confident2 Ų243.1 Ų43.11%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-125.4119.8179.4172.272.8000108.4L846 F848 L979 A993 F997 P1001 Y1002L846-L977 HydrophobicContact CB-CD1 4.44Å; L846-L977 HydrophobicContact CD2-CD1 3.52Å; L846-L977 WeakPolarHBondContact O-CA 3.37Å; F848-L977 HydrophobicContact CB-CD1 4.17Å; L977-L979 HydrophobicContact CD1-CD2 4.42Å; L977-L979 HydrophobicContact CD2-CD2 4.22Å; L977-L979 HydrophobicContact CG-CD2 4.18Å; L977-A993 HydrophobicContact CD2-CB 3.77Å; L977-F997 HydrophobicContact CD1-CD2 4.15Å; L977-F997 HydrophobicContact CD1-CE2 4.17Å; L977-F997 HydrophobicContact CD2-CD2 4.32Å; L977-P1001 HydrophobicContact CD2-CB 3.77Å; L977-P1001 HydrophobicContact CD2-CG 3.8Å; L977-P1001 HydrophobicContact CG-CB 4.09Å; L977-P1001 WeakPolarHBondContact O-CA 3.32Å; L977-Y1002 PolarHBondContact O-N 2.88Å
978V89.2Confident88.8Confident4 Ų442.8 Ų42.82%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-106.3121.4178.9-177.40000107.9Y835 L846 V847 F848 V980 I1010Y835-V978 HydrophobicContact CD1-CG2 4.39Å; Y835-V978 HydrophobicContact CD2-CG2 3.77Å; Y835-V978 HydrophobicContact CE2-CG2 4.05Å; Y835-V978 HydrophobicContact CG-CG2 3.95Å; L846-V978 PolarHBondContact O-N 3.46Å; V847-V978 WeakPolarHBondContact CA-O 3.37Å; V847-V978 HydrophobicContact CG2-CB 4.41Å; F848-V978 PolarHBondContact N-O 3.1Å; V978-V980 HydrophobicContact CG1-CG2 4.21Å; V978-I1010 HydrophobicContact CG1-CD1 3.92Å
979L90.8Very high88.9Confident11 Ų1134 Ų346%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-92.9137.8174.2-59.3-172.5000110.2F848 L977 Q990 P1001 P1007F848-L979 HydrophobicContact CB-CD2 3.87Å; F848-L979 HydrophobicContact CD1-CD2 4.08Å; F848-L979 HydrophobicContact CG-CD2 4.09Å; L977-L979 HydrophobicContact CD1-CD2 4.42Å; L977-L979 HydrophobicContact CD2-CD2 4.22Å; L977-L979 HydrophobicContact CG-CD2 4.18Å; L979-Q990 HydrophobicContact CD1-CG 4.06Å; L979-P1001 HydrophobicContact CD1-CB 3.77Å; L979-P1001 HydrophobicContact CD1-CG 3.73Å; L979-P1001 HydrophobicContact CD2-CB 4.15Å; L979-P1001 HydrophobicContact CD2-CG 4.39Å; L979-P1001 HydrophobicContact CG-CB 3.58Å; L979-P1001 HydrophobicContact CG-CG 4.04Å; L979-P1007 HydrophobicContact CB-CB 4.46Å; L979-P1007 HydrophobicContact CB-CG 4.14Å; L979-P1007 WeakPolarHBondContact O-CB 3.45Å
980V91.3Very high88.9Confident1 Ų135.9 Ų35.91%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-135149.5179.4-171.10000108.8A831 V847 F848 D849 L850 V978 S984 I1010 V1011A831-V980 HydrophobicContact CB-CG1 4.27Å; A831-V980 HydrophobicContact CB-CG2 3.45Å; A831-V980 VanDerWaalsContact CB-CG2 3.45Å; V847-V980 HydrophobicContact CG1-CG2 3.52Å; F848-V980 PolarHBondContact O-N 2.91Å; D849-V980 WeakPolarHBondContact CA-O 3.46Å; D849-V980 HydrophobicContact CB-CB 3.88Å; D849-V980 HydrophobicContact CB-CG1 4.29Å; D849-V980 VanDerWaalsContact CG-CG1 3.47Å; D849-V980 VanDerWaalsContact OD2-CG1 3.26Å; D849-V980 WeakPolarHBondContact OD2-CG1 3.34Å; L850-V980 PolarHBondContact N-O 3.22Å; V978-V980 HydrophobicContact CG1-CG2 4.21Å; V980-S984 WeakPolarHBondContact O-CB 3.49Å; V980-S984 PolarHBondContact O-OG 2.83Å; V980-I1010 HydrophobicContact CB-CG2 4.38Å; V980-I1010 HydrophobicContact CG1-CG2 3.9Å; V980-I1010 HydrophobicContact CG2-CG2 3.99Å; V980-V1011 HydrophobicContact CG1-CG2 3.35Å
981G88.5Confident88.7Confident12 Ų1232.5 Ų32.512%0.12419%0.191CC..SBendtrans79141.5-178.800000113.3L850 A983 S984 P1007L850-G981 CarbonylContact O-C 3.5Å; L850-G981 VanDerWaalsContact O-C 3.32Å; L850-G981 WeakPolarHBondContact O-CA 3.36Å; G981-A983 VanDerWaalsContact C-N 3.28Å; G981-A983 PolarHBondContact O-N 3.05Å; G981-S984 WeakPolarHBondContact O-CB 3.45Å; G981-S984 PolarHBondContact O-N 2.69Å; G981-S984 VanDerWaalsContact O-N 3.13Å; G981-S984 PolarHBondContact O-OG 3.5Å; G981-P1007 PolarHBondContact N-O 2.89Å
982G86.4Confident88.6Confident43 Ų4330.4 Ų30.444%0.44318%0.177SC..G310 helixtrans-61.8-27.8-172.900000115.1S984 Q985G982-S984 VanDerWaalsContact C-N 3.31Å; G982-S984 PolarHBondContact O-N 2.78Å; G982-Q985 WeakPolarHBondContact O-CB 3.26Å; G982-Q985 WeakPolarHBondContact O-CG 3.31Å; G982-Q985 PolarHBondContact O-N 2.97Å
983A90.6Very high88.4Confident9 Ų925.8 Ų25.87%0.07415%0.145CC..G310 helixtrans-77.8-15.7179.700000113.2L850 G981 Q985 M986L850-A983 HydrophobicContact CD2-CB 4.14Å; L850-A983 HydrophobicContact CG-CB 3.91Å; L850-A983 WeakPolarHBondContact O-CB 3.35Å; L850-A983 PolarHBondContact O-N 3.02Å; L850-A983 VanDerWaalsContact O-N 3.15Å; G981-A983 VanDerWaalsContact C-N 3.28Å; G981-A983 PolarHBondContact O-N 3.05Å; A983-Q985 PolarHBondContact O-N 3.44Å; A983-M986 HydrophobicContact CB-SD 4.49Å; A983-M986 WeakPolarHBondContact O-CG 3.39Å; A983-M986 PolarHBondContact O-N 3.4Å
984S90.1Very high88.3Confident0 Ų024.7 Ų24.70%014%0.143CC..G310 helixtrans-61.6-20.9167.173.30000112.9L850 V980 G981 G982 M986 Q990L850-S984 PolarHBondContact O-N 3.46Å; V980-S984 WeakPolarHBondContact O-CB 3.49Å; V980-S984 PolarHBondContact O-OG 2.83Å; G981-S984 WeakPolarHBondContact O-CB 3.45Å; G981-S984 PolarHBondContact O-N 2.69Å; G981-S984 VanDerWaalsContact O-N 3.13Å; G981-S984 PolarHBondContact O-OG 3.5Å; G982-S984 VanDerWaalsContact C-N 3.31Å; G982-S984 PolarHBondContact O-N 2.78Å; S984-M986 VanDerWaalsContact C-N 3.27Å; S984-M986 PolarHBondContact O-N 2.69Å; S984-Q990 VanDerWaalsContact O-CG 3.32Å; S984-Q990 WeakPolarHBondContact O-CG 3.4Å
985Q87.4Confident88.2Confident70 Ų7032 Ų3233%0.32717%0.17SC..G310 helixtrans-75.5-10.6180-55.7-166.135.100114G982 A983 Q990 D1006 P1007 S1008G982-Q985 WeakPolarHBondContact O-CB 3.26Å; G982-Q985 WeakPolarHBondContact O-CG 3.31Å; G982-Q985 PolarHBondContact O-N 2.97Å; A983-Q985 PolarHBondContact O-N 3.44Å; Q985-Q990 PolarHBondContact O-NE2 3.08Å; Q985-D1006 PolarHBondContact NE2-OD1 2.84Å; Q985-P1007 HydrophobicContact CG-CB 4.48Å; Q985-P1007 HydrophobicContact CG-CG 4.27Å; Q985-S1008 PolarHBondContact NE2-OG 2.84Å
986M89.2Confident88.1Confident10 Ų1030.7 Ų30.75%0.04916%0.163CC..SBendtrans-63.3129.1179.1-69175.963.200110.9F883 K918 W949 A983 S984 L988 V989 Q990F883-M986 HydrophobicContact CB-CE 4.15Å; F883-M986 HydrophobicContact CB-SD 4.47Å; F883-M986 HydrophobicContact CD1-CE 3.72Å; F883-M986 HydrophobicContact CD1-SD 4.38Å; F883-M986 HydrophobicContact CD2-SD 4.43Å; F883-M986 HydrophobicContact CE1-CE 4.33Å; F883-M986 HydrophobicContact CG-CE 3.97Å; F883-M986 HydrophobicContact CG-SD 4.18Å; K918-M986 HydrophobicContact CD-CE 4.28Å; K918-M986 HydrophobicContact CD-SD 4.17Å; K918-M986 HydrophobicContact CG-CE 4.19Å; K918-M986 HydrophobicContact CG-SD 4.43Å; W949-M986 HydrophobicContact CD2-CE 4.39Å; W949-M986 HydrophobicContact CE3-CE 3.86Å; W949-M986 HydrophobicContact CH2-CE 3.51Å; W949-M986 HydrophobicContact CZ2-CE 4.05Å; W949-M986 HydrophobicContact CZ3-CE 3.4Å; A983-M986 HydrophobicContact CB-SD 4.49Å; A983-M986 WeakPolarHBondContact O-CG 3.39Å; A983-M986 PolarHBondContact O-N 3.4Å; S984-M986 VanDerWaalsContact C-N 3.27Å; S984-M986 PolarHBondContact O-N 2.69Å; M986-L988 PolarHBondContact O-N 2.62Å; M986-L988 VanDerWaalsContact O-N 3.1Å; M986-V989 HydrophobicContact CB-CB 4.27Å; M986-V989 HydrophobicContact CB-CG2 3.94Å; M986-V989 WeakPolarHBondContact O-CB 3.48Å; M986-V989 PolarHBondContact O-N 2.99Å; M986-Q990 PolarHBondContact O-N 2.97Å
987P87.7Confident88Confident56 Ų5630.4 Ų30.436%0.36416%0.159SC..Hα-helixtrans-54-36.3-176.3-30.634.8000114.6N921 R991N921-P987 HydrophobicContact CB-CG 4.46Å; N921-P987 WeakPolarHBondContact OD1-CD 3.37Å; P987-R991 WeakPolarHBondContact O-CB 3.26Å; P987-R991 WeakPolarHBondContact O-CG 3.34Å; P987-R991 PolarHBondContact O-N 2.84Å
988L89Confident87.6Confident8 Ų833.5 Ų33.54%0.04219%0.192CC..Hα-helixtrans-65-39.3175.5-86.2162.7000113L945 E946 W949 L953 M986 I992L945-L988 HydrophobicContact CB-CD1 3.96Å; E946-L988 HydrophobicContact CB-CD1 4.33Å; E946-L988 HydrophobicContact CB-CD2 3.65Å; E946-L988 HydrophobicContact CG-CD2 3.55Å; W949-L988 HydrophobicContact CE3-CD1 3.64Å; W949-L988 HydrophobicContact CZ3-CD1 3.95Å; L953-L988 HydrophobicContact CD1-CD2 4.29Å; L953-L988 HydrophobicContact CD2-CB 4.42Å; M986-L988 PolarHBondContact O-N 2.62Å; M986-L988 VanDerWaalsContact O-N 3.1Å; L988-I992 PolarHBondContact O-N 2.92Å
989V89.7Confident87.2Confident2 Ų236.9 Ų36.91%0.01221%0.207CC..Hα-helixtrans-69.4-47.6177.8178.10000110.2F848 L850 F883 L953 L956 M986 R991 I992 A993F848-V989 HydrophobicContact CE1-CG1 3.51Å; F848-V989 HydrophobicContact CZ-CG1 3.58Å; L850-V989 HydrophobicContact CD2-CG1 3.88Å; L850-V989 HydrophobicContact CD2-CG2 3.96Å; F883-V989 HydrophobicContact CZ-CG2 4.36Å; L953-V989 HydrophobicContact CD2-CG2 4.41Å; L956-V989 HydrophobicContact CD1-CG1 4.35Å; L956-V989 HydrophobicContact CD1-CG2 4.19Å; M986-V989 HydrophobicContact CB-CB 4.27Å; M986-V989 HydrophobicContact CB-CG2 3.94Å; M986-V989 WeakPolarHBondContact O-CB 3.48Å; M986-V989 PolarHBondContact O-N 2.99Å; V989-R991 VanDerWaalsContact C-N 3.31Å; V989-R991 PolarHBondContact O-N 3.15Å; V989-I992 PolarHBondContact O-N 2.93Å; V989-I992 VanDerWaalsContact O-N 3.08Å; V989-A993 PolarHBondContact O-N 2.84Å; V989-A993 VanDerWaalsContact O-N 3.08Å
990Q88.2Confident86.8Confident63 Ų6343.2 Ų43.229%0.29424%0.24SC..Hα-helixtrans-57.9-42.1175.1-64.5-167.311.700112L979 S984 Q985 M986 I992 A993 V994L979-Q990 HydrophobicContact CD1-CG 4.06Å; S984-Q990 VanDerWaalsContact O-CG 3.32Å; S984-Q990 WeakPolarHBondContact O-CG 3.4Å; Q985-Q990 PolarHBondContact O-NE2 3.08Å; M986-Q990 PolarHBondContact O-N 2.97Å; Q990-I992 VanDerWaalsContact C-N 3.31Å; Q990-I992 PolarHBondContact O-N 3.07Å; Q990-A993 PolarHBondContact O-N 2.88Å; Q990-V994 WeakPolarHBondContact O-CG2 3.28Å; Q990-V994 PolarHBondContact O-N 3.49Å
991R87.6Confident86.4Confident71 Ų7143.7 Ų43.727%0.26824%0.243SC..Hα-helixtrans-62.9-33.2176.3-76.9-170.3-58.3-172.22.3113.1E942 E946 P987 V989 R995E942-R991 VanDerWaalsContact CD-CZ 3.41Å; E942-R991 IonicContact OE1-CZ 2.65Å; E942-R991 IonicContact OE1-NE 3.8Å; E942-R991 IonicContact OE1-NH1 3.92Å; E942-R991 PolarHBondContact OE1-NH1 2.65Å; E942-R991 IonicContact OE1-NH2 2.87Å; E942-R991 PolarHBondContact OE1-NH2 3.37Å; E942-R991 IonicContact OE2-CZ 3.69Å; E942-R991 IonicContact OE2-NH1 3.14Å; E942-R991 PolarHBondContact OE2-NH1 3.24Å; E942-R991 IonicContact OE2-NH2 2.76Å; E942-R991 PolarHBondContact OE2-NH2 3.05Å; E946-R991 IonicContact OE2-NH2 3.53Å; P987-R991 WeakPolarHBondContact O-CB 3.26Å; P987-R991 WeakPolarHBondContact O-CG 3.34Å; P987-R991 PolarHBondContact O-N 2.84Å; V989-R991 VanDerWaalsContact C-N 3.31Å; V989-R991 PolarHBondContact O-N 3.15Å; R991-R995 VanDerWaalsContact O-CB 3.22Å; R991-R995 WeakPolarHBondContact O-CB 3.49Å; R991-R995 WeakPolarHBondContact O-CG 3.28Å; R991-R995 PolarHBondContact O-N 3.39Å
992I86Confident85.7Confident7 Ų747.2 Ų47.24%0.03625%0.253CS..Hα-helixtrans-68.5-47.6174.1-71.5178.4000110.9L953 L988 V989 Q990 V994 R995 L996L953-I992 HydrophobicContact CB-CD1 3.58Å; L953-I992 HydrophobicContact CD1-CD1 4.21Å; L953-I992 HydrophobicContact CD2-CD1 3.62Å; L953-I992 HydrophobicContact CG-CD1 3.96Å; L988-I992 PolarHBondContact O-N 2.92Å; V989-I992 PolarHBondContact O-N 2.93Å; V989-I992 VanDerWaalsContact O-N 3.08Å; Q990-I992 VanDerWaalsContact C-N 3.31Å; Q990-I992 PolarHBondContact O-N 3.07Å; I992-V994 PolarHBondContact O-N 3.06Å; I992-R995 PolarHBondContact O-N 3.3Å; I992-L996 HydrophobicContact CG2-CD1 3.69Å; I992-L996 HydrophobicContact CG2-CG 4.23Å; I992-L996 WeakPolarHBondContact O-CB 3.4Å; I992-L996 WeakPolarHBondContact O-CG 3.27Å; I992-L996 PolarHBondContact O-N 3.45Å
993A84.4Confident84.9Confident1 Ų152.7 Ų52.71%0.00827%0.267CS..Hα-helixtrans-55.9-50.1175.500000111.8L977 V989 Q990 R995 L996 F997L977-A993 HydrophobicContact CD2-CB 3.77Å; V989-A993 PolarHBondContact O-N 2.84Å; V989-A993 VanDerWaalsContact O-N 3.08Å; Q990-A993 PolarHBondContact O-N 2.88Å; A993-R995 PolarHBondContact O-N 2.92Å; A993-L996 PolarHBondContact O-N 3.22Å; A993-F997 VanDerWaalsContact O-CD2 3.23Å; A993-F997 WeakPolarHBondContact O-CD2 3.28Å; A993-F997 PolarHBondContact O-N 3.4Å
994V86.9Confident84.1Confident50 Ų5056.2 Ų56.230%0.30329%0.291SS..Hα-helixtrans-62-40.7176.8176.80000112Q990 I992 L996 G998 L1000Q990-V994 WeakPolarHBondContact O-CG2 3.28Å; Q990-V994 PolarHBondContact O-N 3.49Å; I992-V994 PolarHBondContact O-N 3.06Å; V994-L996 PolarHBondContact O-N 3.04Å; V994-G998 VanDerWaalsContact O-CA 3.3Å; V994-G998 WeakPolarHBondContact O-CA 3.36Å; V994-G998 PolarHBondContact O-N 2.87Å; V994-L1000 HydrophobicContact CG2-CD2 4.21Å
995R86.9Confident83.6Confident155 Ų15559 Ų5959%0.58530%0.302SS*.Hα-helixtrans-65.2-33.6176.3-78.5171.4179.7168.11.6112.9E946 R991 I992 A993E946-R995 IonicContact OE1-CZ 2.76Å; E946-R995 IonicContact OE1-NH1 3.38Å; E946-R995 PolarHBondContact OE1-NH1 3.47Å; E946-R995 IonicContact OE1-NH2 3.96Å; R991-R995 VanDerWaalsContact O-CB 3.22Å; R991-R995 WeakPolarHBondContact O-CB 3.49Å; R991-R995 WeakPolarHBondContact O-CG 3.28Å; R991-R995 PolarHBondContact O-N 3.39Å; I992-R995 PolarHBondContact O-N 3.3Å; A993-R995 PolarHBondContact O-N 2.92Å
996L83.8Confident83.6Confident51 Ų5159.1 Ų59.127%0.26731%0.305SS..Hα-helixtrans-79.7-43-178.7-72.9172.7000112.8I960 P971 I992 A993 V994I960-L996 HydrophobicContact CD1-CD1 3.78Å; I960-L996 HydrophobicContact CG2-CD1 4.35Å; P971-L996 WeakPolarHBondContact CB-O 3.34Å; I992-L996 HydrophobicContact CG2-CD1 3.69Å; I992-L996 HydrophobicContact CG2-CG 4.23Å; I992-L996 WeakPolarHBondContact O-CB 3.4Å; I992-L996 WeakPolarHBondContact O-CG 3.27Å; I992-L996 PolarHBondContact O-N 3.45Å; A993-L996 PolarHBondContact O-N 3.22Å; V994-L996 PolarHBondContact O-N 3.04Å
997F84.3Confident83.5Confident12 Ų1259.7 Ų59.75%0.05331%0.31CS..Hα-helixtrans-98.9-16.6-174-61.2-69.3000114.2L846 I960 L964 P971 I974 L977 A993 K999L846-F997 HydrophobicContact CD1-CE1 3.77Å; L846-F997 HydrophobicContact CD1-CE2 4.38Å; L846-F997 HydrophobicContact CD1-CZ 3.44Å; L846-F997 VanDerWaalsContact CD1-CZ 3.44Å; L846-F997 HydrophobicContact CD2-CE2 4.08Å; L846-F997 HydrophobicContact CD2-CZ 3.94Å; L846-F997 HydrophobicContact CG-CZ 4.25Å; I960-F997 HydrophobicContact CG2-CE2 4.32Å; I960-F997 HydrophobicContact CG2-CZ 3.64Å; L964-F997 HydrophobicContact CD1-CE1 3.98Å; L964-F997 HydrophobicContact CD1-CZ 4.42Å; L964-F997 HydrophobicContact CD2-CE1 4.35Å; P971-F997 HydrophobicContact CB-CD1 3.97Å; P971-F997 HydrophobicContact CB-CE1 4.27Å; I974-F997 HydrophobicContact CB-CD1 4.33Å; I974-F997 HydrophobicContact CG1-CD1 4.27Å; I974-F997 HydrophobicContact CG1-CE1 4.19Å; L977-F997 HydrophobicContact CD1-CD2 4.15Å; L977-F997 HydrophobicContact CD1-CE2 4.17Å; L977-F997 HydrophobicContact CD2-CD2 4.32Å; A993-F997 VanDerWaalsContact O-CD2 3.23Å; A993-F997 WeakPolarHBondContact O-CD2 3.28Å; A993-F997 PolarHBondContact O-N 3.4Å; F997-K999 PolarHBondContact O-N 3.07Å
998G80.8Confident83.6Confident68 Ų6858.2 Ų58.270%0.70130%0.301SS*.SBendtrans68.216-175.600000114V994V994-G998 VanDerWaalsContact O-CA 3.3Å; V994-G998 WeakPolarHBondContact O-CA 3.36Å; V994-G998 PolarHBondContact O-N 2.87Å
999K81Confident83.7Confident75 Ų7558.6 Ų58.633%0.32630%0.303SS..SBendtrans-129.8149.3-174.9-68.8-175.9172.5-175.30110.8I974 D975 F997I974-K999 WeakPolarHBondContact O-CE 3.41Å; I974-K999 PolarHBondContact O-NZ 2.89Å; D975-K999 WeakPolarHBondContact O-CD 3.18Å; D975-K999 PolarHBondContact O-NZ 3.27Å; F997-K999 PolarHBondContact O-N 3.07Å
1000L83.7Confident83.8Confident144 Ų14458.7 Ų58.775%0.75430%0.303SS*.PPolyproline II helixtrans-75.9141.5169.7-66.1176000109.4V994V994-L1000 HydrophobicContact CG2-CD2 4.21Å
1001P82.4Confident84.1Confident11 Ų1156 Ų567%0.07129%0.291CS..PPolyproline II helixtrans-67.4154.8172.1-2.815.9000111.7L977 L979L977-P1001 HydrophobicContact CD2-CB 3.77Å; L977-P1001 HydrophobicContact CD2-CG 3.8Å; L977-P1001 HydrophobicContact CG-CB 4.09Å; L977-P1001 WeakPolarHBondContact O-CA 3.32Å; L979-P1001 HydrophobicContact CD1-CB 3.77Å; L979-P1001 HydrophobicContact CD1-CG 3.73Å; L979-P1001 HydrophobicContact CD2-CB 4.15Å; L979-P1001 HydrophobicContact CD2-CG 4.39Å; L979-P1001 HydrophobicContact CG-CB 3.58Å; L979-P1001 HydrophobicContact CG-CG 4.04Å
1002Y74.5Confident84.5Confident85 Ų8552.6 Ų52.633%0.33328%0.278SS..BIsolated β-bridgetrans-71.1138175.5-166-109.9000111Y835 L977 S1004 Y1005Y835-Y1002 AromaticContact CD2-CD1 3.47Å; Y835-Y1002 HydrophobicContact CD2-CD1 3.47Å; Y835-Y1002 VanDerWaalsContact CD2-CD1 3.47Å; Y835-Y1002 AromaticContact CD2-CE1 3.49Å; Y835-Y1002 HydrophobicContact CD2-CE1 3.49Å; Y835-Y1002 VanDerWaalsContact CD2-CE1 3.49Å; Y835-Y1002 HydrophobicContact CD2-CG 4.08Å; Y835-Y1002 AromaticContact CE2-CD1 3.36Å; Y835-Y1002 HydrophobicContact CE2-CD1 3.36Å; Y835-Y1002 AromaticContact CE2-CD2 3.8Å; Y835-Y1002 HydrophobicContact CE2-CD2 3.8Å; Y835-Y1002 AromaticContact CE2-CE1 3.45Å; Y835-Y1002 HydrophobicContact CE2-CE1 3.45Å; Y835-Y1002 VanDerWaalsContact CE2-CE1 3.45Å; Y835-Y1002 AromaticContact CE2-CE2 3.93Å; Y835-Y1002 HydrophobicContact CE2-CE2 3.93Å; Y835-Y1002 AromaticContact CE2-CG 3.5Å; Y835-Y1002 HydrophobicContact CE2-CG 3.5Å; Y835-Y1002 AromaticContact CE2-CZ 3.75Å; L977-Y1002 PolarHBondContact O-N 2.88Å; Y1002-S1004 WeakPolarHBondContact CE1-OG 3.33Å; Y1002-S1004 PolarHBondContact OH-OG 2.78Å; Y1002-Y1005 HydrophobicContact CE1-CD2 4.4Å
1003Q69.6Low84.8Confident159 Ų15953.2 Ų53.274%0.74328%0.282SS*.  trans-120.95.2-170-65.7-169.6-19.300114.7Y1005Q1003-Y1005 PolarHBondContact O-N 2.7Å
1004S73.5Confident85.2Confident82 Ų8253.1 Ų53.157%0.57328%0.281SS*.SBendtrans-73.3-12.8-174.5-44.40000114.4Y1002Y1002-S1004 WeakPolarHBondContact CE1-OG 3.33Å; Y1002-S1004 PolarHBondContact OH-OG 2.78Å
1005Y79.2Confident85.5Confident59 Ų5950.8 Ų50.823%0.23127%0.267CS..SBendtrans-126.2148.5175.1-70.1-78.5000110A834 H838 Y1002 Q1003 P1007 I1010 L1013A834-Y1005 VanDerWaalsContact O-CE2 3.3Å; A834-Y1005 WeakPolarHBondContact O-CE2 3.39Å; A834-Y1005 PolarHBondContact O-OH 3.09Å; H838-Y1005 PolarHBondContact CD2-OH 3.36Å; H838-Y1005 PolarHBondContact NE2-OH 3.17Å; Y1002-Y1005 HydrophobicContact CE1-CD2 4.4Å; Q1003-Y1005 PolarHBondContact O-N 2.7Å; Y1005-P1007 WeakPolarHBondContact O-CD 3.5Å; Y1005-I1010 HydrophobicContact CD2-CD1 4.24Å; Y1005-I1010 HydrophobicContact CG-CD1 4.21Å; Y1005-I1010 HydrophobicContact CG-CG1 4.21Å; Y1005-L1013 HydrophobicContact CD1-CD1 3.94Å; Y1005-L1013 HydrophobicContact CE1-CD1 4.11Å
1006D86.8Confident85.8Confident72 Ų7243.4 Ų43.439%0.38524%0.239SC..  trans-70.2121.8167.7175.61.7000109.2Q985 S1008 T1009 I1010Q985-D1006 PolarHBondContact NE2-OD1 2.84Å; D1006-S1008 PolarHBondContact O-N 2.99Å; D1006-S1008 WeakPolarHBondContact OD1-CB 3.44Å; D1006-S1008 PolarHBondContact OD1-N 3.06Å; D1006-S1008 PolarHBondContact OD1-OG 3.25Å; D1006-T1009 HydrophobicContact CB-CG2 4.43Å; D1006-T1009 PolarHBondContact O-N 3.15Å; D1006-T1009 PolarHBondContact O-OG1 3.42Å; D1006-I1010 PolarHBondContact O-N 3.34Å
1007P88.1Confident86Confident23 Ų2341.4 Ų41.415%0.14923%0.229CC..THydrogen-bonded Turntrans-52.7-22.2175.6-28.937.4000114.2L979 G981 Q985 Y1005L979-P1007 HydrophobicContact CB-CB 4.46Å; L979-P1007 HydrophobicContact CB-CG 4.14Å; L979-P1007 WeakPolarHBondContact O-CB 3.45Å; G981-P1007 PolarHBondContact N-O 2.89Å; Q985-P1007 HydrophobicContact CG-CB 4.48Å; Q985-P1007 HydrophobicContact CG-CG 4.27Å; Y1005-P1007 WeakPolarHBondContact O-CD 3.5Å
1008S88.7Confident86.1Confident25 Ų2541.4 Ų41.418%0.17523%0.229CC..THydrogen-bonded Turntrans-83.4-11.2-177.8-32.80000114.2Q985 D1006Q985-S1008 PolarHBondContact NE2-OG 2.84Å; D1006-S1008 PolarHBondContact O-N 2.99Å; D1006-S1008 WeakPolarHBondContact OD1-CB 3.44Å; D1006-S1008 PolarHBondContact OD1-N 3.06Å; D1006-S1008 PolarHBondContact OD1-OG 3.25Å
