A0A077ZLZ7_TRITR Loading...

tRNA dihydrouridine(20) synthase (NAD(P)+)

AlphaFold DB , UniProt , Accession A0A077ZLZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M58.8Low85.4Confident182 Ų182119.9 Ų119.990%0.89761%0.609SS**  0126.40-163.8-178.5-10000108.3K3M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 HydrophobicContact CB-CG 4.38Å; M1-K3 HydrophobicContact CG-CG 4.33Å; M1-K3 PolarHBondContact O-N 2.74Å; M1-K3 WeakPolarHBondContact SD-CE 3.49Å
2L70.9Confident86.5Confident73 Ų73118.7 Ų118.738%0.38260%0.596SS.*  trans-68.679.2-174.5-65.9167.7000112I9 C32 V34L2-I9 HydrophobicContact CB-CD1 4.25Å; L2-I9 HydrophobicContact CD1-CB 3.8Å; L2-I9 HydrophobicContact CD1-CD1 3.9Å; L2-I9 HydrophobicContact CD1-CG1 4.39Å; L2-I9 HydrophobicContact CD1-CG2 3.89Å; L2-I9 HydrophobicContact CD2-CD1 3.65Å; L2-I9 HydrophobicContact CG-CD1 4.13Å; L2-C32 WeakPolarHBondContact CG-O 3.33Å; L2-C32 PolarHBondContact N-O 3.11Å; L2-V34 HydrophobicContact CD1-CG1 4.31Å
3K69.1Low87.4Confident177 Ų177110.9 Ų110.977%0.7756%0.557SS**  trans-100.6-9.9-175.2-69.3-173.1177.8-175.80114.6M1M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 HydrophobicContact CB-CG 4.38Å; M1-K3 HydrophobicContact CG-CG 4.33Å; M1-K3 PolarHBondContact O-N 2.74Å; M1-K3 WeakPolarHBondContact SD-CE 3.49Å
4S83.9Confident88.2Confident114 Ų114108.2 Ų108.280%0.79754%0.537SS*.SBendtrans-93.9-13.2-172.355.10000114.9
5V87.8Confident88.8Confident79 Ų79101.5 Ų101.548%0.47950%0.504SS..  trans-118.7127-172.3-1770000110.1K7 I9V5-K7 VanDerWaalsContact C-N 3.34Å; V5-K7 HydrophobicContact CG1-CB 4.25Å; V5-I9 HydrophobicContact CB-CD1 3.99Å; V5-I9 HydrophobicContact CG1-CD1 4.34Å; V5-I9 HydrophobicContact CG2-CD1 4.18Å
6R91Very high89.4Confident254 Ų25499.3 Ų99.396%0.95849%0.494SS*.SBendtrans-76.7-17.6179.9-64.2-176.3-176.2176.81114
7K93.6Very high89.8Confident163 Ų16399.5 Ų99.571%0.70950%0.504SS*.SBendtrans-90.7145.8-179.5-64-65.3-175.1178.10110.3V5 I9V5-K7 VanDerWaalsContact C-N 3.34Å; V5-K7 HydrophobicContact CG1-CB 4.25Å; K7-I9 PolarHBondContact O-N 3.5Å
8P94.3Very high90.2Very high94 Ų94101.7 Ų101.761%0.6151%0.51SS*.PPolyproline II helixtrans-62132.2177.726.4-34.3000110.2S35P8-S35 VanDerWaalsContact CB-OG 3.25Å; P8-S35 WeakPolarHBondContact CB-OG 3.15Å
9I95.7Very high90.6Very high56 Ų5699.7 Ų99.729%0.28750%0.5SS..PPolyproline II helixtrans-101.5130.1177.5-65.8173.3000107.7L2 V5 K7 V34 S35L2-I9 HydrophobicContact CB-CD1 4.25Å; L2-I9 HydrophobicContact CD1-CB 3.8Å; L2-I9 HydrophobicContact CD1-CD1 3.9Å; L2-I9 HydrophobicContact CD1-CG1 4.39Å; L2-I9 HydrophobicContact CD1-CG2 3.89Å; L2-I9 HydrophobicContact CD2-CD1 3.65Å; L2-I9 HydrophobicContact CG-CD1 4.13Å; V5-I9 HydrophobicContact CB-CD1 3.99Å; V5-I9 HydrophobicContact CG1-CD1 4.34Å; V5-I9 HydrophobicContact CG2-CD1 4.18Å; K7-I9 PolarHBondContact O-N 3.5Å; I9-V34 CarbonylContact O-C 3.57Å; I9-V34 WeakPolarHBondContact O-CA 3.42Å; I9-V34 WeakPolarHBondContact O-CB 3.45Å; I9-S35 PolarHBondContact O-N 3.31Å
10T97.1Very high90.9Very high86 Ų86100.6 Ų100.653%0.52850%0.503SS..EExtended strand (participates in β ladder)trans-121.7162.517761.50000109.6A36T10-A36 WeakPolarHBondContact CA-O 3.49Å; T10-A36 WeakPolarHBondContact CB-O 3.3Å; T10-A36 HydrophobicContact CG2-CB 3.89Å
11C97.1Very high91.3Very high41 Ų4198.4 Ų98.428%0.27749%0.493SS..EExtended strand (participates in β ladder)trans-126.8139176.2-1700000110.4I29 A36 I37 A38C11-I29 HydrophobicContact CB-CG2 3.78Å; C11-A36 PolarHBondContact N-O 2.88Å; C11-I37 CarbonylContact O-C 3.59Å; C11-I37 WeakPolarHBondContact O-CA 3.24Å; C11-A38 PolarHBondContact O-N 3.23Å
12K98.4Very high93.1Very high105 Ų10589.8 Ų89.846%0.45745%0.45SS..EExtended strand (participates in β ladder)trans-111.8122.9172.3-174.2-177.6-169.9-59.90110.1A38 N71 M96K12-A38 CarbonylContact C-O 3.52Å; K12-A38 VanDerWaalsContact CA-O 3.29Å; K12-A38 WeakPolarHBondContact CA-O 3.23Å; K12-A38 HydrophobicContact CB-CB 4.1Å; K12-A38 HydrophobicContact CG-CB 3.96Å; K12-N71 WeakPolarHBondContact CE-OD1 3.37Å; K12-N71 PolarHBondContact NZ-OD1 2.84Å; K12-M96 HydrophobicContact CD-SD 4.04Å
13I98.3Very high94.4Very high18 Ų1887.6 Ų87.69%0.09244%0.439CS..EExtended strand (participates in β ladder)trans-122.5168.1-178.867.7168.9000112.4T22 L25 C26 I29 I37 A38 I39 H40I13-T22 HydrophobicContact CD1-CG2 4.43Å; I13-L25 HydrophobicContact CD1-CD2 4.49Å; I13-C26 WeakPolarHBondContact CD1-SG 3.43Å; I13-I29 HydrophobicContact CG2-CD1 3.76Å; I13-I37 HydrophobicContact CD1-CG2 4.32Å; I13-I37 HydrophobicContact CG1-CG2 4.23Å; I13-A38 PolarHBondContact N-O 2.96Å; I13-I39 HydrophobicContact CD1-CG1 4.3Å; I13-I39 HydrophobicContact CG1-CG1 4.09Å; I13-H40 PolarHBondContact O-N 3.06Å
14R98.4Very high95.8Very high73 Ų7384.3 Ų84.328%0.27543%0.426SS..EExtended strand (participates in β ladder)trans-111.7161.1164.2-84.5-173.3123.3-165.3-15.4108.5H40 R42 T43 T44 E46R14-H40 HydrophobicContact CG-CB 3.99Å; R14-R42 WeakPolarHBondContact CB-O 3.44Å; R14-R42 WeakPolarHBondContact CG-O 3.45Å; R14-T43 PolarHBondContact NE-O 3.21Å; R14-T43 PolarHBondContact NH1-O 3.29Å; R14-T43 VanDerWaalsContact NH1-O 3.14Å; R14-T43 PolarHBondContact NH2-O 3.4Å; R14-T44 PolarHBondContact NH1-O 3.48Å; R14-E46 PolarHBondContact NH2-O 3.32Å
15L98.3Very high96.5Very high8 Ų881.6 Ų81.64%0.04240%0.402CS..EExtended strand (participates in β ladder)trans-66146.9176.3-58.7179.1000110.7T22 I39 R42 T43 H53 I60L15-T22 HydrophobicContact CD2-CG2 3.87Å; L15-I39 HydrophobicContact CD2-CG2 3.73Å; L15-R42 PolarHBondContact N-O 2.84Å; L15-R42 VanDerWaalsContact N-O 3.09Å; L15-T43 HydrophobicContact CB-CG2 4.22Å; L15-T43 VanDerWaalsContact O-CA 3.28Å; L15-T43 WeakPolarHBondContact O-CA 3.37Å; L15-H53 HydrophobicContact CD1-CB 3.64Å; L15-I60 HydrophobicContact CD2-CD1 3.97Å
16L98.1Very high96.9Very high65 Ų6577.9 Ų77.934%0.3438%0.38SS..  trans-85.5163.8164-61.3-178.4000109.6K18 D21 T22 L25L16-K18 PolarHBondContact O-N 2.86Å; L16-D21 HydrophobicContact CB-CB 4.14Å; L16-D21 HydrophobicContact CD1-CB 3.75Å; L16-T22 WeakPolarHBondContact CB-OG1 2.96Å; L16-T22 PolarHBondContact N-OG1 3.4Å; L16-L25 HydrophobicContact CD1-CB 4.39Å; L16-L25 HydrophobicContact CD1-CD2 4.22Å; L16-L25 HydrophobicContact CG-CD2 4.47Å
17P96.4Very high97.2Very high103 Ų10368.8 Ų68.867%0.66935%0.35SS*.SBendtrans-55.9-34.9-178.3-27.936.4000113.9
18K97.2Very high97.4Very high140 Ų14065.4 Ų65.461%0.60934%0.339SS*.SBendtrans-105.3139.5173.4-59.7178.6-179.3176.90110.3L16 H20 D21 T22L16-K18 PolarHBondContact O-N 2.86Å; K18-H20 VanDerWaalsContact C-N 3.28Å; K18-H20 PolarHBondContact O-N 3.42Å; K18-D21 HydrophobicContact CB-CB 4.45Å; K18-D21 PolarHBondContact O-N 3.42Å; K18-T22 PolarHBondContact O-N 3.25Å; K18-T22 PolarHBondContact O-OG1 2.81Å; K18-T22 VanDerWaalsContact O-OG1 3.07Å
19L97Very high97.5Very high63 Ų6362 Ų6233%0.3332%0.316SS..Hα-helixtrans-62.3-38.1176.3-178.559.4000111.6T22 L23 T59 I60L19-T22 WeakPolarHBondContact O-CB 3.2Å; L19-T22 PolarHBondContact O-N 3.18Å; L19-L23 HydrophobicContact CG-CD1 4.31Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.92Å; L19-T59 HydrophobicContact CD2-CG2 4.05Å; L19-I60 HydrophobicContact CD1-CD1 4.03Å; L19-I60 HydrophobicContact CD1-CG1 4.02Å
20H97.4Very high97.5Very high118 Ų11861.1 Ų61.155%0.54631%0.31SS..Hα-helixtrans-57.6-52.5177.4-178.266.4000111.9K18 T22 L23 E24K18-H20 VanDerWaalsContact C-N 3.28Å; K18-H20 PolarHBondContact O-N 3.42Å; H20-T22 PolarHBondContact O-N 3.07Å; H20-L23 WeakPolarHBondContact O-CA 3.44Å; H20-L23 WeakPolarHBondContact O-CB 3.01Å; H20-L23 PolarHBondContact O-N 2.79Å; H20-E24 IonicContact CE1-OE1 3.42Å; H20-E24 IonicContact NE2-OE1 3.35Å; H20-E24 PolarHBondContact NE2-OE1 3.48Å; H20-E24 PolarHBondContact O-N 3.35Å
21D98Very high97.5Very high55 Ų5565.7 Ų65.729%0.29432%0.318SS..Hα-helixtrans-58.5-37177.2-48-3.8000111.2L16 K18 E24 L25L16-D21 HydrophobicContact CB-CB 4.14Å; L16-D21 HydrophobicContact CD1-CB 3.75Å; K18-D21 HydrophobicContact CB-CB 4.45Å; K18-D21 PolarHBondContact O-N 3.42Å; D21-E24 PolarHBondContact O-N 2.68Å; D21-L25 WeakPolarHBondContact O-CB 3.08Å; D21-L25 PolarHBondContact O-N 3.31Å
22T98.1Very high97.3Very high0 Ų066.7 Ų66.70%033%0.325CS..Hα-helixtrans-64.7-40.7176-51.60000111.5I13 L15 L16 K18 L19 H20 L25 C26 I60I13-T22 HydrophobicContact CD1-CG2 4.43Å; L15-T22 HydrophobicContact CD2-CG2 3.87Å; L16-T22 WeakPolarHBondContact CB-OG1 2.96Å; L16-T22 PolarHBondContact N-OG1 3.4Å; K18-T22 PolarHBondContact O-N 3.25Å; K18-T22 PolarHBondContact O-OG1 2.81Å; K18-T22 VanDerWaalsContact O-OG1 3.07Å; L19-T22 WeakPolarHBondContact O-CB 3.2Å; L19-T22 PolarHBondContact O-N 3.18Å; H20-T22 PolarHBondContact O-N 3.07Å; T22-L25 PolarHBondContact O-N 3.25Å; T22-C26 PolarHBondContact O-N 3.4Å; T22-C26 PolarHBondContact O-SG 2.92Å; T22-I60 HydrophobicContact CG2-CD1 3.59Å
23L97.7Very high97.1Very high27 Ų2763.8 Ų63.814%0.14132%0.324CS..Hα-helixtrans-65.8-43.7176.2-73.4167.3000111.5L19 H20 L25 C26 N27 I60 L63L19-L23 HydrophobicContact CG-CD1 4.31Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.92Å; H20-L23 WeakPolarHBondContact O-CA 3.44Å; H20-L23 WeakPolarHBondContact O-CB 3.01Å; H20-L23 PolarHBondContact O-N 2.79Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.96Å; L23-C26 PolarHBondContact O-N 2.91Å; L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 3.2Å; L23-N27 PolarHBondContact O-ND2 2.93Å; L23-I60 HydrophobicContact CD2-CB 4.14Å; L23-I60 HydrophobicContact CD2-CG1 3.64Å; L23-I60 HydrophobicContact CD2-CG2 4.24Å; L23-I60 HydrophobicContact CG-CG1 4.24Å; L23-L63 HydrophobicContact CD1-CD1 3.91Å; L23-L63 HydrophobicContact CD2-CB 4.42Å; L23-L63 HydrophobicContact CD2-CD1 3.67Å; L23-L63 HydrophobicContact CG-CD1 4.47Å
24E97.9Very high97Very high108 Ų10863.6 Ų63.651%0.50532%0.324SS..Hα-helixtrans-58.6-44.4175.1-68.7-169.2149.500111.8H20 D21 N27 L28H20-E24 IonicContact CE1-OE1 3.42Å; H20-E24 IonicContact NE2-OE1 3.35Å; H20-E24 PolarHBondContact NE2-OE1 3.48Å; H20-E24 PolarHBondContact O-N 3.35Å; D21-E24 PolarHBondContact O-N 2.68Å; E24-N27 PolarHBondContact O-N 2.92Å; E24-L28 WeakPolarHBondContact O-CB 3.37Å; E24-L28 PolarHBondContact O-N 3.47Å
25L98.1Very high96.9Very high58 Ų5862.9 Ų62.930%0.30433%0.331SS..Hα-helixtrans-60.9-45.4174.717761.7000111.5I13 L16 D21 T22 L23 L28 I29I13-L25 HydrophobicContact CD1-CD2 4.49Å; L16-L25 HydrophobicContact CD1-CB 4.39Å; L16-L25 HydrophobicContact CD1-CD2 4.22Å; L16-L25 HydrophobicContact CG-CD2 4.47Å; D21-L25 WeakPolarHBondContact O-CB 3.08Å; D21-L25 PolarHBondContact O-N 3.31Å; T22-L25 PolarHBondContact O-N 3.25Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.96Å; L25-L28 PolarHBondContact O-N 3.16Å; L25-I29 HydrophobicContact CD1-CD1 3.97Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 VanDerWaalsContact O-CG1 3.27Å; L25-I29 WeakPolarHBondContact O-CG1 3.28Å; L25-I29 PolarHBondContact O-N 3.12Å
26C98Very high96.9Very high0 Ų063 Ų630%033%0.333CS..Hα-helixtrans-62.9-43.3178.3-68.40000112.2I13 T22 L23 L28 I29 E30 I37 I60 L64I13-C26 WeakPolarHBondContact CD1-SG 3.43Å; T22-C26 PolarHBondContact O-N 3.4Å; T22-C26 PolarHBondContact O-SG 2.92Å; L23-C26 PolarHBondContact O-N 2.91Å; C26-L28 VanDerWaalsContact C-N 3.32Å; C26-L28 PolarHBondContact O-N 3.33Å; C26-I29 PolarHBondContact O-N 2.96Å; C26-E30 WeakPolarHBondContact O-CB 3.4Å; C26-E30 PolarHBondContact O-N 2.73Å; C26-I37 HydrophobicContact CB-CD1 4.42Å; C26-I60 HydrophobicContact CB-CG2 4.34Å; C26-L64 HydrophobicContact CB-CD1 3.77Å; C26-L64 HydrophobicContact CB-CD2 3.84Å; C26-L64 HydrophobicContact CB-CG 4.33Å
27N97.3Very high96.9Very high63 Ų6360 Ų6034%0.33732%0.317SS..Hα-helixtrans-63.6-36.6175.9-74.7-36.1000112L23 E24 R31L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 3.2Å; L23-N27 PolarHBondContact O-ND2 2.93Å; E24-N27 PolarHBondContact O-N 2.92Å; N27-R31 WeakPolarHBondContact O-CB 3.49Å; N27-R31 VanDerWaalsContact O-CG 3.28Å; N27-R31 WeakPolarHBondContact O-CG 3.27Å; N27-R31 PolarHBondContact O-N 3.33Å; N27-R31 VanDerWaalsContact O-N 3.08Å; N27-R31 PolarHBondContact O-NE 3.46Å
28L97.2Very high97Very high92 Ų9255.2 Ų55.248%0.48229%0.286SS..Hα-helixtrans-64.4-46.6172.6-177.866.6000111.5E24 L25 C26 R31 C32E24-L28 WeakPolarHBondContact O-CB 3.37Å; E24-L28 PolarHBondContact O-N 3.47Å; L25-L28 PolarHBondContact O-N 3.16Å; C26-L28 VanDerWaalsContact C-N 3.32Å; C26-L28 PolarHBondContact O-N 3.33Å; L28-R31 PolarHBondContact O-N 2.96Å; L28-C32 PolarHBondContact O-N 3.38Å; L28-C32 PolarHBondContact O-SG 3.49Å; L28-C32 VanDerWaalsContact O-SG 3.39Å
29I96.5Very high97.1Very high22 Ų2248.6 Ų48.611%0.11326%0.257CS..Hα-helixtrans-62.6-42.8178.2-68.2165.8000110.9C11 I13 L25 C26 C32 V34 I37C11-I29 HydrophobicContact CB-CG2 3.78Å; I13-I29 HydrophobicContact CG2-CD1 3.76Å; L25-I29 HydrophobicContact CD1-CD1 3.97Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 VanDerWaalsContact O-CG1 3.27Å; L25-I29 WeakPolarHBondContact O-CG1 3.28Å; L25-I29 PolarHBondContact O-N 3.12Å; C26-I29 PolarHBondContact O-N 2.96Å; I29-C32 VanDerWaalsContact O-CB 3.32Å; I29-C32 WeakPolarHBondContact O-CB 3.31Å; I29-C32 PolarHBondContact O-N 3.2Å; I29-C32 VanDerWaalsContact O-N 3.16Å; I29-V34 HydrophobicContact CG2-CB 4.35Å; I29-V34 HydrophobicContact CG2-CG1 3.75Å; I29-V34 HydrophobicContact CG2-CG2 3.69Å; I29-I37 HydrophobicContact CB-CD1 3.97Å; I29-I37 HydrophobicContact CG2-CD1 3.61Å; I29-I37 HydrophobicContact CG2-CG1 3.95Å
30E96.2Very high97.1Very high38 Ų3846.9 Ų46.918%0.17825%0.248CC..Hα-helixtrans-59.1-46.6176.1-177.5174.6-122.700111.5C26 C32 G33 S65 V66C26-E30 WeakPolarHBondContact O-CB 3.4Å; C26-E30 PolarHBondContact O-N 2.73Å; E30-C32 PolarHBondContact O-N 3.18Å; E30-C32 VanDerWaalsContact O-N 3.15Å; E30-G33 WeakPolarHBondContact O-CA 3.19Å; E30-G33 PolarHBondContact O-N 3.18Å; E30-S65 WeakPolarHBondContact OE1-CA 3.32Å; E30-S65 WeakPolarHBondContact OE1-CB 3.39Å; E30-S65 PolarHBondContact OE1-N 3.25Å; E30-S65 PolarHBondContact OE1-OG 3.47Å; E30-V66 HydrophobicContact CB-CG2 4.38Å; E30-V66 HydrophobicContact CG-CG1 3.92Å; E30-V66 HydrophobicContact CG-CG2 4.1Å; E30-V66 PolarHBondContact OE1-N 3.14Å
31R95.5Very high97.2Very high183 Ų18341.2 Ų41.269%0.69122%0.222SC*.Hα-helixtrans-60.6-23176.2-75.4-177.1-65.6174.1-0.4114.1N27 L28 G33N27-R31 WeakPolarHBondContact O-CB 3.49Å; N27-R31 VanDerWaalsContact O-CG 3.28Å; N27-R31 WeakPolarHBondContact O-CG 3.27Å; N27-R31 PolarHBondContact O-N 3.33Å; N27-R31 VanDerWaalsContact O-N 3.08Å; N27-R31 PolarHBondContact O-NE 3.46Å; L28-R31 PolarHBondContact O-N 2.96Å; R31-G33 PolarHBondContact O-N 2.89Å
32C94.2Very high97.1Very high61 Ų6138.9 Ų38.941%0.41221%0.209SC..THydrogen-bonded Turntrans-68.7-20.3172.9-67.70000112.7L2 L28 I29 E30L2-C32 WeakPolarHBondContact CG-O 3.33Å; L2-C32 PolarHBondContact N-O 3.11Å; L28-C32 PolarHBondContact O-N 3.38Å; L28-C32 PolarHBondContact O-SG 3.49Å; L28-C32 VanDerWaalsContact O-SG 3.39Å; I29-C32 VanDerWaalsContact O-CB 3.32Å; I29-C32 WeakPolarHBondContact O-CB 3.31Å; I29-C32 PolarHBondContact O-N 3.2Å; I29-C32 VanDerWaalsContact O-N 3.16Å; E30-C32 PolarHBondContact O-N 3.18Å; E30-C32 VanDerWaalsContact O-N 3.15Å
33G93.7Very high97.1Very high44 Ų4440 Ų4045%0.45422%0.215SC..THydrogen-bonded Turntrans95.432.3178.900000113.9E30 R31E30-G33 WeakPolarHBondContact O-CA 3.19Å; E30-G33 PolarHBondContact O-N 3.18Å; R31-G33 PolarHBondContact O-N 2.89Å
34V96.1Very high97Very high14 Ų1443.3 Ų43.39%0.08524%0.237CC..  trans-67.4151.5175.1-61.40000111.3L2 I9 I29 I37 V66L2-V34 HydrophobicContact CD1-CG1 4.31Å; I9-V34 CarbonylContact O-C 3.57Å; I9-V34 WeakPolarHBondContact O-CA 3.42Å; I9-V34 WeakPolarHBondContact O-CB 3.45Å; I29-V34 HydrophobicContact CG2-CB 4.35Å; I29-V34 HydrophobicContact CG2-CG1 3.75Å; I29-V34 HydrophobicContact CG2-CG2 3.69Å; V34-I37 HydrophobicContact CG2-CD1 4.19Å; V34-I37 HydrophobicContact CG2-CG1 3.79Å; V34-V66 WeakPolarHBondContact O-CG1 3.2Å
35S96.4Very high96.9Very high59 Ų5948.3 Ų48.341%0.41325%0.251SS..SBendtrans-84.4-20.7179.1-50.40000113.7P8 I9 P67P8-S35 VanDerWaalsContact CB-OG 3.25Å; P8-S35 WeakPolarHBondContact CB-OG 3.15Å; I9-S35 PolarHBondContact O-N 3.31Å; S35-P67 WeakPolarHBondContact O-CD 3.29Å
36A98.1Very high96.8Very high11 Ų1147.5 Ų47.59%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-166.9158.4176.300000111.1T10 C11 P67 I69T10-A36 WeakPolarHBondContact CA-O 3.49Å; T10-A36 WeakPolarHBondContact CB-O 3.3Å; T10-A36 HydrophobicContact CG2-CB 3.89Å; C11-A36 PolarHBondContact N-O 2.88Å; A36-P67 WeakPolarHBondContact CA-O 3.32Å; A36-P67 HydrophobicContact CB-CB 4.26Å; A36-P67 WeakPolarHBondContact CB-O 3.43Å; A36-I69 HydrophobicContact CB-CD1 4.09Å; A36-I69 HydrophobicContact CB-CG1 4.41Å
37I98.4Very high96.5Very high0 Ų056.7 Ų56.70%028%0.281CS..EExtended strand (participates in β ladder)trans-123.6121.9174.9-56.8-179.9000109.8C11 I13 C26 I29 V34 I39 L64 V66 P67 V68 I69C11-I37 CarbonylContact O-C 3.59Å; C11-I37 WeakPolarHBondContact O-CA 3.24Å; I13-I37 HydrophobicContact CD1-CG2 4.32Å; I13-I37 HydrophobicContact CG1-CG2 4.23Å; C26-I37 HydrophobicContact CB-CD1 4.42Å; I29-I37 HydrophobicContact CB-CD1 3.97Å; I29-I37 HydrophobicContact CG2-CD1 3.61Å; I29-I37 HydrophobicContact CG2-CG1 3.95Å; V34-I37 HydrophobicContact CG2-CD1 4.19Å; V34-I37 HydrophobicContact CG2-CG1 3.79Å; I37-I39 HydrophobicContact CG2-CG1 3.96Å; I37-L64 HydrophobicContact CD1-CD1 4.13Å; I37-V66 HydrophobicContact CD1-CG2 4.03Å; I37-V66 HydrophobicContact CG1-CG2 4.05Å; I37-P67 PolarHBondContact N-O 2.88Å; I37-V68 CarbonylContact O-C 3.54Å; I37-V68 WeakPolarHBondContact O-CA 3.33Å; I37-I69 PolarHBondContact O-N 2.92Å
38A98.7Very high96.1Very high4 Ų456.7 Ų56.73%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-91.6123.8171.700000110.8C11 K12 I13 I69 M96C11-A38 PolarHBondContact O-N 3.23Å; K12-A38 CarbonylContact C-O 3.52Å; K12-A38 VanDerWaalsContact CA-O 3.29Å; K12-A38 WeakPolarHBondContact CA-O 3.23Å; K12-A38 HydrophobicContact CB-CB 4.1Å; K12-A38 HydrophobicContact CG-CB 3.96Å; I13-A38 PolarHBondContact N-O 2.96Å; A38-I69 CarbonylContact C-O 3.56Å; A38-I69 VanDerWaalsContact CA-O 3.28Å; A38-I69 WeakPolarHBondContact CA-O 3.31Å; A38-I69 HydrophobicContact CB-CB 3.98Å; A38-M96 HydrophobicContact CB-CE 3.69Å; A38-M96 HydrophobicContact CB-SD 4.4Å
39I98.5Very high95.8Very high0 Ų058 Ų580%030%0.298CS..EExtended strand (participates in β ladder)trans-114.5114.4-176.1-54.6179.5000109I13 L15 I37 I57 I60 V68 I69 N71I13-I39 HydrophobicContact CD1-CG1 4.3Å; I13-I39 HydrophobicContact CG1-CG1 4.09Å; L15-I39 HydrophobicContact CD2-CG2 3.73Å; I37-I39 HydrophobicContact CG2-CG1 3.96Å; I39-I57 HydrophobicContact CB-CG1 4.49Å; I39-I57 HydrophobicContact CG2-CG1 4.05Å; I39-I60 HydrophobicContact CD1-CB 3.96Å; I39-I60 HydrophobicContact CD1-CD1 4.01Å; I39-I60 HydrophobicContact CD1-CG2 3.42Å; I39-I60 VanDerWaalsContact CD1-CG2 3.42Å; I39-V68 HydrophobicContact CD1-CG1 3.79Å; I39-V68 HydrophobicContact CD1-CG2 4.43Å; I39-V68 HydrophobicContact CG1-CG1 4.11Å; I39-I69 PolarHBondContact N-O 2.6Å; I39-N71 PolarHBondContact O-N 3.47Å
40H98.3Very high95.6Very high27 Ų2759 Ų5913%0.12531%0.306CS..EExtended strand (participates in β ladder)trans-82.4114.2165.1-175.4178.8000108.3I13 R14 R42 N71I13-H40 PolarHBondContact O-N 3.06Å; R14-H40 HydrophobicContact CG-CB 3.99Å; H40-R42 PolarHBondContact NE2-NH1 3.19Å; H40-R42 PolarHBondContact O-N 3.4Å; H40-N71 WeakPolarHBondContact CA-O 3.44Å; H40-N71 HydrophobicContact CB-CB 4.31Å; H40-N71 WeakPolarHBondContact CB-OD1 3.3Å
41G97.8Very high95.5Very high0 Ų065.5 Ų65.50%033%0.334CS..EExtended strand (participates in β ladder)trans-68.742.2-178.500000115N52 H53 N71G41-N52 VanDerWaalsContact C-OD1 3.23Å; G41-N52 WeakPolarHBondContact CA-OD1 3.44Å; G41-N52 PolarHBondContact N-OD1 3.45Å; G41-N52 CarbonylContact O-C 3.56Å; G41-N52 WeakPolarHBondContact O-CA 3.45Å; G41-N52 PolarHBondContact O-OD1 3.43Å; G41-H53 PolarHBondContact O-CD2 3.16Å; G41-H53 PolarHBondContact O-N 2.93Å; G41-N71 PolarHBondContact N-O 3.09Å
42R97.6Very high95.6Very high6 Ų657.3 Ų57.32%0.02330%0.304CS..EExtended strand (participates in β ladder)trans-140.5146.6172.5-69.1-171.8-172.193.520108.8R14 L15 H40 E46 R47 C50 G72R14-R42 WeakPolarHBondContact CB-O 3.44Å; R14-R42 WeakPolarHBondContact CG-O 3.45Å; L15-R42 PolarHBondContact N-O 2.84Å; L15-R42 VanDerWaalsContact N-O 3.09Å; H40-R42 PolarHBondContact NE2-NH1 3.19Å; H40-R42 PolarHBondContact O-N 3.4Å; R42-E46 VanDerWaalsContact CA-OE2 3.25Å; R42-E46 WeakPolarHBondContact CA-OE2 3.34Å; R42-E46 HydrophobicContact CB-CB 4.05Å; R42-E46 HydrophobicContact CG-CB 4.41Å; R42-R47 VanDerWaalsContact CD-O 3.3Å; R42-R47 WeakPolarHBondContact CD-O 3.44Å; R42-R47 PolarHBondContact NE-O 3.27Å; R42-C50 PolarHBondContact NE-O 2.97Å; R42-C50 PolarHBondContact NH2-O 3.24Å; R42-G72 PolarHBondContact NH1-O 3.18Å; R42-G72 PolarHBondContact NH2-O 2.92Å
43T97.6Very high95.7Very high22 Ų2258 Ų5814%0.13530%0.301CS..EExtended strand (participates in β ladder)trans-71.6169.1168.669.10000111.4R14 L15 W45 E46R14-T43 PolarHBondContact NE-O 3.21Å; R14-T43 PolarHBondContact NH1-O 3.29Å; R14-T43 VanDerWaalsContact NH1-O 3.14Å; R14-T43 PolarHBondContact NH2-O 3.4Å; L15-T43 HydrophobicContact CB-CG2 4.22Å; L15-T43 VanDerWaalsContact O-CA 3.28Å; L15-T43 WeakPolarHBondContact O-CA 3.37Å; T43-W45 PolarHBondContact O-N 3.11Å; T43-E46 PolarHBondContact N-OE2 2.86Å; T43-E46 PolarHBondContact O-N 3.42Å; T43-E46 WeakPolarHBondContact OG1-CG 3.48Å; T43-E46 PolarHBondContact OG1-N 3.08Å; T43-E46 PolarHBondContact OG1-OE2 3.2Å
