A0A5K4FDI0_SCHMA Loading...

Plexin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.5Low74.4Confident214 Ų214109.3 Ų109.3100%1.05457%0.566SS**  0-46.30-103.1-174.5152.900113.7N3 T4 L5M1-N3 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 PolarHBondContact O-OG1 3.2Å; M1-L5 PolarHBondContact O-N 2.93Å
2L62Low75.1Confident79 Ų79109.2 Ų109.241%0.41457%0.565SS.*Hα-helixtrans-63.4-35-175.8-152.773.6000114.8T4 L5 H6 F424 I428L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.17Å; L2-L5 PolarHBondContact O-N 3.45Å; L2-H6 PolarHBondContact O-N 3.16Å; L2-F424 HydrophobicContact CD1-CZ 4.4Å; L2-F424 HydrophobicContact CD2-CE1 3.87Å; L2-F424 HydrophobicContact CD2-CZ 3.87Å; L2-F424 HydrophobicContact CG-CE1 4.42Å; L2-I428 HydrophobicContact CD2-CD1 3.36Å; L2-I428 HydrophobicContact CD2-CG1 4.03Å
3N72.4Confident75.4Confident135 Ų135109.2 Ų109.272%0.72255%0.553SS**Hα-helixtrans-65.4-32.9176.5-76.24.7000113M1 F7M1-N3 PolarHBondContact O-N 3.44Å; N3-F7 PolarHBondContact O-N 3.04Å
4T76.1Confident75.5Confident87 Ų87109.4 Ų109.453%0.53455%0.549SS..Hα-helixtrans-71-35-179.4-29.80000111.1M1 L2 N8M1-T4 PolarHBondContact O-N 3.29Å; M1-T4 PolarHBondContact O-OG1 3.2Å; L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.17Å; T4-N8 VanDerWaalsContact O-CG 3.32Å; T4-N8 PolarHBondContact O-N 3.36Å; T4-N8 PolarHBondContact O-ND2 3.11Å
5L76.4Confident75.9Confident115 Ų115113.2 Ų113.260%0.60256%0.556SS**Hα-helixtrans-68.2-44.8177.1-161.480.8000111.6M1 L2 F7 N8 V9M1-L5 PolarHBondContact O-N 2.93Å; L2-L5 PolarHBondContact O-N 3.45Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.12Å; L5-N8 PolarHBondContact O-N 2.99Å; L5-V9 WeakPolarHBondContact O-CG2 3.22Å; L5-V9 PolarHBondContact O-N 3.45Å; L5-V9 VanDerWaalsContact O-N 3.08Å
6H74.9Confident76Confident59 Ų59111.8 Ų111.827%0.27355%0.551SS.*Hα-helixtrans-61.7-39.9177.3-99.2-83.7000112.7L2 V9 L10 F424L2-H6 PolarHBondContact O-N 3.16Å; H6-V9 PolarHBondContact O-N 3.3Å; H6-L10 PolarHBondContact O-N 3.43Å; H6-L10 VanDerWaalsContact O-N 3.1Å; H6-F424 AromaticContact NE2-CD1 3.61Å; H6-F424 AromaticContact NE2-CE1 3.61Å
7F76Confident76Confident134 Ų134109.4 Ų109.459%0.58854%0.539SS*.Hα-helixtrans-65.5-43.6178.4-168.2-96.5000111.9N3 L5 V9 L10 M11N3-F7 PolarHBondContact O-N 3.04Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.12Å; F7-V9 PolarHBondContact O-N 3.4Å; F7-L10 PolarHBondContact O-N 3.38Å; F7-M11 HydrophobicContact CD1-CG 4.02Å; F7-M11 HydrophobicContact CE1-CG 3.72Å; F7-M11 HydrophobicContact CE1-SD 4.32Å; F7-M11 HydrophobicContact CZ-CG 4.17Å; F7-M11 HydrophobicContact CZ-SD 4.3Å; F7-M11 WeakPolarHBondContact O-CG 3.38Å; F7-M11 PolarHBondContact O-N 3.47Å
8N81.9Confident75.9Confident85 Ų85108.1 Ų108.146%0.45553%0.534SS..Hα-helixtrans-64.4-39.1177.9-71.2-16.3000112.4T4 L5 M11 I12T4-N8 VanDerWaalsContact O-CG 3.32Å; T4-N8 PolarHBondContact O-N 3.36Å; T4-N8 PolarHBondContact O-ND2 3.11Å; L5-N8 PolarHBondContact O-N 2.99Å; N8-M11 PolarHBondContact O-N 3.31Å; N8-I12 WeakPolarHBondContact O-CD1 3.36Å; N8-I12 VanDerWaalsContact O-CG1 3.25Å; N8-I12 WeakPolarHBondContact O-CG1 3.49Å; N8-I12 PolarHBondContact O-N 3.18Å
9V79.1Confident75.8Confident92 Ų92106.6 Ų106.656%0.55853%0.528SS*.Hα-helixtrans-66.1-42.6177.5173.80000111.4L5 H6 F7 I12 W13L5-V9 WeakPolarHBondContact O-CG2 3.22Å; L5-V9 PolarHBondContact O-N 3.45Å; L5-V9 VanDerWaalsContact O-N 3.08Å; H6-V9 PolarHBondContact O-N 3.3Å; F7-V9 PolarHBondContact O-N 3.4Å; V9-I12 PolarHBondContact O-N 3.32Å; V9-W13 WeakPolarHBondContact O-CB 3.35Å; V9-W13 PolarHBondContact O-N 3.35Å
10L78.9Confident75.5Confident94 Ų94106.3 Ų106.349%0.49253%0.528SS..Hα-helixtrans-62.2-43.9174.9-92.8155.1000111.9H6 F7 W13 F14H6-L10 PolarHBondContact O-N 3.43Å; H6-L10 VanDerWaalsContact O-N 3.1Å; F7-L10 PolarHBondContact O-N 3.38Å; L10-W13 PolarHBondContact O-N 3.44Å; L10-F14 HydrophobicContact CD2-CD2 4.43Å; L10-F14 HydrophobicContact CD2-CE2 4.1Å; L10-F14 WeakPolarHBondContact O-CD2 3.49Å; L10-F14 PolarHBondContact O-N 3.46Å
11M81Confident75.2Confident108 Ų108109.8 Ų109.853%0.53254%0.537SS..Hα-helixtrans-63-43.8177.9-74.9-65.2-67.900112.3F7 N8 W13 F14 Y15F7-M11 HydrophobicContact CD1-CG 4.02Å; F7-M11 HydrophobicContact CE1-CG 3.72Å; F7-M11 HydrophobicContact CE1-SD 4.32Å; F7-M11 HydrophobicContact CZ-CG 4.17Å; F7-M11 HydrophobicContact CZ-SD 4.3Å; F7-M11 WeakPolarHBondContact O-CG 3.38Å; F7-M11 PolarHBondContact O-N 3.47Å; N8-M11 PolarHBondContact O-N 3.31Å; M11-W13 VanDerWaalsContact C-N 3.31Å; M11-W13 PolarHBondContact O-N 3.41Å; M11-F14 PolarHBondContact O-N 3.48Å; M11-Y15 WeakPolarHBondContact O-CB 3.26Å; M11-Y15 PolarHBondContact O-N 2.93Å
12I83.6Confident75.1Confident108 Ų108106.1 Ų106.155%0.55452%0.515SS*.Hα-helixtrans-62.7-41.1175.8-69.1165.3000110.5N8 V9 Y15 L16N8-I12 WeakPolarHBondContact O-CD1 3.36Å; N8-I12 VanDerWaalsContact O-CG1 3.25Å; N8-I12 WeakPolarHBondContact O-CG1 3.49Å; N8-I12 PolarHBondContact O-N 3.18Å; V9-I12 PolarHBondContact O-N 3.32Å; I12-Y15 PolarHBondContact O-N 3.24Å; I12-L16 HydrophobicContact CG2-CD1 4.16Å; I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 PolarHBondContact O-N 3.47Å
13W77.9Confident74.8Confident110 Ų110106.1 Ų106.142%0.41752%0.515SS..Hα-helixtrans-66-44.9178.5-173.688000112.6V9 L10 M11 Y15 L16 M17V9-W13 WeakPolarHBondContact O-CB 3.35Å; V9-W13 PolarHBondContact O-N 3.35Å; L10-W13 PolarHBondContact O-N 3.44Å; M11-W13 VanDerWaalsContact C-N 3.31Å; M11-W13 PolarHBondContact O-N 3.41Å; W13-Y15 VanDerWaalsContact C-N 3.29Å; W13-Y15 PolarHBondContact O-N 2.9Å; W13-L16 PolarHBondContact O-N 3.41Å; W13-M17 HydrophobicContact CD2-CG 4.03Å; W13-M17 HydrophobicContact CE3-CG 4.15Å; W13-M17 HydrophobicContact CH2-CE 4.4Å; W13-M17 HydrophobicContact CH2-CG 3.97Å; W13-M17 HydrophobicContact CZ2-CE 3.52Å; W13-M17 HydrophobicContact CZ2-CG 3.85Å; W13-M17 HydrophobicContact CZ2-SD 4.38Å; W13-M17 HydrophobicContact CZ3-CG 4.11Å; W13-M17 WeakPolarHBondContact O-CG 3.44Å; W13-M17 PolarHBondContact O-N 3.34Å
14F77.5Confident73.8Confident111 Ų111103.9 Ų103.949%0.48750%0.5SS..Hα-helixtrans-62-37.7174-91.8-73.9000112.1L10 M11 N18L10-F14 HydrophobicContact CD2-CD2 4.43Å; L10-F14 HydrophobicContact CD2-CE2 4.1Å; L10-F14 WeakPolarHBondContact O-CD2 3.49Å; L10-F14 PolarHBondContact O-N 3.46Å; M11-F14 PolarHBondContact O-N 3.48Å; F14-N18 WeakPolarHBondContact O-CB 3.49Å; F14-N18 PolarHBondContact O-N 3.23Å; F14-N18 PolarHBondContact O-ND2 2.95Å
15Y81Confident72.5Confident167 Ų167102.8 Ų102.866%0.65550%0.496SS*.Hα-helixtrans-65.2-44.2175.1-168.4-96000111.4M11 I12 W13 N18 L19M11-Y15 WeakPolarHBondContact O-CB 3.26Å; M11-Y15 PolarHBondContact O-N 2.93Å; I12-Y15 PolarHBondContact O-N 3.24Å; W13-Y15 VanDerWaalsContact C-N 3.29Å; W13-Y15 PolarHBondContact O-N 2.9Å; Y15-N18 PolarHBondContact O-N 3.43Å; Y15-L19 HydrophobicContact CE1-CD1 4.16Å; Y15-L19 WeakPolarHBondContact O-CB 3.22Å; Y15-L19 PolarHBondContact O-N 3.39Å
16L77.6Confident71.2Confident91 Ų91100.7 Ų100.748%0.47649%0.488SS..Hα-helixtrans-64.1-42.4176.8-113.8140.9000112.7I12 W13 L19 L20I12-L16 HydrophobicContact CG2-CD1 4.16Å; I12-L16 WeakPolarHBondContact O-CB 3.49Å; I12-L16 PolarHBondContact O-N 3.47Å; W13-L16 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.99Å; L16-L20 HydrophobicContact CD2-CD1 4.39Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.24Å
17M76.2Confident69.8Low71 Ų71103.8 Ų103.835%0.3551%0.506SS..Hα-helixtrans-65.7-41.1177-75-62.5174.200112W13 L20 Y21W13-M17 HydrophobicContact CD2-CG 4.03Å; W13-M17 HydrophobicContact CE3-CG 4.15Å; W13-M17 HydrophobicContact CH2-CE 4.4Å; W13-M17 HydrophobicContact CH2-CG 3.97Å; W13-M17 HydrophobicContact CZ2-CE 3.52Å; W13-M17 HydrophobicContact CZ2-CG 3.85Å; W13-M17 HydrophobicContact CZ2-SD 4.38Å; W13-M17 HydrophobicContact CZ3-CG 4.11Å; W13-M17 WeakPolarHBondContact O-CG 3.44Å; W13-M17 PolarHBondContact O-N 3.34Å; M17-L20 PolarHBondContact O-N 3.04Å; M17-Y21 VanDerWaalsContact O-CB 3.29Å; M17-Y21 WeakPolarHBondContact O-CB 3.25Å; M17-Y21 PolarHBondContact O-N 3.46Å
18N74.4Confident68.6Low85 Ų85105.2 Ų105.246%0.45551%0.512SS..Hα-helixtrans-63.4-44.7172.2-81.6-56.5000111.2F14 Y15 L20 Y21 F22F14-N18 WeakPolarHBondContact O-CB 3.49Å; F14-N18 PolarHBondContact O-N 3.23Å; F14-N18 PolarHBondContact O-ND2 2.95Å; Y15-N18 PolarHBondContact O-N 3.43Å; N18-L20 VanDerWaalsContact C-N 3.31Å; N18-L20 PolarHBondContact O-N 2.98Å; N18-Y21 PolarHBondContact O-N 2.92Å; N18-F22 WeakPolarHBondContact O-CB 3.39Å; N18-F22 VanDerWaalsContact O-CD2 3.29Å; N18-F22 WeakPolarHBondContact O-CD2 3.48Å; N18-F22 PolarHBondContact O-N 2.96Å
19L73.6Confident67.2Low81 Ų81105.8 Ų105.842%0.42451%0.513SS..Hα-helixtrans-60.5-41.3178.2-154.694.6000111.7Y15 L16 N23Y15-L19 HydrophobicContact CE1-CD1 4.16Å; Y15-L19 WeakPolarHBondContact O-CB 3.22Å; Y15-L19 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 2.99Å; L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 3.4Å; L19-N23 PolarHBondContact O-ND2 3.08Å
20L70.5Confident65.6Low100 Ų100107 Ų10752%0.52452%0.516SS..Hα-helixtrans-67.9-41.9176.3-74.1169.9000112.2L16 M17 N18 N23 H24L16-L20 HydrophobicContact CD2-CD1 4.39Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.24Å; M17-L20 PolarHBondContact O-N 3.04Å; N18-L20 VanDerWaalsContact C-N 3.31Å; N18-L20 PolarHBondContact O-N 2.98Å; L20-N23 PolarHBondContact O-N 3.46Å; L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 2.98Å
21Y68.2Low63.9Low180 Ų180109.6 Ų109.671%0.70653%0.531SS*.Hα-helixtrans-65-44.2177.7-170.1-96.4000111.7M17 N18 H24 S25M17-Y21 VanDerWaalsContact O-CB 3.29Å; M17-Y21 WeakPolarHBondContact O-CB 3.25Å; M17-Y21 PolarHBondContact O-N 3.46Å; N18-Y21 PolarHBondContact O-N 2.92Å; Y21-H24 PolarHBondContact O-N 3.41Å; Y21-S25 PolarHBondContact O-N 3.37Å
22F58.3Low62.1Low137 Ų137109.4 Ų109.460%0.60154%0.536SS*.Hα-helixtrans-69.4-35.4175.5-87.7-76.7000113.1N18 H24 S25 T26N18-F22 WeakPolarHBondContact O-CB 3.39Å; N18-F22 VanDerWaalsContact O-CD2 3.29Å; N18-F22 WeakPolarHBondContact O-CD2 3.48Å; N18-F22 PolarHBondContact O-N 2.96Å; F22-H24 VanDerWaalsContact C-N 3.35Å; F22-S25 PolarHBondContact O-N 3.1Å; F22-S25 PolarHBondContact O-OG 3.2Å; F22-T26 PolarHBondContact O-N 3.16Å; F22-T26 PolarHBondContact O-OG1 3.28Å
23N55.1Low60.2Low78 Ų78111.4 Ų111.442%0.41755%0.547SS..Hα-helixtrans-69.4-34.4174.3-78.7-19.8000111.5L19 L20 S25 T26 I27L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 3.4Å; L19-N23 PolarHBondContact O-ND2 3.08Å; L20-N23 PolarHBondContact O-N 3.46Å; N23-S25 VanDerWaalsContact C-N 3.34Å; N23-S25 PolarHBondContact O-N 3.47Å; N23-T26 VanDerWaalsContact CA-OG1 3.27Å; N23-T26 WeakPolarHBondContact CA-OG1 3.28Å; N23-T26 PolarHBondContact O-N 3.04Å; N23-T26 PolarHBondContact O-OG1 3.45Å; N23-T26 VanDerWaalsContact O-OG1 3.13Å; N23-I27 HydrophobicContact CB-CD1 4.48Å; N23-I27 WeakPolarHBondContact O-CB 3.42Å; N23-I27 WeakPolarHBondContact O-CD1 3.29Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 2.7Å
24H50.8Low58.8Low89 Ų89112.8 Ų112.841%0.41256%0.562SS.*Hα-helixtrans-68.3-32.7177.2-169.3-78.8000112.6L20 Y21 F22L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 2.98Å; Y21-H24 PolarHBondContact O-N 3.41Å; F22-H24 VanDerWaalsContact C-N 3.35Å
25S50.3Low57.7Low63 Ų63115.6 Ų115.644%0.44158%0.582SS.*Hα-helixtrans-71.3-32.9172.756.10000112.4Y21 F22 N23Y21-S25 PolarHBondContact O-N 3.37Å; F22-S25 PolarHBondContact O-N 3.1Å; F22-S25 PolarHBondContact O-OG 3.2Å; N23-S25 VanDerWaalsContact C-N 3.34Å; N23-S25 PolarHBondContact O-N 3.47Å
26T47.9Very low56.5Low72 Ų72114.3 Ų114.344%0.44258%0.582SS.*Hα-helixtrans-80.4-29.1176.533.30000113.9F22 N23 K28 I29F22-T26 PolarHBondContact O-N 3.16Å; F22-T26 PolarHBondContact O-OG1 3.28Å; N23-T26 VanDerWaalsContact CA-OG1 3.27Å; N23-T26 WeakPolarHBondContact CA-OG1 3.28Å; N23-T26 PolarHBondContact O-N 3.04Å; N23-T26 PolarHBondContact O-OG1 3.45Å; N23-T26 VanDerWaalsContact O-OG1 3.13Å; T26-K28 PolarHBondContact O-N 2.86Å; T26-I29 PolarHBondContact O-N 3.46Å
27I45.5Very low56.2Low124 Ų124113.6 Ų113.664%0.63658%0.581SS**Hα-helixtrans-66.8-17.9177.3-73.8164.7000112.4N23 I29N23-I27 HydrophobicContact CB-CD1 4.48Å; N23-I27 WeakPolarHBondContact O-CB 3.42Å; N23-I27 WeakPolarHBondContact O-CD1 3.29Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 2.7Å; I27-I29 PolarHBondContact O-N 2.94Å; I27-I29 VanDerWaalsContact O-N 3.15Å
28K51.1Low56.3Low164 Ų164115 Ų11571%0.71359%0.586SS**THydrogen-bonded Turntrans-64.9-10.1169.1-83.3-174.5174.1-177.40114.2T26T26-K28 PolarHBondContact O-N 2.86Å
29I53.5Low56.8Low96 Ų96112.5 Ų112.549%0.49258%0.575SS.*THydrogen-bonded Turntrans-108.5-5.8-171.4-55.8177.2000112.9T26 I27T26-I29 PolarHBondContact O-N 3.46Å; I27-I29 PolarHBondContact O-N 2.94Å; I27-I29 VanDerWaalsContact O-N 3.15Å
30L44.4Very low57.3Low118 Ų118112.8 Ų112.862%0.61857%0.574SS**  trans-106.458.9177.7-88.7107.6000113T32L30-T32 HydrophobicContact CD2-CG2 3.99Å; L30-T32 HydrophobicContact CG-CG2 4.27Å; L30-T32 PolarHBondContact O-N 3.46Å
31N44.2Very low57.9Low148 Ų148110.6 Ų110.679%0.79156%0.562SS**  trans-86.879.7144.4-93.6-2.4000106.9D33N31-D33 PolarHBondContact O-N 3.42Å
32T42.8Very low58.5Low105 Ų105105.4 Ų105.464%0.64455%0.547SS*.  trans-84.298.4172.131.20000107.4L30L30-T32 HydrophobicContact CD2-CG2 3.99Å; L30-T32 HydrophobicContact CG-CG2 4.27Å; L30-T32 PolarHBondContact O-N 3.46Å
33D43Very low59.5Low149 Ų149100.2 Ų100.280%0.79752%0.524SS*.  trans-157.2125.1145-116.2-22.3000108.9N31N31-D33 PolarHBondContact O-N 3.42Å
34I49.4Very low60.4Low140 Ų140101.5 Ų101.572%0.71852%0.524SS*.SBendtrans8393.2165.8-45.6155.2000115.8E36I34-E36 PolarHBondContact O-N 2.93Å
35D54.2Low61.9Low169 Ų16998.5 Ų98.590%0.90451%0.509SS*.SBendtrans38.86145.6-84.8-24.2000122.5
36E55Low63.7Low140 Ų14095.7 Ų95.765%0.65449%0.489SS*.  trans-110.597-174.2-70.6-169.8167.600109.1I34 F38I34-E36 PolarHBondContact O-N 2.93Å; E36-F38 HydrophobicContact CB-CD1 3.79Å; E36-F38 HydrophobicContact CB-CE1 3.64Å; E36-F38 HydrophobicContact CG-CE1 4.06Å; E36-F38 PolarHBondContact O-N 3.36Å; E36-F38 WeakPolarHBondContact OE2-CE1 3.41Å
37T71Confident65.6Low77 Ų7792.6 Ų92.647%0.47247%0.47SS..  trans-71.73718051.90000113.1R51 F52T37-R51 WeakPolarHBondContact O-CA 3.46Å; T37-F52 WeakPolarHBondContact O-CD2 3.36Å; T37-F52 PolarHBondContact O-N 2.96Å
38F79.8Confident67.8Low101 Ų10186.7 Ų86.744%0.44344%0.44SS..EExtended strand (participates in β ladder)trans-129.5153.817979.2-95.1000113.7E36 V50 R51E36-F38 HydrophobicContact CB-CD1 3.79Å; E36-F38 HydrophobicContact CB-CE1 3.64Å; E36-F38 HydrophobicContact CG-CE1 4.06Å; E36-F38 PolarHBondContact O-N 3.36Å; E36-F38 WeakPolarHBondContact OE2-CE1 3.41Å; F38-V50 CarbonylContact C-O 3.52Å; F38-V50 WeakPolarHBondContact CA-O 3.25Å; F38-V50 WeakPolarHBondContact CB-O 3.07Å; F38-R51 HydrophobicContact CB-CG 3.98Å
39S83.6Confident69.8Low31 Ų3181 Ų8122%0.21742%0.415CS..EExtended strand (participates in β ladder)trans-130.9150.5168.5-178.80000109.7F49 V50 Y227S39-F49 CarbonylContact O-C 3.53Å; S39-F49 WeakPolarHBondContact O-CA 3.36Å; S39-V50 PolarHBondContact N-O 2.93Å; S39-V50 PolarHBondContact O-N 3.11Å; S39-Y227 WeakPolarHBondContact CB-OH 3.48Å; S39-Y227 PolarHBondContact OG-OH 2.72Å
40Q85Confident71.6Confident88 Ų8876.4 Ų76.441%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-127.3132175.2-175.1-177.2-1000110.5D42 S47 E48 F49Q40-D42 PolarHBondContact NE2-OD1 3.34Å; Q40-S47 WeakPolarHBondContact CG-OG 3.35Å; Q40-S47 PolarHBondContact NE2-OG 2.93Å; Q40-E48 CarbonylContact C-O 3.55Å; Q40-E48 VanDerWaalsContact CA-O 3.27Å; Q40-E48 WeakPolarHBondContact CA-O 3.48Å; Q40-F49 HydrophobicContact CB-CD1 4Å; Q40-F49 HydrophobicContact CB-CE1 4.05Å; Q40-F49 HydrophobicContact CG-CD1 3.82Å; Q40-F49 HydrophobicContact CG-CE1 3.52Å; Q40-F49 HydrophobicContact CG-CZ 3.97Å
41I83.3Confident73.9Confident53 Ų5375.4 Ų75.427%0.27238%0.38SS..EExtended strand (participates in β ladder)trans-132.8117.3175.3-56.4178.6000108.9H43 E48 Y227I41-H43 PolarHBondContact O-CD2 3.21Å; I41-E48 HydrophobicContact CB-CB 4.44Å; I41-E48 PolarHBondContact N-O 2.93Å; I41-E48 WeakPolarHBondContact O-CB 3.31Å; I41-E48 PolarHBondContact O-N 2.91Å; I41-Y227 HydrophobicContact CD1-CE2 3.75Å
42D79.8Confident76.1Confident72 Ų7270.7 Ų70.739%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-80.8125.1173.6-62.5-28.2000110.8Q40 S47 I240 R275Q40-D42 PolarHBondContact NE2-OD1 3.34Å; D42-S47 WeakPolarHBondContact OD1-CB 3.29Å; D42-S47 PolarHBondContact OD1-OG 3.42Å; D42-I240 HydrophobicContact CB-CD1 4.27Å; D42-R275 VanDerWaalsContact O-CZ 3.24Å; D42-R275 PolarHBondContact O-NH1 3.05Å; D42-R275 PolarHBondContact O-NH2 2.78Å; D42-R275 VanDerWaalsContact O-NH2 3.11Å
43H80.5Confident78.4Confident27 Ų2772.2 Ų72.213%0.12536%0.356CS..  trans-102.1-169.4170.6-59.1-77.7000110.9I41 Y46 E48 I223 I240I41-H43 PolarHBondContact O-CD2 3.21Å; H43-Y46 WeakPolarHBondContact CA-O 3.4Å; H43-Y46 VanDerWaalsContact CB-O 3.26Å; H43-Y46 WeakPolarHBondContact CB-O 3.27Å; H43-Y46 PolarHBondContact N-O 3.26Å; H43-E48 IonicContact CD2-OE2 3.59Å; H43-E48 IonicContact CE1-OE2 3.53Å; H43-E48 IonicContact NE2-OE2 2.76Å; H43-E48 PolarHBondContact NE2-OE2 3.43Å; H43-I223 HydrophobicContact CB-CD1 3.6Å; H43-I223 HydrophobicContact CB-CG1 3.8Å; H43-I223 HydrophobicContact CB-CG2 4.38Å; H43-I240 WeakPolarHBondContact O-CD1 3.3Å
44Y72.6Confident80.8Confident105 Ų10568.5 Ų68.541%0.41233%0.334SS..SBendtrans-61-53.4-177.8-62.8-89.4000112.7R275Y44-R275 HydrophobicContact CD1-CB 3.44Å; Y44-R275 VanDerWaalsContact CD1-CB 3.44Å; Y44-R275 WeakPolarHBondContact CD1-O 3.43Å; Y44-R275 HydrophobicContact CE1-CB 3.76Å; Y44-R275 WeakPolarHBondContact CE1-O 3.35Å; Y44-R275 HydrophobicContact CG-CB 4.39Å
45Y82.3Confident82.8Confident27 Ų2766.5 Ų66.511%0.10633%0.333CS..SBendtrans-115.4-5.9-177.4-68.9-79.1000114.4F84 K221 P239 I240 D276Y45-F84 HydrophobicContact CD2-CB 4.37Å; Y45-F84 AromaticContact CD2-CD1 3.3Å; Y45-F84 HydrophobicContact CD2-CD1 3.3Å; Y45-F84 AromaticContact CD2-CE1 3.92Å; Y45-F84 HydrophobicContact CD2-CE1 3.92Å; Y45-F84 HydrophobicContact CD2-CG 4.16Å; Y45-F84 AromaticContact CE2-CD1 3.85Å; Y45-F84 HydrophobicContact CE2-CD1 3.85Å; Y45-F84 HydrophobicContact CG-CD1 4.1Å; Y45-K221 HydrophobicContact CD2-CD 4.39Å; Y45-K221 HydrophobicContact CE2-CD 3.66Å; Y45-K221 VanDerWaalsContact CE2-NZ 3.26Å; Y45-K221 PolarHBondContact OH-NZ 3.34Å; Y45-P239 CarbonylContact O-C 3.26Å; Y45-P239 WeakPolarHBondContact O-CA 3.46Å; Y45-I240 PolarHBondContact O-N 2.78Å; Y45-D276 WeakPolarHBondContact CE2-OD1 3.16Å; Y45-D276 VanDerWaalsContact CZ-OD1 3.23Å; Y45-D276 PolarHBondContact OH-OD1 2.86Å
46Y88.8Confident84.4Confident3 Ų359.8 Ų59.81%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-135.5141.6-175.3-66.8-86000110.7H43 Y83 F84 I188 L207 I223 F237 T238 P239H43-Y46 WeakPolarHBondContact CA-O 3.4Å; H43-Y46 VanDerWaalsContact CB-O 3.26Å; H43-Y46 WeakPolarHBondContact CB-O 3.27Å; H43-Y46 PolarHBondContact N-O 3.26Å; Y46-Y83 WeakPolarHBondContact OH-CA 3.5Å; Y46-Y83 WeakPolarHBondContact OH-CD2 3.26Å; Y46-F84 HydrophobicContact CD2-CE2 4.38Å; Y46-F84 HydrophobicContact CD2-CZ 4.48Å; Y46-F84 AromaticContact CE2-CD2 3.71Å; Y46-F84 HydrophobicContact CE2-CD2 3.71Å; Y46-F84 AromaticContact CE2-CE2 3.69Å; Y46-F84 HydrophobicContact CE2-CE2 3.69Å; Y46-F84 HydrophobicContact CE2-CG 4.24Å; Y46-F84 HydrophobicContact CE2-CZ 4.2Å; Y46-F84 PolarHBondContact OH-N 2.87Å; Y46-I188 HydrophobicContact CE1-CD1 3.91Å; Y46-I188 HydrophobicContact CE1-CG1 4.47Å; Y46-L207 HydrophobicContact CD2-CD2 4.39Å; Y46-L207 HydrophobicContact CE2-CD2 4.3Å; Y46-I223 HydrophobicContact CD2-CD1 3.68Å; Y46-I223 HydrophobicContact CG-CD1 4.36Å; Y46-F237 HydrophobicContact CD1-CB 3.65Å; Y46-F237 HydrophobicContact CE1-CB 4.33Å; Y46-F237 HydrophobicContact CG-CB 4.02Å; Y46-T238 CarbonylContact C-O 3.47Å; Y46-T238 VanDerWaalsContact CA-O 3.29Å; Y46-T238 WeakPolarHBondContact CA-O 3.36Å; Y46-P239 HydrophobicContact CD1-CG 4.27Å; Y46-P239 HydrophobicContact CE1-CB 4.45Å; Y46-P239 HydrophobicContact CE1-CG 3.93Å
47S88.2Confident86.1Confident7 Ų754.8 Ų54.85%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-90.9117.9159.6177.50000107.5Q40 D42 F49 F237 T238Q40-S47 WeakPolarHBondContact CG-OG 3.35Å; Q40-S47 PolarHBondContact NE2-OG 2.93Å; D42-S47 WeakPolarHBondContact OD1-CB 3.29Å; D42-S47 PolarHBondContact OD1-OG 3.42Å; S47-F49 WeakPolarHBondContact OG-CE2 3.27Å; S47-F49 VanDerWaalsContact OG-CZ 3.26Å; S47-F49 WeakPolarHBondContact OG-CZ 3.4Å; S47-F237 WeakPolarHBondContact O-CA 3.46Å; S47-T238 PolarHBondContact N-O 2.8Å; S47-T238 PolarHBondContact O-N 2.87Å
48E91.1Very high86.9Confident1 Ų156.7 Ų56.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-84.4124172.8180-173.7171.100109Q40 I41 H43 V50 S225 V235 E236 F237Q40-E48 CarbonylContact C-O 3.55Å; Q40-E48 VanDerWaalsContact CA-O 3.27Å; Q40-E48 WeakPolarHBondContact CA-O 3.48Å; I41-E48 HydrophobicContact CB-CB 4.44Å; I41-E48 PolarHBondContact N-O 2.93Å; I41-E48 WeakPolarHBondContact O-CB 3.31Å; I41-E48 PolarHBondContact O-N 2.91Å; H43-E48 IonicContact CD2-OE2 3.59Å; H43-E48 IonicContact CE1-OE2 3.53Å; H43-E48 IonicContact NE2-OE2 2.76Å; H43-E48 PolarHBondContact NE2-OE2 3.43Å; E48-V50 HydrophobicContact CG-CG2 4.02Å; E48-V50 WeakPolarHBondContact OE1-CG2 3.37Å; E48-S225 WeakPolarHBondContact OE1-CB 3.45Å; E48-S225 PolarHBondContact OE1-OG 3.35Å; E48-V235 HydrophobicContact CG-CG1 3.78Å; E48-E236 CarbonylContact C-O 3.41Å; E48-E236 WeakPolarHBondContact CA-O 3.35Å; E48-F237 HydrophobicContact CB-CD1 3.98Å; E48-F237 HydrophobicContact CB-CE1 3.82Å; E48-F237 HydrophobicContact CG-CD1 4.26Å; E48-F237 HydrophobicContact CG-CE1 3.74Å; E48-F237 HydrophobicContact CG-CZ 4.17Å
49F92.4Very high87.2Confident43 Ų4353 Ų5319%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-112.9127.9170.3-62.2-92.2000108.5S39 Q40 S47 V235 E236S39-F49 CarbonylContact O-C 3.53Å; S39-F49 WeakPolarHBondContact O-CA 3.36Å; Q40-F49 HydrophobicContact CB-CD1 4Å; Q40-F49 HydrophobicContact CB-CE1 4.05Å; Q40-F49 HydrophobicContact CG-CD1 3.82Å; Q40-F49 HydrophobicContact CG-CE1 3.52Å; Q40-F49 HydrophobicContact CG-CZ 3.97Å; S47-F49 WeakPolarHBondContact OG-CE2 3.27Å; S47-F49 VanDerWaalsContact OG-CZ 3.26Å; S47-F49 WeakPolarHBondContact OG-CZ 3.4Å; F49-V235 CarbonylContact O-C 3.58Å; F49-V235 WeakPolarHBondContact O-CA 3.2Å; F49-E236 HydrophobicContact CB-CB 4.28Å; F49-E236 PolarHBondContact N-O 3.31Å; F49-E236 PolarHBondContact O-N 2.95Å
50V92Very high87.1Confident1 Ų152 Ų521%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-113.6127.2177.2-179.20000108.5F38 S39 E48 F52 Y227 L233 L234 V235F38-V50 CarbonylContact C-O 3.52Å; F38-V50 WeakPolarHBondContact CA-O 3.25Å; F38-V50 WeakPolarHBondContact CB-O 3.07Å; S39-V50 PolarHBondContact N-O 2.93Å; S39-V50 PolarHBondContact O-N 3.11Å; E48-V50 HydrophobicContact CG-CG2 4.02Å; E48-V50 WeakPolarHBondContact OE1-CG2 3.37Å; V50-F52 HydrophobicContact CG1-CE2 4.19Å; V50-F52 HydrophobicContact CG1-CZ 4.18Å; V50-Y227 HydrophobicContact CB-CD2 4.11Å; V50-Y227 HydrophobicContact CB-CE2 4.15Å; V50-Y227 HydrophobicContact CB-CG 4.33Å; V50-Y227 HydrophobicContact CG1-CD1 4.06Å; V50-Y227 HydrophobicContact CG1-CD2 4.18Å; V50-Y227 HydrophobicContact CG1-CE1 4.49Å; V50-Y227 HydrophobicContact CG1-CG 3.9Å; V50-Y227 HydrophobicContact CG2-CD2 3.4Å; V50-Y227 VanDerWaalsContact CG2-CD2 3.4Å; V50-Y227 HydrophobicContact CG2-CE2 3.61Å; V50-Y227 HydrophobicContact CG2-CG 4Å; V50-L233 HydrophobicContact CG1-CD1 3.45Å; V50-L233 VanDerWaalsContact CG1-CD1 3.45Å; V50-L233 HydrophobicContact CG1-CG 4.42Å; V50-L234 CarbonylContact C-O 3.49Å; V50-L234 WeakPolarHBondContact CA-O 3.32Å; V50-V235 HydrophobicContact CG1-CG2 4.39Å; V50-V235 HydrophobicContact CG2-CG1 4.2Å; V50-V235 HydrophobicContact CG2-CG2 4.08Å
51R92.7Very high86.9Confident97 Ų9754 Ų5437%0.36628%0.278SS..EExtended strand (participates in β ladder)trans-127.7138177.6-62.6-175.5-174.7147.211.4110.2T37 F38 Q54 L234 E236T37-R51 WeakPolarHBondContact O-CA 3.46Å; F38-R51 HydrophobicContact CB-CG 3.98Å; R51-Q54 HydrophobicContact CB-CG 3.77Å; R51-L234 HydrophobicContact CB-CB 4.32Å; R51-L234 PolarHBondContact N-O 3.08Å; R51-L234 PolarHBondContact O-N 2.9Å; R51-E236 IonicContact CZ-OE2 2.8Å; R51-E236 IonicContact NE-OE2 3.94Å; R51-E236 IonicContact NH1-OE2 2.95Å; R51-E236 PolarHBondContact NH1-OE2 3.45Å; R51-E236 VanDerWaalsContact NH1-OE2 3.08Å; R51-E236 IonicContact NH2-OE2 3.3Å; R51-E236 PolarHBondContact NH2-OE2 3.27Å