1009T92Very high86.5Confident15 Ų1538.2 Ų38.29%0.09220%0.196CC..THydrogen-bonded Turntrans-128.2-18.7-174.165.60000114.2L695 L706 D1006 V1011 A1012 L1013L695-T1009 HydrophobicContact CD2-CG2 3.85Å; L706-T1009 HydrophobicContact CD1-CG2 3.72Å; D1006-T1009 HydrophobicContact CB-CG2 4.43Å; D1006-T1009 PolarHBondContact O-N 3.15Å; D1006-T1009 PolarHBondContact O-OG1 3.42Å; T1009-V1011 VanDerWaalsContact C-N 3.25Å; T1009-V1011 PolarHBondContact O-N 2.97Å; T1009-V1011 VanDerWaalsContact O-N 3.15Å; T1009-A1012 PolarHBondContact O-N 3.03Å; T1009-A1012 VanDerWaalsContact O-N 3.1Å; T1009-L1013 PolarHBondContact O-N 2.84Å
1010I92Very high86.7Confident4 Ų434.7 Ų34.72%0.02118%0.181CC..Hα-helixtrans-55.1-33.6-175-164.9178000114.1A831 A834 V978 V980 Y1005 D1006 G1014A831-I1010 HydrophobicContact CB-CD1 4.24Å; A831-I1010 HydrophobicContact CB-CG1 4.26Å; A831-I1010 HydrophobicContact CB-CG2 3.95Å; A834-I1010 HydrophobicContact CB-CD1 4.48Å; A834-I1010 HydrophobicContact CB-CG1 3.68Å; V978-I1010 HydrophobicContact CG1-CD1 3.92Å; V980-I1010 HydrophobicContact CB-CG2 4.38Å; V980-I1010 HydrophobicContact CG1-CG2 3.9Å; V980-I1010 HydrophobicContact CG2-CG2 3.99Å; Y1005-I1010 HydrophobicContact CD2-CD1 4.24Å; Y1005-I1010 HydrophobicContact CG-CD1 4.21Å; Y1005-I1010 HydrophobicContact CG-CG1 4.21Å; D1006-I1010 PolarHBondContact O-N 3.34Å; I1010-G1014 PolarHBondContact O-N 3.4Å
1011V93.9Very high86.3Confident6 Ų629 Ų294%0.03615%0.152CC..Hα-helixtrans-64.7-45177.8179.40000111.8D688 E827 A830 A831 V980 T1009 G1014 A1015D688-V1011 HydrophobicContact CB-CB 4.24Å; D688-V1011 HydrophobicContact CB-CG1 3.96Å; D688-V1011 WeakPolarHBondContact OD1-CG1 3.23Å; E827-V1011 HydrophobicContact CB-CG1 4.36Å; E827-V1011 HydrophobicContact CG-CG1 4.03Å; A830-V1011 HydrophobicContact CB-CG1 4.14Å; A831-V1011 HydrophobicContact CB-CG2 4.48Å; V980-V1011 HydrophobicContact CG1-CG2 3.35Å; T1009-V1011 VanDerWaalsContact C-N 3.25Å; T1009-V1011 PolarHBondContact O-N 2.97Å; T1009-V1011 VanDerWaalsContact O-N 3.15Å; V1011-G1014 PolarHBondContact O-N 3.48Å; V1011-A1015 PolarHBondContact O-N 3.13Å
1012A95.4Very high85.9Confident0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-66.7-41.9-178.700000111.6D688 L695 A697 L706 T1009 G1014 A1015 A1016D688-A1012 HydrophobicContact CB-CB 3.89Å; L695-A1012 HydrophobicContact CB-CB 3.78Å; A697-A1012 HydrophobicContact CB-CB 4.19Å; A697-A1012 WeakPolarHBondContact CB-O 3.49Å; L706-A1012 HydrophobicContact CD2-CB 4.07Å; T1009-A1012 PolarHBondContact O-N 3.03Å; T1009-A1012 VanDerWaalsContact O-N 3.1Å; A1012-G1014 VanDerWaalsContact C-N 3.31Å; A1012-G1014 PolarHBondContact O-N 2.69Å; A1012-A1015 PolarHBondContact O-N 2.94Å; A1012-A1016 PolarHBondContact O-N 2.93Å
1013L94.2Very high85.7Confident20 Ų2031.5 Ų31.511%0.10516%0.164CC..Hα-helixtrans-58.2-45.2172.6-63.4174.8000111.1A704 L706 A834 Y1005 T1009 A1015 A1016 I1017A704-L1013 HydrophobicContact CB-CB 4.24Å; A704-L1013 HydrophobicContact CB-CD2 3.91Å; A704-L1013 WeakPolarHBondContact O-CD2 3.42Å; L706-L1013 HydrophobicContact CD2-CD2 4.02Å; L706-L1013 HydrophobicContact CD2-CG 4.24Å; L706-L1013 HydrophobicContact CG-CD2 4Å; A834-L1013 HydrophobicContact CB-CB 4.31Å; Y1005-L1013 HydrophobicContact CD1-CD1 3.94Å; Y1005-L1013 HydrophobicContact CE1-CD1 4.11Å; T1009-L1013 PolarHBondContact O-N 2.84Å; L1013-A1015 PolarHBondContact O-N 2.78Å; L1013-A1016 PolarHBondContact O-N 3.15Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.39Å
1014G91.5Very high85.2Confident0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-61.3-38.4175.300000114.6A830 I1010 V1011 A1012 I1017 Q1018A830-G1014 WeakPolarHBondContact O-CA 3.37Å; I1010-G1014 PolarHBondContact O-N 3.4Å; V1011-G1014 PolarHBondContact O-N 3.48Å; A1012-G1014 VanDerWaalsContact C-N 3.31Å; A1012-G1014 PolarHBondContact O-N 2.69Å; G1014-I1017 PolarHBondContact O-N 2.89Å; G1014-Q1018 PolarHBondContact O-N 3.48Å
1015A93.4Very high84.4Confident0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-67.8-3617500000111.9V795 I825 V1011 A1012 L1013 Q1018 A1019V795-A1015 HydrophobicContact CG1-CB 4.38Å; I825-A1015 HydrophobicContact CG2-CB 4.32Å; V1011-A1015 PolarHBondContact O-N 3.13Å; A1012-A1015 PolarHBondContact O-N 2.94Å; L1013-A1015 PolarHBondContact O-N 2.78Å; A1015-Q1018 WeakPolarHBondContact O-CB 3.37Å; A1015-Q1018 PolarHBondContact O-N 2.88Å; A1015-A1019 PolarHBondContact O-N 2.93Å
1016A92.9Very high82.6Confident0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-69.6-39.9175.100000111.9A697 A704 A1012 L1013 Q1018 A1019 A1020A697-A1016 HydrophobicContact CB-CB 3.86Å; A704-A1016 HydrophobicContact CB-CB 4.12Å; A1012-A1016 PolarHBondContact O-N 2.93Å; L1013-A1016 PolarHBondContact O-N 3.15Å; A1016-Q1018 PolarHBondContact O-N 2.87Å; A1016-A1019 WeakPolarHBondContact O-CB 3.32Å; A1016-A1019 PolarHBondContact O-N 3.3Å; A1016-A1020 PolarHBondContact O-N 3.35Å
1017I89.3Confident80.8Confident10 Ų1038.9 Ų38.95%0.05119%0.188CC..Hα-helixtrans-57.3-48.2169.7-70.3157.1000110.4W699 A704 M833 A834 L837 L1013 G1014 A1019 A1020 C1021W699-I1017 HydrophobicContact CE3-CG1 4.18Å; W699-I1017 HydrophobicContact CZ3-CG1 3.87Å; A704-I1017 HydrophobicContact CB-CD1 4.46Å; A704-I1017 HydrophobicContact CB-CG1 4.11Å; M833-I1017 HydrophobicContact CB-CG2 4.13Å; A834-I1017 HydrophobicContact CB-CD1 4.12Å; L837-I1017 HydrophobicContact CD1-CD1 3.69Å; L837-I1017 HydrophobicContact CD1-CG1 3.86Å; L837-I1017 HydrophobicContact CD1-CG2 3.8Å; L1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; L1013-I1017 PolarHBondContact O-N 3.39Å; G1014-I1017 PolarHBondContact O-N 2.89Å; I1017-A1019 PolarHBondContact O-N 3.14Å; I1017-A1020 PolarHBondContact O-N 3.33Å; I1017-C1021 PolarHBondContact O-N 2.9Å; I1017-C1021 PolarHBondContact O-SG 3.16Å
1018Q86.6Confident79.3Confident11 Ų1138.7 Ų38.75%0.05119%0.186CC..Hα-helixtrans-58-38.9176.9-176.355.296.900112.6V795 R823 I825 M833 G1014 A1015 A1016 R1022V795-Q1018 HydrophobicContact CG1-CB 4.1Å; V795-Q1018 HydrophobicContact CG1-CG 3.92Å; V795-Q1018 HydrophobicContact CG2-CG 4.34Å; R823-Q1018 VanDerWaalsContact NH1-OE1 3.13Å; I825-Q1018 HydrophobicContact CD1-CB 3.93Å; I825-Q1018 HydrophobicContact CD1-CG 3.92Å; M833-Q1018 HydrophobicContact CE-CB 3.57Å; M833-Q1018 HydrophobicContact CE-CG 4.15Å; G1014-Q1018 PolarHBondContact O-N 3.48Å; A1015-Q1018 WeakPolarHBondContact O-CB 3.37Å; A1015-Q1018 PolarHBondContact O-N 2.88Å; A1016-Q1018 PolarHBondContact O-N 2.87Å; Q1018-R1022 PolarHBondContact O-N 2.71Å
1019A88.5Confident77.5Confident2 Ų244.5 Ų44.52%0.01721%0.21CC..Hα-helixtrans-65.5-40.5176.900000111A684 V795 A1015 A1016 I1017 R1022 L1023A684-A1019 VanDerWaalsContact C-CB 3.49Å; A684-A1019 VanDerWaalsContact CB-C 3.5Å; A684-A1019 HydrophobicContact CB-CB 3.69Å; V795-A1019 HydrophobicContact CB-CB 4.29Å; V795-A1019 HydrophobicContact CG2-CB 3.68Å; A1015-A1019 PolarHBondContact O-N 2.93Å; A1016-A1019 WeakPolarHBondContact O-CB 3.32Å; A1016-A1019 PolarHBondContact O-N 3.3Å; I1017-A1019 PolarHBondContact O-N 3.14Å; A1019-R1022 WeakPolarHBondContact O-CB 3.4Å; A1019-R1022 PolarHBondContact O-N 2.72Å; A1019-L1023 WeakPolarHBondContact O-CG 3.48Å; A1019-L1023 PolarHBondContact O-N 3.44Å
1020A84.4Confident75.7Confident1 Ų149.8 Ų49.81%0.00823%0.234CC..Hα-helixtrans-70-39.4178.200000113.2A684 W699 A1016 I1017 R1022 L1023 R1024 S1025 I1028A684-A1020 HydrophobicContact CB-CB 3.73Å; A684-A1020 VanDerWaalsContact CB-N 3.27Å; W699-A1020 HydrophobicContact CB-CB 3.7Å; W699-A1020 HydrophobicContact CD2-CB 3.68Å; W699-A1020 HydrophobicContact CE3-CB 4.21Å; W699-A1020 HydrophobicContact CG-CB 3.43Å; W699-A1020 VanDerWaalsContact CG-CB 3.43Å; A1016-A1020 PolarHBondContact O-N 3.35Å; I1017-A1020 PolarHBondContact O-N 3.33Å; A1020-R1022 VanDerWaalsContact C-N 3.26Å; A1020-R1022 PolarHBondContact O-N 3.38Å; A1020-L1023 PolarHBondContact O-N 3.07Å; A1020-R1024 PolarHBondContact O-N 2.88Å; A1020-S1025 PolarHBondContact O-N 2.92Å; A1020-I1028 HydrophobicContact CB-CD1 3.35Å
1021C76.6Confident74.2Confident23 Ų2351.6 Ų51.616%0.15524%0.244CC..Hα-helixtrans-57.5-38.8171-59.10000111.8I1017 L1023 R1024I1017-C1021 PolarHBondContact O-N 2.9Å; I1017-C1021 PolarHBondContact O-SG 3.16Å; C1021-L1023 VanDerWaalsContact C-N 3.26Å; C1021-L1023 PolarHBondContact O-N 3.15Å; C1021-R1024 PolarHBondContact O-N 2.71Å
1022R72.3Confident72.7Confident93 Ų9355.9 Ų55.935%0.35127%0.266SS..Hα-helixtrans-62.6-35.3176.9-177.4-17365.292.9-9.1111.8E682 Q1018 A1019 A1020 R1024E682-R1022 IonicContact OE2-CZ 3.73Å; E682-R1022 IonicContact OE2-NH1 2.68Å; E682-R1022 PolarHBondContact OE2-NH1 3.43Å; E682-R1022 IonicContact OE2-NH2 2.67Å; E682-R1022 PolarHBondContact OE2-NH2 3.31Å; Q1018-R1022 PolarHBondContact O-N 2.71Å; A1019-R1022 WeakPolarHBondContact O-CB 3.4Å; A1019-R1022 PolarHBondContact O-N 2.72Å; A1020-R1022 VanDerWaalsContact C-N 3.26Å; A1020-R1022 PolarHBondContact O-N 3.38Å; R1022-R1024 VanDerWaalsContact C-N 3.33Å
1023L70.4Confident71.3Confident56 Ų5656.9 Ų56.929%0.29327%0.272SS..THydrogen-bonded Turntrans-86.2-2-176.4-63.5-178.8000114E682 A684 A1019 A1020 C1021 S1025E682-L1023 HydrophobicContact CB-CD1 3.76Å; E682-L1023 HydrophobicContact CB-CD2 3.66Å; E682-L1023 HydrophobicContact CB-CG 4.38Å; E682-L1023 HydrophobicContact CG-CD2 4.34Å; E682-L1023 WeakPolarHBondContact O-CD1 3.39Å; E682-L1023 VanDerWaalsContact OE2-CD2 3.31Å; E682-L1023 WeakPolarHBondContact OE2-CD2 3.48Å; A684-L1023 HydrophobicContact CB-CD1 3.89Å; A1019-L1023 WeakPolarHBondContact O-CG 3.48Å; A1019-L1023 PolarHBondContact O-N 3.44Å; A1020-L1023 PolarHBondContact O-N 3.07Å; C1021-L1023 VanDerWaalsContact C-N 3.26Å; C1021-L1023 PolarHBondContact O-N 3.15Å; L1023-S1025 PolarHBondContact O-N 3.03Å
1024R60.8Low70.1Confident190 Ų19057.2 Ų57.272%0.71727%0.274SS*.THydrogen-bonded Turntrans51.643.1-174.2-63179.4164.1160.4-1.1112.5A1020 C1021 R1022 E1026 E1030A1020-R1024 PolarHBondContact O-N 2.88Å; C1021-R1024 PolarHBondContact O-N 2.71Å; R1022-R1024 VanDerWaalsContact C-N 3.33Å; R1024-E1026 PolarHBondContact O-N 2.81Å; R1024-E1030 IonicContact CZ-OE1 3.42Å; R1024-E1030 IonicContact NE-OE1 2.72Å; R1024-E1030 PolarHBondContact NE-OE1 3.03Å; R1024-E1030 IonicContact NH2-OE1 3.25Å
1025S54.9Low68.8Low32 Ų3259.2 Ų59.222%0.22429%0.285CS..  trans-55.5127.4170-179.40000109W699 A1020 L1023 D1027 I1028W699-S1025 PolarHBondContact NE1-OG 3.35Å; A1020-S1025 PolarHBondContact O-N 2.92Å; L1023-S1025 PolarHBondContact O-N 3.03Å; S1025-D1027 PolarHBondContact O-N 3.08Å; S1025-I1028 PolarHBondContact O-N 2.83Å; S1025-I1028 VanDerWaalsContact O-N 3.08Å
1026E42.7Very low67.8Low198 Ų19860 Ų6093%0.92529%0.289SS*.THydrogen-bonded Turntrans-58-20.6-172.9-60-172.716000113.5R1024 I1028R1024-E1026 PolarHBondContact O-N 2.81Å; E1026-I1028 VanDerWaalsContact C-N 3.29Å; E1026-I1028 PolarHBondContact O-N 3.35Å
1027D49.2Very low66.9Low107 Ų10760 Ų6057%0.57229%0.289SS*.THydrogen-bonded Turntrans-74.8-7.3179.1-59-48.6000114.7W699 G702 S1025W699-D1027 HydrophobicContact CZ2-CB 3.85Å; G702-D1027 WeakPolarHBondContact CA-OD2 3.38Å; S1025-D1027 PolarHBondContact O-N 3.08Å
1028I54.9Low65.8Low20 Ų2061.2 Ų61.210%0.10330%0.298CS..SBendtrans-126.7120.3-173.1-52-179.1000112.2W699 L837 A1020 S1025 E1026W699-I1028 HydrophobicContact CD2-CD1 4.05Å; W699-I1028 HydrophobicContact CE3-CD1 4.11Å; W699-I1028 HydrophobicContact CH2-CD1 3.68Å; W699-I1028 HydrophobicContact CH2-CG1 3.75Å; W699-I1028 HydrophobicContact CZ2-CD1 3.59Å; W699-I1028 HydrophobicContact CZ2-CG1 3.49Å; W699-I1028 VanDerWaalsContact CZ2-CG1 3.49Å; W699-I1028 HydrophobicContact CZ3-CD1 3.94Å; W699-I1028 HydrophobicContact CZ3-CG1 4.49Å; L837-I1028 HydrophobicContact CD2-CG2 4.37Å; A1020-I1028 HydrophobicContact CB-CD1 3.35Å; S1025-I1028 PolarHBondContact O-N 2.83Å; S1025-I1028 VanDerWaalsContact O-N 3.08Å; E1026-I1028 VanDerWaalsContact C-N 3.29Å; E1026-I1028 PolarHBondContact O-N 3.35Å
1029E51.4Low65.5Low146 Ų14663 Ų6368%0.68230%0.304SS*.  trans-60.3135.1166.7-64.8-178.1171.300110.5V1031E1029-V1031 PolarHBondContact O-N 3.4Å
1030E54.4Low65.5Low127 Ų12763 Ų6359%0.59330%0.304SS*.  trans-61.892.6-178.4-82.8-168.2159.800111.8R1024 I1032R1024-E1030 IonicContact CZ-OE1 3.42Å; R1024-E1030 IonicContact NE-OE1 2.72Å; R1024-E1030 PolarHBondContact NE-OE1 3.03Å; R1024-E1030 IonicContact NH2-OE1 3.25Å; E1030-I1032 PolarHBondContact O-N 3.21Å
1031V60.8Low65.8Low41 Ų4163.2 Ų63.225%0.24831%0.305CS..  trans-71.5114.7175.1179.30000110L837 P865 I867 E1029 L1033L837-V1031 HydrophobicContact CD2-CG2 4.47Å; P865-V1031 CarbonylContact O-C 3.59Å; P865-V1031 WeakPolarHBondContact O-CA 3.35Å; I867-V1031 HydrophobicContact CD1-CG1 3.61Å; I867-V1031 HydrophobicContact CG1-CG1 3.76Å; E1029-V1031 PolarHBondContact O-N 3.4Å; V1031-L1033 PolarHBondContact O-N 2.66Å
1032I63.3Low66.7Low97 Ų9762.1 Ų62.150%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-84.4106.5177.2-58.4177.9000108.5P865 V866 I867 E1030P865-I1032 PolarHBondContact O-N 3.24Å; V866-I1032 CarbonylContact C-O 3.58Å; V866-I1032 VanDerWaalsContact CA-O 3.28Å; V866-I1032 WeakPolarHBondContact CA-O 3.41Å; V866-I1032 WeakPolarHBondContact CG1-O 3.49Å; V866-I1032 HydrophobicContact CG2-CB 4.31Å; I867-I1032 PolarHBondContact N-O 2.97Å; E1030-I1032 PolarHBondContact O-N 3.21Å
1033L65.9Low67.8Low21 Ų2157.8 Ų57.811%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-93.3122.9175.1-162.2110.3000111.4T829 M833 I867 V1031T829-L1033 HydrophobicContact CG2-CD1 3.37Å; T829-L1033 HydrophobicContact CG2-CD2 3.33Å; T829-L1033 HydrophobicContact CG2-CG 3.92Å; M833-L1033 HydrophobicContact CG-CD1 4.29Å; M833-L1033 HydrophobicContact SD-CD1 4.23Å; I867-L1033 HydrophobicContact CB-CD1 3.95Å; I867-L1033 HydrophobicContact CD1-CD1 4.24Å; I867-L1033 HydrophobicContact CG2-CD1 4.08Å; V1031-L1033 PolarHBondContact O-N 2.66Å
1034T67.3Low69Low26 Ų2658 Ų5816%0.1628%0.281CS..  trans-93.2146163.865.80000110.1I867 E868 T1063I867-T1034 PolarHBondContact O-N 3.21Å; I867-T1034 VanDerWaalsContact O-N 3.09Å; I867-T1034 PolarHBondContact O-OG1 2.81Å; E868-T1034 WeakPolarHBondContact CA-OG1 3.24Å; T1034-T1063 HydrophobicContact CG2-CG2 4.28Å; T1034-T1063 WeakPolarHBondContact OG1-CG2 3.1Å
1035D66.1Low70.5Confident43 Ų4349.9 Ų49.923%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-114.4-179.9176.3-153.9-15.1000109.1N826 T1063 V1064N826-D1035 PolarHBondContact ND2-OD1 2.86Å; N826-D1035 PolarHBondContact ND2-OD2 2.85Å; D1035-T1063 CarbonylContact O-C 3.25Å; D1035-T1063 WeakPolarHBondContact O-CA 3.32Å; D1035-V1064 VanDerWaalsContact C-CG2 3.48Å; D1035-V1064 HydrophobicContact CB-CG2 3.9Å; D1035-V1064 VanDerWaalsContact O-CG2 3.25Å; D1035-V1064 WeakPolarHBondContact O-CG2 3.4Å; D1035-V1064 PolarHBondContact O-N 3.27Å
1036I71.6Confident72.2Confident15 Ų1551.2 Ų51.28%0.07726%0.257CS..EExtended strand (participates in β ladder)trans-128.5157.5-178.551.2161.5000113.1V869 S872 P1038 N1061 T1062V869-I1036 HydrophobicContact CB-CG2 4.16Å; V869-I1036 HydrophobicContact CG1-CD1 3.89Å; V869-I1036 HydrophobicContact CG1-CG1 3.86Å; V869-I1036 HydrophobicContact CG1-CG2 4Å; V869-I1036 WeakPolarHBondContact O-CG2 3.37Å; S872-I1036 VanDerWaalsContact N-CD1 3.32Å; I1036-P1038 VanDerWaalsContact O-CD 3.29Å; I1036-P1038 WeakPolarHBondContact O-CD 3.48Å; I1036-N1061 HydrophobicContact CD1-CB 4.49Å; I1036-N1061 WeakPolarHBondContact CD1-OD1 3.4Å; I1036-T1062 WeakPolarHBondContact CA-O 3.47Å
1037C73.3Confident74.1Confident1 Ų148.3 Ų48.31%0.00724%0.238CC..  trans-68.5117.8169.1-59.80000110.6Y1039 I1058 R1060 N1061 T1062 Y1122C1037-Y1039 VanDerWaalsContact C-N 3.28Å; C1037-Y1039 PolarHBondContact O-N 3.43Å; C1037-I1058 HydrophobicContact CB-CG2 4.39Å; C1037-I1058 WeakPolarHBondContact SG-CG2 3.38Å; C1037-R1060 CarbonylContact O-C 3.51Å; C1037-R1060 WeakPolarHBondContact O-CA 3.39Å; C1037-N1061 PolarHBondContact O-N 3.37Å; C1037-T1062 PolarHBondContact N-O 3.06Å; C1037-T1062 PolarHBondContact SG-O 3.17Å; C1037-T1062 VanDerWaalsContact SG-O 3.33Å; C1037-Y1122 VanDerWaalsContact SG-CD1 3.6Å
1038P66.5Low75.5Confident36 Ų3653 Ų5323%0.23426%0.257CS..SBendtrans-71.7-21.2-179.726.2-32.9000113.7I1036I1036-P1038 VanDerWaalsContact O-CD 3.29Å; I1036-P1038 WeakPolarHBondContact O-CD 3.48Å
1039Y79.9Confident76.6Confident48 Ų4855.1 Ų55.119%0.18828%0.283CS..SBendtrans-142153.4-178.3-62.9-82000110.1Y801 C1037 Q1088Y801-Y1039 HydrophobicContact CE1-CE1 4.45Å; Y801-Y1039 WeakPolarHBondContact CE1-OH 3.06Å; C1037-Y1039 VanDerWaalsContact C-N 3.28Å; C1037-Y1039 PolarHBondContact O-N 3.43Å; Y1039-Q1088 HydrophobicContact CG-CG 4.21Å
1040S88.4Confident78.2Confident1 Ų152 Ų521%0.00727%0.274CS..  trans-68.7133.3173.7-65.80000111.2I1058 E1059 R1060 Q1088 G1089 E1090S1040-I1058 CarbonylContact C-O 3.53Å; S1040-I1058 WeakPolarHBondContact CA-O 3.22Å; S1040-E1059 WeakPolarHBondContact CB-OE2 3.39Å; S1040-E1059 WeakPolarHBondContact OG-CA 3.07Å; S1040-E1059 PolarHBondContact OG-OE2 3.24Å; S1040-R1060 PolarHBondContact OG-N 3.21Å; S1040-Q1088 WeakPolarHBondContact O-CA 3.14Å; S1040-G1089 PolarHBondContact O-N 3Å; S1040-E1090 PolarHBondContact N-OE1 3.37Å
1041L92.2Very high79.8Confident6 Ų650 Ų503%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-107.4132.9175.3-64.4169.6000109.4I1057 I1058 Y1087 Q1088 F1120 Y1122 L1128L1041-I1057 PolarHBondContact O-N 3.44Å; L1041-I1058 HydrophobicContact CB-CB 4.38Å; L1041-I1058 PolarHBondContact N-O 3.05Å; L1041-I1058 PolarHBondContact O-N 3.3Å; L1041-Y1087 WeakPolarHBondContact CA-O 3.48Å; L1041-Q1088 HydrophobicContact CD2-CB 3.9Å; L1041-Q1088 HydrophobicContact CD2-CG 4Å; L1041-F1120 HydrophobicContact CB-CD2 3.98Å; L1041-F1120 HydrophobicContact CB-CE2 4.05Å; L1041-Y1122 HydrophobicContact CD1-CD1 4.25Å; L1041-Y1122 HydrophobicContact CD1-CD2 4.49Å; L1041-Y1122 HydrophobicContact CD1-CE1 4.49Å; L1041-Y1122 HydrophobicContact CD1-CG 4.29Å; L1041-L1128 HydrophobicContact CD1-CD1 4.26Å; L1041-L1128 HydrophobicContact CD1-CD2 4.23Å
1042G94.2Very high81.1Confident0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-166.6-164.9-17700000113.9S1055 V1086 Y1087G1042-S1055 CarbonylContact C-O 3.51Å; G1042-S1055 WeakPolarHBondContact CA-O 3.43Å; G1042-V1086 WeakPolarHBondContact O-CA 3.35Å; G1042-Y1087 PolarHBondContact N-O 3.46Å; G1042-Y1087 PolarHBondContact O-N 3.38Å
1043V95.6Very high82.6Confident3 Ų344.6 Ų44.62%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-124.5157.7-177.5-62.40000113V1045 S1055 I1057 Y1072 V1084 N1085 I1118 F1120V1043-V1045 HydrophobicContact CG2-CG1 4Å; V1043-S1055 PolarHBondContact N-O 3.41Å; V1043-S1055 PolarHBondContact O-N 3.15Å; V1043-I1057 HydrophobicContact CG1-CD1 4.03Å; V1043-I1057 HydrophobicContact CG2-CD1 4.09Å; V1043-Y1072 HydrophobicContact CG2-CE1 4.38Å; V1043-Y1072 HydrophobicContact CG2-CE2 3.87Å; V1043-V1084 HydrophobicContact CG1-CG1 3.91Å; V1043-N1085 VanDerWaalsContact CA-O 3.25Å; V1043-N1085 WeakPolarHBondContact CA-O 3.49Å; V1043-I1118 HydrophobicContact CG1-CG2 4.37Å; V1043-F1120 HydrophobicContact CG1-CE1 3.79Å; V1043-F1120 HydrophobicContact CG1-CZ 3.61Å
1044E95.5Very high84Confident61 Ų6144.2 Ų44.229%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-70.8135.6164.1-172.5-178.3179.800110.9G1052 I1053 N1085 Y1087 V1094E1044-G1052 WeakPolarHBondContact OE1-CA 3.46Å; E1044-G1052 PolarHBondContact OE1-N 3.39Å; E1044-I1053 WeakPolarHBondContact CA-O 3.37Å; E1044-N1085 HydrophobicContact CB-CB 4.05Å; E1044-N1085 PolarHBondContact N-O 3.46Å; E1044-N1085 VanDerWaalsContact N-O 3.08Å; E1044-N1085 PolarHBondContact OE2-ND2 3.37Å; E1044-Y1087 HydrophobicContact CB-CD2 4.33Å; E1044-Y1087 HydrophobicContact CB-CE2 4.01Å; E1044-V1094 HydrophobicContact CB-CG1 4.04Å; E1044-V1094 HydrophobicContact CG-CG1 4.07Å; E1044-V1094 HydrophobicContact CG-CG2 4.2Å