44T95Very high95.9Very high97 Ų9757.1 Ų57.160%0.59529%0.286SS*.SBendtrans-61.7-32.7176.448.70000112.9R14R14-T44 PolarHBondContact NH1-O 3.48Å
45W95.2Very high95.9Very high213 Ų21360 Ų6081%0.80731%0.311SS*.SBendtrans-77-24.3-179.9-51.6111000113.6T43T43-W45 PolarHBondContact O-N 3.11Å
46E96Very high96Very high41 Ų4158.5 Ų58.519%0.19230%0.3CS..  trans-78.2134.8-179-75.4174.6129.700112.5R14 R42 T43 C50 H53R14-E46 PolarHBondContact NH2-O 3.32Å; R42-E46 VanDerWaalsContact CA-OE2 3.25Å; R42-E46 WeakPolarHBondContact CA-OE2 3.34Å; R42-E46 HydrophobicContact CB-CB 4.05Å; R42-E46 HydrophobicContact CG-CB 4.41Å; T43-E46 PolarHBondContact N-OE2 2.86Å; T43-E46 PolarHBondContact O-N 3.42Å; T43-E46 WeakPolarHBondContact OG1-CG 3.48Å; T43-E46 PolarHBondContact OG1-N 3.08Å; T43-E46 PolarHBondContact OG1-OE2 3.2Å; E46-C50 HydrophobicContact CB-CB 3.91Å; E46-C50 HydrophobicContact CG-CB 4.1Å; E46-H53 IonicContact OE1-CD2 3.14Å; E46-H53 IonicContact OE1-CE1 3.63Å; E46-H53 IonicContact OE1-NE2 3.65Å; E46-H53 PolarHBondContact OE1-NE2 3.19Å; E46-H53 IonicContact OE2-CD2 2.77Å; E46-H53 IonicContact OE2-NE2 2.79Å; E46-H53 PolarHBondContact OE2-NE2 3.36Å
47R93.4Very high96Very high193 Ų19358 Ų5873%0.72830%0.296SS*.  trans-84.1170.2177.8-61.1-80.6-87.7-175.8-8110.3R42 T49 C50R42-R47 VanDerWaalsContact CD-O 3.3Å; R42-R47 WeakPolarHBondContact CD-O 3.44Å; R42-R47 PolarHBondContact NE-O 3.27Å; R47-T49 PolarHBondContact O-N 3.34Å; R47-T49 VanDerWaalsContact O-N 3.15Å; R47-C50 PolarHBondContact N-SG 2.8Å; R47-C50 WeakPolarHBondContact O-CB 3.27Å; R47-C50 PolarHBondContact O-N 3.34Å; R47-C50 VanDerWaalsContact O-N 3.08Å
48S88.8Confident96Very high64 Ų6459.7 Ų59.745%0.44831%0.31SS..THydrogen-bonded Turntrans-65.2-15.3177.556.80000114.3N75S48-N75 PolarHBondContact O-ND2 3.15Å; S48-N75 VanDerWaalsContact O-ND2 3.16Å
49T89.8Confident96Very high120 Ų12062.5 Ų62.574%0.73633%0.327SS*.THydrogen-bonded Turntrans-78.4-25174.348.60000112.4R47R47-T49 PolarHBondContact O-N 3.34Å; R47-T49 VanDerWaalsContact O-N 3.15Å
50C92.9Very high96Very high42 Ų4262.5 Ų62.528%0.28433%0.327SS..SBendtrans-65.5142.8174.5-56.80000110.1R42 E46 R47R42-C50 PolarHBondContact NE-O 2.97Å; R42-C50 PolarHBondContact NH2-O 3.24Å; E46-C50 HydrophobicContact CB-CB 3.91Å; E46-C50 HydrophobicContact CG-CB 4.1Å; R47-C50 PolarHBondContact N-SG 2.8Å; R47-C50 WeakPolarHBondContact O-CB 3.27Å; R47-C50 PolarHBondContact O-N 3.34Å; R47-C50 VanDerWaalsContact O-N 3.08Å
51K94.1Very high95.9Very high174 Ų17462.1 Ų62.176%0.75733%0.329SS*.PPolyproline II helixtrans-60.1146.9175.3-168.9174.2178.41790109.8
52N96.7Very high95.9Very high11 Ų1165.3 Ų65.36%0.05936%0.361CS..PPolyproline II helixtrans-78.6132.5173.4-159.565.2000108.9G41 N54 N71 G72G41-N52 VanDerWaalsContact C-OD1 3.23Å; G41-N52 WeakPolarHBondContact CA-OD1 3.44Å; G41-N52 PolarHBondContact N-OD1 3.45Å; G41-N52 CarbonylContact O-C 3.56Å; G41-N52 WeakPolarHBondContact O-CA 3.45Å; G41-N52 PolarHBondContact O-OD1 3.43Å; N52-N54 WeakPolarHBondContact CB-OD1 3.21Å; N52-N54 PolarHBondContact ND2-OD1 3.18Å; N52-N54 PolarHBondContact O-N 2.77Å; N52-N54 PolarHBondContact O-OD1 3.04Å; N52-N71 PolarHBondContact ND2-O 3.4Å; N52-N71 PolarHBondContact OD1-O 2.75Å; N52-G72 WeakPolarHBondContact OD1-CA 3.37Å
53H97.1Very high95.9Very high77 Ų7770.4 Ų70.436%0.35639%0.389SS..  trans-79.270.9178.1-65-79000110.5L15 G41 E46 A55 S56 I57L15-H53 HydrophobicContact CD1-CB 3.64Å; G41-H53 PolarHBondContact O-CD2 3.16Å; G41-H53 PolarHBondContact O-N 2.93Å; E46-H53 IonicContact OE1-CD2 3.14Å; E46-H53 IonicContact OE1-CE1 3.63Å; E46-H53 IonicContact OE1-NE2 3.65Å; E46-H53 PolarHBondContact OE1-NE2 3.19Å; E46-H53 IonicContact OE2-CD2 2.77Å; E46-H53 IonicContact OE2-NE2 2.79Å; E46-H53 PolarHBondContact OE2-NE2 3.36Å; H53-A55 VanDerWaalsContact C-N 3.26Å; H53-A55 PolarHBondContact O-N 3.42Å; H53-S56 PolarHBondContact O-N 3.25Å; H53-I57 PolarHBondContact O-N 2.73Å
54N97.3Very high95.9Very high25 Ų2570.1 Ų70.113%0.13439%0.386CS..Hα-helixtrans-60.4-36.6-176.9-66.7-1.7000112.1N52 S56 I57 A58 E76 F86 T90N52-N54 WeakPolarHBondContact CB-OD1 3.21Å; N52-N54 PolarHBondContact ND2-OD1 3.18Å; N52-N54 PolarHBondContact O-N 2.77Å; N52-N54 PolarHBondContact O-OD1 3.04Å; N54-S56 PolarHBondContact O-N 3.47Å; N54-I57 PolarHBondContact O-N 3.17Å; N54-A58 PolarHBondContact O-N 2.94Å; N54-E76 PolarHBondContact ND2-OE1 3.26Å; N54-E76 PolarHBondContact ND2-OE2 2.73Å; N54-F86 WeakPolarHBondContact OD1-CE2 3.46Å; N54-T90 HydrophobicContact CB-CG2 3.87Å
55A97.4Very high96Very high75 Ų7570.6 Ų70.662%0.6239%0.393SS*.Hα-helixtrans-61.2-41.3176.700000112.3H53 I57 A58 T59H53-A55 VanDerWaalsContact C-N 3.26Å; H53-A55 PolarHBondContact O-N 3.42Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.94Å; A55-A58 WeakPolarHBondContact O-CB 3.45Å; A55-A58 PolarHBondContact O-N 3.31Å; A55-T59 PolarHBondContact O-N 3.12Å; A55-T59 PolarHBondContact O-OG1 3.13Å
56S97.9Very high96.1Very high27 Ų2761.6 Ų61.619%0.18936%0.362CS..Hα-helixtrans-63.4-40.6175.5-56.10000111.8H53 N54 A58 T59 I60H53-S56 PolarHBondContact O-N 3.25Å; N54-S56 PolarHBondContact O-N 3.47Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-T59 PolarHBondContact O-N 3.24Å; S56-I60 WeakPolarHBondContact O-CD1 3.37Å; S56-I60 VanDerWaalsContact O-CG1 3.24Å; S56-I60 WeakPolarHBondContact O-CG1 3.24Å; S56-I60 PolarHBondContact O-N 3.33Å; S56-I60 VanDerWaalsContact O-N 3.12Å
57I98.2Very high96.2Very high0 Ų062.1 Ų62.10%037%0.369CS..Hα-helixtrans-62.1-44.3174-57.5176.3000110.1I39 H53 N54 A55 T59 I60 A61 V68 A70 T90I39-I57 HydrophobicContact CB-CG1 4.49Å; I39-I57 HydrophobicContact CG2-CG1 4.05Å; H53-I57 PolarHBondContact O-N 2.73Å; N54-I57 PolarHBondContact O-N 3.17Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.94Å; I57-T59 PolarHBondContact O-N 3.46Å; I57-I60 PolarHBondContact O-N 3.21Å; I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 2.88Å; I57-V68 HydrophobicContact CG2-CG1 4.15Å; I57-A70 HydrophobicContact CD1-CB 4.37Å; I57-A70 HydrophobicContact CG2-CB 4.04Å; I57-T90 HydrophobicContact CB-CG2 4.24Å; I57-T90 HydrophobicContact CD1-CG2 4.3Å; I57-T90 HydrophobicContact CG2-CG2 4.28Å
58A98.1Very high96.5Very high35 Ų3553.1 Ų53.129%0.28934%0.335SS..Hα-helixtrans-60-44.8178.600000112.8N54 A55 S56 I60 A61 G62 T90N54-A58 PolarHBondContact O-N 2.94Å; A55-A58 WeakPolarHBondContact O-CB 3.45Å; A55-A58 PolarHBondContact O-N 3.31Å; S56-A58 VanDerWaalsContact C-N 3.34Å; A58-I60 PolarHBondContact O-N 3.25Å; A58-A61 PolarHBondContact O-N 3.18Å; A58-G62 PolarHBondContact O-N 3.3Å; A58-G62 VanDerWaalsContact O-N 3.08Å; A58-T90 WeakPolarHBondContact CA-O 3.35Å
59T98Very high96.9Very high64 Ų6451.5 Ų51.539%0.39332%0.321SS..Hα-helixtrans-59.9-45.2175.2-54.80000111.6L19 A55 S56 I57 G62 L63L19-T59 HydrophobicContact CD2-CG2 4.05Å; A55-T59 PolarHBondContact O-N 3.12Å; A55-T59 PolarHBondContact O-OG1 3.13Å; S56-T59 PolarHBondContact O-N 3.24Å; I57-T59 PolarHBondContact O-N 3.46Å; T59-G62 PolarHBondContact O-N 2.88Å; T59-L63 HydrophobicContact CG2-CD1 4.16Å; T59-L63 WeakPolarHBondContact O-CG 3.48Å; T59-L63 PolarHBondContact O-N 3.13Å
60I98Very high97.3Very high0 Ų045.8 Ų45.80%029%0.286CS..Hα-helixtrans-67.5-42.7-179.6-61.8160.9000110.9L15 L19 T22 L23 C26 I39 S56 I57 A58 G62 L63 L64L15-I60 HydrophobicContact CD2-CD1 3.97Å; L19-I60 HydrophobicContact CD1-CD1 4.03Å; L19-I60 HydrophobicContact CD1-CG1 4.02Å; T22-I60 HydrophobicContact CG2-CD1 3.59Å; L23-I60 HydrophobicContact CD2-CB 4.14Å; L23-I60 HydrophobicContact CD2-CG1 3.64Å; L23-I60 HydrophobicContact CD2-CG2 4.24Å; L23-I60 HydrophobicContact CG-CG1 4.24Å; C26-I60 HydrophobicContact CB-CG2 4.34Å; I39-I60 HydrophobicContact CD1-CB 3.96Å; I39-I60 HydrophobicContact CD1-CD1 4.01Å; I39-I60 HydrophobicContact CD1-CG2 3.42Å; I39-I60 VanDerWaalsContact CD1-CG2 3.42Å; S56-I60 WeakPolarHBondContact O-CD1 3.37Å; S56-I60 VanDerWaalsContact O-CG1 3.24Å; S56-I60 WeakPolarHBondContact O-CG1 3.24Å; S56-I60 PolarHBondContact O-N 3.33Å; S56-I60 VanDerWaalsContact O-N 3.12Å; I57-I60 PolarHBondContact O-N 3.21Å; A58-I60 PolarHBondContact O-N 3.25Å; I60-G62 VanDerWaalsContact C-N 3.25Å; I60-G62 PolarHBondContact O-N 2.84Å; I60-L63 PolarHBondContact O-N 2.62Å; I60-L63 VanDerWaalsContact O-N 3.11Å; I60-L64 HydrophobicContact CG2-CD1 3.51Å; I60-L64 HydrophobicContact CG2-CG 3.98Å; I60-L64 WeakPolarHBondContact O-CG 3.48Å; I60-L64 PolarHBondContact O-N 2.83Å; I60-L64 VanDerWaalsContact O-N 3.13Å
61A98Very high97.6Very high19 Ų1944.4 Ų44.416%0.15728%0.276CS..Hα-helixtrans-61.9-31.5178.700000113.2I57 A58 L63 V68I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 2.88Å; A58-A61 PolarHBondContact O-N 3.18Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-V68 HydrophobicContact CB-CB 3.9Å; A61-V68 HydrophobicContact CB-CG1 4.11Å; A61-V68 HydrophobicContact CB-CG2 4.14Å
62G97.7Very high97.7Very high67 Ų6736.4 Ų36.469%0.69124%0.243SC*.Hα-helixtrans-77.3-14.2175.800000115A58 T59 I60A58-G62 PolarHBondContact O-N 3.3Å; A58-G62 VanDerWaalsContact O-N 3.08Å; T59-G62 PolarHBondContact O-N 2.88Å; I60-G62 VanDerWaalsContact C-N 3.25Å; I60-G62 PolarHBondContact O-N 2.84Å
63L97.5Very high97.5Very high113 Ų11336 Ų3659%0.59224%0.241SC*.Hα-helixtrans-106.2-28.5-175.5-68.7173.8000113.8L23 T59 I60 A61L23-L63 HydrophobicContact CD1-CD1 3.91Å; L23-L63 HydrophobicContact CD2-CB 4.42Å; L23-L63 HydrophobicContact CD2-CD1 3.67Å; L23-L63 HydrophobicContact CG-CD1 4.47Å; T59-L63 HydrophobicContact CG2-CD1 4.16Å; T59-L63 WeakPolarHBondContact O-CG 3.48Å; T59-L63 PolarHBondContact O-N 3.13Å; I60-L63 PolarHBondContact O-N 2.62Å; I60-L63 VanDerWaalsContact O-N 3.11Å; A61-L63 VanDerWaalsContact C-N 3.34Å
64L96.8Very high97.1Very high16 Ų1633 Ų338%0.08423%0.229CC..  trans-82.8147.1179.3-62.2177000111.5C26 I37 I60 V66 V68C26-L64 HydrophobicContact CB-CD1 3.77Å; C26-L64 HydrophobicContact CB-CD2 3.84Å; C26-L64 HydrophobicContact CB-CG 4.33Å; I37-L64 HydrophobicContact CD1-CD1 4.13Å; I60-L64 HydrophobicContact CG2-CD1 3.51Å; I60-L64 HydrophobicContact CG2-CG 3.98Å; I60-L64 WeakPolarHBondContact O-CG 3.48Å; I60-L64 PolarHBondContact O-N 2.83Å; I60-L64 VanDerWaalsContact O-N 3.13Å; L64-V66 HydrophobicContact CB-CG2 4.39Å; L64-V68 HydrophobicContact CB-CG2 4.42Å; L64-V68 HydrophobicContact CD1-CG2 3.78Å
65S97.2Very high96.6Very high107 Ų10735.5 Ų35.575%0.74824%0.242SC*.SBendtrans-84.4-29.1173.671.20000112.5E30E30-S65 WeakPolarHBondContact OE1-CA 3.32Å; E30-S65 WeakPolarHBondContact OE1-CB 3.39Å; E30-S65 PolarHBondContact OE1-N 3.25Å; E30-S65 PolarHBondContact OE1-OG 3.47Å
66V97.3Very high96.3Very high23 Ų2335.6 Ų35.614%0.13923%0.23CC..SBendtrans-76.7146.9175.3-660000112.2E30 V34 I37 L64 V68E30-V66 HydrophobicContact CB-CG2 4.38Å; E30-V66 HydrophobicContact CG-CG1 3.92Å; E30-V66 HydrophobicContact CG-CG2 4.1Å; E30-V66 PolarHBondContact OE1-N 3.14Å; V34-V66 WeakPolarHBondContact O-CG1 3.2Å; I37-V66 HydrophobicContact CD1-CG2 4.03Å; I37-V66 HydrophobicContact CG1-CG2 4.05Å; L64-V66 HydrophobicContact CB-CG2 4.39Å; V66-V68 PolarHBondContact O-N 3.25Å
67P98.3Very high96.1Very high53 Ų5334.4 Ų34.434%0.34422%0.221SC..PPolyproline II helixtrans-55.3124.3176.4-26.333.8000113.2S35 A36 I37 K93S35-P67 WeakPolarHBondContact O-CD 3.29Å; A36-P67 WeakPolarHBondContact CA-O 3.32Å; A36-P67 HydrophobicContact CB-CB 4.26Å; A36-P67 WeakPolarHBondContact CB-O 3.43Å; I37-P67 PolarHBondContact N-O 2.88Å; P67-K93 HydrophobicContact CB-CB 4.02Å; P67-K93 HydrophobicContact CB-CG 4.18Å
68V98.6Very high95.9Very high4 Ų441 Ų412%0.02425%0.25CS..EExtended strand (participates in β ladder)trans-89.6134.3169.7175.30000110.6I37 I39 I57 A61 L64 V66 S92 K93 H94I37-V68 CarbonylContact O-C 3.54Å; I37-V68 WeakPolarHBondContact O-CA 3.33Å; I39-V68 HydrophobicContact CD1-CG1 3.79Å; I39-V68 HydrophobicContact CD1-CG2 4.43Å; I39-V68 HydrophobicContact CG1-CG1 4.11Å; I57-V68 HydrophobicContact CG2-CG1 4.15Å; A61-V68 HydrophobicContact CB-CB 3.9Å; A61-V68 HydrophobicContact CB-CG1 4.11Å; A61-V68 HydrophobicContact CB-CG2 4.14Å; L64-V68 HydrophobicContact CB-CG2 4.42Å; L64-V68 HydrophobicContact CD1-CG2 3.78Å; V66-V68 PolarHBondContact O-N 3.25Å; V68-S92 WeakPolarHBondContact O-CB 3.29Å; V68-K93 PolarHBondContact O-N 2.77Å; V68-H94 PolarHBondContact O-N 2.9Å
69I98.7Very high95.8Very high29 Ų2941.3 Ų41.315%0.14925%0.25CS..EExtended strand (participates in β ladder)trans-110.1110.2175.9-48.5176000108.8A36 I37 A38 I39 H94 M96A36-I69 HydrophobicContact CB-CD1 4.09Å; A36-I69 HydrophobicContact CB-CG1 4.41Å; I37-I69 PolarHBondContact O-N 2.92Å; A38-I69 CarbonylContact C-O 3.56Å; A38-I69 VanDerWaalsContact CA-O 3.28Å; A38-I69 WeakPolarHBondContact CA-O 3.31Å; A38-I69 HydrophobicContact CB-CB 3.98Å; I39-I69 PolarHBondContact N-O 2.6Å; I69-H94 CarbonylContact C-O 3.53Å; I69-H94 VanDerWaalsContact CA-O 3.31Å; I69-H94 WeakPolarHBondContact CA-O 3.26Å; I69-H94 HydrophobicContact CG1-CB 4.22Å; I69-H94 HydrophobicContact CG2-CB 4.12Å; I69-M96 HydrophobicContact CG2-CB 3.7Å
70A98.5Very high95.7Very high0 Ų041.4 Ų41.40%025%0.246CC..EExtended strand (participates in β ladder)trans-74135.5-178.700000111.9I57 F86 T90 S92 H94 V95 M96I57-A70 HydrophobicContact CD1-CB 4.37Å; I57-A70 HydrophobicContact CG2-CB 4.04Å; A70-F86 HydrophobicContact CB-CD1 4.31Å; A70-F86 HydrophobicContact CB-CE1 3.55Å; A70-F86 HydrophobicContact CB-CZ 3.96Å; A70-T90 HydrophobicContact CB-CG2 4.01Å; A70-T90 VanDerWaalsContact CB-OG1 3.28Å; A70-T90 WeakPolarHBondContact CB-OG1 3.28Å; A70-S92 VanDerWaalsContact CB-OG 3.31Å; A70-S92 WeakPolarHBondContact CB-OG 3.44Å; A70-H94 PolarHBondContact N-O 2.93Å; A70-V95 WeakPolarHBondContact O-CA 3.34Å; A70-M96 PolarHBondContact O-N 3.11Å
71N98.3Very high95.6Very high14 Ų1444 Ų448%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-136.2153.5178.1-179.2-119.3000111.5K12 I39 H40 G41 N52 M96K12-N71 WeakPolarHBondContact CE-OD1 3.37Å; K12-N71 PolarHBondContact NZ-OD1 2.84Å; I39-N71 PolarHBondContact O-N 3.47Å; H40-N71 WeakPolarHBondContact CA-O 3.44Å; H40-N71 HydrophobicContact CB-CB 4.31Å; H40-N71 WeakPolarHBondContact CB-OD1 3.3Å; G41-N71 PolarHBondContact N-O 3.09Å; N52-N71 PolarHBondContact ND2-O 3.4Å; N52-N71 PolarHBondContact OD1-O 2.75Å; N71-M96 HydrophobicContact CB-CB 4.26Å; N71-M96 PolarHBondContact ND2-O 2.84Å
72G96.3Very high95.6Very high5 Ų544.2 Ų44.25%0.05227%0.266CS..  trans112.2-10.5172.400000115.7R42 N52 S74R42-G72 PolarHBondContact NH1-O 3.18Å; R42-G72 PolarHBondContact NH2-O 2.92Å; N52-G72 WeakPolarHBondContact OD1-CA 3.37Å; G72-S74 PolarHBondContact O-N 3.23Å; G72-S74 VanDerWaalsContact O-N 3.13Å
73G93.1Very high95.5Very high3 Ų342 Ų423%0.03124%0.239CC..  trans-73.813.9-177.900000116.6N75 E76 I77G73-N75 PolarHBondContact O-N 2.78Å; G73-E76 WeakPolarHBondContact CA-OE1 3.36Å; G73-E76 WeakPolarHBondContact O-CG 3.28Å; G73-E76 PolarHBondContact O-N 3.36Å; G73-I77 WeakPolarHBondContact O-CD1 3.36Å; G73-I77 VanDerWaalsContact O-CG1 3.27Å; G73-I77 WeakPolarHBondContact O-CG1 3.25Å; G73-I77 PolarHBondContact O-N 3.45Å; G73-I77 VanDerWaalsContact O-N 3.12Å
74S87.9Confident95.5Very high14 Ų1440.2 Ų40.210%0.09823%0.227CC..THydrogen-bonded Turntrans-64.4-6.8-177.5-52.60000115.5G72 R99G72-S74 PolarHBondContact O-N 3.23Å; G72-S74 VanDerWaalsContact O-N 3.13Å; S74-R99 PolarHBondContact OG-N 2.83Å
75N87.1Confident95.5Very high77 Ų7745.4 Ų45.441%0.41225%0.249SC..THydrogen-bonded Turntrans-91.5-4.7172.2-60.6-6.1000112.4S48 G73 F78 R99S48-N75 PolarHBondContact O-ND2 3.15Å; S48-N75 VanDerWaalsContact O-ND2 3.16Å; G73-N75 PolarHBondContact O-N 2.78Å; N75-F78 WeakPolarHBondContact O-CE2 3.45Å; N75-F78 WeakPolarHBondContact O-CZ 3.18Å; N75-R99 PolarHBondContact OD1-NH1 3.46Å; N75-R99 PolarHBondContact OD1-NH2 3.08Å
76E91.1Very high95.5Very high77 Ų7740.7 Ų40.736%0.3622%0.215SC..THydrogen-bonded Turntrans-125.6-0.6-179.156.8-17316700112.1N54 G73 F86N54-E76 PolarHBondContact ND2-OE1 3.26Å; N54-E76 PolarHBondContact ND2-OE2 2.73Å; G73-E76 WeakPolarHBondContact CA-OE1 3.36Å; G73-E76 WeakPolarHBondContact O-CG 3.28Å; G73-E76 PolarHBondContact O-N 3.36Å; E76-F86 HydrophobicContact CG-CD2 4.33Å; E76-F86 WeakPolarHBondContact OE1-CD2 3.47Å; E76-F86 WeakPolarHBondContact OE1-CE2 3.31Å
77I94.1Very high95.5Very high2 Ų243.3 Ų43.31%0.0122%0.222CC..  trans-114.6104.2-178.9-60.9163.8000108.5G73 D82 L83 F86 V95 I97 I107G73-I77 WeakPolarHBondContact O-CD1 3.36Å; G73-I77 VanDerWaalsContact O-CG1 3.27Å; G73-I77 WeakPolarHBondContact O-CG1 3.25Å; G73-I77 PolarHBondContact O-N 3.45Å; G73-I77 VanDerWaalsContact O-N 3.12Å; I77-D82 HydrophobicContact CB-CB 4.36Å; I77-D82 HydrophobicContact CG1-CB 4.46Å; I77-D82 HydrophobicContact CG2-CB 4.26Å; I77-L83 HydrophobicContact CD1-CD2 4.25Å; I77-L83 HydrophobicContact CG2-CD2 3.62Å; I77-L83 HydrophobicContact CG2-CG 4.02Å; I77-F86 HydrophobicContact CD1-CB 4.03Å; I77-F86 HydrophobicContact CD1-CD1 3.79Å; I77-F86 HydrophobicContact CD1-CE1 4.4Å; I77-F86 HydrophobicContact CD1-CG 3.89Å; I77-F86 HydrophobicContact CG1-CB 4.12Å; I77-F86 HydrophobicContact CG1-CG 4.39Å; I77-V95 HydrophobicContact CD1-CG1 4.37Å; I77-I97 HydrophobicContact CD1-CG2 3.88Å; I77-I97 HydrophobicContact CG2-CG2 4.47Å; I77-I107 HydrophobicContact CG2-CD1 3.93Å
78F93.4Very high95.5Very high139 Ų13946.5 Ų46.561%0.6123%0.233SC*.  trans-116.5-13.6179.9-56.5-79.2000112.7N75 D82N75-F78 WeakPolarHBondContact O-CE2 3.45Å; N75-F78 WeakPolarHBondContact O-CZ 3.18Å; F78-D82 PolarHBondContact N-OD2 3.2Å; F78-D82 VanDerWaalsContact N-OD2 3.16Å
79S95.1Very high95.4Very high41 Ų4149.2 Ų49.229%0.28726%0.255SS..SBendtrans-140.5168.8179.169.10000111.5A81 D82S79-A81 VanDerWaalsContact C-N 3.26Å; S79-A81 PolarHBondContact O-N 2.86Å; S79-A81 PolarHBondContact OG-N 3.02Å; S79-D82 PolarHBondContact N-OD2 3.28Å; S79-D82 PolarHBondContact O-N 2.79Å; S79-D82 PolarHBondContact OG-N 2.97Å; S79-D82 PolarHBondContact OG-OD2 3.4Å
80H96.4Very high95.3Very high67 Ų6747.8 Ų47.831%0.3125%0.248SC..Hα-helixtrans-59.4-37.4172.9-178.7-86.6000112.2D82 L83 I107 F108 R109H80-D82 PolarHBondContact O-N 3.21Å; H80-L83 VanDerWaalsContact O-CB 3.24Å; H80-L83 WeakPolarHBondContact O-CB 3.32Å; H80-L83 PolarHBondContact O-N 2.88Å; H80-L83 VanDerWaalsContact O-N 3.11Å; H80-I107 WeakPolarHBondContact CB-O 3.44Å; H80-F108 PolarHBondContact CD2-O 3.09Å; H80-R109 WeakPolarHBondContact CB-O 3Å
81A96.7Very high95.3Very high55 Ų5550.3 Ų50.346%0.45527%0.274SS..Hα-helixtrans-62.6-32177.800000112.6S79 L83 E84 K85S79-A81 VanDerWaalsContact C-N 3.26Å; S79-A81 PolarHBondContact O-N 2.86Å; S79-A81 PolarHBondContact OG-N 3.02Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 2.75Å; A81-E84 PolarHBondContact O-N 2.92Å; A81-K85 PolarHBondContact O-N 3.07Å
82D97Very high95.2Very high23 Ų2349.8 Ų49.812%0.12327%0.271CS..Hα-helixtrans-72.5-21.7178.1-55.7-42.2000112.6I77 F78 S79 H80 E84 K85 F86I77-D82 HydrophobicContact CB-CB 4.36Å; I77-D82 HydrophobicContact CG1-CB 4.46Å; I77-D82 HydrophobicContact CG2-CB 4.26Å; F78-D82 PolarHBondContact N-OD2 3.2Å; F78-D82 VanDerWaalsContact N-OD2 3.16Å; S79-D82 PolarHBondContact N-OD2 3.28Å; S79-D82 PolarHBondContact O-N 2.79Å; S79-D82 PolarHBondContact OG-N 2.97Å; S79-D82 PolarHBondContact OG-OD2 3.4Å; H80-D82 PolarHBondContact O-N 3.21Å; D82-E84 VanDerWaalsContact C-N 3.3Å; D82-K85 PolarHBondContact O-N 3.4Å; D82-K85 IonicContact OD1-NZ 2.86Å; D82-K85 PolarHBondContact OD1-NZ 3.01Å; D82-F86 VanDerWaalsContact O-CB 3.27Å; D82-F86 WeakPolarHBondContact O-CB 3.29Å; D82-F86 PolarHBondContact O-N 3.44Å
83L96.7Very high95.3Very high21 Ų2155.9 Ų55.911%0.1130%0.296CS..Hα-helixtrans-60.3-44.9170.1-62.7168.7000110.4I77 H80 A81 F86 R87 V95 I97I77-L83 HydrophobicContact CD1-CD2 4.25Å; I77-L83 HydrophobicContact CG2-CD2 3.62Å; I77-L83 HydrophobicContact CG2-CG 4.02Å; H80-L83 VanDerWaalsContact O-CB 3.24Å; H80-L83 WeakPolarHBondContact O-CB 3.32Å; H80-L83 PolarHBondContact O-N 2.88Å; H80-L83 VanDerWaalsContact O-N 3.11Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 2.75Å; L83-F86 PolarHBondContact O-N 2.9Å; L83-R87 WeakPolarHBondContact O-CB 3.43Å; L83-R87 PolarHBondContact O-N 3.46Å; L83-V95 HydrophobicContact CD2-CG1 4Å; L83-I97 HydrophobicContact CD2-CD1 4.15Å; L83-I97 HydrophobicContact CD2-CG2 3.45Å; L83-I97 VanDerWaalsContact CD2-CG2 3.45Å
84E95.8Very high95.5Very high75 Ų7560.4 Ų60.435%0.3532%0.317SS..Hα-helixtrans-69.6-42.4179.9-179.955.4-158.400111.4A81 D82 F86 R87 Q88A81-E84 PolarHBondContact O-N 2.92Å; D82-E84 VanDerWaalsContact C-N 3.3Å; E84-F86 VanDerWaalsContact C-N 3.31Å; E84-F86 PolarHBondContact O-N 2.98Å; E84-R87 WeakPolarHBondContact O-CB 3.47Å; E84-R87 PolarHBondContact O-N 3.23Å; E84-R87 IonicContact OE1-CZ 3.85Å; E84-R87 IonicContact OE1-NE 3.73Å; E84-R87 PolarHBondContact OE1-NE 3.23Å; E84-R87 IonicContact OE1-NH2 3.99Å; E84-R87 PolarHBondContact OE1-NH2 3.42Å; E84-R87 IonicContact OE2-CZ 3.28Å; E84-R87 IonicContact OE2-NE 3.63Å; E84-R87 PolarHBondContact OE2-NE 3.34Å; E84-R87 IonicContact OE2-NH2 3.83Å; E84-Q88 WeakPolarHBondContact O-CB 3.37Å; E84-Q88 VanDerWaalsContact O-CG 3.3Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.45Å; E84-Q88 WeakPolarHBondContact OE1-CG 3.35Å; E84-Q88 PolarHBondContact OE1-NE2 3.43Å