52F91Very high86.8Confident48 Ų4857.5 Ų57.521%0.21130%0.297CS..SBendtrans-97.6164.3176.5-60.7-88.7000111.6T37 V50 Q54 Y227 E230 G232 L233T37-F52 WeakPolarHBondContact O-CD2 3.36Å; T37-F52 PolarHBondContact O-N 2.96Å; V50-F52 HydrophobicContact CG1-CE2 4.19Å; V50-F52 HydrophobicContact CG1-CZ 4.18Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 3.47Å; F52-Q54 PolarHBondContact O-NE2 2.98Å; F52-Y227 HydrophobicContact CZ-CD1 4.16Å; F52-E230 WeakPolarHBondContact CD1-OE1 3.26Å; F52-E230 VanDerWaalsContact CE1-OE1 3.22Å; F52-E230 WeakPolarHBondContact CE1-OE1 3.46Å; F52-G232 CarbonylContact C-O 3.54Å; F52-L233 HydrophobicContact CD1-CD1 3.75Å; F52-L233 HydrophobicContact CE1-CD1 3.54Å; F52-L233 HydrophobicContact CG-CD1 4.44Å; F52-L233 HydrophobicContact CZ-CD1 4.07Å
53N91.2Very high86.8Confident137 Ų13756.1 Ų56.173%0.73329%0.289SS*.SBendtrans56.932.8177.9-56.1-43.6000114.7G232N53-G232 PolarHBondContact N-O 2.83Å
54Q93Very high86.3Confident71 Ų7164.6 Ų64.633%0.33233%0.325SS..PPolyproline II helixtrans-90.6136.2177.7-59.2-56.1-59.700111.3R51 F52 G232 L234R51-Q54 HydrophobicContact CB-CG 3.77Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 3.47Å; F52-Q54 PolarHBondContact O-NE2 2.98Å; Q54-G232 PolarHBondContact N-O 2.8Å; Q54-G232 WeakPolarHBondContact O-CA 3.35Å; Q54-L234 HydrophobicContact CB-CB 3.7Å; Q54-L234 HydrophobicContact CB-CD2 4.32Å; Q54-L234 HydrophobicContact CG-CB 3.56Å; Q54-L234 HydrophobicContact CG-CD2 3.9Å; Q54-L234 HydrophobicContact CG-CG 4.39Å
55S90.8Very high86.7Confident99 Ų9967.9 Ų67.969%0.69234%0.342SS*.PPolyproline II helixtrans-86.3149.3171.756.50000111.3
56I89.2Confident86.5Confident28 Ų2868.1 Ų68.114%0.14435%0.347CS..PPolyproline II helixtrans-59.3134.4171-65-175.9000109.5Q177 V179 E193I56-Q177 HydrophobicContact CD1-CG 4.4Å; I56-V179 HydrophobicContact CD1-CG2 3.78Å; I56-V179 HydrophobicContact CG1-CG2 4.4Å; I56-V179 HydrophobicContact CG2-CB 4.3Å; I56-V179 HydrophobicContact CG2-CG2 3.76Å; I56-E193 HydrophobicContact CD1-CB 3.65Å; I56-E193 HydrophobicContact CD1-CG 4.28Å; I56-E193 WeakPolarHBondContact CD1-OE2 3.41Å; I56-E193 HydrophobicContact CG1-CB 4.13Å
57P89.5Confident86.2Confident35 Ų3572 Ų7223%0.22737%0.368CS..PPolyproline II helixtrans-67.5145.8177.628.5-35.8000111.3I59 I181 Y191P57-I59 HydrophobicContact CB-CD1 3.84Å; P57-I59 HydrophobicContact CB-CG1 3.97Å; P57-I59 HydrophobicContact CG-CD1 3.61Å; P57-I59 HydrophobicContact CG-CG1 4.14Å; P57-I59 PolarHBondContact O-N 3.09Å; P57-I181 HydrophobicContact CG-CD1 3.49Å; P57-I181 VanDerWaalsContact CG-CD1 3.49Å; P57-Y191 HydrophobicContact CG-CD2 4.39Å; P57-Y191 HydrophobicContact CG-CE1 4.4Å; P57-Y191 HydrophobicContact CG-CE2 3.95Å
58V88.5Confident85.8Confident117 Ų11777.1 Ų77.171%0.70939%0.391SS*.SBendtrans-75.469.9-177.1-1700000110.5D61V58-D61 VanDerWaalsContact CG1-CG 3.43Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.29Å
59I85.7Confident85.3Confident22 Ų2277.4 Ų77.411%0.11339%0.392CS..  trans-108.1-26.9-174.5-63.9176.1000111.9P57 K129 F134 A136 I181P57-I59 HydrophobicContact CB-CD1 3.84Å; P57-I59 HydrophobicContact CB-CG1 3.97Å; P57-I59 HydrophobicContact CG-CD1 3.61Å; P57-I59 HydrophobicContact CG-CG1 4.14Å; P57-I59 PolarHBondContact O-N 3.09Å; I59-K129 HydrophobicContact CG2-CB 4.46Å; I59-K129 HydrophobicContact CG2-CD 3.79Å; I59-K129 WeakPolarHBondContact O-CD 3.38Å; I59-K129 PolarHBondContact O-NZ 3.42Å; I59-F134 HydrophobicContact CD1-CE2 4.48Å; I59-F134 HydrophobicContact CG2-CE2 3.61Å; I59-F134 HydrophobicContact CG2-CZ 4Å; I59-A136 HydrophobicContact CG2-CB 3.8Å; I59-I181 HydrophobicContact CD1-CD1 3.4Å; I59-I181 HydrophobicContact CD1-CG1 4.38Å
60F81.6Confident84.8Confident11 Ų1181.2 Ų81.25%0.04841%0.409CS..  trans-101.93.3-168-69-87.3000115D62 I63 Q127 A136 K138 V179F60-D62 PolarHBondContact O-N 3.36Å; F60-D62 VanDerWaalsContact O-N 3.11Å; F60-I63 HydrophobicContact CD1-CD1 3.53Å; F60-I63 HydrophobicContact CE1-CD1 4.07Å; F60-I63 HydrophobicContact CG-CD1 4.48Å; F60-I63 PolarHBondContact O-N 3.06Å; F60-Q127 HydrophobicContact CD1-CB 3.76Å; F60-Q127 HydrophobicContact CE1-CB 3.88Å; F60-A136 HydrophobicContact CE1-CB 4.37Å; F60-A136 HydrophobicContact CE2-CB 3.89Å; F60-A136 HydrophobicContact CZ-CB 3.49Å; F60-A136 VanDerWaalsContact CZ-CB 3.49Å; F60-K138 HydrophobicContact CB-CD 4.3Å; F60-K138 HydrophobicContact CD1-CB 3.99Å; F60-K138 HydrophobicContact CD1-CD 4.21Å; F60-K138 HydrophobicContact CD2-CB 4.17Å; F60-K138 HydrophobicContact CD2-CD 3.87Å; F60-K138 HydrophobicContact CE1-CB 3.57Å; F60-K138 HydrophobicContact CE2-CB 3.74Å; F60-K138 HydrophobicContact CE2-CD 4.26Å; F60-K138 HydrophobicContact CG-CB 4.29Å; F60-K138 HydrophobicContact CG-CD 3.86Å; F60-K138 HydrophobicContact CZ-CB 3.42Å; F60-K138 VanDerWaalsContact CZ-CB 3.42Å; F60-V179 HydrophobicContact CE2-CG1 3.7Å; F60-V179 HydrophobicContact CE2-CG2 4.23Å; F60-V179 HydrophobicContact CZ-CG1 4.37Å
61D80Confident84.7Confident131 Ų13189 Ų8970%0.70144%0.443SS*.THydrogen-bonded Turntrans-59.6-27.9-173.6-72.213.8000113.4V58V58-D61 VanDerWaalsContact CG1-CG 3.43Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.29Å
62D81.5Confident84.7Confident126 Ų12687.6 Ų87.667%0.67445%0.446SS*.THydrogen-bonded Turntrans-85.9-8.6-178.9-51.2-46.1000114.1F60 K64 K129F60-D62 PolarHBondContact O-N 3.36Å; F60-D62 VanDerWaalsContact O-N 3.11Å; D62-K64 PolarHBondContact O-N 3.5Å; D62-K129 IonicContact OD2-NZ 3.48Å
63I80.4Confident84.8Confident43 Ų4388.5 Ų88.522%0.22145%0.448CS..  trans-88.199.8-172.5-64.8170.9000109.8F60 K65 Q127 K129F60-I63 HydrophobicContact CD1-CD1 3.53Å; F60-I63 HydrophobicContact CE1-CD1 4.07Å; F60-I63 HydrophobicContact CG-CD1 4.48Å; F60-I63 PolarHBondContact O-N 3.06Å; I63-K65 PolarHBondContact O-N 2.88Å; I63-Q127 HydrophobicContact CG2-CB 4.2Å; I63-Q127 HydrophobicContact CG2-CG 3.95Å; I63-K129 HydrophobicContact CD1-CB 3.91Å; I63-K129 HydrophobicContact CD1-CD 4.47Å
64K70.6Confident85Confident204 Ų20485.6 Ų85.689%0.88744%0.435SS*.  trans-62.9-31.9-169.9-69.8-176.4178.5177.30115.1D62D62-K64 PolarHBondContact O-N 3.5Å
65K80.6Confident85.1Confident174 Ų17483 Ų8376%0.75742%0.423SS*.SBendtrans-149.5138.2179.1-66.3-171.6-179.8179.10112.2I63I63-K65 PolarHBondContact O-N 2.88Å
66P78.4Confident85.4Confident33 Ų3385.5 Ų85.521%0.21442%0.421CS..  trans-68.5150.717029.4-32.3000111.4E125 Q127 V140P66-E125 HydrophobicContact CB-CB 3.82Å; P66-E125 HydrophobicContact CB-CG 4.24Å; P66-E125 HydrophobicContact CG-CB 4.07Å; P66-E125 HydrophobicContact CG-CG 4.03Å; P66-E125 WeakPolarHBondContact CG-OE2 3.37Å; P66-Q127 HydrophobicContact CB-CG 3.85Å; P66-V140 HydrophobicContact CB-CG2 4.19Å
67N81.4Confident85.7Confident83 Ų8384.5 Ų84.544%0.44442%0.417SS..EExtended strand (participates in β ladder)trans-84.6131.3168.2-71.6-19.8000108.8L69 W73 V126N67-L69 PolarHBondContact O-N 2.94Å; N67-W73 WeakPolarHBondContact ND2-CH2 3.42Å; N67-V126 PolarHBondContact N-O 2.84Å; N67-V126 PolarHBondContact O-N 2.86Å
68H80.8Confident86.1Confident115 Ų11587.8 Ų87.853%0.53243%0.432SS..EExtended strand (participates in β ladder)trans-76.3113.9170-65-70.3000108.9F70 E125H68-F70 HydrophobicContact CB-CE2 3.95Å; H68-F70 HydrophobicContact CB-CZ 4.4Å; H68-E125 IonicContact CE1-OE1 2.68Å
69L80.3Confident86.4Confident8 Ų883 Ų834%0.04240%0.401CS..EExtended strand (participates in β ladder)trans-97.7111.2-178.8-111.8109.4000110.2N67 K71 W73 I93 P95 N124 V126N67-L69 PolarHBondContact O-N 2.94Å; L69-K71 WeakPolarHBondContact CD2-O 3.2Å; L69-W73 HydrophobicContact CD1-CB 4.26Å; L69-W73 HydrophobicContact CD1-CE3 3.9Å; L69-W73 HydrophobicContact CD2-CB 3.78Å; L69-W73 HydrophobicContact CG-CB 4.27Å; L69-I93 HydrophobicContact CD2-CB 4.46Å; L69-I93 HydrophobicContact CD2-CG2 4.28Å; L69-I93 WeakPolarHBondContact CD2-O 3.31Å; L69-P95 HydrophobicContact CB-CB 4.42Å; L69-N124 PolarHBondContact N-O 3.26Å; L69-V126 HydrophobicContact CB-CG2 4.26Å; L69-V126 HydrophobicContact CD1-CB 3.63Å; L69-V126 HydrophobicContact CD1-CG1 4.38Å; L69-V126 HydrophobicContact CD1-CG2 3.78Å; L69-V126 HydrophobicContact CG-CG2 4.49Å
70F82.4Confident86.8Confident122 Ų12284.1 Ų84.154%0.53541%0.41SS..SBendtrans-102.1-17.3170.3-65-71.2000113.4H68 Y123H68-F70 HydrophobicContact CB-CE2 3.95Å; H68-F70 HydrophobicContact CB-CZ 4.4Å; F70-Y123 HydrophobicContact CD1-CD1 4.49Å; F70-Y123 HydrophobicContact CD1-CE1 4.42Å; F70-Y123 AromaticContact CE1-CD1 3.19Å; F70-Y123 HydrophobicContact CE1-CD1 3.19Å; F70-Y123 HydrophobicContact CE1-CD2 4.19Å; F70-Y123 AromaticContact CE1-CE1 3.11Å; F70-Y123 HydrophobicContact CE1-CE1 3.11Å; F70-Y123 HydrophobicContact CE1-CE2 4.12Å; F70-Y123 AromaticContact CE1-CG 3.73Å; F70-Y123 HydrophobicContact CE1-CG 3.73Å; F70-Y123 AromaticContact CE1-CZ 3.58Å; F70-Y123 AromaticContact CZ-CD1 3.28Å; F70-Y123 HydrophobicContact CZ-CD1 3.28Å; F70-Y123 AromaticContact CZ-CE1 3.2Å; F70-Y123 HydrophobicContact CZ-CE1 3.2Å; F70-Y123 HydrophobicContact CZ-CG 4.23Å
71K89.6Confident87.4Confident166 Ų16683.6 Ų83.672%0.72241%0.408SS*.SBendtrans-139.3153.5-174.2-66.2-174.7179.6-178.10107.8L69 W73L69-K71 WeakPolarHBondContact CD2-O 3.2Å; K71-W73 PolarHBondContact O-N 3.27Å
72P92.2Very high87.9Confident66 Ų6678.9 Ų78.943%0.42939%0.385SS..  trans-51.4136.4174.5-24.633.7000111.3T92 I93 F94P72-T92 HydrophobicContact CB-CG2 3.71Å; P72-I93 CarbonylContact C-O 3.56Å; P72-I93 VanDerWaalsContact CA-O 3.27Å; P72-I93 WeakPolarHBondContact CA-O 3.49Å; P72-F94 HydrophobicContact CB-CD1 3.93Å; P72-F94 HydrophobicContact CB-CE1 3.87Å; P72-F94 HydrophobicContact CG-CD1 3.63Å; P72-F94 HydrophobicContact CG-CE1 3.62Å
73W93Very high88.4Confident68 Ų6873 Ų7326%0.25835%0.353SS..EExtended strand (participates in β ladder)trans-110.6103.6177.7178.524.5000110.1N67 L69 K71 T92 I93 R128N67-W73 WeakPolarHBondContact ND2-CH2 3.42Å; L69-W73 HydrophobicContact CD1-CB 4.26Å; L69-W73 HydrophobicContact CD1-CE3 3.9Å; L69-W73 HydrophobicContact CD2-CB 3.78Å; L69-W73 HydrophobicContact CG-CB 4.27Å; K71-W73 PolarHBondContact O-N 3.27Å; W73-T92 WeakPolarHBondContact O-CA 3.25Å; W73-I93 HydrophobicContact CB-CB 4.48Å; W73-I93 HydrophobicContact CE3-CD1 3.92Å; W73-I93 HydrophobicContact CZ3-CD1 4.38Å; W73-I93 PolarHBondContact N-O 2.89Å; W73-I93 PolarHBondContact O-N 3.02Å; W73-R128 HydrophobicContact CH2-CB 3.82Å; W73-R128 HydrophobicContact CH2-CG 4.45Å; W73-R128 VanDerWaalsContact CH2-NE 3.26Å; W73-R128 HydrophobicContact CZ3-CB 3.68Å; W73-R128 HydrophobicContact CZ3-CG 4.49Å
74T95.1Very high88.8Confident76 Ų7671.1 Ų71.147%0.46634%0.343SS..EExtended strand (participates in β ladder)trans-92.1136.9176.4-52.10000110.9V91 T92T74-V91 CarbonylContact C-O 3.59Å; T74-V91 WeakPolarHBondContact CA-O 3.11Å; T74-T92 WeakPolarHBondContact CG2-OG1 3.31Å; T74-T92 WeakPolarHBondContact OG1-CG2 3.43Å; T74-T92 PolarHBondContact OG1-OG1 2.9Å
75F94.9Very high89.4Confident16 Ų1663.4 Ų63.47%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-144.2159.6174.564.7-85.9000111.5T77 V91 I93 R128 I135F75-T77 HydrophobicContact CE2-CG2 4.1Å; F75-V91 WeakPolarHBondContact CD1-O 3.29Å; F75-V91 HydrophobicContact CE1-CB 3.87Å; F75-V91 HydrophobicContact CE1-CG1 3.76Å; F75-V91 HydrophobicContact CE2-CB 4.14Å; F75-V91 HydrophobicContact CZ-CB 3.67Å; F75-V91 HydrophobicContact CZ-CG1 3.72Å; F75-V91 HydrophobicContact CZ-CG2 4.47Å; F75-V91 PolarHBondContact N-O 2.82Å; F75-V91 PolarHBondContact O-N 3.29Å; F75-I93 HydrophobicContact CD1-CD1 4.43Å; F75-I93 HydrophobicContact CE1-CD1 3.7Å; F75-I93 HydrophobicContact CE1-CG1 3.87Å; F75-R128 VanDerWaalsContact CG-NH1 3.26Å; F75-R128 HydrophobicContact CZ-CG 4.37Å; F75-I135 HydrophobicContact CE2-CG2 4.21Å; F75-I135 HydrophobicContact CZ-CG2 3.94Å
76K96.9Very high89.7Confident151 Ų15158.6 Ų58.666%0.65730%0.304SS*.EExtended strand (participates in β ladder)trans-91131.2172-169.9178.9179.7178.40110H89 L90K76-H89 CarbonylContact C-O 3.56Å; K76-H89 WeakPolarHBondContact CA-O 3.17Å; K76-H89 HydrophobicContact CG-CB 4.3Å; K76-H89 WeakPolarHBondContact CG-O 3.37Å; K76-L90 HydrophobicContact CB-CD2 4.32Å
77T96.3Very high90.3Very high8 Ų866 Ų665%0.04933%0.328CS..EExtended strand (participates in β ladder)trans-76.8151.8179.860.40000111.9F75 F79 H89 V91 I135F75-T77 HydrophobicContact CE2-CG2 4.1Å; T77-F79 VanDerWaalsContact C-N 3.29Å; T77-F79 VanDerWaalsContact CB-O 3.31Å; T77-F79 WeakPolarHBondContact CB-O 3.33Å; T77-F79 PolarHBondContact O-N 2.85Å; T77-F79 PolarHBondContact OG1-O 3.3Å; T77-H89 PolarHBondContact N-O 3.26Å; T77-H89 WeakPolarHBondContact OG1-CA 3.33Å; T77-H89 PolarHBondContact OG1-O 2.91Å; T77-V91 HydrophobicContact CG2-CB 4.34Å; T77-V91 HydrophobicContact CG2-CG2 3.59Å; T77-I135 HydrophobicContact CG2-CD1 3.29Å
78L97Very high90.9Very high104 Ų10463.6 Ų63.655%0.54531%0.313SS..EExtended strand (participates in β ladder)trans-72.4-21.2175.9-67176.6000113.5
79F95.6Very high91.6Very high15 Ų1562.4 Ų62.47%0.06631%0.307CS..EExtended strand (participates in β ladder)trans-132.1152.217659.4-90.3000110.8T77 L81 S131 N132 I135 S184T77-F79 VanDerWaalsContact C-N 3.29Å; T77-F79 VanDerWaalsContact CB-O 3.31Å; T77-F79 WeakPolarHBondContact CB-O 3.33Å; T77-F79 PolarHBondContact O-N 2.85Å; T77-F79 PolarHBondContact OG1-O 3.3Å; F79-L81 HydrophobicContact CE2-CD1 4.17Å; F79-L81 PolarHBondContact O-N 2.91Å; F79-S131 VanDerWaalsContact CD1-O 3.24Å; F79-S131 WeakPolarHBondContact CD1-O 3.48Å; F79-S131 VanDerWaalsContact CE1-O 3.23Å; F79-S131 WeakPolarHBondContact CE1-O 3.17Å; F79-N132 WeakPolarHBondContact CD1-O 3.47Å; F79-I135 HydrophobicContact CE1-CD1 4Å; F79-I135 HydrophobicContact CE1-CG1 3.82Å; F79-I135 HydrophobicContact CE2-CD1 4.34Å; F79-I135 HydrophobicContact CZ-CD1 3.71Å; F79-I135 HydrophobicContact CZ-CG1 3.84Å; F79-S184 VanDerWaalsContact CE2-CA 3.43Å
80P94.4Very high92.4Very high46 Ų4665 Ų6530%0.29932%0.32SS..EExtended strand (participates in β ladder)trans-63.7121171.724.2-30.3000110.2P82 R87 Y88P80-P82 VanDerWaalsContact O-CD 3.27Å; P80-P82 WeakPolarHBondContact O-CD 3.27Å; P80-R87 HydrophobicContact CB-CB 4.06Å; P80-R87 HydrophobicContact CB-CG 4.42Å; P80-Y88 CarbonylContact C-O 3.56Å; P80-Y88 WeakPolarHBondContact CA-O 3.46Å
81L93.3Very high93.1Very high1 Ų159.1 Ų59.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-79.8115.2177.4-177.266.7000110.5F79 Y83 R87 Y88 V91 I101 F182F79-L81 HydrophobicContact CE2-CD1 4.17Å; F79-L81 PolarHBondContact O-N 2.91Å; L81-Y83 PolarHBondContact O-N 2.91Å; L81-R87 WeakPolarHBondContact O-CA 3.34Å; L81-Y88 PolarHBondContact N-O 3.43Å; L81-Y88 PolarHBondContact O-N 3.34Å; L81-V91 HydrophobicContact CD2-CG2 4.2Å; L81-I101 HydrophobicContact CD2-CD1 3.98Å; L81-I101 HydrophobicContact CD2-CG1 4.25Å; L81-I101 HydrophobicContact CD2-CG2 4.11Å; L81-F182 HydrophobicContact CD1-CB 3.57Å; L81-F182 HydrophobicContact CD1-CD1 3.7Å; L81-F182 HydrophobicContact CD1-CG 3.92Å; L81-F182 HydrophobicContact CD2-CD1 3.79Å; L81-F182 HydrophobicContact CD2-CE1 4.09Å; L81-F182 HydrophobicContact CD2-CG 4.27Å; L81-F182 HydrophobicContact CG-CD1 4.33Å
82P92.2Very high93.4Very high32 Ų3251.5 Ų51.521%0.20826%0.262CS..EExtended strand (participates in β ladder)trans-70122.7171.1-14.330.8000110P80 N86P80-P82 VanDerWaalsContact O-CD 3.27Å; P80-P82 WeakPolarHBondContact O-CD 3.27Å; P82-N86 CarbonylContact C-O 3.53Å; P82-N86 WeakPolarHBondContact CA-O 3.29Å
83Y92Very high93.5Very high1 Ų148.3 Ų48.30%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-144.1120175.9-172.2-106.3000110.6Y46 L81 G85 N86 Y88 I101 N112 I113 I114 I188 L207 V208 H209Y46-Y83 WeakPolarHBondContact OH-CA 3.5Å; Y46-Y83 WeakPolarHBondContact OH-CD2 3.26Å; L81-Y83 PolarHBondContact O-N 2.91Å; Y83-G85 PolarHBondContact O-N 3.43Å; Y83-N86 PolarHBondContact N-O 2.85Å; Y83-N86 PolarHBondContact O-N 3.39Å; Y83-Y88 HydrophobicContact CD1-CE2 4.26Å; Y83-I101 HydrophobicContact CD1-CB 4.42Å; Y83-I101 HydrophobicContact CD1-CD1 4.05Å; Y83-I101 HydrophobicContact CD1-CG2 4.24Å; Y83-I101 HydrophobicContact CD2-CD1 3.48Å; Y83-I101 VanDerWaalsContact CD2-CD1 3.48Å; Y83-I101 HydrophobicContact CE1-CD1 4.21Å; Y83-I101 HydrophobicContact CE2-CD1 3.68Å; Y83-I101 HydrophobicContact CG-CD1 3.68Å; Y83-I101 HydrophobicContact CG-CG2 4.23Å; Y83-N112 HydrophobicContact CD1-CB 4.04Å; Y83-N112 HydrophobicContact CE1-CB 3.72Å; Y83-I113 PolarHBondContact OH-O 3.26Å; Y83-I113 VanDerWaalsContact OH-O 3.05Å; Y83-I114 HydrophobicContact CD2-CD1 4.28Å; Y83-I114 HydrophobicContact CE2-CD1 3.61Å; Y83-I114 HydrophobicContact CE2-CG1 3.78Å; Y83-I188 HydrophobicContact CD2-CD1 4.13Å; Y83-I188 HydrophobicContact CE2-CD1 4.22Å; Y83-L207 HydrophobicContact CE2-CD2 4.34Å; Y83-V208 WeakPolarHBondContact CE1-O 3.22Å; Y83-V208 PolarHBondContact OH-N 2.94Å; Y83-V208 PolarHBondContact OH-O 3.45Å; Y83-H209 HydrophobicContact CE1-CB 4.38Å
84F87.9Confident93.6Very high5 Ų545.2 Ų45.22%0.02223%0.23CC..THydrogen-bonded Turntrans50.240.1-175.9-76.8-102.8000113.3Y45 Y46 N86 L207 H209 K221 I223Y45-F84 HydrophobicContact CD2-CB 4.37Å; Y45-F84 AromaticContact CD2-CD1 3.3Å; Y45-F84 HydrophobicContact CD2-CD1 3.3Å; Y45-F84 AromaticContact CD2-CE1 3.92Å; Y45-F84 HydrophobicContact CD2-CE1 3.92Å; Y45-F84 HydrophobicContact CD2-CG 4.16Å; Y45-F84 AromaticContact CE2-CD1 3.85Å; Y45-F84 HydrophobicContact CE2-CD1 3.85Å; Y45-F84 HydrophobicContact CG-CD1 4.1Å; Y46-F84 HydrophobicContact CD2-CE2 4.38Å; Y46-F84 HydrophobicContact CD2-CZ 4.48Å; Y46-F84 AromaticContact CE2-CD2 3.71Å; Y46-F84 HydrophobicContact CE2-CD2 3.71Å; Y46-F84 AromaticContact CE2-CE2 3.69Å; Y46-F84 HydrophobicContact CE2-CE2 3.69Å; Y46-F84 HydrophobicContact CE2-CG 4.24Å; Y46-F84 HydrophobicContact CE2-CZ 4.2Å; Y46-F84 PolarHBondContact OH-N 2.87Å; F84-N86 PolarHBondContact O-N 2.86Å; F84-L207 HydrophobicContact CE2-CB 4.2Å; F84-L207 HydrophobicContact CZ-CB 4.39Å; F84-H209 HydrophobicContact CB-CB 3.91Å; F84-H209 HydrophobicContact CD1-CB 3.52Å; F84-H209 AromaticContact CD1-CG 3.98Å; F84-H209 HydrophobicContact CD2-CB 3.6Å; F84-H209 HydrophobicContact CE1-CB 3.86Å; F84-H209 HydrophobicContact CE2-CB 3.91Å; F84-H209 HydrophobicContact CG-CB 3.4Å; F84-H209 AromaticContact CG-CG 3.71Å; F84-H209 HydrophobicContact CZ-CB 4.03Å; F84-K221 HydrophobicContact CD1-CB 4.34Å; F84-K221 HydrophobicContact CE1-CB 3.92Å; F84-I223 HydrophobicContact CE1-CD1 4.35Å; F84-I223 HydrophobicContact CZ-CD1 3.9Å; F84-I223 HydrophobicContact CZ-CG1 4.26Å
85G83Confident93.4Very high42 Ų4242 Ų4243%0.43321%0.21SC..THydrogen-bonded Turntrans80.6-11.9-18000000115.3Y83Y83-G85 PolarHBondContact O-N 3.43Å
86N86.2Confident93.2Very high72 Ų7242.1 Ų42.139%0.38521%0.211SC..EExtended strand (participates in β ladder)trans-94160.5175.8-68.9-53.6000111.5P82 Y83 F84 Y88P82-N86 CarbonylContact C-O 3.53Å; P82-N86 WeakPolarHBondContact CA-O 3.29Å; Y83-N86 PolarHBondContact N-O 2.85Å; Y83-N86 PolarHBondContact O-N 3.39Å; F84-N86 PolarHBondContact O-N 2.86Å; N86-Y88 HydrophobicContact CB-CD2 4.34Å; N86-Y88 HydrophobicContact CB-CE2 3.48Å; N86-Y88 VanDerWaalsContact CB-CE2 3.48Å; N86-Y88 WeakPolarHBondContact CB-OH 3.25Å
87R91.3Very high93Very high188 Ų18835 Ų3571%0.70918%0.18SC*.EExtended strand (participates in β ladder)trans-113.3120.8178.6-70.4-174.6-177.8-162-0.3110.3P80 L81P80-R87 HydrophobicContact CB-CB 4.06Å; P80-R87 HydrophobicContact CB-CG 4.42Å; L81-R87 WeakPolarHBondContact O-CA 3.34Å
88Y94.5Very high92.9Very high34 Ų3434.7 Ų34.713%0.13318%0.178CC..EExtended strand (participates in β ladder)trans-116.4149-177.8-60.2-83.5000111.7P80 L81 Y83 N86 I101 N112P80-Y88 CarbonylContact C-O 3.56Å; P80-Y88 WeakPolarHBondContact CA-O 3.46Å; L81-Y88 PolarHBondContact N-O 3.43Å; L81-Y88 PolarHBondContact O-N 3.34Å; Y83-Y88 HydrophobicContact CD1-CE2 4.26Å; N86-Y88 HydrophobicContact CB-CD2 4.34Å; N86-Y88 HydrophobicContact CB-CE2 3.48Å; N86-Y88 VanDerWaalsContact CB-CE2 3.48Å; N86-Y88 WeakPolarHBondContact CB-OH 3.25Å; Y88-I101 HydrophobicContact CD1-CG2 4.41Å; Y88-I101 HydrophobicContact CD2-CG2 3.51Å; Y88-I101 HydrophobicContact CE2-CG2 4.22Å; Y88-I101 HydrophobicContact CG-CG2 3.6Å; Y88-N112 PolarHBondContact OH-ND2 3.25Å
89H95.6Very high92.9Very high89 Ų8929.8 Ų29.841%0.41215%0.153SC..EExtended strand (participates in β ladder)trans-113.7-6.8176.8-69.6-74.9000113.4K76 T77K76-H89 CarbonylContact C-O 3.56Å; K76-H89 WeakPolarHBondContact CA-O 3.17Å; K76-H89 HydrophobicContact CG-CB 4.3Å; K76-H89 WeakPolarHBondContact CG-O 3.37Å; T77-H89 PolarHBondContact N-O 3.26Å; T77-H89 WeakPolarHBondContact OG1-CA 3.33Å; T77-H89 PolarHBondContact OG1-O 2.91Å
90L96.5Very high92.9Very high62 Ų6229 Ų2933%0.32515%0.149SC..EExtended strand (participates in β ladder)trans-113.6134-176.2-66.6174000109.1K76 G102 P103K76-L90 HydrophobicContact CB-CD2 4.32Å; L90-G102 PolarHBondContact O-N 2.91Å; L90-P103 HydrophobicContact CD1-CB 4.2Å
91V96.8Very high93Very high0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-129.7132.5172.2173.90000107.9T74 F75 T77 L81 G100 I137T74-V91 CarbonylContact C-O 3.59Å; T74-V91 WeakPolarHBondContact CA-O 3.11Å; F75-V91 WeakPolarHBondContact CD1-O 3.29Å; F75-V91 HydrophobicContact CE1-CB 3.87Å; F75-V91 HydrophobicContact CE1-CG1 3.76Å; F75-V91 HydrophobicContact CE2-CB 4.14Å; F75-V91 HydrophobicContact CZ-CB 3.67Å; F75-V91 HydrophobicContact CZ-CG1 3.72Å; F75-V91 HydrophobicContact CZ-CG2 4.47Å; F75-V91 PolarHBondContact N-O 2.82Å; F75-V91 PolarHBondContact O-N 3.29Å; T77-V91 HydrophobicContact CG2-CB 4.34Å; T77-V91 HydrophobicContact CG2-CG2 3.59Å; L81-V91 HydrophobicContact CD2-CG2 4.2Å; V91-G100 CarbonylContact C-O 3.59Å; V91-G100 WeakPolarHBondContact CA-O 3.37Å; V91-I137 HydrophobicContact CG1-CD1 4.31Å
92T96.5Very high93Very high5 Ų526.9 Ų26.93%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-114.2121.7176.8-61.90000109.3P72 W73 T74 F94 L99 G100 T105P72-T92 HydrophobicContact CB-CG2 3.71Å; W73-T92 WeakPolarHBondContact O-CA 3.25Å; T74-T92 WeakPolarHBondContact CG2-OG1 3.31Å; T74-T92 WeakPolarHBondContact OG1-CG2 3.43Å; T74-T92 PolarHBondContact OG1-OG1 2.9Å; T92-F94 HydrophobicContact CG2-CD2 4.21Å; T92-F94 HydrophobicContact CG2-CE1 4.28Å; T92-F94 HydrophobicContact CG2-CE2 3.67Å; T92-F94 HydrophobicContact CG2-CZ 3.7Å; T92-L99 CarbonylContact O-C 3.59Å; T92-L99 WeakPolarHBondContact O-CA 3.22Å; T92-G100 PolarHBondContact N-O 3.34Å; T92-G100 PolarHBondContact O-N 3.46Å; T92-T105 PolarHBondContact OG1-OG1 3.31Å
93I95.5Very high92.9Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-95121.9176.9-55.8175.3000109L69 P72 W73 F75 L99 V126 I137 W139L69-I93 HydrophobicContact CD2-CB 4.46Å; L69-I93 HydrophobicContact CD2-CG2 4.28Å; L69-I93 WeakPolarHBondContact CD2-O 3.31Å; P72-I93 CarbonylContact C-O 3.56Å; P72-I93 VanDerWaalsContact CA-O 3.27Å; P72-I93 WeakPolarHBondContact CA-O 3.49Å; W73-I93 HydrophobicContact CB-CB 4.48Å; W73-I93 HydrophobicContact CE3-CD1 3.92Å; W73-I93 HydrophobicContact CZ3-CD1 4.38Å; W73-I93 PolarHBondContact N-O 2.89Å; W73-I93 PolarHBondContact O-N 3.02Å; F75-I93 HydrophobicContact CD1-CD1 4.43Å; F75-I93 HydrophobicContact CE1-CD1 3.7Å; F75-I93 HydrophobicContact CE1-CG1 3.87Å; I93-L99 HydrophobicContact CB-CD2 4.25Å; I93-L99 HydrophobicContact CG1-CD2 3.86Å; I93-L99 HydrophobicContact CG2-CD2 4.19Å; I93-V126 HydrophobicContact CD1-CG1 4.48Å; I93-V126 HydrophobicContact CG2-CG1 4.18Å; I93-I137 HydrophobicContact CD1-CD1 3.87Å; I93-I137 HydrophobicContact CD1-CG1 3.97Å; I93-I137 HydrophobicContact CD1-CG2 3.87Å; I93-I137 HydrophobicContact CG1-CD1 3.97Å; I93-I137 HydrophobicContact CG1-CG2 4.41Å; I93-I137 HydrophobicContact CG2-CG2 4.34Å; I93-W139 HydrophobicContact CG2-CZ2 4.06Å
94F94.3Very high92.5Very high3 Ų334.3 Ų34.31%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-97.1141.5173.3-64.2-90.1000110.8P72 T92 Q96 G97 V98 K107 P108 W139P72-F94 HydrophobicContact CB-CD1 3.93Å; P72-F94 HydrophobicContact CB-CE1 3.87Å; P72-F94 HydrophobicContact CG-CD1 3.63Å; P72-F94 HydrophobicContact CG-CE1 3.62Å; T92-F94 HydrophobicContact CG2-CD2 4.21Å; T92-F94 HydrophobicContact CG2-CE1 4.28Å; T92-F94 HydrophobicContact CG2-CE2 3.67Å; T92-F94 HydrophobicContact CG2-CZ 3.7Å; F94-Q96 HydrophobicContact CB-CG 4.33Å; F94-Q96 PolarHBondContact O-N 2.94Å; F94-G97 PolarHBondContact O-N 3.3Å; F94-V98 HydrophobicContact CB-CB 3.99Å; F94-V98 VanDerWaalsContact CB-O 3.31Å; F94-V98 WeakPolarHBondContact CB-O 3.26Å; F94-V98 HydrophobicContact CD2-CB 4.17Å; F94-V98 HydrophobicContact CD2-CG1 4.06Å; F94-V98 HydrophobicContact CG-CB 4.36Å; F94-V98 PolarHBondContact N-O 2.84Å; F94-K107 VanDerWaalsContact CZ-C 3.49Å; F94-P108 HydrophobicContact CD1-CB 3.96Å; F94-P108 HydrophobicContact CD1-CG 4.47Å; F94-P108 HydrophobicContact CE1-CB 4.25Å; F94-P108 HydrophobicContact CG-CB 4.13Å; F94-W139 PolarHBondContact O-NE1 2.98Å