1045V93.5Very high85.4Confident19 Ų1943.2 Ų43.212%0.11524%0.24CC..EExtended strand (participates in β ladder)trans-131.9158.5175.2-60.70000112.2V1043 R1047 I1053 Y1072V1043-V1045 HydrophobicContact CG2-CG1 4Å; V1045-R1047 HydrophobicContact CG2-CG 3.88Å; V1045-I1053 HydrophobicContact CG2-CB 4.06Å; V1045-I1053 HydrophobicContact CG2-CG2 4.12Å; V1045-I1053 WeakPolarHBondContact CG2-O 3.49Å; V1045-I1053 PolarHBondContact N-O 2.62Å; V1045-I1053 PolarHBondContact O-N 2.93Å; V1045-Y1072 HydrophobicContact CG1-CD1 3.87Å; V1045-Y1072 HydrophobicContact CG1-CE1 3.51Å
1046N89.7Confident86.7Confident60 Ų6042.9 Ų42.932%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-94.9115.5161-167.5-58000109.4G1049 V1050 M1075N1046-G1049 VanDerWaalsContact OD1-C 3.25Å; N1046-G1049 WeakPolarHBondContact OD1-CA 3.47Å; N1046-G1049 PolarHBondContact OD1-N 3.23Å; N1046-V1050 WeakPolarHBondContact CA-O 3.36Å; N1046-V1050 PolarHBondContact OD1-N 3.25Å; N1046-M1075 HydrophobicContact CB-CE 4.01Å; N1046-M1075 HydrophobicContact CB-SD 4.07Å; N1046-M1075 WeakPolarHBondContact ND2-CE 3.49Å
1047R82.1Confident87.7Confident137 Ų13742.7 Ų42.752%0.51724%0.239SC..EExtended strand (participates in β ladder)trans-109.7120.7171.9-76-174.6-175.2-175.34.2109.4V1045 G1049 V1050 S1055V1045-R1047 HydrophobicContact CG2-CG 3.88Å; R1047-G1049 PolarHBondContact O-N 2.97Å; R1047-G1049 VanDerWaalsContact O-N 3.15Å; R1047-V1050 PolarHBondContact N-O 3.43Å; R1047-V1050 PolarHBondContact O-N 2.8Å; R1047-S1055 PolarHBondContact NH2-OG 3.2Å; R1047-S1055 VanDerWaalsContact NH2-OG 3.08Å
1048Q78.7Confident88.4Confident206 Ų20642.7 Ų42.796%0.96324%0.239SC*.THydrogen-bonded Turntrans53.133.8175.6-58.3-178.6-7.200114.4
1049G77.7Confident89.4Confident63 Ų6345.7 Ų45.765%0.64925%0.25SC*.THydrogen-bonded Turntrans92.9-7.4-179.200000114.7N1046 R1047N1046-G1049 VanDerWaalsContact OD1-C 3.25Å; N1046-G1049 WeakPolarHBondContact OD1-CA 3.47Å; N1046-G1049 PolarHBondContact OD1-N 3.23Å; R1047-G1049 PolarHBondContact O-N 2.97Å; R1047-G1049 VanDerWaalsContact O-N 3.15Å
1050V85.2Confident89.6Confident82 Ų8246.7 Ų46.750%0.49725%0.253SS..EExtended strand (participates in β ladder)trans-95.1117.6177-170.70000109.9N1046 R1047 I1053N1046-V1050 WeakPolarHBondContact CA-O 3.36Å; N1046-V1050 PolarHBondContact OD1-N 3.25Å; R1047-V1050 PolarHBondContact N-O 3.43Å; R1047-V1050 PolarHBondContact O-N 2.8Å; V1050-I1053 HydrophobicContact CB-CD1 4.47Å; V1050-I1053 HydrophobicContact CB-CG1 4.35Å; V1050-I1053 HydrophobicContact CG1-CD1 3.85Å; V1050-I1053 HydrophobicContact CG1-CG1 4.14Å; V1050-I1053 WeakPolarHBondContact O-CG1 3.06Å
1051S87.2Confident88.9Confident84 Ų8447.6 Ų47.659%0.58726%0.258SS*.EExtended strand (participates in β ladder)trans-85.9171.1171.7570000112.4I1053S1051-I1053 VanDerWaalsContact C-N 3.31Å; S1051-I1053 PolarHBondContact O-N 2.88Å
1052G90.2Very high88.2Confident18 Ų1848.5 Ų48.519%0.18626%0.264CS..EExtended strand (participates in β ladder)trans73.120.6-178.900000114.5E1044 K1093 V1094E1044-G1052 WeakPolarHBondContact OE1-CA 3.46Å; E1044-G1052 PolarHBondContact OE1-N 3.39Å; G1052-K1093 WeakPolarHBondContact O-CA 3.49Å; G1052-V1094 PolarHBondContact O-N 2.94Å
1053I94.4Very high87.2Confident7 Ų750.3 Ų50.34%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-92.3130.7178.4-55.8-59.8000109.2E1044 V1045 V1050 S1051E1044-I1053 WeakPolarHBondContact CA-O 3.37Å; V1045-I1053 HydrophobicContact CG2-CB 4.06Å; V1045-I1053 HydrophobicContact CG2-CG2 4.12Å; V1045-I1053 WeakPolarHBondContact CG2-O 3.49Å; V1045-I1053 PolarHBondContact N-O 2.62Å; V1045-I1053 PolarHBondContact O-N 2.93Å; V1050-I1053 HydrophobicContact CB-CD1 4.47Å; V1050-I1053 HydrophobicContact CB-CG1 4.35Å; V1050-I1053 HydrophobicContact CG1-CD1 3.85Å; V1050-I1053 HydrophobicContact CG1-CG1 4.14Å; V1050-I1053 WeakPolarHBondContact O-CG1 3.06Å; S1051-I1053 VanDerWaalsContact C-N 3.31Å; S1051-I1053 PolarHBondContact O-N 2.88Å
1054F95.6Very high86.1Confident13 Ų1350.4 Ų50.46%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-79.9130.6174.1-176.6-122000110.3P1056 Y1087 G1089 N1091 H1092 V1094 N1097F1054-P1056 HydrophobicContact CE1-CB 3.94Å; F1054-P1056 HydrophobicContact CE1-CG 4.45Å; F1054-P1056 HydrophobicContact CZ-CB 4.3Å; F1054-Y1087 WeakPolarHBondContact CE2-O 3.13Å; F1054-G1089 WeakPolarHBondContact CE1-O 3.3Å; F1054-N1091 WeakPolarHBondContact CB-O 3.27Å; F1054-H1092 PolarHBondContact N-O 3.27Å; F1054-V1094 HydrophobicContact CB-CG1 3.89Å; F1054-V1094 HydrophobicContact CD2-CG1 4.39Å; F1054-N1097 WeakPolarHBondContact CD1-ND2 3.14Å; F1054-N1097 WeakPolarHBondContact CG-ND2 3.28Å
1055S94.9Very high85Confident5 Ų550.5 Ų50.54%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-117.2103.3169.2-161.10000108.5G1042 V1043 R1047 Y1072G1042-S1055 CarbonylContact C-O 3.51Å; G1042-S1055 WeakPolarHBondContact CA-O 3.43Å; V1043-S1055 PolarHBondContact N-O 3.41Å; V1043-S1055 PolarHBondContact O-N 3.15Å; R1047-S1055 PolarHBondContact NH2-OG 3.2Å; R1047-S1055 VanDerWaalsContact NH2-OG 3.08Å; S1055-Y1072 PolarHBondContact OG-OH 2.94Å
1056P93.5Very high84.3Confident35 Ų3550.5 Ų50.523%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-62.6148.5173.527.3-33.8000110.6F1054 E1059F1054-P1056 HydrophobicContact CE1-CB 3.94Å; F1054-P1056 HydrophobicContact CE1-CG 4.45Å; F1054-P1056 HydrophobicContact CZ-CB 4.3Å; P1056-E1059 VanDerWaalsContact CB-OE2 3.3Å; P1056-E1059 WeakPolarHBondContact CB-OE2 3.4Å; P1056-E1059 WeakPolarHBondContact CG-OE1 3.11Å
1057I92.6Very high84.1Confident11 Ų1148.9 Ų48.96%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-123.4-40.9176.4-61.2179.7000109.6L1041 V1043 R1068 E1070 Y1072 I1118 F1120L1041-I1057 PolarHBondContact O-N 3.44Å; V1043-I1057 HydrophobicContact CG1-CD1 4.03Å; V1043-I1057 HydrophobicContact CG2-CD1 4.09Å; I1057-R1068 HydrophobicContact CG2-CB 3.94Å; I1057-R1068 WeakPolarHBondContact O-CB 3.27Å; I1057-R1068 WeakPolarHBondContact O-CG 3.47Å; I1057-E1070 HydrophobicContact CD1-CB 4.4Å; I1057-E1070 HydrophobicContact CG1-CB 4.13Å; I1057-E1070 HydrophobicContact CG1-CG 4.07Å; I1057-E1070 HydrophobicContact CG2-CG 4.36Å; I1057-Y1072 HydrophobicContact CD1-CE2 4.1Å; I1057-I1118 HydrophobicContact CD1-CB 4.38Å; I1057-I1118 HydrophobicContact CD1-CG2 4.01Å; I1057-F1120 HydrophobicContact CB-CD2 4.31Å; I1057-F1120 HydrophobicContact CB-CG 4.26Å; I1057-F1120 HydrophobicContact CD1-CD1 3.86Å; I1057-F1120 HydrophobicContact CD1-CE1 3.71Å; I1057-F1120 HydrophobicContact CD1-CG 4.38Å; I1057-F1120 HydrophobicContact CD1-CZ 4.09Å; I1057-F1120 HydrophobicContact CG2-CB 4.03Å; I1057-F1120 HydrophobicContact CG2-CD1 4.38Å; I1057-F1120 HydrophobicContact CG2-CG 4.1Å
1058I89.4Confident84.3Confident1 Ų144.6 Ų44.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-114.8119165.7-60.1170.5000106.5C1037 S1040 L1041 T1062 V1066 R1068 F1120C1037-I1058 HydrophobicContact CB-CG2 4.39Å; C1037-I1058 WeakPolarHBondContact SG-CG2 3.38Å; S1040-I1058 CarbonylContact C-O 3.53Å; S1040-I1058 WeakPolarHBondContact CA-O 3.22Å; L1041-I1058 HydrophobicContact CB-CB 4.38Å; L1041-I1058 PolarHBondContact N-O 3.05Å; L1041-I1058 PolarHBondContact O-N 3.3Å; I1058-T1062 HydrophobicContact CG2-CG2 4.06Å; I1058-V1066 HydrophobicContact CD1-CG1 3.86Å; I1058-V1066 HydrophobicContact CG1-CG1 4.27Å; I1058-V1066 HydrophobicContact CG2-CG1 4.03Å; I1058-R1068 HydrophobicContact CG1-CB 3.97Å; I1058-R1068 HydrophobicContact CG1-CG 3.97Å; I1058-F1120 HydrophobicContact CD1-CB 3.59Å; I1058-F1120 HydrophobicContact CG1-CB 3.98Å
1059E87.7Confident84.8Confident99 Ų9935.2 Ų35.246%0.46322%0.215SC..  trans-80.6156.5178.2-63.4-74.5-161.500111.1S1040 P1056 T1062S1040-E1059 WeakPolarHBondContact CB-OE2 3.39Å; S1040-E1059 WeakPolarHBondContact OG-CA 3.07Å; S1040-E1059 PolarHBondContact OG-OE2 3.24Å; P1056-E1059 VanDerWaalsContact CB-OE2 3.3Å; P1056-E1059 WeakPolarHBondContact CB-OE2 3.4Å; P1056-E1059 WeakPolarHBondContact CG-OE1 3.11Å; E1059-T1062 PolarHBondContact N-OG1 3.37Å; E1059-T1062 VanDerWaalsContact O-CB 3.22Å; E1059-T1062 WeakPolarHBondContact O-CB 3.21Å; E1059-T1062 PolarHBondContact O-N 3.42Å; E1059-T1062 PolarHBondContact O-OG1 3Å
1060R83.3Confident85.4Confident70 Ų7036.1 Ų36.126%0.26420%0.203SC..THydrogen-bonded Turntrans-55.5155.2167.767.4169.4-171-156.15.7111.7D966 C1037 S1040 T1062 E1090D966-R1060 IonicContact OD2-NE 2.54Å; D966-R1060 IonicContact OD2-NH2 3.66Å; C1037-R1060 CarbonylContact O-C 3.51Å; C1037-R1060 WeakPolarHBondContact O-CA 3.39Å; S1040-R1060 PolarHBondContact OG-N 3.21Å; R1060-T1062 PolarHBondContact O-N 2.95Å; R1060-E1090 VanDerWaalsContact CD-OE2 3.27Å; R1060-E1090 WeakPolarHBondContact CD-OE2 3.4Å; R1060-E1090 IonicContact CZ-OE2 4Å; R1060-E1090 IonicContact NE-OE2 3.04Å; R1060-E1090 IonicContact NH1-OE2 3.83Å; R1060-E1090 PolarHBondContact NH1-OE2 3.2Å
1061N74.2Confident85.6Confident19 Ų1935.5 Ų35.510%0.10220%0.199CC..THydrogen-bonded Turntrans60.310.4-170.5-53.7-67.9000114.8A871 S872 D966 I1036 C1037 T1063A871-N1061 WeakPolarHBondContact CA-OD1 3.43Å; A871-N1061 HydrophobicContact CB-CB 4.35Å; S872-N1061 PolarHBondContact N-OD1 3.47Å; S872-N1061 PolarHBondContact O-OD1 3.28Å; D966-N1061 HydrophobicContact CB-CB 4.46Å; D966-N1061 WeakPolarHBondContact CB-ND2 3.21Å; D966-N1061 PolarHBondContact OD2-ND2 2.9Å; I1036-N1061 HydrophobicContact CD1-CB 4.49Å; I1036-N1061 WeakPolarHBondContact CD1-OD1 3.4Å; C1037-N1061 PolarHBondContact O-N 3.37Å; N1061-T1063 PolarHBondContact O-N 3.28Å
1062T77Confident85.8Confident25 Ų2533.7 Ų33.715%0.15318%0.18CC..  trans-71121.3168.8-56.80000109.6I1036 C1037 I1058 E1059 R1060 V1066I1036-T1062 WeakPolarHBondContact CA-O 3.47Å; C1037-T1062 PolarHBondContact N-O 3.06Å; C1037-T1062 PolarHBondContact SG-O 3.17Å; C1037-T1062 VanDerWaalsContact SG-O 3.33Å; I1058-T1062 HydrophobicContact CG2-CG2 4.06Å; E1059-T1062 PolarHBondContact N-OG1 3.37Å; E1059-T1062 VanDerWaalsContact O-CB 3.22Å; E1059-T1062 WeakPolarHBondContact O-CB 3.21Å; E1059-T1062 PolarHBondContact O-N 3.42Å; E1059-T1062 PolarHBondContact O-OG1 3Å; R1060-T1062 PolarHBondContact O-N 2.95Å; T1062-V1066 HydrophobicContact CG2-CB 4.09Å; T1062-V1066 HydrophobicContact CG2-CG1 3.96Å; T1062-V1066 HydrophobicContact CG2-CG2 3.78Å
1063T73.7Confident85.9Confident38 Ų3836.5 Ų36.523%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-56132.3174.9-39.90000111.3E868 T1034 D1035 N1061E868-T1063 HydrophobicContact CG-CG2 4.43Å; T1034-T1063 HydrophobicContact CG2-CG2 4.28Å; T1034-T1063 WeakPolarHBondContact OG1-CG2 3.1Å; D1035-T1063 CarbonylContact O-C 3.25Å; D1035-T1063 WeakPolarHBondContact O-CA 3.32Å; N1061-T1063 PolarHBondContact O-N 3.28Å
1064V71.8Confident85.7Confident6 Ų636.4 Ų36.44%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-104144.1175.5-69.80000111.2D1035 V1066 Y1122 I1124D1035-V1064 VanDerWaalsContact C-CG2 3.48Å; D1035-V1064 HydrophobicContact CB-CG2 3.9Å; D1035-V1064 VanDerWaalsContact O-CG2 3.25Å; D1035-V1064 WeakPolarHBondContact O-CG2 3.4Å; D1035-V1064 PolarHBondContact O-N 3.27Å; V1064-V1066 HydrophobicContact CG1-CG1 4.37Å; V1064-Y1122 HydrophobicContact CG1-CD1 3.45Å; V1064-Y1122 VanDerWaalsContact CG1-CD1 3.45Å; V1064-Y1122 HydrophobicContact CG1-CE1 3.99Å; V1064-Y1122 HydrophobicContact CG1-CG 4.33Å; V1064-I1124 HydrophobicContact CG2-CG2 4.22Å
1065P72.8Confident85.5Confident63 Ų6341.3 Ų41.341%0.40922%0.221SC..SBendcis-82.9144.69.435.9-35.7000113.3Y1122 L1166P1065-Y1122 CarbonylContact C-O 3.57Å; P1065-Y1122 VanDerWaalsContact CA-O 3.28Å; P1065-Y1122 WeakPolarHBondContact CA-O 3.4Å; P1065-L1166 HydrophobicContact CB-CD1 3.7Å; P1065-L1166 HydrophobicContact CG-CD1 3.93Å
1066V79.2Confident85.2Confident19 Ų1945.7 Ų45.712%0.11524%0.241CC..EExtended strand (participates in β ladder)trans-139.1151.4-176.969.50000112.3I1058 T1062 V1064 R1068 S1121 Y1122I1058-V1066 HydrophobicContact CD1-CG1 3.86Å; I1058-V1066 HydrophobicContact CG1-CG1 4.27Å; I1058-V1066 HydrophobicContact CG2-CG1 4.03Å; T1062-V1066 HydrophobicContact CG2-CB 4.09Å; T1062-V1066 HydrophobicContact CG2-CG1 3.96Å; T1062-V1066 HydrophobicContact CG2-CG2 3.78Å; V1064-V1066 HydrophobicContact CG1-CG1 4.37Å; V1066-R1068 HydrophobicContact CG2-CG 4.11Å; V1066-S1121 CarbonylContact O-C 3.26Å; V1066-S1121 VanDerWaalsContact O-CA 3.3Å; V1066-S1121 WeakPolarHBondContact O-CA 3.47Å; V1066-Y1122 PolarHBondContact N-O 3.22Å; V1066-Y1122 PolarHBondContact O-N 2.94Å
1067S85.3Confident84.9Confident26 Ų2646 Ų4618%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-128.6127.7164.8-163.40000109.8R1119 F1120 S1121S1067-R1119 WeakPolarHBondContact OG-CD 3.27Å; S1067-R1119 WeakPolarHBondContact OG-CG 3.1Å; S1067-F1120 CarbonylContact C-O 3.59Å; S1067-F1120 WeakPolarHBondContact CA-O 3.45Å; S1067-S1121 PolarHBondContact OG-OG 3.4Å
1068R85.8Confident84.7Confident46 Ų4650.6 Ų50.617%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-129.7148.9177.7-67.4-57.9-171.5113.6-6.2109.9I1057 I1058 V1066 R1119 F1120 D1213I1057-R1068 HydrophobicContact CG2-CB 3.94Å; I1057-R1068 WeakPolarHBondContact O-CB 3.27Å; I1057-R1068 WeakPolarHBondContact O-CG 3.47Å; I1058-R1068 HydrophobicContact CG1-CB 3.97Å; I1058-R1068 HydrophobicContact CG1-CG 3.97Å; V1066-R1068 HydrophobicContact CG2-CG 4.11Å; R1068-R1119 CarbonylContact O-C 3.59Å; R1068-R1119 WeakPolarHBondContact O-CA 3.37Å; R1068-R1119 WeakPolarHBondContact O-CG 3.33Å; R1068-F1120 PolarHBondContact N-O 3.42Å; R1068-F1120 PolarHBondContact O-N 3.45Å; R1068-D1213 IonicContact CZ-OD1 2.71Å; R1068-D1213 IonicContact CZ-OD2 3.38Å; R1068-D1213 VanDerWaalsContact CZ-OD2 3.3Å; R1068-D1213 VanDerWaalsContact NH1-CB 3.29Å; R1068-D1213 IonicContact NH1-OD1 2.71Å; R1068-D1213 IonicContact NH1-OD2 3.74Å; R1068-D1213 PolarHBondContact NH1-OD2 3.38Å; R1068-D1213 IonicContact NH2-OD1 3.16Å; R1068-D1213 PolarHBondContact NH2-OD1 3.23Å; R1068-D1213 IonicContact NH2-OD2 3.15Å; R1068-D1213 PolarHBondContact NH2-OD2 3.15Å
1069V89Confident84.8Confident9 Ų951.8 Ų51.86%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-142.7127.2-177.255.70000111.1D1117 I1118 R1119 Y1169 N1212V1069-D1117 HydrophobicContact CG2-CB 3.88Å; V1069-I1118 WeakPolarHBondContact CA-O 3.37Å; V1069-R1119 HydrophobicContact CB-CB 3.83Å; V1069-R1119 HydrophobicContact CB-CG 4.19Å; V1069-R1119 HydrophobicContact CG2-CB 3.91Å; V1069-Y1169 HydrophobicContact CB-CE1 4.48Å; V1069-Y1169 HydrophobicContact CG1-CD1 3.81Å; V1069-Y1169 HydrophobicContact CG1-CE1 3.51Å; V1069-Y1169 HydrophobicContact CG2-CE1 4.24Å; V1069-N1212 HydrophobicContact CG1-CB 3.74Å; V1069-N1212 PolarHBondContact O-ND2 2.98Å
1070E89.9Confident84.9Confident82 Ų8251 Ų5138%0.38327%0.269SS..EExtended strand (participates in β ladder)trans-116141.1177.3-80.9-65.9164.800109.9I1057 Y1072 I1118I1057-E1070 HydrophobicContact CD1-CB 4.4Å; I1057-E1070 HydrophobicContact CG1-CB 4.13Å; I1057-E1070 HydrophobicContact CG1-CG 4.07Å; I1057-E1070 HydrophobicContact CG2-CG 4.36Å; E1070-Y1072 HydrophobicContact CB-CE2 3.68Å; E1070-Y1072 WeakPolarHBondContact CB-OH 3.38Å; E1070-I1118 PolarHBondContact N-O 2.91Å; E1070-I1118 PolarHBondContact O-N 3.04Å
1071T90.1Very high85.3Confident70 Ų7050.1 Ų50.143%0.42927%0.273SS..EExtended strand (participates in β ladder)trans-100.9121.5-177.4-56.70000110.2S1115 D1117T1071-S1115 WeakPolarHBondContact CG2-OG 3.45Å; T1071-D1117 WeakPolarHBondContact CB-OD1 3.39Å; T1071-D1117 WeakPolarHBondContact CG2-OD1 3.18Å; T1071-D1117 PolarHBondContact OG1-OD1 2.62Å
1072Y92.4Very high86.2Confident45 Ų4550.2 Ų50.218%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-113.3174176.6-57.5-73.9000110.6V1043 V1045 S1055 I1057 E1070 I1116 I1118V1043-Y1072 HydrophobicContact CG2-CE1 4.38Å; V1043-Y1072 HydrophobicContact CG2-CE2 3.87Å; V1045-Y1072 HydrophobicContact CG1-CD1 3.87Å; V1045-Y1072 HydrophobicContact CG1-CE1 3.51Å; S1055-Y1072 PolarHBondContact OG-OH 2.94Å; I1057-Y1072 HydrophobicContact CD1-CE2 4.1Å; E1070-Y1072 HydrophobicContact CB-CE2 3.68Å; E1070-Y1072 WeakPolarHBondContact CB-OH 3.38Å; Y1072-I1116 PolarHBondContact N-O 2.87Å; Y1072-I1116 PolarHBondContact O-N 3.24Å; Y1072-I1118 HydrophobicContact CD2-CB 4.06Å; Y1072-I1118 HydrophobicContact CD2-CD1 3.71Å; Y1072-I1118 HydrophobicContact CD2-CG1 3.85Å; Y1072-I1118 HydrophobicContact CE2-CB 3.99Å; Y1072-I1118 HydrophobicContact CE2-CD1 4.06Å; Y1072-I1118 HydrophobicContact CE2-CG1 4.23Å
1073S90.7Very high87Confident78 Ų7852.7 Ų52.755%0.54529%0.288SS..EExtended strand (participates in β ladder)trans-133.9162.1175.472.10000112Q1114S1073-Q1114 VanDerWaalsContact CA-O 3.25Å; S1073-Q1114 WeakPolarHBondContact CA-O 3.49Å
1074T91.9Very high88Confident4 Ų451.1 Ų51.13%0.02528%0.279CS..  trans-59.1156.5166.555.50000111.9H1076 Q1079 L1107 Y1113 Q1114 I1116T1074-H1076 PolarHBondContact OG1-O 2.84Å; T1074-Q1079 HydrophobicContact CG2-CB 4.16Å; T1074-Q1079 HydrophobicContact CG2-CG 4.46Å; T1074-L1107 HydrophobicContact CG2-CD1 3.36Å; T1074-Y1113 VanDerWaalsContact O-CD1 3.25Å; T1074-Y1113 WeakPolarHBondContact O-CD1 3.45Å; T1074-Y1113 WeakPolarHBondContact O-CE1 3.32Å; T1074-Y1113 WeakPolarHBondContact OG1-CA 3.31Å; T1074-Q1114 HydrophobicContact CG2-CB 4.03Å; T1074-Q1114 PolarHBondContact N-O 3.19Å; T1074-Q1114 VanDerWaalsContact N-O 3.13Å; T1074-Q1114 PolarHBondContact OG1-N 3.38Å; T1074-Q1114 VanDerWaalsContact OG1-N 3.15Å; T1074-I1116 HydrophobicContact CG2-CD1 4.09Å
1075M89.9Confident89Confident116 Ų11652.3 Ų52.357%0.57129%0.285SS*.SBendtrans-82.1-26.6175.1-68.7-17562.900112.2N1046 Y1113N1046-M1075 HydrophobicContact CB-CE 4.01Å; N1046-M1075 HydrophobicContact CB-SD 4.07Å; N1046-M1075 WeakPolarHBondContact ND2-CE 3.49Å; M1075-Y1113 WeakPolarHBondContact O-CE1 3.29Å; M1075-Y1113 PolarHBondContact O-OH 3.3Å
1076H89.1Confident90.1Very high97 Ų9749.3 Ų49.345%0.44927%0.266SS..SBendtrans-150.1159.6174.554.373.2000112.8T1074 E1078 Q1079T1074-H1076 PolarHBondContact OG1-O 2.84Å; H1076-E1078 VanDerWaalsContact C-N 3.32Å; H1076-E1078 PolarHBondContact O-N 3.49Å; H1076-Q1079 PolarHBondContact ND1-N 2.75Å; H1076-Q1079 WeakPolarHBondContact O-CB 3.29Å; H1076-Q1079 PolarHBondContact O-N 2.86Å
1077P87.6Confident90.7Very high41 Ų4149.7 Ų49.727%0.26627%0.265SS..THydrogen-bonded Turntrans-67.4-23.1-171.5-22.634.5000116.3G1111 A1112 Y1113P1077-G1111 VanDerWaalsContact CB-C 3.43Å; P1077-G1111 WeakPolarHBondContact CB-O 3.46Å; P1077-G1111 PolarHBondContact O-N 2.75Å; P1077-A1112 WeakPolarHBondContact CA-O 3.38Å; P1077-Y1113 HydrophobicContact CG-CD2 4.09Å; P1077-Y1113 HydrophobicContact CG-CE2 3.82Å
1078E88.8Confident90.9Very high108 Ų10849.4 Ų49.451%0.50526%0.261SS..THydrogen-bonded Turntrans-97.516.5-177.9-67.1-60.2146.300113.9H1076 K1109 G1111H1076-E1078 VanDerWaalsContact C-N 3.32Å; H1076-E1078 PolarHBondContact O-N 3.49Å; E1078-K1109 WeakPolarHBondContact O-CE 3.48Å; E1078-G1111 WeakPolarHBondContact OE1-CA 3.38Å
1079Q90.1Very high90.9Very high26 Ų2647.7 Ų47.712%0.12126%0.257CS..  trans-72.4129.7-176.2-169.1167-13.900111.8T1074 H1076 S1081 L1107T1074-Q1079 HydrophobicContact CG2-CB 4.16Å; T1074-Q1079 HydrophobicContact CG2-CG 4.46Å; H1076-Q1079 PolarHBondContact ND1-N 2.75Å; H1076-Q1079 WeakPolarHBondContact O-CB 3.29Å; H1076-Q1079 PolarHBondContact O-N 2.86Å; Q1079-S1081 WeakPolarHBondContact CG-O 3.5Å; Q1079-S1081 PolarHBondContact NE2-O 2.89Å; Q1079-L1107 HydrophobicContact CG-CD1 4.44Å