85K96.9Very high96Very high125 Ų12561.6 Ų61.654%0.54332%0.323SS..Hα-helixtrans-57.8-45.1173.2-64.8176.6-165.2157.20111.6A81 D82 Q88 A89A81-K85 PolarHBondContact O-N 3.07Å; D82-K85 PolarHBondContact O-N 3.4Å; D82-K85 IonicContact OD1-NZ 2.86Å; D82-K85 PolarHBondContact OD1-NZ 3.01Å; K85-Q88 PolarHBondContact O-N 3.16Å; K85-A89 WeakPolarHBondContact O-CB 3.3Å; K85-A89 PolarHBondContact O-N 3.43Å
86F97.6Very high96.5Very high7 Ų761.2 Ų61.23%0.03132%0.32CS..Hα-helixtrans-64.1-44.3177.5-179.4-113.4000111.3N54 A70 E76 I77 D82 L83 E84 Q88 A89 T90 V95N54-F86 WeakPolarHBondContact OD1-CE2 3.46Å; A70-F86 HydrophobicContact CB-CD1 4.31Å; A70-F86 HydrophobicContact CB-CE1 3.55Å; A70-F86 HydrophobicContact CB-CZ 3.96Å; E76-F86 HydrophobicContact CG-CD2 4.33Å; E76-F86 WeakPolarHBondContact OE1-CD2 3.47Å; E76-F86 WeakPolarHBondContact OE1-CE2 3.31Å; I77-F86 HydrophobicContact CD1-CB 4.03Å; I77-F86 HydrophobicContact CD1-CD1 3.79Å; I77-F86 HydrophobicContact CD1-CE1 4.4Å; I77-F86 HydrophobicContact CD1-CG 3.89Å; I77-F86 HydrophobicContact CG1-CB 4.12Å; I77-F86 HydrophobicContact CG1-CG 4.39Å; D82-F86 VanDerWaalsContact O-CB 3.27Å; D82-F86 WeakPolarHBondContact O-CB 3.29Å; D82-F86 PolarHBondContact O-N 3.44Å; L83-F86 PolarHBondContact O-N 2.9Å; E84-F86 VanDerWaalsContact C-N 3.31Å; E84-F86 PolarHBondContact O-N 2.98Å; F86-Q88 VanDerWaalsContact C-N 3.32Å; F86-Q88 PolarHBondContact O-N 2.93Å; F86-A89 PolarHBondContact O-N 2.93Å; F86-T90 HydrophobicContact CD2-CG2 4.23Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 4.03Å; F86-T90 PolarHBondContact O-N 3.14Å; F86-T90 PolarHBondContact O-OG1 2.95Å; F86-V95 HydrophobicContact CD1-CB 4.29Å; F86-V95 HydrophobicContact CD1-CG1 3.6Å; F86-V95 HydrophobicContact CD1-CG2 3.68Å; F86-V95 HydrophobicContact CE1-CG1 3.98Å; F86-V95 HydrophobicContact CE1-CG2 4.33Å
87R97.9Very high96.7Very high79 Ų7958.5 Ų58.530%0.29831%0.308SS..Hα-helixtrans-56.5-45.6176.4-167-166.467.771.6-1111.9L83 E84 T90 G91 S92 V95L83-R87 WeakPolarHBondContact O-CB 3.43Å; L83-R87 PolarHBondContact O-N 3.46Å; E84-R87 WeakPolarHBondContact O-CB 3.47Å; E84-R87 PolarHBondContact O-N 3.23Å; E84-R87 IonicContact OE1-CZ 3.85Å; E84-R87 IonicContact OE1-NE 3.73Å; E84-R87 PolarHBondContact OE1-NE 3.23Å; E84-R87 IonicContact OE1-NH2 3.99Å; E84-R87 PolarHBondContact OE1-NH2 3.42Å; E84-R87 IonicContact OE2-CZ 3.28Å; E84-R87 IonicContact OE2-NE 3.63Å; E84-R87 PolarHBondContact OE2-NE 3.34Å; E84-R87 IonicContact OE2-NH2 3.83Å; R87-T90 PolarHBondContact O-OG1 3.26Å; R87-G91 PolarHBondContact O-N 3.12Å; R87-S92 VanDerWaalsContact CG-O 3.23Å; R87-S92 WeakPolarHBondContact CG-O 3.38Å; R87-S92 PolarHBondContact NH1-O 3.37Å; R87-S92 PolarHBondContact O-N 3.16Å; R87-V95 HydrophobicContact CB-CG2 3.55Å; R87-V95 HydrophobicContact CG-CG2 4Å
88Q97.4Very high96.7Very high119 Ų11960.3 Ų60.356%0.55633%0.327SS*.Hα-helixtrans-66.4-47.3178.4-70.91764.800111.3E84 K85 F86 T90 G91E84-Q88 WeakPolarHBondContact O-CB 3.37Å; E84-Q88 VanDerWaalsContact O-CG 3.3Å; E84-Q88 WeakPolarHBondContact O-CG 3.5Å; E84-Q88 PolarHBondContact O-N 3.45Å; E84-Q88 WeakPolarHBondContact OE1-CG 3.35Å; E84-Q88 PolarHBondContact OE1-NE2 3.43Å; K85-Q88 PolarHBondContact O-N 3.16Å; F86-Q88 VanDerWaalsContact C-N 3.32Å; F86-Q88 PolarHBondContact O-N 2.93Å; Q88-T90 PolarHBondContact O-N 3.01Å; Q88-G91 PolarHBondContact O-N 3.08Å; Q88-G91 VanDerWaalsContact O-N 3.07Å
89A96.6Very high96.6Very high61 Ų6158 Ų5850%0.50431%0.314SS..Hα-helixtrans-61.1-30.6-18000000113.3K85 F86K85-A89 WeakPolarHBondContact O-CB 3.3Å; K85-A89 PolarHBondContact O-N 3.43Å; F86-A89 PolarHBondContact O-N 2.93Å
90T97.6Very high96.4Very high0 Ų056.6 Ų56.60%031%0.305CS..THydrogen-bonded Turntrans-95.61.8177.657.20000113.8N54 I57 A58 A70 F86 R87 Q88 S92N54-T90 HydrophobicContact CB-CG2 3.87Å; I57-T90 HydrophobicContact CB-CG2 4.24Å; I57-T90 HydrophobicContact CD1-CG2 4.3Å; I57-T90 HydrophobicContact CG2-CG2 4.28Å; A58-T90 WeakPolarHBondContact CA-O 3.35Å; A70-T90 HydrophobicContact CB-CG2 4.01Å; A70-T90 VanDerWaalsContact CB-OG1 3.28Å; A70-T90 WeakPolarHBondContact CB-OG1 3.28Å; F86-T90 HydrophobicContact CD2-CG2 4.23Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 4.03Å; F86-T90 PolarHBondContact O-N 3.14Å; F86-T90 PolarHBondContact O-OG1 2.95Å; R87-T90 PolarHBondContact O-OG1 3.26Å; Q88-T90 PolarHBondContact O-N 3.01Å; T90-S92 PolarHBondContact O-N 3.02Å; T90-S92 PolarHBondContact OG1-OG 3.12Å
91G97.4Very high96.3Very high53 Ų5354.3 Ų54.355%0.54630%0.297SS..THydrogen-bonded Turntrans56.615.1-176.200000114.5R87 Q88R87-G91 PolarHBondContact O-N 3.12Å; Q88-G91 PolarHBondContact O-N 3.08Å; Q88-G91 VanDerWaalsContact O-N 3.07Å
92S97.7Very high96.1Very high2 Ų254.5 Ų54.51%0.01429%0.29CS..  trans-84.1156.3-170.261.50000111.8V68 A70 R87 T90 H94V68-S92 WeakPolarHBondContact O-CB 3.29Å; A70-S92 VanDerWaalsContact CB-OG 3.31Å; A70-S92 WeakPolarHBondContact CB-OG 3.44Å; R87-S92 VanDerWaalsContact CG-O 3.23Å; R87-S92 WeakPolarHBondContact CG-O 3.38Å; R87-S92 PolarHBondContact NH1-O 3.37Å; R87-S92 PolarHBondContact O-N 3.16Å; T90-S92 PolarHBondContact O-N 3.02Å; T90-S92 PolarHBondContact OG1-OG 3.12Å; S92-H94 PolarHBondContact OG-O 3.27Å
93K97.9Very high95.7Very high133 Ų13354.1 Ų54.158%0.57829%0.289SS*.SBendtrans-71.5-38.8177-171.368.6176.6-176.30111.5P67 V68P67-K93 HydrophobicContact CB-CB 4.02Å; P67-K93 HydrophobicContact CB-CG 4.18Å; V68-K93 PolarHBondContact O-N 2.77Å
94H97.7Very high95.5Very high99 Ų9953.6 Ų53.646%0.45829%0.286SS..EExtended strand (participates in β ladder)trans-141.2168-177.6-57.1-61.7000111.8V68 I69 A70 S92V68-H94 PolarHBondContact O-N 2.9Å; I69-H94 CarbonylContact C-O 3.53Å; I69-H94 VanDerWaalsContact CA-O 3.31Å; I69-H94 WeakPolarHBondContact CA-O 3.26Å; I69-H94 HydrophobicContact CG1-CB 4.22Å; I69-H94 HydrophobicContact CG2-CB 4.12Å; A70-H94 PolarHBondContact N-O 2.93Å; S92-H94 PolarHBondContact OG-O 3.27Å
95V97.8Very high95.5Very high38 Ų3852.8 Ų52.823%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-121.1138.9176.8172.70000109.9A70 I77 L83 F86 R87 I97A70-V95 WeakPolarHBondContact O-CA 3.34Å; I77-V95 HydrophobicContact CD1-CG1 4.37Å; L83-V95 HydrophobicContact CD2-CG1 4Å; F86-V95 HydrophobicContact CD1-CB 4.29Å; F86-V95 HydrophobicContact CD1-CG1 3.6Å; F86-V95 HydrophobicContact CD1-CG2 3.68Å; F86-V95 HydrophobicContact CE1-CG1 3.98Å; F86-V95 HydrophobicContact CE1-CG2 4.33Å; R87-V95 HydrophobicContact CB-CG2 3.55Å; R87-V95 HydrophobicContact CG-CG2 4Å; V95-I97 HydrophobicContact CG1-CG2 3.98Å
96M98.1Very high95.4Very high70 Ų7047.2 Ų47.235%0.34526%0.264SS..EExtended strand (participates in β ladder)trans-115123.7171.3177.1-172.1-66.900109.1K12 A38 I69 A70 N71K12-M96 HydrophobicContact CD-SD 4.04Å; A38-M96 HydrophobicContact CB-CE 3.69Å; A38-M96 HydrophobicContact CB-SD 4.4Å; I69-M96 HydrophobicContact CG2-CB 3.7Å; A70-M96 PolarHBondContact O-N 3.11Å; N71-M96 HydrophobicContact CB-CB 4.26Å; N71-M96 PolarHBondContact ND2-O 2.84Å
97I95.2Very high95.3Very high20 Ų2047.2 Ų47.210%0.10326%0.264CS..  trans-109.5147.2176.158.4175.6000111.7I77 L83 V95 A101 I107 F108I77-I97 HydrophobicContact CD1-CG2 3.88Å; I77-I97 HydrophobicContact CG2-CG2 4.47Å; L83-I97 HydrophobicContact CD2-CD1 4.15Å; L83-I97 HydrophobicContact CD2-CG2 3.45Å; L83-I97 VanDerWaalsContact CD2-CG2 3.45Å; V95-I97 HydrophobicContact CG1-CG2 3.98Å; I97-A101 HydrophobicContact CD1-CB 3.86Å; I97-A101 HydrophobicContact CG1-CB 3.93Å; I97-I107 HydrophobicContact CD1-CG2 3.37Å; I97-F108 HydrophobicContact CD1-CD1 4Å; I97-F108 HydrophobicContact CD1-CE1 3.34Å; I97-F108 HydrophobicContact CD1-CE2 3.92Å; I97-F108 HydrophobicContact CD1-CZ 3.31Å; I97-F108 HydrophobicContact CG1-CE1 3.5Å; I97-F108 VanDerWaalsContact CG1-CE1 3.5Å; I97-F108 HydrophobicContact CG1-CE2 4.25Å; I97-F108 HydrophobicContact CG1-CZ 3.3Å
98G93.3Very high95.2Very high40 Ų4049 Ų4941%0.41227%0.274SS..SBendtrans-120.5-76.1176.100000111.5A100 A101 I102G98-A100 PolarHBondContact O-N 3.18Å; G98-A101 PolarHBondContact O-N 2.87Å; G98-I102 PolarHBondContact O-N 3.39Å; G98-I102 VanDerWaalsContact O-N 3.12Å
99R91.7Very high95.2Very high90 Ų9047.4 Ų47.434%0.3426%0.263SS..Hα-helixtrans-63.4-40.5-172.9-70.1174.6-70.7148.54.7113.5S74 N75 A101 I102 T103S74-R99 PolarHBondContact OG-N 2.83Å; N75-R99 PolarHBondContact OD1-NH1 3.46Å; N75-R99 PolarHBondContact OD1-NH2 3.08Å; R99-A101 VanDerWaalsContact C-N 3.32Å; R99-A101 PolarHBondContact O-N 3.23Å; R99-I102 VanDerWaalsContact O-CG2 3.29Å; R99-I102 WeakPolarHBondContact O-CG2 3.38Å; R99-I102 PolarHBondContact O-N 3.45Å; R99-T103 PolarHBondContact O-N 3.19Å; R99-T103 VanDerWaalsContact O-N 3.16Å; R99-T103 PolarHBondContact O-OG1 3.38Å
100A92Very high95.1Very high12 Ų1249 Ų4910%0.09927%0.268CS..Hα-helixtrans-64.3-38.7179.300000112G98 T103 N104 I107G98-A100 PolarHBondContact O-N 3.18Å; A100-T103 PolarHBondContact O-N 2.84Å; A100-N104 PolarHBondContact O-N 3.45Å; A100-I107 HydrophobicContact CB-CD1 3.62Å
101A94Very high95Very high18 Ų1855.4 Ų55.415%0.14930%0.303CS..Hα-helixtrans-69.6-34.9177.200000113.5I97 G98 R99 T103 N104 P105 I107 F108I97-A101 HydrophobicContact CD1-CB 3.86Å; I97-A101 HydrophobicContact CG1-CB 3.93Å; G98-A101 PolarHBondContact O-N 2.87Å; R99-A101 VanDerWaalsContact C-N 3.32Å; R99-A101 PolarHBondContact O-N 3.23Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-N104 CarbonylContact O-C 3.43Å; A101-N104 VanDerWaalsContact O-C 3.3Å; A101-P105 WeakPolarHBondContact O-CA 3.3Å; A101-P105 VanDerWaalsContact O-CD 3.3Å; A101-P105 WeakPolarHBondContact O-CD 3.37Å; A101-I107 HydrophobicContact CB-CG2 4.42Å; A101-F108 HydrophobicContact CB-CE2 3.82Å; A101-F108 HydrophobicContact CB-CZ 4.14Å
102I91.8Very high94.8Very high59 Ų5954.3 Ų54.330%0.30329%0.291SS..Hα-helixtrans-71.4-29.4175.8-156.7171.7000111.9G98 R99 R143 M144G98-I102 PolarHBondContact O-N 3.39Å; G98-I102 VanDerWaalsContact O-N 3.12Å; R99-I102 VanDerWaalsContact O-CG2 3.29Å; R99-I102 WeakPolarHBondContact O-CG2 3.38Å; R99-I102 PolarHBondContact O-N 3.45Å; I102-R143 HydrophobicContact CD1-CB 3.58Å; I102-R143 HydrophobicContact CD1-CG 3.71Å; I102-R143 HydrophobicContact CG1-CB 3.72Å; I102-R143 HydrophobicContact CG1-CG 4.42Å; I102-R143 HydrophobicContact CG2-CB 4.22Å; I102-M144 WeakPolarHBondContact O-CG 3.34Å
103T89Confident94.7Very high15 Ų1558.4 Ų58.49%0.09231%0.313CS..Hα-helixtrans-71.5-46.8174.1-60.30000111R99 A100 A101 E147R99-T103 PolarHBondContact O-N 3.19Å; R99-T103 VanDerWaalsContact O-N 3.16Å; R99-T103 PolarHBondContact O-OG1 3.38Å; A100-T103 PolarHBondContact O-N 2.84Å; A101-T103 VanDerWaalsContact C-N 3.32Å; T103-E147 HydrophobicContact CG2-CB 4.33Å; T103-E147 VanDerWaalsContact CG2-CD 3.43Å; T103-E147 HydrophobicContact CG2-CG 4.16Å; T103-E147 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E147 PolarHBondContact OG1-OE1 2.87Å
104N92.4Very high94.5Very high11 Ų1155.1 Ų55.16%0.05930%0.301CS..  trans-150.3103.3176-168.6-16000110.8A100 A101 S106 I107 L114 V119A100-N104 PolarHBondContact O-N 3.45Å; A101-N104 CarbonylContact O-C 3.43Å; A101-N104 VanDerWaalsContact O-C 3.3Å; N104-S106 PolarHBondContact ND2-OG 3.38Å; N104-S106 PolarHBondContact O-N 2.98Å; N104-S106 VanDerWaalsContact O-N 3.12Å; N104-S106 WeakPolarHBondContact OD1-CB 3.39Å; N104-S106 PolarHBondContact OD1-N 3.01Å; N104-S106 PolarHBondContact OD1-OG 2.59Å; N104-I107 WeakPolarHBondContact O-CB 3.46Å; N104-I107 WeakPolarHBondContact O-CG2 3.32Å; N104-I107 PolarHBondContact O-N 3.11Å; N104-I107 VanDerWaalsContact O-N 3.16Å; N104-L114 PolarHBondContact ND2-O 3.02Å; N104-V119 WeakPolarHBondContact OD1-CG2 3.27Å
105P94.8Very high94.1Very high57 Ų5754.5 Ų54.537%0.3730%0.301SS..G310 helixtrans-63.6-16.917924.2-36.1000113.6A101 I107 F108 V119 M144A101-P105 WeakPolarHBondContact O-CA 3.3Å; A101-P105 VanDerWaalsContact O-CD 3.3Å; A101-P105 WeakPolarHBondContact O-CD 3.37Å; P105-I107 PolarHBondContact O-N 2.8Å; P105-I107 VanDerWaalsContact O-N 3.09Å; P105-F108 VanDerWaalsContact O-CD2 3.3Å; P105-F108 WeakPolarHBondContact O-CD2 3.45Å; P105-V119 HydrophobicContact CG-CG1 3.67Å; P105-M144 HydrophobicContact CG-CE 4.29Å
106S95.8Very high93.5Very high9 Ų953.6 Ų53.66%0.06329%0.294CS..G310 helixtrans-68.4-3.4174.972.20000114.1N104 F108 R109 L113 L114N104-S106 PolarHBondContact ND2-OG 3.38Å; N104-S106 PolarHBondContact O-N 2.98Å; N104-S106 VanDerWaalsContact O-N 3.12Å; N104-S106 WeakPolarHBondContact OD1-CB 3.39Å; N104-S106 PolarHBondContact OD1-N 3.01Å; N104-S106 PolarHBondContact OD1-OG 2.59Å; S106-F108 PolarHBondContact O-N 2.79Å; S106-F108 VanDerWaalsContact O-N 3.11Å; S106-R109 VanDerWaalsContact O-CB 3.29Å; S106-R109 WeakPolarHBondContact O-CB 3.37Å; S106-R109 WeakPolarHBondContact O-CG 3.39Å; S106-R109 PolarHBondContact O-N 2.98Å; S106-L113 WeakPolarHBondContact OG-CA 3.45Å; S106-L114 PolarHBondContact OG-N 3.05Å
107I95Very high92.7Very high6 Ų654.6 Ų54.63%0.03130%0.301CS..G310 helixtrans-59.2-19.9173.3-163.3160.8000114I77 H80 I97 A100 A101 N104 P105 R109 L113I77-I107 HydrophobicContact CG2-CD1 3.93Å; H80-I107 WeakPolarHBondContact CB-O 3.44Å; I97-I107 HydrophobicContact CD1-CG2 3.37Å; A100-I107 HydrophobicContact CB-CD1 3.62Å; A101-I107 HydrophobicContact CB-CG2 4.42Å; N104-I107 WeakPolarHBondContact O-CB 3.46Å; N104-I107 WeakPolarHBondContact O-CG2 3.32Å; N104-I107 PolarHBondContact O-N 3.11Å; N104-I107 VanDerWaalsContact O-N 3.16Å; P105-I107 PolarHBondContact O-N 2.8Å; P105-I107 VanDerWaalsContact O-N 3.09Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 3.33Å; I107-L113 VanDerWaalsContact CA-CD2 3.48Å; I107-L113 HydrophobicContact CB-CD2 3.9Å; I107-L113 HydrophobicContact CG1-CD2 4.26Å
108F96.5Very high92.4Very high116 Ų11656 Ų5651%0.50931%0.313SS..G310 helixtrans-78.8-4.2173.7-63.7-69.7000113.8H80 I97 A101 P105 S106H80-F108 PolarHBondContact CD2-O 3.09Å; I97-F108 HydrophobicContact CD1-CD1 4Å; I97-F108 HydrophobicContact CD1-CE1 3.34Å; I97-F108 HydrophobicContact CD1-CE2 3.92Å; I97-F108 HydrophobicContact CD1-CZ 3.31Å; I97-F108 HydrophobicContact CG1-CE1 3.5Å; I97-F108 VanDerWaalsContact CG1-CE1 3.5Å; I97-F108 HydrophobicContact CG1-CE2 4.25Å; I97-F108 HydrophobicContact CG1-CZ 3.3Å; A101-F108 HydrophobicContact CB-CE2 3.82Å; A101-F108 HydrophobicContact CB-CZ 4.14Å; P105-F108 VanDerWaalsContact O-CD2 3.3Å; P105-F108 WeakPolarHBondContact O-CD2 3.45Å; S106-F108 PolarHBondContact O-N 2.79Å; S106-F108 VanDerWaalsContact O-N 3.11Å
109R96.9Very high92.3Very high86 Ų8654.6 Ų54.633%0.32530%0.296SS..  trans-83.7126.5-179.7-66177.867.9-134.58.8111H80 S106 I107 D111 G112H80-R109 WeakPolarHBondContact CB-O 3Å; S106-R109 VanDerWaalsContact O-CB 3.29Å; S106-R109 WeakPolarHBondContact O-CB 3.37Å; S106-R109 WeakPolarHBondContact O-CG 3.39Å; S106-R109 PolarHBondContact O-N 2.98Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 3.33Å; R109-D111 PolarHBondContact O-N 3.38Å; R109-G112 WeakPolarHBondContact CB-O 3.42Å; R109-G112 PolarHBondContact NH1-O 3.46Å; R109-G112 PolarHBondContact O-N 3.25Å
110P95.2Very high92Very high94 Ų9450.4 Ų50.461%0.6128%0.28SS*.THydrogen-bonded Turntrans-63.1-30.2173.226-33.4000112.4G112P110-G112 PolarHBondContact O-N 3.11Å
111D95Very high91.5Very high136 Ų13650.4 Ų50.473%0.72728%0.28SS*.THydrogen-bonded Turntrans-76.82.2-179-46.7-41.4000114.1R109R109-D111 PolarHBondContact O-N 3.38Å
112G93.9Very high91.3Very high29 Ų2952.4 Ų52.430%0.29929%0.291SS..  trans99.5174.7179.500000114.9R109 P110R109-G112 WeakPolarHBondContact CB-O 3.42Å; R109-G112 PolarHBondContact NH1-O 3.46Å; R109-G112 PolarHBondContact O-N 3.25Å; P110-G112 PolarHBondContact O-N 3.11Å
113L94.4Very high91.2Very high89 Ų8951.8 Ų51.847%0.46629%0.286SS..PPolyproline II helixtrans-68.4137.6-176.8-62.8177000110.9S106 I107S106-L113 WeakPolarHBondContact OG-CA 3.45Å; I107-L113 VanDerWaalsContact CA-CD2 3.48Å; I107-L113 HydrophobicContact CB-CD2 3.9Å; I107-L113 HydrophobicContact CG1-CD2 4.26Å
114L94.5Very high90.8Very high63 Ų6351.4 Ų51.433%0.3328%0.283SS..PPolyproline II helixtrans-73.9153.7163.6-69.8174.2000109.8N104 S106 V119N104-L114 PolarHBondContact ND2-O 3.02Å; S106-L114 PolarHBondContact OG-N 3.05Å; L114-V119 HydrophobicContact CB-CG2 3.56Å; L114-V119 HydrophobicContact CD1-CG2 4.27Å
115D89.4Confident90.2Very high87 Ų8752.5 Ų52.547%0.46529%0.288SS..PPolyproline II helixtrans-60.1156.2168.173.588.6000110.4D117 S118 V119D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 3Å; D115-D117 PolarHBondContact OD1-N 2.81Å; D115-D117 VanDerWaalsContact OD1-N 3.08Å; D115-S118 VanDerWaalsContact CG-OG 3.28Å; D115-S118 PolarHBondContact OD1-N 3.36Å; D115-S118 PolarHBondContact OD1-OG 3.02Å; D115-S118 WeakPolarHBondContact OD2-CB 3.47Å; D115-S118 PolarHBondContact OD2-OG 3.43Å; D115-V119 VanDerWaalsContact O-CG2 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.4Å; D115-V119 PolarHBondContact O-N 3.14Å
116F84.8Confident89.7Confident18 Ų1856.5 Ų56.58%0.07930%0.297CS..Hα-helixtrans-64-40.5-172.5177.4-112.7000113.2V119 V120 M144 Y145 R148F116-V119 PolarHBondContact O-N 3.06Å; F116-V120 HydrophobicContact CD1-CG2 4.24Å; F116-V120 HydrophobicContact CD2-CG2 3.97Å; F116-V120 HydrophobicContact CE1-CG2 3.79Å; F116-V120 HydrophobicContact CE2-CG2 3.58Å; F116-V120 HydrophobicContact CG-CG2 4.36Å; F116-V120 HydrophobicContact CZ-CG2 3.48Å; F116-V120 VanDerWaalsContact CZ-CG2 3.48Å; F116-V120 WeakPolarHBondContact O-CB 2.84Å; F116-V120 WeakPolarHBondContact O-CG2 2.92Å; F116-V120 PolarHBondContact O-N 3.4Å; F116-M144 HydrophobicContact CE2-CB 3.96Å; F116-Y145 HydrophobicContact CE1-CD1 4.08Å; F116-Y145 AromaticContact CE1-CE1 3.31Å; F116-Y145 HydrophobicContact CE1-CE1 3.31Å; F116-Y145 HydrophobicContact CE1-CE2 4.48Å; F116-Y145 AromaticContact CE1-CZ 3.51Å; F116-Y145 VanDerWaalsContact CE1-OH 3.31Å; F116-Y145 WeakPolarHBondContact CE1-OH 3.4Å; F116-Y145 AromaticContact CZ-CD1 3.69Å; F116-Y145 HydrophobicContact CZ-CD1 3.69Å; F116-Y145 HydrophobicContact CZ-CD2 4.36Å; F116-Y145 AromaticContact CZ-CE1 3.32Å; F116-Y145 HydrophobicContact CZ-CE1 3.32Å; F116-Y145 AromaticContact CZ-CE2 4Å; F116-Y145 HydrophobicContact CZ-CE2 4Å; F116-Y145 HydrophobicContact CZ-CG 4.18Å; F116-Y145 AromaticContact CZ-CZ 3.42Å; F116-Y145 VanDerWaalsContact CZ-CZ 3.42Å; F116-R148 VanDerWaalsContact CE2-NH1 3.31Å
117D81.1Confident88.8Confident92 Ų9256.4 Ų56.449%0.49230%0.297SS..Hα-helixtrans-70.4-39.9-172.7-63.1-27.4000109.7D115 V119 V120 A121D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 3Å; D115-D117 PolarHBondContact OD1-N 2.81Å; D115-D117 VanDerWaalsContact OD1-N 3.08Å; D117-V119 PolarHBondContact O-N 3.42Å; D117-V120 PolarHBondContact O-N 3.41Å; D117-A121 VanDerWaalsContact O-CB 3.26Å; D117-A121 WeakPolarHBondContact O-CB 3.05Å; D117-A121 PolarHBondContact O-N 3.07Å
118S88.2Confident87.6Confident50 Ų5057.8 Ų57.835%0.3531%0.305SS..Hα-helixtrans-58-45.3171.2-67.60000112.5D115 A121 T122D115-S118 VanDerWaalsContact CG-OG 3.28Å; D115-S118 PolarHBondContact OD1-N 3.36Å; D115-S118 PolarHBondContact OD1-OG 3.02Å; D115-S118 WeakPolarHBondContact OD2-CB 3.47Å; D115-S118 PolarHBondContact OD2-OG 3.43Å; S118-A121 PolarHBondContact O-N 3.18Å; S118-T122 PolarHBondContact O-N 2.91Å; S118-T122 PolarHBondContact O-OG1 3.07Å; S118-T122 VanDerWaalsContact O-OG1 3.11Å
119V91.1Very high86.3Confident10 Ų1058.8 Ų58.86%0.06131%0.306CS..Hα-helixtrans-65.6-43.7-179.9171.40000111.7N104 P105 L114 D115 F116 D117 T122 F123N104-V119 WeakPolarHBondContact OD1-CG2 3.27Å; P105-V119 HydrophobicContact CG-CG1 3.67Å; L114-V119 HydrophobicContact CB-CG2 3.56Å; L114-V119 HydrophobicContact CD1-CG2 4.27Å; D115-V119 VanDerWaalsContact O-CG2 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.4Å; D115-V119 PolarHBondContact O-N 3.14Å; F116-V119 PolarHBondContact O-N 3.06Å; D117-V119 PolarHBondContact O-N 3.42Å; V119-T122 PolarHBondContact O-N 3.26Å; V119-F123 WeakPolarHBondContact O-CB 3.36Å; V119-F123 PolarHBondContact O-N 2.95Å
120V86.3Confident85.2Confident2 Ų259 Ų591%0.01232%0.317CS..Hα-helixtrans-64.5-42.6176.51670000110.6F116 D117 F123 L124 L141 M144F116-V120 HydrophobicContact CD1-CG2 4.24Å; F116-V120 HydrophobicContact CD2-CG2 3.97Å; F116-V120 HydrophobicContact CE1-CG2 3.79Å; F116-V120 HydrophobicContact CE2-CG2 3.58Å; F116-V120 HydrophobicContact CG-CG2 4.36Å; F116-V120 HydrophobicContact CZ-CG2 3.48Å; F116-V120 VanDerWaalsContact CZ-CG2 3.48Å; F116-V120 WeakPolarHBondContact O-CB 2.84Å; F116-V120 WeakPolarHBondContact O-CG2 2.92Å; F116-V120 PolarHBondContact O-N 3.4Å; D117-V120 PolarHBondContact O-N 3.41Å; V120-F123 PolarHBondContact O-N 3.29Å; V120-L124 HydrophobicContact CG1-CD1 3.62Å; V120-L124 HydrophobicContact CG1-CG 4.32Å; V120-L124 WeakPolarHBondContact O-CB 3.46Å; V120-L124 VanDerWaalsContact O-CG 3.27Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 2.92Å; V120-L141 HydrophobicContact CB-CD2 4.45Å; V120-L141 HydrophobicContact CG1-CD2 3.84Å; V120-L141 HydrophobicContact CG2-CD2 4.04Å; V120-M144 HydrophobicContact CG2-SD 4.46Å
121A81.9Confident83.9Confident11 Ų1160.7 Ų60.79%0.09132%0.321CS..Hα-helixtrans-59-49.4176.600000111.9D117 S118 F123 L124 E125 M167D117-A121 VanDerWaalsContact O-CB 3.26Å; D117-A121 WeakPolarHBondContact O-CB 3.05Å; D117-A121 PolarHBondContact O-N 3.07Å; S118-A121 PolarHBondContact O-N 3.18Å; A121-F123 PolarHBondContact O-N 3.13Å; A121-L124 PolarHBondContact O-N 3.5Å; A121-E125 WeakPolarHBondContact O-CB 3.37Å; A121-E125 PolarHBondContact O-N 2.9Å; A121-M167 HydrophobicContact CB-CE 4.11Å; A121-M167 HydrophobicContact CB-SD 3.51Å; A121-M167 VanDerWaalsContact CB-SD 3.51Å