95P91.3Very high92.2Very high8 Ų834.4 Ų34.45%0.05218%0.177CC..THydrogen-bonded Turntrans-60.4-31.1-176.521.3-31.5000113.5L69 G97 N124 L142L69-P95 HydrophobicContact CB-CB 4.42Å; P95-G97 PolarHBondContact O-N 3.43Å; P95-N124 HydrophobicContact CB-CB 4.37Å; P95-N124 WeakPolarHBondContact O-CB 3.44Å; P95-N124 PolarHBondContact O-ND2 3.49Å; P95-L142 WeakPolarHBondContact O-CD2 3.46Å
96Q90.8Very high92.2Very high19 Ų1940.3 Ų40.39%0.08919%0.193CC..THydrogen-bonded Turntrans-73.81.4-177.157-95.460.600115.6F94 V98 G119 D121F94-Q96 HydrophobicContact CB-CG 4.33Å; F94-Q96 PolarHBondContact O-N 2.94Å; Q96-V98 HydrophobicContact CG-CB 4.36Å; Q96-V98 HydrophobicContact CG-CG2 3.88Å; Q96-G119 WeakPolarHBondContact CB-O 3.25Å; Q96-G119 VanDerWaalsContact O-CA 3.26Å; Q96-G119 WeakPolarHBondContact O-CA 3.27Å; Q96-G119 PolarHBondContact O-N 3Å; Q96-D121 PolarHBondContact NE2-OD1 2.84Å; Q96-D121 VanDerWaalsContact NE2-OD1 3.08Å; Q96-D121 PolarHBondContact OE1-OD1 2.64Å
97G92.7Very high92.2Very high0 Ų043.4 Ų43.40%020%0.203CC..THydrogen-bonded Turntrans90.132.6-175.300000113.4F94 P95 V116 F117F94-G97 PolarHBondContact O-N 3.3Å; P95-G97 PolarHBondContact O-N 3.43Å; G97-V116 WeakPolarHBondContact O-CG2 3.35Å; G97-V116 PolarHBondContact O-N 3.21Å; G97-F117 PolarHBondContact O-N 2.96Å
98V94.7Very high91.8Very high3 Ų335.8 Ų35.82%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-117143.3172.5-179.10000109.3F94 Q96 P108 I113 Q115F94-V98 HydrophobicContact CB-CB 3.99Å; F94-V98 VanDerWaalsContact CB-O 3.31Å; F94-V98 WeakPolarHBondContact CB-O 3.26Å; F94-V98 HydrophobicContact CD2-CB 4.17Å; F94-V98 HydrophobicContact CD2-CG1 4.06Å; F94-V98 HydrophobicContact CG-CB 4.36Å; F94-V98 PolarHBondContact N-O 2.84Å; Q96-V98 HydrophobicContact CG-CB 4.36Å; Q96-V98 HydrophobicContact CG-CG2 3.88Å; V98-P108 HydrophobicContact CB-CB 4.33Å; V98-P108 HydrophobicContact CG1-CB 4.29Å; V98-P108 WeakPolarHBondContact CG1-O 3.49Å; V98-P108 HydrophobicContact CG2-CB 4.41Å; V98-I113 HydrophobicContact CG1-CB 4.13Å; V98-I113 HydrophobicContact CG1-CG2 4.4Å; V98-Q115 HydrophobicContact CG2-CB 4.18Å; V98-Q115 HydrophobicContact CG2-CG 4.02Å
99L95.8Very high91.3Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-118.1126.6172.3-62.8173.1000109.3T92 I93 I113 I114 I137 W139 C180 F182T92-L99 CarbonylContact O-C 3.59Å; T92-L99 WeakPolarHBondContact O-CA 3.22Å; I93-L99 HydrophobicContact CB-CD2 4.25Å; I93-L99 HydrophobicContact CG1-CD2 3.86Å; I93-L99 HydrophobicContact CG2-CD2 4.19Å; L99-I113 CarbonylContact O-C 3.59Å; L99-I113 WeakPolarHBondContact O-CA 3.15Å; L99-I114 HydrophobicContact CB-CB 4.29Å; L99-I114 PolarHBondContact N-O 3.26Å; L99-I114 PolarHBondContact O-N 2.76Å; L99-I137 HydrophobicContact CD1-CD1 4.09Å; L99-I137 HydrophobicContact CD2-CD1 3.55Å; L99-I137 HydrophobicContact CD2-CG2 4.39Å; L99-I137 HydrophobicContact CG-CD1 4.49Å; L99-W139 HydrophobicContact CD1-CH2 3.82Å; L99-W139 HydrophobicContact CD2-CH2 3.57Å; L99-W139 HydrophobicContact CD2-CZ2 3.65Å; L99-W139 HydrophobicContact CG-CH2 3.6Å; L99-W139 HydrophobicContact CG-CZ2 3.98Å; L99-C180 HydrophobicContact CD1-CB 4.12Å; L99-F182 HydrophobicContact CD1-CE2 3.43Å; L99-F182 VanDerWaalsContact CD1-CE2 3.43Å; L99-F182 HydrophobicContact CD1-CZ 3.5Å; L99-F182 VanDerWaalsContact CD1-CZ 3.5Å
100G96.7Very high90.7Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-91.7140.5166.900000111.3V91 T92 N112V91-G100 CarbonylContact C-O 3.59Å; V91-G100 WeakPolarHBondContact CA-O 3.37Å; T92-G100 PolarHBondContact N-O 3.34Å; T92-G100 PolarHBondContact O-N 3.46Å; G100-N112 CarbonylContact C-O 3.59Å
101I95.7Very high90.4Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-120.7121.4179.1-60.8176000109.2L81 Y83 Y88 N112 I114 F182L81-I101 HydrophobicContact CD2-CD1 3.98Å; L81-I101 HydrophobicContact CD2-CG1 4.25Å; L81-I101 HydrophobicContact CD2-CG2 4.11Å; Y83-I101 HydrophobicContact CD1-CB 4.42Å; Y83-I101 HydrophobicContact CD1-CD1 4.05Å; Y83-I101 HydrophobicContact CD1-CG2 4.24Å; Y83-I101 HydrophobicContact CD2-CD1 3.48Å; Y83-I101 VanDerWaalsContact CD2-CD1 3.48Å; Y83-I101 HydrophobicContact CE1-CD1 4.21Å; Y83-I101 HydrophobicContact CE2-CD1 3.68Å; Y83-I101 HydrophobicContact CG-CD1 3.68Å; Y83-I101 HydrophobicContact CG-CG2 4.23Å; Y88-I101 HydrophobicContact CD1-CG2 4.41Å; Y88-I101 HydrophobicContact CD2-CG2 3.51Å; Y88-I101 HydrophobicContact CE2-CG2 4.22Å; Y88-I101 HydrophobicContact CG-CG2 3.6Å; I101-N112 HydrophobicContact CB-CB 4.16Å; I101-N112 PolarHBondContact N-O 2.97Å; I101-N112 VanDerWaalsContact O-CB 3.31Å; I101-N112 WeakPolarHBondContact O-CB 3.28Å; I101-I114 HydrophobicContact CD1-CD1 3.69Å; I101-I114 HydrophobicContact CD1-CG1 3.84Å; I101-F182 HydrophobicContact CD1-CE1 4.08Å; I101-F182 HydrophobicContact CD1-CZ 4.49Å
102G94.2Very high90.2Very high2 Ų234.8 Ų34.82%0.02118%0.182CC..SBendtrans90.7-175.7-179.900000114.5L90 T105L90-G102 PolarHBondContact O-N 2.91Å; G102-T105 PolarHBondContact O-OG1 2.88Å
103P89.7Confident90.1Very high94 Ų9434.8 Ų34.861%0.6118%0.182SC*.THydrogen-bonded Turntrans-76.4-22.7-169.928.7-33.7000114.1L90 T105L90-P103 HydrophobicContact CD1-CB 4.2Å; P103-T105 VanDerWaalsContact C-N 3.28Å; P103-T105 PolarHBondContact O-N 3.02Å
104E82.3Confident90.1Very high95 Ų9534.8 Ų34.844%0.44418%0.182SC..THydrogen-bonded Turntrans-83.6-0.1-171.8-65.2174.9-175.300113.8E106E104-E106 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact O-N 3.1Å
105T82.5Confident90.1Very high7 Ų736.1 Ų36.14%0.04319%0.188CC..  trans-91.669.2-174.766.60000111.4T92 G102 P103 N112T92-T105 PolarHBondContact OG1-OG1 3.31Å; G102-T105 PolarHBondContact O-OG1 2.88Å; P103-T105 VanDerWaalsContact C-N 3.28Å; P103-T105 PolarHBondContact O-N 3.02Å; T105-N112 WeakPolarHBondContact CG2-O 3.06Å
106E82.2Confident90.2Very high166 Ų16635.8 Ų35.878%0.77619%0.186SC*.SBendtrans-80.3-27.1172.4-66.1-171.8172.300112.3E104E104-E106 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact O-N 3.1Å
107K86.1Confident90.2Very high136 Ų13635.1 Ų35.159%0.59118%0.183SC*.SBendtrans-124.2151.9-178-60.5176.7-175.2171.60110.5F94 D109 S110F94-K107 VanDerWaalsContact CZ-C 3.49Å; K107-D109 PolarHBondContact O-N 3.33Å; K107-S110 WeakPolarHBondContact CB-OG 3.42Å; K107-S110 PolarHBondContact O-N 3.03Å
108P82.7Confident89.8Confident28 Ų2840.1 Ų40.118%0.18221%0.21CC..THydrogen-bonded Turntrans-64.4-19.6-179.928.3-38.1000113.4F94 V98 I113F94-P108 HydrophobicContact CD1-CB 3.96Å; F94-P108 HydrophobicContact CD1-CG 4.47Å; F94-P108 HydrophobicContact CE1-CB 4.25Å; F94-P108 HydrophobicContact CG-CB 4.13Å; V98-P108 HydrophobicContact CB-CB 4.33Å; V98-P108 HydrophobicContact CG1-CB 4.29Å; V98-P108 WeakPolarHBondContact CG1-O 3.49Å; V98-P108 HydrophobicContact CG2-CB 4.41Å; P108-I113 WeakPolarHBondContact O-CD1 3.49Å
109D84.2Confident89.4Confident122 Ų12240.4 Ų40.465%0.65221%0.213SC*.THydrogen-bonded Turntrans-108.27.8-172.9-55.8-28.9000113.6K107K107-D109 PolarHBondContact O-N 3.33Å
110S84.5Confident88.8Confident36 Ų3644.7 Ų44.725%0.25223%0.233SC..SBendtrans-132.6146.4-175.364.50000112.8K107 I113K107-S110 WeakPolarHBondContact CB-OG 3.42Å; K107-S110 PolarHBondContact O-N 3.03Å; S110-I113 WeakPolarHBondContact O-CG2 3.24Å
111G89.4Confident88Confident4 Ų450.3 Ų50.34%0.04126%0.263CS..SBendtrans81.8-151.2178.800000112.8I113 E210G111-I113 PolarHBondContact O-N 3.13Å; G111-E210 PolarHBondContact N-OE2 3.49Å
112N92.8Very high87.1Confident3 Ų351.3 Ų51.32%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-86.3100.1-178.6-56.4-50000109.7Y83 Y88 G100 I101 T105 V208 H209 E210Y83-N112 HydrophobicContact CD1-CB 4.04Å; Y83-N112 HydrophobicContact CE1-CB 3.72Å; Y88-N112 PolarHBondContact OH-ND2 3.25Å; G100-N112 CarbonylContact C-O 3.59Å; I101-N112 HydrophobicContact CB-CB 4.16Å; I101-N112 PolarHBondContact N-O 2.97Å; I101-N112 VanDerWaalsContact O-CB 3.31Å; I101-N112 WeakPolarHBondContact O-CB 3.28Å; T105-N112 WeakPolarHBondContact CG2-O 3.06Å; N112-V208 CarbonylContact C-O 3.54Å; N112-V208 WeakPolarHBondContact CA-O 3.35Å; N112-H209 WeakPolarHBondContact OD1-CA 3.42Å; N112-H209 PolarHBondContact OD1-ND1 3.4Å; N112-E210 PolarHBondContact OD1-N 3.21Å; N112-E210 VanDerWaalsContact OD1-N 3.12Å; N112-E210 PolarHBondContact OD1-O 2.82Å
113I94.4Very high86Confident4 Ų459.1 Ų59.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-119.1147.9-174.563.2167.1000112.2Y83 V98 L99 P108 S110 G111 V208Y83-I113 PolarHBondContact OH-O 3.26Å; Y83-I113 VanDerWaalsContact OH-O 3.05Å; V98-I113 HydrophobicContact CG1-CB 4.13Å; V98-I113 HydrophobicContact CG1-CG2 4.4Å; L99-I113 CarbonylContact O-C 3.59Å; L99-I113 WeakPolarHBondContact O-CA 3.15Å; P108-I113 WeakPolarHBondContact O-CD1 3.49Å; S110-I113 WeakPolarHBondContact O-CG2 3.24Å; G111-I113 PolarHBondContact O-N 3.13Å; I113-V208 HydrophobicContact CD1-CB 4.43Å; I113-V208 HydrophobicContact CD1-CG2 4.11Å; I113-V208 HydrophobicContact CG1-CB 3.61Å; I113-V208 HydrophobicContact CG1-CG1 4.43Å; I113-V208 HydrophobicContact CG1-CG2 3.74Å; I113-V208 PolarHBondContact N-O 3.41Å; I113-V208 PolarHBondContact O-N 3.39Å
114I95.3Very high85.7Confident0 Ų054.6 Ų54.60%028%0.275CS..EExtended strand (participates in β ladder)trans-117.9105.7164.3-52.2-168.3000107.4Y83 L99 I101 V116 F182 I188 I190 K206 L207Y83-I114 HydrophobicContact CD2-CD1 4.28Å; Y83-I114 HydrophobicContact CE2-CD1 3.61Å; Y83-I114 HydrophobicContact CE2-CG1 3.78Å; L99-I114 HydrophobicContact CB-CB 4.29Å; L99-I114 PolarHBondContact N-O 3.26Å; L99-I114 PolarHBondContact O-N 2.76Å; I101-I114 HydrophobicContact CD1-CD1 3.69Å; I101-I114 HydrophobicContact CD1-CG1 3.84Å; I114-V116 HydrophobicContact CG2-CG1 3.91Å; I114-V116 PolarHBondContact O-N 3.47Å; I114-F182 HydrophobicContact CD1-CE1 3.46Å; I114-F182 VanDerWaalsContact CD1-CE1 3.46Å; I114-F182 HydrophobicContact CD1-CZ 3.7Å; I114-I188 HydrophobicContact CD1-CD1 3.78Å; I114-I188 HydrophobicContact CD1-CG2 4.29Å; I114-I190 HydrophobicContact CG2-CD1 4.48Å; I114-K206 CarbonylContact C-O 3.54Å; I114-K206 WeakPolarHBondContact CA-O 3.29Å; I114-L207 HydrophobicContact CD1-CG 4.24Å; I114-L207 HydrophobicContact CG1-CG 4.16Å; I114-L207 HydrophobicContact CG2-CD1 3.99Å; I114-L207 HydrophobicContact CG2-CG 4.19Å
115Q94.7Very high86.1Confident32 Ų3251.8 Ų51.815%0.1526%0.262CS..EExtended strand (participates in β ladder)trans-89.6101.6172.9178.5172.821.700108V98 D118 K206V98-Q115 HydrophobicContact CG2-CB 4.18Å; V98-Q115 HydrophobicContact CG2-CG 4.02Å; Q115-D118 PolarHBondContact NE2-OD1 2.96Å; Q115-K206 HydrophobicContact CB-CB 4.16Å; Q115-K206 PolarHBondContact N-O 2.8Å; Q115-K206 PolarHBondContact O-N 3Å
116V93.2Very high86.5Confident0 Ų051.5 Ų51.50%026%0.26CS..SBendtrans-83.2-23.2176.9-57.70000111.5G97 I114 W139 I178 C180 I190 Y192G97-V116 WeakPolarHBondContact O-CG2 3.35Å; G97-V116 PolarHBondContact O-N 3.21Å; I114-V116 HydrophobicContact CG2-CG1 3.91Å; I114-V116 PolarHBondContact O-N 3.47Å; V116-W139 HydrophobicContact CG2-CE3 4.26Å; V116-W139 HydrophobicContact CG2-CH2 3.8Å; V116-W139 HydrophobicContact CG2-CZ2 4.42Å; V116-W139 HydrophobicContact CG2-CZ3 3.73Å; V116-I178 HydrophobicContact CB-CG2 4.21Å; V116-I178 HydrophobicContact CG2-CD1 4.25Å; V116-I178 HydrophobicContact CG2-CG2 3.96Å; V116-C180 HydrophobicContact CG1-CB 4.35Å; V116-I190 HydrophobicContact CB-CG2 4.25Å; V116-I190 HydrophobicContact CG1-CD1 3.81Å; V116-I190 HydrophobicContact CG1-CG1 4.19Å; V116-I190 HydrophobicContact CG1-CG2 4.19Å; V116-Y192 WeakPolarHBondContact O-CE1 3.46Å; V116-Y192 PolarHBondContact O-OH 2.62Å
117F89.7Confident87.1Confident6 Ų644.7 Ų44.73%0.02623%0.228CC..  trans-161.4154178.2-161.7-99.1000110.7G97 L142 T144 V176 I178 I199 S203G97-F117 PolarHBondContact O-N 2.96Å; F117-L142 HydrophobicContact CB-CD1 4.22Å; F117-L142 HydrophobicContact CD1-CD1 4.41Å; F117-L142 HydrophobicContact CG-CD1 4.5Å; F117-T144 HydrophobicContact CE1-CG2 3.53Å; F117-T144 HydrophobicContact CZ-CG2 3.56Å; F117-V176 HydrophobicContact CD2-CG1 4.46Å; F117-V176 HydrophobicContact CE2-CG1 4.38Å; F117-V176 HydrophobicContact CE2-CG2 4.25Å; F117-V176 HydrophobicContact CZ-CG2 4.02Å; F117-I178 HydrophobicContact CB-CD1 3.36Å; F117-I178 HydrophobicContact CD2-CD1 3.93Å; F117-I178 HydrophobicContact CG-CD1 3.76Å; F117-I199 HydrophobicContact CE2-CG2 4.05Å; F117-I199 HydrophobicContact CZ-CG2 3.62Å; F117-S203 WeakPolarHBondContact CE2-OG 3.26Å
118D86Confident87.5Confident105 Ų10541.9 Ų41.956%0.56121%0.214SC*.  trans-102.571.3175-167.526.3000110Q115Q115-D118 PolarHBondContact NE2-OD1 2.96Å
119G84.8Confident88Confident9 Ų943.5 Ų43.59%0.09322%0.218CC..BIsolated β-bridgetrans-78.1169.218000000112.7Q96 N143Q96-G119 WeakPolarHBondContact CB-O 3.25Å; Q96-G119 VanDerWaalsContact O-CA 3.26Å; Q96-G119 WeakPolarHBondContact O-CA 3.27Å; Q96-G119 PolarHBondContact O-N 3Å; G119-N143 WeakPolarHBondContact CA-O 3.44Å
120E84.6Confident88.5Confident89 Ų8939.4 Ų39.442%0.41620%0.196SC..  trans-87.1144.3169.6-170.2165.5-158.800110.6G122 N124 N143 R145E120-G122 PolarHBondContact O-N 3Å; E120-N124 PolarHBondContact O-ND2 3.38Å; E120-N143 PolarHBondContact N-O 3.16Å; E120-R145 HydrophobicContact CB-CB 4.45Å
121D79.4Confident89Confident118 Ų11839.1 Ų39.163%0.63119%0.194SC*.SBendtrans-60107.7168.9-67.7-24.3000108.3Q96Q96-D121 PolarHBondContact NE2-OD1 2.84Å; Q96-D121 VanDerWaalsContact NE2-OD1 3.08Å; Q96-D121 PolarHBondContact OE1-OD1 2.64Å
122G75.9Confident89.3Confident22 Ų2244.7 Ų44.723%0.22722%0.222CC..SBendtrans-161.7-173.4-173.400000113.1E120 N124E120-G122 PolarHBondContact O-N 3Å; G122-N124 PolarHBondContact O-N 2.82Å
123Y72.5Confident89.4Confident165 Ų16551.1 Ų51.165%0.64725%0.252SS*.  trans-69.377.9176.5-70.1-103.9000110.1F70F70-Y123 HydrophobicContact CD1-CD1 4.49Å; F70-Y123 HydrophobicContact CD1-CE1 4.42Å; F70-Y123 AromaticContact CE1-CD1 3.19Å; F70-Y123 HydrophobicContact CE1-CD1 3.19Å; F70-Y123 HydrophobicContact CE1-CD2 4.19Å; F70-Y123 AromaticContact CE1-CE1 3.11Å; F70-Y123 HydrophobicContact CE1-CE1 3.11Å; F70-Y123 HydrophobicContact CE1-CE2 4.12Å; F70-Y123 AromaticContact CE1-CG 3.73Å; F70-Y123 HydrophobicContact CE1-CG 3.73Å; F70-Y123 AromaticContact CE1-CZ 3.58Å; F70-Y123 AromaticContact CZ-CD1 3.28Å; F70-Y123 HydrophobicContact CZ-CD1 3.28Å; F70-Y123 AromaticContact CZ-CE1 3.2Å; F70-Y123 HydrophobicContact CZ-CE1 3.2Å; F70-Y123 HydrophobicContact CZ-CG 4.23Å
124N83Confident89.5Confident0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-99.1135.1179.4-61.1-34.9000109.4L69 P95 E120 G122 R141 L142 N143L69-N124 PolarHBondContact N-O 3.26Å; P95-N124 HydrophobicContact CB-CB 4.37Å; P95-N124 WeakPolarHBondContact O-CB 3.44Å; P95-N124 PolarHBondContact O-ND2 3.49Å; E120-N124 PolarHBondContact O-ND2 3.38Å; G122-N124 PolarHBondContact O-N 2.82Å; N124-R141 WeakPolarHBondContact CA-O 3.42Å; N124-R141 WeakPolarHBondContact CB-O 3.2Å; N124-R141 PolarHBondContact OD1-O 2.86Å; N124-R141 VanDerWaalsContact OD1-O 3.07Å; N124-L142 HydrophobicContact CB-CD2 4.37Å; N124-N143 PolarHBondContact OD1-N 3.5Å; N124-N143 VanDerWaalsContact OD1-N 3.15Å
125E89.5Confident89.5Confident36 Ų3652.6 Ų52.617%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-97.2122.2-179.9-80.5172.5-149.700108.9P66 H68 W139 V140 R141P66-E125 HydrophobicContact CB-CB 3.82Å; P66-E125 HydrophobicContact CB-CG 4.24Å; P66-E125 HydrophobicContact CG-CB 4.07Å; P66-E125 HydrophobicContact CG-CG 4.03Å; P66-E125 WeakPolarHBondContact CG-OE2 3.37Å; H68-E125 IonicContact CE1-OE1 2.68Å; E125-W139 CarbonylContact O-C 3.55Å; E125-V140 HydrophobicContact CB-CB 3.9Å; E125-V140 HydrophobicContact CB-CG2 4.43Å; E125-V140 PolarHBondContact O-N 3.06Å; E125-R141 IonicContact OE1-NH1 3.66Å; E125-R141 PolarHBondContact OE1-NH1 3.01Å
126V92Very high89.6Confident0 Ų051.1 Ų51.10%025%0.252CS..EExtended strand (participates in β ladder)trans-124.2136.8-178.4-172.10000111.1N67 L69 I93 I137 K138 W139N67-V126 PolarHBondContact N-O 2.84Å; N67-V126 PolarHBondContact O-N 2.86Å; L69-V126 HydrophobicContact CB-CG2 4.26Å; L69-V126 HydrophobicContact CD1-CB 3.63Å; L69-V126 HydrophobicContact CD1-CG1 4.38Å; L69-V126 HydrophobicContact CD1-CG2 3.78Å; L69-V126 HydrophobicContact CG-CG2 4.49Å; I93-V126 HydrophobicContact CD1-CG1 4.48Å; I93-V126 HydrophobicContact CG2-CG1 4.18Å; V126-I137 HydrophobicContact CG1-CG2 3.85Å; V126-K138 CarbonylContact C-O 3.51Å; V126-K138 VanDerWaalsContact CA-O 3.3Å; V126-K138 WeakPolarHBondContact CA-O 2.85Å; V126-W139 HydrophobicContact CG2-CG 4.18Å
127Q93.8Very high89.7Confident24 Ų2451.1 Ų51.111%0.11225%0.252CS..EExtended strand (participates in β ladder)trans-111.9143.7169.7-65.1176.7-22.300109.4F60 I63 P66 I137 K138 V140F60-Q127 HydrophobicContact CD1-CB 3.76Å; F60-Q127 HydrophobicContact CE1-CB 3.88Å; I63-Q127 HydrophobicContact CG2-CB 4.2Å; I63-Q127 HydrophobicContact CG2-CG 3.95Å; P66-Q127 HydrophobicContact CB-CG 3.85Å; Q127-I137 WeakPolarHBondContact O-CA 3.4Å; Q127-K138 HydrophobicContact CB-CB 4.23Å; Q127-K138 PolarHBondContact N-O 2.96Å; Q127-K138 PolarHBondContact O-N 3.24Å; Q127-V140 HydrophobicContact CG-CG2 3.98Å
128R94.2Very high90Very high77 Ų7752.6 Ų52.629%0.29126%0.258SS..EExtended strand (participates in β ladder)trans-131133.4176.9-177.1-171.868.8123.73.9109.1W73 F75 D130 A136W73-R128 HydrophobicContact CH2-CB 3.82Å; W73-R128 HydrophobicContact CH2-CG 4.45Å; W73-R128 VanDerWaalsContact CH2-NE 3.26Å; W73-R128 HydrophobicContact CZ3-CB 3.68Å; W73-R128 HydrophobicContact CZ3-CG 4.49Å; F75-R128 VanDerWaalsContact CG-NH1 3.26Å; F75-R128 HydrophobicContact CZ-CG 4.37Å; R128-D130 IonicContact NH1-OD2 3.18Å; R128-D130 PolarHBondContact NH1-OD2 3.38Å; R128-A136 CarbonylContact C-O 3.58Å; R128-A136 WeakPolarHBondContact CA-O 3.35Å
129K94.6Very high90.4Very high61 Ų6147.6 Ų47.627%0.26523%0.231SC..EExtended strand (participates in β ladder)trans-121.2129.6165.6-168.6161.4174.4170.80107.9I59 D62 I63 F134 I135 A136I59-K129 HydrophobicContact CG2-CB 4.46Å; I59-K129 HydrophobicContact CG2-CD 3.79Å; I59-K129 WeakPolarHBondContact O-CD 3.38Å; I59-K129 PolarHBondContact O-NZ 3.42Å; D62-K129 IonicContact OD2-NZ 3.48Å; I63-K129 HydrophobicContact CD1-CB 3.91Å; I63-K129 HydrophobicContact CD1-CD 4.47Å; K129-F134 HydrophobicContact CG-CE2 4.41Å; K129-I135 CarbonylContact O-C 3.54Å; K129-I135 WeakPolarHBondContact O-CA 3.1Å; K129-A136 HydrophobicContact CB-CB 4.38Å; K129-A136 PolarHBondContact N-O 3.15Å; K129-A136 PolarHBondContact O-N 3.43Å
130D94.3Very high90.7Very high37 Ų3749.1 Ų49.120%0.19824%0.239CC..EExtended strand (participates in β ladder)trans-127.6126.8-177.3-167.5-7.9000107.7R128 I135R128-D130 IonicContact NH1-OD2 3.18Å; R128-D130 PolarHBondContact NH1-OD2 3.38Å; D130-I135 WeakPolarHBondContact OD1-CG1 3.16Å
131S94.9Very high90.8Very high29 Ų2950.3 Ų50.320%0.20324%0.24CC..  trans-139.4174.1-178.572.20000109.4F79 E133 F134F79-S131 VanDerWaalsContact CD1-O 3.24Å; F79-S131 WeakPolarHBondContact CD1-O 3.48Å; F79-S131 VanDerWaalsContact CE1-O 3.23Å; F79-S131 WeakPolarHBondContact CE1-O 3.17Å; S131-E133 PolarHBondContact O-N 3.43Å; S131-E133 PolarHBondContact OG-N 2.97Å; S131-F134 PolarHBondContact N-O 3.29Å; S131-F134 WeakPolarHBondContact OG-CD1 3.08Å; S131-F134 PolarHBondContact OG-N 3.46Å; S131-F134 PolarHBondContact OG-O 2.64Å
132N94.8Very high91.1Very high121 Ų12144.7 Ų44.765%0.64721%0.21SC*.SBendtrans-70.4-15.5176.1-65.6-22.3000113.3F79F79-N132 WeakPolarHBondContact CD1-O 3.47Å
133E95.4Very high91.4Very high138 Ų13845.6 Ų45.665%0.64521%0.209SC*.SBendtrans-104.6-33.4-175.1-65.4-178.9174.900112.8S131 Y183 S184S131-E133 PolarHBondContact O-N 3.43Å; S131-E133 PolarHBondContact OG-N 2.97Å; E133-Y183 CarbonylContact O-C 3.54Å; E133-Y183 WeakPolarHBondContact O-CA 3.49Å; E133-S184 WeakPolarHBondContact O-CB 3.45Å; E133-S184 PolarHBondContact O-N 2.88Å; E133-S184 PolarHBondContact O-OG 3.11Å
134F96.5Very high91.7Very high36 Ų3638.4 Ų38.416%0.15818%0.182CC..EExtended strand (participates in β ladder)trans-155.3159.4-178.566.5-92.7000113I59 K129 S131 A136 I181 F182 Y183I59-F134 HydrophobicContact CD1-CE2 4.48Å; I59-F134 HydrophobicContact CG2-CE2 3.61Å; I59-F134 HydrophobicContact CG2-CZ 4Å; K129-F134 HydrophobicContact CG-CE2 4.41Å; S131-F134 PolarHBondContact N-O 3.29Å; S131-F134 WeakPolarHBondContact OG-CD1 3.08Å; S131-F134 PolarHBondContact OG-N 3.46Å; S131-F134 PolarHBondContact OG-O 2.64Å; F134-A136 HydrophobicContact CD2-CB 4.06Å; F134-A136 HydrophobicContact CE2-CB 4.08Å; F134-I181 HydrophobicContact CB-CG2 4.09Å; F134-I181 HydrophobicContact CD2-CG2 4.31Å; F134-I181 HydrophobicContact CG-CG2 4.45Å; F134-F182 CarbonylContact C-O 3.56Å; F134-F182 WeakPolarHBondContact CA-O 3.49Å; F134-F182 VanDerWaalsContact CB-O 3.23Å; F134-F182 WeakPolarHBondContact CB-O 3.43Å; F134-Y183 HydrophobicContact CB-CD1 4.05Å; F134-Y183 HydrophobicContact CB-CE1 4.42Å
135I96.4Very high91.1Very high0 Ų044.4 Ų44.40%021%0.205CC..EExtended strand (participates in β ladder)trans-117122.2166.6-62.2150.9000107.2F75 T77 F79 K129 D130 I137 I181 F182F75-I135 HydrophobicContact CE2-CG2 4.21Å; F75-I135 HydrophobicContact CZ-CG2 3.94Å; T77-I135 HydrophobicContact CG2-CD1 3.29Å; F79-I135 HydrophobicContact CE1-CD1 4Å; F79-I135 HydrophobicContact CE1-CG1 3.82Å; F79-I135 HydrophobicContact CE2-CD1 4.34Å; F79-I135 HydrophobicContact CZ-CD1 3.71Å; F79-I135 HydrophobicContact CZ-CG1 3.84Å; K129-I135 CarbonylContact O-C 3.54Å; K129-I135 WeakPolarHBondContact O-CA 3.1Å; D130-I135 WeakPolarHBondContact OD1-CG1 3.16Å; I135-I137 HydrophobicContact CG2-CD1 4.24Å; I135-I137 HydrophobicContact CG2-CG1 4.1Å; I135-I181 CarbonylContact O-C 3.55Å; I135-I181 WeakPolarHBondContact O-CA 3.4Å; I135-F182 HydrophobicContact CB-CB 4.4Å; I135-F182 PolarHBondContact N-O 3.2Å; I135-F182 PolarHBondContact O-N 3.47Å
136A96.8Very high89.8Confident0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-112.4129.5175.500000109.9I59 F60 R128 K129 F134 C180 I181I59-A136 HydrophobicContact CG2-CB 3.8Å; F60-A136 HydrophobicContact CE1-CB 4.37Å; F60-A136 HydrophobicContact CE2-CB 3.89Å; F60-A136 HydrophobicContact CZ-CB 3.49Å; F60-A136 VanDerWaalsContact CZ-CB 3.49Å; R128-A136 CarbonylContact C-O 3.58Å; R128-A136 WeakPolarHBondContact CA-O 3.35Å; K129-A136 HydrophobicContact CB-CB 4.38Å; K129-A136 PolarHBondContact N-O 3.15Å; K129-A136 PolarHBondContact O-N 3.43Å; F134-A136 HydrophobicContact CD2-CB 4.06Å; F134-A136 HydrophobicContact CE2-CB 4.08Å; A136-C180 WeakPolarHBondContact CA-O 3.35Å; A136-I181 HydrophobicContact CB-CG1 4.15Å
137I95.7Very high87.9Confident0 Ų048.4 Ų48.40%023%0.233CC..EExtended strand (participates in β ladder)trans-123.1123.7179.8-59.3166000107.5V91 I93 L99 V126 Q127 I135 W139 V179 C180 F182V91-I137 HydrophobicContact CG1-CD1 4.31Å; I93-I137 HydrophobicContact CD1-CD1 3.87Å; I93-I137 HydrophobicContact CD1-CG1 3.97Å; I93-I137 HydrophobicContact CD1-CG2 3.87Å; I93-I137 HydrophobicContact CG1-CD1 3.97Å; I93-I137 HydrophobicContact CG1-CG2 4.41Å; I93-I137 HydrophobicContact CG2-CG2 4.34Å; L99-I137 HydrophobicContact CD1-CD1 4.09Å; L99-I137 HydrophobicContact CD2-CD1 3.55Å; L99-I137 HydrophobicContact CD2-CG2 4.39Å; L99-I137 HydrophobicContact CG-CD1 4.49Å; V126-I137 HydrophobicContact CG1-CG2 3.85Å; Q127-I137 WeakPolarHBondContact O-CA 3.4Å; I135-I137 HydrophobicContact CG2-CD1 4.24Å; I135-I137 HydrophobicContact CG2-CG1 4.1Å; I137-W139 HydrophobicContact CB-CH2 4.48Å; I137-W139 HydrophobicContact CB-CZ3 4.38Å; I137-W139 HydrophobicContact CG2-CD2 4.39Å; I137-W139 HydrophobicContact CG2-CE3 4.15Å; I137-W139 HydrophobicContact CG2-CH2 3.79Å; I137-W139 HydrophobicContact CG2-CZ2 4.02Å; I137-W139 HydrophobicContact CG2-CZ3 3.84Å; I137-V179 CarbonylContact O-C 3.54Å; I137-V179 WeakPolarHBondContact O-CA 3.38Å; I137-C180 PolarHBondContact N-O 3.1Å; I137-C180 PolarHBondContact O-N 3.4Å; I137-F182 HydrophobicContact CD1-CE2 4.26Å