1080D90.4Very high90.8Very high83 Ų8351 Ų5144%0.44427%0.272SS..  trans-110.3-4.3-178.139.613.9000115P1106 L1107 K1109D1080-P1106 CarbonylContact O-C 3.25Å; D1080-P1106 WeakPolarHBondContact O-CA 3.33Å; D1080-L1107 PolarHBondContact O-N 3.39Å; D1080-K1109 HydrophobicContact CB-CG 4.26Å; D1080-K1109 WeakPolarHBondContact OD2-CE 3.47Å; D1080-K1109 IonicContact OD2-NZ 3.94Å; D1080-K1109 PolarHBondContact OD2-NZ 3.02Å
1081S92.1Very high90.8Very high52 Ų5250.3 Ų50.336%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-152.2160.2167.965.20000112.4Q1079 V1105Q1079-S1081 WeakPolarHBondContact CG-O 3.5Å; Q1079-S1081 PolarHBondContact NE2-O 2.89Å; S1081-V1105 CarbonylContact C-O 3.56Å; S1081-V1105 VanDerWaalsContact CA-O 3.31Å; S1081-V1105 WeakPolarHBondContact CA-O 3.33Å
1082I92.4Very high90.8Very high20 Ų2052.8 Ų52.810%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-123.3149.6162.261.4-179.7000108.8V1084 D1104 V1105 L1107 I1116 V1132I1082-V1084 HydrophobicContact CD1-CG2 4.2Å; I1082-V1084 HydrophobicContact CG1-CG2 4.39Å; I1082-D1104 CarbonylContact O-C 3.54Å; I1082-D1104 WeakPolarHBondContact O-CA 3.49Å; I1082-V1105 HydrophobicContact CD1-CB 4.23Å; I1082-V1105 HydrophobicContact CG1-CB 3.78Å; I1082-V1105 HydrophobicContact CG1-CG1 4.39Å; I1082-V1105 PolarHBondContact N-O 2.91Å; I1082-V1105 PolarHBondContact O-N 3.22Å; I1082-L1107 HydrophobicContact CG2-CD1 3.9Å; I1082-L1107 HydrophobicContact CG2-CG 4.47Å; I1082-I1116 HydrophobicContact CD1-CD1 3.93Å; I1082-I1116 HydrophobicContact CD1-CG2 3.82Å; I1082-I1116 HydrophobicContact CG2-CD1 3.88Å; I1082-V1132 HydrophobicContact CD1-CG1 4.08Å
1083T93.4Very high90.7Very high77 Ų7756 Ų5647%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-106.9125.3167.9-51.50000107.7D1104T1083-D1104 VanDerWaalsContact CB-OD1 3.32Å; T1083-D1104 WeakPolarHBondContact CB-OD1 3.37Å; T1083-D1104 WeakPolarHBondContact CG2-OD1 3.33Å; T1083-D1104 PolarHBondContact OG1-OD1 2.88Å
1084V94.5Very high90.8Very high5 Ų552.7 Ų52.73%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-101.6103.9177.3-1780000108.2V1043 I1082 V1086 S1102 F1103 I1118 V1132V1043-V1084 HydrophobicContact CG1-CG1 3.91Å; I1082-V1084 HydrophobicContact CD1-CG2 4.2Å; I1082-V1084 HydrophobicContact CG1-CG2 4.39Å; V1084-V1086 HydrophobicContact CG1-CG2 4.28Å; V1084-S1102 WeakPolarHBondContact O-CA 3.38Å; V1084-F1103 HydrophobicContact CB-CD1 4.45Å; V1084-F1103 HydrophobicContact CB-CD2 4.49Å; V1084-F1103 HydrophobicContact CB-CE1 4.05Å; V1084-F1103 HydrophobicContact CB-CE2 4.09Å; V1084-F1103 HydrophobicContact CB-CZ 3.87Å; V1084-F1103 HydrophobicContact CG1-CE1 4.04Å; V1084-F1103 HydrophobicContact CG1-CZ 3.93Å; V1084-F1103 HydrophobicContact CG2-CE2 4.3Å; V1084-F1103 HydrophobicContact CG2-CZ 4.4Å; V1084-F1103 PolarHBondContact N-O 3.02Å; V1084-F1103 PolarHBondContact O-N 3.2Å; V1084-F1103 VanDerWaalsContact O-N 3.15Å; V1084-I1118 HydrophobicContact CG1-CD1 4.28Å; V1084-I1118 HydrophobicContact CG2-CD1 4.08Å; V1084-V1132 HydrophobicContact CG2-CG2 4.13Å
1085N94.9Very high90.7Very high31 Ų3160.3 Ų60.317%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-94.3112.6173.2-63.4-27.9000109V1043 E1044 Y1087 L1099 S1102V1043-N1085 VanDerWaalsContact CA-O 3.25Å; V1043-N1085 WeakPolarHBondContact CA-O 3.49Å; E1044-N1085 HydrophobicContact CB-CB 4.05Å; E1044-N1085 PolarHBondContact N-O 3.46Å; E1044-N1085 VanDerWaalsContact N-O 3.08Å; E1044-N1085 PolarHBondContact OE2-ND2 3.37Å; N1085-Y1087 HydrophobicContact CB-CD2 4.17Å; N1085-Y1087 HydrophobicContact CB-CE2 3.62Å; N1085-L1099 HydrophobicContact CB-CD1 4.16Å; N1085-S1102 WeakPolarHBondContact OD1-CB 3.31Å; N1085-S1102 PolarHBondContact OD1-OG 3.27Å
1086V93.9Very high90.7Very high0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-89.4129.2179.8-178.10000109.3G1042 V1084 L1099 V1100 E1101 F1103 F1120 L1128 V1130 I1144G1042-V1086 WeakPolarHBondContact O-CA 3.35Å; V1084-V1086 HydrophobicContact CG1-CG2 4.28Å; V1086-L1099 WeakPolarHBondContact O-CD1 3.36Å; V1086-V1100 HydrophobicContact CB-CB 4.29Å; V1086-V1100 HydrophobicContact CG1-CB 4.02Å; V1086-V1100 HydrophobicContact CG1-CG1 4.3Å; V1086-V1100 HydrophobicContact CG1-CG2 4.5Å; V1086-V1100 WeakPolarHBondContact O-CB 3.43Å; V1086-V1100 PolarHBondContact O-N 3.03Å; V1086-E1101 HydrophobicContact CB-CB 4.45Å; V1086-E1101 PolarHBondContact N-O 3.31Å; V1086-E1101 PolarHBondContact O-N 3.48Å; V1086-F1103 HydrophobicContact CG2-CE1 4.28Å; V1086-F1120 HydrophobicContact CB-CZ 4.44Å; V1086-F1120 HydrophobicContact CG1-CE2 3.89Å; V1086-F1120 HydrophobicContact CG1-CZ 3.78Å; V1086-F1120 HydrophobicContact CG2-CZ 4.08Å; V1086-L1128 HydrophobicContact CG1-CD2 4.2Å; V1086-V1130 HydrophobicContact CG2-CG2 4.24Å; V1086-I1144 HydrophobicContact CB-CD1 4.41Å; V1086-I1144 HydrophobicContact CG1-CD1 4.28Å; V1086-I1144 HydrophobicContact CG2-CD1 4.21Å
1087Y93Very high90.7Very high28 Ų2855.2 Ų55.211%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-128.4149.6-177-78.9-87000112.2L1041 G1042 E1044 F1054 N1085 V1094 N1097 I1098 L1099L1041-Y1087 WeakPolarHBondContact CA-O 3.48Å; G1042-Y1087 PolarHBondContact N-O 3.46Å; G1042-Y1087 PolarHBondContact O-N 3.38Å; E1044-Y1087 HydrophobicContact CB-CD2 4.33Å; E1044-Y1087 HydrophobicContact CB-CE2 4.01Å; F1054-Y1087 WeakPolarHBondContact CE2-O 3.13Å; N1085-Y1087 HydrophobicContact CB-CD2 4.17Å; N1085-Y1087 HydrophobicContact CB-CE2 3.62Å; Y1087-V1094 HydrophobicContact CD1-CB 3.99Å; Y1087-V1094 HydrophobicContact CD2-CB 3.92Å; Y1087-V1094 HydrophobicContact CD2-CG1 3.88Å; Y1087-V1094 HydrophobicContact CE1-CB 3.75Å; Y1087-V1094 HydrophobicContact CE1-CG2 4.32Å; Y1087-V1094 WeakPolarHBondContact CE1-O 3.47Å; Y1087-V1094 HydrophobicContact CE2-CB 3.64Å; Y1087-V1094 HydrophobicContact CE2-CG1 3.93Å; Y1087-V1094 HydrophobicContact CE2-CG2 3.99Å; Y1087-V1094 HydrophobicContact CG-CB 4.09Å; Y1087-V1094 HydrophobicContact CG-CG1 4.25Å; Y1087-N1097 HydrophobicContact CD1-CB 4.05Å; Y1087-I1098 CarbonylContact C-O 3.57Å; Y1087-I1098 VanDerWaalsContact CA-O 3.32Å; Y1087-I1098 WeakPolarHBondContact CA-O 3.14Å; Y1087-I1098 WeakPolarHBondContact CD1-O 3.37Å; Y1087-L1099 HydrophobicContact CD1-CB 4.14Å; Y1087-L1099 HydrophobicContact CD1-CD1 4.38Å; Y1087-L1099 HydrophobicContact CD2-CD1 4.24Å; Y1087-L1099 HydrophobicContact CE1-CB 3.64Å; Y1087-L1099 HydrophobicContact CE1-CD1 3.9Å; Y1087-L1099 HydrophobicContact CE1-CG 4.37Å; Y1087-L1099 HydrophobicContact CE2-CD1 3.76Å
1088Q89.6Confident90.6Very high20 Ų2058.7 Ų58.79%0.09330%0.295CS..EExtended strand (participates in β ladder)trans-119.2127.7172.9-179.3179.2-26.700110.3Y1039 S1040 L1041 N1097 I1098 V1100 H1146Y1039-Q1088 HydrophobicContact CG-CG 4.21Å; S1040-Q1088 WeakPolarHBondContact O-CA 3.14Å; L1041-Q1088 HydrophobicContact CD2-CB 3.9Å; L1041-Q1088 HydrophobicContact CD2-CG 4Å; Q1088-N1097 WeakPolarHBondContact O-CB 3.47Å; Q1088-I1098 PolarHBondContact N-O 3.16Å; Q1088-I1098 PolarHBondContact O-N 3.27Å; Q1088-V1100 HydrophobicContact CB-CG2 3.78Å; Q1088-H1146 PolarHBondContact OE1-CE1 2.86Å; Q1088-H1146 VanDerWaalsContact OE1-CE1 3.27Å
1089G85.4Confident90.7Very high9 Ų958 Ų589%0.09329%0.294CS..SBendtrans134.1177.4171.400000115.2S1040 F1054 N1097S1040-G1089 PolarHBondContact O-N 3Å; F1054-G1089 WeakPolarHBondContact CE1-O 3.3Å; G1089-N1097 PolarHBondContact O-ND2 3.46Å; G1089-N1097 VanDerWaalsContact O-ND2 3.11Å
1090E86.5Confident90.6Very high78 Ų7858.5 Ų58.536%0.36430%0.299SS..SBendtrans-99.1-5.2-163.1-49.3-57.6119.900114.8S1040 R1060 N1097S1040-E1090 PolarHBondContact N-OE1 3.37Å; R1060-E1090 VanDerWaalsContact CD-OE2 3.27Å; R1060-E1090 WeakPolarHBondContact CD-OE2 3.4Å; R1060-E1090 IonicContact CZ-OE2 4Å; R1060-E1090 IonicContact NE-OE2 3.04Å; R1060-E1090 IonicContact NH1-OE2 3.83Å; R1060-E1090 PolarHBondContact NH1-OE2 3.2Å; E1090-N1097 PolarHBondContact N-OD1 3.12Å
1091N89.8Confident90.5Very high68 Ų6858.7 Ų58.736%0.36430%0.297SS..  trans-82.3136.8-174.2-65.2-97.1000111.9F1054 K1093 N1096 N1097F1054-N1091 WeakPolarHBondContact CB-O 3.27Å; N1091-K1093 PolarHBondContact O-N 3.44Å; N1091-K1093 VanDerWaalsContact O-N 3.08Å; N1091-N1096 HydrophobicContact CB-CB 3.54Å; N1091-N1096 VanDerWaalsContact CG-CB 3.43Å; N1091-N1096 PolarHBondContact ND2-O 3.39Å; N1091-N1097 WeakPolarHBondContact CA-OD1 3.47Å; N1091-N1097 VanDerWaalsContact CB-OD1 3.23Å; N1091-N1097 WeakPolarHBondContact CB-OD1 3.28Å; N1091-N1097 PolarHBondContact N-OD1 3.26Å; N1091-N1097 PolarHBondContact ND2-OD1 3.24Å; N1091-N1097 PolarHBondContact O-ND2 3.32Å; N1091-N1097 VanDerWaalsContact O-ND2 3.12Å
1092H90.2Very high90.6Very high123 Ų12358.8 Ų58.857%0.56930%0.298SS*.SBendtrans-57.4-25.3174.9178.156.6000114.6F1054F1054-H1092 PolarHBondContact N-O 3.27Å
1093K91.3Very high90.6Very high113 Ų11358.6 Ų58.649%0.49130%0.297SS..BIsolated β-bridgetrans-108.5123.7177.1-66.2-169.7176.2-172.30110.5G1052 N1091 K1095 N1096G1052-K1093 WeakPolarHBondContact O-CA 3.49Å; N1091-K1093 PolarHBondContact O-N 3.44Å; N1091-K1093 VanDerWaalsContact O-N 3.08Å; K1093-K1095 HydrophobicContact CB-CG 4.08Å; K1093-K1095 PolarHBondContact O-N 3.03Å; K1093-N1096 PolarHBondContact O-N 3.19Å
1094V91.7Very high90.6Very high8 Ų860 Ų605%0.04830%0.301CS..G310 helixtrans-58.5-27.7-174.1-57.60000113.8E1044 G1052 F1054 Y1087 N1096 N1097E1044-V1094 HydrophobicContact CB-CG1 4.04Å; E1044-V1094 HydrophobicContact CG-CG1 4.07Å; E1044-V1094 HydrophobicContact CG-CG2 4.2Å; G1052-V1094 PolarHBondContact O-N 2.94Å; F1054-V1094 HydrophobicContact CB-CG1 3.89Å; F1054-V1094 HydrophobicContact CD2-CG1 4.39Å; Y1087-V1094 HydrophobicContact CD1-CB 3.99Å; Y1087-V1094 HydrophobicContact CD2-CB 3.92Å; Y1087-V1094 HydrophobicContact CD2-CG1 3.88Å; Y1087-V1094 HydrophobicContact CE1-CB 3.75Å; Y1087-V1094 HydrophobicContact CE1-CG2 4.32Å; Y1087-V1094 WeakPolarHBondContact CE1-O 3.47Å; Y1087-V1094 HydrophobicContact CE2-CB 3.64Å; Y1087-V1094 HydrophobicContact CE2-CG1 3.93Å; Y1087-V1094 HydrophobicContact CE2-CG2 3.99Å; Y1087-V1094 HydrophobicContact CG-CB 4.09Å; Y1087-V1094 HydrophobicContact CG-CG1 4.25Å; V1094-N1096 PolarHBondContact O-N 3.07Å; V1094-N1097 PolarHBondContact O-N 2.94Å
1095K90.9Very high90.5Very high164 Ų16459.9 Ų59.971%0.71330%0.301SS*.G310 helixtrans-61.8-11.8174.666.2151.7-161162.10115.4K1093K1093-K1095 HydrophobicContact CB-CG 4.08Å; K1093-K1095 PolarHBondContact O-N 3.03Å
1096N89Confident90.3Very high87 Ų8762.5 Ų62.547%0.46532%0.319SS..G310 helixtrans-108.91.7175.7-68.412.2000111.7N1091 K1093 V1094N1091-N1096 HydrophobicContact CB-CB 3.54Å; N1091-N1096 VanDerWaalsContact CG-CB 3.43Å; N1091-N1096 PolarHBondContact ND2-O 3.39Å; K1093-N1096 PolarHBondContact O-N 3.19Å; V1094-N1096 PolarHBondContact O-N 3.07Å
1097N88.4Confident90.1Very high19 Ų1963.3 Ų63.310%0.10232%0.323CS..SBendtrans-108.2166.2175.4-75.6-5.4000109.7F1054 Y1087 Q1088 G1089 E1090 N1091 V1094F1054-N1097 WeakPolarHBondContact CD1-ND2 3.14Å; F1054-N1097 WeakPolarHBondContact CG-ND2 3.28Å; Y1087-N1097 HydrophobicContact CD1-CB 4.05Å; Q1088-N1097 WeakPolarHBondContact O-CB 3.47Å; G1089-N1097 PolarHBondContact O-ND2 3.46Å; G1089-N1097 VanDerWaalsContact O-ND2 3.11Å; E1090-N1097 PolarHBondContact N-OD1 3.12Å; N1091-N1097 WeakPolarHBondContact CA-OD1 3.47Å; N1091-N1097 VanDerWaalsContact CB-OD1 3.23Å; N1091-N1097 WeakPolarHBondContact CB-OD1 3.28Å; N1091-N1097 PolarHBondContact N-OD1 3.26Å; N1091-N1097 PolarHBondContact ND2-OD1 3.24Å; N1091-N1097 PolarHBondContact O-ND2 3.32Å; N1091-N1097 VanDerWaalsContact O-ND2 3.12Å; V1094-N1097 PolarHBondContact O-N 2.94Å
1098I86.4Confident89.7Confident114 Ų11468.4 Ų68.459%0.58535%0.346SS*.EExtended strand (participates in β ladder)trans-84.1122.5178.3-58.7174000108Y1087 Q1088Y1087-I1098 CarbonylContact C-O 3.57Å; Y1087-I1098 VanDerWaalsContact CA-O 3.32Å; Y1087-I1098 WeakPolarHBondContact CA-O 3.14Å; Y1087-I1098 WeakPolarHBondContact CD1-O 3.37Å; Q1088-I1098 PolarHBondContact N-O 3.16Å; Q1088-I1098 PolarHBondContact O-N 3.27Å
1099L90.7Very high89.5Confident92 Ų9273 Ų7348%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-72.1125.9168.5178.570.6000108.2N1085 V1086 Y1087N1085-L1099 HydrophobicContact CB-CD1 4.16Å; V1086-L1099 WeakPolarHBondContact O-CD1 3.36Å; Y1087-L1099 HydrophobicContact CD1-CB 4.14Å; Y1087-L1099 HydrophobicContact CD1-CD1 4.38Å; Y1087-L1099 HydrophobicContact CD2-CD1 4.24Å; Y1087-L1099 HydrophobicContact CE1-CB 3.64Å; Y1087-L1099 HydrophobicContact CE1-CD1 3.9Å; Y1087-L1099 HydrophobicContact CE1-CG 4.37Å; Y1087-L1099 HydrophobicContact CE2-CD1 3.76Å
1100V87.5Confident89.4Confident37 Ų3776.3 Ų76.322%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-94.4-52.8-179.5175.40000110.5V1086 Q1088 I1144 H1146V1086-V1100 HydrophobicContact CB-CB 4.29Å; V1086-V1100 HydrophobicContact CG1-CB 4.02Å; V1086-V1100 HydrophobicContact CG1-CG1 4.3Å; V1086-V1100 HydrophobicContact CG1-CG2 4.5Å; V1086-V1100 WeakPolarHBondContact O-CB 3.43Å; V1086-V1100 PolarHBondContact O-N 3.03Å; Q1088-V1100 HydrophobicContact CB-CG2 3.78Å; V1100-I1144 HydrophobicContact CG1-CD1 4.24Å; V1100-I1144 HydrophobicContact CG1-CG2 3.67Å; V1100-H1146 VanDerWaalsContact CG1-NE2 3.27Å; V1100-H1146 WeakPolarHBondContact CG1-NE2 3.36Å
1101E89.9Confident89.3Confident87 Ų8774.7 Ų74.741%0.40739%0.389SS..EExtended strand (participates in β ladder)trans-157.2155.4-174.2-176.257.3-74.100110.5V1086 F1103 I1144V1086-E1101 HydrophobicContact CB-CB 4.45Å; V1086-E1101 PolarHBondContact N-O 3.31Å; V1086-E1101 PolarHBondContact O-N 3.48Å; E1101-F1103 HydrophobicContact CG-CD1 4.3Å; E1101-I1144 HydrophobicContact CB-CD1 3.57Å; E1101-I1144 HydrophobicContact CB-CG1 4.05Å; E1101-I1144 HydrophobicContact CG-CD1 4Å; E1101-I1144 HydrophobicContact CG-CG1 4.11Å
1102S92.7Very high89.1Confident55 Ų5573.9 Ų73.939%0.38539%0.391SS..EExtended strand (participates in β ladder)trans-140.5128.7175.9-1780000111.3V1084 N1085V1084-S1102 WeakPolarHBondContact O-CA 3.38Å; N1085-S1102 WeakPolarHBondContact OD1-CB 3.31Å; N1085-S1102 PolarHBondContact OD1-OG 3.27Å
1103F93.6Very high89.1Confident15 Ų1574.6 Ų74.67%0.06639%0.39CS..EExtended strand (participates in β ladder)trans-149.8147.1178.262.7-85.1000114V1084 V1086 E1101 V1105 V1130 V1132 R1142V1084-F1103 HydrophobicContact CB-CD1 4.45Å; V1084-F1103 HydrophobicContact CB-CD2 4.49Å; V1084-F1103 HydrophobicContact CB-CE1 4.05Å; V1084-F1103 HydrophobicContact CB-CE2 4.09Å; V1084-F1103 HydrophobicContact CB-CZ 3.87Å; V1084-F1103 HydrophobicContact CG1-CE1 4.04Å; V1084-F1103 HydrophobicContact CG1-CZ 3.93Å; V1084-F1103 HydrophobicContact CG2-CE2 4.3Å; V1084-F1103 HydrophobicContact CG2-CZ 4.4Å; V1084-F1103 PolarHBondContact N-O 3.02Å; V1084-F1103 PolarHBondContact O-N 3.2Å; V1084-F1103 VanDerWaalsContact O-N 3.15Å; V1086-F1103 HydrophobicContact CG2-CE1 4.28Å; E1101-F1103 HydrophobicContact CG-CD1 4.3Å; F1103-V1105 HydrophobicContact CD2-CG2 3.97Å; F1103-V1105 HydrophobicContact CE2-CG2 3.85Å; F1103-V1130 HydrophobicContact CE1-CG1 4.35Å; F1103-V1130 HydrophobicContact CZ-CB 4.36Å; F1103-V1130 HydrophobicContact CZ-CG1 3.9Å; F1103-V1132 HydrophobicContact CE2-CG2 4.02Å; F1103-V1132 HydrophobicContact CZ-CG2 4.16Å; F1103-R1142 HydrophobicContact CB-CG 4.49Å; F1103-R1142 HydrophobicContact CD1-CB 4.3Å; F1103-R1142 HydrophobicContact CD1-CG 3.72Å; F1103-R1142 HydrophobicContact CD2-CG 3.71Å; F1103-R1142 HydrophobicContact CE1-CB 3.91Å; F1103-R1142 HydrophobicContact CE1-CG 3.71Å; F1103-R1142 HydrophobicContact CE2-CB 4.46Å; F1103-R1142 HydrophobicContact CE2-CG 3.69Å; F1103-R1142 HydrophobicContact CG-CG 3.71Å; F1103-R1142 HydrophobicContact CZ-CB 3.99Å; F1103-R1142 HydrophobicContact CZ-CG 3.69Å
1104D92.9Very high89Confident107 Ų10769.8 Ų69.857%0.57237%0.37SS*.EExtended strand (participates in β ladder)trans-89.7142.2176.8-66.7-37.5000112.7I1082 T1083I1082-D1104 CarbonylContact O-C 3.54Å; I1082-D1104 WeakPolarHBondContact O-CA 3.49Å; T1083-D1104 VanDerWaalsContact CB-OD1 3.32Å; T1083-D1104 WeakPolarHBondContact CB-OD1 3.37Å; T1083-D1104 WeakPolarHBondContact CG2-OD1 3.33Å; T1083-D1104 PolarHBondContact OG1-OD1 2.88Å
1105V91.7Very high89Confident2 Ų272 Ų721%0.01239%0.385CS..EExtended strand (participates in β ladder)trans-123.7119.7172.1172.90000109.1S1081 I1082 F1103 V1132 L1134 K1140S1081-V1105 CarbonylContact C-O 3.56Å; S1081-V1105 VanDerWaalsContact CA-O 3.31Å; S1081-V1105 WeakPolarHBondContact CA-O 3.33Å; I1082-V1105 HydrophobicContact CD1-CB 4.23Å; I1082-V1105 HydrophobicContact CG1-CB 3.78Å; I1082-V1105 HydrophobicContact CG1-CG1 4.39Å; I1082-V1105 PolarHBondContact N-O 2.91Å; I1082-V1105 PolarHBondContact O-N 3.22Å; F1103-V1105 HydrophobicContact CD2-CG2 3.97Å; F1103-V1105 HydrophobicContact CE2-CG2 3.85Å; V1105-V1132 HydrophobicContact CG1-CG1 4.32Å; V1105-V1132 HydrophobicContact CG2-CB 4.36Å; V1105-V1132 HydrophobicContact CG2-CG1 4.38Å; V1105-V1132 HydrophobicContact CG2-CG2 4.29Å; V1105-L1134 HydrophobicContact CG1-CD1 4.13Å; V1105-L1134 HydrophobicContact CG1-CD2 4.16Å; V1105-K1140 HydrophobicContact CG1-CB 4.39Å; V1105-K1140 HydrophobicContact CG1-CG 4.01Å; V1105-K1140 HydrophobicContact CG2-CB 4.04Å; V1105-K1140 HydrophobicContact CG2-CG 4.36Å
1106P91.4Very high89Confident86 Ų8664.3 Ų64.356%0.55835%0.352SS*.EExtended strand (participates in β ladder)trans-75.6143177.830.7-34.3000111.7D1080D1080-P1106 CarbonylContact O-C 3.25Å; D1080-P1106 WeakPolarHBondContact O-CA 3.33Å
1107L89.4Confident89.2Confident17 Ų1761.2 Ų61.29%0.08934%0.335CS..  trans-113.5155176.7-59.4-176.3000111.3T1074 Q1079 D1080 I1082 I1116 L1134T1074-L1107 HydrophobicContact CG2-CD1 3.36Å; Q1079-L1107 HydrophobicContact CG-CD1 4.44Å; D1080-L1107 PolarHBondContact O-N 3.39Å; I1082-L1107 HydrophobicContact CG2-CD1 3.9Å; I1082-L1107 HydrophobicContact CG2-CG 4.47Å; L1107-I1116 HydrophobicContact CD1-CD1 4.43Å; L1107-L1134 HydrophobicContact CD2-CD1 3.82Å; L1107-L1134 HydrophobicContact CD2-CD2 3.51Å; L1107-L1134 HydrophobicContact CD2-CG 4.29Å
1108K85Confident89.5Confident135 Ų13560.8 Ų60.859%0.58733%0.333SS*.  trans-83138166.3-71.4169.2-178.2158.20109T1110 Q1114 D1136K1108-T1110 PolarHBondContact O-N 2.97Å; K1108-Q1114 PolarHBondContact O-NE2 3.25Å; K1108-Q1114 PolarHBondContact O-OE1 2.93Å; K1108-D1136 WeakPolarHBondContact CE-OD2 3.43Å; K1108-D1136 IonicContact NZ-OD2 3.24Å; K1108-D1136 PolarHBondContact NZ-OD2 3.01Å
1109K84.9Confident89.7Confident116 Ų11656.7 Ų56.750%0.50431%0.31SS..  trans-73.4120171.7-61.5-169.6-178.2-169.10109.5E1078 D1080E1078-K1109 WeakPolarHBondContact O-CE 3.48Å; D1080-K1109 HydrophobicContact CB-CG 4.26Å; D1080-K1109 WeakPolarHBondContact OD2-CE 3.47Å; D1080-K1109 IonicContact OD2-NZ 3.94Å; D1080-K1109 PolarHBondContact OD2-NZ 3.02Å
1110T82.6Confident89.8Confident79 Ų7952.3 Ų52.349%0.48529%0.287SS..  trans-113.3-14.8-179.858.20000113.2K1108 A1112 Q1114K1108-T1110 PolarHBondContact O-N 2.97Å; T1110-A1112 PolarHBondContact O-N 3.45Å; T1110-A1112 PolarHBondContact OG1-N 3.33Å; T1110-A1112 PolarHBondContact OG1-O 3.38Å; T1110-Q1114 HydrophobicContact CG2-CG 4.18Å; T1110-Q1114 PolarHBondContact OG1-NE2 3.17Å
1111G84.4Confident89.8Confident44 Ų4450.6 Ų50.645%0.45428%0.276SS..SBendtrans71.412.2-17000000113.5P1077 E1078P1077-G1111 VanDerWaalsContact CB-C 3.43Å; P1077-G1111 WeakPolarHBondContact CB-O 3.46Å; P1077-G1111 PolarHBondContact O-N 2.75Å; E1078-G1111 WeakPolarHBondContact OE1-CA 3.38Å
1112A87.5Confident89.5Confident51 Ų5147.7 Ų47.742%0.42126%0.262SS..SBendtrans-129.8160.1175.400000111.2P1077 T1110 Q1114P1077-A1112 WeakPolarHBondContact CA-O 3.38Å; T1110-A1112 PolarHBondContact O-N 3.45Å; T1110-A1112 PolarHBondContact OG1-N 3.33Å; T1110-A1112 PolarHBondContact OG1-O 3.38Å; A1112-Q1114 PolarHBondContact O-N 2.88Å