122T88.5Confident82.8Confident61 Ų6158 Ų5837%0.37430%0.304SS..Hα-helixtrans-63-42.2176.4-58.70000112.2S118 V119 L124 E125 Y126S118-T122 PolarHBondContact O-N 2.91Å; S118-T122 PolarHBondContact O-OG1 3.07Å; S118-T122 VanDerWaalsContact O-OG1 3.11Å; V119-T122 PolarHBondContact O-N 3.26Å; T122-L124 PolarHBondContact O-N 3.22Å; T122-E125 PolarHBondContact O-N 3.31Å; T122-Y126 HydrophobicContact CG2-CD2 3.77Å; T122-Y126 HydrophobicContact CG2-CE2 3.54Å; T122-Y126 VanDerWaalsContact O-CD2 3.22Å; T122-Y126 WeakPolarHBondContact O-CD2 3.27Å; T122-Y126 PolarHBondContact O-N 2.92Å
123F89.7Confident81.7Confident46 Ų4659.5 Ų59.520%0.20231%0.309CS..Hα-helixtrans-60.9-45.3176.9171.7-106.3000112V119 V120 A121 E125 Y126 A127 V137 V140 L141 M144V119-F123 WeakPolarHBondContact O-CB 3.36Å; V119-F123 PolarHBondContact O-N 2.95Å; V120-F123 PolarHBondContact O-N 3.29Å; A121-F123 PolarHBondContact O-N 3.13Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-Y126 PolarHBondContact O-N 3.39Å; F123-A127 WeakPolarHBondContact O-CB 3.49Å; F123-A127 PolarHBondContact O-N 3.35Å; F123-V137 HydrophobicContact CE1-CB 4.46Å; F123-V137 HydrophobicContact CE1-CG1 3.82Å; F123-V137 HydrophobicContact CZ-CG1 4.43Å; F123-V140 HydrophobicContact CD2-CG1 4.36Å; F123-V140 HydrophobicContact CE1-CB 4.06Å; F123-V140 HydrophobicContact CE1-CG1 3.96Å; F123-V140 HydrophobicContact CE2-CB 4.23Å; F123-V140 HydrophobicContact CE2-CG1 3.74Å; F123-V140 HydrophobicContact CZ-CB 3.57Å; F123-V140 HydrophobicContact CZ-CG1 3.5Å; F123-V140 HydrophobicContact CZ-CG2 4.11Å; F123-L141 HydrophobicContact CD1-CD2 3.82Å; F123-L141 HydrophobicContact CD1-CG 4.09Å; F123-L141 HydrophobicContact CE1-CD1 4.38Å; F123-L141 HydrophobicContact CE1-CD2 4.14Å; F123-L141 HydrophobicContact CE1-CG 3.88Å; F123-M144 HydrophobicContact CB-CE 4.22Å; F123-M144 HydrophobicContact CD1-CE 4.39Å; F123-M144 HydrophobicContact CD1-SD 4.48Å; F123-M144 HydrophobicContact CD2-CE 4.17Å; F123-M144 HydrophobicContact CG-CE 3.99Å
124L81.5Confident80.6Confident6 Ų660 Ų603%0.03132%0.315CS..Hα-helixtrans-66.7-35.4179.1-74.4171000112.2V120 A121 T122 A127 T128 V137 L141 M167 F171V120-L124 HydrophobicContact CG1-CD1 3.62Å; V120-L124 HydrophobicContact CG1-CG 4.32Å; V120-L124 WeakPolarHBondContact O-CB 3.46Å; V120-L124 VanDerWaalsContact O-CG 3.27Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 2.92Å; A121-L124 PolarHBondContact O-N 3.5Å; T122-L124 PolarHBondContact O-N 3.22Å; L124-A127 PolarHBondContact O-N 2.78Å; L124-T128 WeakPolarHBondContact O-CB 3.42Å; L124-T128 PolarHBondContact O-N 3.16Å; L124-T128 PolarHBondContact O-OG1 3.15Å; L124-V137 HydrophobicContact CD2-CG1 3.58Å; L124-L141 HydrophobicContact CD2-CD1 3.71Å; L124-L141 HydrophobicContact CG-CD1 4.4Å; L124-M167 HydrophobicContact CB-CE 3.99Å; L124-M167 HydrophobicContact CD1-CE 3.32Å; L124-M167 HydrophobicContact CG-CE 4.27Å; L124-F171 HydrophobicContact CB-CE1 4.01Å; L124-F171 HydrophobicContact CB-CE2 4.38Å; L124-F171 HydrophobicContact CB-CZ 3.63Å; L124-F171 HydrophobicContact CD1-CE2 3.82Å; L124-F171 HydrophobicContact CD1-CZ 3.56Å; L124-F171 HydrophobicContact CD2-CE1 4.16Å; L124-F171 HydrophobicContact CD2-CZ 3.56Å; L124-F171 HydrophobicContact CG-CE1 4.48Å; L124-F171 HydrophobicContact CG-CE2 4.46Å; L124-F171 HydrophobicContact CG-CZ 3.74Å
125E78.8Confident79.4Confident34 Ų3463.5 Ų63.516%0.15933%0.328CS..Hα-helixtrans-62.4-47.8172176.4169.8-178.400112.1A121 T122 F123 T128 R129 R170 I174A121-E125 WeakPolarHBondContact O-CB 3.37Å; A121-E125 PolarHBondContact O-N 2.9Å; T122-E125 PolarHBondContact O-N 3.31Å; F123-E125 VanDerWaalsContact C-N 3.32Å; E125-T128 PolarHBondContact O-N 3.27Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 VanDerWaalsContact O-CG 3.29Å; E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.33Å; E125-R129 IonicContact OE1-CZ 2.65Å; E125-R129 IonicContact OE1-NE 3.42Å; E125-R129 PolarHBondContact OE1-NE 3.08Å; E125-R129 IonicContact OE1-NH1 3.48Å; E125-R129 IonicContact OE1-NH2 3.92Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; E125-R170 IonicContact OE2-CZ 2.68Å; E125-R170 IonicContact OE2-NE 3.45Å; E125-R170 IonicContact OE2-NH2 3.77Å; E125-R170 PolarHBondContact OE2-NH2 3.37Å; E125-I174 HydrophobicContact CB-CD1 3.72Å; E125-I174 HydrophobicContact CG-CD1 3.7Å; E125-I174 HydrophobicContact CG-CG1 4.38Å
126Y84.5Confident78.8Confident142 Ų14262.1 Ų62.156%0.55732%0.322SS*.Hα-helixtrans-62.3-46.1174.5-80.5-65000112.2T122 F123 T128 R129 T130T122-Y126 HydrophobicContact CG2-CD2 3.77Å; T122-Y126 HydrophobicContact CG2-CE2 3.54Å; T122-Y126 VanDerWaalsContact O-CD2 3.22Å; T122-Y126 WeakPolarHBondContact O-CD2 3.27Å; T122-Y126 PolarHBondContact O-N 2.92Å; F123-Y126 PolarHBondContact O-N 3.39Å; Y126-T128 VanDerWaalsContact C-N 3.27Å; Y126-T128 PolarHBondContact O-N 3.32Å; Y126-R129 PolarHBondContact O-N 2.95Å; Y126-R129 VanDerWaalsContact O-N 3.17Å; Y126-T130 WeakPolarHBondContact O-CG2 3.32Å; Y126-T130 PolarHBondContact O-N 3.5Å; Y126-T130 PolarHBondContact O-OG1 3.01Å; Y126-T130 VanDerWaalsContact O-OG1 3.06Å
127A77.3Confident78.6Confident7 Ų761.8 Ų61.86%0.05832%0.322CS..Hα-helixtrans-58.8-39.1179.100000112.3F123 L124 D131 E132 V137F123-A127 WeakPolarHBondContact O-CB 3.49Å; F123-A127 PolarHBondContact O-N 3.35Å; L124-A127 PolarHBondContact O-N 2.78Å; A127-D131 PolarHBondContact O-N 3.4Å; A127-E132 HydrophobicContact CB-CB 4.03Å; A127-E132 WeakPolarHBondContact O-CB 3.47Å; A127-E132 PolarHBondContact O-N 3.37Å; A127-V137 HydrophobicContact CB-CG1 4.33Å; A127-V137 HydrophobicContact CB-CG2 3.63Å
128T70Confident78.4Confident35 Ų3559.9 Ų59.922%0.21531%0.31CS..Hα-helixtrans-70.1-43.3176.7-52.80000111L124 E125 Y126 T130 D131 I174L124-T128 WeakPolarHBondContact O-CB 3.42Å; L124-T128 PolarHBondContact O-N 3.16Å; L124-T128 PolarHBondContact O-OG1 3.15Å; E125-T128 PolarHBondContact O-N 3.27Å; Y126-T128 VanDerWaalsContact C-N 3.27Å; Y126-T128 PolarHBondContact O-N 3.32Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.77Å; T128-D131 PolarHBondContact O-N 2.65Å; T128-I174 HydrophobicContact CG2-CB 4.29Å; T128-I174 HydrophobicContact CG2-CG2 3.57Å
129R70.3Confident78Confident137 Ų13762.5 Ų62.552%0.51731%0.312SS..Hα-helixtrans-64.2-31.4178.4-74.1175177.4-164.71113.4E125 Y126 I174 V178E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 VanDerWaalsContact O-CG 3.29Å; E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.33Å; E125-R129 IonicContact OE1-CZ 2.65Å; E125-R129 IonicContact OE1-NE 3.42Å; E125-R129 PolarHBondContact OE1-NE 3.08Å; E125-R129 IonicContact OE1-NH1 3.48Å; E125-R129 IonicContact OE1-NH2 3.92Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; Y126-R129 PolarHBondContact O-N 2.95Å; Y126-R129 VanDerWaalsContact O-N 3.17Å; R129-I174 HydrophobicContact CG-CG2 4.22Å; R129-V178 HydrophobicContact CG-CG2 4.16Å
130T73.6Confident78Confident90 Ų9063.3 Ų63.355%0.55232%0.317SS*.THydrogen-bonded Turntrans-96.27.3179.862.30000113.6Y126 T128 E132Y126-T130 WeakPolarHBondContact O-CG2 3.32Å; Y126-T130 PolarHBondContact O-N 3.5Å; Y126-T130 PolarHBondContact O-OG1 3.01Å; Y126-T130 VanDerWaalsContact O-OG1 3.06Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.77Å; T130-E132 PolarHBondContact O-N 3.48Å
131D66.5Low77.9Confident130 Ų13063.2 Ų63.270%0.69532%0.317SS*.THydrogen-bonded Turntrans47.845-173.4-168.635000112.3A127 T128A127-D131 PolarHBondContact O-N 3.4Å; T128-D131 PolarHBondContact O-N 2.65Å
132E72.1Confident77.9Confident80 Ų8065.7 Ų65.737%0.37433%0.326SS..  trans-68.3138.9-175.7-171.557.2-142.900110.3A127 T130 V134 T136 V137A127-E132 HydrophobicContact CB-CB 4.03Å; A127-E132 WeakPolarHBondContact O-CB 3.47Å; A127-E132 PolarHBondContact O-N 3.37Å; T130-E132 PolarHBondContact O-N 3.48Å; E132-V134 PolarHBondContact O-N 3.14Å; E132-V134 VanDerWaalsContact O-N 3.15Å; E132-T136 HydrophobicContact CG-CG2 4.37Å; E132-T136 WeakPolarHBondContact OE1-CB 3.43Å; E132-T136 WeakPolarHBondContact OE1-CG2 3.36Å; E132-T136 PolarHBondContact OE1-OG1 3.33Å; E132-V137 HydrophobicContact CB-CG2 3.93Å; E132-V137 HydrophobicContact CG-CG2 3.86Å
133C72.3Confident77.8Confident60 Ų6067.3 Ų67.341%0.40533%0.326SS..  trans-56.5124.3-178176.30000111.2K135 T136 V137C133-K135 PolarHBondContact O-N 3.32Å; C133-T136 WeakPolarHBondContact O-CA 3.28Å; C133-T136 VanDerWaalsContact O-CB 3.31Å; C133-T136 WeakPolarHBondContact O-CB 3.22Å; C133-T136 PolarHBondContact O-N 3.13Å; C133-V137 PolarHBondContact O-N 2.87Å
134V69.6Low77.8Confident100 Ų10065.4 Ų65.461%0.60632%0.317SS*.Hα-helixtrans-50.8-32.1179.7179.80000112.9E132 K138E132-V134 PolarHBondContact O-N 3.14Å; E132-V134 VanDerWaalsContact O-N 3.15Å; V134-K138 WeakPolarHBondContact O-CB 3.25Å; V134-K138 PolarHBondContact O-N 2.91Å
135K70.2Confident77.7Confident135 Ų13565.1 Ų65.159%0.58732%0.316SS*.Hα-helixtrans-66.4-40.9175.2-67.1-173.3174.5-175.80112.3C133 Y139C133-K135 PolarHBondContact O-N 3.32Å; K135-Y139 WeakPolarHBondContact O-CB 3.37Å; K135-Y139 PolarHBondContact O-N 3.47Å
136T77.7Confident77.1Confident58 Ų5870.2 Ų70.236%0.35634%0.337SS..Hα-helixtrans-65.9-48.7175.1-52.90000110E132 C133 K138 Y139 V140E132-T136 HydrophobicContact CG-CG2 4.37Å; E132-T136 WeakPolarHBondContact OE1-CB 3.43Å; E132-T136 WeakPolarHBondContact OE1-CG2 3.36Å; E132-T136 PolarHBondContact OE1-OG1 3.33Å; C133-T136 WeakPolarHBondContact O-CA 3.28Å; C133-T136 VanDerWaalsContact O-CB 3.31Å; C133-T136 WeakPolarHBondContact O-CB 3.22Å; C133-T136 PolarHBondContact O-N 3.13Å; T136-K138 PolarHBondContact O-N 3.41Å; T136-Y139 WeakPolarHBondContact O-CB 3.5Å; T136-Y139 PolarHBondContact O-N 3.03Å; T136-Y139 VanDerWaalsContact O-N 3.11Å; T136-V140 HydrophobicContact CG2-CG2 4.44Å; T136-V140 WeakPolarHBondContact O-CG2 3.36Å; T136-V140 PolarHBondContact O-N 2.86Å
137V78.6Confident75.8Confident12 Ų1270.1 Ų70.17%0.07334%0.342CS..Hα-helixtrans-55.7-50.8177.5179.90000110.7F123 L124 A127 E132 C133 Y139 V140 L141F123-V137 HydrophobicContact CE1-CB 4.46Å; F123-V137 HydrophobicContact CE1-CG1 3.82Å; F123-V137 HydrophobicContact CZ-CG1 4.43Å; L124-V137 HydrophobicContact CD2-CG1 3.58Å; A127-V137 HydrophobicContact CB-CG1 4.33Å; A127-V137 HydrophobicContact CB-CG2 3.63Å; E132-V137 HydrophobicContact CB-CG2 3.93Å; E132-V137 HydrophobicContact CG-CG2 3.86Å; C133-V137 PolarHBondContact O-N 2.87Å; V137-Y139 VanDerWaalsContact C-N 3.33Å; V137-Y139 PolarHBondContact O-N 2.7Å; V137-V140 PolarHBondContact O-N 3.32Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 WeakPolarHBondContact O-CB 3.04Å; V137-L141 WeakPolarHBondContact O-CG 3.33Å; V137-L141 PolarHBondContact O-N 3.19Å
138K77.3Confident74.8Confident52 Ų5274 Ų7423%0.22636%0.355CS..Hα-helixtrans-57.2-44.7176.1-176.2177.5-178.91740112V134 T136 L141 Q142 V154 S158V134-K138 WeakPolarHBondContact O-CB 3.25Å; V134-K138 PolarHBondContact O-N 2.91Å; T136-K138 PolarHBondContact O-N 3.41Å; K138-L141 PolarHBondContact O-N 3.28Å; K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 2.94Å; K138-Q142 PolarHBondContact O-N 2.88Å; K138-V154 HydrophobicContact CD-CG1 4.42Å; K138-V154 HydrophobicContact CG-CG1 3.69Å; K138-S158 WeakPolarHBondContact CE-OG 3.5Å; K138-S158 PolarHBondContact NZ-OG 3.29Å
139Y81.4Confident74.1Confident105 Ų10579.6 Ų79.641%0.41238%0.384SS..Hα-helixtrans-64.5-44.5179.3173.3-97.1000112.4K135 T136 V137 L141 Q142 R143K135-Y139 WeakPolarHBondContact O-CB 3.37Å; K135-Y139 PolarHBondContact O-N 3.47Å; T136-Y139 WeakPolarHBondContact O-CB 3.5Å; T136-Y139 PolarHBondContact O-N 3.03Å; T136-Y139 VanDerWaalsContact O-N 3.11Å; V137-Y139 VanDerWaalsContact C-N 3.33Å; V137-Y139 PolarHBondContact O-N 2.7Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; Y139-Q142 WeakPolarHBondContact O-CB 3.4Å; Y139-Q142 PolarHBondContact O-N 3.49Å; Y139-R143 HydrophobicContact CD1-CG 4.44Å; Y139-R143 HydrophobicContact CE1-CG 4.04Å; Y139-R143 HydrophobicContact CE2-CG 4.34Å; Y139-R143 VanDerWaalsContact CZ-NE 3.31Å; Y139-R143 WeakPolarHBondContact O-CG 3.42Å; Y139-R143 PolarHBondContact O-N 3.3Å; Y139-R143 VanDerWaalsContact O-N 3.07Å; Y139-R143 VanDerWaalsContact OH-CZ 3.31Å; Y139-R143 PolarHBondContact OH-NE 2.72Å; Y139-R143 PolarHBondContact OH-NH2 3.47Å
140V89.1Confident73.4Confident26 Ų2677.3 Ų77.316%0.15838%0.378CS..Hα-helixtrans-63-45.2178173.60000110F123 T136 V137 Q142 R143 M144F123-V140 HydrophobicContact CD2-CG1 4.36Å; F123-V140 HydrophobicContact CE1-CB 4.06Å; F123-V140 HydrophobicContact CE1-CG1 3.96Å; F123-V140 HydrophobicContact CE2-CB 4.23Å; F123-V140 HydrophobicContact CE2-CG1 3.74Å; F123-V140 HydrophobicContact CZ-CB 3.57Å; F123-V140 HydrophobicContact CZ-CG1 3.5Å; F123-V140 HydrophobicContact CZ-CG2 4.11Å; T136-V140 HydrophobicContact CG2-CG2 4.44Å; T136-V140 WeakPolarHBondContact O-CG2 3.36Å; T136-V140 PolarHBondContact O-N 2.86Å; V137-V140 PolarHBondContact O-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.37Å; V140-R143 WeakPolarHBondContact O-CA 3.32Å; V140-R143 WeakPolarHBondContact O-CB 3.49Å; V140-R143 PolarHBondContact O-N 3.34Å; V140-M144 HydrophobicContact CG1-CE 3.63Å; V140-M144 HydrophobicContact CG1-CG 4.41Å; V140-M144 HydrophobicContact CG1-SD 4.14Å; V140-M144 WeakPolarHBondContact O-CG 3.33Å; V140-M144 PolarHBondContact O-N 2.87Å
141L85.4Confident72.4Confident0 Ų077.1 Ų77.10%037%0.373CS..Hα-helixtrans-59.6-45.1175.4-69.3168.2000111.3V120 F123 L124 V137 K138 Y139 R143 M144 Y145 I157V120-L141 HydrophobicContact CB-CD2 4.45Å; V120-L141 HydrophobicContact CG1-CD2 3.84Å; V120-L141 HydrophobicContact CG2-CD2 4.04Å; F123-L141 HydrophobicContact CD1-CD2 3.82Å; F123-L141 HydrophobicContact CD1-CG 4.09Å; F123-L141 HydrophobicContact CE1-CD1 4.38Å; F123-L141 HydrophobicContact CE1-CD2 4.14Å; F123-L141 HydrophobicContact CE1-CG 3.88Å; L124-L141 HydrophobicContact CD2-CD1 3.71Å; L124-L141 HydrophobicContact CG-CD1 4.4Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 WeakPolarHBondContact O-CB 3.04Å; V137-L141 WeakPolarHBondContact O-CG 3.33Å; V137-L141 PolarHBondContact O-N 3.19Å; K138-L141 PolarHBondContact O-N 3.28Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 2.96Å; L141-M144 HydrophobicContact CD2-SD 3.98Å; L141-M144 CarbonylContact O-C 3.58Å; L141-M144 WeakPolarHBondContact O-CB 3.29Å; L141-M144 PolarHBondContact O-N 3.3Å; L141-M144 VanDerWaalsContact O-N 3.07Å; L141-Y145 HydrophobicContact CB-CD2 4.25Å; L141-Y145 HydrophobicContact CB-CE2 4.22Å; L141-Y145 WeakPolarHBondContact O-CB 3.43Å; L141-Y145 WeakPolarHBondContact O-CD2 3.14Å; L141-Y145 PolarHBondContact O-N 3.42Å; L141-I157 HydrophobicContact CB-CD1 4.29Å; L141-I157 HydrophobicContact CD1-CD1 3.28Å; L141-I157 HydrophobicContact CG-CD1 4.39Å
142Q81.8Confident71.6Confident64 Ų6479.2 Ų79.230%0.29937%0.371SS..Hα-helixtrans-53.7-38173.4-76.4173.6-23.400113K138 Y139 V140 Y145 K146 V154K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 2.94Å; K138-Q142 PolarHBondContact O-N 2.88Å; Y139-Q142 WeakPolarHBondContact O-CB 3.4Å; Y139-Q142 PolarHBondContact O-N 3.49Å; V140-Q142 PolarHBondContact O-N 3.37Å; Q142-Y145 PolarHBondContact O-N 3Å; Q142-K146 PolarHBondContact O-N 2.81Å; Q142-V154 HydrophobicContact CG-CB 4.06Å; Q142-V154 HydrophobicContact CG-CG1 3.23Å; Q142-V154 HydrophobicContact CG-CG2 3.85Å
143R87.4Confident70.6Confident94 Ų9476.4 Ų76.436%0.35536%0.359SS..Hα-helixtrans-72.9-39.3178.4-65.8-67.2-171.6170.91.9111.8I102 Y139 V140 L141 Y145 K146I102-R143 HydrophobicContact CD1-CB 3.58Å; I102-R143 HydrophobicContact CD1-CG 3.71Å; I102-R143 HydrophobicContact CG1-CB 3.72Å; I102-R143 HydrophobicContact CG1-CG 4.42Å; I102-R143 HydrophobicContact CG2-CB 4.22Å; Y139-R143 HydrophobicContact CD1-CG 4.44Å; Y139-R143 HydrophobicContact CE1-CG 4.04Å; Y139-R143 HydrophobicContact CE2-CG 4.34Å; Y139-R143 VanDerWaalsContact CZ-NE 3.31Å; Y139-R143 WeakPolarHBondContact O-CG 3.42Å; Y139-R143 PolarHBondContact O-N 3.3Å; Y139-R143 VanDerWaalsContact O-N 3.07Å; Y139-R143 VanDerWaalsContact OH-CZ 3.31Å; Y139-R143 PolarHBondContact OH-NE 2.72Å; Y139-R143 PolarHBondContact OH-NH2 3.47Å; V140-R143 WeakPolarHBondContact O-CA 3.32Å; V140-R143 WeakPolarHBondContact O-CB 3.49Å; V140-R143 PolarHBondContact O-N 3.34Å; L141-R143 PolarHBondContact O-N 2.96Å; R143-Y145 VanDerWaalsContact C-N 3.25Å; R143-Y145 PolarHBondContact O-N 3.35Å; R143-K146 PolarHBondContact O-N 3.47Å
144M88Confident69.6Low6 Ų673.6 Ų73.63%0.0334%0.34CS..Hα-helixtrans-62.5-33.1170.7-63.8173168.400112.1I102 P105 F116 V120 F123 V140 L141I102-M144 WeakPolarHBondContact O-CG 3.34Å; P105-M144 HydrophobicContact CG-CE 4.29Å; F116-M144 HydrophobicContact CE2-CB 3.96Å; V120-M144 HydrophobicContact CG2-SD 4.46Å; F123-M144 HydrophobicContact CB-CE 4.22Å; F123-M144 HydrophobicContact CD1-CE 4.39Å; F123-M144 HydrophobicContact CD1-SD 4.48Å; F123-M144 HydrophobicContact CD2-CE 4.17Å; F123-M144 HydrophobicContact CG-CE 3.99Å; V140-M144 HydrophobicContact CG1-CE 3.63Å; V140-M144 HydrophobicContact CG1-CG 4.41Å; V140-M144 HydrophobicContact CG1-SD 4.14Å; V140-M144 WeakPolarHBondContact O-CG 3.33Å; V140-M144 PolarHBondContact O-N 2.87Å; L141-M144 HydrophobicContact CD2-SD 3.98Å; L141-M144 CarbonylContact O-C 3.58Å; L141-M144 WeakPolarHBondContact O-CB 3.29Å; L141-M144 PolarHBondContact O-N 3.3Å; L141-M144 VanDerWaalsContact O-N 3.07Å
145Y80.8Confident68.6Low0 Ų075.1 Ų75.10%034%0.338CS..Hα-helixtrans-81-23.4178.9-84.1-64.3000115.2F116 L141 Q142 R143 E147 R148 K150 L153 V154 F165F116-Y145 HydrophobicContact CE1-CD1 4.08Å; F116-Y145 AromaticContact CE1-CE1 3.31Å; F116-Y145 HydrophobicContact CE1-CE1 3.31Å; F116-Y145 HydrophobicContact CE1-CE2 4.48Å; F116-Y145 AromaticContact CE1-CZ 3.51Å; F116-Y145 VanDerWaalsContact CE1-OH 3.31Å; F116-Y145 WeakPolarHBondContact CE1-OH 3.4Å; F116-Y145 AromaticContact CZ-CD1 3.69Å; F116-Y145 HydrophobicContact CZ-CD1 3.69Å; F116-Y145 HydrophobicContact CZ-CD2 4.36Å; F116-Y145 AromaticContact CZ-CE1 3.32Å; F116-Y145 HydrophobicContact CZ-CE1 3.32Å; F116-Y145 AromaticContact CZ-CE2 4Å; F116-Y145 HydrophobicContact CZ-CE2 4Å; F116-Y145 HydrophobicContact CZ-CG 4.18Å; F116-Y145 AromaticContact CZ-CZ 3.42Å; F116-Y145 VanDerWaalsContact CZ-CZ 3.42Å; L141-Y145 HydrophobicContact CB-CD2 4.25Å; L141-Y145 HydrophobicContact CB-CE2 4.22Å; L141-Y145 WeakPolarHBondContact O-CB 3.43Å; L141-Y145 WeakPolarHBondContact O-CD2 3.14Å; L141-Y145 PolarHBondContact O-N 3.42Å; Q142-Y145 PolarHBondContact O-N 3Å; R143-Y145 VanDerWaalsContact C-N 3.25Å; R143-Y145 PolarHBondContact O-N 3.35Å; Y145-E147 PolarHBondContact O-N 2.79Å; Y145-R148 PolarHBondContact O-N 3.33Å; Y145-K150 HydrophobicContact CD1-CB 3.61Å; Y145-K150 HydrophobicContact CE1-CB 3.73Å; Y145-K150 HydrophobicContact CE1-CD 4.34Å; Y145-L153 HydrophobicContact CE1-CB 4.32Å; Y145-L153 HydrophobicContact CE1-CD1 3.85Å; Y145-V154 HydrophobicContact CD2-CG2 3.35Å; Y145-V154 HydrophobicContact CE2-CG2 3.99Å; Y145-V154 HydrophobicContact CG-CG2 3.98Å; Y145-F165 HydrophobicContact CE2-CZ 4.38Å; Y145-F165 AromaticContact CZ-CZ 3.88Å; Y145-F165 WeakPolarHBondContact OH-CE1 3.22Å; Y145-F165 WeakPolarHBondContact OH-CZ 3.45Å
146K65.3Low67.5Low141 Ų14169.3 Ų69.361%0.61332%0.316SS*.THydrogen-bonded Turntrans-58-26.7-168.1-170.6175.5177.1-177.90113Q142 R143Q142-K146 PolarHBondContact O-N 2.81Å; R143-K146 PolarHBondContact O-N 3.47Å
147E56.8Low66.2Low141 Ų14168.9 Ų68.966%0.65931%0.311SS*.THydrogen-bonded Turntrans-87.7-10.6176.7-66.7-178-158.100113.7T103 Y145T103-E147 HydrophobicContact CG2-CB 4.33Å; T103-E147 VanDerWaalsContact CG2-CD 3.43Å; T103-E147 HydrophobicContact CG2-CG 4.16Å; T103-E147 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E147 PolarHBondContact OG1-OE1 2.87Å; Y145-E147 PolarHBondContact O-N 2.79Å
148R57.8Low64.5Low87 Ų8771.3 Ų71.333%0.32833%0.328SS..THydrogen-bonded Turntrans-113.49.6-168-65.5-170.1170.5105.1-11.2115.2F116 Y145 K150F116-R148 VanDerWaalsContact CE2-NH1 3.31Å; Y145-R148 PolarHBondContact O-N 3.33Å; R148-K150 WeakPolarHBondContact O-CG 3.33Å; R148-K150 PolarHBondContact O-N 2.99Å
149N55.2Low63Low153 Ų15375.2 Ų75.282%0.81835%0.345SS*.THydrogen-bonded Turntrans51.615.3178.4-77.9-23000116.2L151N149-L151 PolarHBondContact O-N 2.93Å
150K54.3Low61.2Low90 Ų9075.2 Ų75.239%0.39136%0.358SS..  trans-99.735.6-179.2-70.6175.1176.2-169.90112.5Y145 R148 W152 L153Y145-K150 HydrophobicContact CD1-CB 3.61Å; Y145-K150 HydrophobicContact CE1-CB 3.73Å; Y145-K150 HydrophobicContact CE1-CD 4.34Å; R148-K150 WeakPolarHBondContact O-CG 3.33Å; R148-K150 PolarHBondContact O-N 2.99Å; K150-W152 PolarHBondContact O-N 2.94Å; K150-W152 VanDerWaalsContact O-N 3.11Å; K150-L153 HydrophobicContact CB-CD1 3.78Å; K150-L153 HydrophobicContact CB-CG 4.37Å; K150-L153 HydrophobicContact CD-CD1 3.82Å; K150-L153 HydrophobicContact CG-CD1 4.16Å; K150-L153 WeakPolarHBondContact O-CB 3.24Å; K150-L153 PolarHBondContact O-N 3.4Å
151L52.7Low58.9Low86 Ų8681.1 Ų81.145%0.4539%0.389SS..Hα-helixtrans-56.4-29.2-178.5-108.1133.3000113.1N149 L153 V154 F155N149-L151 PolarHBondContact O-N 2.93Å; L151-L153 VanDerWaalsContact C-N 3.26Å; L151-L153 PolarHBondContact O-N 2.73Å; L151-V154 WeakPolarHBondContact O-CB 3.22Å; L151-V154 PolarHBondContact O-N 3.06Å; L151-V154 VanDerWaalsContact O-N 3.13Å; L151-F155 WeakPolarHBondContact O-CD2 3.47Å