138K95.3Very high86Confident37 Ų3754.1 Ų54.116%0.16126%0.258CS..EExtended strand (participates in β ladder)trans-120.7116-179.7173.3172.1176.9178.90109.7F60 V126 Q127 V140 Q177 I178 V179F60-K138 HydrophobicContact CB-CD 4.3Å; F60-K138 HydrophobicContact CD1-CB 3.99Å; F60-K138 HydrophobicContact CD1-CD 4.21Å; F60-K138 HydrophobicContact CD2-CB 4.17Å; F60-K138 HydrophobicContact CD2-CD 3.87Å; F60-K138 HydrophobicContact CE1-CB 3.57Å; F60-K138 HydrophobicContact CE2-CB 3.74Å; F60-K138 HydrophobicContact CE2-CD 4.26Å; F60-K138 HydrophobicContact CG-CB 4.29Å; F60-K138 HydrophobicContact CG-CD 3.86Å; F60-K138 HydrophobicContact CZ-CB 3.42Å; F60-K138 VanDerWaalsContact CZ-CB 3.42Å; V126-K138 CarbonylContact C-O 3.51Å; V126-K138 VanDerWaalsContact CA-O 3.3Å; V126-K138 WeakPolarHBondContact CA-O 2.85Å; Q127-K138 HydrophobicContact CB-CB 4.23Å; Q127-K138 PolarHBondContact N-O 2.96Å; Q127-K138 PolarHBondContact O-N 3.24Å; K138-V140 HydrophobicContact CG-CG2 4.22Å; K138-V140 PolarHBondContact O-N 3.43Å; K138-Q177 VanDerWaalsContact CE-NE2 3.29Å; K138-I178 CarbonylContact C-O 3.59Å; K138-I178 WeakPolarHBondContact CA-O 3.43Å; K138-V179 HydrophobicContact CB-CG2 3.81Å; K138-V179 HydrophobicContact CD-CG2 3.94Å; K138-V179 HydrophobicContact CG-CG2 3.69Å
139W93.6Very high83.9Confident0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-84.7110.4163.8-61-103.4000108.3I93 F94 L99 V116 E125 V126 I137 L142 Q177 I178 C180I93-W139 HydrophobicContact CG2-CZ2 4.06Å; F94-W139 PolarHBondContact O-NE1 2.98Å; L99-W139 HydrophobicContact CD1-CH2 3.82Å; L99-W139 HydrophobicContact CD2-CH2 3.57Å; L99-W139 HydrophobicContact CD2-CZ2 3.65Å; L99-W139 HydrophobicContact CG-CH2 3.6Å; L99-W139 HydrophobicContact CG-CZ2 3.98Å; V116-W139 HydrophobicContact CG2-CE3 4.26Å; V116-W139 HydrophobicContact CG2-CH2 3.8Å; V116-W139 HydrophobicContact CG2-CZ2 4.42Å; V116-W139 HydrophobicContact CG2-CZ3 3.73Å; E125-W139 CarbonylContact O-C 3.55Å; V126-W139 HydrophobicContact CG2-CG 4.18Å; I137-W139 HydrophobicContact CB-CH2 4.48Å; I137-W139 HydrophobicContact CB-CZ3 4.38Å; I137-W139 HydrophobicContact CG2-CD2 4.39Å; I137-W139 HydrophobicContact CG2-CE3 4.15Å; I137-W139 HydrophobicContact CG2-CH2 3.79Å; I137-W139 HydrophobicContact CG2-CZ2 4.02Å; I137-W139 HydrophobicContact CG2-CZ3 3.84Å; W139-L142 HydrophobicContact CB-CD1 3.67Å; W139-L142 HydrophobicContact CB-CD2 4.14Å; W139-L142 HydrophobicContact CB-CG 3.58Å; W139-L142 HydrophobicContact CD2-CD1 4.41Å; W139-L142 HydrophobicContact CG-CD1 3.84Å; W139-L142 HydrophobicContact CG-CD2 3.98Å; W139-L142 HydrophobicContact CG-CG 3.91Å; W139-Q177 WeakPolarHBondContact O-CA 3.34Å; W139-I178 HydrophobicContact CE3-CB 4.17Å; W139-I178 HydrophobicContact CE3-CG2 4.41Å; W139-I178 PolarHBondContact N-O 3.06Å; W139-I178 PolarHBondContact O-N 3.38Å; W139-I178 VanDerWaalsContact O-N 3.15Å; W139-C180 HydrophobicContact CH2-CB 4.37Å; W139-C180 HydrophobicContact CZ3-CB 3.86Å
140V90.8Very high81.6Confident41 Ų4160.8 Ų60.825%0.24829%0.288CS..EExtended strand (participates in β ladder)trans-73.3-36.3-176.9-1780000110.7P66 E125 Q127 K138P66-V140 HydrophobicContact CB-CG2 4.19Å; E125-V140 HydrophobicContact CB-CB 3.9Å; E125-V140 HydrophobicContact CB-CG2 4.43Å; E125-V140 PolarHBondContact O-N 3.06Å; Q127-V140 HydrophobicContact CG-CG2 3.98Å; K138-V140 HydrophobicContact CG-CG2 4.22Å; K138-V140 PolarHBondContact O-N 3.43Å
141R87Confident79.2Confident115 Ų11566.6 Ų66.643%0.43431%0.314SS..EExtended strand (participates in β ladder)trans-146.2101.5179.8-176.3178.3-69.6144.2-1.9109.1N124 E125 T175N124-R141 WeakPolarHBondContact CA-O 3.42Å; N124-R141 WeakPolarHBondContact CB-O 3.2Å; N124-R141 PolarHBondContact OD1-O 2.86Å; N124-R141 VanDerWaalsContact OD1-O 3.07Å; E125-R141 IonicContact OE1-NH1 3.66Å; E125-R141 PolarHBondContact OE1-NH1 3.01Å; R141-T175 HydrophobicContact CG-CG2 3.58Å
142L85.8Confident76.8Confident0 Ų074.6 Ų74.60%034%0.341CS..EExtended strand (participates in β ladder)trans-95.2122.9165.9-77.5166000109.6P95 F117 N124 W139 V176 I178P95-L142 WeakPolarHBondContact O-CD2 3.46Å; F117-L142 HydrophobicContact CB-CD1 4.22Å; F117-L142 HydrophobicContact CD1-CD1 4.41Å; F117-L142 HydrophobicContact CG-CD1 4.5Å; N124-L142 HydrophobicContact CB-CD2 4.37Å; W139-L142 HydrophobicContact CB-CD1 3.67Å; W139-L142 HydrophobicContact CB-CD2 4.14Å; W139-L142 HydrophobicContact CB-CG 3.58Å; W139-L142 HydrophobicContact CD2-CD1 4.41Å; W139-L142 HydrophobicContact CG-CD1 3.84Å; W139-L142 HydrophobicContact CG-CD2 3.98Å; W139-L142 HydrophobicContact CG-CG 3.91Å; L142-V176 HydrophobicContact CB-CB 4.34Å; L142-V176 PolarHBondContact N-O 2.83Å; L142-V176 PolarHBondContact O-N 2.82Å; L142-V176 VanDerWaalsContact O-N 3.13Å; L142-I178 HydrophobicContact CD1-CB 4.44Å; L142-I178 HydrophobicContact CD1-CD1 3.47Å; L142-I178 VanDerWaalsContact CD1-CD1 3.47Å; L142-I178 HydrophobicContact CD1-CG1 3.92Å
143N83.4Confident74.3Confident40 Ų4078.2 Ų78.221%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-76.8131.5168.2-66.6-30000109.4G119 E120 N124G119-N143 WeakPolarHBondContact CA-O 3.44Å; E120-N143 PolarHBondContact N-O 3.16Å; N124-N143 PolarHBondContact OD1-N 3.5Å; N124-N143 VanDerWaalsContact OD1-N 3.15Å
144T77.3Confident71.7Confident14 Ų1477 Ų779%0.08635%0.347CS..BIsolated β-bridgetrans-96.1133.9178.667.60000109.1F117 N146 V176 I199F117-T144 HydrophobicContact CE1-CG2 3.53Å; F117-T144 HydrophobicContact CZ-CG2 3.56Å; T144-N146 PolarHBondContact O-N 3.42Å; T144-V176 HydrophobicContact CG2-CG2 3.66Å; T144-I199 HydrophobicContact CG2-CD1 3.9Å; T144-I199 HydrophobicContact CG2-CG2 4.16Å; T144-I199 WeakPolarHBondContact OG1-CD1 3.36Å
145R71Confident68.8Low126 Ų12681.5 Ų81.548%0.47537%0.373SS..  trans-60.3113.6168.5-176.6178.5-85.6165.4-1.2107.3E120 S147E120-R145 HydrophobicContact CB-CB 4.45Å; R145-S147 PolarHBondContact O-N 3.01Å
146N61.9Low66Low53 Ų5387.6 Ų87.628%0.28340%0.404SS..  trans-58.5105177.5-90.5-31.8000108.3T144 K148 E149T144-N146 PolarHBondContact O-N 3.42Å; N146-K148 PolarHBondContact O-N 3.14Å; N146-E149 PolarHBondContact O-N 2.99Å
147S53.2Low63Low68 Ų6893.6 Ų93.648%0.47645%0.446SS..THydrogen-bonded Turntrans-57.2-16.3-175.262.60000113.4R145 E149 Y150R145-S147 PolarHBondContact O-N 3.01Å; S147-E149 PolarHBondContact O-N 3.38Å; S147-Y150 PolarHBondContact O-N 3.38Å
148K52.2Low60.3Low144 Ų14499.2 Ų99.263%0.62648%0.475SS*.Hα-helixtrans-61.8-22.8174.7-65.9-173.9-178.8173.10113.3N146 Y152N146-K148 PolarHBondContact O-N 3.14Å; K148-Y152 WeakPolarHBondContact O-CD2 3.44Å
149E50.7Low57.2Low131 Ų131106.6 Ų106.661%0.61250%0.503SS*.Hα-helixtrans-76.6-25.7178.1-154.7174175.300113.2N146 S147N146-E149 PolarHBondContact O-N 2.99Å; S147-E149 PolarHBondContact O-N 3.38Å
150Y46.4Very low54.4Low147 Ų147115.1 Ų115.158%0.57654%0.541SS*.Hα-helixtrans-84.8-25.2177.1-92.7-87.7000113.8S147 Y152 R153S147-Y150 PolarHBondContact O-N 3.38Å; Y150-Y152 PolarHBondContact O-N 3.35Å; Y150-R153 PolarHBondContact O-N 2.89Å
151Q43.4Very low51.9Low159 Ų159118.6 Ų118.674%0.74356%0.557SS**Hα-helixtrans-72.2-16.1-179.3-156.8172.37.800113.6
152Y44.8Very low49.5Very low196 Ų196119.2 Ų119.277%0.76957%0.568SS**THydrogen-bonded Turntrans-97.7-7.4178.1-80.3-82.1000114.9K148 Y150K148-Y152 WeakPolarHBondContact O-CD2 3.44Å; Y150-Y152 PolarHBondContact O-N 3.35Å
153R43.2Very low47.4Very low198 Ų198125 Ų12575%0.74760%0.598SS**SBendtrans-91.8-10.9-172.7-89.6-168.8179.6-156.83.8116.3Y150Y150-R153 PolarHBondContact O-N 2.89Å
154T40.7Very low45.4Very low111 Ų111128.9 Ų128.968%0.68162%0.619SS**SBendtrans-120.7-0.6-171.449.40000116.5
155N35.9Very low44.1Very low131 Ų131136.1 Ų136.170%0.70165%0.652SS**SBendtrans-151.4125.9166.7-79.6-54.7000108.5
156I38Very low43.3Very low128 Ų128137.7 Ų137.766%0.65667%0.669SS**  trans90.784.3161.1-58165.1000115.4I158I156-I158 HydrophobicContact CG2-CB 3.29Å; I156-I158 HydrophobicContact CG2-CD1 3.45Å; I156-I158 VanDerWaalsContact CG2-CD1 3.45Å; I156-I158 HydrophobicContact CG2-CG1 3.38Å; I156-I158 PolarHBondContact O-N 3.32Å
157S33.6Very low42.9Very low126 Ų126142.1 Ų142.188%0.88169%0.688SS**  trans-61.554.9143.8340000112.4
158I37.7Very low42.8Very low118 Ų118147.2 Ų147.261%0.60570%0.704SS**  trans-107.398.8163.1-67.5166.6000107.3I156 F160I156-I158 HydrophobicContact CG2-CB 3.29Å; I156-I158 HydrophobicContact CG2-CD1 3.45Å; I156-I158 VanDerWaalsContact CG2-CD1 3.45Å; I156-I158 HydrophobicContact CG2-CG1 3.38Å; I156-I158 PolarHBondContact O-N 3.32Å; I158-F160 PolarHBondContact O-N 3.24Å
159Y30.2Very low42.8Very low193 Ų193149.4 Ų149.476%0.75771%0.714SS**  trans11.485.8133.7-82.4-105.7000115L161Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 HydrophobicContact CD1-CB 4.13Å; Y159-L161 HydrophobicContact CD1-CD1 3.41Å; Y159-L161 VanDerWaalsContact CD1-CD1 3.41Å; Y159-L161 HydrophobicContact CD1-CG 4.3Å; Y159-L161 HydrophobicContact CE1-CD1 3.31Å
160F35.6Very low43Very low179 Ų179151 Ų15179%0.78572%0.721SS**  trans-9865.8142.2-101.1-90.8000108I158 L162I158-F160 PolarHBondContact O-N 3.24Å; F160-L162 HydrophobicContact CD1-CB 4.27Å; F160-L162 HydrophobicContact CD1-CD1 3.73Å; F160-L162 HydrophobicContact CD1-CG 4.5Å; F160-L162 HydrophobicContact CE1-CD1 3.56Å; F160-L162 PolarHBondContact O-N 3.24Å; F160-L162 VanDerWaalsContact O-N 3.09Å
161L37.2Very low43.6Very low113 Ų113150 Ų15059%0.59272%0.724SS**  trans-73.470.8151.5-104.8155.1000107.4Y159 I163Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 HydrophobicContact CD1-CB 4.13Å; Y159-L161 HydrophobicContact CD1-CD1 3.41Å; Y159-L161 VanDerWaalsContact CD1-CD1 3.41Å; Y159-L161 HydrophobicContact CD1-CG 4.3Å; Y159-L161 HydrophobicContact CE1-CD1 3.31Å; L161-I163 HydrophobicContact CD2-CD1 3.67Å; L161-I163 HydrophobicContact CD2-CG1 3.81Å
162L37.1Very low44.4Very low128 Ų128147.7 Ų147.767%0.6772%0.717SS**  trans-12474.1155.2-86.4156.3000102.9F160 N164F160-L162 HydrophobicContact CD1-CB 4.27Å; F160-L162 HydrophobicContact CD1-CD1 3.73Å; F160-L162 HydrophobicContact CD1-CG 4.5Å; F160-L162 HydrophobicContact CE1-CD1 3.56Å; F160-L162 PolarHBondContact O-N 3.24Å; F160-L162 VanDerWaalsContact O-N 3.09Å; L162-N164 PolarHBondContact O-N 2.84Å; L162-N164 VanDerWaalsContact O-N 3.11Å
163I41Very low45.4Very low123 Ų123144.1 Ų144.163%0.63171%0.711SS**  15.468.292-42.1-178000111.1L161 E165L161-I163 HydrophobicContact CD2-CD1 3.67Å; L161-I163 HydrophobicContact CD2-CG1 3.81Å; I163-E165 HydrophobicContact CG2-CG 4.34Å
164N41.9Very low46.6Very low121 Ų121137 Ų13765%0.64769%0.685SS**  trans-121.393.8146.1-140.711.4000105.8L162 N166L162-N164 PolarHBondContact O-N 2.84Å; L162-N164 VanDerWaalsContact O-N 3.11Å; N164-N166 PolarHBondContact O-N 2.89Å
165E50.8Low48.4Very low165 Ų165134.5 Ų134.577%0.77167%0.67SS**THydrogen-bonded Turntrans-55.1117.5173.1-62.5175.4162.500107.6I163I163-E165 HydrophobicContact CG2-CG 4.34Å
166N55Low50.9Low159 Ų159128.3 Ų128.385%0.8564%0.637SS**THydrogen-bonded Turntrans121.57.4170.8-59.1-32.5000118.6N164 H168N164-N166 PolarHBondContact O-N 2.89Å; N166-H168 PolarHBondContact O-N 3.04Å
167H51.8Low53.4Low147 Ų147122.8 Ų122.868%0.68161%0.608SS**  trans-86.994.4166.3-77.3-65.1000111.5F169H167-F169 PolarHBondContact O-N 3.44Å
168H52.7Low56.3Low174 Ų174116.8 Ų116.881%0.80657%0.567SS**  trans-56.2105.9160.1-101.8-80.8000108.4N166 H170N166-H168 PolarHBondContact O-N 3.04Å; H168-H170 PolarHBondContact O-N 3.2Å
169F52.2Low59Low191 Ų191111.1 Ų111.184%0.83854%0.538SS*.  trans-65.599.9166.1-87.2-92.3000107.7H167 I171H167-F169 PolarHBondContact O-N 3.44Å; F169-I171 PolarHBondContact O-N 2.85Å
170H54.6Low62.2Low163 Ų163102 Ų10276%0.75550%0.502SS*.  trans-66.3100.8163.9-81.7-83.2000107.3H168 L172H168-H170 PolarHBondContact O-N 3.2Å; H170-L172 VanDerWaalsContact C-N 3.32Å; H170-L172 PolarHBondContact O-N 3.02Å
171I58.2Low65.2Low126 Ų12693.4 Ų93.465%0.64646%0.464SS*.  trans-64.7100.3166.3-56.8174.5000105.4F169 N173F169-I171 PolarHBondContact O-N 2.85Å; I171-N173 WeakPolarHBondContact CG2-OD1 3.04Å; I171-N173 PolarHBondContact O-N 3.28Å
172L60.6Low68Low111 Ų11188 Ų8858%0.58144%0.436SS*.  trans-71.3100.6172.3-69.5172000106.8H170 F174H170-L172 VanDerWaalsContact C-N 3.32Å; H170-L172 PolarHBondContact O-N 3.02Å; L172-F174 HydrophobicContact CB-CD2 4.35Å; L172-F174 HydrophobicContact CB-CE2 3.81Å; L172-F174 HydrophobicContact CB-CZ 3.92Å; L172-F174 HydrophobicContact CD1-CZ 4.04Å; L172-F174 WeakPolarHBondContact O-CD2 3.32Å; L172-F174 PolarHBondContact O-N 2.94Å
173N64.8Low70.9Confident121 Ų12185.1 Ų85.165%0.64742%0.417SS*.  trans-76.799.7169.1-72.3-10.6000107.3I171I171-N173 WeakPolarHBondContact CG2-OD1 3.04Å; I171-N173 PolarHBondContact O-N 3.28Å
174F70Confident73.4Confident48 Ų4882 Ų8221%0.21141%0.406CS..  trans-77.3131.3171-62.7-79.6000109L172 S196 I199L172-F174 HydrophobicContact CB-CD2 4.35Å; L172-F174 HydrophobicContact CB-CE2 3.81Å; L172-F174 HydrophobicContact CB-CZ 3.92Å; L172-F174 HydrophobicContact CD1-CZ 4.04Å; L172-F174 WeakPolarHBondContact O-CD2 3.32Å; L172-F174 PolarHBondContact O-N 2.94Å; F174-S196 WeakPolarHBondContact CE1-OG 3.33Å; F174-I199 HydrophobicContact CB-CD1 3.2Å; F174-I199 HydrophobicContact CD1-CD1 4.29Å; F174-I199 HydrophobicContact CD2-CD1 3.56Å; F174-I199 HydrophobicContact CD2-CG1 4.45Å; F174-I199 HydrophobicContact CE2-CD1 4.46Å; F174-I199 HydrophobicContact CG-CD1 3.43Å; F174-I199 VanDerWaalsContact CG-CD1 3.43Å
175T78.4Confident75.8Confident60 Ų6080.9 Ų80.937%0.36840%0.4SS..EExtended strand (participates in β ladder)trans-108.7120.3177.6600000108.7R141R141-T175 HydrophobicContact CG-CG2 3.58Å
176V86.7Confident77.8Confident1 Ų173 Ų731%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-98.6138.3176.1176.20000109.4F117 L142 T144 I178 I195F117-V176 HydrophobicContact CD2-CG1 4.46Å; F117-V176 HydrophobicContact CE2-CG1 4.38Å; F117-V176 HydrophobicContact CE2-CG2 4.25Å; F117-V176 HydrophobicContact CZ-CG2 4.02Å; L142-V176 HydrophobicContact CB-CB 4.34Å; L142-V176 PolarHBondContact N-O 2.83Å; L142-V176 PolarHBondContact O-N 2.82Å; L142-V176 VanDerWaalsContact O-N 3.13Å; T144-V176 HydrophobicContact CG2-CG2 3.66Å; V176-I178 HydrophobicContact CG1-CD1 3.83Å; V176-I178 HydrophobicContact CG1-CG1 3.6Å; V176-I195 HydrophobicContact CG1-CD1 4.2Å; V176-I195 HydrophobicContact CG1-CG1 3.61Å; V176-I195 HydrophobicContact CG2-CG1 4.28Å
177Q92.1Very high79.8Confident11 Ų1167.3 Ų67.35%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-111.2124.4174.1-172.9-176.2-42.800109.3I56 K138 W139 E193I56-Q177 HydrophobicContact CD1-CG 4.4Å; K138-Q177 VanDerWaalsContact CE-NE2 3.29Å; W139-Q177 WeakPolarHBondContact O-CA 3.34Å; Q177-E193 HydrophobicContact CB-CB 4.37Å; Q177-E193 WeakPolarHBondContact CB-O 3.26Å; Q177-E193 VanDerWaalsContact CD-OE2 3.29Å; Q177-E193 PolarHBondContact N-O 3.34Å; Q177-E193 VanDerWaalsContact N-O 3.08Å; Q177-E193 PolarHBondContact NE2-OE2 3Å; Q177-E193 PolarHBondContact O-N 3.23Å; Q177-E193 PolarHBondContact OE1-OE2 2.59Å
178I93.5Very high81.9Confident0 Ų060.4 Ų60.40%030%0.301CS..EExtended strand (participates in β ladder)trans-131.7137.4-176-49.8-178.4000108.9V116 F117 K138 W139 L142 V176 I190 Y191 Y192V116-I178 HydrophobicContact CB-CG2 4.21Å; V116-I178 HydrophobicContact CG2-CD1 4.25Å; V116-I178 HydrophobicContact CG2-CG2 3.96Å; F117-I178 HydrophobicContact CB-CD1 3.36Å; F117-I178 HydrophobicContact CD2-CD1 3.93Å; F117-I178 HydrophobicContact CG-CD1 3.76Å; K138-I178 CarbonylContact C-O 3.59Å; K138-I178 WeakPolarHBondContact CA-O 3.43Å; W139-I178 HydrophobicContact CE3-CB 4.17Å; W139-I178 HydrophobicContact CE3-CG2 4.41Å; W139-I178 PolarHBondContact N-O 3.06Å; W139-I178 PolarHBondContact O-N 3.38Å; W139-I178 VanDerWaalsContact O-N 3.15Å; L142-I178 HydrophobicContact CD1-CB 4.44Å; L142-I178 HydrophobicContact CD1-CD1 3.47Å; L142-I178 VanDerWaalsContact CD1-CD1 3.47Å; L142-I178 HydrophobicContact CD1-CG1 3.92Å; V176-I178 HydrophobicContact CG1-CD1 3.83Å; V176-I178 HydrophobicContact CG1-CG1 3.6Å; I178-I190 HydrophobicContact CG2-CG2 3.87Å; I178-Y191 WeakPolarHBondContact CA-O 3.49Å; I178-Y192 HydrophobicContact CD1-CD1 4.08Å; I178-Y192 HydrophobicContact CD1-CE1 3.82Å; I178-Y192 HydrophobicContact CG1-CD1 3.98Å; I178-Y192 HydrophobicContact CG1-CE1 4.18Å; I178-Y192 HydrophobicContact CG2-CD1 4.2Å; I178-Y192 HydrophobicContact CG2-CE1 4.06Å
179V95.7Very high84Confident0 Ų052.1 Ų52.10%026%0.263CS..EExtended strand (participates in β ladder)trans-122.3119.5172.7175.10000109.1I56 F60 I137 K138 I181 I190 Y191I56-V179 HydrophobicContact CD1-CG2 3.78Å; I56-V179 HydrophobicContact CG1-CG2 4.4Å; I56-V179 HydrophobicContact CG2-CB 4.3Å; I56-V179 HydrophobicContact CG2-CG2 3.76Å; F60-V179 HydrophobicContact CE2-CG1 3.7Å; F60-V179 HydrophobicContact CE2-CG2 4.23Å; F60-V179 HydrophobicContact CZ-CG1 4.37Å; I137-V179 CarbonylContact O-C 3.54Å; I137-V179 WeakPolarHBondContact O-CA 3.38Å; K138-V179 HydrophobicContact CB-CG2 3.81Å; K138-V179 HydrophobicContact CD-CG2 3.94Å; K138-V179 HydrophobicContact CG-CG2 3.69Å; V179-I181 HydrophobicContact CG1-CD1 4.23Å; V179-I181 HydrophobicContact CG1-CG1 3.9Å; V179-I190 CarbonylContact O-C 3.42Å; V179-I190 WeakPolarHBondContact O-CA 3.49Å; V179-Y191 HydrophobicContact CG1-CD2 4.49Å; V179-Y191 PolarHBondContact N-O 3.44Å; V179-Y191 PolarHBondContact O-N 3.38Å
180C97.2Very high86.2Confident0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-107.8130.7172.6-174.50000109.1L99 V116 A136 I137 W139 F182 S189L99-C180 HydrophobicContact CD1-CB 4.12Å; V116-C180 HydrophobicContact CG1-CB 4.35Å; A136-C180 WeakPolarHBondContact CA-O 3.35Å; I137-C180 PolarHBondContact N-O 3.1Å; I137-C180 PolarHBondContact O-N 3.4Å; W139-C180 HydrophobicContact CH2-CB 4.37Å; W139-C180 HydrophobicContact CZ3-CB 3.86Å; C180-F182 WeakPolarHBondContact SG-CE2 3.48Å; C180-S189 CarbonylContact C-O 3.52Å; C180-S189 WeakPolarHBondContact CA-O 3.19Å
181I97.6Very high88.1Confident0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-124.7126.7-179.9-51.7175.9000108.6P57 I59 F134 I135 A136 V179 Y183 I188 S189 Y191P57-I181 HydrophobicContact CG-CD1 3.49Å; P57-I181 VanDerWaalsContact CG-CD1 3.49Å; I59-I181 HydrophobicContact CD1-CD1 3.4Å; I59-I181 HydrophobicContact CD1-CG1 4.38Å; F134-I181 HydrophobicContact CB-CG2 4.09Å; F134-I181 HydrophobicContact CD2-CG2 4.31Å; F134-I181 HydrophobicContact CG-CG2 4.45Å; I135-I181 CarbonylContact O-C 3.55Å; I135-I181 WeakPolarHBondContact O-CA 3.4Å; A136-I181 HydrophobicContact CB-CG1 4.15Å; V179-I181 HydrophobicContact CG1-CD1 4.23Å; V179-I181 HydrophobicContact CG1-CG1 3.9Å; I181-Y183 HydrophobicContact CB-CE2 4.12Å; I181-Y183 HydrophobicContact CG2-CD2 4.16Å; I181-Y183 HydrophobicContact CG2-CE1 4.1Å; I181-Y183 HydrophobicContact CG2-CE2 3.67Å; I181-I188 CarbonylContact O-C 3.56Å; I181-I188 WeakPolarHBondContact O-CA 3.18Å; I181-S189 PolarHBondContact N-O 3.14Å; I181-S189 PolarHBondContact O-N 2.71Å; I181-Y191 HydrophobicContact CD1-CD2 4.29Å; I181-Y191 HydrophobicContact CD1-CE2 3.77Å; I181-Y191 HydrophobicContact CG1-CE2 4.46Å
182F96.9Very high89.8Confident0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-106.4128.4170.2-62.9-89.5000109.4L81 L99 I101 I114 F134 I135 I137 C180 I188L81-F182 HydrophobicContact CD1-CB 3.57Å; L81-F182 HydrophobicContact CD1-CD1 3.7Å; L81-F182 HydrophobicContact CD1-CG 3.92Å; L81-F182 HydrophobicContact CD2-CD1 3.79Å; L81-F182 HydrophobicContact CD2-CE1 4.09Å; L81-F182 HydrophobicContact CD2-CG 4.27Å; L81-F182 HydrophobicContact CG-CD1 4.33Å; L99-F182 HydrophobicContact CD1-CE2 3.43Å; L99-F182 VanDerWaalsContact CD1-CE2 3.43Å; L99-F182 HydrophobicContact CD1-CZ 3.5Å; L99-F182 VanDerWaalsContact CD1-CZ 3.5Å; I101-F182 HydrophobicContact CD1-CE1 4.08Å; I101-F182 HydrophobicContact CD1-CZ 4.49Å; I114-F182 HydrophobicContact CD1-CE1 3.46Å; I114-F182 VanDerWaalsContact CD1-CE1 3.46Å; I114-F182 HydrophobicContact CD1-CZ 3.7Å; F134-F182 CarbonylContact C-O 3.56Å; F134-F182 WeakPolarHBondContact CA-O 3.49Å; F134-F182 VanDerWaalsContact CB-O 3.23Å; F134-F182 WeakPolarHBondContact CB-O 3.43Å; I135-F182 HydrophobicContact CB-CB 4.4Å; I135-F182 PolarHBondContact N-O 3.2Å; I135-F182 PolarHBondContact O-N 3.47Å; I137-F182 HydrophobicContact CD1-CE2 4.26Å; C180-F182 WeakPolarHBondContact SG-CE2 3.48Å; F182-I188 HydrophobicContact CD1-CD1 4.38Å; F182-I188 HydrophobicContact CD1-CG1 3.91Å; F182-I188 HydrophobicContact CD1-CG2 4.17Å; F182-I188 HydrophobicContact CE1-CD1 4.15Å; F182-I188 HydrophobicContact CE1-CG1 4.09Å; F182-I188 HydrophobicContact CE1-CG2 3.93Å; F182-I188 HydrophobicContact CZ-CG2 4.44Å
183Y96.8Very high91.2Very high66 Ų6628.4 Ų28.426%0.25915%0.148SC..EExtended strand (participates in β ladder)trans-99.5153.7175.9-63.4-89.3000110.4E133 F134 I181 N185 G186 N187E133-Y183 CarbonylContact O-C 3.54Å; E133-Y183 WeakPolarHBondContact O-CA 3.49Å; F134-Y183 HydrophobicContact CB-CD1 4.05Å; F134-Y183 HydrophobicContact CB-CE1 4.42Å; I181-Y183 HydrophobicContact CB-CE2 4.12Å; I181-Y183 HydrophobicContact CG2-CD2 4.16Å; I181-Y183 HydrophobicContact CG2-CE1 4.1Å; I181-Y183 HydrophobicContact CG2-CE2 3.67Å; Y183-N185 WeakPolarHBondContact CB-OD1 3.38Å; Y183-N185 PolarHBondContact O-N 2.91Å; Y183-G186 PolarHBondContact O-N 3.01Å; Y183-N187 HydrophobicContact CD2-CB 3.74Å; Y183-N187 WeakPolarHBondContact CD2-O 3.18Å; Y183-N187 HydrophobicContact CG-CB 4.25Å; Y183-N187 PolarHBondContact N-O 3.18Å
184S94.6Very high92.3Very high59 Ų5928.2 Ų28.241%0.41314%0.141SC..THydrogen-bonded Turntrans-63.3-21178.862.10000113.9F79 E133 G186F79-S184 VanDerWaalsContact CE2-CA 3.43Å; E133-S184 WeakPolarHBondContact O-CB 3.45Å; E133-S184 PolarHBondContact O-N 2.88Å; E133-S184 PolarHBondContact O-OG 3.11Å; S184-G186 VanDerWaalsContact C-N 3.25Å; S184-G186 PolarHBondContact O-N 2.95Å
185N92.2Very high92.9Very high97 Ų9726.3 Ų26.352%0.51913%0.133SC..THydrogen-bonded Turntrans-79.9-2.4171.869.9-8.2000113.6Y183 N187Y183-N185 WeakPolarHBondContact CB-OD1 3.38Å; Y183-N185 PolarHBondContact O-N 2.91Å; N185-N187 PolarHBondContact ND2-ND2 3.26Å; N185-N187 WeakPolarHBondContact OD1-CB 3.43Å; N185-N187 PolarHBondContact OD1-N 3.33Å
186G93.1Very high92.9Very high0 Ų025 Ų250%013%0.127CC..SBendtrans90.50-17900000115Y183 S184 P239Y183-G186 PolarHBondContact O-N 3.01Å; S184-G186 VanDerWaalsContact C-N 3.25Å; S184-G186 PolarHBondContact O-N 2.95Å; G186-P239 WeakPolarHBondContact O-CD 3.48Å; G186-P239 WeakPolarHBondContact O-CG 3.35Å
187N95.6Very high92.3Very high39 Ų3930.9 Ų30.921%0.20916%0.158CC..  trans-64.9143.4172.2-67.54.9000110.4Y183 N185 F237 P239Y183-N187 HydrophobicContact CD2-CB 3.74Å; Y183-N187 WeakPolarHBondContact CD2-O 3.18Å; Y183-N187 HydrophobicContact CG-CB 4.25Å; Y183-N187 PolarHBondContact N-O 3.18Å; N185-N187 PolarHBondContact ND2-ND2 3.26Å; N185-N187 WeakPolarHBondContact OD1-CB 3.43Å; N185-N187 PolarHBondContact OD1-N 3.33Å; N187-F237 CarbonylContact C-O 3.59Å; N187-F237 WeakPolarHBondContact CA-O 3.27Å; N187-P239 VanDerWaalsContact OD1-CD 3.22Å; N187-P239 WeakPolarHBondContact OD1-CD 3.49Å
188I97.1Very high91.3Very high1 Ų136.3 Ų36.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-126.8117.4177.7-49.2171.3000107.7Y46 Y83 I114 I181 F182 I190 L207 E236 F237Y46-I188 HydrophobicContact CE1-CD1 3.91Å; Y46-I188 HydrophobicContact CE1-CG1 4.47Å; Y83-I188 HydrophobicContact CD2-CD1 4.13Å; Y83-I188 HydrophobicContact CE2-CD1 4.22Å; I114-I188 HydrophobicContact CD1-CD1 3.78Å; I114-I188 HydrophobicContact CD1-CG2 4.29Å; I181-I188 CarbonylContact O-C 3.56Å; I181-I188 WeakPolarHBondContact O-CA 3.18Å; F182-I188 HydrophobicContact CD1-CD1 4.38Å; F182-I188 HydrophobicContact CD1-CG1 3.91Å; F182-I188 HydrophobicContact CD1-CG2 4.17Å; F182-I188 HydrophobicContact CE1-CD1 4.15Å; F182-I188 HydrophobicContact CE1-CG1 4.09Å; F182-I188 HydrophobicContact CE1-CG2 3.93Å; F182-I188 HydrophobicContact CZ-CG2 4.44Å; I188-I190 HydrophobicContact CG2-CG1 4.44Å; I188-L207 HydrophobicContact CD1-CD2 4.1Å; I188-E236 CarbonylContact O-C 3.5Å; I188-E236 VanDerWaalsContact O-CA 3.29Å; I188-E236 WeakPolarHBondContact O-CA 2.98Å; I188-F237 HydrophobicContact CB-CB 4.2Å; I188-F237 HydrophobicContact CB-CD2 4.44Å; I188-F237 PolarHBondContact N-O 3.46Å; I188-F237 PolarHBondContact O-N 3.04Å