1113Y90.1Very high88.7Confident138 Ų13845.2 Ų45.254%0.54124%0.244SC..PPolyproline II helixtrans-65.1125.9166.4-77.1-85.9000109.1T1074 M1075 P1077T1074-Y1113 VanDerWaalsContact O-CD1 3.25Å; T1074-Y1113 WeakPolarHBondContact O-CD1 3.45Å; T1074-Y1113 WeakPolarHBondContact O-CE1 3.32Å; T1074-Y1113 WeakPolarHBondContact OG1-CA 3.31Å; M1075-Y1113 WeakPolarHBondContact O-CE1 3.29Å; M1075-Y1113 PolarHBondContact O-OH 3.3Å; P1077-Y1113 HydrophobicContact CG-CD2 4.09Å; P1077-Y1113 HydrophobicContact CG-CE2 3.82Å
1114Q88.9Confident87.4Confident13 Ų1347.7 Ų47.76%0.06126%0.258CS..PPolyproline II helixtrans-101140.9-178.8-74.7169.386.500110.8S1073 T1074 K1108 T1110 A1112 E1135S1073-Q1114 VanDerWaalsContact CA-O 3.25Å; S1073-Q1114 WeakPolarHBondContact CA-O 3.49Å; T1074-Q1114 HydrophobicContact CG2-CB 4.03Å; T1074-Q1114 PolarHBondContact N-O 3.19Å; T1074-Q1114 VanDerWaalsContact N-O 3.13Å; T1074-Q1114 PolarHBondContact OG1-N 3.38Å; T1074-Q1114 VanDerWaalsContact OG1-N 3.15Å; K1108-Q1114 PolarHBondContact O-NE2 3.25Å; K1108-Q1114 PolarHBondContact O-OE1 2.93Å; T1110-Q1114 HydrophobicContact CG2-CG 4.18Å; T1110-Q1114 PolarHBondContact OG1-NE2 3.17Å; A1112-Q1114 PolarHBondContact O-N 2.88Å; Q1114-E1135 VanDerWaalsContact CA-OE2 3.22Å; Q1114-E1135 WeakPolarHBondContact CA-OE2 3.4Å
1115S90.4Very high86Confident53 Ų5345.3 Ų45.337%0.37125%0.245SC..EExtended strand (participates in β ladder)trans-84.5137.7174.5-162.20000110.9T1071 E1135T1071-S1115 WeakPolarHBondContact CG2-OG 3.45Å; S1115-E1135 PolarHBondContact N-OE2 3.41Å; S1115-E1135 PolarHBondContact O-N 3.1Å
1116I91.7Very high84.8Confident4 Ų445.6 Ų45.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-135.2111.4-175.8-59.1154.7000108.4Y1072 T1074 I1082 L1107 I1118 V1132 L1134Y1072-I1116 PolarHBondContact N-O 2.87Å; Y1072-I1116 PolarHBondContact O-N 3.24Å; T1074-I1116 HydrophobicContact CG2-CD1 4.09Å; I1082-I1116 HydrophobicContact CD1-CD1 3.93Å; I1082-I1116 HydrophobicContact CD1-CG2 3.82Å; I1082-I1116 HydrophobicContact CG2-CD1 3.88Å; L1107-I1116 HydrophobicContact CD1-CD1 4.43Å; I1116-I1118 HydrophobicContact CG2-CG1 4.1Å; I1116-V1132 HydrophobicContact CG2-CG1 3.71Å; I1116-L1134 HydrophobicContact CG1-CD2 4.27Å; I1116-L1134 HydrophobicContact CG2-CD2 4.23Å
1117D92.9Very high84.2Confident21 Ų2141.5 Ų41.511%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-87.7116.6174.9-85.28.4000108.7V1069 T1071 L1133 Y1169V1069-D1117 HydrophobicContact CG2-CB 3.88Å; T1071-D1117 WeakPolarHBondContact CB-OD1 3.39Å; T1071-D1117 WeakPolarHBondContact CG2-OD1 3.18Å; T1071-D1117 PolarHBondContact OG1-OD1 2.62Å; D1117-L1133 HydrophobicContact CB-CB 4.04Å; D1117-L1133 HydrophobicContact CB-CD2 4.29Å; D1117-L1133 HydrophobicContact CB-CG 4.45Å; D1117-L1133 PolarHBondContact N-O 2.7Å; D1117-L1133 PolarHBondContact O-N 3.33Å; D1117-Y1169 PolarHBondContact OD2-OH 2.92Å
1118I93.8Very high84.1Confident10 Ų1040.7 Ų40.75%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-104.4116.5172.1-57.9-179.7000108.3V1043 I1057 V1069 E1070 Y1072 V1084 I1116 F1120 V1130 V1132V1043-I1118 HydrophobicContact CG1-CG2 4.37Å; I1057-I1118 HydrophobicContact CD1-CB 4.38Å; I1057-I1118 HydrophobicContact CD1-CG2 4.01Å; V1069-I1118 WeakPolarHBondContact CA-O 3.37Å; E1070-I1118 PolarHBondContact N-O 2.91Å; E1070-I1118 PolarHBondContact O-N 3.04Å; Y1072-I1118 HydrophobicContact CD2-CB 4.06Å; Y1072-I1118 HydrophobicContact CD2-CD1 3.71Å; Y1072-I1118 HydrophobicContact CD2-CG1 3.85Å; Y1072-I1118 HydrophobicContact CE2-CB 3.99Å; Y1072-I1118 HydrophobicContact CE2-CD1 4.06Å; Y1072-I1118 HydrophobicContact CE2-CG1 4.23Å; V1084-I1118 HydrophobicContact CG1-CD1 4.28Å; V1084-I1118 HydrophobicContact CG2-CD1 4.08Å; I1116-I1118 HydrophobicContact CG2-CG1 4.1Å; I1118-F1120 HydrophobicContact CG2-CD1 4.02Å; I1118-F1120 HydrophobicContact CG2-CE1 3.73Å; I1118-V1130 HydrophobicContact CG2-CG1 4Å; I1118-V1132 HydrophobicContact CG1-CG1 4.42Å; I1118-V1132 HydrophobicContact CG1-CG2 4.37Å
1119R91.3Very high84.3Confident29 Ų2934.5 Ų34.511%0.10919%0.191CC..EExtended strand (participates in β ladder)trans-109.4128.1-179.5173.8-177.6-65.6-172.7-8.8110.6S1067 R1068 V1069 V1130 D1131 K1167S1067-R1119 WeakPolarHBondContact OG-CD 3.27Å; S1067-R1119 WeakPolarHBondContact OG-CG 3.1Å; R1068-R1119 CarbonylContact O-C 3.59Å; R1068-R1119 WeakPolarHBondContact O-CA 3.37Å; R1068-R1119 WeakPolarHBondContact O-CG 3.33Å; V1069-R1119 HydrophobicContact CB-CB 3.83Å; V1069-R1119 HydrophobicContact CB-CG 4.19Å; V1069-R1119 HydrophobicContact CG2-CB 3.91Å; R1119-V1130 CarbonylContact O-C 3.48Å; R1119-V1130 VanDerWaalsContact O-CA 3.32Å; R1119-V1130 WeakPolarHBondContact O-CA 3.42Å; R1119-D1131 HydrophobicContact CB-CB 4.22Å; R1119-D1131 PolarHBondContact N-O 3.42Å; R1119-D1131 PolarHBondContact O-N 3.21Å; R1119-K1167 PolarHBondContact NH1-O 3.32Å; R1119-K1167 PolarHBondContact NH2-O 3.01Å
1120F93Very high84.7Confident0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-104.1127.2170-77.926.2000108L1041 V1043 I1057 I1058 S1067 R1068 V1086 I1118 L1128 V1130L1041-F1120 HydrophobicContact CB-CD2 3.98Å; L1041-F1120 HydrophobicContact CB-CE2 4.05Å; V1043-F1120 HydrophobicContact CG1-CE1 3.79Å; V1043-F1120 HydrophobicContact CG1-CZ 3.61Å; I1057-F1120 HydrophobicContact CB-CD2 4.31Å; I1057-F1120 HydrophobicContact CB-CG 4.26Å; I1057-F1120 HydrophobicContact CD1-CD1 3.86Å; I1057-F1120 HydrophobicContact CD1-CE1 3.71Å; I1057-F1120 HydrophobicContact CD1-CG 4.38Å; I1057-F1120 HydrophobicContact CD1-CZ 4.09Å; I1057-F1120 HydrophobicContact CG2-CB 4.03Å; I1057-F1120 HydrophobicContact CG2-CD1 4.38Å; I1057-F1120 HydrophobicContact CG2-CG 4.1Å; I1058-F1120 HydrophobicContact CD1-CB 3.59Å; I1058-F1120 HydrophobicContact CG1-CB 3.98Å; S1067-F1120 CarbonylContact C-O 3.59Å; S1067-F1120 WeakPolarHBondContact CA-O 3.45Å; R1068-F1120 PolarHBondContact N-O 3.42Å; R1068-F1120 PolarHBondContact O-N 3.45Å; V1086-F1120 HydrophobicContact CB-CZ 4.44Å; V1086-F1120 HydrophobicContact CG1-CE2 3.89Å; V1086-F1120 HydrophobicContact CG1-CZ 3.78Å; V1086-F1120 HydrophobicContact CG2-CZ 4.08Å; I1118-F1120 HydrophobicContact CG2-CD1 4.02Å; I1118-F1120 HydrophobicContact CG2-CE1 3.73Å; F1120-L1128 HydrophobicContact CB-CD1 3.99Å; F1120-L1128 HydrophobicContact CD2-CD1 3.97Å; F1120-L1128 HydrophobicContact CD2-CD2 4.4Å; F1120-L1128 HydrophobicContact CE2-CD2 4.45Å; F1120-L1128 HydrophobicContact CG-CD1 4.16Å; F1120-V1130 HydrophobicContact CD1-CB 4.32Å; F1120-V1130 HydrophobicContact CD1-CG1 3.87Å; F1120-V1130 HydrophobicContact CD1-CG2 3.84Å; F1120-V1130 HydrophobicContact CE1-CB 4.29Å; F1120-V1130 HydrophobicContact CE1-CG1 3.6Å; F1120-V1130 HydrophobicContact CE1-CG2 3.75Å; F1120-V1130 HydrophobicContact CG-CG2 4.35Å; F1120-V1130 HydrophobicContact CZ-CG2 4.18Å
1121S87Confident85.1Confident0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-122.3116.2174.7-46.60000108.4V1066 S1067 L1128 E1129V1066-S1121 CarbonylContact O-C 3.26Å; V1066-S1121 VanDerWaalsContact O-CA 3.3Å; V1066-S1121 WeakPolarHBondContact O-CA 3.47Å; S1067-S1121 PolarHBondContact OG-OG 3.4Å; S1121-L1128 CarbonylContact O-C 3.47Å; S1121-L1128 WeakPolarHBondContact O-CA 3.31Å; S1121-E1129 PolarHBondContact N-O 2.99Å; S1121-E1129 PolarHBondContact O-N 3.09Å
1122Y83.7Confident85.6Confident27 Ų2723.8 Ų23.811%0.10613%0.125CC..EExtended strand (participates in β ladder)trans-123.3130.2-171.1-169.5-129.4000110.8C1037 L1041 V1064 P1065 V1066 L1127 L1128 H1146C1037-Y1122 VanDerWaalsContact SG-CD1 3.6Å; L1041-Y1122 HydrophobicContact CD1-CD1 4.25Å; L1041-Y1122 HydrophobicContact CD1-CD2 4.49Å; L1041-Y1122 HydrophobicContact CD1-CE1 4.49Å; L1041-Y1122 HydrophobicContact CD1-CG 4.29Å; V1064-Y1122 HydrophobicContact CG1-CD1 3.45Å; V1064-Y1122 VanDerWaalsContact CG1-CD1 3.45Å; V1064-Y1122 HydrophobicContact CG1-CE1 3.99Å; V1064-Y1122 HydrophobicContact CG1-CG 4.33Å; P1065-Y1122 CarbonylContact C-O 3.57Å; P1065-Y1122 VanDerWaalsContact CA-O 3.28Å; P1065-Y1122 WeakPolarHBondContact CA-O 3.4Å; V1066-Y1122 PolarHBondContact N-O 3.22Å; V1066-Y1122 PolarHBondContact O-N 2.94Å; Y1122-L1127 WeakPolarHBondContact CA-O 3.33Å; Y1122-L1127 WeakPolarHBondContact CD2-O 3.47Å; Y1122-L1128 HydrophobicContact CD2-CB 3.75Å; Y1122-L1128 HydrophobicContact CD2-CD1 4.19Å; Y1122-L1128 HydrophobicContact CE2-CB 4.24Å; Y1122-L1128 HydrophobicContact CG-CD1 4.44Å; Y1122-H1146 HydrophobicContact CE2-CB 4.36Å
1123D77Confident85.7Confident2 Ų223.8 Ų23.81%0.01112%0.118CC..  trans-107.5171.6-173.997.6-27.9000114.2N1125 G1126 L1127 S1159 R1162 L1163D1123-N1125 PolarHBondContact O-N 3.39Å; D1123-N1125 WeakPolarHBondContact OD1-CA 3.39Å; D1123-N1125 WeakPolarHBondContact OD1-CB 3.49Å; D1123-N1125 PolarHBondContact OD1-N 3.19Å; D1123-N1125 PolarHBondContact OD2-ND2 2.98Å; D1123-G1126 PolarHBondContact O-N 3.13Å; D1123-G1126 PolarHBondContact OD1-N 2.81Å; D1123-L1127 PolarHBondContact N-O 3.41Å; D1123-L1127 WeakPolarHBondContact OD1-CB 3.38Å; D1123-L1127 PolarHBondContact OD1-N 3.12Å; D1123-S1159 VanDerWaalsContact OD2-CB 3.31Å; D1123-S1159 WeakPolarHBondContact OD2-CB 3.49Å; D1123-S1159 PolarHBondContact OD2-OG 2.96Å; D1123-R1162 IonicContact OD2-NH2 2.62Å; D1123-R1162 PolarHBondContact OD2-NH2 3.26Å; D1123-L1163 HydrophobicContact CB-CD1 4.28Å; D1123-L1163 HydrophobicContact CB-CD2 3.86Å; D1123-L1163 HydrophobicContact CB-CG 4.12Å
1124I66.3Low85.7Confident67 Ų6717.9 Ų17.934%0.34410%0.096SC..THydrogen-bonded Turntrans-67.2-12.717965.7171.4000114.6V1064V1064-I1124 HydrophobicContact CG2-CG2 4.22Å
1125N62.6Low85.5Confident57 Ų5723.2 Ų23.231%0.30512%0.121SC..THydrogen-bonded Turntrans-92.7-11.4179.5-64.8-24.6000112D1123 S1147 L1151 R1162D1123-N1125 PolarHBondContact O-N 3.39Å; D1123-N1125 WeakPolarHBondContact OD1-CA 3.39Å; D1123-N1125 WeakPolarHBondContact OD1-CB 3.49Å; D1123-N1125 PolarHBondContact OD1-N 3.19Å; D1123-N1125 PolarHBondContact OD2-ND2 2.98Å; N1125-S1147 WeakPolarHBondContact O-CB 3.25Å; N1125-S1147 PolarHBondContact O-OG 2.83Å; N1125-L1151 HydrophobicContact CB-CD1 4.27Å; N1125-L1151 HydrophobicContact CB-CD2 4.28Å; N1125-R1162 PolarHBondContact ND2-NH2 3Å
1126G66.8Low85.1Confident8 Ų824.5 Ų24.58%0.08212%0.124CC..SBendtrans92.123-172.300000113.9D1123 H1146 S1147D1123-G1126 PolarHBondContact O-N 3.13Å; D1123-G1126 PolarHBondContact OD1-N 2.81Å; G1126-H1146 WeakPolarHBondContact O-CA 3.32Å; G1126-H1146 VanDerWaalsContact O-CB 3.28Å; G1126-H1146 WeakPolarHBondContact O-CB 3.42Å; G1126-H1146 PolarHBondContact O-N 2.89Å; G1126-S1147 PolarHBondContact O-N 2.89Å
1127L78.9Confident84.5Confident0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-89.7118.4173.4-161.4103.6000110.3Y1122 D1123 V1143 L1151 I1156 S1159 R1160 L1163Y1122-L1127 WeakPolarHBondContact CA-O 3.33Å; Y1122-L1127 WeakPolarHBondContact CD2-O 3.47Å; D1123-L1127 PolarHBondContact N-O 3.41Å; D1123-L1127 WeakPolarHBondContact OD1-CB 3.38Å; D1123-L1127 PolarHBondContact OD1-N 3.12Å; L1127-V1143 HydrophobicContact CD1-CG1 3.6Å; L1127-V1143 HydrophobicContact CD2-CG1 3.78Å; L1127-V1143 HydrophobicContact CG-CG1 3.72Å; L1127-L1151 HydrophobicContact CB-CD1 4.37Å; L1127-L1151 HydrophobicContact CD1-CD1 3.73Å; L1127-I1156 HydrophobicContact CD1-CG1 4.22Å; L1127-I1156 HydrophobicContact CD1-CG2 4.42Å; L1127-S1159 WeakPolarHBondContact CD2-OG 3.48Å; L1127-R1160 HydrophobicContact CD2-CG 4.47Å; L1127-L1163 HydrophobicContact CD2-CD1 4.03Å
1128L86.9Confident84.1Confident0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans-104.6110.6173.7177.364.4000109.8L1041 V1086 F1120 S1121 Y1122 V1130 I1144L1041-L1128 HydrophobicContact CD1-CD1 4.26Å; L1041-L1128 HydrophobicContact CD1-CD2 4.23Å; V1086-L1128 HydrophobicContact CG1-CD2 4.2Å; F1120-L1128 HydrophobicContact CB-CD1 3.99Å; F1120-L1128 HydrophobicContact CD2-CD1 3.97Å; F1120-L1128 HydrophobicContact CD2-CD2 4.4Å; F1120-L1128 HydrophobicContact CE2-CD2 4.45Å; F1120-L1128 HydrophobicContact CG-CD1 4.16Å; S1121-L1128 CarbonylContact O-C 3.47Å; S1121-L1128 WeakPolarHBondContact O-CA 3.31Å; Y1122-L1128 HydrophobicContact CD2-CB 3.75Å; Y1122-L1128 HydrophobicContact CD2-CD1 4.19Å; Y1122-L1128 HydrophobicContact CE2-CB 4.24Å; Y1122-L1128 HydrophobicContact CG-CD1 4.44Å; L1128-V1130 HydrophobicContact CD2-CG2 4.32Å; L1128-V1130 HydrophobicContact CG-CG2 4.1Å; L1128-I1144 HydrophobicContact CB-CB 4.27Å; L1128-I1144 HydrophobicContact CD2-CD1 4.2Å; L1128-I1144 PolarHBondContact N-O 3.19Å; L1128-I1144 PolarHBondContact O-N 3.38Å
1129E89.7Confident83.7Confident6 Ų631.2 Ų31.23%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-99118.2170.5-169.2165.2-132.300110.7S1121 R1142 V1143 R1160 L1163 K1167S1121-E1129 PolarHBondContact N-O 2.99Å; S1121-E1129 PolarHBondContact O-N 3.09Å; E1129-R1142 CarbonylContact C-O 3.43Å; E1129-R1142 WeakPolarHBondContact CA-O 3.41Å; E1129-V1143 HydrophobicContact CB-CG2 4.38Å; E1129-V1143 HydrophobicContact CG-CG2 3.92Å; E1129-V1143 WeakPolarHBondContact OE1-CG2 3.3Å; E1129-R1160 IonicContact OE1-CZ 2.73Å; E1129-R1160 VanDerWaalsContact OE1-CZ 3.29Å; E1129-R1160 IonicContact OE1-NE 3.73Å; E1129-R1160 PolarHBondContact OE1-NE 3Å; E1129-R1160 IonicContact OE1-NH2 3.55Å; E1129-R1160 PolarHBondContact OE1-NH2 3.01Å; E1129-L1163 HydrophobicContact CB-CD1 4.36Å; E1129-K1167 IonicContact OE2-NZ 3.78Å; E1129-K1167 PolarHBondContact OE2-NZ 3.19Å
1130V92.9Very high83.6Confident0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-100.8106.3176.6-177.40000108.8V1086 F1103 I1118 R1119 F1120 L1128 S1141 R1142 I1144V1086-V1130 HydrophobicContact CG2-CG2 4.24Å; F1103-V1130 HydrophobicContact CE1-CG1 4.35Å; F1103-V1130 HydrophobicContact CZ-CB 4.36Å; F1103-V1130 HydrophobicContact CZ-CG1 3.9Å; I1118-V1130 HydrophobicContact CG2-CG1 4Å; R1119-V1130 CarbonylContact O-C 3.48Å; R1119-V1130 VanDerWaalsContact O-CA 3.32Å; R1119-V1130 WeakPolarHBondContact O-CA 3.42Å; F1120-V1130 HydrophobicContact CD1-CB 4.32Å; F1120-V1130 HydrophobicContact CD1-CG1 3.87Å; F1120-V1130 HydrophobicContact CD1-CG2 3.84Å; F1120-V1130 HydrophobicContact CE1-CB 4.29Å; F1120-V1130 HydrophobicContact CE1-CG1 3.6Å; F1120-V1130 HydrophobicContact CE1-CG2 3.75Å; F1120-V1130 HydrophobicContact CG-CG2 4.35Å; F1120-V1130 HydrophobicContact CZ-CG2 4.18Å; L1128-V1130 HydrophobicContact CD2-CG2 4.32Å; L1128-V1130 HydrophobicContact CG-CG2 4.1Å; V1130-S1141 CarbonylContact O-C 3.57Å; V1130-S1141 WeakPolarHBondContact O-CA 3.29Å; V1130-R1142 PolarHBondContact N-O 3.46Å; V1130-R1142 PolarHBondContact O-N 2.88Å; V1130-I1144 HydrophobicContact CG2-CD1 4.08Å
1131D92Very high83.4Confident13 Ų1337.4 Ų37.47%0.0721%0.213CC..EExtended strand (participates in β ladder)trans-96.9126.1173.5-66.8-42.2000110R1119 V1139 S1141 K1167R1119-D1131 HydrophobicContact CB-CB 4.22Å; R1119-D1131 PolarHBondContact N-O 3.42Å; R1119-D1131 PolarHBondContact O-N 3.21Å; D1131-V1139 HydrophobicContact CB-CG1 4.05Å; D1131-S1141 WeakPolarHBondContact OD1-CB 3.45Å; D1131-S1141 PolarHBondContact OD1-OG 2.88Å; D1131-K1167 IonicContact OD1-NZ 2.66Å; D1131-K1167 VanDerWaalsContact OD2-CE 3.26Å; D1131-K1167 WeakPolarHBondContact OD2-CE 3.44Å; D1131-K1167 IonicContact OD2-NZ 3.21Å; D1131-K1167 PolarHBondContact OD2-NZ 2.5Å
1132V93.8Very high83.5Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-106.7106.5172-176.30000108.4I1082 V1084 F1103 V1105 I1116 I1118 L1134 V1139 K1140I1082-V1132 HydrophobicContact CD1-CG1 4.08Å; V1084-V1132 HydrophobicContact CG2-CG2 4.13Å; F1103-V1132 HydrophobicContact CE2-CG2 4.02Å; F1103-V1132 HydrophobicContact CZ-CG2 4.16Å; V1105-V1132 HydrophobicContact CG1-CG1 4.32Å; V1105-V1132 HydrophobicContact CG2-CB 4.36Å; V1105-V1132 HydrophobicContact CG2-CG1 4.38Å; V1105-V1132 HydrophobicContact CG2-CG2 4.29Å; I1116-V1132 HydrophobicContact CG2-CG1 3.71Å; I1118-V1132 HydrophobicContact CG1-CG1 4.42Å; I1118-V1132 HydrophobicContact CG1-CG2 4.37Å; V1132-L1134 HydrophobicContact CG1-CD2 4.04Å; V1132-V1139 CarbonylContact O-C 3.55Å; V1132-V1139 WeakPolarHBondContact O-CA 2.86Å; V1132-K1140 HydrophobicContact CB-CB 4.39Å; V1132-K1140 PolarHBondContact N-O 3.26Å; V1132-K1140 PolarHBondContact O-N 2.81Å
1133L90.8Very high83.5Confident51 Ų5145.2 Ų45.227%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-93.4122.3175.716966.9000109.6D1117 V1139 Y1169D1117-L1133 HydrophobicContact CB-CB 4.04Å; D1117-L1133 HydrophobicContact CB-CD2 4.29Å; D1117-L1133 HydrophobicContact CB-CG 4.45Å; D1117-L1133 PolarHBondContact N-O 2.7Å; D1117-L1133 PolarHBondContact O-N 3.33Å; L1133-V1139 HydrophobicContact CB-CG2 4.28Å; L1133-V1139 HydrophobicContact CD1-CG2 3.7Å; L1133-Y1169 WeakPolarHBondContact CD2-OH 3.24Å
1134L90Very high83.8Confident14 Ų1446 Ų467%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-93.2156.7177-55.8-174.2000111.2V1105 L1107 I1116 V1132 D1136 G1137 S1138V1105-L1134 HydrophobicContact CG1-CD1 4.13Å; V1105-L1134 HydrophobicContact CG1-CD2 4.16Å; L1107-L1134 HydrophobicContact CD2-CD1 3.82Å; L1107-L1134 HydrophobicContact CD2-CD2 3.51Å; L1107-L1134 HydrophobicContact CD2-CG 4.29Å; I1116-L1134 HydrophobicContact CG1-CD2 4.27Å; I1116-L1134 HydrophobicContact CG2-CD2 4.23Å; V1132-L1134 HydrophobicContact CG1-CD2 4.04Å; L1134-D1136 PolarHBondContact O-N 2.86Å; L1134-D1136 VanDerWaalsContact O-N 3.08Å; L1134-G1137 WeakPolarHBondContact O-CA 3.49Å; L1134-G1137 PolarHBondContact O-N 3.36Å; L1134-S1138 PolarHBondContact N-O 3.23Å
1135E82.9Confident84Confident126 Ų12645.5 Ų45.559%0.58925%0.25SC*.THydrogen-bonded Turntrans-58.5-21.9-179.5-164.5174162.600114.3Q1114 S1115 G1137Q1114-E1135 VanDerWaalsContact CA-OE2 3.22Å; Q1114-E1135 WeakPolarHBondContact CA-OE2 3.4Å; S1115-E1135 PolarHBondContact N-OE2 3.41Å; S1115-E1135 PolarHBondContact O-N 3.1Å; E1135-G1137 PolarHBondContact O-N 2.95Å
1136D82.5Confident84.2Confident80 Ų8043.4 Ų43.443%0.42824%0.239SC..THydrogen-bonded Turntrans-81.54.6173.681.2-16.8000114.4K1108 L1134 S1138K1108-D1136 WeakPolarHBondContact CE-OD2 3.43Å; K1108-D1136 IonicContact NZ-OD2 3.24Å; K1108-D1136 PolarHBondContact NZ-OD2 3.01Å; L1134-D1136 PolarHBondContact O-N 2.86Å; L1134-D1136 VanDerWaalsContact O-N 3.08Å; D1136-S1138 VanDerWaalsContact C-N 3.33Å; D1136-S1138 VanDerWaalsContact OD1-CB 3.25Å; D1136-S1138 WeakPolarHBondContact OD1-CB 3.39Å; D1136-S1138 PolarHBondContact OD1-N 3.5Å; D1136-S1138 PolarHBondContact OD1-OG 3.4Å
1137G80.2Confident83.5Confident55 Ų5543.7 Ų43.757%0.56724%0.239SC*.SBendtrans83.6-1-179.200000114.7L1134 E1135L1134-G1137 WeakPolarHBondContact O-CA 3.49Å; L1134-G1137 PolarHBondContact O-N 3.36Å; E1135-G1137 PolarHBondContact O-N 2.95Å
1138S83.5Confident81.8Confident46 Ų4645 Ų4532%0.32225%0.248SC..  trans-78140.8176.566.50000112L1134 D1136L1134-S1138 PolarHBondContact N-O 3.23Å; D1136-S1138 VanDerWaalsContact C-N 3.33Å; D1136-S1138 VanDerWaalsContact OD1-CB 3.25Å; D1136-S1138 WeakPolarHBondContact OD1-CB 3.39Å; D1136-S1138 PolarHBondContact OD1-N 3.5Å; D1136-S1138 PolarHBondContact OD1-OG 3.4Å
1139V86.1Confident79.6Confident75 Ų7547.9 Ų47.946%0.45527%0.265SS..EExtended strand (participates in β ladder)trans-114137178.9-178.20000110.1D1131 V1132 L1133D1131-V1139 HydrophobicContact CB-CG1 4.05Å; V1132-V1139 CarbonylContact O-C 3.55Å; V1132-V1139 WeakPolarHBondContact O-CA 2.86Å; L1133-V1139 HydrophobicContact CB-CG2 4.28Å; L1133-V1139 HydrophobicContact CD1-CG2 3.7Å