152W50.8Low56.8Low174 Ų17485.4 Ų85.466%0.65941%0.412SS*.Hα-helixtrans-60.1-33.2177.671.7-94.6000112.9K150 V154 F155K150-W152 PolarHBondContact O-N 2.94Å; K150-W152 VanDerWaalsContact O-N 3.11Å; W152-V154 VanDerWaalsContact C-N 3.26Å; W152-V154 PolarHBondContact O-N 3.17Å; W152-F155 WeakPolarHBondContact O-CB 3.35Å; W152-F155 PolarHBondContact O-N 3.32Å; W152-F155 VanDerWaalsContact O-N 3.14Å
153L50.5Low55.1Low20 Ų2087.1 Ų87.111%0.10543%0.431CS..Hα-helixtrans-63.3-34.1177.2-68.6170.8000111.6Y145 K150 L151 F155 A156 L164 F165Y145-L153 HydrophobicContact CE1-CB 4.32Å; Y145-L153 HydrophobicContact CE1-CD1 3.85Å; K150-L153 HydrophobicContact CB-CD1 3.78Å; K150-L153 HydrophobicContact CB-CG 4.37Å; K150-L153 HydrophobicContact CD-CD1 3.82Å; K150-L153 HydrophobicContact CG-CD1 4.16Å; K150-L153 WeakPolarHBondContact O-CB 3.24Å; K150-L153 PolarHBondContact O-N 3.4Å; L151-L153 VanDerWaalsContact C-N 3.26Å; L151-L153 PolarHBondContact O-N 2.73Å; L153-F155 VanDerWaalsContact C-N 3.26Å; L153-F155 PolarHBondContact O-N 2.87Å; L153-A156 PolarHBondContact O-N 3.33Å; L153-L164 HydrophobicContact CB-CD1 4.19Å; L153-L164 HydrophobicContact CD2-CD1 3.44Å; L153-L164 VanDerWaalsContact CD2-CD1 3.44Å; L153-L164 HydrophobicContact CG-CD1 4.44Å; L153-L164 WeakPolarHBondContact O-CD2 3.29Å; L153-F165 HydrophobicContact CB-CZ 4.11Å; L153-F165 HydrophobicContact CD1-CE1 3.98Å; L153-F165 HydrophobicContact CD1-CZ 4.4Å; L153-F165 HydrophobicContact CD2-CE1 4.47Å
154V51.6Low53.2Low1 Ų183.6 Ų83.61%0.00642%0.419CS..Hα-helixtrans-64-34.1178-176.90000111.8K138 Q142 Y145 L151 W152 A156 I157K138-V154 HydrophobicContact CD-CG1 4.42Å; K138-V154 HydrophobicContact CG-CG1 3.69Å; Q142-V154 HydrophobicContact CG-CB 4.06Å; Q142-V154 HydrophobicContact CG-CG1 3.23Å; Q142-V154 HydrophobicContact CG-CG2 3.85Å; Y145-V154 HydrophobicContact CD2-CG2 3.35Å; Y145-V154 HydrophobicContact CE2-CG2 3.99Å; Y145-V154 HydrophobicContact CG-CG2 3.98Å; L151-V154 WeakPolarHBondContact O-CB 3.22Å; L151-V154 PolarHBondContact O-N 3.06Å; L151-V154 VanDerWaalsContact O-N 3.13Å; W152-V154 VanDerWaalsContact C-N 3.26Å; W152-V154 PolarHBondContact O-N 3.17Å; V154-A156 PolarHBondContact O-N 2.93Å; V154-I157 PolarHBondContact O-N 2.81Å
155F47.2Very low51.4Low132 Ų13286.2 Ų86.258%0.57943%0.43SS*.Hα-helixtrans-65.5-33.1179.1-72.2-80.8000111.8L151 W152 L153 I157 S158L151-F155 WeakPolarHBondContact O-CD2 3.47Å; W152-F155 WeakPolarHBondContact O-CB 3.35Å; W152-F155 PolarHBondContact O-N 3.32Å; W152-F155 VanDerWaalsContact O-N 3.14Å; L153-F155 VanDerWaalsContact C-N 3.26Å; L153-F155 PolarHBondContact O-N 2.87Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.14Å; F155-S158 WeakPolarHBondContact O-CB 3.39Å; F155-S158 PolarHBondContact O-N 3.43Å; F155-S158 VanDerWaalsContact O-N 3.14Å
156A47.4Very low50Low14 Ų1489 Ų8912%0.11646%0.459CS..Hα-helixtrans-69.8-24.8178.100000113.3L153 V154 S158 K159 D162 L164L153-A156 PolarHBondContact O-N 3.33Å; V154-A156 PolarHBondContact O-N 2.93Å; A156-S158 PolarHBondContact O-N 3.04Å; A156-K159 PolarHBondContact O-N 3.41Å; A156-D162 HydrophobicContact CB-CB 4.4Å; A156-L164 HydrophobicContact CB-CB 4.21Å; A156-L164 HydrophobicContact CB-CD1 3.31Å; A156-L164 HydrophobicContact CB-CD2 3.76Å; A156-L164 HydrophobicContact CB-CG 3.92Å
157I50.3Low49.4Very low48 Ų4883.4 Ų83.425%0.24644%0.435CS..THydrogen-bonded Turntrans-61.1-22172.3-55.9176.4000111.3L141 V154 F155 L164L141-I157 HydrophobicContact CB-CD1 4.29Å; L141-I157 HydrophobicContact CD1-CD1 3.28Å; L141-I157 HydrophobicContact CG-CD1 4.39Å; V154-I157 PolarHBondContact O-N 2.81Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.14Å; I157-L164 HydrophobicContact CB-CD2 4.29Å; I157-L164 HydrophobicContact CD1-CD2 4.24Å; I157-L164 HydrophobicContact CG1-CD2 3.25Å
158S43.6Very low49.4Very low64 Ų6480.5 Ų80.545%0.44842%0.422SS..THydrogen-bonded Turntrans-90.8-2.5177.9-51.60000113.8K138 F155 A156K138-S158 WeakPolarHBondContact CE-OG 3.5Å; K138-S158 PolarHBondContact NZ-OG 3.29Å; F155-S158 WeakPolarHBondContact O-CB 3.39Å; F155-S158 PolarHBondContact O-N 3.43Å; F155-S158 VanDerWaalsContact O-N 3.14Å; A156-S158 PolarHBondContact O-N 3.04Å
159K45.3Very low49.5Very low134 Ų13483.5 Ų83.558%0.58344%0.437SS*.  trans-114.9116.5176.6-71.1-163.2176.1-1740108.8A156 N161A156-K159 PolarHBondContact O-N 3.41Å; K159-N161 PolarHBondContact O-N 3.11Å
160P43.3Very low49.4Very low105 Ų10581.3 Ų81.368%0.68242%0.418SS*.THydrogen-bonded Turntrans-61.6-13.9-176.2-20.830.3000115.5
161N41.7Very low49.4Very low150 Ų15079.9 Ų79.980%0.80241%0.412SS*.THydrogen-bonded Turntrans-115.2-0.8-163.7-69.10.7000114.9K159K159-N161 PolarHBondContact O-N 3.11Å
162D40.3Very low49.6Very low89 Ų8979.6 Ų79.648%0.47641%0.408SS..SBendtrans-102.5128.5-179.7-70.7-32.2000109.8A156 L164A156-D162 HydrophobicContact CB-CB 4.4Å; D162-L164 PolarHBondContact O-N 3.01Å
163S47.3Very low50Low100 Ų10076.3 Ų76.370%0.69940%0.4SS*.  trans-62.963.5-17062.30000114.4F165 E168S163-F165 PolarHBondContact O-N 3.02Å; S163-E168 WeakPolarHBondContact CA-OE1 3.43Å
164L46.8Very low50Low21 Ų2176 Ų7611%0.1140%0.398CS..  trans-82.2110.1-171-154.972.2000112L153 A156 I157 D162 E168L153-L164 HydrophobicContact CB-CD1 4.19Å; L153-L164 HydrophobicContact CD2-CD1 3.44Å; L153-L164 VanDerWaalsContact CD2-CD1 3.44Å; L153-L164 HydrophobicContact CG-CD1 4.44Å; L153-L164 WeakPolarHBondContact O-CD2 3.29Å; A156-L164 HydrophobicContact CB-CB 4.21Å; A156-L164 HydrophobicContact CB-CD1 3.31Å; A156-L164 HydrophobicContact CB-CD2 3.76Å; A156-L164 HydrophobicContact CB-CG 3.92Å; I157-L164 HydrophobicContact CB-CD2 4.29Å; I157-L164 HydrophobicContact CD1-CD2 4.24Å; I157-L164 HydrophobicContact CG1-CD2 3.25Å; D162-L164 PolarHBondContact O-N 3.01Å; L164-E168 PolarHBondContact N-OE1 3.38Å
165F50.5Low50.1Low60 Ų6080.2 Ų80.226%0.26341%0.414SS..THydrogen-bonded Turntrans79.11.4179.2-50-70.2000116.3Y145 L153 S163 M167Y145-F165 HydrophobicContact CE2-CZ 4.38Å; Y145-F165 AromaticContact CZ-CZ 3.88Å; Y145-F165 WeakPolarHBondContact OH-CE1 3.22Å; Y145-F165 WeakPolarHBondContact OH-CZ 3.45Å; L153-F165 HydrophobicContact CB-CZ 4.11Å; L153-F165 HydrophobicContact CD1-CE1 3.98Å; L153-F165 HydrophobicContact CD1-CZ 4.4Å; L153-F165 HydrophobicContact CD2-CE1 4.47Å; S163-F165 PolarHBondContact O-N 3.02Å; F165-M167 HydrophobicContact CB-CB 4.05Å; F165-M167 HydrophobicContact CB-CG 3.73Å; F165-M167 PolarHBondContact O-N 2.87Å; F165-M167 VanDerWaalsContact O-N 3.13Å
166G50.7Low50.4Low59 Ų5977.2 Ų77.261%0.60840%0.404SS*.THydrogen-bonded Turntrans60.619-169.400000111.8E168G166-E168 VanDerWaalsContact CA-OE2 3.25Å; G166-E168 WeakPolarHBondContact CA-OE2 3.38Å
167M53.7Low50.6Low23 Ų2379.7 Ų79.711%0.11342%0.421CS..  trans-98.74.9-177.8-73.5-134.8-55.800111.7A121 L124 F165 K169 R170 F171A121-M167 HydrophobicContact CB-CE 4.11Å; A121-M167 HydrophobicContact CB-SD 3.51Å; A121-M167 VanDerWaalsContact CB-SD 3.51Å; L124-M167 HydrophobicContact CB-CE 3.99Å; L124-M167 HydrophobicContact CD1-CE 3.32Å; L124-M167 HydrophobicContact CG-CE 4.27Å; F165-M167 HydrophobicContact CB-CB 4.05Å; F165-M167 HydrophobicContact CB-CG 3.73Å; F165-M167 PolarHBondContact O-N 2.87Å; F165-M167 VanDerWaalsContact O-N 3.13Å; M167-K169 PolarHBondContact O-N 3.02Å; M167-R170 CarbonylContact O-C 3.48Å; M167-R170 PolarHBondContact O-N 3.15Å; M167-F171 HydrophobicContact CB-CD2 3.97Å; M167-F171 HydrophobicContact CB-CE2 4.26Å; M167-F171 HydrophobicContact CE-CD2 4.46Å; M167-F171 HydrophobicContact CE-CE2 3.94Å; M167-F171 WeakPolarHBondContact O-CB 3.31Å; M167-F171 WeakPolarHBondContact O-CD2 3.38Å; M167-F171 PolarHBondContact O-N 3.28Å
168E55.6Low50.4Low80 Ų8081 Ų8137%0.37443%0.43SS..Hα-helixtrans-55.5-46178.8-52.272.1-153.900109.3S163 L164 G166 R170 F171 E172S163-E168 WeakPolarHBondContact CA-OE1 3.43Å; L164-E168 PolarHBondContact N-OE1 3.38Å; G166-E168 VanDerWaalsContact CA-OE2 3.25Å; G166-E168 WeakPolarHBondContact CA-OE2 3.38Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 3.42Å; E168-F171 PolarHBondContact O-N 2.84Å; E168-E172 VanDerWaalsContact O-CB 3.24Å; E168-E172 WeakPolarHBondContact O-CB 3.45Å; E168-E172 PolarHBondContact O-N 3.42Å
169K60.1Low50.8Low151 Ų15179.9 Ų79.966%0.65742%0.421SS*.Hα-helixtrans-59.5-44.5175.9-166.2-176.2-179.2-171.50111.7M167 E172 E173M167-K169 PolarHBondContact O-N 3.02Å; K169-E172 PolarHBondContact O-N 3.47Å; K169-E173 VanDerWaalsContact CE-OE1 3.22Å; K169-E173 WeakPolarHBondContact CE-OE1 3.15Å; K169-E173 IonicContact NZ-OE1 2.75Å; K169-E173 WeakPolarHBondContact O-CB 3.44Å; K169-E173 WeakPolarHBondContact O-CG 3.48Å; K169-E173 PolarHBondContact O-N 2.78Å
170R54.4Low50.9Low107 Ų10781.4 Ų81.440%0.40443%0.428SS..Hα-helixtrans-69.7-39.1-180-172.8168.2179.4154.5-1.3112.1E125 M167 E168 E172 E173 I174E125-R170 IonicContact OE2-CZ 2.68Å; E125-R170 IonicContact OE2-NE 3.45Å; E125-R170 IonicContact OE2-NH2 3.77Å; E125-R170 PolarHBondContact OE2-NH2 3.37Å; M167-R170 CarbonylContact O-C 3.48Å; M167-R170 PolarHBondContact O-N 3.15Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 3.42Å; R170-E172 VanDerWaalsContact C-N 3.33Å; R170-E173 PolarHBondContact O-N 2.76Å; R170-I174 HydrophobicContact CG-CD1 3.81Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CB 3.36Å; R170-I174 WeakPolarHBondContact O-CD1 3.42Å; R170-I174 WeakPolarHBondContact O-CG1 3.18Å; R170-I174 PolarHBondContact O-N 3.42Å
171F54.2Low51.2Low60 Ų6085.2 Ų85.226%0.26343%0.428SS..Hα-helixtrans-62-44172.3-92.2-70.7000111.1L124 M167 E168 I174 R175L124-F171 HydrophobicContact CB-CE1 4.01Å; L124-F171 HydrophobicContact CB-CE2 4.38Å; L124-F171 HydrophobicContact CB-CZ 3.63Å; L124-F171 HydrophobicContact CD1-CE2 3.82Å; L124-F171 HydrophobicContact CD1-CZ 3.56Å; L124-F171 HydrophobicContact CD2-CE1 4.16Å; L124-F171 HydrophobicContact CD2-CZ 3.56Å; L124-F171 HydrophobicContact CG-CE1 4.48Å; L124-F171 HydrophobicContact CG-CE2 4.46Å; L124-F171 HydrophobicContact CG-CZ 3.74Å; M167-F171 HydrophobicContact CB-CD2 3.97Å; M167-F171 HydrophobicContact CB-CE2 4.26Å; M167-F171 HydrophobicContact CE-CD2 4.46Å; M167-F171 HydrophobicContact CE-CE2 3.94Å; M167-F171 WeakPolarHBondContact O-CB 3.31Å; M167-F171 WeakPolarHBondContact O-CD2 3.38Å; M167-F171 PolarHBondContact O-N 3.28Å; E168-F171 PolarHBondContact O-N 2.84Å; F171-I174 PolarHBondContact O-N 3.28Å; F171-R175 WeakPolarHBondContact O-CB 3.46Å; F171-R175 PolarHBondContact O-N 3.26Å
172E55.8Low51.8Low80 Ų8080.9 Ų80.937%0.37441%0.408SS..Hα-helixtrans-68.2-41.1178.7-160.359.4-158.500110.9E168 K169 R170 R175 N176E168-E172 VanDerWaalsContact O-CB 3.24Å; E168-E172 WeakPolarHBondContact O-CB 3.45Å; E168-E172 PolarHBondContact O-N 3.42Å; K169-E172 PolarHBondContact O-N 3.47Å; R170-E172 VanDerWaalsContact C-N 3.33Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 IonicContact OE2-NH1 2.63Å; E172-R175 PolarHBondContact OE2-NH1 3.45Å; E172-N176 WeakPolarHBondContact O-CB 3.47Å; E172-N176 PolarHBondContact O-N 3.08Å; E172-N176 PolarHBondContact O-ND2 3.09Å
173E58.9Low52.6Low104 Ų10477.6 Ų77.649%0.48639%0.391SS..Hα-helixtrans-60.1-46.5172-77168.3-174.800112K169 R170 N176 S177K169-E173 VanDerWaalsContact CE-OE1 3.22Å; K169-E173 WeakPolarHBondContact CE-OE1 3.15Å; K169-E173 IonicContact NZ-OE1 2.75Å; K169-E173 WeakPolarHBondContact O-CB 3.44Å; K169-E173 WeakPolarHBondContact O-CG 3.48Å; K169-E173 PolarHBondContact O-N 2.78Å; R170-E173 PolarHBondContact O-N 2.76Å; E173-N176 PolarHBondContact O-N 3.26Å; E173-S177 VanDerWaalsContact O-CB 3.31Å; E173-S177 WeakPolarHBondContact O-CB 3.45Å; E173-S177 PolarHBondContact O-N 2.75Å
174I52.2Low53Low15 Ų1574 Ų748%0.07737%0.367CS..Hα-helixtrans-66.8-45.9178.4-65.6160.2000109.7E125 T128 R129 R170 F171 N176 S177 V178E125-I174 HydrophobicContact CB-CD1 3.72Å; E125-I174 HydrophobicContact CG-CD1 3.7Å; E125-I174 HydrophobicContact CG-CG1 4.38Å; T128-I174 HydrophobicContact CG2-CB 4.29Å; T128-I174 HydrophobicContact CG2-CG2 3.57Å; R129-I174 HydrophobicContact CG-CG2 4.22Å; R170-I174 HydrophobicContact CG-CD1 3.81Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CB 3.36Å; R170-I174 WeakPolarHBondContact O-CD1 3.42Å; R170-I174 WeakPolarHBondContact O-CG1 3.18Å; R170-I174 PolarHBondContact O-N 3.42Å; F171-I174 PolarHBondContact O-N 3.28Å; I174-N176 PolarHBondContact O-N 2.9Å; I174-S177 WeakPolarHBondContact CA-OG 3.15Å; I174-S177 PolarHBondContact O-N 3.46Å; I174-S177 VanDerWaalsContact O-N 3.09Å; I174-S177 PolarHBondContact O-OG 2.96Å; I174-V178 HydrophobicContact CG2-CG2 4.15Å; I174-V178 WeakPolarHBondContact O-CB 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 2.83Å
175R52.4Low53.7Low89 Ų8979.2 Ų79.234%0.33640%0.395SS..Hα-helixtrans-55.8-51.5174.8179.5-174.7-98.5134.5-5.9109.9F171 E172 S177 V178 V179 T270F171-R175 WeakPolarHBondContact O-CB 3.46Å; F171-R175 PolarHBondContact O-N 3.26Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 IonicContact OE2-NH1 2.63Å; E172-R175 PolarHBondContact OE2-NH1 3.45Å; R175-S177 PolarHBondContact O-N 3.42Å; R175-V178 PolarHBondContact O-N 2.7Å; R175-V178 VanDerWaalsContact O-N 3.08Å; R175-V179 HydrophobicContact CG-CG2 3.97Å; R175-V179 WeakPolarHBondContact O-CB 3.32Å; R175-V179 WeakPolarHBondContact O-CG2 3.22Å; R175-V179 PolarHBondContact O-N 2.83Å; R175-T270 PolarHBondContact NH2-O 3.36Å
176N53.3Low54.6Low68 Ų6879.5 Ų79.536%0.36440%0.396SS..Hα-helixtrans-64.2-26.5178.3-69.5-18.6000112.8E172 E173 I174 K180E172-N176 WeakPolarHBondContact O-CB 3.47Å; E172-N176 PolarHBondContact O-N 3.08Å; E172-N176 PolarHBondContact O-ND2 3.09Å; E173-N176 PolarHBondContact O-N 3.26Å; I174-N176 PolarHBondContact O-N 2.9Å; N176-K180 WeakPolarHBondContact O-CE 2.95Å; N176-K180 WeakPolarHBondContact O-CG 3.36Å
177S51.4Low55.7Low67 Ų6779.7 Ų79.747%0.46938%0.379SS..Hα-helixtrans-77.4-32.7173.678.40000112.9E173 I174 R175E173-S177 VanDerWaalsContact O-CB 3.31Å; E173-S177 WeakPolarHBondContact O-CB 3.45Å; E173-S177 PolarHBondContact O-N 2.75Å; I174-S177 WeakPolarHBondContact CA-OG 3.15Å; I174-S177 PolarHBondContact O-N 3.46Å; I174-S177 VanDerWaalsContact O-N 3.09Å; I174-S177 PolarHBondContact O-OG 2.96Å; R175-S177 PolarHBondContact O-N 3.42Å
178V47.5Very low57Low74 Ų7482.9 Ų82.945%0.44839%0.393SS..Hα-helixtrans-84.3-31.8-178.3174.80000111.2R129 I174 R175 K180R129-V178 HydrophobicContact CG-CG2 4.16Å; I174-V178 HydrophobicContact CG2-CG2 4.15Å; I174-V178 WeakPolarHBondContact O-CB 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 2.83Å; R175-V178 PolarHBondContact O-N 2.7Å; R175-V178 VanDerWaalsContact O-N 3.08Å; V178-K180 VanDerWaalsContact C-N 3.34Å; V178-K180 PolarHBondContact O-N 2.71Å
179V51.3Low58.2Low42 Ų4282.1 Ų82.126%0.25540%0.397SS..  trans-87.57.2-174.2-176.90000113.4R175 R181 P273R175-V179 HydrophobicContact CG-CG2 3.97Å; R175-V179 WeakPolarHBondContact O-CB 3.32Å; R175-V179 WeakPolarHBondContact O-CG2 3.22Å; R175-V179 PolarHBondContact O-N 2.83Å; V179-R181 PolarHBondContact O-N 2.71Å; V179-P273 HydrophobicContact CB-CG 4.47Å; V179-P273 VanDerWaalsContact CG1-CD 3.49Å; V179-P273 HydrophobicContact CG1-CG 3.91Å
180K48.4Very low59.3Low166 Ų16678.8 Ų78.872%0.72239%0.389SS*.  trans-69.554.8-175.8-61.4-161173.6-177.50116.6N176 V178N176-K180 WeakPolarHBondContact O-CE 2.95Å; N176-K180 WeakPolarHBondContact O-CG 3.36Å; V178-K180 VanDerWaalsContact C-N 3.34Å; V178-K180 PolarHBondContact O-N 2.71Å
181R49.8Very low60.7Low185 Ų18580.7 Ų80.770%0.69841%0.408SS*.SBendtrans-139.6123.1156.9-69.5-168.2-176.8-177.31.1110V179 L183V179-R181 PolarHBondContact O-N 2.71Å; R181-L183 PolarHBondContact O-N 3.44Å
182P52.8Low62Low58 Ų5886 Ų8638%0.37743%0.431SS..  trans-52.6134.3171.2-20.329.7000110.2A184 D185P182-A184 HydrophobicContact CB-CB 4.23Å; P182-A184 PolarHBondContact O-N 3.41Å; P182-D185 PolarHBondContact O-N 2.88Å
183L58.3Low63.4Low21 Ų2183.5 Ų83.511%0.1142%0.421CS..G310 helixtrans-64.3-26.2173.6-57.4164.2000110.3R181 D185 K186 Y187 L196 E197 F256 I272 T280R181-L183 PolarHBondContact O-N 3.44Å; L183-D185 VanDerWaalsContact C-N 3.26Å; L183-D185 PolarHBondContact O-N 3.06Å; L183-K186 WeakPolarHBondContact O-CA 3.39Å; L183-K186 WeakPolarHBondContact O-CB 3.21Å; L183-K186 PolarHBondContact O-N 2.96Å; L183-Y187 PolarHBondContact O-N 2.92Å; L183-L196 HydrophobicContact CB-CD1 4.04Å; L183-L196 HydrophobicContact CB-CG 4.47Å; L183-L196 WeakPolarHBondContact O-CD1 3.46Å; L183-E197 WeakPolarHBondContact CD2-O 3.35Å; L183-F256 HydrophobicContact CD1-CZ 4.11Å; L183-I272 HydrophobicContact CD1-CD1 4.22Å; L183-I272 HydrophobicContact CD1-CG2 3.95Å; L183-T280 HydrophobicContact CB-CG2 3.66Å; L183-T280 WeakPolarHBondContact CB-OG1 3.43Å; L183-T280 HydrophobicContact CD1-CG2 4.49Å
184A55.5Low64.6Low25 Ų2579.4 Ų79.421%0.20740%0.401CS..G310 helixtrans-51.3-41.1175.700000113.3P182 K186 Y187 S283P182-A184 HydrophobicContact CB-CB 4.23Å; P182-A184 PolarHBondContact O-N 3.41Å; A184-K186 PolarHBondContact O-N 3.41Å; A184-K186 VanDerWaalsContact O-N 3.11Å; A184-Y187 WeakPolarHBondContact O-CB 2.96Å; A184-Y187 PolarHBondContact O-N 3.45Å; A184-Y187 VanDerWaalsContact O-N 3.17Å; A184-S283 WeakPolarHBondContact CB-OG 3.37Å
185D60Low66.1Low129 Ų12978.9 Ų78.969%0.6940%0.399SS*.G310 helixtrans-68-13-179.8-62.6-23.9000112.9P182 L183P182-D185 PolarHBondContact O-N 2.88Å; L183-D185 VanDerWaalsContact C-N 3.26Å; L183-D185 PolarHBondContact O-N 3.06Å
186K69.5Low67.4Low66 Ų6674.6 Ų74.629%0.28738%0.383SS..G310 helixtrans-108.4-0.1-177.8-53.3-167.8174.1-1790112.7L183 A184 H188 E197L183-K186 WeakPolarHBondContact O-CA 3.39Å; L183-K186 WeakPolarHBondContact O-CB 3.21Å; L183-K186 PolarHBondContact O-N 2.96Å; A184-K186 PolarHBondContact O-N 3.41Å; A184-K186 VanDerWaalsContact O-N 3.11Å; K186-H188 PolarHBondContact O-ND1 3.07Å; K186-E197 HydrophobicContact CB-CB 3.96Å; K186-E197 HydrophobicContact CB-CG 4.25Å; K186-E197 HydrophobicContact CD-CB 3.61Å; K186-E197 VanDerWaalsContact CD-CD 3.42Å; K186-E197 HydrophobicContact CD-CG 3.9Å; K186-E197 WeakPolarHBondContact CD-OE2 3.34Å; K186-E197 WeakPolarHBondContact CE-OE2 3.34Å; K186-E197 HydrophobicContact CG-CB 4.48Å; K186-E197 IonicContact NZ-OE2 3.58Å; K186-E197 PolarHBondContact NZ-OE2 3.2Å
187Y74.9Confident68.5Low64 Ų6475 Ų7525%0.25138%0.382SS..  trans-75.3135.3172.4176.2-109.2000111.2L183 A184 H194 T195 L284L183-Y187 PolarHBondContact O-N 2.92Å; A184-Y187 WeakPolarHBondContact O-CB 2.96Å; A184-Y187 PolarHBondContact O-N 3.45Å; A184-Y187 VanDerWaalsContact O-N 3.17Å; Y187-H194 HydrophobicContact CE2-CB 4.07Å; Y187-H194 AromaticContact CZ-ND1 3.75Å; Y187-H194 PolarHBondContact OH-ND1 3.15Å; Y187-T195 VanDerWaalsContact CA-O 3.31Å; Y187-T195 WeakPolarHBondContact CA-O 3.45Å; Y187-T195 WeakPolarHBondContact CD2-O 3.06Å; Y187-L284 HydrophobicContact CD1-CD2 3.4Å; Y187-L284 VanDerWaalsContact CD1-CD2 3.4Å; Y187-L284 HydrophobicContact CD2-CD2 3.19Å; Y187-L284 HydrophobicContact CE1-CD2 3.86Å; Y187-L284 HydrophobicContact CE2-CD2 3.67Å; Y187-L284 HydrophobicContact CG-CD2 3Å
188H81Confident69.4Low90 Ų9071.9 Ų71.942%0.41736%0.36SS..EExtended strand (participates in β ladder)trans-152.4154.3168.855.2-77000110.1K186 T195K186-H188 PolarHBondContact O-ND1 3.07Å; H188-T195 PolarHBondContact N-O 2.97Å; H188-T195 PolarHBondContact O-N 2.63Å
189S81.2Confident70.1Confident64 Ų6470.4 Ų70.445%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-118.4120.4174174.70000109V193S189-V193 WeakPolarHBondContact CA-O 3.43Å
190T82.4Confident70.5Confident80 Ų8071 Ų7149%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-130.5129175.7-51.10000107.7K192 V193T190-K192 PolarHBondContact O-N 3.04Å; T190-V193 PolarHBondContact N-O 3.38Å; T190-V193 WeakPolarHBondContact O-CB 2.85Å; T190-V193 PolarHBondContact O-N 2.77Å
191D84.3Confident70.9Confident148 Ų14863.7 Ų63.779%0.79132%0.32SS*.THydrogen-bonded Turntrans50.340.9-179-57.8-34.9000114.4V193D191-V193 PolarHBondContact O-N 2.96Å
192K81.1Confident71.1Confident172 Ų17262 Ų6275%0.74831%0.314SS*.THydrogen-bonded Turntrans62.717.9-176.4-49.8178.9179.7-179.60114.4T190T190-K192 PolarHBondContact O-N 3.04Å
193V84.8Confident71.3Confident27 Ų2760.1 Ų60.116%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-100.8111.4170.8-174.10000109.2S189 T190 D191 T195 T226 K233 K235S189-V193 WeakPolarHBondContact CA-O 3.43Å; T190-V193 PolarHBondContact N-O 3.38Å; T190-V193 WeakPolarHBondContact O-CB 2.85Å; T190-V193 PolarHBondContact O-N 2.77Å; D191-V193 PolarHBondContact O-N 2.96Å; V193-T195 PolarHBondContact O-N 3.47Å; V193-T226 HydrophobicContact CG1-CG2 4.23Å; V193-K233 WeakPolarHBondContact CA-O 3.14Å; V193-K233 HydrophobicContact CB-CB 4.35Å; V193-K233 HydrophobicContact CG1-CB 4.35Å; V193-K233 HydrophobicContact CG2-CB 3.92Å; V193-K233 HydrophobicContact CG2-CD 4.03Å; V193-K235 HydrophobicContact CG1-CB 3.84Å
194H84.7Confident70.8Confident18 Ų1863.5 Ų63.58%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-78.9115.8175.2-62.7-70.2000109.2Y187 F232 K233 F234 K235 Y257Y187-H194 HydrophobicContact CE2-CB 4.07Å; Y187-H194 AromaticContact CZ-ND1 3.75Å; Y187-H194 PolarHBondContact OH-ND1 3.15Å; H194-F232 AromaticContact NE2-CD1 3.91Å; H194-K233 PolarHBondContact N-O 2.96Å; H194-F234 HydrophobicContact CB-CD1 3.65Å; H194-F234 HydrophobicContact CB-CE1 3.83Å; H194-F234 AromaticContact CD2-CE1 3.86Å; H194-F234 WeakPolarHBondContact O-CA 3.46Å; H194-K235 PolarHBondContact O-N 3.36Å; H194-Y257 HydrophobicContact CB-CD2 4.46Å; H194-Y257 AromaticContact CD2-CE2 3.77Å; H194-Y257 AromaticContact CE1-CE2 3.45Å; H194-Y257 VanDerWaalsContact CE1-CE2 3.45Å; H194-Y257 WeakPolarHBondContact CE1-CE2 3.22Å; H194-Y257 AromaticContact CE1-CZ 3.95Å; H194-Y257 AromaticContact CG-CE2 3.73Å; H194-Y257 AromaticContact ND1-CE2 3.52Å; H194-Y257 AromaticContact NE2-CE2 3.6Å; H194-Y257 AromaticContact NE2-CZ 3.72Å; H194-Y257 PolarHBondContact NE2-OH 3.04Å