189S97.1Very high90.3Very high1 Ų137.6 Ų37.61%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-117.8127.3179.2-59.10000110.3C180 I181 V235 E236C180-S189 CarbonylContact C-O 3.52Å; C180-S189 WeakPolarHBondContact CA-O 3.19Å; I181-S189 PolarHBondContact N-O 3.14Å; I181-S189 PolarHBondContact O-N 2.71Å; S189-V235 CarbonylContact C-O 3.55Å; S189-V235 WeakPolarHBondContact CA-O 3.03Å; S189-E236 PolarHBondContact OG-OE1 2.75Å; S189-E236 VanDerWaalsContact OG-OE1 3.06Å
190I96.9Very high88.8Confident0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-120.2119.3-178.2-53.9164.7000109I114 V116 I178 V179 I188 Y192 I205 L234 V235 F237I114-I190 HydrophobicContact CG2-CD1 4.48Å; V116-I190 HydrophobicContact CB-CG2 4.25Å; V116-I190 HydrophobicContact CG1-CD1 3.81Å; V116-I190 HydrophobicContact CG1-CG1 4.19Å; V116-I190 HydrophobicContact CG1-CG2 4.19Å; I178-I190 HydrophobicContact CG2-CG2 3.87Å; V179-I190 CarbonylContact O-C 3.42Å; V179-I190 WeakPolarHBondContact O-CA 3.49Å; I188-I190 HydrophobicContact CG2-CG1 4.44Å; I190-Y192 HydrophobicContact CB-CE2 4.26Å; I190-Y192 HydrophobicContact CG2-CD2 4.28Å; I190-Y192 HydrophobicContact CG2-CE1 4.31Å; I190-Y192 HydrophobicContact CG2-CE2 3.52Å; I190-I205 HydrophobicContact CD1-CD1 4.07Å; I190-I205 HydrophobicContact CD1-CG2 3.54Å; I190-L234 WeakPolarHBondContact O-CA 3.21Å; I190-V235 PolarHBondContact N-O 3.01Å; I190-V235 PolarHBondContact O-N 3.06Å; I190-F237 HydrophobicContact CD1-CE2 4.06Å
191Y95.9Very high87.3Confident23 Ų2347.3 Ų47.39%0.0923%0.228CC..EExtended strand (participates in β ladder)trans-108.3134.4179.5-60.2-102.7000110.1P57 I178 V179 I181 L234P57-Y191 HydrophobicContact CG-CD2 4.39Å; P57-Y191 HydrophobicContact CG-CE1 4.4Å; P57-Y191 HydrophobicContact CG-CE2 3.95Å; I178-Y191 WeakPolarHBondContact CA-O 3.49Å; V179-Y191 HydrophobicContact CG1-CD2 4.49Å; V179-Y191 PolarHBondContact N-O 3.44Å; V179-Y191 PolarHBondContact O-N 3.38Å; I181-Y191 HydrophobicContact CD1-CD2 4.29Å; I181-Y191 HydrophobicContact CD1-CE2 3.77Å; I181-Y191 HydrophobicContact CG1-CE2 4.46Å; Y191-L234 HydrophobicContact CD1-CB 4.36Å; Y191-L234 HydrophobicContact CD1-CD1 3.81Å; Y191-L234 HydrophobicContact CD1-CG 4.48Å; Y191-L234 HydrophobicContact CD2-CD1 3.91Å; Y191-L234 HydrophobicContact CE1-CB 4.4Å; Y191-L234 HydrophobicContact CE1-CD1 3.55Å; Y191-L234 HydrophobicContact CE1-CD2 3.86Å; Y191-L234 HydrophobicContact CE1-CG 4.13Å; Y191-L234 HydrophobicContact CE2-CD1 3.63Å; Y191-L234 HydrophobicContact CG-CD1 3.98Å; Y191-L234 VanDerWaalsContact CZ-CD1 3.44Å
192Y93.1Very high86Confident3 Ų353.5 Ų53.51%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-113.3126.8178.5-66.5-80.6000111V116 I178 I190 I195 I205 T229 E230 G232 L233V116-Y192 WeakPolarHBondContact O-CE1 3.46Å; V116-Y192 PolarHBondContact O-OH 2.62Å; I178-Y192 HydrophobicContact CD1-CD1 4.08Å; I178-Y192 HydrophobicContact CD1-CE1 3.82Å; I178-Y192 HydrophobicContact CG1-CD1 3.98Å; I178-Y192 HydrophobicContact CG1-CE1 4.18Å; I178-Y192 HydrophobicContact CG2-CD1 4.2Å; I178-Y192 HydrophobicContact CG2-CE1 4.06Å; I190-Y192 HydrophobicContact CB-CE2 4.26Å; I190-Y192 HydrophobicContact CG2-CD2 4.28Å; I190-Y192 HydrophobicContact CG2-CE1 4.31Å; I190-Y192 HydrophobicContact CG2-CE2 3.52Å; Y192-I195 HydrophobicContact CD1-CD1 3.5Å; Y192-I195 VanDerWaalsContact CD1-CD1 3.5Å; Y192-I195 HydrophobicContact CE1-CD1 4.38Å; Y192-I195 HydrophobicContact CG-CD1 3.86Å; Y192-I205 HydrophobicContact CE2-CD1 3.61Å; Y192-I205 HydrophobicContact CE2-CG1 4.32Å; Y192-I205 WeakPolarHBondContact OH-CD1 3.1Å; Y192-I205 WeakPolarHBondContact OH-CG1 3.39Å; Y192-T229 HydrophobicContact CD1-CG2 4.45Å; Y192-T229 HydrophobicContact CE1-CG2 3.84Å; Y192-T229 HydrophobicContact CE2-CG2 4.16Å; Y192-E230 WeakPolarHBondContact CB-O 3.35Å; Y192-G232 PolarHBondContact O-N 3.39Å; Y192-L233 HydrophobicContact CD2-CB 4.08Å; Y192-L233 HydrophobicContact CD2-CD2 4.1Å; Y192-L233 HydrophobicContact CD2-CG 4.33Å; Y192-L233 HydrophobicContact CE2-CD2 4.4Å; Y192-L233 PolarHBondContact N-O 3.29Å
193E90.5Very high84.9Confident66 Ų6654.2 Ų54.231%0.30827%0.266SS..EExtended strand (participates in β ladder)trans-134.3146176.9-157.6-159.9164.400109.9I56 Q177 I195I56-E193 HydrophobicContact CD1-CB 3.65Å; I56-E193 HydrophobicContact CD1-CG 4.28Å; I56-E193 WeakPolarHBondContact CD1-OE2 3.41Å; I56-E193 HydrophobicContact CG1-CB 4.13Å; Q177-E193 HydrophobicContact CB-CB 4.37Å; Q177-E193 WeakPolarHBondContact CB-O 3.26Å; Q177-E193 VanDerWaalsContact CD-OE2 3.29Å; Q177-E193 PolarHBondContact N-O 3.34Å; Q177-E193 VanDerWaalsContact N-O 3.08Å; Q177-E193 PolarHBondContact NE2-OE2 3Å; Q177-E193 PolarHBondContact O-N 3.23Å; Q177-E193 PolarHBondContact OE1-OE2 2.59Å; E193-I195 PolarHBondContact O-N 3.18Å
194K86.6Confident84.3Confident117 Ų11753.3 Ų53.351%0.50927%0.269SS..SBendtrans61.428.8176.1-54.4172.8-175156.50113.9S231K194-S231 PolarHBondContact N-OG 3.49Å
195I83Confident84Confident8 Ų850.5 Ų50.54%0.04125%0.25CC..  trans-75.4125.7168.7-63.2-177.7000109.5V176 Y192 E193V176-I195 HydrophobicContact CG1-CD1 4.2Å; V176-I195 HydrophobicContact CG1-CG1 3.61Å; V176-I195 HydrophobicContact CG2-CG1 4.28Å; Y192-I195 HydrophobicContact CD1-CD1 3.5Å; Y192-I195 VanDerWaalsContact CD1-CD1 3.5Å; Y192-I195 HydrophobicContact CE1-CD1 4.38Å; Y192-I195 HydrophobicContact CG-CD1 3.86Å; E193-I195 PolarHBondContact O-N 3.18Å
196S78.3Confident83.9Confident33 Ų3347.8 Ų47.823%0.23123%0.233CC..  trans-68.4134.4166.7176.60000110.4F174 E198 I199 G200F174-S196 WeakPolarHBondContact CE1-OG 3.33Å; S196-E198 PolarHBondContact O-N 3.19Å; S196-I199 PolarHBondContact O-N 3.19Å; S196-G200 PolarHBondContact O-N 3Å
197N74.4Confident83.8Confident125 Ų12547.8 Ų47.867%0.66823%0.233SC*.THydrogen-bonded Turntrans-52.8-25.1179.7-66.3-5000113.8
198E72.2Confident83.6Confident125 Ų12545.9 Ų45.958%0.58422%0.223SC*.THydrogen-bonded Turntrans-71.9-36.2178.8-63.5-171.7177.100113S196S196-E198 PolarHBondContact O-N 3.19Å
199I70.8Confident83.1Confident27 Ų2746.3 Ų46.314%0.13823%0.225CC..THydrogen-bonded Turntrans-85.1-40.1-174.7-69.4167000110.4F117 T144 F174 S196 R201 N202F117-I199 HydrophobicContact CE2-CG2 4.05Å; F117-I199 HydrophobicContact CZ-CG2 3.62Å; T144-I199 HydrophobicContact CG2-CD1 3.9Å; T144-I199 HydrophobicContact CG2-CG2 4.16Å; T144-I199 WeakPolarHBondContact OG1-CD1 3.36Å; F174-I199 HydrophobicContact CB-CD1 3.2Å; F174-I199 HydrophobicContact CD1-CD1 4.29Å; F174-I199 HydrophobicContact CD2-CD1 3.56Å; F174-I199 HydrophobicContact CD2-CG1 4.45Å; F174-I199 HydrophobicContact CE2-CD1 4.46Å; F174-I199 HydrophobicContact CG-CD1 3.43Å; F174-I199 VanDerWaalsContact CG-CD1 3.43Å; S196-I199 PolarHBondContact O-N 3.19Å; I199-R201 PolarHBondContact O-N 3.2Å; I199-N202 PolarHBondContact O-N 3.04Å; I199-N202 VanDerWaalsContact O-N 3.16Å
200G64.3Low82.6Confident4 Ų447.9 Ų47.94%0.04123%0.232CC..THydrogen-bonded Turntrans-57.6-23-17100000116S196 N202 P228 T229S196-G200 PolarHBondContact O-N 3Å; G200-N202 VanDerWaalsContact C-N 3.31Å; G200-N202 PolarHBondContact O-N 3.42Å; G200-P228 CarbonylContact O-C 3.46Å; G200-T229 CarbonylContact C-O 3.43Å; G200-T229 WeakPolarHBondContact CA-O 3.38Å; G200-T229 PolarHBondContact O-N 3.36Å; G200-T229 PolarHBondContact O-OG1 2.85Å
201R66.2Low81.7Confident200 Ų20049.8 Ų49.876%0.75525%0.245SC*.THydrogen-bonded Turntrans-73.8-19.5-177.4-67.1-175.7179.2-177.8-0.8114.3I199I199-R201 PolarHBondContact O-N 3.2Å
202N71Confident80.4Confident129 Ų12952 Ų5269%0.6926%0.263SS*.THydrogen-bonded Turntrans-110.3-11.7-173.3-67.4-6.8000113.5I199 G200I199-N202 PolarHBondContact O-N 3.04Å; I199-N202 VanDerWaalsContact O-N 3.16Å; G200-N202 VanDerWaalsContact C-N 3.31Å; G200-N202 PolarHBondContact O-N 3.42Å
203S73.2Confident79.1Confident15 Ų1555.4 Ų55.411%0.10528%0.281CS..  trans-90.9130.9174.933.40000110.5F117 T229F117-S203 WeakPolarHBondContact CE2-OG 3.26Å; S203-T229 WeakPolarHBondContact O-CG2 3.48Å; S203-T229 PolarHBondContact OG-OG1 2.9Å
204S83.6Confident77.6Confident47 Ų4761.8 Ų61.833%0.32931%0.311SS..  trans-121.6146.1173.353.90000109.2L224 S225S204-L224 WeakPolarHBondContact OG-CD1 3.05Å; S204-S225 WeakPolarHBondContact CB-O 3.45Å
205I88.1Confident76.6Confident0 Ų063.2 Ų63.20%032%0.324CS..  trans-76.5132.8172.8-41.4-168.5000108.5I190 Y192 L207 L224 S225 T229 V235 F237I190-I205 HydrophobicContact CD1-CD1 4.07Å; I190-I205 HydrophobicContact CD1-CG2 3.54Å; Y192-I205 HydrophobicContact CE2-CD1 3.61Å; Y192-I205 HydrophobicContact CE2-CG1 4.32Å; Y192-I205 WeakPolarHBondContact OH-CD1 3.1Å; Y192-I205 WeakPolarHBondContact OH-CG1 3.39Å; I205-L207 HydrophobicContact CG2-CD1 3.92Å; I205-L224 WeakPolarHBondContact O-CA 3.46Å; I205-S225 PolarHBondContact O-N 2.78Å; I205-T229 HydrophobicContact CG1-CG2 4.41Å; I205-V235 HydrophobicContact CD1-CB 3.52Å; I205-V235 HydrophobicContact CD1-CG1 3.87Å; I205-V235 HydrophobicContact CD1-CG2 3.43Å; I205-V235 VanDerWaalsContact CD1-CG2 3.43Å; I205-F237 HydrophobicContact CG2-CE2 4.11Å; I205-F237 HydrophobicContact CG2-CZ 4.25Å
206K91.5Very high75.4Confident40 Ų4069.4 Ų69.417%0.17436%0.357CS..EExtended strand (participates in β ladder)trans-129.5118.7180169.8174.2176.4144.80110.6I114 Q115 V208 E222 I223 L224I114-K206 CarbonylContact C-O 3.54Å; I114-K206 WeakPolarHBondContact CA-O 3.29Å; Q115-K206 HydrophobicContact CB-CB 4.16Å; Q115-K206 PolarHBondContact N-O 2.8Å; Q115-K206 PolarHBondContact O-N 3Å; K206-V208 HydrophobicContact CD-CG2 4.03Å; K206-V208 HydrophobicContact CG-CG2 3.66Å; K206-E222 HydrophobicContact CD-CG 4.43Å; K206-E222 WeakPolarHBondContact CD-OE1 3.47Å; K206-E222 WeakPolarHBondContact CE-OE1 3.45Å; K206-E222 VanDerWaalsContact CE-OE2 3.32Å; K206-E222 WeakPolarHBondContact CE-OE2 3.42Å; K206-E222 HydrophobicContact CG-CG 4.12Å; K206-E222 IonicContact NZ-OE1 2.96Å; K206-E222 PolarHBondContact NZ-OE1 3.11Å; K206-E222 IonicContact NZ-OE2 3.77Å; K206-E222 PolarHBondContact NZ-OE2 2.82Å; K206-I223 WeakPolarHBondContact CA-O 3.14Å; K206-L224 HydrophobicContact CB-CD1 4.08Å
207L90.6Very high74.4Confident0 Ų073.6 Ų73.60%038%0.377CS..EExtended strand (participates in β ladder)trans-104.3124.7168.9-77.664.3000107.8Y46 Y83 F84 I114 I188 I205 E222 I223 F237Y46-L207 HydrophobicContact CD2-CD2 4.39Å; Y46-L207 HydrophobicContact CE2-CD2 4.3Å; Y83-L207 HydrophobicContact CE2-CD2 4.34Å; F84-L207 HydrophobicContact CE2-CB 4.2Å; F84-L207 HydrophobicContact CZ-CB 4.39Å; I114-L207 HydrophobicContact CD1-CG 4.24Å; I114-L207 HydrophobicContact CG1-CG 4.16Å; I114-L207 HydrophobicContact CG2-CD1 3.99Å; I114-L207 HydrophobicContact CG2-CG 4.19Å; I188-L207 HydrophobicContact CD1-CD2 4.1Å; I205-L207 HydrophobicContact CG2-CD1 3.92Å; L207-E222 CarbonylContact O-C 3.56Å; L207-E222 WeakPolarHBondContact O-CA 3.47Å; L207-I223 HydrophobicContact CB-CB 4.18Å; L207-I223 PolarHBondContact N-O 2.95Å; L207-I223 PolarHBondContact O-N 2.53Å; L207-F237 HydrophobicContact CD1-CD2 4.07Å; L207-F237 HydrophobicContact CD1-CE1 4.17Å; L207-F237 HydrophobicContact CD1-CE2 3.59Å; L207-F237 HydrophobicContact CD1-CZ 3.64Å; L207-F237 HydrophobicContact CD2-CB 4.42Å; L207-F237 HydrophobicContact CD2-CD1 4.08Å; L207-F237 HydrophobicContact CD2-CD2 4.11Å; L207-F237 HydrophobicContact CD2-CE1 4.39Å; L207-F237 HydrophobicContact CD2-CE2 4.41Å; L207-F237 HydrophobicContact CD2-CG 3.93Å
208V90.6Very high73.8Confident0 Ų074.1 Ų74.10%037%0.371CS..EExtended strand (participates in β ladder)trans-120.8135.8179.4-176.10000109.2Y83 N112 I113 K206 E210 K220 K221 E222Y83-V208 WeakPolarHBondContact CE1-O 3.22Å; Y83-V208 PolarHBondContact OH-N 2.94Å; Y83-V208 PolarHBondContact OH-O 3.45Å; N112-V208 CarbonylContact C-O 3.54Å; N112-V208 WeakPolarHBondContact CA-O 3.35Å; I113-V208 HydrophobicContact CD1-CB 4.43Å; I113-V208 HydrophobicContact CD1-CG2 4.11Å; I113-V208 HydrophobicContact CG1-CB 3.61Å; I113-V208 HydrophobicContact CG1-CG1 4.43Å; I113-V208 HydrophobicContact CG1-CG2 3.74Å; I113-V208 PolarHBondContact N-O 3.41Å; I113-V208 PolarHBondContact O-N 3.39Å; K206-V208 HydrophobicContact CD-CG2 4.03Å; K206-V208 HydrophobicContact CG-CG2 3.66Å; V208-E210 HydrophobicContact CG1-CG 4Å; V208-K220 HydrophobicContact CG1-CD 4.38Å; V208-K220 HydrophobicContact CG1-CG 3.98Å; V208-K221 WeakPolarHBondContact CA-O 3.41Å; V208-E222 HydrophobicContact CG2-CG 4.32Å
209H87.9Confident73.8Confident10 Ų1069.3 Ų69.35%0.04636%0.355CS..EExtended strand (participates in β ladder)trans-121.9121.2165.3176.156.3000108.4Y83 F84 N112 K221Y83-H209 HydrophobicContact CE1-CB 4.38Å; F84-H209 HydrophobicContact CB-CB 3.91Å; F84-H209 HydrophobicContact CD1-CB 3.52Å; F84-H209 AromaticContact CD1-CG 3.98Å; F84-H209 HydrophobicContact CD2-CB 3.6Å; F84-H209 HydrophobicContact CE1-CB 3.86Å; F84-H209 HydrophobicContact CE2-CB 3.91Å; F84-H209 HydrophobicContact CG-CB 3.4Å; F84-H209 AromaticContact CG-CG 3.71Å; F84-H209 HydrophobicContact CZ-CB 4.03Å; N112-H209 WeakPolarHBondContact OD1-CA 3.42Å; N112-H209 PolarHBondContact OD1-ND1 3.4Å; H209-K221 HydrophobicContact CB-CB 4.41Å; H209-K221 PolarHBondContact N-O 3.48Å; H209-K221 PolarHBondContact O-N 2.93Å
210E86.2Confident74.4Confident34 Ų3472.8 Ų72.816%0.15937%0.369CS..EExtended strand (participates in β ladder)trans-107.6113.8171.4-71.7176.5-178.300105.9G111 N112 V208 K220G111-E210 PolarHBondContact N-OE2 3.49Å; N112-E210 PolarHBondContact OD1-N 3.21Å; N112-E210 VanDerWaalsContact OD1-N 3.12Å; N112-E210 PolarHBondContact OD1-O 2.82Å; V208-E210 HydrophobicContact CG1-CG 4Å; E210-K220 HydrophobicContact CG-CB 4.44Å; E210-K220 HydrophobicContact CG-CG 4.12Å; E210-K220 IonicContact OE1-NZ 3.89Å; E210-K220 PolarHBondContact OE1-NZ 2.94Å
211S77.4Confident75.3Confident39 Ų3975.4 Ų75.427%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-105.4135170.2-172.60000108.3N213 G219S211-N213 PolarHBondContact O-N 3.5Å; S211-N213 VanDerWaalsContact O-N 3.13Å; S211-G219 PolarHBondContact N-O 2.83Å; S211-G219 PolarHBondContact O-N 2.83Å
212P69.5Low76.3Confident70 Ų7069.5 Ų69.546%0.45536%0.36SS..EExtended strand (participates in β ladder)trans-61.7116.1161.925.9-29.7000107.2Y218P212-Y218 HydrophobicContact CB-CE1 4.08Å
213N64.8Low77.1Confident74 Ų7463.4 Ų63.440%0.39633%0.327SS..  trans-78.3155.5163.9-63.9-31.4000108.5S211 D215 N216 D217 G219S211-N213 PolarHBondContact O-N 3.5Å; S211-N213 VanDerWaalsContact O-N 3.13Å; N213-D215 PolarHBondContact O-N 2.77Å; N213-N216 PolarHBondContact O-N 3.31Å; N213-D217 WeakPolarHBondContact CB-O 3.35Å; N213-D217 PolarHBondContact ND2-O 3.2Å; N213-G219 WeakPolarHBondContact ND2-CA 3.34Å; N213-G219 PolarHBondContact ND2-N 3.05Å
214E60.5Low77.8Confident200 Ų20067 Ų6794%0.93535%0.345SS*.THydrogen-bonded Turntrans-55-25177-67.3-17816700112.8N216E214-N216 PolarHBondContact O-N 3.39Å
215D65.7Low77.9Confident147 Ų14764.8 Ų64.879%0.78633%0.329SS*.THydrogen-bonded Turntrans-88.711.6-180-66.6-35.7000114.6N213 D217N213-D215 PolarHBondContact O-N 2.77Å; D215-D217 PolarHBondContact O-N 3.46Å
216N56.7Low77.5Confident139 Ų13969 Ų6974%0.74336%0.359SS*.SBendtrans59.54.4-170.9-67.5-44000115.4N213 E214 Y218N213-N216 PolarHBondContact O-N 3.31Å; E214-N216 PolarHBondContact O-N 3.39Å; N216-Y218 PolarHBondContact O-N 2.91Å
217D58.3Low77.1Confident120 Ų12068.4 Ų68.464%0.64236%0.356SS*.  trans-83.3109.3169.7-164.711.1000108.3N213 D215 G219N213-D217 WeakPolarHBondContact CB-O 3.35Å; N213-D217 PolarHBondContact ND2-O 3.2Å; D215-D217 PolarHBondContact O-N 3.46Å; D217-G219 PolarHBondContact O-N 2.83Å
218Y60.3Low76.8Confident137 Ų13770.8 Ų70.854%0.53737%0.372SS..EExtended strand (participates in β ladder)trans-68.3106.3-178.3-76.4-93.1000109.2P212 N216 K220P212-Y218 HydrophobicContact CB-CE1 4.08Å; N216-Y218 PolarHBondContact O-N 2.91Å; Y218-K220 VanDerWaalsContact C-N 3.33Å; Y218-K220 PolarHBondContact O-N 2.77Å
219G72.5Confident76.6Confident24 Ų2470.8 Ų70.825%0.24737%0.372CS..EExtended strand (participates in β ladder)trans-65.893.2172.900000109.3S211 N213 D217 K221S211-G219 PolarHBondContact N-O 2.83Å; S211-G219 PolarHBondContact O-N 2.83Å; N213-G219 WeakPolarHBondContact ND2-CA 3.34Å; N213-G219 PolarHBondContact ND2-N 3.05Å; D217-G219 PolarHBondContact O-N 2.83Å; G219-K221 PolarHBondContact O-N 3.08Å
220K83.2Confident76.6Confident99 Ų9974.1 Ų74.143%0.4339%0.387SS..EExtended strand (participates in β ladder)trans-84.1109.8177.7-173.4173.3-174.3127.70109.6V208 E210 Y218V208-K220 HydrophobicContact CG1-CD 4.38Å; V208-K220 HydrophobicContact CG1-CG 3.98Å; E210-K220 HydrophobicContact CG-CB 4.44Å; E210-K220 HydrophobicContact CG-CG 4.12Å; E210-K220 IonicContact OE1-NZ 3.89Å; E210-K220 PolarHBondContact OE1-NZ 2.94Å; Y218-K220 VanDerWaalsContact C-N 3.33Å; Y218-K220 PolarHBondContact O-N 2.77Å
221K83.8Confident76.9Confident59 Ų5975.3 Ų75.326%0.25740%0.399SS..EExtended strand (participates in β ladder)trans-96.3126170.1-62.9-173179.3-171.60108.6Y45 F84 V208 H209 G219 D276Y45-K221 HydrophobicContact CD2-CD 4.39Å; Y45-K221 HydrophobicContact CE2-CD 3.66Å; Y45-K221 VanDerWaalsContact CE2-NZ 3.26Å; Y45-K221 PolarHBondContact OH-NZ 3.34Å; F84-K221 HydrophobicContact CD1-CB 4.34Å; F84-K221 HydrophobicContact CE1-CB 3.92Å; V208-K221 WeakPolarHBondContact CA-O 3.41Å; H209-K221 HydrophobicContact CB-CB 4.41Å; H209-K221 PolarHBondContact N-O 3.48Å; H209-K221 PolarHBondContact O-N 2.93Å; G219-K221 PolarHBondContact O-N 3.08Å; K221-D276 IonicContact NZ-OD1 3.26Å; K221-D276 PolarHBondContact NZ-OD1 2.89Å
222E87.2Confident77.6Confident76 Ų7674.1 Ų74.136%0.35539%0.393SS..EExtended strand (participates in β ladder)trans-128132.3-178-175.9171.2161.300110.8K206 L207 V208K206-E222 HydrophobicContact CD-CG 4.43Å; K206-E222 WeakPolarHBondContact CD-OE1 3.47Å; K206-E222 WeakPolarHBondContact CE-OE1 3.45Å; K206-E222 VanDerWaalsContact CE-OE2 3.32Å; K206-E222 WeakPolarHBondContact CE-OE2 3.42Å; K206-E222 HydrophobicContact CG-CG 4.12Å; K206-E222 IonicContact NZ-OE1 2.96Å; K206-E222 PolarHBondContact NZ-OE1 3.11Å; K206-E222 IonicContact NZ-OE2 3.77Å; K206-E222 PolarHBondContact NZ-OE2 2.82Å; L207-E222 CarbonylContact O-C 3.56Å; L207-E222 WeakPolarHBondContact O-CA 3.47Å; V208-E222 HydrophobicContact CG2-CG 4.32Å
223I86.7Confident78.7Confident1 Ų170.8 Ų70.81%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-112.1117169.4-63.5172000107H43 Y46 F84 K206 L207 F237H43-I223 HydrophobicContact CB-CD1 3.6Å; H43-I223 HydrophobicContact CB-CG1 3.8Å; H43-I223 HydrophobicContact CB-CG2 4.38Å; Y46-I223 HydrophobicContact CD2-CD1 3.68Å; Y46-I223 HydrophobicContact CG-CD1 4.36Å; F84-I223 HydrophobicContact CE1-CD1 4.35Å; F84-I223 HydrophobicContact CZ-CD1 3.9Å; F84-I223 HydrophobicContact CZ-CG1 4.26Å; K206-I223 WeakPolarHBondContact CA-O 3.14Å; L207-I223 HydrophobicContact CB-CB 4.18Å; L207-I223 PolarHBondContact N-O 2.95Å; L207-I223 PolarHBondContact O-N 2.53Å; I223-F237 HydrophobicContact CG2-CE1 3.79Å
224L88.6Confident80.1Confident90 Ų9067.4 Ų67.447%0.47135%0.353SS..EExtended strand (participates in β ladder)trans-108.7113.9175.8-166.873.6000108.9S204 I205 K206 S226S204-L224 WeakPolarHBondContact OG-CD1 3.05Å; I205-L224 WeakPolarHBondContact O-CA 3.46Å; K206-L224 HydrophobicContact CB-CD1 4.08Å; L224-S226 PolarHBondContact O-N 2.99Å
225S86.3Confident81.8Confident1 Ų157.9 Ų57.91%0.00731%0.309CS..  trans-68.8124.2171.9-179.20000109E48 S204 I205 Y227E48-S225 WeakPolarHBondContact OE1-CB 3.45Å; E48-S225 PolarHBondContact OE1-OG 3.35Å; S204-S225 WeakPolarHBondContact CB-O 3.45Å; I205-S225 PolarHBondContact O-N 2.78Å; S225-Y227 PolarHBondContact O-N 3.13Å
226S79.2Confident83.2Confident90 Ų9052.3 Ų52.363%0.62928%0.278SS*.  trans-81.3-2.3-178.858.80000114.1L224L224-S226 PolarHBondContact O-N 2.99Å
227Y84.3Confident85Confident26 Ų2645.8 Ų45.810%0.10224%0.243CC..SBendtrans-85.2134.4-175.3-69-86.2000111.2S39 I41 V50 F52 S225 T229S39-Y227 WeakPolarHBondContact CB-OH 3.48Å; S39-Y227 PolarHBondContact OG-OH 2.72Å; I41-Y227 HydrophobicContact CD1-CE2 3.75Å; V50-Y227 HydrophobicContact CB-CD2 4.11Å; V50-Y227 HydrophobicContact CB-CE2 4.15Å; V50-Y227 HydrophobicContact CB-CG 4.33Å; V50-Y227 HydrophobicContact CG1-CD1 4.06Å; V50-Y227 HydrophobicContact CG1-CD2 4.18Å; V50-Y227 HydrophobicContact CG1-CE1 4.49Å; V50-Y227 HydrophobicContact CG1-CG 3.9Å; V50-Y227 HydrophobicContact CG2-CD2 3.4Å; V50-Y227 VanDerWaalsContact CG2-CD2 3.4Å; V50-Y227 HydrophobicContact CG2-CE2 3.61Å; V50-Y227 HydrophobicContact CG2-CG 4Å; F52-Y227 HydrophobicContact CZ-CD1 4.16Å; S225-Y227 PolarHBondContact O-N 3.13Å; Y227-T229 PolarHBondContact O-N 2.85Å
228P83.1Confident86.7Confident51 Ų5142.3 Ų42.333%0.33123%0.226SC..  trans-63.8129.3172.528.2-32.7000108.7G200 E230G200-P228 CarbonylContact O-C 3.46Å; P228-E230 PolarHBondContact O-N 3.15Å
229T86.2Confident88.1Confident0 Ų037.8 Ų37.80%021%0.213CC..  trans-70.4115.5177.855.20000109.5Y192 G200 S203 I205 Y227Y192-T229 HydrophobicContact CD1-CG2 4.45Å; Y192-T229 HydrophobicContact CE1-CG2 3.84Å; Y192-T229 HydrophobicContact CE2-CG2 4.16Å; G200-T229 CarbonylContact C-O 3.43Å; G200-T229 WeakPolarHBondContact CA-O 3.38Å; G200-T229 PolarHBondContact O-N 3.36Å; G200-T229 PolarHBondContact O-OG1 2.85Å; S203-T229 WeakPolarHBondContact O-CG2 3.48Å; S203-T229 PolarHBondContact OG-OG1 2.9Å; I205-T229 HydrophobicContact CG1-CG2 4.41Å; Y227-T229 PolarHBondContact O-N 2.85Å
230E89.4Confident88.6Confident80 Ų8038 Ų3837%0.37421%0.209SC..  trans-129.7164.3177.262.2-177.9-169.600111.6F52 Y192 P228 G232 L233F52-E230 WeakPolarHBondContact CD1-OE1 3.26Å; F52-E230 VanDerWaalsContact CE1-OE1 3.22Å; F52-E230 WeakPolarHBondContact CE1-OE1 3.46Å; Y192-E230 WeakPolarHBondContact CB-O 3.35Å; P228-E230 PolarHBondContact O-N 3.15Å; E230-G232 PolarHBondContact O-N 2.76Å; E230-L233 HydrophobicContact CG-CB 4.36Å; E230-L233 WeakPolarHBondContact O-CB 3.36Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-L233 VanDerWaalsContact O-N 3.11Å
231S90.6Very high88Confident59 Ų5934.3 Ų34.341%0.41320%0.195SC..THydrogen-bonded Turntrans-64.9131.5179.2-168.90000110.2K194K194-S231 PolarHBondContact N-OG 3.49Å
232G92.5Very high87.4Confident13 Ų1332.6 Ų32.613%0.13419%0.189CC..THydrogen-bonded Turntrans87.34.1-174.700000114F52 N53 Q54 Y192 E230F52-G232 CarbonylContact C-O 3.54Å; N53-G232 PolarHBondContact N-O 2.83Å; Q54-G232 PolarHBondContact N-O 2.8Å; Q54-G232 WeakPolarHBondContact O-CA 3.35Å; Y192-G232 PolarHBondContact O-N 3.39Å; E230-G232 PolarHBondContact O-N 2.76Å
233L92.9Very high86.9Confident1 Ų129 Ų291%0.00517%0.173CC..  trans-77.4132.1172.6-170.871.4000110.6V50 F52 Y192 E230 V235V50-L233 HydrophobicContact CG1-CD1 3.45Å; V50-L233 VanDerWaalsContact CG1-CD1 3.45Å; V50-L233 HydrophobicContact CG1-CG 4.42Å; F52-L233 HydrophobicContact CD1-CD1 3.75Å; F52-L233 HydrophobicContact CE1-CD1 3.54Å; F52-L233 HydrophobicContact CG-CD1 4.44Å; F52-L233 HydrophobicContact CZ-CD1 4.07Å; Y192-L233 HydrophobicContact CD2-CB 4.08Å; Y192-L233 HydrophobicContact CD2-CD2 4.1Å; Y192-L233 HydrophobicContact CD2-CG 4.33Å; Y192-L233 HydrophobicContact CE2-CD2 4.4Å; Y192-L233 PolarHBondContact N-O 3.29Å; E230-L233 HydrophobicContact CG-CB 4.36Å; E230-L233 WeakPolarHBondContact O-CB 3.36Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-L233 VanDerWaalsContact O-N 3.11Å; L233-V235 HydrophobicContact CD2-CG2 3.97Å; L233-V235 HydrophobicContact CG-CG2 4.06Å
234L95.1Very high86.3Confident2 Ų234.2 Ų34.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-115.8128.4165.3169.459.3000108.6V50 R51 Q54 I190 Y191 E236V50-L234 CarbonylContact C-O 3.49Å; V50-L234 WeakPolarHBondContact CA-O 3.32Å; R51-L234 HydrophobicContact CB-CB 4.32Å; R51-L234 PolarHBondContact N-O 3.08Å; R51-L234 PolarHBondContact O-N 2.9Å; Q54-L234 HydrophobicContact CB-CB 3.7Å; Q54-L234 HydrophobicContact CB-CD2 4.32Å; Q54-L234 HydrophobicContact CG-CB 3.56Å; Q54-L234 HydrophobicContact CG-CD2 3.9Å; Q54-L234 HydrophobicContact CG-CG 4.39Å; I190-L234 WeakPolarHBondContact O-CA 3.21Å; Y191-L234 HydrophobicContact CD1-CB 4.36Å; Y191-L234 HydrophobicContact CD1-CD1 3.81Å; Y191-L234 HydrophobicContact CD1-CG 4.48Å; Y191-L234 HydrophobicContact CD2-CD1 3.91Å; Y191-L234 HydrophobicContact CE1-CB 4.4Å; Y191-L234 HydrophobicContact CE1-CD1 3.55Å; Y191-L234 HydrophobicContact CE1-CD2 3.86Å; Y191-L234 HydrophobicContact CE1-CG 4.13Å; Y191-L234 HydrophobicContact CE2-CD1 3.63Å; Y191-L234 HydrophobicContact CG-CD1 3.98Å; Y191-L234 VanDerWaalsContact CZ-CD1 3.44Å; L234-E236 HydrophobicContact CD1-CG 3.77Å; L234-E236 HydrophobicContact CD2-CG 3.9Å; L234-E236 HydrophobicContact CG-CG 3.69Å