1140K89.4Confident78Confident108 Ų10853.9 Ų53.947%0.4730%0.302SS..EExtended strand (participates in β ladder)trans-118.6109.9169.2-70.7-63.9-175.3-178.60110V1105 V1132V1105-K1140 HydrophobicContact CG1-CB 4.39Å; V1105-K1140 HydrophobicContact CG1-CG 4.01Å; V1105-K1140 HydrophobicContact CG2-CB 4.04Å; V1105-K1140 HydrophobicContact CG2-CG 4.36Å; V1132-K1140 HydrophobicContact CB-CB 4.39Å; V1132-K1140 PolarHBondContact N-O 3.26Å; V1132-K1140 PolarHBondContact O-N 2.81Å
1141S87.7Confident76.3Confident50 Ų5054.6 Ų54.635%0.3531%0.306SS..EExtended strand (participates in β ladder)trans-97.4140.4179.8-49.10000111.9V1130 D1131V1130-S1141 CarbonylContact O-C 3.57Å; V1130-S1141 WeakPolarHBondContact O-CA 3.29Å; D1131-S1141 WeakPolarHBondContact OD1-CB 3.45Å; D1131-S1141 PolarHBondContact OD1-OG 2.88Å
1142R89.5Confident74.7Confident136 Ų13656.5 Ų56.551%0.51332%0.32SS..EExtended strand (participates in β ladder)trans-126.6134.9164.9-74.7-63.1-173.4-150.64.2109.7F1103 E1129 V1130F1103-R1142 HydrophobicContact CB-CG 4.49Å; F1103-R1142 HydrophobicContact CD1-CB 4.3Å; F1103-R1142 HydrophobicContact CD1-CG 3.72Å; F1103-R1142 HydrophobicContact CD2-CG 3.71Å; F1103-R1142 HydrophobicContact CE1-CB 3.91Å; F1103-R1142 HydrophobicContact CE1-CG 3.71Å; F1103-R1142 HydrophobicContact CE2-CB 4.46Å; F1103-R1142 HydrophobicContact CE2-CG 3.69Å; F1103-R1142 HydrophobicContact CG-CG 3.71Å; F1103-R1142 HydrophobicContact CZ-CB 3.99Å; F1103-R1142 HydrophobicContact CZ-CG 3.69Å; E1129-R1142 CarbonylContact C-O 3.43Å; E1129-R1142 WeakPolarHBondContact CA-O 3.41Å; V1130-R1142 PolarHBondContact N-O 3.46Å; V1130-R1142 PolarHBondContact O-N 2.88Å
1143V83.7Confident73.4Confident56 Ų5660.6 Ų60.634%0.33935%0.354SS..EExtended strand (participates in β ladder)trans-107.7121.7176.2178.30000107.8L1127 E1129L1127-V1143 HydrophobicContact CD1-CG1 3.6Å; L1127-V1143 HydrophobicContact CD2-CG1 3.78Å; L1127-V1143 HydrophobicContact CG-CG1 3.72Å; E1129-V1143 HydrophobicContact CB-CG2 4.38Å; E1129-V1143 HydrophobicContact CG-CG2 3.92Å; E1129-V1143 WeakPolarHBondContact OE1-CG2 3.3Å
1144I82.9Confident72.2Confident17 Ų1764.4 Ų64.49%0.08737%0.371CS..EExtended strand (participates in β ladder)trans-113.8121.6179.7-59.1165.7000106.5V1086 V1100 E1101 L1128 V1130 H1146V1086-I1144 HydrophobicContact CB-CD1 4.41Å; V1086-I1144 HydrophobicContact CG1-CD1 4.28Å; V1086-I1144 HydrophobicContact CG2-CD1 4.21Å; V1100-I1144 HydrophobicContact CG1-CD1 4.24Å; V1100-I1144 HydrophobicContact CG1-CG2 3.67Å; E1101-I1144 HydrophobicContact CB-CD1 3.57Å; E1101-I1144 HydrophobicContact CB-CG1 4.05Å; E1101-I1144 HydrophobicContact CG-CD1 4Å; E1101-I1144 HydrophobicContact CG-CG1 4.11Å; L1128-I1144 HydrophobicContact CB-CB 4.27Å; L1128-I1144 HydrophobicContact CD2-CD1 4.2Å; L1128-I1144 PolarHBondContact N-O 3.19Å; L1128-I1144 PolarHBondContact O-N 3.38Å; V1130-I1144 HydrophobicContact CG2-CD1 4.08Å; I1144-H1146 PolarHBondContact O-N 2.89Å
1145N72.3Confident70.6Confident57 Ų5767.5 Ų67.531%0.30539%0.385SS..EExtended strand (participates in β ladder)trans-92.798.8176.5-172.522.2000109.9S1147 V1149N1145-S1147 WeakPolarHBondContact OD1-CA 3.28Å; N1145-S1147 WeakPolarHBondContact OD1-CB 3.42Å; N1145-S1147 PolarHBondContact OD1-N 3.43Å; N1145-V1149 PolarHBondContact ND2-O 2.88Å
1146H64.8Low69.6Low14 Ų1463.9 Ų63.97%0.06537%0.369CS..  trans-75.1-15.5167.2-80.1-94000112.3D804 Q1088 V1100 Y1122 G1126 I1144D804-H1146 IonicContact OD2-CE1 3.3Å; D804-H1146 IonicContact OD2-CG 3.92Å; D804-H1146 IonicContact OD2-ND1 2.75Å; D804-H1146 PolarHBondContact OD2-ND1 3.42Å; Q1088-H1146 PolarHBondContact OE1-CE1 2.86Å; Q1088-H1146 VanDerWaalsContact OE1-CE1 3.27Å; V1100-H1146 VanDerWaalsContact CG1-NE2 3.27Å; V1100-H1146 WeakPolarHBondContact CG1-NE2 3.36Å; Y1122-H1146 HydrophobicContact CE2-CB 4.36Å; G1126-H1146 WeakPolarHBondContact O-CA 3.32Å; G1126-H1146 VanDerWaalsContact O-CB 3.28Å; G1126-H1146 WeakPolarHBondContact O-CB 3.42Å; G1126-H1146 PolarHBondContact O-N 2.89Å; I1144-H1146 PolarHBondContact O-N 2.89Å
1147S54Low69Low13 Ų1365.1 Ų65.19%0.09137%0.372CS..SBendtrans-56.7136.2178.3-153.40000111.2N1125 G1126 N1145 V1149N1125-S1147 WeakPolarHBondContact O-CB 3.25Å; N1125-S1147 PolarHBondContact O-OG 2.83Å; G1126-S1147 PolarHBondContact O-N 2.89Å; N1145-S1147 WeakPolarHBondContact OD1-CA 3.28Å; N1145-S1147 WeakPolarHBondContact OD1-CB 3.42Å; N1145-S1147 PolarHBondContact OD1-N 3.43Å; S1147-V1149 PolarHBondContact O-N 2.84Å
1148P41.3Very low68.2Low29 Ų2966.9 Ų66.919%0.18837%0.366CS..SBendtrans-62.4-7.5170.4-2332.2000114.6R807 K808 R811R807-P1148 HydrophobicContact CB-CB 4.34Å; R807-P1148 HydrophobicContact CB-CG 3.52Å; K808-P1148 HydrophobicContact CB-CB 4.36Å; K808-P1148 HydrophobicContact CG-CB 3.55Å; K808-P1148 HydrophobicContact CG-CG 4.36Å; R811-P1148 VanDerWaalsContact NH1-CB 3.35Å
1149V42.4Very low66.8Low60 Ų6064.7 Ų64.736%0.36435%0.351SS..SBendtrans-114.3138.5178.4151.70000109.1R811 N1145 S1147 L1151R811-V1149 VanDerWaalsContact NH1-CB 3.27Å; N1145-V1149 PolarHBondContact ND2-O 2.88Å; S1147-V1149 PolarHBondContact O-N 2.84Å; V1149-L1151 PolarHBondContact O-N 3.43Å
1150T54.8Low65.9Low132 Ų13265.2 Ų65.281%0.8134%0.344SS*.  trans-64.798.8163.7-49.10000108.2S1152T1150-S1152 PolarHBondContact O-N 3.06Å
1151L57.6Low64.7Low14 Ų1464.1 Ų64.17%0.07335%0.347CS..  trans-58.4137.5175.7-66171000109.2N1125 L1127 V1149 Q1155 I1156N1125-L1151 HydrophobicContact CB-CD1 4.27Å; N1125-L1151 HydrophobicContact CB-CD2 4.28Å; L1127-L1151 HydrophobicContact CB-CD1 4.37Å; L1127-L1151 HydrophobicContact CD1-CD1 3.73Å; V1149-L1151 PolarHBondContact O-N 3.43Å; L1151-Q1155 HydrophobicContact CB-CB 4.15Å; L1151-Q1155 HydrophobicContact CD2-CB 4.27Å; L1151-I1156 HydrophobicContact CB-CD1 4.26Å; L1151-I1156 HydrophobicContact CB-CG1 3.65Å; L1151-I1156 HydrophobicContact CD1-CG1 4.49Å
1152S58.7Low63.5Low53 Ų5367 Ų6737%0.37135%0.35SS..  trans-63.5157.5175.680.20000110.4T1150 Q1154 Q1155 I1156T1150-S1152 PolarHBondContact O-N 3.06Å; S1152-Q1154 PolarHBondContact O-N 3.49Å; S1152-Q1154 VanDerWaalsContact O-N 3.13Å; S1152-Q1154 PolarHBondContact OG-N 3.21Å; S1152-Q1155 PolarHBondContact O-N 3.16Å; S1152-Q1155 WeakPolarHBondContact OG-CG 3.36Å; S1152-Q1155 PolarHBondContact OG-N 3.39Å; S1152-Q1155 VanDerWaalsContact OG-N 3.1Å; S1152-I1156 WeakPolarHBondContact O-CG1 3.45Å; S1152-I1156 PolarHBondContact O-N 2.91Å
1153A66.7Low62.2Low87 Ų8760.6 Ų60.672%0.71933%0.326SS*.Hα-helixtrans-55.5-33.8176.900000112.2E1157A1153-E1157 PolarHBondContact O-N 3.45Å; A1153-E1157 VanDerWaalsContact O-N 3.16Å
1154Q65.1Low61.4Low131 Ų13161.2 Ų61.261%0.61233%0.333SS*.Hα-helixtrans-67-49.4172.9-179.5-178.2-15.500112.1S1152 I1156 E1157 E1158S1152-Q1154 PolarHBondContact O-N 3.49Å; S1152-Q1154 VanDerWaalsContact O-N 3.13Å; S1152-Q1154 PolarHBondContact OG-N 3.21Å; Q1154-I1156 VanDerWaalsContact C-N 3.26Å; Q1154-I1156 PolarHBondContact O-N 3.28Å; Q1154-E1157 PolarHBondContact O-N 2.92Å; Q1154-E1158 HydrophobicContact CG-CG 4.38Å; Q1154-E1158 VanDerWaalsContact CG-OE1 3.29Å; Q1154-E1158 WeakPolarHBondContact CG-OE1 3.37Å; Q1154-E1158 PolarHBondContact NE2-OE1 3.07Å; Q1154-E1158 WeakPolarHBondContact O-CG 3.22Å; Q1154-E1158 PolarHBondContact O-N 3.46Å
1155Q55.7Low60.3Low79 Ų7963.6 Ų63.637%0.36936%0.355SS..Hα-helixtrans-61.7-34.3178.5-73.5171.9-30.600112.6L1151 S1152 S1159L1151-Q1155 HydrophobicContact CB-CB 4.15Å; L1151-Q1155 HydrophobicContact CD2-CB 4.27Å; S1152-Q1155 PolarHBondContact O-N 3.16Å; S1152-Q1155 WeakPolarHBondContact OG-CG 3.36Å; S1152-Q1155 PolarHBondContact OG-N 3.39Å; S1152-Q1155 VanDerWaalsContact OG-N 3.1Å; Q1155-S1159 WeakPolarHBondContact O-CB 3.39Å; Q1155-S1159 PolarHBondContact O-N 3.01Å
1156I63.8Low59.8Low50 Ų5064 Ų6426%0.25636%0.357SS..Hα-helixtrans-64.9-43.5173.1-66.1170.8000110.2L1127 L1151 S1152 Q1154 S1159 R1160L1127-I1156 HydrophobicContact CD1-CG1 4.22Å; L1127-I1156 HydrophobicContact CD1-CG2 4.42Å; L1151-I1156 HydrophobicContact CB-CD1 4.26Å; L1151-I1156 HydrophobicContact CB-CG1 3.65Å; L1151-I1156 HydrophobicContact CD1-CG1 4.49Å; S1152-I1156 WeakPolarHBondContact O-CG1 3.45Å; S1152-I1156 PolarHBondContact O-N 2.91Å; Q1154-I1156 VanDerWaalsContact C-N 3.26Å; Q1154-I1156 PolarHBondContact O-N 3.28Å; I1156-S1159 WeakPolarHBondContact O-CB 3.43Å; I1156-S1159 PolarHBondContact O-N 2.85Å; I1156-R1160 WeakPolarHBondContact O-CB 2.92Å; I1156-R1160 VanDerWaalsContact O-CG 3.26Å; I1156-R1160 WeakPolarHBondContact O-CG 3.32Å; I1156-R1160 PolarHBondContact O-N 3.4Å
1157E69Low59.9Low106 Ų10665.6 Ų65.650%0.49536%0.363SS..Hα-helixtrans-73-35.6-179.7-161.860.2-158.400112.9A1153 Q1154 R1160 T1161A1153-E1157 PolarHBondContact O-N 3.45Å; A1153-E1157 VanDerWaalsContact O-N 3.16Å; Q1154-E1157 PolarHBondContact O-N 2.92Å; E1157-R1160 PolarHBondContact O-N 3.01Å; E1157-T1161 WeakPolarHBondContact O-CB 3.32Å; E1157-T1161 PolarHBondContact O-N 3.2Å; E1157-T1161 PolarHBondContact O-OG1 3.29Å
1158E63.6Low60.4Low92 Ų9269.2 Ų69.243%0.4338%0.381SS..Hα-helixtrans-64.1-40.9170.4-72.1169.7-177.300111.7Q1154 T1161 R1162Q1154-E1158 HydrophobicContact CG-CG 4.38Å; Q1154-E1158 VanDerWaalsContact CG-OE1 3.29Å; Q1154-E1158 WeakPolarHBondContact CG-OE1 3.37Å; Q1154-E1158 PolarHBondContact NE2-OE1 3.07Å; Q1154-E1158 WeakPolarHBondContact O-CG 3.22Å; Q1154-E1158 PolarHBondContact O-N 3.46Å; E1158-T1161 PolarHBondContact O-N 3.08Å; E1158-R1162 WeakPolarHBondContact O-CG 3.35Å; E1158-R1162 PolarHBondContact O-N 2.96Å; E1158-R1162 VanDerWaalsContact O-N 3.11Å
1159S54.1Low61.8Low0 Ų069.2 Ų69.20%038%0.377CS..Hα-helixtrans-61-49.7171.6179.40000111.3D1123 L1127 Q1155 I1156 T1161 R1162 L1163D1123-S1159 VanDerWaalsContact OD2-CB 3.31Å; D1123-S1159 WeakPolarHBondContact OD2-CB 3.49Å; D1123-S1159 PolarHBondContact OD2-OG 2.96Å; L1127-S1159 WeakPolarHBondContact CD2-OG 3.48Å; Q1155-S1159 WeakPolarHBondContact O-CB 3.39Å; Q1155-S1159 PolarHBondContact O-N 3.01Å; I1156-S1159 WeakPolarHBondContact O-CB 3.43Å; I1156-S1159 PolarHBondContact O-N 2.85Å; S1159-T1161 VanDerWaalsContact C-N 3.32Å; S1159-T1161 PolarHBondContact O-N 2.93Å; S1159-R1162 PolarHBondContact O-N 3.12Å; S1159-L1163 WeakPolarHBondContact O-CG 3.39Å; S1159-L1163 PolarHBondContact O-N 2.99Å
1160R66.5Low63.2Low86 Ų8666.7 Ų66.733%0.32536%0.362SS..Hα-helixtrans-60-39.4176.8-75.3178.5121.1-174.11.3113.1L1127 E1129 I1156 E1157 L1163 S1164L1127-R1160 HydrophobicContact CD2-CG 4.47Å; E1129-R1160 IonicContact OE1-CZ 2.73Å; E1129-R1160 VanDerWaalsContact OE1-CZ 3.29Å; E1129-R1160 IonicContact OE1-NE 3.73Å; E1129-R1160 PolarHBondContact OE1-NE 3Å; E1129-R1160 IonicContact OE1-NH2 3.55Å; E1129-R1160 PolarHBondContact OE1-NH2 3.01Å; I1156-R1160 WeakPolarHBondContact O-CB 2.92Å; I1156-R1160 VanDerWaalsContact O-CG 3.26Å; I1156-R1160 WeakPolarHBondContact O-CG 3.32Å; I1156-R1160 PolarHBondContact O-N 3.4Å; E1157-R1160 PolarHBondContact O-N 3.01Å; R1160-L1163 PolarHBondContact O-N 2.83Å; R1160-S1164 WeakPolarHBondContact O-CB 3.17Å; R1160-S1164 PolarHBondContact O-N 2.66Å
1161T64.6Low64.3Low85 Ų8565.6 Ų65.652%0.52134%0.343SS..Hα-helixtrans-61-48.3176-58.80000110.3E1157 E1158 S1159 S1164E1157-T1161 WeakPolarHBondContact O-CB 3.32Å; E1157-T1161 PolarHBondContact O-N 3.2Å; E1157-T1161 PolarHBondContact O-OG1 3.29Å; E1158-T1161 PolarHBondContact O-N 3.08Å; S1159-T1161 VanDerWaalsContact C-N 3.32Å; S1159-T1161 PolarHBondContact O-N 2.93Å; T1161-S1164 PolarHBondContact O-N 3.2Å; T1161-S1164 PolarHBondContact O-OG 3.32Å
1162R62.8Low65.1Low110 Ų11068.5 Ų68.542%0.41536%0.359SS..Hα-helixtrans-62.4-46.1174.6-70.3-178.3-64.8157.16.9112.6D1123 N1125 E1158 S1159 S1164 A1165D1123-R1162 IonicContact OD2-NH2 2.62Å; D1123-R1162 PolarHBondContact OD2-NH2 3.26Å; N1125-R1162 PolarHBondContact ND2-NH2 3Å; E1158-R1162 WeakPolarHBondContact O-CG 3.35Å; E1158-R1162 PolarHBondContact O-N 2.96Å; E1158-R1162 VanDerWaalsContact O-N 3.11Å; S1159-R1162 PolarHBondContact O-N 3.12Å; R1162-S1164 VanDerWaalsContact C-N 3.27Å; R1162-S1164 PolarHBondContact O-N 2.91Å; R1162-A1165 PolarHBondContact O-N 2.76Å
1163L62.2Low65.9Low1 Ų168.5 Ų68.51%0.00535%0.354CS..Hα-helixtrans-61.9-33.9176.9-71.5179.2000112.1D1123 L1127 E1129 S1159 R1160 A1165 L1166 K1167D1123-L1163 HydrophobicContact CB-CD1 4.28Å; D1123-L1163 HydrophobicContact CB-CD2 3.86Å; D1123-L1163 HydrophobicContact CB-CG 4.12Å; L1127-L1163 HydrophobicContact CD2-CD1 4.03Å; E1129-L1163 HydrophobicContact CB-CD1 4.36Å; S1159-L1163 WeakPolarHBondContact O-CG 3.39Å; S1159-L1163 PolarHBondContact O-N 2.99Å; R1160-L1163 PolarHBondContact O-N 2.83Å; L1163-A1165 VanDerWaalsContact C-N 3.28Å; L1163-A1165 PolarHBondContact O-N 2.94Å; L1163-L1166 HydrophobicContact CD2-CD1 4.3Å; L1163-L1166 WeakPolarHBondContact O-CB 3.4Å; L1163-L1166 PolarHBondContact O-N 2.88Å; L1163-K1167 WeakPolarHBondContact O-CG 3.37Å; L1163-K1167 PolarHBondContact O-N 3.27Å
1164S66.5Low66.3Low69 Ų6971.2 Ų71.248%0.48336%0.355SS..Hα-helixtrans-62.4-32.6178.880.40000113.2R1160 T1161 R1162 L1166 K1167R1160-S1164 WeakPolarHBondContact O-CB 3.17Å; R1160-S1164 PolarHBondContact O-N 2.66Å; T1161-S1164 PolarHBondContact O-N 3.2Å; T1161-S1164 PolarHBondContact O-OG 3.32Å; R1162-S1164 VanDerWaalsContact C-N 3.27Å; R1162-S1164 PolarHBondContact O-N 2.91Å; S1164-L1166 VanDerWaalsContact C-N 3.28Å; S1164-L1166 PolarHBondContact O-N 2.68Å; S1164-K1167 WeakPolarHBondContact O-CB 3.49Å; S1164-K1167 PolarHBondContact O-N 2.71Å
1165A60.2Low67.3Low67 Ų6768 Ų6855%0.55434%0.342SS*.Hα-helixtrans-67.3-29.6174.800000112.4R1162 L1163 K1167R1162-A1165 PolarHBondContact O-N 2.76Å; L1163-A1165 VanDerWaalsContact C-N 3.28Å; L1163-A1165 PolarHBondContact O-N 2.94Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å
1166L61.8Low68.8Low66 Ų6664.2 Ų64.235%0.34632%0.324SS..Hα-helixtrans-81.3-9.5178.9-57.8175.3000113.3P1065 L1163 S1164 I1168P1065-L1166 HydrophobicContact CB-CD1 3.7Å; P1065-L1166 HydrophobicContact CG-CD1 3.93Å; L1163-L1166 HydrophobicContact CD2-CD1 4.3Å; L1163-L1166 WeakPolarHBondContact O-CB 3.4Å; L1163-L1166 PolarHBondContact O-N 2.88Å; S1164-L1166 VanDerWaalsContact C-N 3.28Å; S1164-L1166 PolarHBondContact O-N 2.68Å; L1166-I1168 PolarHBondContact O-N 3.16Å; L1166-I1168 VanDerWaalsContact O-N 3.09Å
1167K66.6Low69.8Low47 Ų4769.3 Ų69.320%0.20434%0.34CS..  trans-78.216.1-173.9-78-176.4-166.6-1650114.9R1119 E1129 D1131 L1163 S1164 A1165R1119-K1167 PolarHBondContact NH1-O 3.32Å; R1119-K1167 PolarHBondContact NH2-O 3.01Å; E1129-K1167 IonicContact OE2-NZ 3.78Å; E1129-K1167 PolarHBondContact OE2-NZ 3.19Å; D1131-K1167 IonicContact OD1-NZ 2.66Å; D1131-K1167 VanDerWaalsContact OD2-CE 3.26Å; D1131-K1167 WeakPolarHBondContact OD2-CE 3.44Å; D1131-K1167 IonicContact OD2-NZ 3.21Å; D1131-K1167 PolarHBondContact OD2-NZ 2.5Å; L1163-K1167 WeakPolarHBondContact O-CG 3.37Å; L1163-K1167 PolarHBondContact O-N 3.27Å; S1164-K1167 WeakPolarHBondContact O-CB 3.49Å; S1164-K1167 PolarHBondContact O-N 2.71Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å
1168I65.7Low70.5Confident90 Ų9067 Ų6746%0.46233%0.333SS..SBendtrans-91.1125.3177.7-53.9175.9000109.4L1166 D1172 M1173L1166-I1168 PolarHBondContact O-N 3.16Å; L1166-I1168 VanDerWaalsContact O-N 3.09Å; I1168-D1172 HydrophobicContact CG2-CB 4.26Å; I1168-M1173 HydrophobicContact CB-CE 4.31Å; I1168-M1173 HydrophobicContact CB-CG 4.49Å; I1168-M1173 HydrophobicContact CG2-CG 3.81Å
1169Y68.7Low71.8Confident29 Ų2962.6 Ų62.611%0.11431%0.312CS..  trans-65144.2177.1-66.5-93.9000110.9V1069 D1117 L1133 R1171 D1172 M1173V1069-Y1169 HydrophobicContact CB-CE1 4.48Å; V1069-Y1169 HydrophobicContact CG1-CD1 3.81Å; V1069-Y1169 HydrophobicContact CG1-CE1 3.51Å; V1069-Y1169 HydrophobicContact CG2-CE1 4.24Å; D1117-Y1169 PolarHBondContact OD2-OH 2.92Å; L1133-Y1169 WeakPolarHBondContact CD2-OH 3.24Å; Y1169-R1171 PolarHBondContact O-N 3.03Å; Y1169-R1171 VanDerWaalsContact O-N 3.14Å; Y1169-D1172 WeakPolarHBondContact CB-OD2 3.32Å; Y1169-D1172 PolarHBondContact O-N 2.92Å; Y1169-M1173 PolarHBondContact O-N 3.42Å
1170P72.3Confident73.6Confident7 Ų765.1 Ų65.15%0.04532%0.324CS..THydrogen-bonded Turntrans-55.2-35.7179.2-30.137.7000114.2D1172 M1173 N1176 L1209 M1214 V1217P1170-D1172 VanDerWaalsContact C-N 3.26Å; P1170-D1172 PolarHBondContact O-N 3.49Å; P1170-M1173 PolarHBondContact O-N 3.4Å; P1170-N1176 VanDerWaalsContact O-CB 3.27Å; P1170-N1176 WeakPolarHBondContact O-CB 3.47Å; P1170-N1176 PolarHBondContact O-ND2 3.13Å; P1170-L1209 HydrophobicContact CB-CD2 4.22Å; P1170-M1214 HydrophobicContact CB-SD 3.6Å; P1170-M1214 HydrophobicContact CG-CG 3.99Å; P1170-M1214 HydrophobicContact CG-SD 3.68Å; P1170-V1217 HydrophobicContact CB-CG2 4.15Å
1171R78.4Confident74.6Confident108 Ų10863.4 Ų63.441%0.40833%0.327SS..THydrogen-bonded Turntrans-65-23.2174.865.3-178177.8-127.32.7114.5Y1169 R1177Y1169-R1171 PolarHBondContact O-N 3.03Å; Y1169-R1171 VanDerWaalsContact O-N 3.14Å; R1171-R1177 WeakPolarHBondContact O-CD 3.26Å; R1171-R1177 WeakPolarHBondContact O-CG 3.42Å
1172D75.2Confident75.8Confident76 Ų7662.2 Ų62.241%0.40632%0.315SS..THydrogen-bonded Turntrans-95.2-20.1-177.1-64.5-38.4000112.1I1168 Y1169 P1170 L1174I1168-D1172 HydrophobicContact CG2-CB 4.26Å; Y1169-D1172 WeakPolarHBondContact CB-OD2 3.32Å; Y1169-D1172 PolarHBondContact O-N 2.92Å; P1170-D1172 VanDerWaalsContact C-N 3.26Å; P1170-D1172 PolarHBondContact O-N 3.49Å; D1172-L1174 PolarHBondContact O-N 3.27Å
1173M74Confident77.1Confident52 Ų5257 Ų5726%0.25630%0.296SS..SBendtrans-60.4131.2174.5-69.4-168.9171.900112.3I1168 Y1169 P1170 I1175 N1176 R1177 M1214I1168-M1173 HydrophobicContact CB-CE 4.31Å; I1168-M1173 HydrophobicContact CB-CG 4.49Å; I1168-M1173 HydrophobicContact CG2-CG 3.81Å; Y1169-M1173 PolarHBondContact O-N 3.42Å; P1170-M1173 PolarHBondContact O-N 3.4Å; M1173-I1175 VanDerWaalsContact C-N 3.26Å; M1173-I1175 HydrophobicContact CB-CG2 4.41Å; M1173-I1175 PolarHBondContact O-N 3.02Å; M1173-N1176 PolarHBondContact O-N 3.29Å; M1173-N1176 VanDerWaalsContact O-N 3.16Å; M1173-R1177 PolarHBondContact O-N 3.32Å; M1173-R1177 VanDerWaalsContact O-N 3.13Å; M1173-M1214 HydrophobicContact CE-CE 4.45Å; M1173-M1214 HydrophobicContact CE-SD 4.13Å; M1173-M1214 HydrophobicContact SD-CE 3.65Å; M1173-M1214 HydrophobicContact SD-SD 3.58Å
1174L76.5Confident78.6Confident145 Ų14561.5 Ų61.576%0.75932%0.316SS*.Hα-helixtrans-57.5-38.4-172.8-149.491.5000112.8D1172 R1177 T1178D1172-L1174 PolarHBondContact O-N 3.27Å; L1174-R1177 PolarHBondContact O-N 2.87Å; L1174-T1178 WeakPolarHBondContact O-CB 3.5Å; L1174-T1178 PolarHBondContact O-N 3.37Å; L1174-T1178 PolarHBondContact O-OG1 3.1Å
1175I85.2Confident79.7Confident63 Ų6362.2 Ų62.232%0.32331%0.312SS..Hα-helixtrans-63.8-42.2-178.7-162.3166000112M1173 T1178 F1179 P1233M1173-I1175 VanDerWaalsContact C-N 3.26Å; M1173-I1175 HydrophobicContact CB-CG2 4.41Å; M1173-I1175 PolarHBondContact O-N 3.02Å; I1175-T1178 PolarHBondContact O-N 3.43Å; I1175-F1179 WeakPolarHBondContact O-CB 3.08Å; I1175-F1179 PolarHBondContact O-N 3.03Å; I1175-P1233 WeakPolarHBondContact CD1-O 3.36Å; I1175-P1233 HydrophobicContact CG1-CG 4.13Å; I1175-P1233 VanDerWaalsContact CG1-O 3.25Å; I1175-P1233 WeakPolarHBondContact CG1-O 3.22Å; I1175-P1233 WeakPolarHBondContact O-CG 3.36Å
1176N87.7Confident81Confident0 Ų061.3 Ų61.30%030%0.298CS..Hα-helixtrans-73.6-38.6179.7-69.9-28.9000111.7P1170 M1173 T1178 F1179 K1180 F1205 L1209 V1217 R1221P1170-N1176 VanDerWaalsContact O-CB 3.27Å; P1170-N1176 WeakPolarHBondContact O-CB 3.47Å; P1170-N1176 PolarHBondContact O-ND2 3.13Å; M1173-N1176 PolarHBondContact O-N 3.29Å; M1173-N1176 VanDerWaalsContact O-N 3.16Å; N1176-T1178 VanDerWaalsContact C-N 3.32Å; N1176-F1179 PolarHBondContact O-N 2.84Å; N1176-K1180 WeakPolarHBondContact O-CB 3.32Å; N1176-K1180 PolarHBondContact O-N 2.96Å; N1176-F1205 HydrophobicContact CB-CZ 4.23Å; N1176-L1209 HydrophobicContact CB-CD2 3.87Å; N1176-V1217 WeakPolarHBondContact OD1-CG1 3.24Å; N1176-R1221 PolarHBondContact OD1-NE 2.61Å