195T84.6Confident70.4Confident3 Ų367.3 Ų67.32%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-115130.6-177.7-55.20000109.8Y187 H188 V193 K235Y187-T195 VanDerWaalsContact CA-O 3.31Å; Y187-T195 WeakPolarHBondContact CA-O 3.45Å; Y187-T195 WeakPolarHBondContact CD2-O 3.06Å; H188-T195 PolarHBondContact N-O 2.97Å; H188-T195 PolarHBondContact O-N 2.63Å; V193-T195 PolarHBondContact O-N 3.47Å; T195-K235 WeakPolarHBondContact CA-O 3.46Å; T195-K235 VanDerWaalsContact OG1-CE 3.3Å; T195-K235 WeakPolarHBondContact OG1-CE 3.27Å
196L79.9Confident70Confident0 Ų062.1 Ų62.10%031%0.312CS..EExtended strand (participates in β ladder)trans-133.3133.4173.1-172.868.9000108.2L183 V198 K235 S236 G237 V253 F256 T280 L284L183-L196 HydrophobicContact CB-CD1 4.04Å; L183-L196 HydrophobicContact CB-CG 4.47Å; L183-L196 WeakPolarHBondContact O-CD1 3.46Å; L196-V198 HydrophobicContact CB-CG1 4.21Å; L196-V198 HydrophobicContact CD2-CG1 3.54Å; L196-V198 HydrophobicContact CG-CG1 3.77Å; L196-V198 PolarHBondContact O-N 2.88Å; L196-V198 VanDerWaalsContact O-N 3.15Å; L196-K235 PolarHBondContact N-O 3.17Å; L196-S236 CarbonylContact O-C 3.54Å; L196-S236 WeakPolarHBondContact O-CA 3.47Å; L196-G237 PolarHBondContact O-N 3.45Å; L196-V253 HydrophobicContact CB-CB 4.37Å; L196-V253 HydrophobicContact CB-CG1 3.72Å; L196-V253 HydrophobicContact CB-CG2 3.84Å; L196-F256 HydrophobicContact CD2-CB 4.23Å; L196-F256 HydrophobicContact CD2-CD2 3.64Å; L196-F256 HydrophobicContact CD2-CE2 4.02Å; L196-F256 HydrophobicContact CD2-CG 3.95Å; L196-T280 HydrophobicContact CD1-CG2 4.29Å; L196-T280 HydrophobicContact CD2-CG2 4.3Å; L196-L284 HydrophobicContact CD2-CD1 4.16Å
197E75.2Confident69.1Low77 Ų7766.9 Ų66.936%0.3633%0.332SS..  trans-70.2110.5167.4-83.1-167.5-155.600108.5L183 K186L183-E197 WeakPolarHBondContact CD2-O 3.35Å; K186-E197 HydrophobicContact CB-CB 3.96Å; K186-E197 HydrophobicContact CB-CG 4.25Å; K186-E197 HydrophobicContact CD-CB 3.61Å; K186-E197 VanDerWaalsContact CD-CD 3.42Å; K186-E197 HydrophobicContact CD-CG 3.9Å; K186-E197 WeakPolarHBondContact CD-OE2 3.34Å; K186-E197 WeakPolarHBondContact CE-OE2 3.34Å; K186-E197 HydrophobicContact CG-CB 4.48Å; K186-E197 IonicContact NZ-OE2 3.58Å; K186-E197 PolarHBondContact NZ-OE2 3.2Å
198V69.6Low68.1Low0 Ų073.4 Ų73.40%036%0.358CS..  trans-125.4125.1176.1-67.90000109L196 C238 A249 L252 V253 F256L196-V198 HydrophobicContact CB-CG1 4.21Å; L196-V198 HydrophobicContact CD2-CG1 3.54Å; L196-V198 HydrophobicContact CG-CG1 3.77Å; L196-V198 PolarHBondContact O-N 2.88Å; L196-V198 VanDerWaalsContact O-N 3.15Å; V198-C238 PolarHBondContact O-SG 3.28Å; V198-A249 HydrophobicContact CG2-CB 3.93Å; V198-A249 WeakPolarHBondContact CG2-O 3.47Å; V198-L252 HydrophobicContact CB-CD2 4.15Å; V198-L252 HydrophobicContact CG1-CD2 4.4Å; V198-L252 HydrophobicContact CG2-CD2 4.44Å; V198-V253 HydrophobicContact CG1-CG2 4.26Å; V198-V253 HydrophobicContact CG2-CG2 3.82Å; V198-F256 HydrophobicContact CG1-CD2 4.04Å; V198-F256 HydrophobicContact CG1-CE2 3.57Å; V198-F256 HydrophobicContact CG1-CZ 4.49Å
199P62.2Low66.9Low43 Ų4372.2 Ų72.228%0.27935%0.353SS..  trans-64.1146.1174.526.2-32.4000110I201 V271 I272P199-I201 PolarHBondContact O-N 3.35Å; P199-V271 HydrophobicContact CG-CB 4.42Å; P199-I272 HydrophobicContact CG-CD1 4.02Å; P199-I272 HydrophobicContact CG-CG1 3.8Å
200F60Low65.8Low56 Ų5678.6 Ų78.625%0.24638%0.376CS..  trans-66127.9-175.1-62.4-71.2000112.2C238 W239 A240 Y245 A249F200-C238 HydrophobicContact CE2-CB 3.68Å; F200-C238 HydrophobicContact CZ-CB 3.63Å; F200-C238 WeakPolarHBondContact CZ-O 3.23Å; F200-W239 VanDerWaalsContact CE2-O 3.23Å; F200-W239 WeakPolarHBondContact CE2-O 3.39Å; F200-A240 HydrophobicContact CD1-CB 3.61Å; F200-A240 HydrophobicContact CD2-CB 4.1Å; F200-A240 HydrophobicContact CE1-CB 3.18Å; F200-A240 HydrophobicContact CE2-CB 3.7Å; F200-A240 HydrophobicContact CG-CB 4.06Å; F200-A240 HydrophobicContact CZ-CB 3.21Å; F200-Y245 VanDerWaalsContact CD1-O 3.27Å; F200-Y245 WeakPolarHBondContact CD1-O 3.44Å; F200-A249 HydrophobicContact CD1-CB 3.61Å; F200-A249 HydrophobicContact CE1-CB 3.49Å; F200-A249 VanDerWaalsContact CE1-CB 3.49Å
201I58.1Low65Low12 Ų1276.6 Ų76.66%0.06236%0.364CS..  trans-105.1130.4176.8-59.8-175.6000109.6P199 Y203 Q248 L252 C268 L269 I272P199-I201 PolarHBondContact O-N 3.35Å; I201-Y203 VanDerWaalsContact C-N 3.3Å; I201-Y203 HydrophobicContact CG2-CD2 4.3Å; I201-Y203 PolarHBondContact O-N 3.23Å; I201-Q248 PolarHBondContact O-OE1 3.25Å; I201-L252 HydrophobicContact CD1-CD1 4.48Å; I201-L252 HydrophobicContact CD1-CD2 3.5Å; I201-L252 HydrophobicContact CG1-CD2 4.21Å; I201-C268 WeakPolarHBondContact CD1-O 3.49Å; I201-C268 WeakPolarHBondContact CG2-O 3.08Å; I201-L269 HydrophobicContact CD1-CD2 3.62Å; I201-I272 HydrophobicContact CD1-CD1 4.46Å
202R52.3Low64.5Low149 Ų14975 Ų7556%0.56235%0.354SS*.  trans-75.584.2166.7-91.1-167.2-175152.715.7110Y245R202-Y245 HydrophobicContact CG-CE1 3.82Å; R202-Y245 PolarHBondContact NE-OH 2.92Å
203Y57.2Low64.3Low18 Ų1870.3 Ų70.37%0.07134%0.336CS..  trans-103.2101.1179.2-155.5-74.3000110.2I201 M205 L206 Q248 L264 P265 C268I201-Y203 VanDerWaalsContact C-N 3.3Å; I201-Y203 HydrophobicContact CG2-CD2 4.3Å; I201-Y203 PolarHBondContact O-N 3.23Å; Y203-M205 VanDerWaalsContact CD1-C 3.4Å; Y203-M205 HydrophobicContact CD1-CB 3.82Å; Y203-M205 VanDerWaalsContact CE1-CA 3.41Å; Y203-M205 HydrophobicContact CE1-CB 3.25Å; Y203-M205 HydrophobicContact CE1-CG 4.39Å; Y203-M205 PolarHBondContact O-N 3.24Å; Y203-L206 HydrophobicContact CD1-CB 3.83Å; Y203-L206 HydrophobicContact CD1-CD1 4.3Å; Y203-L206 HydrophobicContact CD1-CG 3.53Å; Y203-L206 HydrophobicContact CE1-CB 4.33Å; Y203-L206 HydrophobicContact CE1-CG 3.92Å; Y203-L206 VanDerWaalsContact CE1-N 3.26Å; Y203-L206 HydrophobicContact CG-CD1 4.25Å; Y203-L206 HydrophobicContact CG-CG 3.94Å; Y203-Q248 PolarHBondContact O-NE2 2.9Å; Y203-L264 HydrophobicContact CD2-CD2 4.42Å; Y203-L264 HydrophobicContact CE2-CB 4.24Å; Y203-L264 HydrophobicContact CE2-CD2 3.52Å; Y203-L264 HydrophobicContact CE2-CG 4.37Å; Y203-P265 WeakPolarHBondContact OH-CD 3.46Å; Y203-C268 HydrophobicContact CD2-CB 3.16Å; Y203-C268 WeakPolarHBondContact CD2-SG 3.37Å; Y203-C268 HydrophobicContact CE2-CB 2.97Å; Y203-C268 WeakPolarHBondContact CE2-SG 3.27Å; Y203-C268 HydrophobicContact CG-CB 4.35Å; Y203-C268 VanDerWaalsContact CZ-SG 3.53Å
204S49.5Very low64Low92 Ų9272.6 Ų72.664%0.64335%0.347SS*.THydrogen-bonded Turntrans-72.4-14.1174.344.20000113.5
205M45.5Very low64.2Low105 Ų10577 Ų7752%0.51737%0.368SS..THydrogen-bonded Turntrans-99.74.2-174.1-53.5-171.189.600115.5Y203 K207 Y208Y203-M205 VanDerWaalsContact CD1-C 3.4Å; Y203-M205 HydrophobicContact CD1-CB 3.82Å; Y203-M205 VanDerWaalsContact CE1-CA 3.41Å; Y203-M205 HydrophobicContact CE1-CB 3.25Å; Y203-M205 HydrophobicContact CE1-CG 4.39Å; Y203-M205 PolarHBondContact O-N 3.24Å; M205-K207 PolarHBondContact O-N 2.78Å; M205-Y208 WeakPolarHBondContact O-CD2 3.35Å
206L52.7Low64.3Low21 Ų2178.6 Ų78.611%0.1138%0.377CS..G310 helixtrans-77.7-1.5179.1-92.3175000110.5Y203 Y208 M209 Q248 I255Y203-L206 HydrophobicContact CD1-CB 3.83Å; Y203-L206 HydrophobicContact CD1-CD1 4.3Å; Y203-L206 HydrophobicContact CD1-CG 3.53Å; Y203-L206 HydrophobicContact CE1-CB 4.33Å; Y203-L206 HydrophobicContact CE1-CG 3.92Å; Y203-L206 VanDerWaalsContact CE1-N 3.26Å; Y203-L206 HydrophobicContact CG-CD1 4.25Å; Y203-L206 HydrophobicContact CG-CG 3.94Å; L206-Y208 PolarHBondContact O-N 2.79Å; L206-M209 HydrophobicContact CD2-CB 4.49Å; L206-M209 HydrophobicContact CD2-CE 3.46Å; L206-M209 VanDerWaalsContact CD2-CE 3.46Å; L206-M209 HydrophobicContact CD2-CG 4.08Å; L206-M209 HydrophobicContact CD2-SD 4.32Å; L206-M209 PolarHBondContact O-N 2.78Å; L206-M209 VanDerWaalsContact O-N 3.1Å; L206-Q248 HydrophobicContact CD1-CB 4.04Å; L206-Q248 HydrophobicContact CD1-CG 3.97Å; L206-I255 HydrophobicContact CD2-CD1 3.81Å
207K51Low64.8Low165 Ų16580.4 Ų80.472%0.71739%0.39SS*.G310 helixtrans-53-18174.8-83.7-170.6169.3-169.50113.6M205M205-K207 PolarHBondContact O-N 2.78Å
208Y52.6Low65.4Low202 Ų20281.1 Ų81.179%0.79240%0.399SS*.G310 helixtrans-97.4-9-177.2-59.5-71.6000114.6M205 L206M205-Y208 WeakPolarHBondContact O-CD2 3.35Å; L206-Y208 PolarHBondContact O-N 2.79Å
209M56Low66.2Low65 Ų6583 Ų8332%0.3242%0.415SS..SBendtrans-87.1116.4170.4-65.7-145.1-53.500109.1L206 V211 A251 I255L206-M209 HydrophobicContact CD2-CB 4.49Å; L206-M209 HydrophobicContact CD2-CE 3.46Å; L206-M209 VanDerWaalsContact CD2-CE 3.46Å; L206-M209 HydrophobicContact CD2-CG 4.08Å; L206-M209 HydrophobicContact CD2-SD 4.32Å; L206-M209 PolarHBondContact O-N 2.78Å; L206-M209 VanDerWaalsContact O-N 3.1Å; M209-V211 HydrophobicContact CB-CG2 3.93Å; M209-V211 VanDerWaalsContact O-CG2 3.32Å; M209-V211 WeakPolarHBondContact O-CG2 3.11Å; M209-V211 PolarHBondContact O-N 3.15Å; M209-A251 HydrophobicContact CE-CB 4.16Å; M209-I255 HydrophobicContact CE-CD1 3.32Å; M209-I255 HydrophobicContact CE-CG1 3.37Å; M209-I255 HydrophobicContact SD-CD1 4.09Å; M209-I255 HydrophobicContact SD-CG1 3.88Å
210Q58.4Low67.4Low197 Ų19788.4 Ų88.492%0.92144%0.441SS*.  trans-71.784.3167.4-72.1-174.4-4.600108.6
211V64.8Low68.6Low39 Ų3990.6 Ų90.624%0.23646%0.464CS..PPolyproline II helixtrans-95.2126.3172.9-128.90000107.9M209 I213 V227 V229 A251M209-V211 HydrophobicContact CB-CG2 3.93Å; M209-V211 VanDerWaalsContact O-CG2 3.32Å; M209-V211 WeakPolarHBondContact O-CG2 3.11Å; M209-V211 PolarHBondContact O-N 3.15Å; V211-I213 PolarHBondContact O-N 2.81Å; V211-V227 HydrophobicContact CB-CB 4.42Å; V211-V227 HydrophobicContact CG1-CB 3.65Å; V211-V227 HydrophobicContact CG1-CG1 4.13Å; V211-V227 HydrophobicContact CG1-CG2 3.72Å; V211-V229 HydrophobicContact CG1-CG2 3.31Å; V211-A251 HydrophobicContact CG1-CB 4.17Å; V211-A251 HydrophobicContact CG2-CB 4.03Å
212I74.3Confident69.9Low114 Ų11495 Ų9559%0.58548%0.482SS*.EExtended strand (participates in β ladder)trans-84.1117.1174.9-61.3172000107I214 V227 D228I212-I214 PolarHBondContact O-N 2.92Å; I212-V227 CarbonylContact O-C 3.51Å; I212-V227 WeakPolarHBondContact O-CA 3.18Å; I212-D228 HydrophobicContact CB-CB 4.13Å; I212-D228 PolarHBondContact N-O 3.17Å; I212-D228 PolarHBondContact O-N 2.93Å
213I76.9Confident71.6Confident74 Ų7490.3 Ų90.338%0.37947%0.466SS..EExtended strand (participates in β ladder)trans-78.1118.7176.4-58.5160.9000107.8V211 V227 E247V211-I213 PolarHBondContact O-N 2.81Å; I213-V227 HydrophobicContact CG1-CG1 4.38Å; I213-E247 HydrophobicContact CD1-CG 3.89Å; I213-E247 HydrophobicContact CG1-CG 4.32Å
214I79.2Confident73.2Confident74 Ų7490.6 Ų90.638%0.37947%0.469SS..EExtended strand (participates in β ladder)trans-90.3-45.3-178.5-48.3176000110.4I212 T226 D228 K233I212-I214 PolarHBondContact O-N 2.92Å; I214-T226 HydrophobicContact CD1-CG2 4.4Å; I214-T226 PolarHBondContact N-O 2.85Å; I214-D228 HydrophobicContact CD1-CB 3.5Å; I214-D228 HydrophobicContact CG1-CB 3.64Å; I214-K233 HydrophobicContact CD1-CB 4.27Å; I214-K233 HydrophobicContact CD1-CD 3.9Å; I214-K233 HydrophobicContact CD1-CG 3.62Å
215E87.6Confident75.1Confident112 Ų11286.2 Ų86.252%0.52344%0.438SS..EExtended strand (participates in β ladder)trans-148.4149.3-170.8-165.3-176.8169.700110.9S225 T226E215-S225 CarbonylContact O-C 3.56Å; E215-S225 VanDerWaalsContact O-CA 3.31Å; E215-S225 WeakPolarHBondContact O-CA 3.49Å; E215-T226 PolarHBondContact N-O 3.19Å; E215-T226 PolarHBondContact O-N 3.25Å
216T87.9Confident77.3Confident36 Ų3681.8 Ų81.822%0.22142%0.417CS..EExtended strand (participates in β ladder)trans-140.9111.8165.5-63.70000109.7F223 M224 S225 R243T216-F223 HydrophobicContact CG2-CB 4.27Å; T216-F223 HydrophobicContact CG2-CD1 4.18Å; T216-M224 CarbonylContact C-O 3.54Å; T216-M224 VanDerWaalsContact CA-O 3.3Å; T216-M224 WeakPolarHBondContact CA-O 3.28Å; T216-S225 WeakPolarHBondContact CG2-OG 3.24Å; T216-S225 PolarHBondContact OG1-OG 3.11Å; T216-R243 HydrophobicContact CG2-CG 4.34Å
217S89.1Confident79Confident37 Ų3780.8 Ų80.826%0.25941%0.412SS..EExtended strand (participates in β ladder)trans-82.7147.2173.6-40.80000110.2F223 M224S217-F223 WeakPolarHBondContact O-CA 3.46Å; S217-M224 PolarHBondContact N-O 3.15Å; S217-M224 PolarHBondContact O-N 3.44Å
218V89.1Confident80.7Confident92 Ų9274.6 Ų74.656%0.55839%0.386SS*.EExtended strand (participates in β ladder)trans-128.3126.5179.2-174.80000109.8K222 F223V218-K222 WeakPolarHBondContact CA-O 3.28Å; V218-F223 HydrophobicContact CG1-CE1 4.35Å; V218-F223 HydrophobicContact CG2-CD1 3.72Å; V218-F223 HydrophobicContact CG2-CE1 3.89Å
219A86.8Confident82Confident41 Ų4166.9 Ų66.934%0.33936%0.36SS..EExtended strand (participates in β ladder)trans-146.6137175.200000109.4S221 K222 W239A219-S221 VanDerWaalsContact C-N 3.27Å; A219-S221 PolarHBondContact O-N 3.48Å; A219-S221 VanDerWaalsContact O-N 3.17Å; A219-K222 PolarHBondContact N-O 3.45Å; A219-K222 WeakPolarHBondContact O-CA 3.4Å; A219-K222 WeakPolarHBondContact O-CB 3.4Å; A219-K222 PolarHBondContact O-N 3.29Å; A219-W239 HydrophobicContact CB-CE3 4.24Å; A219-W239 HydrophobicContact CB-CH2 3.56Å; A219-W239 HydrophobicContact CB-CZ2 4.17Å; A219-W239 HydrophobicContact CB-CZ3 3.61Å
220D86.7Confident82.8Confident155 Ų15567.3 Ų67.383%0.82938%0.381SS*.THydrogen-bonded Turntrans49.741.1179.1-61.1-33.3000114.8K222D220-K222 PolarHBondContact O-N 3.04Å; D220-K222 VanDerWaalsContact O-N 3.15Å
221S84.5Confident83.8Confident103 Ų10360.8 Ų60.872%0.7237%0.367SS*.THydrogen-bonded Turntrans58.620.8-174.4-52.90000114.5A219A219-S221 VanDerWaalsContact C-N 3.27Å; A219-S221 PolarHBondContact O-N 3.48Å; A219-S221 VanDerWaalsContact O-N 3.17Å
222K86.2Confident84.6Confident103 Ų10363 Ų6345%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-113.3157.9171.8-59.1-179-177.3177.40110.7V218 A219 D220 W239 A240V218-K222 WeakPolarHBondContact CA-O 3.28Å; A219-K222 PolarHBondContact N-O 3.45Å; A219-K222 WeakPolarHBondContact O-CA 3.4Å; A219-K222 WeakPolarHBondContact O-CB 3.4Å; A219-K222 PolarHBondContact O-N 3.29Å; D220-K222 PolarHBondContact O-N 3.04Å; D220-K222 VanDerWaalsContact O-N 3.15Å; K222-W239 HydrophobicContact CB-CB 3.88Å; K222-W239 HydrophobicContact CB-CE3 4.14Å; K222-W239 HydrophobicContact CD-CB 3.86Å; K222-A240 CarbonylContact C-O 3.3Å; K222-A240 WeakPolarHBondContact CA-O 3.33Å; K222-A240 WeakPolarHBondContact CB-O 3.49Å
223F87.6Confident85.3Confident51 Ų5161.7 Ų61.722%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-122141.7-172.2-55.8-93.9000110T216 S217 V218 A240 K242 R243 A246T216-F223 HydrophobicContact CG2-CB 4.27Å; T216-F223 HydrophobicContact CG2-CD1 4.18Å; S217-F223 WeakPolarHBondContact O-CA 3.46Å; V218-F223 HydrophobicContact CG1-CE1 4.35Å; V218-F223 HydrophobicContact CG2-CD1 3.72Å; V218-F223 HydrophobicContact CG2-CE1 3.89Å; F223-A240 WeakPolarHBondContact CD2-O 3.07Å; F223-A240 PolarHBondContact N-O 3.08Å; F223-A240 PolarHBondContact O-N 2.8Å; F223-K242 VanDerWaalsContact CD2-C 3.47Å; F223-R243 HydrophobicContact CB-CB 4.45Å; F223-R243 HydrophobicContact CD1-CB 3.7Å; F223-R243 HydrophobicContact CD1-CG 4.31Å; F223-R243 HydrophobicContact CD2-CB 4.33Å; F223-R243 HydrophobicContact CE1-CB 3.99Å; F223-R243 HydrophobicContact CG-CB 3.9Å; F223-R243 HydrophobicContact CZ-CB 4.42Å; F223-A246 HydrophobicContact CB-CB 3.75Å; F223-A246 VanDerWaalsContact O-CB 3.31Å; F223-A246 WeakPolarHBondContact O-CB 3.4Å
224M90.3Very high85.9Confident25 Ų2558.1 Ų58.112%0.12335%0.345CS..EExtended strand (participates in β ladder)trans-134.4126.1169.6-177.5174.76100107.4T216 S217 K235 S236 W239T216-M224 CarbonylContact C-O 3.54Å; T216-M224 VanDerWaalsContact CA-O 3.3Å; T216-M224 WeakPolarHBondContact CA-O 3.28Å; S217-M224 PolarHBondContact N-O 3.15Å; S217-M224 PolarHBondContact O-N 3.44Å; M224-K235 HydrophobicContact CE-CD 4.17Å; M224-K235 HydrophobicContact CG-CD 4.38Å; M224-K235 HydrophobicContact CG-CG 4.14Å; M224-K235 HydrophobicContact SD-CD 4.04Å; M224-K235 HydrophobicContact SD-CG 4.26Å; M224-S236 WeakPolarHBondContact CG-O 3.37Å; M224-S236 VanDerWaalsContact SD-O 3.4Å; M224-W239 HydrophobicContact CB-CD2 4.04Å; M224-W239 HydrophobicContact CB-CE3 3.83Å; M224-W239 HydrophobicContact CB-CH2 4.24Å; M224-W239 HydrophobicContact CB-CZ2 4.44Å; M224-W239 HydrophobicContact CB-CZ3 3.92Å; M224-W239 HydrophobicContact CE-CH2 4.13Å; M224-W239 HydrophobicContact CE-CZ2 3.73Å; M224-W239 HydrophobicContact SD-CZ2 4.44Å
225S90Very high86.4Confident0 Ų057.3 Ų57.30%034%0.339CS..EExtended strand (participates in β ladder)trans-115.4151.6-174-60.20000111.1E215 T216 A246 E247 A250E215-S225 CarbonylContact O-C 3.56Å; E215-S225 VanDerWaalsContact O-CA 3.31Å; E215-S225 WeakPolarHBondContact O-CA 3.49Å; T216-S225 WeakPolarHBondContact CG2-OG 3.24Å; T216-S225 PolarHBondContact OG1-OG 3.11Å; S225-A246 WeakPolarHBondContact OG-CB 3.42Å; S225-E247 WeakPolarHBondContact OG-CG 3.43Å; S225-E247 PolarHBondContact OG-N 3Å; S225-A250 WeakPolarHBondContact O-CB 3.39Å
226T91.3Very high86.3Confident11 Ų1152 Ų527%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-119.1132.6170.4-540000108.4V193 I214 E215 K233 F234 K235V193-T226 HydrophobicContact CG1-CG2 4.23Å; I214-T226 HydrophobicContact CD1-CG2 4.4Å; I214-T226 PolarHBondContact N-O 2.85Å; E215-T226 PolarHBondContact N-O 3.19Å; E215-T226 PolarHBondContact O-N 3.25Å; T226-K233 HydrophobicContact CG2-CB 4.17Å; T226-F234 CarbonylContact C-O 3.5Å; T226-F234 WeakPolarHBondContact CA-O 3.44Å; T226-F234 WeakPolarHBondContact CG2-O 2.86Å; T226-K235 HydrophobicContact CG2-CB 4.44Å
227V88.7Confident86.1Confident1 Ų151.5 Ų51.51%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-118.4148.3179.4-60.40000111V211 I212 I213 K233 F234 A250V211-V227 HydrophobicContact CB-CB 4.42Å; V211-V227 HydrophobicContact CG1-CB 3.65Å; V211-V227 HydrophobicContact CG1-CG1 4.13Å; V211-V227 HydrophobicContact CG1-CG2 3.72Å; I212-V227 CarbonylContact O-C 3.51Å; I212-V227 WeakPolarHBondContact O-CA 3.18Å; I213-V227 HydrophobicContact CG1-CG1 4.38Å; V227-K233 CarbonylContact O-C 3.55Å; V227-K233 WeakPolarHBondContact O-CA 3.49Å; V227-F234 HydrophobicContact CG2-CB 3.87Å; V227-F234 PolarHBondContact N-O 3.37Å; V227-F234 PolarHBondContact O-N 2.71Å; V227-A250 HydrophobicContact CB-CB 4.42Å; V227-A250 HydrophobicContact CG1-CB 3.81Å; V227-A250 HydrophobicContact CG2-CB 3.94Å
228D86Confident85.6Confident34 Ų3451.1 Ų51.118%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-97.7131169.1-162.9-77.7000108.9I212 I214 G230 G231 F232I212-D228 HydrophobicContact CB-CB 4.13Å; I212-D228 PolarHBondContact N-O 3.17Å; I212-D228 PolarHBondContact O-N 2.93Å; I214-D228 HydrophobicContact CD1-CB 3.5Å; I214-D228 HydrophobicContact CG1-CB 3.64Å; D228-G230 PolarHBondContact OD1-N 3.37Å; D228-G231 WeakPolarHBondContact OD1-CA 3.13Å; D228-G231 PolarHBondContact OD1-N 3.07Å; D228-F232 WeakPolarHBondContact CA-O 3.45Å
229V80.1Confident85.4Confident41 Ų4151.5 Ų51.525%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-133.4107.1167.2-177.10000108V211 G231 F232 F234 A254 F258V211-V229 HydrophobicContact CG1-CG2 3.31Å; V229-G231 VanDerWaalsContact C-N 3.31Å; V229-G231 PolarHBondContact O-N 3.28Å; V229-F232 PolarHBondContact N-O 3.26Å; V229-F232 PolarHBondContact O-N 3.28Å; V229-F234 HydrophobicContact CB-CD2 4.21Å; V229-F234 HydrophobicContact CB-CE2 3.88Å; V229-F234 HydrophobicContact CG2-CD2 4.24Å; V229-F234 HydrophobicContact CG2-CE2 4.38Å; V229-A254 HydrophobicContact CB-CB 4.25Å; V229-A254 HydrophobicContact CG2-CB 3.69Å; V229-F258 HydrophobicContact CB-CE2 3.88Å; V229-F258 HydrophobicContact CG1-CD2 4.24Å; V229-F258 HydrophobicContact CG1-CE2 3.56Å; V229-F258 HydrophobicContact CG1-CZ 4.27Å
230G74.1Confident85.1Confident73 Ų7349.5 Ų49.575%0.75329%0.289SS*.THydrogen-bonded Turntrans6431.3177.200000114.2D228 F232D228-G230 PolarHBondContact OD1-N 3.37Å; G230-F232 VanDerWaalsContact C-N 3.33Å
231G78.3Confident84.8Confident61 Ų6146.3 Ų46.363%0.62928%0.278SS*.THydrogen-bonded Turntrans86.5-1.9-178.300000114.8D228 V229D228-G231 WeakPolarHBondContact OD1-CA 3.13Å; D228-G231 PolarHBondContact OD1-N 3.07Å; V229-G231 VanDerWaalsContact C-N 3.31Å; V229-G231 PolarHBondContact O-N 3.28Å
232F81.8Confident84.6Confident84 Ų8446.9 Ų46.937%0.36827%0.268SS..EExtended strand (participates in β ladder)trans-96.8137.9172.6-64.1-91.9000110.2H194 D228 V229 G230 F234 Y257 F258H194-F232 AromaticContact NE2-CD1 3.91Å; D228-F232 WeakPolarHBondContact CA-O 3.45Å; V229-F232 PolarHBondContact N-O 3.26Å; V229-F232 PolarHBondContact O-N 3.28Å; G230-F232 VanDerWaalsContact C-N 3.33Å; F232-F234 HydrophobicContact CB-CD2 4.41Å; F232-F234 HydrophobicContact CB-CE1 4.41Å; F232-F234 HydrophobicContact CB-CE2 3.4Å; F232-F234 HydrophobicContact CB-CZ 3.41Å; F232-F234 VanDerWaalsContact CB-CZ 3.41Å; F232-F234 HydrophobicContact CG-CZ 4.31Å; F232-F234 WeakPolarHBondContact O-CD2 3.38Å; F232-F234 WeakPolarHBondContact O-CE2 3.15Å; F232-Y257 HydrophobicContact CD1-CE1 4.17Å; F232-Y257 HydrophobicContact CE1-CE1 4.38Å; F232-Y257 WeakPolarHBondContact CE1-OH 3.22Å; F232-Y257 HydrophobicContact CG-CE1 4.45Å; F232-F258 HydrophobicContact CB-CZ 4.5Å; F232-F258 HydrophobicContact CD2-CE1 4.43Å; F232-F258 HydrophobicContact CD2-CZ 4.02Å; F232-F258 HydrophobicContact CG-CZ 4.45Å