235V95Very high86Confident0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-117.6122.4168.9-175.70000109.1E48 F49 V50 S189 I190 I205 L233 F237E48-V235 HydrophobicContact CG-CG1 3.78Å; F49-V235 CarbonylContact O-C 3.58Å; F49-V235 WeakPolarHBondContact O-CA 3.2Å; V50-V235 HydrophobicContact CG1-CG2 4.39Å; V50-V235 HydrophobicContact CG2-CG1 4.2Å; V50-V235 HydrophobicContact CG2-CG2 4.08Å; S189-V235 CarbonylContact C-O 3.55Å; S189-V235 WeakPolarHBondContact CA-O 3.03Å; I190-V235 PolarHBondContact N-O 3.01Å; I190-V235 PolarHBondContact O-N 3.06Å; I205-V235 HydrophobicContact CD1-CB 3.52Å; I205-V235 HydrophobicContact CD1-CG1 3.87Å; I205-V235 HydrophobicContact CD1-CG2 3.43Å; I205-V235 VanDerWaalsContact CD1-CG2 3.43Å; L233-V235 HydrophobicContact CD2-CG2 3.97Å; L233-V235 HydrophobicContact CG-CG2 4.06Å; V235-F237 HydrophobicContact CG1-CD2 4.29Å; V235-F237 HydrophobicContact CG1-CE1 4.47Å; V235-F237 HydrophobicContact CG1-CE2 3.57Å; V235-F237 HydrophobicContact CG1-CZ 3.68Å
236E95.6Very high85.9Confident31 Ų3138.5 Ų38.515%0.14521%0.214CC..EExtended strand (participates in β ladder)trans-114.7121.8179.3-48.5-167.610300110.1E48 F49 R51 I188 S189 L234E48-E236 CarbonylContact C-O 3.41Å; E48-E236 WeakPolarHBondContact CA-O 3.35Å; F49-E236 HydrophobicContact CB-CB 4.28Å; F49-E236 PolarHBondContact N-O 3.31Å; F49-E236 PolarHBondContact O-N 2.95Å; R51-E236 IonicContact CZ-OE2 2.8Å; R51-E236 IonicContact NE-OE2 3.94Å; R51-E236 IonicContact NH1-OE2 2.95Å; R51-E236 PolarHBondContact NH1-OE2 3.45Å; R51-E236 VanDerWaalsContact NH1-OE2 3.08Å; R51-E236 IonicContact NH2-OE2 3.3Å; R51-E236 PolarHBondContact NH2-OE2 3.27Å; I188-E236 CarbonylContact O-C 3.5Å; I188-E236 VanDerWaalsContact O-CA 3.29Å; I188-E236 WeakPolarHBondContact O-CA 2.98Å; S189-E236 PolarHBondContact OG-OE1 2.75Å; S189-E236 VanDerWaalsContact OG-OE1 3.06Å; L234-E236 HydrophobicContact CD1-CG 3.77Å; L234-E236 HydrophobicContact CD2-CG 3.9Å; L234-E236 HydrophobicContact CG-CG 3.69Å
237F95.3Very high86.3Confident1 Ų142.1 Ų42.10%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-99.4113.2169.3-59.1-87.4000108.3Y46 S47 E48 N187 I188 I190 I205 L207 I223 V235Y46-F237 HydrophobicContact CD1-CB 3.65Å; Y46-F237 HydrophobicContact CE1-CB 4.33Å; Y46-F237 HydrophobicContact CG-CB 4.02Å; S47-F237 WeakPolarHBondContact O-CA 3.46Å; E48-F237 HydrophobicContact CB-CD1 3.98Å; E48-F237 HydrophobicContact CB-CE1 3.82Å; E48-F237 HydrophobicContact CG-CD1 4.26Å; E48-F237 HydrophobicContact CG-CE1 3.74Å; E48-F237 HydrophobicContact CG-CZ 4.17Å; N187-F237 CarbonylContact C-O 3.59Å; N187-F237 WeakPolarHBondContact CA-O 3.27Å; I188-F237 HydrophobicContact CB-CB 4.2Å; I188-F237 HydrophobicContact CB-CD2 4.44Å; I188-F237 PolarHBondContact N-O 3.46Å; I188-F237 PolarHBondContact O-N 3.04Å; I190-F237 HydrophobicContact CD1-CE2 4.06Å; I205-F237 HydrophobicContact CG2-CE2 4.11Å; I205-F237 HydrophobicContact CG2-CZ 4.25Å; L207-F237 HydrophobicContact CD1-CD2 4.07Å; L207-F237 HydrophobicContact CD1-CE1 4.17Å; L207-F237 HydrophobicContact CD1-CE2 3.59Å; L207-F237 HydrophobicContact CD1-CZ 3.64Å; L207-F237 HydrophobicContact CD2-CB 4.42Å; L207-F237 HydrophobicContact CD2-CD1 4.08Å; L207-F237 HydrophobicContact CD2-CD2 4.11Å; L207-F237 HydrophobicContact CD2-CE1 4.39Å; L207-F237 HydrophobicContact CD2-CE2 4.41Å; L207-F237 HydrophobicContact CD2-CG 3.93Å; I223-F237 HydrophobicContact CG2-CE1 3.79Å; V235-F237 HydrophobicContact CG1-CD2 4.29Å; V235-F237 HydrophobicContact CG1-CE1 4.47Å; V235-F237 HydrophobicContact CG1-CE2 3.57Å; V235-F237 HydrophobicContact CG1-CZ 3.68Å
238T93.2Very high86.6Confident47 Ų4746.9 Ų46.929%0.28824%0.24SC..EExtended strand (participates in β ladder)trans-100.2124.1173.8-60.30000108.3Y46 S47 I240Y46-T238 CarbonylContact C-O 3.47Å; Y46-T238 VanDerWaalsContact CA-O 3.29Å; Y46-T238 WeakPolarHBondContact CA-O 3.36Å; S47-T238 PolarHBondContact N-O 2.8Å; S47-T238 PolarHBondContact O-N 2.87Å; T238-I240 PolarHBondContact O-N 2.94Å
239P89.1Confident86.8Confident42 Ų4244.9 Ų44.927%0.27323%0.227SC..EExtended strand (participates in β ladder)trans-54125.7174.6-23.432000110.1Y45 Y46 G186 N187 S241Y45-P239 CarbonylContact O-C 3.26Å; Y45-P239 WeakPolarHBondContact O-CA 3.46Å; Y46-P239 HydrophobicContact CD1-CG 4.27Å; Y46-P239 HydrophobicContact CE1-CB 4.45Å; Y46-P239 HydrophobicContact CE1-CG 3.93Å; G186-P239 WeakPolarHBondContact O-CD 3.48Å; G186-P239 WeakPolarHBondContact O-CG 3.35Å; N187-P239 VanDerWaalsContact OD1-CD 3.22Å; N187-P239 WeakPolarHBondContact OD1-CD 3.49Å; P239-S241 PolarHBondContact O-N 2.88Å
240I82.7Confident86.9Confident30 Ų3049.1 Ų49.115%0.15425%0.247CC..PPolyproline II helixtrans-71.6128.2165.3-59.7171.1000104.6D42 H43 Y45 T238 N242D42-I240 HydrophobicContact CB-CD1 4.27Å; H43-I240 WeakPolarHBondContact O-CD1 3.3Å; Y45-I240 PolarHBondContact O-N 2.78Å; T238-I240 PolarHBondContact O-N 2.94Å; I240-N242 PolarHBondContact O-N 2.78Å
241S71.7Confident86.8Confident21 Ų2148.3 Ų48.315%0.14725%0.245CC..PPolyproline II helixtrans-46.7123.3-179.950.40000109.2P239 C243 R260P239-S241 PolarHBondContact O-N 2.88Å; S241-C243 PolarHBondContact O-N 3.15Å; S241-C243 VanDerWaalsContact O-N 3.12Å; S241-R260 VanDerWaalsContact OG-CD 3.23Å; S241-R260 WeakPolarHBondContact OG-CD 3.41Å; S241-R260 PolarHBondContact OG-NE 3.38Å; S241-R260 PolarHBondContact OG-NH1 2.75Å; S241-R260 VanDerWaalsContact OG-NH1 3.07Å
242N70.2Confident86.6Confident23 Ų2345.5 Ų45.512%0.12323%0.225CC..PPolyproline II helixtrans-68.8118.9-174.6-170.8-4.6000107.2I240 M244 E245I240-N242 PolarHBondContact O-N 2.78Å; N242-M244 WeakPolarHBondContact ND2-CE 3.44Å; N242-M244 PolarHBondContact O-N 3.44Å; N242-M244 WeakPolarHBondContact OD1-CB 3.38Å; N242-M244 VanDerWaalsContact OD1-CG 3.3Å; N242-M244 WeakPolarHBondContact OD1-CG 3.29Å; N242-M244 PolarHBondContact OD1-N 2.81Å; N242-M244 VanDerWaalsContact OD1-N 3.16Å; N242-E245 WeakPolarHBondContact O-CB 3.21Å; N242-E245 WeakPolarHBondContact O-CG 3.39Å; N242-E245 PolarHBondContact O-N 3.07Å
243C77.7Confident86.1Confident1 Ų146.9 Ų46.91%0.00723%0.231CC..G310 helixtrans-54.3-24.5176.2-59.80000111.5S241 E245 Y246 C262 C271 R272 H273S241-C243 PolarHBondContact O-N 3.15Å; S241-C243 VanDerWaalsContact O-N 3.12Å; C243-E245 PolarHBondContact O-N 2.79Å; C243-E245 VanDerWaalsContact O-N 3.09Å; C243-Y246 WeakPolarHBondContact O-CD2 3.31Å; C243-Y246 PolarHBondContact O-N 3.47Å; C243-C262 WeakPolarHBondContact CA-SG 3.23Å; C243-C262 HydrophobicContact CB-CB 3.71Å; C243-C262 WeakPolarHBondContact CB-SG 3.04Å; C243-C262 WeakPolarHBondContact SG-CA 3.19Å; C243-C262 WeakPolarHBondContact SG-CB 3.47Å; C243-C262 CovalentContact SG-SG 2.03Å; C243-C262 PolarHBondContact SG-SG 2.81Å; C243-C271 CarbonylContact C-O 3.5Å; C243-C271 VanDerWaalsContact C-O 3.26Å; C243-C271 HydrophobicContact CB-CB 4.44Å; C243-C271 WeakPolarHBondContact O-CB 3.34Å; C243-C271 PolarHBondContact O-SG 3.06Å; C243-C271 VanDerWaalsContact O-SG 3.38Å; C243-R272 VanDerWaalsContact CB-C 3.5Å; C243-H273 WeakPolarHBondContact SG-CA 3.5Å; C243-H273 PolarHBondContact SG-N 3.17Å
244M74.8Confident85.4Confident109 Ų10953 Ų5354%0.53726%0.258SS..G310 helixtrans-61.3-14.2175-61.7-159.8-77.300114.7N242 Y246 C271N242-M244 WeakPolarHBondContact ND2-CE 3.44Å; N242-M244 PolarHBondContact O-N 3.44Å; N242-M244 WeakPolarHBondContact OD1-CB 3.38Å; N242-M244 VanDerWaalsContact OD1-CG 3.3Å; N242-M244 WeakPolarHBondContact OD1-CG 3.29Å; N242-M244 PolarHBondContact OD1-N 2.81Å; N242-M244 VanDerWaalsContact OD1-N 3.16Å; M244-Y246 PolarHBondContact O-N 2.73Å; M244-C271 PolarHBondContact N-O 2.88Å
245E80.7Confident84Confident139 Ų13954 Ų5465%0.6526%0.262SS*.G310 helixtrans-67.7-26.4171.9-67.4-177.1-175.100112.1N242 C243 K247N242-E245 WeakPolarHBondContact O-CB 3.21Å; N242-E245 WeakPolarHBondContact O-CG 3.39Å; N242-E245 PolarHBondContact O-N 3.07Å; C243-E245 PolarHBondContact O-N 2.79Å; C243-E245 VanDerWaalsContact O-N 3.09Å; E245-K247 PolarHBondContact O-N 3.11Å
246Y85.2Confident82.3Confident43 Ų4360 Ų6017%0.16929%0.286CS..  trans-81.7104.2177.7-54.4-62.2000111C243 M244 F248 D251 C252 E255 C271C243-Y246 WeakPolarHBondContact O-CD2 3.31Å; C243-Y246 PolarHBondContact O-N 3.47Å; M244-Y246 PolarHBondContact O-N 2.73Å; Y246-F248 VanDerWaalsContact C-N 3.29Å; Y246-D251 HydrophobicContact CD1-CB 3.68Å; Y246-D251 HydrophobicContact CG-CB 4.38Å; Y246-C252 HydrophobicContact CG-CB 4.48Å; Y246-E255 HydrophobicContact CE2-CB 4.49Å; Y246-E255 WeakPolarHBondContact CE2-OE2 3.26Å; Y246-E255 VanDerWaalsContact CZ-CD 3.42Å; Y246-E255 VanDerWaalsContact CZ-OE2 3.28Å; Y246-E255 PolarHBondContact OH-OE1 2.82Å; Y246-E255 PolarHBondContact OH-OE2 2.71Å; Y246-C271 WeakPolarHBondContact O-CB 3.48Å
247K87.8Confident80.2Confident166 Ų16662.7 Ų62.772%0.72230%0.304SS*.  trans-78.4-14.3175.8-63.1-174.5-180-178.20113.7E245 W264E245-K247 PolarHBondContact O-N 3.11Å; K247-W264 WeakPolarHBondContact O-CH2 3.2Å
248F89.3Confident78.3Confident126 Ų12670.4 Ų70.455%0.55334%0.338SS*.SBendtrans-124.6144.5-174.6-56.9-73.3000110.6Y246 E250 D251 C252Y246-F248 VanDerWaalsContact C-N 3.29Å; F248-E250 PolarHBondContact O-N 2.91Å; F248-D251 PolarHBondContact O-N 2.98Å; F248-C252 WeakPolarHBondContact O-CB 3.42Å; F248-C252 PolarHBondContact O-N 3.46Å
249C88.8Confident76.8Confident8 Ų870.7 Ų70.75%0.05435%0.351CS..Hα-helixtrans-57.9-40.2177.8177.10000111.4D251 C252 T253 W264 C295C249-D251 VanDerWaalsContact C-N 3.31Å; C249-D251 PolarHBondContact O-N 3.23Å; C249-C252 WeakPolarHBondContact O-CB 3.4Å; C249-C252 PolarHBondContact O-N 2.76Å; C249-T253 WeakPolarHBondContact O-CB 3.36Å; C249-T253 WeakPolarHBondContact O-CG2 3.18Å; C249-T253 PolarHBondContact O-N 3.22Å; C249-T253 PolarHBondContact O-OG1 3.01Å; C249-W264 HydrophobicContact CB-CB 4.42Å; C249-W264 HydrophobicContact CB-CD2 3.69Å; C249-W264 HydrophobicContact CB-CE3 4.27Å; C249-W264 HydrophobicContact CB-CG 3.73Å; C249-W264 HydrophobicContact CB-CZ2 4.3Å; C249-C295 HydrophobicContact CB-CB 3.63Å; C249-C295 WeakPolarHBondContact CB-SG 3.13Å; C249-C295 PolarHBondContact O-SG 2.85Å; C249-C295 VanDerWaalsContact O-SG 3.35Å; C249-C295 WeakPolarHBondContact SG-CA 3.14Å; C249-C295 WeakPolarHBondContact SG-CB 3.18Å; C249-C295 CovalentContact SG-SG 2.05Å; C249-C295 PolarHBondContact SG-SG 3.09Å
250E87.7Confident75.6Confident90 Ų9073.7 Ų73.742%0.42136%0.356SS..Hα-helixtrans-61.6-42.2-178.3-65.777-170.900111F248 T253 K254 C295F248-E250 PolarHBondContact O-N 2.91Å; E250-T253 PolarHBondContact O-OG1 2.8Å; E250-K254 VanDerWaalsContact O-CB 3.3Å; E250-K254 WeakPolarHBondContact O-CB 3.48Å; E250-K254 VanDerWaalsContact O-CD 3.31Å; E250-K254 WeakPolarHBondContact O-CD 3.44Å; E250-K254 WeakPolarHBondContact O-CG 3.46Å; E250-K254 PolarHBondContact O-N 3.25Å; E250-C295 HydrophobicContact CG-CB 4.14Å; E250-C295 PolarHBondContact N-SG 2.94Å; E250-C295 WeakPolarHBondContact OE1-CB 3.37Å
251D87Confident75.2Confident63 Ų6376.3 Ų76.334%0.33737%0.367SS..Hα-helixtrans-75.4-38.1-179-58.9-30.6000110.9Y246 F248 C249 T253 K254 E255Y246-D251 HydrophobicContact CD1-CB 3.68Å; Y246-D251 HydrophobicContact CG-CB 4.38Å; F248-D251 PolarHBondContact O-N 2.98Å; C249-D251 VanDerWaalsContact C-N 3.31Å; C249-D251 PolarHBondContact O-N 3.23Å; D251-T253 VanDerWaalsContact C-N 3.33Å; D251-T253 PolarHBondContact O-N 3.01Å; D251-K254 IonicContact OD1-NZ 3.2Å; D251-K254 PolarHBondContact OD1-NZ 3.08Å; D251-E255 PolarHBondContact O-N 3.18Å
252C85.8Confident75.5Confident0 Ų075.5 Ų75.50%036%0.361CS..Hα-helixtrans-59.1-42.2174.1-174.10000112.8Y246 F248 C249 W264 C271Y246-C252 HydrophobicContact CG-CB 4.48Å; F248-C252 WeakPolarHBondContact O-CB 3.42Å; F248-C252 PolarHBondContact O-N 3.46Å; C249-C252 WeakPolarHBondContact O-CB 3.4Å; C249-C252 PolarHBondContact O-N 2.76Å; C252-W264 HydrophobicContact CB-CB 4.34Å; C252-W264 HydrophobicContact CB-CE3 3.94Å; C252-W264 PolarHBondContact SG-N 3.37Å; C252-C271 VanDerWaalsContact CA-SG 3.56Å; C252-C271 HydrophobicContact CB-CB 3.54Å; C252-C271 WeakPolarHBondContact CB-SG 3.36Å; C252-C271 WeakPolarHBondContact SG-CB 3.32Å; C252-C271 CovalentContact SG-SG 2.01Å; C252-C271 PolarHBondContact SG-SG 3.22Å
253T82Confident76Confident41 Ų4177 Ų7725%0.25237%0.367SS..Hα-helixtrans-85.2-28.8-176.2540000113.2C249 E250 D251 E255 Y256C249-T253 WeakPolarHBondContact O-CB 3.36Å; C249-T253 WeakPolarHBondContact O-CG2 3.18Å; C249-T253 PolarHBondContact O-N 3.22Å; C249-T253 PolarHBondContact O-OG1 3.01Å; E250-T253 PolarHBondContact O-OG1 2.8Å; D251-T253 VanDerWaalsContact C-N 3.33Å; D251-T253 PolarHBondContact O-N 3.01Å; T253-E255 PolarHBondContact O-N 3.23Å; T253-Y256 VanDerWaalsContact O-CB 3.32Å; T253-Y256 WeakPolarHBondContact O-CB 3.29Å; T253-Y256 PolarHBondContact O-N 2.74Å
254K78.1Confident76.3Confident131 Ų13178 Ų7857%0.5737%0.371SS*.Hα-helixtrans-60.6-34.6173.3-81.6166.9-162.6162.20112.1E250 D251 Y256 T257E250-K254 VanDerWaalsContact O-CB 3.3Å; E250-K254 WeakPolarHBondContact O-CB 3.48Å; E250-K254 VanDerWaalsContact O-CD 3.31Å; E250-K254 WeakPolarHBondContact O-CD 3.44Å; E250-K254 WeakPolarHBondContact O-CG 3.46Å; E250-K254 PolarHBondContact O-N 3.25Å; D251-K254 IonicContact OD1-NZ 3.2Å; D251-K254 PolarHBondContact OD1-NZ 3.08Å; K254-Y256 PolarHBondContact O-N 2.83Å; K254-T257 PolarHBondContact O-OG1 3.11Å; K254-T257 VanDerWaalsContact O-OG1 3.1Å
255E65.9Low76.7Confident23 Ų2372.8 Ų72.811%0.10735%0.345CS..G310 helixtrans-72.9-9.3-174.8-131.8-163.1-171.300114.7Y246 D251 T253 T257 F258 R260Y246-E255 HydrophobicContact CE2-CB 4.49Å; Y246-E255 WeakPolarHBondContact CE2-OE2 3.26Å; Y246-E255 VanDerWaalsContact CZ-CD 3.42Å; Y246-E255 VanDerWaalsContact CZ-OE2 3.28Å; Y246-E255 PolarHBondContact OH-OE1 2.82Å; Y246-E255 PolarHBondContact OH-OE2 2.71Å; D251-E255 PolarHBondContact O-N 3.18Å; T253-E255 PolarHBondContact O-N 3.23Å; E255-T257 PolarHBondContact O-N 3.25Å; E255-F258 PolarHBondContact O-N 3.05Å; E255-R260 WeakPolarHBondContact OE1-CD 3.35Å; E255-R260 IonicContact OE1-CZ 2.72Å; E255-R260 IonicContact OE1-NE 3.79Å; E255-R260 IonicContact OE1-NH1 3.55Å; E255-R260 PolarHBondContact OE1-NH1 2.88Å; E255-R260 WeakPolarHBondContact OE2-CD 3.35Å
256Y60.3Low76.8Confident126 Ų12667.9 Ų67.949%0.49433%0.326SS..G310 helixtrans-52.4-25.1174.3-165.4-94.5000112.6T253 K254 F258 I292T253-Y256 VanDerWaalsContact O-CB 3.32Å; T253-Y256 WeakPolarHBondContact O-CB 3.29Å; T253-Y256 PolarHBondContact O-N 2.74Å; K254-Y256 PolarHBondContact O-N 2.83Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 3.3Å; Y256-I292 HydrophobicContact CD1-CD1 4.01Å; Y256-I292 HydrophobicContact CE1-CD1 4.07Å
257T51.3Low76.5Confident86 Ų8669.4 Ų69.453%0.52834%0.336SS..G310 helixtrans-70.5-18.3-179.552.90000115.1K254 E255K254-T257 PolarHBondContact O-OG1 3.11Å; K254-T257 VanDerWaalsContact O-OG1 3.1Å; E255-T257 PolarHBondContact O-N 3.25Å
258F56Low76.1Confident163 Ų16364.7 Ų64.772%0.71532%0.315SS*.G310 helixtrans-10317-175.1-70.4-77.1000114.2E255 Y256 R260E255-F258 PolarHBondContact O-N 3.05Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 3.3Å; F258-R260 PolarHBondContact O-N 3.28Å
259G61Low76Confident54 Ų5464.2 Ų64.256%0.55732%0.318SS*.THydrogen-bonded Turntrans77-1.9-177.200000114.2
260R63.5Low75.7Confident104 Ų10466.3 Ų66.339%0.39233%0.331SS..  trans-79.1119.3174-67.8171.6175.9-167.7-3.2109.3S241 E255 F258 C262S241-R260 VanDerWaalsContact OG-CD 3.23Å; S241-R260 WeakPolarHBondContact OG-CD 3.41Å; S241-R260 PolarHBondContact OG-NE 3.38Å; S241-R260 PolarHBondContact OG-NH1 2.75Å; S241-R260 VanDerWaalsContact OG-NH1 3.07Å; E255-R260 WeakPolarHBondContact OE1-CD 3.35Å; E255-R260 IonicContact OE1-CZ 2.72Å; E255-R260 IonicContact OE1-NE 3.79Å; E255-R260 IonicContact OE1-NH1 3.55Å; E255-R260 PolarHBondContact OE1-NH1 2.88Å; E255-R260 WeakPolarHBondContact OE2-CD 3.35Å; F258-R260 PolarHBondContact O-N 3.28Å; R260-C262 VanDerWaalsContact C-N 3.29Å; R260-C262 PolarHBondContact O-N 3.06Å; R260-C262 VanDerWaalsContact O-N 3.16Å
261K73.7Confident75.5Confident85 Ų8562 Ų6237%0.3731%0.311SS..  trans-91.758.1-173.3-61.5-177.4-177.7-178.80111.6H263 H273 F274K261-H263 PolarHBondContact O-CD2 2.78Å; K261-H263 VanDerWaalsContact O-CD2 3.27Å; K261-H273 PolarHBondContact O-CD2 2.84Å; K261-H273 VanDerWaalsContact O-CD2 3.22Å; K261-F274 HydrophobicContact CB-CB 4.42Å; K261-F274 PolarHBondContact O-N 2.79Å
262C79.5Confident75Confident4 Ų462.8 Ų62.83%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-82.6134.7172.6-66.20000110.8C243 R260C243-C262 WeakPolarHBondContact CA-SG 3.23Å; C243-C262 HydrophobicContact CB-CB 3.71Å; C243-C262 WeakPolarHBondContact CB-SG 3.04Å; C243-C262 WeakPolarHBondContact SG-CA 3.19Å; C243-C262 WeakPolarHBondContact SG-CB 3.47Å; C243-C262 CovalentContact SG-SG 2.03Å; C243-C262 PolarHBondContact SG-SG 2.81Å; R260-C262 VanDerWaalsContact C-N 3.29Å; R260-C262 PolarHBondContact O-N 3.06Å; R260-C262 VanDerWaalsContact O-N 3.16Å
263H79.9Confident74.6Confident54 Ų5463.5 Ų63.525%0.2531%0.313CS..EExtended strand (participates in β ladder)trans-128.3129.4-179.6-65.6-87.4000109.4K261 C265 R272 F274K261-H263 PolarHBondContact O-CD2 2.78Å; K261-H263 VanDerWaalsContact O-CD2 3.27Å; H263-C265 PolarHBondContact O-N 2.84Å; H263-R272 PolarHBondContact N-O 2.81Å; H263-R272 PolarHBondContact O-N 2.86Å; H263-R272 VanDerWaalsContact O-O 3.14Å; H263-F274 AromaticContact NE2-CD2 3.78Å
264W84.6Confident74Confident23 Ų2365 Ų659%0.08732%0.316CS..EExtended strand (participates in β ladder)trans-74.9123.7172-174-107000108.4K247 C249 C252 P266 N269 C271K247-W264 WeakPolarHBondContact O-CH2 3.2Å; C249-W264 HydrophobicContact CB-CB 4.42Å; C249-W264 HydrophobicContact CB-CD2 3.69Å; C249-W264 HydrophobicContact CB-CE3 4.27Å; C249-W264 HydrophobicContact CB-CG 3.73Å; C249-W264 HydrophobicContact CB-CZ2 4.3Å; C252-W264 HydrophobicContact CB-CB 4.34Å; C252-W264 HydrophobicContact CB-CE3 3.94Å; C252-W264 PolarHBondContact SG-N 3.37Å; W264-P266 WeakPolarHBondContact O-CD 3.22Å; W264-N269 WeakPolarHBondContact CH2-O 3.45Å; W264-N269 VanDerWaalsContact CZ2-OD1 3.23Å; W264-N269 WeakPolarHBondContact CZ2-OD1 3.37Å; W264-C271 HydrophobicContact CE3-CB 3.83Å; W264-C271 HydrophobicContact CZ3-CB 4.14Å
265C82Confident73.5Confident0 Ų063.7 Ų63.70%031%0.307CS..EExtended strand (participates in β ladder)trans-101.1110.7167.5-177.20000109.8H263 I267 F268 N269 T270 C287H263-C265 PolarHBondContact O-N 2.84Å; C265-I267 VanDerWaalsContact C-N 3.25Å; C265-I267 PolarHBondContact O-N 3.18Å; C265-F268 HydrophobicContact CB-CD2 3.94Å; C265-F268 PolarHBondContact O-N 3.16Å; C265-F268 VanDerWaalsContact SG-CD2 3.53Å; C265-N269 PolarHBondContact O-N 2.84Å; C265-T270 PolarHBondContact N-O 3.36Å; C265-T270 PolarHBondContact O-N 2.94Å; C265-C287 HydrophobicContact CB-CB 3.75Å; C265-C287 WeakPolarHBondContact CB-SG 3.46Å; C265-C287 WeakPolarHBondContact SG-CB 3.04Å; C265-C287 CovalentContact SG-SG 2.04Å; C265-C287 PolarHBondContact SG-SG 3.2Å
266P82.6Confident73.3Confident36 Ų3663.9 Ų63.923%0.23431%0.309CS..THydrogen-bonded Turntrans-58.3-36.3179.7-25.234.3000113.2W264 F268 N269W264-P266 WeakPolarHBondContact O-CD 3.22Å; P266-F268 VanDerWaalsContact C-N 3.33Å; P266-F268 PolarHBondContact O-N 2.8Å; P266-N269 PolarHBondContact O-N 3.27Å; P266-N269 VanDerWaalsContact O-N 3.16Å
267I80.8Confident73.4Confident74 Ų7458.2 Ų58.238%0.37929%0.287SS..THydrogen-bonded Turntrans-62.8-41.2-178.8-62.2-161000111.8C265 K285 D286C265-I267 VanDerWaalsContact C-N 3.25Å; C265-I267 PolarHBondContact O-N 3.18Å; I267-K285 HydrophobicContact CD1-CB 3.95Å; I267-K285 WeakPolarHBondContact CD1-O 3.3Å; I267-D286 HydrophobicContact CD1-CB 4.4Å
268F79.1Confident74.1Confident67 Ų6758.6 Ų58.629%0.29429%0.286SS..THydrogen-bonded Turntrans-91.8-2.9178.7-59.2-60.6000112.7C265 P266 T270 T281C265-F268 HydrophobicContact CB-CD2 3.94Å; C265-F268 PolarHBondContact O-N 3.16Å; C265-F268 VanDerWaalsContact SG-CD2 3.53Å; P266-F268 VanDerWaalsContact C-N 3.33Å; P266-F268 PolarHBondContact O-N 2.8Å; F268-T270 WeakPolarHBondContact CB-OG1 3.38Å; F268-T270 WeakPolarHBondContact O-CG2 3.05Å; F268-T270 PolarHBondContact O-N 3.03Å; F268-T270 PolarHBondContact O-OG1 3.27Å; F268-T281 HydrophobicContact CE2-CG2 3.87Å; F268-T281 HydrophobicContact CZ-CG2 3.94Å
269N85.9Confident74.4Confident116 Ų11656.1 Ų56.162%0.6228%0.278SS*.THydrogen-bonded Turntrans44.838.2-172.4-16448.2000112.7W264 C265 P266W264-N269 WeakPolarHBondContact CH2-O 3.45Å; W264-N269 VanDerWaalsContact CZ2-OD1 3.23Å; W264-N269 WeakPolarHBondContact CZ2-OD1 3.37Å; C265-N269 PolarHBondContact O-N 2.84Å; P266-N269 PolarHBondContact O-N 3.27Å; P266-N269 VanDerWaalsContact O-N 3.16Å
270T82.7Confident74.4Confident52 Ų5261 Ų6132%0.31929%0.286SS..EExtended strand (participates in β ladder)trans-140.5147.3-174.546.20000110.6C265 F268 R272C265-T270 PolarHBondContact N-O 3.36Å; C265-T270 PolarHBondContact O-N 2.94Å; F268-T270 WeakPolarHBondContact CB-OG1 3.38Å; F268-T270 WeakPolarHBondContact O-CG2 3.05Å; F268-T270 PolarHBondContact O-N 3.03Å; F268-T270 PolarHBondContact O-OG1 3.27Å; T270-R272 PolarHBondContact OG1-NE 2.78Å
271C83.4Confident74.4Confident1 Ų157.8 Ų57.81%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-85.3126.1172-172.80000109.8C243 M244 Y246 C252 W264C243-C271 CarbonylContact C-O 3.5Å; C243-C271 VanDerWaalsContact C-O 3.26Å; C243-C271 HydrophobicContact CB-CB 4.44Å; C243-C271 WeakPolarHBondContact O-CB 3.34Å; C243-C271 PolarHBondContact O-SG 3.06Å; C243-C271 VanDerWaalsContact O-SG 3.38Å; M244-C271 PolarHBondContact N-O 2.88Å; Y246-C271 WeakPolarHBondContact O-CB 3.48Å; C252-C271 VanDerWaalsContact CA-SG 3.56Å; C252-C271 HydrophobicContact CB-CB 3.54Å; C252-C271 WeakPolarHBondContact CB-SG 3.36Å; C252-C271 WeakPolarHBondContact SG-CB 3.32Å; C252-C271 CovalentContact SG-SG 2.01Å; C252-C271 PolarHBondContact SG-SG 3.22Å; W264-C271 HydrophobicContact CE3-CB 3.83Å; W264-C271 HydrophobicContact CZ3-CB 4.14Å
272R77.8Confident73.9Confident79 Ų7954.2 Ų54.230%0.29826%0.263SS..EExtended strand (participates in β ladder)trans-129.2149-176.8-64.7-170.8178.5-149.7-0.1110.3C243 H263 T270 I277C243-R272 VanDerWaalsContact CB-C 3.5Å; H263-R272 PolarHBondContact N-O 2.81Å; H263-R272 PolarHBondContact O-N 2.86Å; H263-R272 VanDerWaalsContact O-O 3.14Å; T270-R272 PolarHBondContact OG1-NE 2.78Å; R272-I277 HydrophobicContact CB-CD1 4.1Å; R272-I277 HydrophobicContact CB-CG1 3.96Å
273H75.6Confident73.2Confident14 Ų1460.6 Ų60.67%0.06530%0.296CS..EExtended strand (participates in β ladder)trans-72.1143.2171.7-167.9-113.1000109.2C243 K261 R275 D276C243-H273 WeakPolarHBondContact SG-CA 3.5Å; C243-H273 PolarHBondContact SG-N 3.17Å; K261-H273 PolarHBondContact O-CD2 2.84Å; K261-H273 VanDerWaalsContact O-CD2 3.22Å; H273-R275 PolarHBondContact O-N 3.26Å; H273-D276 HydrophobicContact CB-CB 4.47Å; H273-D276 PolarHBondContact O-N 2.84Å
274F69.8Low72.5Confident74 Ų7460.9 Ų60.933%0.32531%0.314SS..G310 helixtrans-50.5-36.8-178.9-176.1-97.4000112.6K261 H263 M279 L282K261-F274 HydrophobicContact CB-CB 4.42Å; K261-F274 PolarHBondContact O-N 2.79Å; H263-F274 AromaticContact NE2-CD2 3.78Å; F274-M279 HydrophobicContact CE1-CE 4.36Å; F274-M279 HydrophobicContact CZ-CE 4.4Å; F274-L282 HydrophobicContact CD2-CD1 4.26Å; F274-L282 HydrophobicContact CD2-CD2 4.25Å; F274-L282 HydrophobicContact CE2-CD1 4.17Å; F274-L282 HydrophobicContact CE2-CD2 3.37Å; F274-L282 HydrophobicContact CE2-CG 4.42Å; F274-L282 HydrophobicContact CZ-CD2 3.62Å
275R67.2Low71.3Confident102 Ų10265 Ų6539%0.38533%0.333SS..G310 helixtrans-78.6-19.1-177.8-55.3-168.8-173.2-166.814.2113.7D42 Y44 H273 I277D42-R275 VanDerWaalsContact O-CZ 3.24Å; D42-R275 PolarHBondContact O-NH1 3.05Å; D42-R275 PolarHBondContact O-NH2 2.78Å; D42-R275 VanDerWaalsContact O-NH2 3.11Å; Y44-R275 HydrophobicContact CD1-CB 3.44Å; Y44-R275 VanDerWaalsContact CD1-CB 3.44Å; Y44-R275 WeakPolarHBondContact CD1-O 3.43Å; Y44-R275 HydrophobicContact CE1-CB 3.76Å; Y44-R275 WeakPolarHBondContact CE1-O 3.35Å; Y44-R275 HydrophobicContact CG-CB 4.39Å; H273-R275 PolarHBondContact O-N 3.26Å; R275-I277 VanDerWaalsContact C-N 3.28Å
276D62.2Low70.5Confident27 Ų2771.7 Ų71.714%0.14437%0.369CS..G310 helixtrans-80.4-13.3177.2-76-37.2000113.1Y45 K221 H273Y45-D276 WeakPolarHBondContact CE2-OD1 3.16Å; Y45-D276 VanDerWaalsContact CZ-OD1 3.23Å; Y45-D276 PolarHBondContact OH-OD1 2.86Å; K221-D276 IonicContact NZ-OD1 3.26Å; K221-D276 PolarHBondContact NZ-OD1 2.89Å; H273-D276 HydrophobicContact CB-CB 4.47Å; H273-D276 PolarHBondContact O-N 2.84Å