1177R84Confident82.5Confident157 Ų15763.1 Ų63.159%0.59230%0.3SS*.Hα-helixtrans-63.2-40172.3-63.2-177.676.2169.66.6111.6R1171 M1173 L1174 A1181R1171-R1177 WeakPolarHBondContact O-CD 3.26Å; R1171-R1177 WeakPolarHBondContact O-CG 3.42Å; M1173-R1177 PolarHBondContact O-N 3.32Å; M1173-R1177 VanDerWaalsContact O-N 3.13Å; L1174-R1177 PolarHBondContact O-N 2.87Å; R1177-A1181 WeakPolarHBondContact O-CB 3.35Å; R1177-A1181 PolarHBondContact O-N 2.87Å
1178T83.7Confident83.6Confident56 Ų5663.4 Ų63.434%0.34431%0.311SS..Hα-helixtrans-68.7-39176-53.20000111.7L1174 I1175 N1176 A1181 K1182 P1233L1174-T1178 WeakPolarHBondContact O-CB 3.5Å; L1174-T1178 PolarHBondContact O-N 3.37Å; L1174-T1178 PolarHBondContact O-OG1 3.1Å; I1175-T1178 PolarHBondContact O-N 3.43Å; N1176-T1178 VanDerWaalsContact C-N 3.32Å; T1178-A1181 PolarHBondContact O-N 3.43Å; T1178-K1182 PolarHBondContact O-N 3.29Å; T1178-P1233 HydrophobicContact CG2-CB 3.52Å; T1178-P1233 HydrophobicContact CG2-CG 3.91Å
1179F91.1Very high84.6Confident0 Ų066.6 Ų66.60%032%0.318CS..Hα-helixtrans-67.3-43.7176.5-168.8-105.8000111.8I1175 N1176 A1181 K1182 L1183 F1205 R1221 A1224 I1230 P1233I1175-F1179 WeakPolarHBondContact O-CB 3.08Å; I1175-F1179 PolarHBondContact O-N 3.03Å; N1176-F1179 PolarHBondContact O-N 2.84Å; F1179-A1181 VanDerWaalsContact C-N 3.34Å; F1179-A1181 PolarHBondContact O-N 3.15Å; F1179-K1182 WeakPolarHBondContact O-CB 3.3Å; F1179-K1182 PolarHBondContact O-N 3.31Å; F1179-L1183 HydrophobicContact CD1-CD1 3.94Å; F1179-L1183 HydrophobicContact CD1-CG 4.28Å; F1179-L1183 HydrophobicContact CE1-CD1 3.71Å; F1179-L1183 HydrophobicContact CE1-CD2 4.3Å; F1179-L1183 HydrophobicContact CE1-CG 4.06Å; F1179-L1183 HydrophobicContact CZ-CD2 4.35Å; F1179-L1183 HydrophobicContact CZ-CG 4.48Å; F1179-L1183 WeakPolarHBondContact O-CG 3.34Å; F1179-L1183 PolarHBondContact O-N 3.19Å; F1179-F1205 HydrophobicContact CB-CE1 4.43Å; F1179-F1205 HydrophobicContact CB-CZ 4.33Å; F1179-F1205 HydrophobicContact CD1-CD1 4.15Å; F1179-F1205 HydrophobicContact CD1-CD2 4.21Å; F1179-F1205 AromaticContact CD1-CE1 3.79Å; F1179-F1205 HydrophobicContact CD1-CE1 3.79Å; F1179-F1205 AromaticContact CD1-CE2 3.88Å; F1179-F1205 HydrophobicContact CD1-CE2 3.88Å; F1179-F1205 HydrophobicContact CD1-CG 4.36Å; F1179-F1205 AromaticContact CD1-CZ 3.66Å; F1179-F1205 HydrophobicContact CD1-CZ 3.66Å; F1179-F1205 HydrophobicContact CE1-CD2 4.34Å; F1179-F1205 HydrophobicContact CE1-CE2 4.34Å; F1179-F1205 HydrophobicContact CG-CZ 4.43Å; F1179-R1221 HydrophobicContact CD1-CB 4.3Å; F1179-R1221 HydrophobicContact CD1-CG 3.81Å; F1179-R1221 HydrophobicContact CD2-CG 4.01Å; F1179-R1221 HydrophobicContact CE1-CB 4.11Å; F1179-R1221 HydrophobicContact CE1-CG 3.84Å; F1179-R1221 HydrophobicContact CE2-CG 4.04Å; F1179-R1221 HydrophobicContact CG-CG 3.89Å; F1179-R1221 HydrophobicContact CZ-CB 4.49Å; F1179-R1221 HydrophobicContact CZ-CG 3.95Å; F1179-R1221 VanDerWaalsContact CZ-O 3.32Å; F1179-R1221 WeakPolarHBondContact CZ-O 3.46Å; F1179-A1224 HydrophobicContact CE1-CB 3.82Å; F1179-A1224 HydrophobicContact CZ-CB 3.68Å; F1179-I1230 HydrophobicContact CE2-CD1 3.63Å; F1179-I1230 HydrophobicContact CE2-CG1 4.01Å; F1179-I1230 HydrophobicContact CZ-CD1 3.82Å; F1179-I1230 HydrophobicContact CZ-CG1 4.4Å; F1179-P1233 HydrophobicContact CB-CG 4.04Å; F1179-P1233 HydrophobicContact CD2-CG 4.48Å
1180K91.2Very high85.3Confident54 Ų5465.5 Ų65.524%0.23531%0.314CS..Hα-helixtrans-57.2-46.4172.3180164.6178.3161.60111.6N1176 K1182 L1183 E1184 F1205 D1206N1176-K1180 WeakPolarHBondContact O-CB 3.32Å; N1176-K1180 PolarHBondContact O-N 2.96Å; K1180-K1182 VanDerWaalsContact C-N 3.35Å; K1180-K1182 PolarHBondContact O-N 2.65Å; K1180-L1183 PolarHBondContact O-N 2.84Å; K1180-L1183 VanDerWaalsContact O-N 3.17Å; K1180-E1184 WeakPolarHBondContact CE-OE1 3.37Å; K1180-E1184 HydrophobicContact CG-CG 4.4Å; K1180-E1184 IonicContact NZ-OE1 3.68Å; K1180-E1184 WeakPolarHBondContact O-CG 3.41Å; K1180-E1184 PolarHBondContact O-N 3.28Å; K1180-F1205 HydrophobicContact CB-CD1 4.28Å; K1180-F1205 HydrophobicContact CB-CE1 4.04Å; K1180-D1206 WeakPolarHBondContact CD-OD1 3.33Å; K1180-D1206 WeakPolarHBondContact CE-OD1 3.39Å; K1180-D1206 IonicContact NZ-OD1 3.57Å; K1180-D1206 PolarHBondContact NZ-OD1 3.21Å; K1180-D1206 IonicContact NZ-OD2 3.26Å; K1180-D1206 PolarHBondContact NZ-OD2 3.33Å
1181A88.4Confident86Confident49 Ų4971.5 Ų71.541%0.40535%0.345SS..Hα-helixtrans-61.4-39176.600000112.9R1177 T1178 F1179 E1184 E1185R1177-A1181 WeakPolarHBondContact O-CB 3.35Å; R1177-A1181 PolarHBondContact O-N 2.87Å; T1178-A1181 PolarHBondContact O-N 3.43Å; F1179-A1181 VanDerWaalsContact C-N 3.34Å; F1179-A1181 PolarHBondContact O-N 3.15Å; A1181-E1184 PolarHBondContact O-N 2.92Å; A1181-E1185 VanDerWaalsContact O-CB 3.31Å; A1181-E1185 WeakPolarHBondContact O-CB 3.32Å; A1181-E1185 PolarHBondContact O-N 3.38Å
1182K89.1Confident86.5Confident61 Ų6169 Ų6927%0.26535%0.353SS..Hα-helixtrans-61.3-43.4172.1-83.5177.2169.9176.70112.1T1178 F1179 K1180 E1185 L1186 E1231 P1233T1178-K1182 PolarHBondContact O-N 3.29Å; F1179-K1182 WeakPolarHBondContact O-CB 3.3Å; F1179-K1182 PolarHBondContact O-N 3.31Å; K1180-K1182 VanDerWaalsContact C-N 3.35Å; K1180-K1182 PolarHBondContact O-N 2.65Å; K1182-E1185 PolarHBondContact O-N 3.3Å; K1182-L1186 PolarHBondContact O-N 2.97Å; K1182-E1231 PolarHBondContact NZ-O 2.88Å; K1182-P1233 HydrophobicContact CD-CB 4.49Å
1183L91.4Very high87.2Confident1 Ų171.6 Ų71.61%0.00537%0.367CS..Hα-helixtrans-64.3-44176.8-67.3175000111.7F1179 K1180 E1185 L1186 W1187 V1201 I1202 F1205 L1228 I1230F1179-L1183 HydrophobicContact CD1-CD1 3.94Å; F1179-L1183 HydrophobicContact CD1-CG 4.28Å; F1179-L1183 HydrophobicContact CE1-CD1 3.71Å; F1179-L1183 HydrophobicContact CE1-CD2 4.3Å; F1179-L1183 HydrophobicContact CE1-CG 4.06Å; F1179-L1183 HydrophobicContact CZ-CD2 4.35Å; F1179-L1183 HydrophobicContact CZ-CG 4.48Å; F1179-L1183 WeakPolarHBondContact O-CG 3.34Å; F1179-L1183 PolarHBondContact O-N 3.19Å; K1180-L1183 PolarHBondContact O-N 2.84Å; K1180-L1183 VanDerWaalsContact O-N 3.17Å; L1183-E1185 VanDerWaalsContact C-N 3.34Å; L1183-L1186 PolarHBondContact O-N 3.3Å; L1183-W1187 WeakPolarHBondContact O-CB 3.48Å; L1183-W1187 PolarHBondContact O-N 3.5Å; L1183-V1201 HydrophobicContact CD1-CG1 4.23Å; L1183-V1201 HydrophobicContact CD2-CG1 3.84Å; L1183-I1202 HydrophobicContact CB-CD1 4.24Å; L1183-I1202 HydrophobicContact CB-CG1 3.66Å; L1183-I1202 HydrophobicContact CD1-CG1 4.31Å; L1183-F1205 HydrophobicContact CD1-CB 4.12Å; L1183-F1205 HydrophobicContact CD1-CD1 4.07Å; L1183-F1205 HydrophobicContact CD1-CG 4.19Å; L1183-L1228 HydrophobicContact CD2-CD1 3.45Å; L1183-L1228 VanDerWaalsContact CD2-CD1 3.45Å; L1183-I1230 HydrophobicContact CD2-CD1 3.63Å; L1183-I1230 HydrophobicContact CG-CD1 4.46Å
1184E92.1Very high87.8Confident94 Ų9474.9 Ų74.944%0.43938%0.381SS..Hα-helixtrans-63.9-37.3175.5-70.5174.1169.200111.9K1180 A1181 W1187 A1188 I1202K1180-E1184 WeakPolarHBondContact CE-OE1 3.37Å; K1180-E1184 HydrophobicContact CG-CG 4.4Å; K1180-E1184 IonicContact NZ-OE1 3.68Å; K1180-E1184 WeakPolarHBondContact O-CG 3.41Å; K1180-E1184 PolarHBondContact O-N 3.28Å; A1181-E1184 PolarHBondContact O-N 2.92Å; E1184-W1187 PolarHBondContact O-N 2.93Å; E1184-A1188 WeakPolarHBondContact O-CB 3.35Å; E1184-A1188 PolarHBondContact O-N 3.45Å; E1184-I1202 HydrophobicContact CG-CD1 4.35Å
1185E89.6Confident88.6Confident85 Ų8571.3 Ų71.340%0.39736%0.358SS..Hα-helixtrans-64.1-41.4173.7-175.5-175.9168.900112.2A1181 K1182 L1183 A1188 R1189A1181-E1185 VanDerWaalsContact O-CB 3.31Å; A1181-E1185 WeakPolarHBondContact O-CB 3.32Å; A1181-E1185 PolarHBondContact O-N 3.38Å; K1182-E1185 PolarHBondContact O-N 3.3Å; L1183-E1185 VanDerWaalsContact C-N 3.34Å; E1185-A1188 PolarHBondContact O-N 3.37Å; E1185-R1189 WeakPolarHBondContact O-CG 3.4Å; E1185-R1189 PolarHBondContact O-N 3.19Å; E1185-R1189 IonicContact OE1-CZ 3.3Å; E1185-R1189 IonicContact OE1-NH1 3.08Å; E1185-R1189 PolarHBondContact OE1-NH1 3.37Å; E1185-R1189 IonicContact OE1-NH2 3.13Å; E1185-R1189 PolarHBondContact OE1-NH2 3.01Å
1186L88.7Confident88.8Confident47 Ų4775 Ų7525%0.24637%0.374CS..Hα-helixtrans-63.8-47.7172-75.7-175000111.5K1182 L1183 A1188 R1189 A1190 I1198 L1228 I1230K1182-L1186 PolarHBondContact O-N 2.97Å; L1183-L1186 PolarHBondContact O-N 3.3Å; L1186-A1188 PolarHBondContact O-N 2.92Å; L1186-R1189 PolarHBondContact O-N 2.97Å; L1186-A1190 PolarHBondContact O-N 3.36Å; L1186-I1198 HydrophobicContact CB-CD1 3.98Å; L1186-I1198 HydrophobicContact CB-CG2 4.28Å; L1186-L1228 HydrophobicContact CD1-CB 4.14Å; L1186-L1228 HydrophobicContact CD1-CD1 4.03Å; L1186-I1230 HydrophobicContact CD1-CD1 4.28Å; L1186-I1230 HydrophobicContact CD1-CG2 3.55Å; L1186-I1230 HydrophobicContact CG-CG2 4.36Å
1187W93Very high88.9Confident104 Ų10478.8 Ų78.839%0.39439%0.392SS..Hα-helixtrans-60.4-34.1178.8-169.591.5000112.4L1183 E1184 R1189 R1195 I1198 I1202L1183-W1187 WeakPolarHBondContact O-CB 3.48Å; L1183-W1187 PolarHBondContact O-N 3.5Å; E1184-W1187 PolarHBondContact O-N 2.93Å; W1187-R1189 VanDerWaalsContact C-N 3.32Å; W1187-R1189 PolarHBondContact O-N 2.88Å; W1187-R1195 VanDerWaalsContact CD1-O 3.24Å; W1187-R1195 HydrophobicContact CD2-CG 4.02Å; W1187-R1195 VanDerWaalsContact CE2-CG 3.44Å; W1187-R1195 HydrophobicContact CG-CG 4.21Å; W1187-R1195 HydrophobicContact CZ2-CG 3.81Å; W1187-R1195 VanDerWaalsContact NE1-CG 3.31Å; W1187-R1195 PolarHBondContact NE1-O 2.69Å; W1187-R1195 VanDerWaalsContact NE1-O 3.07Å; W1187-R1195 PolarHBondContact O-NE 3.4Å; W1187-R1195 PolarHBondContact O-NH2 2.93Å; W1187-I1198 HydrophobicContact CB-CG2 3.8Å; W1187-I1198 HydrophobicContact CG-CG2 4.44Å; W1187-I1202 HydrophobicContact CB-CD1 3.77Å; W1187-I1202 HydrophobicContact CG-CD1 4.06Å
1188A89.6Confident89.3Confident53 Ų5371.5 Ų71.544%0.43836%0.364SS..Hα-helixtrans-67-30.4174.300000113E1184 E1185 L1186 R1195E1184-A1188 WeakPolarHBondContact O-CB 3.35Å; E1184-A1188 PolarHBondContact O-N 3.45Å; E1185-A1188 PolarHBondContact O-N 3.37Å; L1186-A1188 PolarHBondContact O-N 2.92Å; A1188-R1195 PolarHBondContact O-NH2 3.49Å
1189R86.2Confident89.8Confident158 Ų15869.8 Ų69.860%0.59636%0.357SS*.Hα-helixtrans-88.1-32.8179.6-71.9179.2176.1135.913.3114.4E1185 L1186 W1187E1185-R1189 WeakPolarHBondContact O-CG 3.4Å; E1185-R1189 PolarHBondContact O-N 3.19Å; E1185-R1189 IonicContact OE1-CZ 3.3Å; E1185-R1189 IonicContact OE1-NH1 3.08Å; E1185-R1189 PolarHBondContact OE1-NH1 3.37Å; E1185-R1189 IonicContact OE1-NH2 3.13Å; E1185-R1189 PolarHBondContact OE1-NH2 3.01Å; L1186-R1189 PolarHBondContact O-N 2.97Å; W1187-R1189 VanDerWaalsContact C-N 3.32Å; W1187-R1189 PolarHBondContact O-N 2.88Å
1190A85Confident89.9Confident5 Ų576.8 Ų76.84%0.04138%0.384CS..  trans-71.5153.5-177.800000113.1L1186 E1194 R1195 I1198L1186-A1190 PolarHBondContact O-N 3.36Å; A1190-E1194 HydrophobicContact CB-CB 4.17Å; A1190-E1194 HydrophobicContact CB-CG 3.85Å; A1190-R1195 HydrophobicContact CB-CB 4.07Å; A1190-R1195 PolarHBondContact O-NE 2.95Å; A1190-I1198 HydrophobicContact CB-CD1 3.56Å
1191L86.6Confident90Very high133 Ų13375 Ų7570%0.69638%0.377SS*.  trans-135.8152.9176.6-66.2175.9000110.4
1192G88.9Confident90.2Very high55 Ų5573.7 Ų73.757%0.56736%0.364SS*.THydrogen-bonded Turntrans61.4-140.5-179.900000112.5E1194 R1195G1192-E1194 VanDerWaalsContact C-N 3.31Å; G1192-E1194 PolarHBondContact O-N 3.41Å; G1192-R1195 VanDerWaalsContact O-CB 3.32Å; G1192-R1195 WeakPolarHBondContact O-CB 3.31Å; G1192-R1195 PolarHBondContact O-N 3.13Å
1193D88.7Confident90.5Very high132 Ų13275.2 Ų75.271%0.70638%0.378SS*.Hα-helixtrans-57.6-39.4-171.6-51.3-16.9000113R1195 E1196 E1197D1193-R1195 PolarHBondContact O-N 2.91Å; D1193-E1196 PolarHBondContact O-N 2.92Å; D1193-E1197 PolarHBondContact O-N 2.93Å
1194E87.5Confident90.5Very high120 Ų12078.7 Ų78.756%0.56140%0.397SS*.Hα-helixtrans-57-34.8177.1-172.9-177.3-15400111.8A1190 G1192 E1197 I1198A1190-E1194 HydrophobicContact CB-CB 4.17Å; A1190-E1194 HydrophobicContact CB-CG 3.85Å; G1192-E1194 VanDerWaalsContact C-N 3.31Å; G1192-E1194 PolarHBondContact O-N 3.41Å; E1194-E1197 PolarHBondContact O-N 2.74Å; E1194-I1198 HydrophobicContact CG-CD1 4.07Å; E1194-I1198 WeakPolarHBondContact O-CD1 3.43Å; E1194-I1198 WeakPolarHBondContact O-CG1 3.5Å; E1194-I1198 PolarHBondContact O-N 2.92Å
1195R92.2Very high90.6Very high71 Ų7174.3 Ų74.327%0.26838%0.376SS..Hα-helixtrans-71.9-34177.2-174.1175.2-118.5176.86.8112.5W1187 A1188 A1190 G1192 D1193 G1199W1187-R1195 VanDerWaalsContact CD1-O 3.24Å; W1187-R1195 HydrophobicContact CD2-CG 4.02Å; W1187-R1195 VanDerWaalsContact CE2-CG 3.44Å; W1187-R1195 HydrophobicContact CG-CG 4.21Å; W1187-R1195 HydrophobicContact CZ2-CG 3.81Å; W1187-R1195 VanDerWaalsContact NE1-CG 3.31Å; W1187-R1195 PolarHBondContact NE1-O 2.69Å; W1187-R1195 VanDerWaalsContact NE1-O 3.07Å; W1187-R1195 PolarHBondContact O-NE 3.4Å; W1187-R1195 PolarHBondContact O-NH2 2.93Å; A1188-R1195 PolarHBondContact O-NH2 3.49Å; A1190-R1195 HydrophobicContact CB-CB 4.07Å; A1190-R1195 PolarHBondContact O-NE 2.95Å; G1192-R1195 VanDerWaalsContact O-CB 3.32Å; G1192-R1195 WeakPolarHBondContact O-CB 3.31Å; G1192-R1195 PolarHBondContact O-N 3.13Å; D1193-R1195 PolarHBondContact O-N 2.91Å; R1195-G1199 PolarHBondContact O-N 2.78Å
1196E90Very high90.7Very high139 Ų13972.3 Ų72.365%0.6537%0.368SS*.Hα-helixtrans-73.4-30.7173.3-68.1-163.5166.700112.4D1193 R1200D1193-E1196 PolarHBondContact O-N 2.92Å; E1196-R1200 WeakPolarHBondContact O-CG 3.28Å; E1196-R1200 PolarHBondContact O-N 3.11Å; E1196-R1200 PolarHBondContact O-NE 2.98Å
1197E90.8Very high90.7Very high81 Ų8171.9 Ų71.938%0.37937%0.371SS..Hα-helixtrans-66.8-52.4172.3-70.4-173.6156.400111.3D1193 E1194 G1199 R1200 V1201 Y1227D1193-E1197 PolarHBondContact O-N 2.93Å; E1194-E1197 PolarHBondContact O-N 2.74Å; E1197-G1199 VanDerWaalsContact C-N 3.28Å; E1197-G1199 PolarHBondContact O-N 3.14Å; E1197-R1200 PolarHBondContact O-N 3.33Å; E1197-R1200 VanDerWaalsContact O-N 3.17Å; E1197-V1201 PolarHBondContact O-N 2.83Å; E1197-V1201 VanDerWaalsContact O-N 3.16Å; E1197-Y1227 HydrophobicContact CB-CE1 4.44Å; E1197-Y1227 PolarHBondContact OE1-OH 2.83Å; E1197-Y1227 PolarHBondContact OE2-OH 3.43Å
1198I91.4Very high90.5Very high4 Ų467 Ų672%0.02135%0.353CS..Hα-helixtrans-62.3-36.5176.8-60.8155.4000111.3L1186 W1187 A1190 E1194 R1200 V1201 I1202 L1228L1186-I1198 HydrophobicContact CB-CD1 3.98Å; L1186-I1198 HydrophobicContact CB-CG2 4.28Å; W1187-I1198 HydrophobicContact CB-CG2 3.8Å; W1187-I1198 HydrophobicContact CG-CG2 4.44Å; A1190-I1198 HydrophobicContact CB-CD1 3.56Å; E1194-I1198 HydrophobicContact CG-CD1 4.07Å; E1194-I1198 WeakPolarHBondContact O-CD1 3.43Å; E1194-I1198 WeakPolarHBondContact O-CG1 3.5Å; E1194-I1198 PolarHBondContact O-N 2.92Å; I1198-R1200 VanDerWaalsContact C-N 3.31Å; I1198-R1200 PolarHBondContact O-N 3.48Å; I1198-V1201 WeakPolarHBondContact O-CB 3.5Å; I1198-V1201 PolarHBondContact O-N 3.44Å; I1198-V1201 VanDerWaalsContact O-N 3.13Å; I1198-I1202 HydrophobicContact CG2-CD1 4.1Å; I1198-I1202 HydrophobicContact CG2-CG1 4.41Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; I1198-I1202 PolarHBondContact O-N 2.9Å; I1198-L1228 HydrophobicContact CG1-CD1 4.25Å; I1198-L1228 HydrophobicContact CG1-CD2 3.8Å; I1198-L1228 HydrophobicContact CG2-CD1 4.42Å
1199G93.3Very high90.3Very high19 Ų1965 Ų6520%0.19634%0.335CS..Hα-helixtrans-61.7-36.6177.100000113.3R1195 E1197 T1203R1195-G1199 PolarHBondContact O-N 2.78Å; E1197-G1199 VanDerWaalsContact C-N 3.28Å; E1197-G1199 PolarHBondContact O-N 3.14Å; G1199-T1203 PolarHBondContact O-N 2.88Å; G1199-T1203 VanDerWaalsContact O-N 3.1Å; G1199-T1203 PolarHBondContact O-OG1 3.13Å
1200R93.7Very high90Very high147 Ų14764.6 Ų64.656%0.55534%0.34SS*.Hα-helixtrans-66.8-42.1172-76.8175.3-81.7177.8-3.7111.5E1196 E1197 I1198 I1202 T1203 D1204E1196-R1200 WeakPolarHBondContact O-CG 3.28Å; E1196-R1200 PolarHBondContact O-N 3.11Å; E1196-R1200 PolarHBondContact O-NE 2.98Å; E1197-R1200 PolarHBondContact O-N 3.33Å; E1197-R1200 VanDerWaalsContact O-N 3.17Å; I1198-R1200 VanDerWaalsContact C-N 3.31Å; I1198-R1200 PolarHBondContact O-N 3.48Å; R1200-I1202 PolarHBondContact O-N 2.98Å; R1200-T1203 PolarHBondContact O-N 2.8Å; R1200-D1204 PolarHBondContact O-N 3.35Å
1201V93.4Very high89.6Confident16 Ų1666 Ų6610%0.09735%0.349CS..Hα-helixtrans-61.3-42.7176178.40000112.1L1183 E1197 I1198 D1204 F1205 A1224 Y1227 L1228L1183-V1201 HydrophobicContact CD1-CG1 4.23Å; L1183-V1201 HydrophobicContact CD2-CG1 3.84Å; E1197-V1201 PolarHBondContact O-N 2.83Å; E1197-V1201 VanDerWaalsContact O-N 3.16Å; I1198-V1201 WeakPolarHBondContact O-CB 3.5Å; I1198-V1201 PolarHBondContact O-N 3.44Å; I1198-V1201 VanDerWaalsContact O-N 3.13Å; V1201-D1204 PolarHBondContact O-N 3.34Å; V1201-F1205 WeakPolarHBondContact O-CB 3.45Å; V1201-F1205 PolarHBondContact O-N 2.96Å; V1201-A1224 HydrophobicContact CG1-CB 3.39Å; V1201-Y1227 HydrophobicContact CG2-CD1 3.82Å; V1201-Y1227 HydrophobicContact CG2-CE1 3.99Å; V1201-L1228 HydrophobicContact CB-CD1 4.27Å; V1201-L1228 HydrophobicContact CG1-CD1 3.95Å; V1201-L1228 HydrophobicContact CG2-CD1 4.3Å
1202I93.6Very high88.8Confident23 Ų2360.2 Ų60.212%0.11832%0.319CS..Hα-helixtrans-60.7-45.2174.5-69.1167.1000110.9L1183 E1184 W1187 I1198 R1200 D1204 F1205 D1206L1183-I1202 HydrophobicContact CB-CD1 4.24Å; L1183-I1202 HydrophobicContact CB-CG1 3.66Å; L1183-I1202 HydrophobicContact CD1-CG1 4.31Å; E1184-I1202 HydrophobicContact CG-CD1 4.35Å; W1187-I1202 HydrophobicContact CB-CD1 3.77Å; W1187-I1202 HydrophobicContact CG-CD1 4.06Å; I1198-I1202 HydrophobicContact CG2-CD1 4.1Å; I1198-I1202 HydrophobicContact CG2-CG1 4.41Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; I1198-I1202 PolarHBondContact O-N 2.9Å; R1200-I1202 PolarHBondContact O-N 2.98Å; I1202-D1204 PolarHBondContact O-N 3.42Å; I1202-F1205 PolarHBondContact O-N 2.9Å; I1202-D1206 PolarHBondContact O-N 2.72Å
1203T93.9Very high87.9Confident93 Ų9359 Ų5957%0.57130%0.3SS*.Hα-helixtrans-62.7-43.9-179.2-54.40000111.6G1199 R1200 F1205 D1206 A1207G1199-T1203 PolarHBondContact O-N 2.88Å; G1199-T1203 VanDerWaalsContact O-N 3.1Å; G1199-T1203 PolarHBondContact O-OG1 3.13Å; R1200-T1203 PolarHBondContact O-N 2.8Å; T1203-F1205 VanDerWaalsContact C-N 3.35Å; T1203-D1206 PolarHBondContact O-N 2.85Å; T1203-A1207 WeakPolarHBondContact O-CB 3.5Å; T1203-A1207 PolarHBondContact O-N 3.05Å
1204D92.7Very high87.3Confident74 Ų7455.4 Ų55.440%0.39628%0.279SS..Hα-helixtrans-63.2-39.6175.1-85.615.4000112R1200 V1201 I1202 A1207 A1208 V1220 R1223R1200-D1204 PolarHBondContact O-N 3.35Å; V1201-D1204 PolarHBondContact O-N 3.34Å; I1202-D1204 PolarHBondContact O-N 3.42Å; D1204-A1207 PolarHBondContact O-N 2.84Å; D1204-A1208 PolarHBondContact O-N 3.06Å; D1204-V1220 HydrophobicContact CB-CG1 4.23Å; D1204-R1223 IonicContact OD2-CZ 2.69Å; D1204-R1223 IonicContact OD2-NH2 2.69Å; D1204-R1223 PolarHBondContact OD2-NH2 3.21Å