233K89.7Confident84.4Confident87 Ų8748.4 Ų48.438%0.37827%0.271SS..EExtended strand (participates in β ladder)trans-100.7133.7-178.9-57.6-173.1178.9177.20110.7V193 H194 I214 T226 V227V193-K233 WeakPolarHBondContact CA-O 3.14Å; V193-K233 HydrophobicContact CB-CB 4.35Å; V193-K233 HydrophobicContact CG1-CB 4.35Å; V193-K233 HydrophobicContact CG2-CB 3.92Å; V193-K233 HydrophobicContact CG2-CD 4.03Å; H194-K233 PolarHBondContact N-O 2.96Å; I214-K233 HydrophobicContact CD1-CB 4.27Å; I214-K233 HydrophobicContact CD1-CD 3.9Å; I214-K233 HydrophobicContact CD1-CG 3.62Å; T226-K233 HydrophobicContact CG2-CB 4.17Å; V227-K233 CarbonylContact O-C 3.55Å; V227-K233 WeakPolarHBondContact O-CA 3.49Å
234F88.9Confident84.1Confident0 Ų052.1 Ų52.10%028%0.283CS..EExtended strand (participates in β ladder)trans-130.6134.4-176.3-58.7-77.9000111.6H194 T226 V227 V229 F232 V253 A254 Y257 F258H194-F234 HydrophobicContact CB-CD1 3.65Å; H194-F234 HydrophobicContact CB-CE1 3.83Å; H194-F234 AromaticContact CD2-CE1 3.86Å; H194-F234 WeakPolarHBondContact O-CA 3.46Å; T226-F234 CarbonylContact C-O 3.5Å; T226-F234 WeakPolarHBondContact CA-O 3.44Å; T226-F234 WeakPolarHBondContact CG2-O 2.86Å; V227-F234 HydrophobicContact CG2-CB 3.87Å; V227-F234 PolarHBondContact N-O 3.37Å; V227-F234 PolarHBondContact O-N 2.71Å; V229-F234 HydrophobicContact CB-CD2 4.21Å; V229-F234 HydrophobicContact CB-CE2 3.88Å; V229-F234 HydrophobicContact CG2-CD2 4.24Å; V229-F234 HydrophobicContact CG2-CE2 4.38Å; F232-F234 HydrophobicContact CB-CD2 4.41Å; F232-F234 HydrophobicContact CB-CE1 4.41Å; F232-F234 HydrophobicContact CB-CE2 3.4Å; F232-F234 HydrophobicContact CB-CZ 3.41Å; F232-F234 VanDerWaalsContact CB-CZ 3.41Å; F232-F234 HydrophobicContact CG-CZ 4.31Å; F232-F234 WeakPolarHBondContact O-CD2 3.38Å; F232-F234 WeakPolarHBondContact O-CE2 3.15Å; F234-V253 HydrophobicContact CB-CB 4.16Å; F234-V253 HydrophobicContact CB-CG1 4.29Å; F234-V253 HydrophobicContact CD1-CG1 4.04Å; F234-A254 HydrophobicContact CB-CB 4.17Å; F234-A254 HydrophobicContact CD1-CB 4.13Å; F234-A254 HydrophobicContact CD2-CB 3.39Å; F234-A254 HydrophobicContact CE1-CB 4.43Å; F234-A254 HydrophobicContact CE2-CB 3.71Å; F234-A254 HydrophobicContact CG-CB 3.6Å; F234-A254 HydrophobicContact CZ-CB 4.21Å; F234-Y257 VanDerWaalsContact CE1-CB 3.44Å; F234-Y257 AromaticContact CE1-CD1 3.69Å; F234-Y257 HydrophobicContact CE1-CD1 3.69Å; F234-Y257 AromaticContact CE1-CD2 3.81Å; F234-Y257 HydrophobicContact CE1-CD2 3.81Å; F234-Y257 HydrophobicContact CE1-CE1 4.33Å; F234-Y257 HydrophobicContact CE1-CE2 4.4Å; F234-Y257 AromaticContact CE1-CG 3.39Å; F234-Y257 HydrophobicContact CE1-CG 3.39Å; F234-Y257 AromaticContact CZ-CD1 3.61Å; F234-Y257 HydrophobicContact CZ-CD1 3.61Å; F234-Y257 HydrophobicContact CZ-CE1 4.11Å; F234-Y257 AromaticContact CZ-CG 3.83Å; F234-Y257 HydrophobicContact CZ-CG 3.83Å; F234-F258 AromaticContact CE2-CE2 3.72Å; F234-F258 HydrophobicContact CE2-CE2 3.72Å; F234-F258 HydrophobicContact CE2-CZ 4.13Å; F234-F258 HydrophobicContact CZ-CD2 4.48Å; F234-F258 AromaticContact CZ-CE2 3.65Å; F234-F258 HydrophobicContact CZ-CE2 3.65Å; F234-F258 AromaticContact CZ-CZ 3.87Å; F234-F258 HydrophobicContact CZ-CZ 3.87Å
235K90.2Very high83.5Confident57 Ų5752.8 Ų52.825%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-136.9140-177.4-174.9-17968.5-176.60110.4V193 H194 T195 L196 M224 T226 V253V193-K235 HydrophobicContact CG1-CB 3.84Å; H194-K235 PolarHBondContact O-N 3.36Å; T195-K235 WeakPolarHBondContact CA-O 3.46Å; T195-K235 VanDerWaalsContact OG1-CE 3.3Å; T195-K235 WeakPolarHBondContact OG1-CE 3.27Å; L196-K235 PolarHBondContact N-O 3.17Å; M224-K235 HydrophobicContact CE-CD 4.17Å; M224-K235 HydrophobicContact CG-CD 4.38Å; M224-K235 HydrophobicContact CG-CG 4.14Å; M224-K235 HydrophobicContact SD-CD 4.04Å; M224-K235 HydrophobicContact SD-CG 4.26Å; T226-K235 HydrophobicContact CG2-CB 4.44Å; K235-V253 WeakPolarHBondContact O-CG2 3.44Å
236S85.9Confident83.2Confident0 Ų052.8 Ų52.80%029%0.285CS..EExtended strand (participates in β ladder)trans-81.2137168.2740000110.8L196 M224 C238L196-S236 CarbonylContact O-C 3.54Å; L196-S236 WeakPolarHBondContact O-CA 3.47Å; M224-S236 WeakPolarHBondContact CG-O 3.37Å; M224-S236 VanDerWaalsContact SD-O 3.4Å; S236-C238 PolarHBondContact O-N 3.11Å; S236-C238 PolarHBondContact OG-O 3.43Å; S236-C238 VanDerWaalsContact OG-O 3.11Å
237G82.9Confident82.9Confident25 Ų2554.1 Ų54.126%0.25829%0.29SS..SBendtrans-69.3-9.5171.400000114.4L196L196-G237 PolarHBondContact O-N 3.45Å
238C79.3Confident82.6Confident30 Ų3055.1 Ų55.120%0.20330%0.295CS..SBendtrans-96.8151.5-177.8-56.90000112.4V198 F200 S236V198-C238 PolarHBondContact O-SG 3.28Å; F200-C238 HydrophobicContact CE2-CB 3.68Å; F200-C238 HydrophobicContact CZ-CB 3.63Å; F200-C238 WeakPolarHBondContact CZ-O 3.23Å; S236-C238 PolarHBondContact O-N 3.11Å; S236-C238 PolarHBondContact OG-O 3.43Å; S236-C238 VanDerWaalsContact OG-O 3.11Å
239W85Confident82.3Confident99 Ų9953.6 Ų53.638%0.37529%0.287SS..PPolyproline II helixtrans-101.3123.3174.5-7388.1000111.9F200 A219 K222 M224F200-W239 VanDerWaalsContact CE2-O 3.23Å; F200-W239 WeakPolarHBondContact CE2-O 3.39Å; A219-W239 HydrophobicContact CB-CE3 4.24Å; A219-W239 HydrophobicContact CB-CH2 3.56Å; A219-W239 HydrophobicContact CB-CZ2 4.17Å; A219-W239 HydrophobicContact CB-CZ3 3.61Å; K222-W239 HydrophobicContact CB-CB 3.88Å; K222-W239 HydrophobicContact CB-CE3 4.14Å; K222-W239 HydrophobicContact CD-CB 3.86Å; M224-W239 HydrophobicContact CB-CD2 4.04Å; M224-W239 HydrophobicContact CB-CE3 3.83Å; M224-W239 HydrophobicContact CB-CH2 4.24Å; M224-W239 HydrophobicContact CB-CZ2 4.44Å; M224-W239 HydrophobicContact CB-CZ3 3.92Å; M224-W239 HydrophobicContact CE-CH2 4.13Å; M224-W239 HydrophobicContact CE-CZ2 3.73Å; M224-W239 HydrophobicContact SD-CZ2 4.44Å
240A79.3Confident82.7Confident0 Ų051.7 Ų51.70%028%0.275CS..BIsolated β-bridgetrans-96.5144.8-171.900000112.7F200 K222 F223 K242 A246F200-A240 HydrophobicContact CD1-CB 3.61Å; F200-A240 HydrophobicContact CD2-CB 4.1Å; F200-A240 HydrophobicContact CE1-CB 3.18Å; F200-A240 HydrophobicContact CE2-CB 3.7Å; F200-A240 HydrophobicContact CG-CB 4.06Å; F200-A240 HydrophobicContact CZ-CB 3.21Å; K222-A240 CarbonylContact C-O 3.3Å; K222-A240 WeakPolarHBondContact CA-O 3.33Å; K222-A240 WeakPolarHBondContact CB-O 3.49Å; F223-A240 WeakPolarHBondContact CD2-O 3.07Å; F223-A240 PolarHBondContact N-O 3.08Å; F223-A240 PolarHBondContact O-N 2.8Å; A240-K242 WeakPolarHBondContact CB-O 3.28Å; A240-K242 PolarHBondContact O-N 3.26Å; A240-A246 HydrophobicContact CB-CB 3.85Å
241S80.1Confident83.2Confident88 Ų8848.3 Ų48.362%0.61524%0.24SC*.SBendtrans-70.3-12172.257.80000114.3
242K80.1Confident83.3Confident114 Ų11445.6 Ų45.650%0.49621%0.212SC..SBendtrans-137.5136.2177.4-60.7-168.4179-168.80110.2F223 A240 R244 Y245 A246F223-K242 VanDerWaalsContact CD2-C 3.47Å; A240-K242 WeakPolarHBondContact CB-O 3.28Å; A240-K242 PolarHBondContact O-N 3.26Å; K242-R244 VanDerWaalsContact C-N 3.29Å; K242-R244 PolarHBondContact O-N 2.98Å; K242-Y245 HydrophobicContact CB-CD2 3.77Å; K242-Y245 HydrophobicContact CB-CE2 4.12Å; K242-Y245 HydrophobicContact CB-CG 4.15Å; K242-Y245 HydrophobicContact CD-CD2 4.26Å; K242-Y245 HydrophobicContact CD-CE2 3.72Å; K242-Y245 HydrophobicContact CG-CD2 4.08Å; K242-Y245 HydrophobicContact CG-CE2 3.99Å; K242-Y245 WeakPolarHBondContact O-CB 3.35Å; K242-Y245 PolarHBondContact O-N 3.45Å; K242-A246 PolarHBondContact O-N 3.33Å
243R82.9Confident83.4Confident135 Ų13541.7 Ų41.751%0.50920%0.195SC..Hα-helixtrans-47.2-49.4175.3178.3172.2174.4165.85.8113.2T216 F223 Y245 A246 E247T216-R243 HydrophobicContact CG2-CG 4.34Å; F223-R243 HydrophobicContact CB-CB 4.45Å; F223-R243 HydrophobicContact CD1-CB 3.7Å; F223-R243 HydrophobicContact CD1-CG 4.31Å; F223-R243 HydrophobicContact CD2-CB 4.33Å; F223-R243 HydrophobicContact CE1-CB 3.99Å; F223-R243 HydrophobicContact CG-CB 3.9Å; F223-R243 HydrophobicContact CZ-CB 4.42Å; R243-Y245 PolarHBondContact O-N 3.19Å; R243-Y245 VanDerWaalsContact O-N 3.15Å; R243-A246 WeakPolarHBondContact O-CA 3.49Å; R243-A246 WeakPolarHBondContact O-CB 3.07Å; R243-A246 PolarHBondContact O-N 3.47Å; R243-E247 HydrophobicContact CG-CG 4.47Å; R243-E247 VanDerWaalsContact CG-OE1 3.28Å; R243-E247 WeakPolarHBondContact CG-OE1 3.41Å; R243-E247 IonicContact CZ-OE1 3.73Å; R243-E247 IonicContact NE-OE1 2.85Å; R243-E247 PolarHBondContact NE-OE1 2.93Å; R243-E247 IonicContact NH2-OE1 3.76Å; R243-E247 PolarHBondContact O-N 2.89Å
244R80.5Confident83.1Confident129 Ų12937.7 Ų37.749%0.48718%0.177SC..Hα-helixtrans-57.7-32179-174.5173.5175.3-178.50.2113.8K242 Q248K242-R244 VanDerWaalsContact C-N 3.29Å; K242-R244 PolarHBondContact O-N 2.98Å; R244-Q248 WeakPolarHBondContact O-CB 3.32Å; R244-Q248 WeakPolarHBondContact O-CG 3.48Å; R244-Q248 PolarHBondContact O-N 3.17Å
245Y79Confident82.6Confident39 Ų3937.8 Ų37.815%0.15318%0.178CC..Hα-helixtrans-75.4-36.6177-62.3-23.4000111.3F200 R202 K242 R243 Q248 A249F200-Y245 VanDerWaalsContact CD1-O 3.27Å; F200-Y245 WeakPolarHBondContact CD1-O 3.44Å; R202-Y245 HydrophobicContact CG-CE1 3.82Å; R202-Y245 PolarHBondContact NE-OH 2.92Å; K242-Y245 HydrophobicContact CB-CD2 3.77Å; K242-Y245 HydrophobicContact CB-CE2 4.12Å; K242-Y245 HydrophobicContact CB-CG 4.15Å; K242-Y245 HydrophobicContact CD-CD2 4.26Å; K242-Y245 HydrophobicContact CD-CE2 3.72Å; K242-Y245 HydrophobicContact CG-CD2 4.08Å; K242-Y245 HydrophobicContact CG-CE2 3.99Å; K242-Y245 WeakPolarHBondContact O-CB 3.35Å; K242-Y245 PolarHBondContact O-N 3.45Å; R243-Y245 PolarHBondContact O-N 3.19Å; R243-Y245 VanDerWaalsContact O-N 3.15Å; Y245-Q248 PolarHBondContact O-N 3.14Å; Y245-A249 WeakPolarHBondContact O-CB 3.39Å; Y245-A249 PolarHBondContact O-N 3.04Å
246A83.4Confident81.9Confident0 Ų035.1 Ų35.10%017%0.166CC..Hα-helixtrans-60.8-45.7173.400000112.1F223 S225 A240 K242 R243 Q248 A249 A250F223-A246 HydrophobicContact CB-CB 3.75Å; F223-A246 VanDerWaalsContact O-CB 3.31Å; F223-A246 WeakPolarHBondContact O-CB 3.4Å; S225-A246 WeakPolarHBondContact OG-CB 3.42Å; A240-A246 HydrophobicContact CB-CB 3.85Å; K242-A246 PolarHBondContact O-N 3.33Å; R243-A246 WeakPolarHBondContact O-CA 3.49Å; R243-A246 WeakPolarHBondContact O-CB 3.07Å; R243-A246 PolarHBondContact O-N 3.47Å; A246-Q248 VanDerWaalsContact C-N 3.34Å; A246-Q248 PolarHBondContact O-N 3.11Å; A246-A249 PolarHBondContact O-N 3.39Å; A246-A250 PolarHBondContact O-N 2.92Å
247E84.9Confident81.4Confident40 Ų4036.3 Ų36.319%0.18717%0.171CC..Hα-helixtrans-60.6-42.9176.2-66.4163.417500111.5I213 S225 R243 A250 A251I213-E247 HydrophobicContact CD1-CG 3.89Å; I213-E247 HydrophobicContact CG1-CG 4.32Å; S225-E247 WeakPolarHBondContact OG-CG 3.43Å; S225-E247 PolarHBondContact OG-N 3Å; R243-E247 HydrophobicContact CG-CG 4.47Å; R243-E247 VanDerWaalsContact CG-OE1 3.28Å; R243-E247 WeakPolarHBondContact CG-OE1 3.41Å; R243-E247 IonicContact CZ-OE1 3.73Å; R243-E247 IonicContact NE-OE1 2.85Å; R243-E247 PolarHBondContact NE-OE1 2.93Å; R243-E247 IonicContact NH2-OE1 3.76Å; R243-E247 PolarHBondContact O-N 2.89Å; E247-A250 PolarHBondContact O-N 3.15Å; E247-A251 WeakPolarHBondContact O-CB 3.31Å; E247-A251 PolarHBondContact O-N 3.43Å
248Q81.6Confident81.1Confident22 Ų2238.1 Ų38.110%0.10317%0.172CC..Hα-helixtrans-67.2-38.8177.9-73.5176.4-17.900112.8I201 Y203 L206 R244 Y245 A246 A251 L252I201-Q248 PolarHBondContact O-OE1 3.25Å; Y203-Q248 PolarHBondContact O-NE2 2.9Å; L206-Q248 HydrophobicContact CD1-CB 4.04Å; L206-Q248 HydrophobicContact CD1-CG 3.97Å; R244-Q248 WeakPolarHBondContact O-CB 3.32Å; R244-Q248 WeakPolarHBondContact O-CG 3.48Å; R244-Q248 PolarHBondContact O-N 3.17Å; Y245-Q248 PolarHBondContact O-N 3.14Å; A246-Q248 VanDerWaalsContact C-N 3.34Å; A246-Q248 PolarHBondContact O-N 3.11Å; Q248-A251 PolarHBondContact O-N 3.37Å; Q248-L252 WeakPolarHBondContact O-CB 3.27Å; Q248-L252 PolarHBondContact O-N 3.31Å
249A81.1Confident80.6Confident2 Ų240.1 Ų40.12%0.01718%0.175CC..Hα-helixtrans-64.8-44.1176.200000111.1V198 F200 Y245 A246 A251 L252 V253V198-A249 HydrophobicContact CG2-CB 3.93Å; V198-A249 WeakPolarHBondContact CG2-O 3.47Å; F200-A249 HydrophobicContact CD1-CB 3.61Å; F200-A249 HydrophobicContact CE1-CB 3.49Å; F200-A249 VanDerWaalsContact CE1-CB 3.49Å; Y245-A249 WeakPolarHBondContact O-CB 3.39Å; Y245-A249 PolarHBondContact O-N 3.04Å; A246-A249 PolarHBondContact O-N 3.39Å; A249-A251 PolarHBondContact O-N 3.17Å; A249-L252 WeakPolarHBondContact O-CB 3.34Å; A249-L252 PolarHBondContact O-N 3.41Å; A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.21Å; A249-V253 VanDerWaalsContact O-N 3.14Å
250A87.4Confident80Confident0 Ų038.4 Ų38.40%017%0.173CC..Hα-helixtrans-60.8-43.8174.300000112.5S225 V227 A246 E247 L252 V253 A254S225-A250 WeakPolarHBondContact O-CB 3.39Å; V227-A250 HydrophobicContact CB-CB 4.42Å; V227-A250 HydrophobicContact CG1-CB 3.81Å; V227-A250 HydrophobicContact CG2-CB 3.94Å; A246-A250 PolarHBondContact O-N 2.92Å; E247-A250 PolarHBondContact O-N 3.15Å; A250-L252 VanDerWaalsContact C-N 3.28Å; A250-L252 PolarHBondContact O-N 2.97Å; A250-V253 WeakPolarHBondContact O-CB 3.46Å; A250-V253 PolarHBondContact O-N 3.21Å; A250-V253 VanDerWaalsContact O-N 3.17Å; A250-A254 PolarHBondContact O-N 3Å
251A84.2Confident79.6Confident3 Ų338.7 Ų38.73%0.02517%0.174CC..Hα-helixtrans-62.9-34174.500000112.9M209 V211 E247 Q248 A249 V253 A254 I255M209-A251 HydrophobicContact CE-CB 4.16Å; V211-A251 HydrophobicContact CG1-CB 4.17Å; V211-A251 HydrophobicContact CG2-CB 4.03Å; E247-A251 WeakPolarHBondContact O-CB 3.31Å; E247-A251 PolarHBondContact O-N 3.43Å; Q248-A251 PolarHBondContact O-N 3.37Å; A249-A251 PolarHBondContact O-N 3.17Å; A251-V253 VanDerWaalsContact C-N 3.32Å; A251-A254 WeakPolarHBondContact O-CB 3.18Å; A251-A254 PolarHBondContact O-N 3.49Å; A251-I255 WeakPolarHBondContact O-CG1 3.5Å; A251-I255 PolarHBondContact O-N 3.2Å
252L81.2Confident79Confident4 Ų441 Ų412%0.02117%0.174CC..Hα-helixtrans-64.6-38.6175.3-16968.6000111.2V198 I201 Q248 A249 A250 A254 I255 F256 L264V198-L252 HydrophobicContact CB-CD2 4.15Å; V198-L252 HydrophobicContact CG1-CD2 4.4Å; V198-L252 HydrophobicContact CG2-CD2 4.44Å; I201-L252 HydrophobicContact CD1-CD1 4.48Å; I201-L252 HydrophobicContact CD1-CD2 3.5Å; I201-L252 HydrophobicContact CG1-CD2 4.21Å; Q248-L252 WeakPolarHBondContact O-CB 3.27Å; Q248-L252 PolarHBondContact O-N 3.31Å; A249-L252 WeakPolarHBondContact O-CB 3.34Å; A249-L252 PolarHBondContact O-N 3.41Å; A250-L252 VanDerWaalsContact C-N 3.28Å; A250-L252 PolarHBondContact O-N 2.97Å; L252-A254 VanDerWaalsContact C-N 3.26Å; L252-A254 PolarHBondContact O-N 3.02Å; L252-I255 HydrophobicContact CD1-CD1 4.19Å; L252-I255 WeakPolarHBondContact O-CB 3.31Å; L252-I255 PolarHBondContact O-N 3.28Å; L252-I255 VanDerWaalsContact O-N 3.11Å; L252-F256 HydrophobicContact CD1-CE2 4.33Å; L252-F256 HydrophobicContact CD2-CE2 3.78Å; L252-F256 HydrophobicContact CG-CD2 3.9Å; L252-F256 HydrophobicContact CG-CE2 3.58Å; L252-F256 WeakPolarHBondContact O-CD2 3.5Å; L252-F256 PolarHBondContact O-N 2.89Å; L252-L264 HydrophobicContact CD1-CD1 3.63Å
253V84.1Confident78.3Confident2 Ų242.5 Ų42.51%0.01218%0.184CC..Hα-helixtrans-59-39.4173.4-1750000111.3L196 V198 F234 K235 A249 A250 A251 F256 Y257L196-V253 HydrophobicContact CB-CB 4.37Å; L196-V253 HydrophobicContact CB-CG1 3.72Å; L196-V253 HydrophobicContact CB-CG2 3.84Å; V198-V253 HydrophobicContact CG1-CG2 4.26Å; V198-V253 HydrophobicContact CG2-CG2 3.82Å; F234-V253 HydrophobicContact CB-CB 4.16Å; F234-V253 HydrophobicContact CB-CG1 4.29Å; F234-V253 HydrophobicContact CD1-CG1 4.04Å; K235-V253 WeakPolarHBondContact O-CG2 3.44Å; A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.21Å; A249-V253 VanDerWaalsContact O-N 3.14Å; A250-V253 WeakPolarHBondContact O-CB 3.46Å; A250-V253 PolarHBondContact O-N 3.21Å; A250-V253 VanDerWaalsContact O-N 3.17Å; A251-V253 VanDerWaalsContact C-N 3.32Å; V253-F256 WeakPolarHBondContact O-CB 3.46Å; V253-F256 PolarHBondContact O-N 3.48Å; V253-Y257 WeakPolarHBondContact O-CB 3.35Å; V253-Y257 PolarHBondContact O-N 2.71Å
254A82.7Confident77.6Confident2 Ų236.8 Ų36.82%0.01716%0.163CC..Hα-helixtrans-63.1-45.3173.100000112V229 F234 A250 A251 L252 F256 Y257 F258V229-A254 HydrophobicContact CB-CB 4.25Å; V229-A254 HydrophobicContact CG2-CB 3.69Å; F234-A254 HydrophobicContact CB-CB 4.17Å; F234-A254 HydrophobicContact CD1-CB 4.13Å; F234-A254 HydrophobicContact CD2-CB 3.39Å; F234-A254 HydrophobicContact CE1-CB 4.43Å; F234-A254 HydrophobicContact CE2-CB 3.71Å; F234-A254 HydrophobicContact CG-CB 3.6Å; F234-A254 HydrophobicContact CZ-CB 4.21Å; A250-A254 PolarHBondContact O-N 3Å; A251-A254 WeakPolarHBondContact O-CB 3.18Å; A251-A254 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact C-N 3.26Å; L252-A254 PolarHBondContact O-N 3.02Å; A254-F256 VanDerWaalsContact C-N 3.29Å; A254-F256 PolarHBondContact O-N 2.87Å; A254-Y257 WeakPolarHBondContact O-CB 3.41Å; A254-Y257 PolarHBondContact O-N 3.04Å; A254-F258 HydrophobicContact CB-CD2 4.41Å; A254-F258 HydrophobicContact CB-CE2 4.37Å; A254-F258 WeakPolarHBondContact O-CD2 3.49Å; A254-F258 PolarHBondContact O-N 3.29Å
255I79.1Confident76.8Confident3 Ų333.2 Ų33.22%0.01516%0.157CC..Hα-helixtrans-58.1-43.1176.9-69.2161.7000111.5L206 M209 A251 L252 R259 L260 H261 L264L206-I255 HydrophobicContact CD2-CD1 3.81Å; M209-I255 HydrophobicContact CE-CD1 3.32Å; M209-I255 HydrophobicContact CE-CG1 3.37Å; M209-I255 HydrophobicContact SD-CD1 4.09Å; M209-I255 HydrophobicContact SD-CG1 3.88Å; A251-I255 WeakPolarHBondContact O-CG1 3.5Å; A251-I255 PolarHBondContact O-N 3.2Å; L252-I255 HydrophobicContact CD1-CD1 4.19Å; L252-I255 WeakPolarHBondContact O-CB 3.31Å; L252-I255 PolarHBondContact O-N 3.28Å; L252-I255 VanDerWaalsContact O-N 3.11Å; I255-R259 WeakPolarHBondContact O-CA 3.44Å; I255-R259 PolarHBondContact O-N 3.1Å; I255-L260 HydrophobicContact CG2-CB 4.15Å; I255-L260 PolarHBondContact O-N 3.45Å; I255-H261 HydrophobicContact CG2-CB 3.9Å; I255-L264 HydrophobicContact CD1-CD1 4.28Å; I255-L264 HydrophobicContact CD1-CD2 3.86Å; I255-L264 HydrophobicContact CD1-CG 4.48Å; I255-L264 HydrophobicContact CG2-CD1 3.97Å; I255-L264 HydrophobicContact CG2-CG 4.29Å
256F75.3Confident76Confident0 Ų038.6 Ų38.60%018%0.183CC..Hα-helixtrans-60.2-50.1175.9-83.2-67.3000111.4L183 L196 V198 L252 V253 A254 F258 R259 I272 F277 L284L183-F256 HydrophobicContact CD1-CZ 4.11Å; L196-F256 HydrophobicContact CD2-CB 4.23Å; L196-F256 HydrophobicContact CD2-CD2 3.64Å; L196-F256 HydrophobicContact CD2-CE2 4.02Å; L196-F256 HydrophobicContact CD2-CG 3.95Å; V198-F256 HydrophobicContact CG1-CD2 4.04Å; V198-F256 HydrophobicContact CG1-CE2 3.57Å; V198-F256 HydrophobicContact CG1-CZ 4.49Å; L252-F256 HydrophobicContact CD1-CE2 4.33Å; L252-F256 HydrophobicContact CD2-CE2 3.78Å; L252-F256 HydrophobicContact CG-CD2 3.9Å; L252-F256 HydrophobicContact CG-CE2 3.58Å; L252-F256 WeakPolarHBondContact O-CD2 3.5Å; L252-F256 PolarHBondContact O-N 2.89Å; V253-F256 WeakPolarHBondContact O-CB 3.46Å; V253-F256 PolarHBondContact O-N 3.48Å; A254-F256 VanDerWaalsContact C-N 3.29Å; A254-F256 PolarHBondContact O-N 2.87Å; F256-F258 VanDerWaalsContact C-N 3.32Å; F256-F258 PolarHBondContact O-N 3.16Å; F256-R259 PolarHBondContact O-N 2.95Å; F256-R259 VanDerWaalsContact O-N 3.12Å; F256-I272 HydrophobicContact CZ-CD1 4.35Å; F256-F277 HydrophobicContact CD1-CD2 4.37Å; F256-F277 HydrophobicContact CD1-CE2 4.07Å; F256-F277 HydrophobicContact CD1-CZ 4.29Å; F256-F277 HydrophobicContact CE1-CD1 4.27Å; F256-F277 AromaticContact CE1-CD2 3.14Å; F256-F277 HydrophobicContact CE1-CD2 3.14Å; F256-F277 HydrophobicContact CE1-CE1 4.27Å; F256-F277 AromaticContact CE1-CE2 3.07Å; F256-F277 HydrophobicContact CE1-CE2 3.07Å; F256-F277 AromaticContact CE1-CG 3.74Å; F256-F277 HydrophobicContact CE1-CG 3.74Å; F256-F277 AromaticContact CE1-CZ 3.66Å; F256-F277 HydrophobicContact CE1-CZ 3.66Å; F256-F277 HydrophobicContact CE2-CD2 4.39Å; F256-F277 AromaticContact CE2-CE2 3.85Å; F256-F277 HydrophobicContact CE2-CE2 3.85Å; F256-F277 AromaticContact CZ-CD2 3.17Å; F256-F277 HydrophobicContact CZ-CD2 3.17Å; F256-F277 AromaticContact CZ-CE2 2.94Å; F256-F277 HydrophobicContact CZ-CE2 2.94Å; F256-F277 HydrophobicContact CZ-CG 4.2Å; F256-F277 AromaticContact CZ-CZ 3.89Å; F256-F277 HydrophobicContact CZ-CZ 3.89Å; F256-L284 HydrophobicContact CB-CD1 3.98Å
257Y76.3Confident74.8Confident25 Ų2544.3 Ų44.310%0.09821%0.213CC..Hα-helixtrans-58.2-43.6-179.7-175.1-91.8000112.4H194 F232 F234 V253 A254 R259 P286H194-Y257 HydrophobicContact CB-CD2 4.46Å; H194-Y257 AromaticContact CD2-CE2 3.77Å; H194-Y257 AromaticContact CE1-CE2 3.45Å; H194-Y257 VanDerWaalsContact CE1-CE2 3.45Å; H194-Y257 WeakPolarHBondContact CE1-CE2 3.22Å; H194-Y257 AromaticContact CE1-CZ 3.95Å; H194-Y257 AromaticContact CG-CE2 3.73Å; H194-Y257 AromaticContact ND1-CE2 3.52Å; H194-Y257 AromaticContact NE2-CE2 3.6Å; H194-Y257 AromaticContact NE2-CZ 3.72Å; H194-Y257 PolarHBondContact NE2-OH 3.04Å; F232-Y257 HydrophobicContact CD1-CE1 4.17Å; F232-Y257 HydrophobicContact CE1-CE1 4.38Å; F232-Y257 WeakPolarHBondContact CE1-OH 3.22Å; F232-Y257 HydrophobicContact CG-CE1 4.45Å; F234-Y257 VanDerWaalsContact CE1-CB 3.44Å; F234-Y257 AromaticContact CE1-CD1 3.69Å; F234-Y257 HydrophobicContact CE1-CD1 3.69Å; F234-Y257 AromaticContact CE1-CD2 3.81Å; F234-Y257 HydrophobicContact CE1-CD2 3.81Å; F234-Y257 HydrophobicContact CE1-CE1 4.33Å; F234-Y257 HydrophobicContact CE1-CE2 4.4Å; F234-Y257 AromaticContact CE1-CG 3.39Å; F234-Y257 HydrophobicContact CE1-CG 3.39Å; F234-Y257 AromaticContact CZ-CD1 3.61Å; F234-Y257 HydrophobicContact CZ-CD1 3.61Å; F234-Y257 HydrophobicContact CZ-CE1 4.11Å; F234-Y257 AromaticContact CZ-CG 3.83Å; F234-Y257 HydrophobicContact CZ-CG 3.83Å; V253-Y257 WeakPolarHBondContact O-CB 3.35Å; V253-Y257 PolarHBondContact O-N 2.71Å; A254-Y257 WeakPolarHBondContact O-CB 3.41Å; A254-Y257 PolarHBondContact O-N 3.04Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-P286 HydrophobicContact CD2-CG 4.25Å; Y257-P286 HydrophobicContact CE1-CG 3.83Å; Y257-P286 HydrophobicContact CE2-CB 4.47Å; Y257-P286 HydrophobicContact CE2-CG 3.43Å; Y257-P286 VanDerWaalsContact CE2-CG 3.43Å; Y257-P286 WeakPolarHBondContact OH-CG 3.39Å