277I62.5Low69.9Low8 Ų870.1 Ų70.14%0.04136%0.359CS..SBendtrans-90114.5175-49.3174.1000105.8R272 R275 M279 T281 L282 C287R272-I277 HydrophobicContact CB-CD1 4.1Å; R272-I277 HydrophobicContact CB-CG1 3.96Å; R275-I277 VanDerWaalsContact C-N 3.28Å; I277-M279 PolarHBondContact O-N 3.02Å; I277-T281 HydrophobicContact CG2-CG2 4.04Å; I277-L282 HydrophobicContact CB-CB 4.32Å; I277-L282 HydrophobicContact CB-CD1 3.87Å; I277-L282 HydrophobicContact CD1-CD1 3.56Å; I277-L282 HydrophobicContact CG1-CD1 4.3Å; I277-L282 HydrophobicContact CG2-CB 3.65Å; I277-L282 HydrophobicContact CG2-CD1 3.8Å; I277-L282 HydrophobicContact CG2-CG 4.35Å; I277-C287 HydrophobicContact CD1-CB 4.37Å
278D66.1Low68.9Low94 Ų9468.9 Ų68.950%0.50336%0.359SS..  trans-47.7129.4165.7176.23000108.1E280 T281 L282D278-E280 PolarHBondContact O-N 2.85Å; D278-E280 PolarHBondContact OD1-N 3.06Å; D278-E280 VanDerWaalsContact OD1-N 3.1Å; D278-T281 CarbonylContact O-C 3.54Å; D278-T281 WeakPolarHBondContact O-CA 3.23Å; D278-T281 WeakPolarHBondContact O-CB 3.14Å; D278-T281 PolarHBondContact O-N 2.8Å; D278-L282 PolarHBondContact O-N 3.3Å
279M63Low67.8Low111 Ų11172 Ų7255%0.54738%0.378SS..Hα-helixtrans-51.2-33.9-179.9-89.3-80.2-15600111.5F274 I277 L282 L283F274-M279 HydrophobicContact CE1-CE 4.36Å; F274-M279 HydrophobicContact CZ-CE 4.4Å; I277-M279 PolarHBondContact O-N 3.02Å; M279-L282 PolarHBondContact O-N 3.21Å; M279-L282 HydrophobicContact SD-CD2 4.26Å; M279-L283 VanDerWaalsContact O-CB 3.29Å; M279-L283 WeakPolarHBondContact O-CB 3.15Å; M279-L283 VanDerWaalsContact O-CG 3.26Å; M279-L283 WeakPolarHBondContact O-CG 3.33Å; M279-L283 PolarHBondContact O-N 3.45Å
280E60.6Low66.3Low155 Ų15569.7 Ų69.772%0.72436%0.363SS*.Hα-helixtrans-66.9-40.5174.6-68.9-167.617400112.4D278 L282 G284D278-E280 PolarHBondContact O-N 2.85Å; D278-E280 PolarHBondContact OD1-N 3.06Å; D278-E280 VanDerWaalsContact OD1-N 3.1Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-G284 WeakPolarHBondContact O-CA 3.32Å; E280-G284 PolarHBondContact O-N 2.87Å
281T62.5Low65.1Low37 Ų3774.4 Ų74.423%0.22738%0.381CS..Hα-helixtrans-67.6-37.4173.7-58.40000111.2F268 I277 D278 K285F268-T281 HydrophobicContact CE2-CG2 3.87Å; F268-T281 HydrophobicContact CZ-CG2 3.94Å; I277-T281 HydrophobicContact CG2-CG2 4.04Å; D278-T281 CarbonylContact O-C 3.54Å; D278-T281 WeakPolarHBondContact O-CA 3.23Å; D278-T281 WeakPolarHBondContact O-CB 3.14Å; D278-T281 PolarHBondContact O-N 2.8Å; T281-K285 HydrophobicContact CG2-CD 4.32Å; T281-K285 WeakPolarHBondContact O-CB 3.02Å; T281-K285 PolarHBondContact O-N 2.76Å
282L64.1Low63.8Low10 Ų1080.7 Ų80.75%0.05241%0.414CS..Hα-helixtrans-65.5-48178.7-167.690.5000110.9F274 I277 D278 M279 E280 A288F274-L282 HydrophobicContact CD2-CD1 4.26Å; F274-L282 HydrophobicContact CD2-CD2 4.25Å; F274-L282 HydrophobicContact CE2-CD1 4.17Å; F274-L282 HydrophobicContact CE2-CD2 3.37Å; F274-L282 HydrophobicContact CE2-CG 4.42Å; F274-L282 HydrophobicContact CZ-CD2 3.62Å; I277-L282 HydrophobicContact CB-CB 4.32Å; I277-L282 HydrophobicContact CB-CD1 3.87Å; I277-L282 HydrophobicContact CD1-CD1 3.56Å; I277-L282 HydrophobicContact CG1-CD1 4.3Å; I277-L282 HydrophobicContact CG2-CB 3.65Å; I277-L282 HydrophobicContact CG2-CD1 3.8Å; I277-L282 HydrophobicContact CG2-CG 4.35Å; D278-L282 PolarHBondContact O-N 3.3Å; M279-L282 PolarHBondContact O-N 3.21Å; M279-L282 HydrophobicContact SD-CD2 4.26Å; E280-L282 VanDerWaalsContact C-N 3.34Å; L282-A288 HydrophobicContact CD2-CB 4.37Å; L282-A288 HydrophobicContact CG-CB 4Å; L282-A288 WeakPolarHBondContact O-CB 3.49Å
283L65.4Low62.9Low138 Ų13879.9 Ų79.972%0.72343%0.429SS*.Hα-helixtrans-79-30.3-176.8-69169.5000112.8M279M279-L283 VanDerWaalsContact O-CB 3.29Å; M279-L283 WeakPolarHBondContact O-CB 3.15Å; M279-L283 VanDerWaalsContact O-CG 3.26Å; M279-L283 WeakPolarHBondContact O-CG 3.33Å; M279-L283 PolarHBondContact O-N 3.45Å
284G64Low62.4Low61 Ų6183.3 Ų83.363%0.62945%0.448SS*.Hα-helixtrans-91-17.9-174.900000115.5E280E280-G284 WeakPolarHBondContact O-CA 3.32Å; E280-G284 PolarHBondContact O-N 2.87Å
285K60.6Low62.6Low109 Ų10981.4 Ų81.447%0.47444%0.443SS..SBendtrans-130.641.8-167.5-64.9-164.1179.71760114.8I267 T281 C287I267-K285 HydrophobicContact CD1-CB 3.95Å; I267-K285 WeakPolarHBondContact CD1-O 3.3Å; T281-K285 HydrophobicContact CG2-CD 4.32Å; T281-K285 WeakPolarHBondContact O-CB 3.02Å; T281-K285 PolarHBondContact O-N 2.76Å; K285-C287 PolarHBondContact O-N 3.46Å
286D65.4Low62.4Low141 Ų14180.5 Ų80.575%0.75445%0.452SS*.SBendtrans51.27.3173-64.9-32.3000117.2I267 A288I267-D286 HydrophobicContact CD1-CB 4.4Å; D286-A288 PolarHBondContact O-N 2.84Å
287C68.7Low62.1Low3 Ų383.4 Ų83.42%0.0248%0.475CS..THydrogen-bonded Turntrans-70.9-16.2177.3-64.40000111.7C265 I277 K285 I289C265-C287 HydrophobicContact CB-CB 3.75Å; C265-C287 WeakPolarHBondContact CB-SG 3.46Å; C265-C287 WeakPolarHBondContact SG-CB 3.04Å; C265-C287 CovalentContact SG-SG 2.04Å; C265-C287 PolarHBondContact SG-SG 3.2Å; I277-C287 HydrophobicContact CD1-CB 4.37Å; K285-C287 PolarHBondContact O-N 3.46Å; C287-I289 PolarHBondContact O-N 2.88Å
288A59.7Low61.7Low47 Ų4786.8 Ų86.839%0.38850%0.499SS..THydrogen-bonded Turntrans-80.2-12.7-167.600000115.8L282 D286L282-A288 HydrophobicContact CD2-CB 4.37Å; L282-A288 HydrophobicContact CG-CB 4Å; L282-A288 WeakPolarHBondContact O-CB 3.49Å; D286-A288 PolarHBondContact O-N 2.84Å
289I56.8Low61.1Low134 Ų13488.4 Ų88.469%0.68751%0.513SS*.  trans-144.975.1-164.2-41.9177.2000111.8C287C287-I289 PolarHBondContact O-N 2.88Å
290Q55.2Low60.7Low66 Ų6690.4 Ų90.431%0.30853%0.526SS..  trans-111104.2145.9-79.8-174.8-10.500108I294Q290-I294 HydrophobicContact CG-CB 4.46Å; Q290-I294 PolarHBondContact NE2-O 2.82Å; Q290-I294 PolarHBondContact OE1-O 3.1Å; Q290-I294 VanDerWaalsContact OE1-O 3.08Å
291Q55.7Low60.3Low151 Ų15194.3 Ų94.371%0.70653%0.534SS*.  trans-54.2140.7165-71-180-10.100108.4G293 I294Q291-G293 PolarHBondContact O-N 3.36Å; Q291-I294 PolarHBondContact O-N 2.8Å
292I56.4Low59.7Low134 Ų13499.9 Ų99.969%0.68756%0.559SS**THydrogen-bonded Turntrans-41.5104.4174.2-60.8163.9000108.6Y256Y256-I292 HydrophobicContact CD1-CD1 4.01Å; Y256-I292 HydrophobicContact CE1-CD1 4.07Å
293G59.5Low58.8Low61 Ų61104.9 Ų104.963%0.62959%0.589SS**THydrogen-bonded Turntrans133.7-5.3178.900000117.9Q291Q291-G293 PolarHBondContact O-N 3.36Å
294I65.5Low57.8Low87 Ų87107.1 Ų107.145%0.44660%0.596SS.*  trans-113.653.5-177.9-38.3176000112.3Q290 Q291 S296Q290-I294 HydrophobicContact CG-CB 4.46Å; Q290-I294 PolarHBondContact NE2-O 2.82Å; Q290-I294 PolarHBondContact OE1-O 3.1Å; Q290-I294 VanDerWaalsContact OE1-O 3.08Å; Q291-I294 PolarHBondContact O-N 2.8Å; I294-S296 PolarHBondContact O-N 3.07Å
295C73.7Confident56.9Low34 Ų34111.5 Ų111.523%0.2360%0.6CS.*  trans-78.96.2159.9-64.70000112.3C249 E250 S297C249-C295 HydrophobicContact CB-CB 3.63Å; C249-C295 WeakPolarHBondContact CB-SG 3.13Å; C249-C295 PolarHBondContact O-SG 2.85Å; C249-C295 VanDerWaalsContact O-SG 3.35Å; C249-C295 WeakPolarHBondContact SG-CA 3.14Å; C249-C295 WeakPolarHBondContact SG-CB 3.18Å; C249-C295 CovalentContact SG-SG 2.05Å; C249-C295 PolarHBondContact SG-SG 3.09Å; E250-C295 HydrophobicContact CG-CB 4.14Å; E250-C295 PolarHBondContact N-SG 2.94Å; E250-C295 WeakPolarHBondContact OE1-CB 3.37Å; C295-S297 PolarHBondContact O-N 3.34Å
296S62Low56.1Low83 Ų83113.5 Ų113.558%0.5861%0.614SS**SBendtrans-75.9101.3-174.2-34.80000112.3I294 S298I294-S296 PolarHBondContact O-N 3.07Å; S296-S298 PolarHBondContact O-N 3.24Å
297S56.6Low55Low88 Ų88112 Ų11262%0.61562%0.615SS**  trans55.645.2149.274.40000119.3C295 T299C295-S297 PolarHBondContact O-N 3.34Å; S297-T299 PolarHBondContact O-N 3.1Å
298S53.5Low53.9Low79 Ų79117.8 Ų117.855%0.55265%0.651SS**G310 helixtrans-721.2164.374.20000113.5S296 D300S296-S298 PolarHBondContact O-N 3.24Å; S298-D300 PolarHBondContact O-N 2.68Å
299T53.5Low53.3Low128 Ų128124.1 Ų124.179%0.78567%0.672SS**G310 helixtrans-66.4-12.11791.90000114.5S297S297-T299 PolarHBondContact O-N 3.1Å
300D54.4Low52.6Low153 Ų153126 Ų12682%0.81868%0.678SS**G310 helixtrans-100.91.4-175.4-93.3-16.2000115.7S298S298-D300 PolarHBondContact O-N 2.68Å
301R53.4Low52.2Low237 Ų237128 Ų12889%0.89470%0.697SS**SBendtrans-135.111.6-174.9-86.1-169.4-179.1176.61118.4
302M49.2Very low51.7Low154 Ų154127.2 Ų127.276%0.75970%0.702SS**SBendtrans-114.221.6176.1-103.2-179.6172.800115.1
303V45.9Very low51.5Low114 Ų114126.8 Ų126.869%0.69171%0.706SS**  trans-112.866.2163.7-170.20000108.7H305V303-H305 WeakPolarHBondContact CG1-CD2 3.38Å
304E43.3Very low50.8Low186 Ų186133.2 Ų133.287%0.86972%0.716SS**  trans-90.892148.3-158167.2-151.600105I306E304-I306 PolarHBondContact O-N 3.07Å
305H46.2Very low49.6Very low153 Ų153138 Ų13871%0.70874%0.737SS**  trans-47.3113.3167.4-91.3-82.1000108V303 S307V303-H305 WeakPolarHBondContact CG1-CD2 3.38Å; H305-S307 PolarHBondContact O-N 3.27Å
306I44.3Very low48.6Very low150 Ų150141.8 Ų141.877%0.76976%0.763SS**  trans-58.7101.8149.1-67.7169.4000104.2E304 T308E304-I306 PolarHBondContact O-N 3.07Å; I306-T308 PolarHBondContact O-N 3Å
307S41.5Very low47.5Very low111 Ų111144.7 Ų144.778%0.77677%0.772SS**  trans-60.191.3164.8-80.30000107.2H305 E309H305-S307 PolarHBondContact O-N 3.27Å; S307-E309 PolarHBondContact O-N 2.88Å; S307-E309 VanDerWaalsContact O-N 3.17Å
308T44.6Very low47.1Very low124 Ų124149.3 Ų149.376%0.76178%0.784SS**  trans-68.6107.1162.6-540000106.4I306 E310I306-T308 PolarHBondContact O-N 3Å; T308-E310 PolarHBondContact O-N 2.9Å
309E48.7Very low46.1Very low179 Ų179151.6 Ų151.684%0.83680%0.795SS**  trans-47.9123.6168.2-67.9179.7156.600109.7S307 P311S307-E309 PolarHBondContact O-N 2.88Å; S307-E309 VanDerWaalsContact O-N 3.17Å; E309-P311 VanDerWaalsContact O-CD 3.22Å; E309-P311 WeakPolarHBondContact O-CD 3.34Å
310E40.7Very low45.6Very low175 Ų175151.9 Ų151.982%0.81879%0.79SS**  trans-61.5110.4176.4-170178.5-160.400109.7T308 T312T308-E310 PolarHBondContact O-N 2.9Å; E310-T312 PolarHBondContact O-N 3.49Å
311P48.4Very low44.7Very low108 Ų108151.1 Ų151.170%0.70179%0.786SS**  trans-80.5107.8169.931-24000107.1E309 V313E309-P311 VanDerWaalsContact O-CD 3.22Å; E309-P311 WeakPolarHBondContact O-CD 3.34Å; P311-V313 VanDerWaalsContact C-N 3.33Å; P311-V313 HydrophobicContact CB-CG2 4.39Å; P311-V313 PolarHBondContact O-N 3.19Å
312T43.6Very low43.9Very low134 Ų134148.6 Ų148.682%0.82278%0.782SS**  trans-6192.3169.9-29.80000108.9E310E310-T312 PolarHBondContact O-N 3.49Å
313V53.1Low43.4Very low125 Ų125147.4 Ų147.476%0.75878%0.777SS**  trans-112.2115.4172.3-177.60000108.8P311P311-V313 VanDerWaalsContact C-N 3.33Å; P311-V313 HydrophobicContact CB-CG2 4.39Å; P311-V313 PolarHBondContact O-N 3.19Å
314K44.7Very low42.6Very low195 Ų195148 Ų14885%0.84878%0.781SS**  trans-58.3130.5179.5-69.4173.8174.31770110.9S316K314-S316 PolarHBondContact O-N 2.81Å
315H39.5Very low42.3Very low189 Ų189147 Ų14788%0.87578%0.781SS**  trans-58128.8161.9-86.7-77.9000110.7
316S53.5Low41.6Very low112 Ų112145.4 Ų145.478%0.78378%0.782SS**  trans-126121150.860.50000107.8K314K314-S316 PolarHBondContact O-N 2.81Å
317D39Very low41.7Very low145 Ų145143.8 Ų143.878%0.77578%0.784SS**  trans-57.5130176.8-59.4-55000111.4
318E48Very low41.3Very low185 Ų185145.5 Ų145.586%0.86479%0.785SS**  trans-152.7110.2151.8-118170.9-162.100111.6
319T32.8Very low41.1Very low127 Ų127148.3 Ų148.378%0.77979%0.791SS**  trans-70119.8177.2-43.50000110.5
320I42.6Very low40.8Very low133 Ų133145.3 Ų145.368%0.68279%0.785SS**  trans-135.4113.5165.1-57.8-177.9000110.6F322I320-F322 HydrophobicContact CG2-CD2 3.87Å; I320-F322 HydrophobicContact CG2-CE2 3.83Å
321N35.2Very low40.5Very low137 Ų137143.6 Ų143.673%0.73379%0.787SS**  trans-70135170.3-68.3-41.4000111.3
322F37.1Very low40.6Very low184 Ų184144.7 Ų144.781%0.80779%0.791SS**  trans-143.196.1156.9-93.7-83.6000108I320I320-F322 HydrophobicContact CG2-CD2 3.87Å; I320-F322 HydrophobicContact CG2-CE2 3.83Å
323I38.5Very low40.3Very low130 Ų130146.7 Ų146.767%0.66779%0.791SS**  68.997.888.7-60.8171.1000112.4
324T29.1Very low39.9Very low125 Ų125146.1 Ų146.177%0.76779%0.793SS**  trans-60.9130.8162.9-38.40000110.7
325L37.8Very low39.5Very low165 Ų165143.6 Ų143.686%0.86479%0.788SS**  trans-120.394.4166.6-92.6159.8000109.4
326T31.8Very low39.7Very low120 Ų120141.2 Ų141.274%0.73679%0.788SS**  trans-78128.2157.734.60000108.9
327S44.7Very low39Very low117 Ų117141.4 Ų141.482%0.81878%0.784SS**  trans-114.3104.4168.4176.70000108.4
328D33.5Very low39.3Very low146 Ų146143.7 Ų143.778%0.78179%0.79SS**  trans-59.8144.1156.5-69.6-42.5000109.4
329M41.7Very low39Very low183 Ų183141 Ų14190%0.90178%0.782SS**  177.8136.5126.3-96.8-141.8168.100114.3
330V40.6Very low39.2Very low117 Ų117141.3 Ų141.371%0.70978%0.777SS**  trans88.188.9154.6-156.60000118.8V332V330-V332 HydrophobicContact CG1-CG2 3.95Å
331T34.6Very low39Very low139 Ų139141.4 Ų141.485%0.85378%0.784SS**  trans-64.3127.1148.6-8.80000110.6
332V50.4Low38.9Very low130 Ų130140.6 Ų140.679%0.78878%0.784SS**  trans-130.7119.5156175.30000107.9V330V330-V332 HydrophobicContact CG1-CG2 3.95Å
333E37.4Very low39Very low176 Ų176137.3 Ų137.382%0.82278%0.784SS**  trans-63.7140.2171.9-66.7168144.400111.3
334S45.8Very low38.8Very low113 Ų113139.5 Ų139.579%0.7979%0.792SS**  trans-153.6114.2134.278.30000110.5
335D35.5Very low39.2Very low142 Ų142139.3 Ų139.376%0.75979%0.79SS**  trans-55.6138.8166-70.3-48.3000111.9
336T45.2Very low39.1Very low140 Ų140138.8 Ų138.886%0.85979%0.787SS**  trans-160.9100.2133.25.30000110.4
337T38.2Very low39.7Very low116 Ų116139.6 Ų139.671%0.71279%0.786SS**  trans-58.7132162.6-38.20000110.3
338E45.2Very low39.4Very low193 Ų193140.5 Ų140.590%0.90278%0.781SS**  trans-161.6101.6140.1-111.2174.2-154.900113
339N40.8Very low39.9Very low129 Ų129139.2 Ų139.269%0.6978%0.779SS**  trans15.4125.9143.9-82.7-15000123.3
340I38.1Very low39.9Very low132 Ų132137.2 Ų137.268%0.67777%0.772SS**  54.9114116.9-52.4166.8000117.2
341T37Very low40.1Very low135 Ų135139.8 Ų139.883%0.82878%0.776SS**  -169.1121.61051.30000112.6
342T33.5Very low40.6Very low121 Ų121141.4 Ų141.474%0.74278%0.779SS**  trans-75.4131.6166.3-41.20000109.1Q344T342-Q344 HydrophobicContact CG2-CG 4.43Å
343S39Very low40.4Very low114 Ų114141.6 Ų141.680%0.79778%0.775SS**  trans-129.4102.8160.3-920000108.9
344Q35.2Very low40.8Very low177 Ų177141.9 Ų141.983%0.82777%0.774SS**  trans-78.3124.4161.3-69.1178.1-27.300107.4T342T342-Q344 HydrophobicContact CG2-CG 4.43Å
345V36.7Very low40.9Very low121 Ų121142.2 Ų142.273%0.73377%0.771SS**  trans-117.7102163.91750000106.8I347V345-I347 HydrophobicContact CG1-CD1 4.12Å; V345-I347 HydrophobicContact CG1-CG1 3.95Å
346L36.8Very low41.7Very low153 Ų153141.9 Ų141.980%0.80177%0.769SS**  trans-84.6122.6167.4-146.495.2000106.7
347I44.9Very low41.8Very low138 Ų138143.8 Ų143.871%0.70877%0.768SS**  trans-123105164.3-62.3175.9000107V345V345-I347 HydrophobicContact CG1-CD1 4.12Å; V345-I347 HydrophobicContact CG1-CG1 3.95Å
348N36.6Very low42.2Very low135 Ų135143.6 Ų143.672%0.72277%0.769SS**  trans-92.8138.4158.6-94.3-3.4000108.2
349T44.4Very low42.3Very low120 Ų120140 Ų14074%0.73677%0.766SS**  trans-16391.9157.1-8.70000104.8
350D42.6Very low42.6Very low140 Ų140137.7 Ų137.775%0.74976%0.764SS**  72.9118.389.5-80.2-19.1000114.9
351E45Very low43Very low171 Ų171138.3 Ų138.380%0.79977%0.769SS**  trans69.2110.3141.9-63.4-168.8144.300121.1
352L43.7Very low43.3Very low174 Ų174138.4 Ų138.491%0.91176%0.764SS**  -143.9122.4125.9-140.584.6000112.8
353N45.9Very low44.1Very low133 Ų133141.1 Ų141.171%0.71177%0.768SS**  trans-26.4132.8172.9-75.6-45.4000118.3
354K46.8Very low44.2Very low183 Ų183144 Ų14480%0.79677%0.769SS**  62.3122.875.3-93.4-175.3179.7173.80115.1
355T47.5Very low44.6Very low120 Ų120141.7 Ų141.774%0.73677%0.767SS**  174.8104128-63.60000109.1
356N53.1Low44.7Very low134 Ų134141.7 Ų141.772%0.71777%0.768SS**  63.9140.7111.8-51.6-8.9000115.5
357E46.3Very low44.9Very low180 Ų180141.8 Ų141.884%0.84176%0.764SS**  cis-171.9173.14.7-115.8-171.1154.500108.3
358P48.1Very low44.8Very low113 Ų113142.3 Ų142.373%0.73477%0.765SS**  trans-115.3-165.9-156.744.4-37.6000116.7
359S45.8Very low44.8Very low118 Ų118143.7 Ų143.783%0.82577%0.771SS**  trans100143165.596.90000115.1
360A47Very low44.7Very low79 Ų79144.4 Ų144.465%0.65378%0.775SS**  cis-163.2161.73.600000110
361N47.6Very low44.7Very low145 Ų145147.8 Ų147.878%0.77578%0.783SS**  trans81110.8149.1-61.5-6.2000121.9
362D43.8Very low44.5Very low137 Ų137145.4 Ų145.473%0.73378%0.78SS**  39.8111.8121.8-61.9-17.8000119.7
363H48.4Very low44.5Very low179 Ų179143 Ų14383%0.82977%0.773SS**  -177.7129.799-106-52.3000112.2
364Q42.9Very low44.5Very low174 Ų174144.9 Ų144.981%0.81378%0.777SS**  trans-30.7132.9153.3-159.5174.732.200113.7
365T42.1Very low44.5Very low129 Ų129143.5 Ų143.579%0.79178%0.778SS**  -177.3122.1129.2-59.20000110.7
366T40.2Very low44.8Very low121 Ų121145 Ų14574%0.74278%0.78SS**  trans-47.8134.1165.6-46.80000113
367H40.5Very low44.7Very low155 Ų155143.3 Ų143.372%0.71878%0.777SS**  trans-174.8122.5139.5-102.2-73.4000113.5
368M42.5Very low45Very low148 Ų148141.2 Ų141.273%0.72978%0.776SS**  trans41.8106.8143.8-61.9-162.5-146.200121.5
369I37.6Very low45.3Very low165 Ų165140.3 Ų140.385%0.84677%0.769SS**  20.9107.4118.5-53171.2000116
370T41.7Very low45.7Very low135 Ų135139 Ų13983%0.82876%0.759SS**  trans-158.493.2141.3-5.70000107.6
371K41.6Very low46.1Very low210 Ų210143.1 Ų143.191%0.91376%0.762SS**  trans-89.1112171.9-158.8175.4-175.9-178.90107.9
372V41.7Very low46.5Very low122 Ų122142.4 Ų142.474%0.73975%0.754SS**  trans-56.7133.8176.8171.80000110.4E374V372-E374 PolarHBondContact O-N 2.82Å
373T43.2Very low47Very low123 Ų123142.6 Ų142.676%0.75575%0.754SS**  trans-65.5111.2171.4-38.10000109.2
374E46.9Very low47.4Very low173 Ų173139.1 Ų139.181%0.80874%0.741SS**  trans-100.5112.9163.8-82.3-177.4160.900108.4V372 I376V372-E374 PolarHBondContact O-N 2.82Å; E374-I376 PolarHBondContact O-N 2.8Å; E374-I376 VanDerWaalsContact O-N 3.09Å
375D46.9Very low48.2Very low153 Ų153135 Ų13582%0.81872%0.724SS**  trans-63.2102.9171.1-71.8-42.3000109.6
376I52.6Low49.2Very low152 Ų152132.1 Ų132.178%0.77971%0.709SS**  trans-76.3121.2171.4-60.4173.7000107.7E374 V378E374-I376 PolarHBondContact O-N 2.8Å; E374-I376 VanDerWaalsContact O-N 3.09Å; I376-V378 PolarHBondContact O-N 2.84Å
377P51.4Low50.2Low98 Ų98134.7 Ų134.764%0.63671%0.706SS**  trans-65.2124.3179.126.4-32.1000109.3T379P377-T379 VanDerWaalsContact C-N 3.33Å; P377-T379 PolarHBondContact O-N 2.95Å
378V53Low51.3Low136 Ų136133.3 Ų133.382%0.82470%0.699SS**  trans-58.398.5170.8178.90000107.6I376I376-V378 PolarHBondContact O-N 2.84Å
379T53.9Low52.2Low95 Ų95130.4 Ų130.458%0.58369%0.686SS**  trans-70.1142.2-178.3410000109.9P377 K381 H382P377-T379 VanDerWaalsContact C-N 3.33Å; P377-T379 PolarHBondContact O-N 2.95Å; T379-K381 PolarHBondContact O-N 3.2Å; T379-H382 PolarHBondContact O-N 3.38Å
380S55Low53.2Low90 Ų90128.6 Ų128.663%0.62968%0.677SS**THydrogen-bonded Turntrans-48.1-8-175.952.20000117.4H382 L383S380-H382 PolarHBondContact O-N 3.37Å; S380-L383 PolarHBondContact O-N 2.95Å
381K54.1Low54.2Low166 Ų166127.3 Ų127.372%0.72266%0.662SS**Hα-helixtrans-66.7-32.6178.2-68.9-173.1175.2-174.90113.1T379 L383 L384 L385T379-K381 PolarHBondContact O-N 3.2Å; K381-L383 VanDerWaalsContact C-N 3.3Å; K381-L383 PolarHBondContact O-N 2.75Å; K381-L384 PolarHBondContact O-N 3.07Å; K381-L385 PolarHBondContact O-N 3.48Å
382H56.1Low54.9Low129 Ų129123.7 Ų123.760%0.59765%0.65SS**Hα-helixtrans-68.8-28.5178.8-119.3-72.2000113.2T379 S380 S386T379-H382 PolarHBondContact O-N 3.38Å; S380-H382 PolarHBondContact O-N 3.37Å; H382-S386 PolarHBondContact O-N 3.46Å
383L55Low55.6Low141 Ų141124.8 Ų124.874%0.73864%0.642SS**Hα-helixtrans-77.7-31177.7-100.9158.5000112.7S380 K381S380-L383 PolarHBondContact O-N 2.95Å; K381-L383 VanDerWaalsContact C-N 3.3Å; K381-L383 PolarHBondContact O-N 2.75Å
384L56.6Low56.3Low107 Ų107121.5 Ų121.556%0.5662%0.624SS**Hα-helixtrans-70.6-43.3175.7-72.6170.9000111.4K381 S386 R387 E388K381-L384 PolarHBondContact O-N 3.07Å; L384-S386 VanDerWaalsContact C-N 3.35Å; L384-S386 PolarHBondContact O-N 2.88Å; L384-R387 WeakPolarHBondContact O-CB 3.5Å; L384-R387 PolarHBondContact O-N 2.78Å; L384-E388 PolarHBondContact O-N 2.78Å
385L58.8Low57Low87 Ų87116.8 Ų116.846%0.45560%0.603SS.*Hα-helixtrans-63.4-39.3-179.6-146.391.6000112.5K381 R387 E388 I389K381-L385 PolarHBondContact O-N 3.48Å; L385-R387 PolarHBondContact O-N 2.03Å; L385-E388 PolarHBondContact O-N 2.83Å; L385-I389 HydrophobicContact CD2-CD1 4.36Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.12Å
386S63.2Low57.7Low68 Ų68113.8 Ų113.848%0.47659%0.591SS.*Hα-helixtrans-61.9-31.11751720000112.6H382 L384 L390H382-S386 PolarHBondContact O-N 3.46Å; L384-S386 VanDerWaalsContact C-N 3.35Å; L384-S386 PolarHBondContact O-N 2.88Å; S386-L390 PolarHBondContact O-N 2.84Å
387R61.4Low58.1Low175 Ų175113.4 Ų113.466%0.6658%0.584SS**Hα-helixtrans-77.5-40.5-177.1-164.7176.5-176.4172.9-0.1111.6L384 L385 L390 Q391L384-R387 WeakPolarHBondContact O-CB 3.5Å; L384-R387 PolarHBondContact O-N 2.78Å; L385-R387 PolarHBondContact O-N 2.03Å; R387-L390 PolarHBondContact O-N 3.46Å; R387-Q391 WeakPolarHBondContact O-CG 3.4Å; R387-Q391 PolarHBondContact O-N 3.32Å; R387-Q391 VanDerWaalsContact O-N 3.1Å
388E64.1Low58.9Low126 Ų126113.3 Ų113.359%0.58958%0.577SS**Hα-helixtrans-67.6-40.2177.7-69.8-177.2173.200112.1L384 L385 L390 Q391 M392L384-E388 PolarHBondContact O-N 2.78Å; L385-E388 PolarHBondContact O-N 2.83Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.76Å; E388-Q391 PolarHBondContact O-N 3.45Å; E388-Q391 VanDerWaalsContact O-N 3.14Å; E388-M392 PolarHBondContact O-N 3.32Å
389I61.6Low59.8Low87 Ų87109.7 Ų109.745%0.44655%0.553SS.*Hα-helixtrans-62.2-43.1175.9-65.4168.1000110.5L385 Q391 M392 Y393L385-I389 HydrophobicContact CD2-CD1 4.36Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.12Å; I389-Q391 VanDerWaalsContact C-N 3.28Å; I389-Q391 PolarHBondContact O-N 2.83Å; I389-M392 PolarHBondContact O-N 3.12Å; I389-Y393 HydrophobicContact CG2-CD2 3.85Å; I389-Y393 HydrophobicContact CG2-CE2 3.94Å; I389-Y393 WeakPolarHBondContact O-CD2 3.38Å; I389-Y393 PolarHBondContact O-N 2.87Å; I389-Y393 VanDerWaalsContact O-N 3.11Å
390L58.2Low60.7Low127 Ų127108.7 Ų108.767%0.66554%0.544SS*.Hα-helixtrans-62.6-36.4176.1-120.4100.7000112.1S386 R387 E388 S394S386-L390 PolarHBondContact O-N 2.84Å; R387-L390 PolarHBondContact O-N 3.46Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.76Å; L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 3.4Å
391Q61.9Low61.8Low108 Ų108107.6 Ų107.651%0.50553%0.533SS..Hα-helixtrans-67.5-43.8176.8-76.9-178-3800111.9R387 E388 I389 Y393 S394 I395R387-Q391 WeakPolarHBondContact O-CG 3.4Å; R387-Q391 PolarHBondContact O-N 3.32Å; R387-Q391 VanDerWaalsContact O-N 3.1Å; E388-Q391 PolarHBondContact O-N 3.45Å; E388-Q391 VanDerWaalsContact O-N 3.14Å; I389-Q391 VanDerWaalsContact C-N 3.28Å; I389-Q391 PolarHBondContact O-N 2.83Å; Q391-Y393 PolarHBondContact O-N 2.96Å; Q391-S394 PolarHBondContact O-N 3.15Å; Q391-S394 PolarHBondContact O-OG 2.87Å; Q391-I395 WeakPolarHBondContact O-CG1 3.15Å; Q391-I395 PolarHBondContact O-N 2.72Å
392M56.9Low62.9Low135 Ų135102.5 Ų102.567%0.66552%0.518SS*.Hα-helixtrans-62.4-42.5177.5-118.7-157.6-155.400112.7E388 I389 S394 I395 T396E388-M392 PolarHBondContact O-N 3.32Å; I389-M392 PolarHBondContact O-N 3.12Å; M392-S394 VanDerWaalsContact C-N 3.33Å; M392-I395 PolarHBondContact O-N 3.27Å; M392-T396 PolarHBondContact O-N 3.47Å; M392-T396 PolarHBondContact O-OG1 2.81Å
393Y57.7Low63.9Low145 Ų14599.7 Ų99.757%0.56951%0.507SS*.Hα-helixtrans-66.2-36.2175.2-87.6-81.2000111.9I389 Q391 T396 F397I389-Y393 HydrophobicContact CG2-CD2 3.85Å; I389-Y393 HydrophobicContact CG2-CE2 3.94Å; I389-Y393 WeakPolarHBondContact O-CD2 3.38Å; I389-Y393 PolarHBondContact O-N 2.87Å; I389-Y393 VanDerWaalsContact O-N 3.11Å; Q391-Y393 PolarHBondContact O-N 2.96Å; Y393-T396 PolarHBondContact O-OG1 3.1Å; Y393-F397 WeakPolarHBondContact O-CB 3.31Å; Y393-F397 PolarHBondContact O-N 3.34Å
394S57.1Low65.1Low53 Ų5399.9 Ų99.937%0.37150%0.498SS..Hα-helixtrans-65-41.7176.776.60000112.2L390 Q391 M392 I398L390-S394 WeakPolarHBondContact O-CB 3.41Å; L390-S394 PolarHBondContact O-N 3.4Å; Q391-S394 PolarHBondContact O-N 3.15Å; Q391-S394 PolarHBondContact O-OG 2.87Å; M392-S394 VanDerWaalsContact C-N 3.33Å; S394-I398 VanDerWaalsContact O-CB 3.24Å; S394-I398 WeakPolarHBondContact O-CB 3.33Å; S394-I398 VanDerWaalsContact O-CD1 3.28Å; S394-I398 WeakPolarHBondContact O-CD1 3.47Å; S394-I398 WeakPolarHBondContact O-CG1 3.09Å; S394-I398 PolarHBondContact O-N 3.49Å