1205F93.6Very high86.4Confident1 Ų152.9 Ų52.90%0.00428%0.279CS..Hα-helixtrans-69.3-41.9178.5-169.5-117.8000112.1N1176 F1179 K1180 L1183 V1201 I1202 T1203 A1207 A1208 L1209 V1217 V1220 R1221N1176-F1205 HydrophobicContact CB-CZ 4.23Å; F1179-F1205 HydrophobicContact CB-CE1 4.43Å; F1179-F1205 HydrophobicContact CB-CZ 4.33Å; F1179-F1205 HydrophobicContact CD1-CD1 4.15Å; F1179-F1205 HydrophobicContact CD1-CD2 4.21Å; F1179-F1205 AromaticContact CD1-CE1 3.79Å; F1179-F1205 HydrophobicContact CD1-CE1 3.79Å; F1179-F1205 AromaticContact CD1-CE2 3.88Å; F1179-F1205 HydrophobicContact CD1-CE2 3.88Å; F1179-F1205 HydrophobicContact CD1-CG 4.36Å; F1179-F1205 AromaticContact CD1-CZ 3.66Å; F1179-F1205 HydrophobicContact CD1-CZ 3.66Å; F1179-F1205 HydrophobicContact CE1-CD2 4.34Å; F1179-F1205 HydrophobicContact CE1-CE2 4.34Å; F1179-F1205 HydrophobicContact CG-CZ 4.43Å; K1180-F1205 HydrophobicContact CB-CD1 4.28Å; K1180-F1205 HydrophobicContact CB-CE1 4.04Å; L1183-F1205 HydrophobicContact CD1-CB 4.12Å; L1183-F1205 HydrophobicContact CD1-CD1 4.07Å; L1183-F1205 HydrophobicContact CD1-CG 4.19Å; V1201-F1205 WeakPolarHBondContact O-CB 3.45Å; V1201-F1205 PolarHBondContact O-N 2.96Å; I1202-F1205 PolarHBondContact O-N 2.9Å; T1203-F1205 VanDerWaalsContact C-N 3.35Å; F1205-A1207 VanDerWaalsContact C-N 3.35Å; F1205-A1207 PolarHBondContact O-N 2.94Å; F1205-A1208 WeakPolarHBondContact O-CB 3.5Å; F1205-A1208 PolarHBondContact O-N 3.02Å; F1205-A1208 VanDerWaalsContact O-N 3.14Å; F1205-L1209 HydrophobicContact CD1-CD1 3.94Å; F1205-L1209 HydrophobicContact CD1-CG 4.38Å; F1205-L1209 HydrophobicContact CE1-CD1 3.68Å; F1205-L1209 HydrophobicContact CE1-CD2 4.33Å; F1205-L1209 HydrophobicContact CE1-CG 4.11Å; F1205-L1209 HydrophobicContact CZ-CD1 4.25Å; F1205-L1209 HydrophobicContact CZ-CD2 4.06Å; F1205-L1209 HydrophobicContact CZ-CG 4.23Å; F1205-L1209 WeakPolarHBondContact O-CG 3.25Å; F1205-L1209 PolarHBondContact O-N 3.3Å; F1205-V1217 HydrophobicContact CE2-CG1 3.83Å; F1205-V1217 HydrophobicContact CZ-CG1 4.18Å; F1205-V1220 HydrophobicContact CB-CG1 4.24Å; F1205-V1220 HydrophobicContact CD2-CG1 4.13Å; F1205-R1221 HydrophobicContact CE2-CB 3.92Å
1206D91.4Very high86Confident44 Ų4454.4 Ų54.424%0.23528%0.284CS..Hα-helixtrans-64.1-38.8174.5-89.2-12.5000112.2K1180 I1202 T1203 A1208 L1209 Q1210K1180-D1206 WeakPolarHBondContact CD-OD1 3.33Å; K1180-D1206 WeakPolarHBondContact CE-OD1 3.39Å; K1180-D1206 IonicContact NZ-OD1 3.57Å; K1180-D1206 PolarHBondContact NZ-OD1 3.21Å; K1180-D1206 IonicContact NZ-OD2 3.26Å; K1180-D1206 PolarHBondContact NZ-OD2 3.33Å; I1202-D1206 PolarHBondContact O-N 2.72Å; T1203-D1206 PolarHBondContact O-N 2.85Å; D1206-A1208 VanDerWaalsContact C-N 3.28Å; D1206-A1208 PolarHBondContact O-N 3.46Å; D1206-L1209 PolarHBondContact O-N 2.86Å; D1206-Q1210 WeakPolarHBondContact O-CB 3.48Å; D1206-Q1210 VanDerWaalsContact O-CG 3.29Å; D1206-Q1210 WeakPolarHBondContact O-CG 3.35Å; D1206-Q1210 PolarHBondContact O-N 2.93Å
1207A89Confident85.8Confident38 Ų3847.8 Ų47.831%0.31425%0.253SS..Hα-helixtrans-64.7-30.9173.200000112.8T1203 D1204 F1205 S1211T1203-A1207 WeakPolarHBondContact O-CB 3.5Å; T1203-A1207 PolarHBondContact O-N 3.05Å; D1204-A1207 PolarHBondContact O-N 2.84Å; F1205-A1207 VanDerWaalsContact C-N 3.35Å; F1205-A1207 PolarHBondContact O-N 2.94Å; A1207-S1211 PolarHBondContact O-N 2.92Å
1208A88.8Confident85.4Confident0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-71.7-46.2172.200000111.6D1204 F1205 D1206 Q1210 S1211 R1216 V1217 V1220D1204-A1208 PolarHBondContact O-N 3.06Å; F1205-A1208 WeakPolarHBondContact O-CB 3.5Å; F1205-A1208 PolarHBondContact O-N 3.02Å; F1205-A1208 VanDerWaalsContact O-N 3.14Å; D1206-A1208 VanDerWaalsContact C-N 3.28Å; D1206-A1208 PolarHBondContact O-N 3.46Å; A1208-Q1210 VanDerWaalsContact C-N 3.28Å; A1208-Q1210 PolarHBondContact O-N 2.9Å; A1208-S1211 PolarHBondContact O-N 3.46Å; A1208-S1211 VanDerWaalsContact O-N 3.1Å; A1208-S1211 PolarHBondContact O-OG 3.3Å; A1208-R1216 HydrophobicContact CB-CG 4.17Å; A1208-V1217 VanDerWaalsContact C-CG2 3.48Å; A1208-V1217 HydrophobicContact CB-CG2 3.92Å; A1208-V1217 WeakPolarHBondContact O-CG2 3.46Å; A1208-V1220 HydrophobicContact CB-CB 4.23Å; A1208-V1220 HydrophobicContact CB-CG2 4.1Å
1209L85.4Confident85.2Confident12 Ų1250.5 Ų50.56%0.06327%0.268CS..Hα-helixtrans-60.7-36176.7-67.9176.2000112.5P1170 N1176 F1205 D1206 S1211 N1212 V1217P1170-L1209 HydrophobicContact CB-CD2 4.22Å; N1176-L1209 HydrophobicContact CB-CD2 3.87Å; F1205-L1209 HydrophobicContact CD1-CD1 3.94Å; F1205-L1209 HydrophobicContact CD1-CG 4.38Å; F1205-L1209 HydrophobicContact CE1-CD1 3.68Å; F1205-L1209 HydrophobicContact CE1-CD2 4.33Å; F1205-L1209 HydrophobicContact CE1-CG 4.11Å; F1205-L1209 HydrophobicContact CZ-CD1 4.25Å; F1205-L1209 HydrophobicContact CZ-CD2 4.06Å; F1205-L1209 HydrophobicContact CZ-CG 4.23Å; F1205-L1209 WeakPolarHBondContact O-CG 3.25Å; F1205-L1209 PolarHBondContact O-N 3.3Å; D1206-L1209 PolarHBondContact O-N 2.86Å; L1209-S1211 VanDerWaalsContact C-N 3.34Å; L1209-N1212 PolarHBondContact O-N 2.85Å; L1209-V1217 HydrophobicContact CD2-CG1 3.82Å; L1209-V1217 HydrophobicContact CD2-CG2 3.89Å; L1209-V1217 HydrophobicContact CG-CG2 4.47Å
1210Q79.7Confident85Confident149 Ų14950.1 Ų50.170%0.69626%0.262SS*.Hα-helixtrans-69.7-27.6175.8-75.2176.6900113.5D1206 A1208 N1212D1206-Q1210 WeakPolarHBondContact O-CB 3.48Å; D1206-Q1210 VanDerWaalsContact O-CG 3.29Å; D1206-Q1210 WeakPolarHBondContact O-CG 3.35Å; D1206-Q1210 PolarHBondContact O-N 2.93Å; A1208-Q1210 VanDerWaalsContact C-N 3.28Å; A1208-Q1210 PolarHBondContact O-N 2.9Å; Q1210-N1212 PolarHBondContact O-N 3.02Å
1211S77.5Confident84.9Confident34 Ų3444 Ų4424%0.23824%0.239CC..THydrogen-bonded Turntrans-77.82.217762.60000114.9A1207 A1208 L1209 D1213 R1216A1207-S1211 PolarHBondContact O-N 2.92Å; A1208-S1211 PolarHBondContact O-N 3.46Å; A1208-S1211 VanDerWaalsContact O-N 3.1Å; A1208-S1211 PolarHBondContact O-OG 3.3Å; L1209-S1211 VanDerWaalsContact C-N 3.34Å; S1211-D1213 PolarHBondContact O-N 3.15Å; S1211-R1216 VanDerWaalsContact CB-NH1 3.27Å; S1211-R1216 PolarHBondContact OG-NH1 3.24Å
1212N69.2Low84.7Confident12 Ų1250.2 Ų50.26%0.06426%0.26CS..THydrogen-bonded Turntrans49.428.9-179.9-56.2-53000114.2V1069 L1209 Q1210V1069-N1212 HydrophobicContact CG1-CB 3.74Å; V1069-N1212 PolarHBondContact O-ND2 2.98Å; L1209-N1212 PolarHBondContact O-N 2.85Å; Q1210-N1212 PolarHBondContact O-N 3.02Å
1213D71.1Confident84.5Confident30 Ų3055.2 Ų55.216%0.1628%0.278CS..  trans-109.8102.5-174.5-175.5-33.7000109.6R1068 S1211 A1215 R1216 V1217R1068-D1213 IonicContact CZ-OD1 2.71Å; R1068-D1213 IonicContact CZ-OD2 3.38Å; R1068-D1213 VanDerWaalsContact CZ-OD2 3.3Å; R1068-D1213 VanDerWaalsContact NH1-CB 3.29Å; R1068-D1213 IonicContact NH1-OD1 2.71Å; R1068-D1213 IonicContact NH1-OD2 3.74Å; R1068-D1213 PolarHBondContact NH1-OD2 3.38Å; R1068-D1213 IonicContact NH2-OD1 3.16Å; R1068-D1213 PolarHBondContact NH2-OD1 3.23Å; R1068-D1213 IonicContact NH2-OD2 3.15Å; R1068-D1213 PolarHBondContact NH2-OD2 3.15Å; S1211-D1213 PolarHBondContact O-N 3.15Å; D1213-A1215 VanDerWaalsContact C-N 3.34Å; D1213-A1215 PolarHBondContact O-N 3.23Å; D1213-A1215 WeakPolarHBondContact OD1-CB 3.31Å; D1213-A1215 PolarHBondContact OD1-N 2.93Å; D1213-R1216 HydrophobicContact CB-CB 3.82Å; D1213-R1216 PolarHBondContact O-N 3.09Å; D1213-R1216 PolarHBondContact OD1-N 3.39Å; D1213-V1217 WeakPolarHBondContact O-CB 3.34Å; D1213-V1217 WeakPolarHBondContact O-CG2 3.31Å; D1213-V1217 PolarHBondContact O-N 2.67Å
1214M74.7Confident84.3Confident57 Ų5751 Ų5128%0.28125%0.252SS..Hα-helixtrans-60.4-39.8179.5-81.3-57.6-59.700113P1170 M1173 R1216 V1217 D1218P1170-M1214 HydrophobicContact CB-SD 3.6Å; P1170-M1214 HydrophobicContact CG-CG 3.99Å; P1170-M1214 HydrophobicContact CG-SD 3.68Å; M1173-M1214 HydrophobicContact CE-CE 4.45Å; M1173-M1214 HydrophobicContact CE-SD 4.13Å; M1173-M1214 HydrophobicContact SD-CE 3.65Å; M1173-M1214 HydrophobicContact SD-SD 3.58Å; M1214-R1216 PolarHBondContact O-N 3.27Å; M1214-V1217 PolarHBondContact O-N 3.09Å; M1214-D1218 WeakPolarHBondContact O-CB 3.43Å; M1214-D1218 PolarHBondContact O-N 3Å
1215A69.8Low84Confident66 Ų6648.2 Ų48.255%0.54524%0.239SC..Hα-helixtrans-65.3-40.2-179.500000111.6D1213 D1218 E1219D1213-A1215 VanDerWaalsContact C-N 3.34Å; D1213-A1215 PolarHBondContact O-N 3.23Å; D1213-A1215 WeakPolarHBondContact OD1-CB 3.31Å; D1213-A1215 PolarHBondContact OD1-N 2.93Å; A1215-D1218 PolarHBondContact O-N 3.34Å; A1215-E1219 WeakPolarHBondContact O-CB 3.35Å; A1215-E1219 PolarHBondContact O-N 2.9Å
1216R82.5Confident83.6Confident103 Ų10353.8 Ų53.839%0.38927%0.268SS..Hα-helixtrans-69.5-39.4173.9-174.4-178171.9-163.8-0.1112.3A1208 S1211 D1213 M1214 D1218 E1219 V1220A1208-R1216 HydrophobicContact CB-CG 4.17Å; S1211-R1216 VanDerWaalsContact CB-NH1 3.27Å; S1211-R1216 PolarHBondContact OG-NH1 3.24Å; D1213-R1216 HydrophobicContact CB-CB 3.82Å; D1213-R1216 PolarHBondContact O-N 3.09Å; D1213-R1216 PolarHBondContact OD1-N 3.39Å; M1214-R1216 PolarHBondContact O-N 3.27Å; R1216-D1218 VanDerWaalsContact C-N 3.26Å; R1216-D1218 PolarHBondContact O-N 3Å; R1216-E1219 PolarHBondContact O-N 2.82Å; R1216-V1220 HydrophobicContact CG-CG2 4.43Å; R1216-V1220 WeakPolarHBondContact O-CB 3.49Å; R1216-V1220 VanDerWaalsContact O-CG2 3.31Å; R1216-V1220 WeakPolarHBondContact O-CG2 3.41Å; R1216-V1220 PolarHBondContact O-N 2.8Å
1217V85.4Confident83.3Confident0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-60.7-40.6174.2168.50000110.1P1170 N1176 F1205 A1208 L1209 D1213 M1214 R1221P1170-V1217 HydrophobicContact CB-CG2 4.15Å; N1176-V1217 WeakPolarHBondContact OD1-CG1 3.24Å; F1205-V1217 HydrophobicContact CE2-CG1 3.83Å; F1205-V1217 HydrophobicContact CZ-CG1 4.18Å; A1208-V1217 VanDerWaalsContact C-CG2 3.48Å; A1208-V1217 HydrophobicContact CB-CG2 3.92Å; A1208-V1217 WeakPolarHBondContact O-CG2 3.46Å; L1209-V1217 HydrophobicContact CD2-CG1 3.82Å; L1209-V1217 HydrophobicContact CD2-CG2 3.89Å; L1209-V1217 HydrophobicContact CG-CG2 4.47Å; D1213-V1217 WeakPolarHBondContact O-CB 3.34Å; D1213-V1217 WeakPolarHBondContact O-CG2 3.31Å; D1213-V1217 PolarHBondContact O-N 2.67Å; M1214-V1217 PolarHBondContact O-N 3.09Å; V1217-R1221 WeakPolarHBondContact O-CB 3.41Å; V1217-R1221 PolarHBondContact O-N 3.43Å
1218D83.5Confident83.1Confident52 Ų5257.5 Ų57.528%0.27827%0.274SS..Hα-helixtrans-72.6-40.2179-70.28.8000112.3M1214 A1215 R1216 R1221 R1222M1214-D1218 WeakPolarHBondContact O-CB 3.43Å; M1214-D1218 PolarHBondContact O-N 3Å; A1215-D1218 PolarHBondContact O-N 3.34Å; R1216-D1218 VanDerWaalsContact C-N 3.26Å; R1216-D1218 PolarHBondContact O-N 3Å; D1218-R1221 PolarHBondContact O-N 3.05Å; D1218-R1221 IonicContact OD1-CZ 2.67Å; D1218-R1221 IonicContact OD1-NE 2.73Å; D1218-R1221 IonicContact OD1-NH2 2.7Å; D1218-R1221 PolarHBondContact OD1-NH2 2.71Å; D1218-R1221 IonicContact OD2-NH2 3.71Å; D1218-R1222 VanDerWaalsContact O-CB 3.28Å; D1218-R1222 WeakPolarHBondContact O-CB 3.36Å; D1218-R1222 PolarHBondContact O-N 3.34Å
1219E87.1Confident82.8Confident90 Ų9061.9 Ų61.942%0.42131%0.311SS..Hα-helixtrans-58.8-51.7171.9-173.2-172.8163.100111R968 A1215 R1216 R1222 R1223R968-E1219 IonicContact NH1-OE2 3.31Å; R968-E1219 PolarHBondContact NH1-OE2 2.62Å; R968-E1219 VanDerWaalsContact NH1-OE2 3.14Å; A1215-E1219 WeakPolarHBondContact O-CB 3.35Å; A1215-E1219 PolarHBondContact O-N 2.9Å; R1216-E1219 PolarHBondContact O-N 2.82Å; E1219-R1222 PolarHBondContact O-N 2.83Å; E1219-R1223 WeakPolarHBondContact O-CB 3.42Å; E1219-R1223 PolarHBondContact O-N 2.98Å
1220V89.8Confident82.5Confident12 Ų1262.5 Ų62.57%0.07331%0.314CS..Hα-helixtrans-67.5-38.1-179.5176.40000111.1D1204 F1205 A1208 R1216 A1224D1204-V1220 HydrophobicContact CB-CG1 4.23Å; F1205-V1220 HydrophobicContact CB-CG1 4.24Å; F1205-V1220 HydrophobicContact CD2-CG1 4.13Å; A1208-V1220 HydrophobicContact CB-CB 4.23Å; A1208-V1220 HydrophobicContact CB-CG2 4.1Å; R1216-V1220 HydrophobicContact CG-CG2 4.43Å; R1216-V1220 WeakPolarHBondContact O-CB 3.49Å; R1216-V1220 VanDerWaalsContact O-CG2 3.31Å; R1216-V1220 WeakPolarHBondContact O-CG2 3.41Å; R1216-V1220 PolarHBondContact O-N 2.8Å; V1220-A1224 WeakPolarHBondContact O-CB 3.49Å; V1220-A1224 PolarHBondContact O-N 3.02Å
1221R91.6Very high82.2Confident18 Ų1863 Ų637%0.06832%0.316CS..Hα-helixtrans-62.7-45.4175178.3155.257.7112.1-8.1112.2N1176 F1179 F1205 V1217 D1218 A1224 S1225 I1232N1176-R1221 PolarHBondContact OD1-NE 2.61Å; F1179-R1221 HydrophobicContact CD1-CB 4.3Å; F1179-R1221 HydrophobicContact CD1-CG 3.81Å; F1179-R1221 HydrophobicContact CD2-CG 4.01Å; F1179-R1221 HydrophobicContact CE1-CB 4.11Å; F1179-R1221 HydrophobicContact CE1-CG 3.84Å; F1179-R1221 HydrophobicContact CE2-CG 4.04Å; F1179-R1221 HydrophobicContact CG-CG 3.89Å; F1179-R1221 HydrophobicContact CZ-CB 4.49Å; F1179-R1221 HydrophobicContact CZ-CG 3.95Å; F1179-R1221 VanDerWaalsContact CZ-O 3.32Å; F1179-R1221 WeakPolarHBondContact CZ-O 3.46Å; F1205-R1221 HydrophobicContact CE2-CB 3.92Å; V1217-R1221 WeakPolarHBondContact O-CB 3.41Å; V1217-R1221 PolarHBondContact O-N 3.43Å; D1218-R1221 PolarHBondContact O-N 3.05Å; D1218-R1221 IonicContact OD1-CZ 2.67Å; D1218-R1221 IonicContact OD1-NE 2.73Å; D1218-R1221 IonicContact OD1-NH2 2.7Å; D1218-R1221 PolarHBondContact OD1-NH2 2.71Å; D1218-R1221 IonicContact OD2-NH2 3.71Å; R1221-A1224 PolarHBondContact O-N 2.97Å; R1221-S1225 VanDerWaalsContact O-CB 3.25Å; R1221-S1225 WeakPolarHBondContact O-CB 3.49Å; R1221-S1225 PolarHBondContact O-N 2.99Å; R1221-I1232 HydrophobicContact CG-CD1 4.41Å; R1221-I1232 HydrophobicContact CG-CG1 4.44Å; R1221-I1232 HydrophobicContact CG-CG2 4.19Å; R1221-I1232 VanDerWaalsContact NH1-CG2 3.28Å
1222R88.1Confident81.8Confident147 Ų14764.5 Ų64.556%0.55532%0.321SS*.Hα-helixtrans-63.8-49.1176-165.2-173.3-53.9141.34.7111.1D1218 E1219 A1224 S1225 D1226D1218-R1222 VanDerWaalsContact O-CB 3.28Å; D1218-R1222 WeakPolarHBondContact O-CB 3.36Å; D1218-R1222 PolarHBondContact O-N 3.34Å; E1219-R1222 PolarHBondContact O-N 2.83Å; R1222-A1224 VanDerWaalsContact C-N 3.3Å; R1222-A1224 PolarHBondContact O-N 2.77Å; R1222-S1225 WeakPolarHBondContact O-CA 3.38Å; R1222-S1225 VanDerWaalsContact O-CB 3.3Å; R1222-S1225 WeakPolarHBondContact O-CB 3.45Å; R1222-S1225 PolarHBondContact O-N 2.77Å; R1222-S1225 VanDerWaalsContact O-N 3.11Å; R1222-D1226 VanDerWaalsContact O-CG 3.26Å; R1222-D1226 PolarHBondContact O-N 3.47Å
1223R89.1Confident81.1Confident128 Ų12867.5 Ų67.548%0.48334%0.341SS..Hα-helixtrans-59.6-38.7176.7-167.9-173.870172.47.4112.6D1204 E1219 Y1227D1204-R1223 IonicContact OD2-CZ 2.69Å; D1204-R1223 IonicContact OD2-NH2 2.69Å; D1204-R1223 PolarHBondContact OD2-NH2 3.21Å; E1219-R1223 WeakPolarHBondContact O-CB 3.42Å; E1219-R1223 PolarHBondContact O-N 2.98Å; R1223-Y1227 WeakPolarHBondContact O-CB 3.28Å; R1223-Y1227 PolarHBondContact O-N 2.85Å
1224A89.4Confident81.6Confident4 Ų469.4 Ų69.43%0.03335%0.35CS..Hα-helixtrans-69.8-39.2175.100000112.6F1179 V1201 V1220 R1221 R1222 L1228F1179-A1224 HydrophobicContact CE1-CB 3.82Å; F1179-A1224 HydrophobicContact CZ-CB 3.68Å; V1201-A1224 HydrophobicContact CG1-CB 3.39Å; V1220-A1224 WeakPolarHBondContact O-CB 3.49Å; V1220-A1224 PolarHBondContact O-N 3.02Å; R1221-A1224 PolarHBondContact O-N 2.97Å; R1222-A1224 VanDerWaalsContact C-N 3.3Å; R1222-A1224 PolarHBondContact O-N 2.77Å; A1224-L1228 WeakPolarHBondContact O-CB 3.45Å; A1224-L1228 PolarHBondContact O-N 2.89Å
1225S87.2Confident81.9Confident16 Ų1670 Ų7011%0.11235%0.353CS..Hα-helixtrans-58.9-51.6172.8158.90000111.5R1221 R1222 A1229 I1230R1221-S1225 VanDerWaalsContact O-CB 3.25Å; R1221-S1225 WeakPolarHBondContact O-CB 3.49Å; R1221-S1225 PolarHBondContact O-N 2.99Å; R1222-S1225 WeakPolarHBondContact O-CA 3.38Å; R1222-S1225 VanDerWaalsContact O-CB 3.3Å; R1222-S1225 WeakPolarHBondContact O-CB 3.45Å; R1222-S1225 PolarHBondContact O-N 2.77Å; R1222-S1225 VanDerWaalsContact O-N 3.11Å; S1225-A1229 VanDerWaalsContact O-CA 3.27Å; S1225-A1229 WeakPolarHBondContact O-CA 3.28Å; S1225-A1229 PolarHBondContact O-N 3.33Å; S1225-I1230 WeakPolarHBondContact CB-O 3.19Å; S1225-I1230 PolarHBondContact O-N 2.83Å; S1225-I1230 VanDerWaalsContact O-N 3.08Å; S1225-I1230 PolarHBondContact OG-O 2.9Å
1226D84.7Confident82.6Confident117 Ų11770.2 Ų70.263%0.62634%0.343SS*.Hα-helixtrans-64.3-42.8179.5-62.1-25.7000111.9R1222R1222-D1226 VanDerWaalsContact O-CG 3.26Å; R1222-D1226 PolarHBondContact O-N 3.47Å
1227Y85.7Confident82.6Confident124 Ų12468.3 Ų68.349%0.48634%0.34SS..Hα-helixtrans-71.4-37.6-177.5179-114.1000113.5E1197 V1201 R1223E1197-Y1227 HydrophobicContact CB-CE1 4.44Å; E1197-Y1227 PolarHBondContact OE1-OH 2.83Å; E1197-Y1227 PolarHBondContact OE2-OH 3.43Å; V1201-Y1227 HydrophobicContact CG2-CD1 3.82Å; V1201-Y1227 HydrophobicContact CG2-CE1 3.99Å; R1223-Y1227 WeakPolarHBondContact O-CB 3.28Å; R1223-Y1227 PolarHBondContact O-N 2.85Å
1228L85.7Confident82.4Confident36 Ų3672.6 Ų72.619%0.18836%0.361CS..Hα-helixtrans-97.93.1-179.9-59.6177.3000113.5L1183 L1186 I1198 V1201 A1224 I1230L1183-L1228 HydrophobicContact CD2-CD1 3.45Å; L1183-L1228 VanDerWaalsContact CD2-CD1 3.45Å; L1186-L1228 HydrophobicContact CD1-CB 4.14Å; L1186-L1228 HydrophobicContact CD1-CD1 4.03Å; I1198-L1228 HydrophobicContact CG1-CD1 4.25Å; I1198-L1228 HydrophobicContact CG1-CD2 3.8Å; I1198-L1228 HydrophobicContact CG2-CD1 4.42Å; V1201-L1228 HydrophobicContact CB-CD1 4.27Å; V1201-L1228 HydrophobicContact CG1-CD1 3.95Å; V1201-L1228 HydrophobicContact CG2-CD1 4.3Å; A1224-L1228 WeakPolarHBondContact O-CB 3.45Å; A1224-L1228 PolarHBondContact O-N 2.89Å; L1228-I1230 HydrophobicContact CB-CD1 4.23Å; L1228-I1230 HydrophobicContact CB-CG1 4.17Å; L1228-I1230 HydrophobicContact CB-CG2 4.41Å; L1228-I1230 HydrophobicContact CD1-CD1 4.29Å; L1228-I1230 PolarHBondContact O-N 3.23Å
1229A81.5Confident82.3Confident93 Ų9373.9 Ų73.977%0.76937%0.367SS*.THydrogen-bonded Turntrans50.239.2-174.700000114S1225S1225-A1229 VanDerWaalsContact O-CA 3.27Å; S1225-A1229 WeakPolarHBondContact O-CA 3.28Å; S1225-A1229 PolarHBondContact O-N 3.33Å
1230I79.1Confident82Confident25 Ų2572.8 Ų72.813%0.12836%0.363CS..PPolyproline II helixtrans-102.5128.4177.853.7-176.5000111.2F1179 L1183 L1186 S1225 L1228 I1232F1179-I1230 HydrophobicContact CE2-CD1 3.63Å; F1179-I1230 HydrophobicContact CE2-CG1 4.01Å; F1179-I1230 HydrophobicContact CZ-CD1 3.82Å; F1179-I1230 HydrophobicContact CZ-CG1 4.4Å; L1183-I1230 HydrophobicContact CD2-CD1 3.63Å; L1183-I1230 HydrophobicContact CG-CD1 4.46Å; L1186-I1230 HydrophobicContact CD1-CD1 4.28Å; L1186-I1230 HydrophobicContact CD1-CG2 3.55Å; L1186-I1230 HydrophobicContact CG-CG2 4.36Å; S1225-I1230 WeakPolarHBondContact CB-O 3.19Å; S1225-I1230 PolarHBondContact O-N 2.83Å; S1225-I1230 VanDerWaalsContact O-N 3.08Å; S1225-I1230 PolarHBondContact OG-O 2.9Å; L1228-I1230 HydrophobicContact CB-CD1 4.23Å; L1228-I1230 HydrophobicContact CB-CG1 4.17Å; L1228-I1230 HydrophobicContact CB-CG2 4.41Å; L1228-I1230 HydrophobicContact CD1-CD1 4.29Å; L1228-I1230 PolarHBondContact O-N 3.23Å; I1230-I1232 PolarHBondContact O-N 3.47Å
1231E73.3Confident81.4Confident158 Ų15877.5 Ų77.574%0.73839%0.385SS*.PPolyproline II helixtrans-58.8129170.2-69.3176.1154.900110K1182K1182-E1231 PolarHBondContact NZ-O 2.88Å
1232I69.6Low80.6Confident67 Ų6782.4 Ų82.434%0.34441%0.412SS..PPolyproline II helixtrans-58.6128.4167.3-56.2179000107.3R1221 I1230R1221-I1232 HydrophobicContact CG-CD1 4.41Å; R1221-I1232 HydrophobicContact CG-CG1 4.44Å; R1221-I1232 HydrophobicContact CG-CG2 4.19Å; R1221-I1232 VanDerWaalsContact NH1-CG2 3.28Å; I1230-I1232 PolarHBondContact O-N 3.47Å
1233P53.3Low79.9Confident74 Ų7476.5 Ų76.548%0.48140%0.399SS..  trans-67.10179.429.1-35.2000113.2I1175 T1178 F1179 K1182I1175-P1233 WeakPolarHBondContact CD1-O 3.36Å; I1175-P1233 HydrophobicContact CG1-CG 4.13Å; I1175-P1233 VanDerWaalsContact CG1-O 3.25Å; I1175-P1233 WeakPolarHBondContact CG1-O 3.22Å; I1175-P1233 WeakPolarHBondContact O-CG 3.36Å; T1178-P1233 HydrophobicContact CG2-CB 3.52Å; T1178-P1233 HydrophobicContact CG2-CG 3.91Å; F1179-P1233 HydrophobicContact CB-CG 4.04Å; F1179-P1233 HydrophobicContact CD2-CG 4.48Å; K1182-P1233 HydrophobicContact CD-CB 4.49Å

Retrieved 1,233 of 1,233 residues in 2530.3 ms (Link to these results)

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