258F74.8Confident73.5Confident63 Ų6343 Ų4328%0.27621%0.208SC..THydrogen-bonded Turntrans-86.22.1178.9-64.5-61.8000114.4V229 F232 F234 A254 F256 L260V229-F258 HydrophobicContact CB-CE2 3.88Å; V229-F258 HydrophobicContact CG1-CD2 4.24Å; V229-F258 HydrophobicContact CG1-CE2 3.56Å; V229-F258 HydrophobicContact CG1-CZ 4.27Å; F232-F258 HydrophobicContact CB-CZ 4.5Å; F232-F258 HydrophobicContact CD2-CE1 4.43Å; F232-F258 HydrophobicContact CD2-CZ 4.02Å; F232-F258 HydrophobicContact CG-CZ 4.45Å; F234-F258 AromaticContact CE2-CE2 3.72Å; F234-F258 HydrophobicContact CE2-CE2 3.72Å; F234-F258 HydrophobicContact CE2-CZ 4.13Å; F234-F258 HydrophobicContact CZ-CD2 4.48Å; F234-F258 AromaticContact CZ-CE2 3.65Å; F234-F258 HydrophobicContact CZ-CE2 3.65Å; F234-F258 AromaticContact CZ-CZ 3.87Å; F234-F258 HydrophobicContact CZ-CZ 3.87Å; A254-F258 HydrophobicContact CB-CD2 4.41Å; A254-F258 HydrophobicContact CB-CE2 4.37Å; A254-F258 WeakPolarHBondContact O-CD2 3.49Å; A254-F258 PolarHBondContact O-N 3.29Å; F256-F258 VanDerWaalsContact C-N 3.32Å; F256-F258 PolarHBondContact O-N 3.16Å; F258-L260 HydrophobicContact CB-CD1 3.97Å; F258-L260 HydrophobicContact CB-CG 3.8Å; F258-L260 PolarHBondContact O-N 2.85Å; F258-L260 VanDerWaalsContact O-N 3.11Å
259R70.2Confident72.5Confident72 Ų7242.5 Ų42.527%0.27221%0.206SC..THydrogen-bonded Turntrans52.425.9-173.3-58.2-161.8-173-116.4-1.1116I255 F256 Y257 H261 A281 V282I255-R259 WeakPolarHBondContact O-CA 3.44Å; I255-R259 PolarHBondContact O-N 3.1Å; F256-R259 PolarHBondContact O-N 2.95Å; F256-R259 VanDerWaalsContact O-N 3.12Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; R259-H261 PolarHBondContact O-N 3.01Å; R259-A281 VanDerWaalsContact CZ-C 3.42Å; R259-A281 PolarHBondContact NH1-O 3.22Å; R259-A281 PolarHBondContact NH2-O 2.84Å; R259-V282 VanDerWaalsContact CZ-CA 3.5Å; R259-V282 VanDerWaalsContact NH1-CG2 3.33Å; R259-V282 VanDerWaalsContact NH1-N 3.11Å; R259-V282 PolarHBondContact NH2-O 3Å
260L71.8Confident71.3Confident63 Ų6345.9 Ų45.933%0.3323%0.226SC..G310 helixtrans-76.115.1175-57.5177.8000112.2I255 F258 K262 M263I255-L260 HydrophobicContact CG2-CB 4.15Å; I255-L260 PolarHBondContact O-N 3.45Å; F258-L260 HydrophobicContact CB-CD1 3.97Å; F258-L260 HydrophobicContact CB-CG 3.8Å; F258-L260 PolarHBondContact O-N 2.85Å; F258-L260 VanDerWaalsContact O-N 3.11Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.11Å; L260-M263 HydrophobicContact CB-CG 4.47Å; L260-M263 HydrophobicContact CB-SD 3.94Å; L260-M263 HydrophobicContact CD2-SD 3.87Å; L260-M263 HydrophobicContact CG-SD 4.35Å; L260-M263 WeakPolarHBondContact O-CB 3.31Å; L260-M263 WeakPolarHBondContact O-CG 3.3Å; L260-M263 PolarHBondContact O-N 3.02Å
261H69.7Low69.8Low6 Ų648 Ų483%0.02824%0.239CC..G310 helixtrans-74.2-27.4-167.877.5-108000111.5I255 R259 M263 L264 F277I255-H261 HydrophobicContact CG2-CB 3.9Å; R259-H261 PolarHBondContact O-N 3.01Å; H261-M263 PolarHBondContact O-N 3.2Å; H261-L264 WeakPolarHBondContact O-CB 3.46Å; H261-L264 PolarHBondContact O-N 3.32Å; H261-L264 VanDerWaalsContact O-N 3.08Å; H261-F277 HydrophobicContact CB-CD1 4.25Å; H261-F277 HydrophobicContact CB-CE1 3.23Å; H261-F277 HydrophobicContact CB-CZ 3.54Å; H261-F277 AromaticContact CD2-CD1 3.64Å; H261-F277 AromaticContact CD2-CE1 3.34Å; H261-F277 WeakPolarHBondContact CD2-CE1 3.32Å; H261-F277 AromaticContact CG-CE1 3.44Å; H261-F277 VanDerWaalsContact CG-CE1 3.44Å
262K68.4Low68.5Low138 Ų13848.3 Ų48.360%0.624%0.24SC*.G310 helixtrans-63.2-18.2167.3-65.1-179.3179.1171.10113.1L260 L264L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.11Å; K262-L264 VanDerWaalsContact C-N 3.29Å
263M66.4Low67.5Low145 Ų14549.2 Ų49.271%0.71425%0.246SC*.G310 helixtrans-81.4-9.7174.7-52.9178.767.400112.7L260 H261L260-M263 HydrophobicContact CB-CG 4.47Å; L260-M263 HydrophobicContact CB-SD 3.94Å; L260-M263 HydrophobicContact CD2-SD 3.87Å; L260-M263 HydrophobicContact CG-SD 4.35Å; L260-M263 WeakPolarHBondContact O-CB 3.31Å; L260-M263 WeakPolarHBondContact O-CG 3.3Å; L260-M263 PolarHBondContact O-N 3.02Å; H261-M263 PolarHBondContact O-N 3.2Å
264L67.4Low66.3Low14 Ų1452.8 Ų52.87%0.07326%0.26CS..SBendtrans-84.3126.1175.8-58.5175.4000109.5Y203 L252 I255 H261 K262 Q266 L269 F277Y203-L264 HydrophobicContact CD2-CD2 4.42Å; Y203-L264 HydrophobicContact CE2-CB 4.24Å; Y203-L264 HydrophobicContact CE2-CD2 3.52Å; Y203-L264 HydrophobicContact CE2-CG 4.37Å; L252-L264 HydrophobicContact CD1-CD1 3.63Å; I255-L264 HydrophobicContact CD1-CD1 4.28Å; I255-L264 HydrophobicContact CD1-CD2 3.86Å; I255-L264 HydrophobicContact CD1-CG 4.48Å; I255-L264 HydrophobicContact CG2-CD1 3.97Å; I255-L264 HydrophobicContact CG2-CG 4.29Å; H261-L264 WeakPolarHBondContact O-CB 3.46Å; H261-L264 PolarHBondContact O-N 3.32Å; H261-L264 VanDerWaalsContact O-N 3.08Å; K262-L264 VanDerWaalsContact C-N 3.29Å; L264-Q266 PolarHBondContact O-N 2.87Å; L264-L269 HydrophobicContact CD1-CD2 4.12Å; L264-F277 HydrophobicContact CD1-CZ 4.08Å
265P63.9Low65.4Low55 Ų5560 Ų6036%0.35729%0.293SS..  trans-55.6137.9168.1-23.936.5000110.3Y203 I267 C268Y203-P265 WeakPolarHBondContact OH-CD 3.46Å; P265-I267 HydrophobicContact CB-CG2 3.96Å; P265-I267 PolarHBondContact O-N 3.12Å; P265-C268 WeakPolarHBondContact O-CB 3.39Å; P265-C268 PolarHBondContact O-N 3Å; P265-C268 PolarHBondContact O-SG 3.4Å
266Q61.5Low64.6Low151 Ų15162.4 Ų62.471%0.70631%0.306SS*.G310 helixtrans-55.5-32.2-176-168.6-178.13.600113.6L264 C268 L269L264-Q266 PolarHBondContact O-N 2.87Å; Q266-C268 PolarHBondContact O-N 2.84Å; Q266-L269 PolarHBondContact O-N 2.79Å
267I57.9Low64Low121 Ų12162.4 Ų62.462%0.62131%0.306SS*.G310 helixtrans-56-16.6175.2-167.7164.7000113.4P265 T270P265-I267 HydrophobicContact CB-CG2 3.96Å; P265-I267 PolarHBondContact O-N 3.12Å; I267-T270 WeakPolarHBondContact O-CG2 3.44Å
268C57.4Low63.4Low11 Ų1165 Ų657%0.07432%0.319CS..G310 helixtrans-86.4-21.6-179.1-64.10000112.9I201 Y203 P265 Q266 T270I201-C268 WeakPolarHBondContact CD1-O 3.49Å; I201-C268 WeakPolarHBondContact CG2-O 3.08Å; Y203-C268 HydrophobicContact CD2-CB 3.16Å; Y203-C268 WeakPolarHBondContact CD2-SG 3.37Å; Y203-C268 HydrophobicContact CE2-CB 2.97Å; Y203-C268 WeakPolarHBondContact CE2-SG 3.27Å; Y203-C268 HydrophobicContact CG-CB 4.35Å; Y203-C268 VanDerWaalsContact CZ-SG 3.53Å; P265-C268 WeakPolarHBondContact O-CB 3.39Å; P265-C268 PolarHBondContact O-N 3Å; P265-C268 PolarHBondContact O-SG 3.4Å; Q266-C268 PolarHBondContact O-N 2.84Å; C268-T270 PolarHBondContact O-N 2.99Å
269L62.6Low63Low12 Ų1266.1 Ų66.16%0.06333%0.331CS..  trans-101.746.1-179.2-56.7176.5000111.4I201 L264 Q266 V271 I272 W274 F277I201-L269 HydrophobicContact CD1-CD2 3.62Å; L264-L269 HydrophobicContact CD1-CD2 4.12Å; Q266-L269 PolarHBondContact O-N 2.79Å; L269-V271 PolarHBondContact O-N 2.93Å; L269-V271 VanDerWaalsContact O-N 3.07Å; L269-I272 PolarHBondContact O-N 3.19Å; L269-W274 HydrophobicContact CD1-CE3 3.62Å; L269-W274 HydrophobicContact CD1-CZ3 3.43Å; L269-W274 VanDerWaalsContact CD1-CZ3 3.43Å; L269-F277 HydrophobicContact CD1-CD1 3.68Å; L269-F277 HydrophobicContact CD1-CD2 3.75Å; L269-F277 HydrophobicContact CD1-CE1 3.31Å; L269-F277 HydrophobicContact CD1-CE2 3.48Å; L269-F277 VanDerWaalsContact CD1-CE2 3.48Å; L269-F277 HydrophobicContact CD1-CG 3.87Å; L269-F277 HydrophobicContact CD1-CZ 3.28Å; L269-F277 HydrophobicContact CD2-CD2 4.04Å; L269-F277 HydrophobicContact CD2-CE2 3.32Å; L269-F277 HydrophobicContact CD2-CZ 3.65Å; L269-F277 HydrophobicContact CG-CD2 4.45Å; L269-F277 HydrophobicContact CG-CE2 4.02Å; L269-F277 HydrophobicContact CG-CZ 4.09Å
270T55.5Low62.7Low74 Ų7462.8 Ų62.845%0.45432%0.318SS..THydrogen-bonded Turntrans-69-7.4-17544.20000114.5R175 I267 C268R175-T270 PolarHBondContact NH2-O 3.36Å; I267-T270 WeakPolarHBondContact O-CG2 3.44Å; C268-T270 PolarHBondContact O-N 2.99Å
271V55.7Low62.3Low44 Ų4459.8 Ų59.827%0.26730%0.303SS..THydrogen-bonded Turntrans-119.9-3.5-173.5-141.30000112.5P199 L269P199-V271 HydrophobicContact CG-CB 4.42Å; L269-V271 PolarHBondContact O-N 2.93Å; L269-V271 VanDerWaalsContact O-N 3.07Å
272I56.7Low62.1Low10 Ų1063.9 Ų63.95%0.05133%0.328CS..SBendtrans-130.4118.1-176.6-52.1172.7000107.6L183 P199 I201 F256 L269 W274 F277L183-I272 HydrophobicContact CD1-CD1 4.22Å; L183-I272 HydrophobicContact CD1-CG2 3.95Å; P199-I272 HydrophobicContact CG-CD1 4.02Å; P199-I272 HydrophobicContact CG-CG1 3.8Å; I201-I272 HydrophobicContact CD1-CD1 4.46Å; F256-I272 HydrophobicContact CZ-CD1 4.35Å; L269-I272 PolarHBondContact O-N 3.19Å; I272-W274 PolarHBondContact O-N 3.4Å; I272-F277 HydrophobicContact CB-CD2 4.5Å; I272-F277 HydrophobicContact CD1-CD2 4.41Å; I272-F277 HydrophobicContact CG2-CB 4.12Å; I272-F277 HydrophobicContact CG2-CD2 4.1Å
273P59.1Low61.9Low22 Ų2260.5 Ų60.514%0.14332%0.322CS..  trans-52.9133.9172.6-25.834.5000110.6V179 E275 D276 F277V179-P273 HydrophobicContact CB-CG 4.47Å; V179-P273 VanDerWaalsContact CG1-CD 3.49Å; V179-P273 HydrophobicContact CG1-CG 3.91Å; P273-E275 PolarHBondContact O-N 3.46Å; P273-D276 HydrophobicContact CB-CB 4.34Å; P273-D276 WeakPolarHBondContact CG-OD2 3.32Å; P273-D276 PolarHBondContact O-N 2.92Å; P273-D276 VanDerWaalsContact O-N 3.15Å; P273-F277 WeakPolarHBondContact O-CB 3.3Å; P273-F277 PolarHBondContact O-N 2.95Å
274W60.7Low61.7Low78 Ų7853.9 Ų53.930%0.29529%0.289SS..Hα-helixtrans-59.2-32.7-176-174.7-91000112.4L269 I272 F277 E278L269-W274 HydrophobicContact CD1-CE3 3.62Å; L269-W274 HydrophobicContact CD1-CZ3 3.43Å; L269-W274 VanDerWaalsContact CD1-CZ3 3.43Å; I272-W274 PolarHBondContact O-N 3.4Å; W274-F277 HydrophobicContact CE3-CD1 4.47Å; W274-F277 HydrophobicContact CZ3-CD1 4.48Å; W274-F277 HydrophobicContact CZ3-CE1 4.4Å; W274-F277 VanDerWaalsContact O-CB 3.28Å; W274-F277 WeakPolarHBondContact O-CB 3.34Å; W274-F277 PolarHBondContact O-N 2.97Å; W274-E278 VanDerWaalsContact NE1-CD 3.32Å; W274-E278 PolarHBondContact NE1-OE1 2.8Å; W274-E278 PolarHBondContact O-N 2.93Å
275E63Low61.3Low154 Ų15461.7 Ų61.772%0.7232%0.318SS*.Hα-helixtrans-68.1-41.2178.1-63.3172.5-170.200112.3P273 F277 E278 T279P273-E275 PolarHBondContact O-N 3.46Å; E275-F277 VanDerWaalsContact C-N 3.26Å; E275-F277 PolarHBondContact O-N 3.21Å; E275-E278 PolarHBondContact O-N 2.75Å; E275-T279 WeakPolarHBondContact O-CB 3.38Å; E275-T279 PolarHBondContact O-N 2.85Å; E275-T279 PolarHBondContact O-OG1 3.21Å
276D61.5Low60.8Low52 Ų5261 Ų6128%0.27831%0.313SS..Hα-helixtrans-66-35173.8-69.4-25.7000111P273 T280P273-D276 HydrophobicContact CB-CB 4.34Å; P273-D276 WeakPolarHBondContact CG-OD2 3.32Å; P273-D276 PolarHBondContact O-N 2.92Å; P273-D276 VanDerWaalsContact O-N 3.15Å; D276-T280 VanDerWaalsContact O-CB 3.24Å; D276-T280 WeakPolarHBondContact O-CB 3.11Å; D276-T280 PolarHBondContact O-N 3.48Å; D276-T280 PolarHBondContact O-OG1 3.46Å
277F63.1Low60.5Low0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-66.1-46.5178.5-169.1-98.1000111.6F256 H261 L264 L269 I272 P273 W274 E275 A281F256-F277 HydrophobicContact CD1-CD2 4.37Å; F256-F277 HydrophobicContact CD1-CE2 4.07Å; F256-F277 HydrophobicContact CD1-CZ 4.29Å; F256-F277 HydrophobicContact CE1-CD1 4.27Å; F256-F277 AromaticContact CE1-CD2 3.14Å; F256-F277 HydrophobicContact CE1-CD2 3.14Å; F256-F277 HydrophobicContact CE1-CE1 4.27Å; F256-F277 AromaticContact CE1-CE2 3.07Å; F256-F277 HydrophobicContact CE1-CE2 3.07Å; F256-F277 AromaticContact CE1-CG 3.74Å; F256-F277 HydrophobicContact CE1-CG 3.74Å; F256-F277 AromaticContact CE1-CZ 3.66Å; F256-F277 HydrophobicContact CE1-CZ 3.66Å; F256-F277 HydrophobicContact CE2-CD2 4.39Å; F256-F277 AromaticContact CE2-CE2 3.85Å; F256-F277 HydrophobicContact CE2-CE2 3.85Å; F256-F277 AromaticContact CZ-CD2 3.17Å; F256-F277 HydrophobicContact CZ-CD2 3.17Å; F256-F277 AromaticContact CZ-CE2 2.94Å; F256-F277 HydrophobicContact CZ-CE2 2.94Å; F256-F277 HydrophobicContact CZ-CG 4.2Å; F256-F277 AromaticContact CZ-CZ 3.89Å; F256-F277 HydrophobicContact CZ-CZ 3.89Å; H261-F277 HydrophobicContact CB-CD1 4.25Å; H261-F277 HydrophobicContact CB-CE1 3.23Å; H261-F277 HydrophobicContact CB-CZ 3.54Å; H261-F277 AromaticContact CD2-CD1 3.64Å; H261-F277 AromaticContact CD2-CE1 3.34Å; H261-F277 WeakPolarHBondContact CD2-CE1 3.32Å; H261-F277 AromaticContact CG-CE1 3.44Å; H261-F277 VanDerWaalsContact CG-CE1 3.44Å; L264-F277 HydrophobicContact CD1-CZ 4.08Å; L269-F277 HydrophobicContact CD1-CD1 3.68Å; L269-F277 HydrophobicContact CD1-CD2 3.75Å; L269-F277 HydrophobicContact CD1-CE1 3.31Å; L269-F277 HydrophobicContact CD1-CE2 3.48Å; L269-F277 VanDerWaalsContact CD1-CE2 3.48Å; L269-F277 HydrophobicContact CD1-CG 3.87Å; L269-F277 HydrophobicContact CD1-CZ 3.28Å; L269-F277 HydrophobicContact CD2-CD2 4.04Å; L269-F277 HydrophobicContact CD2-CE2 3.32Å; L269-F277 HydrophobicContact CD2-CZ 3.65Å; L269-F277 HydrophobicContact CG-CD2 4.45Å; L269-F277 HydrophobicContact CG-CE2 4.02Å; L269-F277 HydrophobicContact CG-CZ 4.09Å; I272-F277 HydrophobicContact CB-CD2 4.5Å; I272-F277 HydrophobicContact CD1-CD2 4.41Å; I272-F277 HydrophobicContact CG2-CB 4.12Å; I272-F277 HydrophobicContact CG2-CD2 4.1Å; P273-F277 WeakPolarHBondContact O-CB 3.3Å; P273-F277 PolarHBondContact O-N 2.95Å; W274-F277 HydrophobicContact CE3-CD1 4.47Å; W274-F277 HydrophobicContact CZ3-CD1 4.48Å; W274-F277 HydrophobicContact CZ3-CE1 4.4Å; W274-F277 VanDerWaalsContact O-CB 3.28Å; W274-F277 WeakPolarHBondContact O-CB 3.34Å; W274-F277 PolarHBondContact O-N 2.97Å; E275-F277 VanDerWaalsContact C-N 3.26Å; E275-F277 PolarHBondContact O-N 3.21Å; F277-A281 WeakPolarHBondContact O-CB 3.33Å; F277-A281 PolarHBondContact O-N 3.49Å
278E63.6Low60Low81 Ų8160 Ų6038%0.37931%0.311SS..Hα-helixtrans-65.7-46.9174.1-77.5-171.7170.700111.9W274 E275 T280 A281 V282W274-E278 VanDerWaalsContact NE1-CD 3.32Å; W274-E278 PolarHBondContact NE1-OE1 2.8Å; W274-E278 PolarHBondContact O-N 2.93Å; E275-E278 PolarHBondContact O-N 2.75Å; E278-T280 VanDerWaalsContact C-N 3.31Å; E278-T280 PolarHBondContact O-N 2.83Å; E278-A281 PolarHBondContact O-N 2.84Å; E278-V282 VanDerWaalsContact O-CG2 3.28Å; E278-V282 WeakPolarHBondContact O-CG2 3.39Å; E278-V282 PolarHBondContact O-N 2.94Å
279T66.7Low59.7Low86 Ų8665.9 Ų65.953%0.52835%0.347SS..Hα-helixtrans-60.4-42.5-179.8-56.60000111.5E275 V282 S283E275-T279 WeakPolarHBondContact O-CB 3.38Å; E275-T279 PolarHBondContact O-N 2.85Å; E275-T279 PolarHBondContact O-OG1 3.21Å; T279-V282 WeakPolarHBondContact O-CB 3.49Å; T279-V282 PolarHBondContact O-N 3.25Å; T279-S283 PolarHBondContact O-N 3.38Å
280T63.7Low59Low1 Ų168.2 Ų68.21%0.00636%0.364CS..Hα-helixtrans-62.9-50.3175-600000110.6L183 L196 D276 E278 V282 S283 L284L183-T280 HydrophobicContact CB-CG2 3.66Å; L183-T280 WeakPolarHBondContact CB-OG1 3.43Å; L183-T280 HydrophobicContact CD1-CG2 4.49Å; L196-T280 HydrophobicContact CD1-CG2 4.29Å; L196-T280 HydrophobicContact CD2-CG2 4.3Å; D276-T280 VanDerWaalsContact O-CB 3.24Å; D276-T280 WeakPolarHBondContact O-CB 3.11Å; D276-T280 PolarHBondContact O-N 3.48Å; D276-T280 PolarHBondContact O-OG1 3.46Å; E278-T280 VanDerWaalsContact C-N 3.31Å; E278-T280 PolarHBondContact O-N 2.83Å; T280-V282 PolarHBondContact O-N 3.48Å; T280-S283 PolarHBondContact O-N 3.19Å; T280-S283 PolarHBondContact O-OG 3.13Å; T280-L284 HydrophobicContact CG2-CD1 3.81Å; T280-L284 HydrophobicContact CG2-CG 4.17Å; T280-L284 VanDerWaalsContact O-CG 3.27Å; T280-L284 WeakPolarHBondContact O-CG 3.38Å; T280-L284 PolarHBondContact O-N 3.24Å
281A64Low58.3Low1 Ų169 Ų691%0.00837%0.372CS..Hα-helixtrans-55.8-38.7177.100000111.4R259 F277 E278R259-A281 VanDerWaalsContact CZ-C 3.42Å; R259-A281 PolarHBondContact NH1-O 3.22Å; R259-A281 PolarHBondContact NH2-O 2.84Å; F277-A281 WeakPolarHBondContact O-CB 3.33Å; F277-A281 PolarHBondContact O-N 3.49Å; E278-A281 PolarHBondContact O-N 2.84Å
282V65.7Low57.9Low92 Ų9268.8 Ų68.856%0.55838%0.378SS*.Hα-helixtrans-55.5-49.2173.3176.70000112.6R259 E278 T279 T280 L284R259-V282 VanDerWaalsContact CZ-CA 3.5Å; R259-V282 VanDerWaalsContact NH1-CG2 3.33Å; R259-V282 VanDerWaalsContact NH1-N 3.11Å; R259-V282 PolarHBondContact NH2-O 3Å; E278-V282 VanDerWaalsContact O-CG2 3.28Å; E278-V282 WeakPolarHBondContact O-CG2 3.39Å; E278-V282 PolarHBondContact O-N 2.94Å; T279-V282 WeakPolarHBondContact O-CB 3.49Å; T279-V282 PolarHBondContact O-N 3.25Å; T280-V282 PolarHBondContact O-N 3.48Å; V282-L284 PolarHBondContact O-N 2.66Å
283S63.9Low57.5Low66 Ų6671.4 Ų71.446%0.46240%0.397SS..Hα-helixtrans-72.6-22.6-175.768.70000115.7A184 T279 T280 R285A184-S283 WeakPolarHBondContact CB-OG 3.37Å; T279-S283 PolarHBondContact O-N 3.38Å; T280-S283 PolarHBondContact O-N 3.19Å; T280-S283 PolarHBondContact O-OG 3.13Å; S283-R285 PolarHBondContact O-N 2.87Å; S283-R285 VanDerWaalsContact O-N 3.16Å
284L63.2Low56.8Low6 Ų675.6 Ų75.63%0.03142%0.418CS..THydrogen-bonded Turntrans-79.78.6-170.3-73.6178.1000115.6Y187 L196 F256 T280 V282 P286Y187-L284 HydrophobicContact CD1-CD2 3.4Å; Y187-L284 VanDerWaalsContact CD1-CD2 3.4Å; Y187-L284 HydrophobicContact CD2-CD2 3.19Å; Y187-L284 HydrophobicContact CE1-CD2 3.86Å; Y187-L284 HydrophobicContact CE2-CD2 3.67Å; Y187-L284 HydrophobicContact CG-CD2 3Å; L196-L284 HydrophobicContact CD2-CD1 4.16Å; F256-L284 HydrophobicContact CB-CD1 3.98Å; T280-L284 HydrophobicContact CG2-CD1 3.81Å; T280-L284 HydrophobicContact CG2-CG 4.17Å; T280-L284 VanDerWaalsContact O-CG 3.27Å; T280-L284 WeakPolarHBondContact O-CG 3.38Å; T280-L284 PolarHBondContact O-N 3.24Å; V282-L284 PolarHBondContact O-N 2.66Å; L284-P286 VanDerWaalsContact O-CD 3.27Å; L284-P286 WeakPolarHBondContact O-CD 3.45Å
285R57.7Low56Low179 Ų17979.3 Ų79.368%0.67544%0.438SS*.  trans-56.6119.6-170.3-147.7-166.8-172.3179.13.6111.3S283S283-R285 PolarHBondContact O-N 2.87Å; S283-R285 VanDerWaalsContact O-N 3.16Å
286P53.6Low55.1Low40 Ų4080.5 Ų80.526%0.2644%0.437SS..  trans-71.1143.9153.2-3.122.8000106.5Y257 L284 C288Y257-P286 HydrophobicContact CD2-CG 4.25Å; Y257-P286 HydrophobicContact CE1-CG 3.83Å; Y257-P286 HydrophobicContact CE2-CB 4.47Å; Y257-P286 HydrophobicContact CE2-CG 3.43Å; Y257-P286 VanDerWaalsContact CE2-CG 3.43Å; Y257-P286 WeakPolarHBondContact OH-CG 3.39Å; L284-P286 VanDerWaalsContact O-CD 3.27Å; L284-P286 WeakPolarHBondContact O-CD 3.45Å; P286-C288 HydrophobicContact CB-CB 4.44Å; P286-C288 PolarHBondContact O-N 3.17Å
287E55.8Low54Low200 Ų20082.8 Ų82.894%0.93547%0.473SS*.  trans-64.871.9166.6-66.5-179.7174.600109.4
288C47.4Very low53.6Low51 Ų5187 Ų8735%0.34550%0.497SS..  trans-104.3121-179.2-166.40000108.7P286P286-C288 HydrophobicContact CB-CB 4.44Å; P286-C288 PolarHBondContact O-N 3.17Å
289T50.2Low53Low134 Ų13487.3 Ų87.382%0.82250%0.503SS*.  trans-98.99.9-178.250.50000112.9
290C47.4Very low52.3Low62 Ų6287.3 Ų87.342%0.41950%0.502SS..  trans-74.7142.8-178.479.40000111.5G292 C293C290-G292 VanDerWaalsContact C-N 3.27Å; C290-G292 PolarHBondContact O-N 2.83Å; C290-C293 PolarHBondContact O-N 3.35Å; C290-C293 VanDerWaalsContact O-N 3.08Å; C290-C293 PolarHBondContact SG-SG 3.08Å
291S42.1Very low51.6Low91 Ų9192.4 Ų92.464%0.63653%0.531SS*.Hα-helixtrans-55.7-37.5-175.7450000113.4C293 L294 E295S291-C293 VanDerWaalsContact C-N 3.31Å; S291-C293 PolarHBondContact O-N 3.45Å; S291-L294 PolarHBondContact O-N 3.23Å; S291-L294 VanDerWaalsContact O-N 3.13Å; S291-E295 PolarHBondContact O-N 3.22Å
292G47.8Very low50.8Low38 Ų3898.1 Ų98.139%0.39256%0.564SS.*Hα-helixtrans-66.3-27.317900000114.6C290 L294C290-G292 VanDerWaalsContact C-N 3.27Å; C290-G292 PolarHBondContact O-N 2.83Å; G292-L294 VanDerWaalsContact C-N 3.35Å
293C46.6Very low49.8Very low66 Ų6698.5 Ų98.545%0.44656%0.564SS.*Hα-helixtrans-81-16.4175.1-72.30000113C290 S291C290-C293 PolarHBondContact O-N 3.35Å; C290-C293 VanDerWaalsContact O-N 3.08Å; C290-C293 PolarHBondContact SG-SG 3.08Å; S291-C293 VanDerWaalsContact C-N 3.31Å; S291-C293 PolarHBondContact O-N 3.45Å
294L44.5Very low48.8Very low110 Ų110100.9 Ų100.958%0.57657%0.571SS**Hα-helixtrans-89.6-29.3177.5-68.1168.6000112.3S291 G292 Y296S291-L294 PolarHBondContact O-N 3.23Å; S291-L294 VanDerWaalsContact O-N 3.13Å; G292-L294 VanDerWaalsContact C-N 3.35Å; L294-Y296 PolarHBondContact O-N 3.37Å
295E44.5Very low47.7Very low155 Ų155108.2 Ų108.272%0.72461%0.613SS**THydrogen-bonded Turntrans-74.8-18.8-178.1-77.1-180167.300114.7S291S291-E295 PolarHBondContact O-N 3.22Å
296Y44Very low46.9Very low180 Ų180102.3 Ų102.371%0.70661%0.608SS**THydrogen-bonded Turntrans-112.316.4179-69.7-84000113.9L294L294-Y296 PolarHBondContact O-N 3.37Å
297G38.8Very low46.3Very low100 Ų100107.9 Ų107.9100%1.03164%0.639SS**  trans-630175.100000113.7

Retrieved 297 of 297 residues in 392.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).