395I61.6Low66.4Low75 Ų7599.7 Ų99.739%0.38550%0.497SS..Hα-helixtrans-69.2-43.1-177.6-65.4165000111.2Q391 M392 I398 N399Q391-I395 WeakPolarHBondContact O-CG1 3.15Å; Q391-I395 PolarHBondContact O-N 2.72Å; M392-I395 PolarHBondContact O-N 3.27Å; I395-I398 PolarHBondContact O-N 2.69Å; I395-N399 WeakPolarHBondContact O-CB 3.18Å; I395-N399 PolarHBondContact O-N 2.04Å
396T61.3Low67.6Low89 Ų8998.7 Ų98.755%0.54650%0.496SS..Hα-helixtrans-67.5-41.3178.347.80000112M392 Y393 N399 D400M392-T396 PolarHBondContact O-N 3.47Å; M392-T396 PolarHBondContact O-OG1 2.81Å; Y393-T396 PolarHBondContact O-OG1 3.1Å; T396-N399 PolarHBondContact O-N 3.25Å; T396-D400 PolarHBondContact O-N 3.04Å; T396-D400 VanDerWaalsContact O-N 3.14Å
397F61.7Low68.5Low145 Ų145100.1 Ų100.164%0.63650%0.498SS*.Hα-helixtrans-66.6-42176-170.2-98.6000112.2Y393 N399 D400 V401Y393-F397 WeakPolarHBondContact O-CB 3.31Å; Y393-F397 PolarHBondContact O-N 3.34Å; F397-N399 VanDerWaalsContact C-N 3.27Å; F397-N399 PolarHBondContact O-N 3.18Å; F397-D400 PolarHBondContact O-N 2.79Å; F397-V401 HydrophobicContact CD1-CG2 3.97Å; F397-V401 HydrophobicContact CE1-CG2 3.65Å; F397-V401 HydrophobicContact CE2-CG2 4.42Å; F397-V401 HydrophobicContact CG-CG2 4.49Å; F397-V401 HydrophobicContact CZ-CG2 3.9Å; F397-V401 WeakPolarHBondContact O-CB 3.5Å; F397-V401 VanDerWaalsContact O-CG2 3.27Å; F397-V401 WeakPolarHBondContact O-CG2 2.93Å; F397-V401 PolarHBondContact O-N 2.97Å
398I67.4Low69.7Low95 Ų95101 Ų10149%0.48750%0.501SS..Hα-helixtrans-60.4-39.1174.8-71.9164000110.4S394 I395 S402S394-I398 VanDerWaalsContact O-CB 3.24Å; S394-I398 WeakPolarHBondContact O-CB 3.33Å; S394-I398 VanDerWaalsContact O-CD1 3.28Å; S394-I398 WeakPolarHBondContact O-CD1 3.47Å; S394-I398 WeakPolarHBondContact O-CG1 3.09Å; S394-I398 PolarHBondContact O-N 3.49Å; I395-I398 PolarHBondContact O-N 2.69Å; I398-S402 WeakPolarHBondContact O-CB 3.47Å; I398-S402 PolarHBondContact O-N 3.26Å; I398-S402 PolarHBondContact O-OG 2.81Å
399N72.2Confident70.8Confident61 Ų61100 Ų10033%0.32650%0.499SS..Hα-helixtrans-66.7-45.4178.5-79.7-17.9000112.7I395 T396 F397 S402 I403I395-N399 WeakPolarHBondContact O-CB 3.18Å; I395-N399 PolarHBondContact O-N 2.04Å; T396-N399 PolarHBondContact O-N 3.25Å; F397-N399 VanDerWaalsContact C-N 3.27Å; F397-N399 PolarHBondContact O-N 3.18Å; N399-S402 PolarHBondContact O-N 3.44Å; N399-I403 WeakPolarHBondContact O-CB 3.5Å; N399-I403 VanDerWaalsContact O-CG1 3.25Å; N399-I403 WeakPolarHBondContact O-CG1 3.23Å; N399-I403 PolarHBondContact O-N 3.13Å
400D72.9Confident72.1Confident73 Ų7399.7 Ų99.739%0.3950%0.498SS..Hα-helixtrans-67-40.5178.7-167.146.7000111.8T396 F397 I403 R404T396-D400 PolarHBondContact O-N 3.04Å; T396-D400 VanDerWaalsContact O-N 3.14Å; F397-D400 PolarHBondContact O-N 2.79Å; D400-I403 PolarHBondContact O-N 3.32Å; D400-R404 WeakPolarHBondContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CG 3.42Å; D400-R404 PolarHBondContact O-N 2.82Å; D400-R404 IonicContact OD1-NE 3.08Å; D400-R404 IonicContact OD1-NH2 3.29Å; D400-R404 IonicContact OD2-CZ 2.82Å; D400-R404 VanDerWaalsContact OD2-CZ 3.3Å; D400-R404 IonicContact OD2-NE 2.71Å; D400-R404 PolarHBondContact OD2-NE 3.37Å; D400-R404 IonicContact OD2-NH2 3.57Å; D400-R404 PolarHBondContact OD2-NH2 3.36Å
401V77.1Confident73.4Confident67 Ų6798.4 Ų98.441%0.40649%0.49SS..Hα-helixtrans-64.5-42.3175.1174.90000110.9F397 R404 L405F397-V401 HydrophobicContact CD1-CG2 3.97Å; F397-V401 HydrophobicContact CE1-CG2 3.65Å; F397-V401 HydrophobicContact CE2-CG2 4.42Å; F397-V401 HydrophobicContact CG-CG2 4.49Å; F397-V401 HydrophobicContact CZ-CG2 3.9Å; F397-V401 WeakPolarHBondContact O-CB 3.5Å; F397-V401 VanDerWaalsContact O-CG2 3.27Å; F397-V401 WeakPolarHBondContact O-CG2 2.93Å; F397-V401 PolarHBondContact O-N 2.97Å; V401-R404 PolarHBondContact O-N 3.02Å; V401-L405 VanDerWaalsContact O-CB 3.25Å; V401-L405 WeakPolarHBondContact O-CB 3.06Å; V401-L405 PolarHBondContact O-N 2.95Å
402S78.2Confident74.7Confident59 Ų5996.8 Ų96.841%0.41349%0.489SS..Hα-helixtrans-66-41.8178.8-620000111.7I398 N399 L405 C406I398-S402 WeakPolarHBondContact O-CB 3.47Å; I398-S402 PolarHBondContact O-N 3.26Å; I398-S402 PolarHBondContact O-OG 2.81Å; N399-S402 PolarHBondContact O-N 3.44Å; S402-L405 PolarHBondContact O-N 3.26Å; S402-C406 WeakPolarHBondContact O-CB 3.3Å; S402-C406 PolarHBondContact O-N 3.41Å
403I76.4Confident76.2Confident71 Ų7196.7 Ų96.736%0.36449%0.485SS..Hα-helixtrans-63.2-48.1175.8-70.7166.8000110.2N399 D400 L405 C406 I407N399-I403 WeakPolarHBondContact O-CB 3.5Å; N399-I403 VanDerWaalsContact O-CG1 3.25Å; N399-I403 WeakPolarHBondContact O-CG1 3.23Å; N399-I403 PolarHBondContact O-N 3.13Å; D400-I403 PolarHBondContact O-N 3.32Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 2.99Å; I403-C406 PolarHBondContact O-N 2.92Å; I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 VanDerWaalsContact O-CG1 3.31Å; I403-I407 WeakPolarHBondContact O-CG1 3.31Å; I403-I407 PolarHBondContact O-N 3.3Å
404R81.7Confident77.5Confident145 Ų14592.6 Ų92.655%0.54747%0.472SS..Hα-helixtrans-62.5-39.3177.1-71.9-178.5-157.3-133.67112.3D400 V401 R408D400-R404 WeakPolarHBondContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CG 3.42Å; D400-R404 PolarHBondContact O-N 2.82Å; D400-R404 IonicContact OD1-NE 3.08Å; D400-R404 IonicContact OD1-NH2 3.29Å; D400-R404 IonicContact OD2-CZ 2.82Å; D400-R404 VanDerWaalsContact OD2-CZ 3.3Å; D400-R404 IonicContact OD2-NE 2.71Å; D400-R404 PolarHBondContact OD2-NE 3.37Å; D400-R404 IonicContact OD2-NH2 3.57Å; D400-R404 PolarHBondContact OD2-NH2 3.36Å; V401-R404 PolarHBondContact O-N 3.02Å; R404-R408 WeakPolarHBondContact O-CB 3.5Å; R404-R408 VanDerWaalsContact O-CG 3.26Å; R404-R408 WeakPolarHBondContact O-CG 3.34Å; R404-R408 PolarHBondContact O-N 3.27Å
405L83.5Confident79.1Confident103 Ų10394.2 Ų94.254%0.53948%0.476SS..Hα-helixtrans-65.5-44176.2-164.984.2000110.8V401 S402 I403 R408 L409V401-L405 VanDerWaalsContact O-CB 3.25Å; V401-L405 WeakPolarHBondContact O-CB 3.06Å; V401-L405 PolarHBondContact O-N 2.95Å; S402-L405 PolarHBondContact O-N 3.26Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 2.99Å; L405-R408 PolarHBondContact O-N 3.29Å; L405-L409 HydrophobicContact CD2-CD1 4.12Å; L405-L409 HydrophobicContact CG-CD1 3.94Å; L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.42Å
406C82.9Confident80.5Confident65 Ų6596.3 Ų96.344%0.43949%0.487SS..Hα-helixtrans-63.8-44.3178.8-159.30000111.3S402 I403 L409 L410S402-C406 WeakPolarHBondContact O-CB 3.3Å; S402-C406 PolarHBondContact O-N 3.41Å; I403-C406 PolarHBondContact O-N 2.92Å; C406-L409 PolarHBondContact O-N 3.01Å; C406-L410 VanDerWaalsContact O-CB 3.27Å; C406-L410 WeakPolarHBondContact O-CB 3.06Å; C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.4Å; C406-L410 PolarHBondContact O-N 2.05Å
407I82.3Confident81.9Confident98 Ų9896.6 Ų96.650%0.50348%0.484SS..Hα-helixtrans-61.8-45.6174.2-67.5168.7000110.9I403 L409 L410 M411I403-I407 HydrophobicContact CG2-CD1 3.77Å; I403-I407 HydrophobicContact CG2-CG1 4.45Å; I403-I407 VanDerWaalsContact O-CG1 3.31Å; I403-I407 WeakPolarHBondContact O-CG1 3.31Å; I403-I407 PolarHBondContact O-N 3.3Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 3.37Å; I407-L410 PolarHBondContact O-N 3.35Å; I407-M411 HydrophobicContact CG2-CG 4.29Å; I407-M411 VanDerWaalsContact O-CB 3.26Å; I407-M411 WeakPolarHBondContact O-CB 3.33Å; I407-M411 WeakPolarHBondContact O-CG 3.44Å; I407-M411 PolarHBondContact O-N 2.75Å
408R86.8Confident83.3Confident195 Ų19596 Ų9674%0.73648%0.482SS*.Hα-helixtrans-64.9-35.2178.5-77177.8178.8177.60.3112.9R404 L405 P412R404-R408 WeakPolarHBondContact O-CB 3.5Å; R404-R408 VanDerWaalsContact O-CG 3.26Å; R404-R408 WeakPolarHBondContact O-CG 3.34Å; R404-R408 PolarHBondContact O-N 3.27Å; L405-R408 PolarHBondContact O-N 3.29Å; R408-P412 WeakPolarHBondContact O-CD 3.27Å
409L88Confident84.5Confident103 Ų10396.1 Ų96.154%0.53948%0.482SS..Hα-helixtrans-75.8-39.5177-77.2168.1000112L405 C406 I407 P412 F413L405-L409 HydrophobicContact CD2-CD1 4.12Å; L405-L409 HydrophobicContact CG-CD1 3.94Å; L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.42Å; C406-L409 PolarHBondContact O-N 3.01Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 3.37Å; L409-P412 WeakPolarHBondContact O-CD 3.31Å; L409-F413 WeakPolarHBondContact O-CD2 2.95Å; L409-F413 VanDerWaalsContact O-CE2 3.25Å; L409-F413 WeakPolarHBondContact O-CE2 2.98Å
410L87.7Confident85.4Confident81 Ų8196.3 Ų96.342%0.42449%0.488SS..Hα-helixtrans-82.1-31-176.3-70.6174.2000113.7C406 I407 F413 I414C406-L410 VanDerWaalsContact O-CB 3.27Å; C406-L410 WeakPolarHBondContact O-CB 3.06Å; C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.4Å; C406-L410 PolarHBondContact O-N 2.05Å; I407-L410 PolarHBondContact O-N 3.35Å; L410-F413 PolarHBondContact O-N 2.01Å; L410-I414 HydrophobicContact CB-CD1 4.31Å; L410-I414 WeakPolarHBondContact O-CG1 3.33Å; L410-I414 PolarHBondContact O-N 3.47Å
411M87Confident86.2Confident100 Ų10094.6 Ų94.649%0.49348%0.482SS..Hα-helixtrans-51.6-48-178.9-102.6-68.3-158.700113.8I407 F413 I414 I415I407-M411 HydrophobicContact CG2-CG 4.29Å; I407-M411 VanDerWaalsContact O-CB 3.26Å; I407-M411 WeakPolarHBondContact O-CB 3.33Å; I407-M411 WeakPolarHBondContact O-CG 3.44Å; I407-M411 PolarHBondContact O-N 2.75Å; M411-F413 VanDerWaalsContact C-N 3.31Å; M411-F413 PolarHBondContact O-N 3.38Å; M411-I414 PolarHBondContact O-N 3.09Å; M411-I415 WeakPolarHBondContact O-CB 3.04Å; M411-I415 VanDerWaalsContact O-CG1 3.25Å; M411-I415 WeakPolarHBondContact O-CG1 3.4Å; M411-I415 PolarHBondContact O-N 2.77Å; M411-I415 HydrophobicContact SD-CD1 4.21Å; M411-I415 HydrophobicContact SD-CG1 4.42Å
412P88.7Confident86.9Confident75 Ų7594.8 Ų94.849%0.48748%0.484SS..Hα-helixtrans-59.1-39.4176.9-24.133.2000113.3R408 L409 I415 L416R408-P412 WeakPolarHBondContact O-CD 3.27Å; L409-P412 WeakPolarHBondContact O-CD 3.31Å; P412-I415 PolarHBondContact O-N 2.88Å; P412-L416 VanDerWaalsContact O-CB 3.31Å; P412-L416 WeakPolarHBondContact O-CB 3.47Å; P412-L416 PolarHBondContact O-N 3.33Å
413F87.5Confident87.7Confident133 Ų13396.4 Ų96.458%0.58349%0.491SS*.Hα-helixtrans-69.8-41.8178-63.3-81.4000111.5L409 L410 M411 I415 L416 I417L409-F413 WeakPolarHBondContact O-CD2 2.95Å; L409-F413 VanDerWaalsContact O-CE2 3.25Å; L409-F413 WeakPolarHBondContact O-CE2 2.98Å; L410-F413 PolarHBondContact O-N 2.01Å; M411-F413 VanDerWaalsContact C-N 3.31Å; M411-F413 PolarHBondContact O-N 3.38Å; F413-I415 VanDerWaalsContact C-N 3.35Å; F413-L416 PolarHBondContact O-N 3.24Å; F413-I417 WeakPolarHBondContact O-CB 3.4Å; F413-I417 WeakPolarHBondContact O-CD1 3.19Å; F413-I417 WeakPolarHBondContact O-CG1 3.3Å; F413-I417 PolarHBondContact O-N 3.03Å
414I86.6Confident88.5Confident59 Ų5996.5 Ų96.530%0.30349%0.489SS..Hα-helixtrans-59.7-48.6175-65.8169.9000109.4L410 M411 L416 I417 F418L410-I414 HydrophobicContact CB-CD1 4.31Å; L410-I414 WeakPolarHBondContact O-CG1 3.33Å; L410-I414 PolarHBondContact O-N 3.47Å; M411-I414 PolarHBondContact O-N 3.09Å; I414-L416 PolarHBondContact O-N 2.91Å; I414-I417 PolarHBondContact O-N 3.32Å; I414-F418 HydrophobicContact CG2-CD2 3.72Å; I414-F418 HydrophobicContact CG2-CE2 3.86Å; I414-F418 WeakPolarHBondContact O-CD2 3.36Å; I414-F418 PolarHBondContact O-N 3.01Å
415I90.3Very high89Confident87 Ų8793.7 Ų93.745%0.44648%0.484SS..Hα-helixtrans-59.9-44.6177.2-68.1166.2000111M411 P412 F413 I417 F418 I419M411-I415 WeakPolarHBondContact O-CB 3.04Å; M411-I415 VanDerWaalsContact O-CG1 3.25Å; M411-I415 WeakPolarHBondContact O-CG1 3.4Å; M411-I415 PolarHBondContact O-N 2.77Å; M411-I415 HydrophobicContact SD-CD1 4.21Å; M411-I415 HydrophobicContact SD-CG1 4.42Å; P412-I415 PolarHBondContact O-N 2.88Å; F413-I415 VanDerWaalsContact C-N 3.35Å; I415-I417 PolarHBondContact O-N 3.16Å; I415-F418 PolarHBondContact O-N 3.25Å; I415-I419 HydrophobicContact CG2-CD1 3.56Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; I415-I419 WeakPolarHBondContact O-CB 3.14Å; I415-I419 VanDerWaalsContact O-CG1 3.27Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 3Å
416L91.2Very high89.5Confident119 Ų11992.1 Ų92.162%0.62348%0.478SS*.Hα-helixtrans-61.1-44178.3-165.9105.4000111.7P412 F413 I414 I419 S420P412-L416 VanDerWaalsContact O-CB 3.31Å; P412-L416 WeakPolarHBondContact O-CB 3.47Å; P412-L416 PolarHBondContact O-N 3.33Å; F413-L416 PolarHBondContact O-N 3.24Å; I414-L416 PolarHBondContact O-N 2.91Å; L416-I419 PolarHBondContact O-N 2.96Å; L416-S420 WeakPolarHBondContact O-CB 3.34Å; L416-S420 PolarHBondContact O-N 2.81Å; L416-S420 PolarHBondContact O-OG 3.48Å
417I90.1Very high90.1Very high94 Ų9495.6 Ų95.648%0.48248%0.482SS..Hα-helixtrans-64.8-42.1177.5-68.6165.1000111F413 I414 I415 S420 S421F413-I417 WeakPolarHBondContact O-CB 3.4Å; F413-I417 WeakPolarHBondContact O-CD1 3.19Å; F413-I417 WeakPolarHBondContact O-CG1 3.3Å; F413-I417 PolarHBondContact O-N 3.03Å; I414-I417 PolarHBondContact O-N 3.32Å; I415-I417 PolarHBondContact O-N 3.16Å; I417-S420 PolarHBondContact O-OG 2.9Å; I417-S421 WeakPolarHBondContact O-CB 3.42Å; I417-S421 PolarHBondContact O-N 3.31Å; I417-S421 PolarHBondContact O-OG 3.22Å
418F90.1Very high90.6Very high133 Ų13393.1 Ų93.158%0.58347%0.47SS*.Hα-helixtrans-66.5-43.4176.8-93.7-83.1000111.9I414 I415 S421 T422I414-F418 HydrophobicContact CG2-CD2 3.72Å; I414-F418 HydrophobicContact CG2-CE2 3.86Å; I414-F418 WeakPolarHBondContact O-CD2 3.36Å; I414-F418 PolarHBondContact O-N 3.01Å; I415-F418 PolarHBondContact O-N 3.25Å; F418-S421 PolarHBondContact O-N 3.4Å; F418-T422 WeakPolarHBondContact O-CB 3.17Å; F418-T422 VanDerWaalsContact O-CG2 3.29Å; F418-T422 WeakPolarHBondContact O-CG2 3.44Å; F418-T422 PolarHBondContact O-N 3.37Å; F418-T422 PolarHBondContact O-OG1 3.24Å
419I92.7Very high90.9Very high97 Ų9788.2 Ų88.250%0.49746%0.457SS..Hα-helixtrans-65.5-45.8177.1-68172.1000110.4I415 L416 S421 T422 V423I415-I419 HydrophobicContact CG2-CD1 3.56Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; I415-I419 WeakPolarHBondContact O-CB 3.14Å; I415-I419 VanDerWaalsContact O-CG1 3.27Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 3Å; L416-I419 PolarHBondContact O-N 2.96Å; I419-S421 VanDerWaalsContact C-N 3.33Å; I419-S421 PolarHBondContact O-N 3.08Å; I419-T422 WeakPolarHBondContact CA-OG1 3.41Å; I419-T422 PolarHBondContact O-N 3.19Å; I419-T422 PolarHBondContact O-OG1 2.83Å; I419-V423 HydrophobicContact CG2-CG2 4.33Å; I419-V423 WeakPolarHBondContact O-CB 3.45Å; I419-V423 VanDerWaalsContact O-CG2 3.28Å; I419-V423 WeakPolarHBondContact O-CG2 3.41Å; I419-V423 PolarHBondContact O-N 2.81Å
420S90.7Very high91.2Very high65 Ų6591.1 Ų91.146%0.45546%0.461SS..Hα-helixtrans-63.1-41.3178.567.70000111.5L416 I417 F424L416-S420 WeakPolarHBondContact O-CB 3.34Å; L416-S420 PolarHBondContact O-N 2.81Å; L416-S420 PolarHBondContact O-OG 3.48Å; I417-S420 PolarHBondContact O-OG 2.9Å; S420-F424 VanDerWaalsContact O-CB 3.22Å; S420-F424 WeakPolarHBondContact O-CB 3.2Å; S420-F424 PolarHBondContact O-N 3.2Å
421S91.2Very high91.5Very high37 Ų3789.9 Ų89.926%0.25945%0.454SS..Hα-helixtrans-65.9-41.3178.4-60.70000112.1I417 F418 I419 F424 L425I417-S421 WeakPolarHBondContact O-CB 3.42Å; I417-S421 PolarHBondContact O-N 3.31Å; I417-S421 PolarHBondContact O-OG 3.22Å; F418-S421 PolarHBondContact O-N 3.4Å; I419-S421 VanDerWaalsContact C-N 3.33Å; I419-S421 PolarHBondContact O-N 3.08Å; S421-F424 PolarHBondContact O-N 3.04Å; S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.29Å; S421-L425 WeakPolarHBondContact O-CG 3.46Å; S421-L425 PolarHBondContact O-N 2.95Å
422T92.3Very high91.8Very high72 Ų7293.5 Ų93.544%0.44246%0.462SS..Hα-helixtrans-69.4-42.817850.90000112F418 I419 F424 L425 V426F418-T422 WeakPolarHBondContact O-CB 3.17Å; F418-T422 VanDerWaalsContact O-CG2 3.29Å; F418-T422 WeakPolarHBondContact O-CG2 3.44Å; F418-T422 PolarHBondContact O-N 3.37Å; F418-T422 PolarHBondContact O-OG1 3.24Å; I419-T422 WeakPolarHBondContact CA-OG1 3.41Å; I419-T422 PolarHBondContact O-N 3.19Å; I419-T422 PolarHBondContact O-OG1 2.83Å; T422-F424 VanDerWaalsContact C-N 3.33Å; T422-F424 PolarHBondContact O-N 3.04Å; T422-L425 PolarHBondContact O-N 3.27Å; T422-V426 VanDerWaalsContact O-CG2 3.31Å; T422-V426 WeakPolarHBondContact O-CG2 3.43Å; T422-V426 PolarHBondContact O-N 2.97Å
423V94.4Very high92.1Very high92 Ų9298.4 Ų98.456%0.55847%0.471SS*.Hα-helixtrans-61.1-43174.4172.20000111I419 V426 W427I419-V423 HydrophobicContact CG2-CG2 4.33Å; I419-V423 WeakPolarHBondContact O-CB 3.45Å; I419-V423 VanDerWaalsContact O-CG2 3.28Å; I419-V423 WeakPolarHBondContact O-CG2 3.41Å; I419-V423 PolarHBondContact O-N 2.81Å; V423-V426 PolarHBondContact O-N 3.5Å; V423-W427 WeakPolarHBondContact O-CB 3.34Å; V423-W427 PolarHBondContact O-N 3.39Å
424F92.1Very high92.4Very high74 Ų7499.2 Ų99.233%0.32547%0.47SS..Hα-helixtrans-64.2-43.8177.3-174.1-112.6000112.2L2 H6 S420 S421 T422 W427 I428L2-F424 HydrophobicContact CD1-CZ 4.4Å; L2-F424 HydrophobicContact CD2-CE1 3.87Å; L2-F424 HydrophobicContact CD2-CZ 3.87Å; L2-F424 HydrophobicContact CG-CE1 4.42Å; H6-F424 AromaticContact NE2-CD1 3.61Å; H6-F424 AromaticContact NE2-CE1 3.61Å; S420-F424 VanDerWaalsContact O-CB 3.22Å; S420-F424 WeakPolarHBondContact O-CB 3.2Å; S420-F424 PolarHBondContact O-N 3.2Å; S421-F424 PolarHBondContact O-N 3.04Å; T422-F424 VanDerWaalsContact C-N 3.33Å; T422-F424 PolarHBondContact O-N 3.04Å; F424-W427 HydrophobicContact CD2-CE3 4.26Å; F424-W427 HydrophobicContact CE2-CE3 4.15Å; F424-W427 HydrophobicContact CE2-CZ3 4.13Å; F424-W427 WeakPolarHBondContact O-CB 3.48Å; F424-W427 PolarHBondContact O-N 3.47Å; F424-I428 HydrophobicContact CD1-CD1 3.64Å; F424-I428 HydrophobicContact CE1-CD1 3.43Å; F424-I428 VanDerWaalsContact CE1-CD1 3.43Å; F424-I428 HydrophobicContact CE1-CG1 4.39Å; F424-I428 HydrophobicContact CG-CD1 4.29Å; F424-I428 HydrophobicContact CZ-CD1 3.9Å; F424-I428 HydrophobicContact CZ-CG1 4.43Å; F424-I428 WeakPolarHBondContact O-CG1 3.36Å; F424-I428 PolarHBondContact O-N 3.49Å
425L92.3Very high92.7Very high85 Ų85100.7 Ų100.745%0.44548%0.479SS..Hα-helixtrans-60.4-45.5174.2-77.3169.8000112S421 T422 W427 I428 I429S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.29Å; S421-L425 WeakPolarHBondContact O-CG 3.46Å; S421-L425 PolarHBondContact O-N 2.95Å; T422-L425 PolarHBondContact O-N 3.27Å; L425-W427 VanDerWaalsContact C-N 3.31Å; L425-W427 PolarHBondContact O-N 3.26Å; L425-I428 PolarHBondContact O-N 3.27Å; L425-I429 VanDerWaalsContact O-CG1 3.26Å; L425-I429 WeakPolarHBondContact O-CG1 3.34Å; L425-I429 PolarHBondContact O-N 3.46Å
426V94.9Very high92.8Very high70 Ų70101.4 Ų101.442%0.42448%0.483SS..Hα-helixtrans-62.2-39.5176.2171.40000111.3T422 V423 I429 R430T422-V426 VanDerWaalsContact O-CG2 3.31Å; T422-V426 WeakPolarHBondContact O-CG2 3.43Å; T422-V426 PolarHBondContact O-N 2.97Å; V423-V426 PolarHBondContact O-N 3.5Å; V426-I429 PolarHBondContact O-N 3.18Å; V426-R430 WeakPolarHBondContact O-CB 3.23Å; V426-R430 WeakPolarHBondContact O-CG 3.37Å; V426-R430 PolarHBondContact O-N 3.18Å
427W95.3Very high92.8Very high139 Ų139103 Ų10353%0.52749%0.49SS..Hα-helixtrans-64.2-44.9176.8-178.983.1000112.2V423 F424 L425 I429 R430 I431V423-W427 WeakPolarHBondContact O-CB 3.34Å; V423-W427 PolarHBondContact O-N 3.39Å; F424-W427 HydrophobicContact CD2-CE3 4.26Å; F424-W427 HydrophobicContact CE2-CE3 4.15Å; F424-W427 HydrophobicContact CE2-CZ3 4.13Å; F424-W427 WeakPolarHBondContact O-CB 3.48Å; F424-W427 PolarHBondContact O-N 3.47Å; L425-W427 VanDerWaalsContact C-N 3.31Å; L425-W427 PolarHBondContact O-N 3.26Å; W427-I429 PolarHBondContact O-N 3.36Å; W427-R430 PolarHBondContact O-N 3.25Å; W427-I431 HydrophobicContact CD2-CD1 3.71Å; W427-I431 HydrophobicContact CD2-CG1 4.47Å; W427-I431 HydrophobicContact CE3-CD1 3.91Å; W427-I431 HydrophobicContact CH2-CD1 3.41Å; W427-I431 VanDerWaalsContact CH2-CD1 3.41Å; W427-I431 HydrophobicContact CZ2-CD1 3.18Å; W427-I431 HydrophobicContact CZ2-CG1 4.48Å; W427-I431 HydrophobicContact CZ3-CD1 3.76Å; W427-I431 PolarHBondContact O-N 2.62Å
428I93.4Very high92.9Very high46 Ų46107.1 Ų107.124%0.23650%0.504CS..Hα-helixtrans-59-46.6174-69.8160.6000110.9L2 F424 L425 R430 I431 R432L2-I428 HydrophobicContact CD2-CD1 3.36Å; L2-I428 HydrophobicContact CD2-CG1 4.03Å; F424-I428 HydrophobicContact CD1-CD1 3.64Å; F424-I428 HydrophobicContact CE1-CD1 3.43Å; F424-I428 VanDerWaalsContact CE1-CD1 3.43Å; F424-I428 HydrophobicContact CE1-CG1 4.39Å; F424-I428 HydrophobicContact CG-CD1 4.29Å; F424-I428 HydrophobicContact CZ-CD1 3.9Å; F424-I428 HydrophobicContact CZ-CG1 4.43Å; F424-I428 WeakPolarHBondContact O-CG1 3.36Å; F424-I428 PolarHBondContact O-N 3.49Å; L425-I428 PolarHBondContact O-N 3.27Å; I428-R430 VanDerWaalsContact C-N 3.3Å; I428-R430 PolarHBondContact O-N 2.85Å; I428-I431 PolarHBondContact O-N 3.34Å; I428-R432 WeakPolarHBondContact O-CB 3.22Å; I428-R432 PolarHBondContact O-N 3.16Å
429I93.4Very high92.5Very high92 Ų92110 Ų11047%0.47253%0.525SS..Hα-helixtrans-60.5-41.7178.7-68.2165.3000110.6L425 V426 W427 R432 R433L425-I429 VanDerWaalsContact O-CG1 3.26Å; L425-I429 WeakPolarHBondContact O-CG1 3.34Å; L425-I429 PolarHBondContact O-N 3.46Å; V426-I429 PolarHBondContact O-N 3.18Å; W427-I429 PolarHBondContact O-N 3.36Å; I429-R432 PolarHBondContact O-N 3.42Å; I429-R433 PolarHBondContact O-N 3.2Å
430R94.1Very high92.5Very high163 Ų163110.6 Ų110.662%0.61553%0.527SS*.Hα-helixtrans-67-37.5176.7-79.3-178.4173.7164-0.8113.3V426 W427 I428 R434V426-R430 WeakPolarHBondContact O-CB 3.23Å; V426-R430 WeakPolarHBondContact O-CG 3.37Å; V426-R430 PolarHBondContact O-N 3.18Å; W427-R430 PolarHBondContact O-N 3.25Å; I428-R430 VanDerWaalsContact C-N 3.3Å; I428-R430 PolarHBondContact O-N 2.85Å; R430-R434 PolarHBondContact O-N 3.43Å; R430-R434 VanDerWaalsContact O-N 3.12Å
431I94Very high92.6Very high55 Ų55113 Ų11328%0.28253%0.53SS..Hα-helixtrans-66.3-45175.2-76.7-179.7000110.4W427 I428 R433 R434 N435W427-I431 HydrophobicContact CD2-CD1 3.71Å; W427-I431 HydrophobicContact CD2-CG1 4.47Å; W427-I431 HydrophobicContact CE3-CD1 3.91Å; W427-I431 HydrophobicContact CH2-CD1 3.41Å; W427-I431 VanDerWaalsContact CH2-CD1 3.41Å; W427-I431 HydrophobicContact CZ2-CD1 3.18Å; W427-I431 HydrophobicContact CZ2-CG1 4.48Å; W427-I431 HydrophobicContact CZ3-CD1 3.76Å; W427-I431 PolarHBondContact O-N 2.62Å; I428-I431 PolarHBondContact O-N 3.34Å; I431-R433 PolarHBondContact O-N 3.04Å; I431-R434 PolarHBondContact O-N 3.22Å; I431-R434 VanDerWaalsContact O-N 3.11Å; I431-N435 PolarHBondContact O-N 2.91Å
432R93.5Very high92.7Very high177 Ų177117.2 Ų117.267%0.66855%0.546SS*.Hα-helixtrans-58.6-48.1178.2-165.7171.2-177.4163.10.5111.2I428 I429 R434 N435 D436I428-R432 WeakPolarHBondContact O-CB 3.22Å; I428-R432 PolarHBondContact O-N 3.16Å; I429-R432 PolarHBondContact O-N 3.42Å; R432-R434 VanDerWaalsContact C-N 3.31Å; R432-R434 PolarHBondContact O-N 3.02Å; R432-N435 PolarHBondContact O-N 2.84Å; R432-N435 VanDerWaalsContact O-N 3.16Å; R432-D436 VanDerWaalsContact O-CG 3.28Å; R432-D436 PolarHBondContact O-N 2.86Å
433R94.1Very high92.7Very high177 Ų177119.9 Ų119.967%0.66855%0.552SS**Hα-helixtrans-59.8-34.4174.3-76.2-173.2-180-179.41114.2I429 I431 M437I429-R433 PolarHBondContact O-N 3.2Å; I431-R433 PolarHBondContact O-N 3.04Å; R433-M437 PolarHBondContact O-N 3.49Å
434R94.9Very high92.6Very high151 Ų151121.6 Ų121.657%0.5755%0.551SS**Hα-helixtrans-72.1-32.4177.3-93.1-169.5-88-177.2-7.2112.9R430 I431 R432R430-R434 PolarHBondContact O-N 3.43Å; R430-R434 VanDerWaalsContact O-N 3.12Å; I431-R434 PolarHBondContact O-N 3.22Å; I431-R434 VanDerWaalsContact O-N 3.11Å; R432-R434 VanDerWaalsContact C-N 3.31Å; R432-R434 PolarHBondContact O-N 3.02Å
435N92.5Very high92.6Very high90 Ų90124.8 Ų124.848%0.48157%0.566SS.*Hα-helixtrans-75.3-37.7175.5-69.5-10.4000111.2I431 R432 M437 K438 N439I431-N435 PolarHBondContact O-N 2.91Å; R432-N435 PolarHBondContact O-N 2.84Å; R432-N435 VanDerWaalsContact O-N 3.16Å; N435-M437 PolarHBondContact O-N 3.17Å; N435-K438 PolarHBondContact O-N 3.26Å; N435-N439 PolarHBondContact O-N 3.22Å
436D92.2Very high92.6Very high101 Ų101127.6 Ų127.654%0.5458%0.575SS.*Hα-helixtrans-66.8-19.8176.2-64.3-20.7000113.2R432R432-D436 VanDerWaalsContact O-CG 3.28Å; R432-D436 PolarHBondContact O-N 2.86Å
437M91Very high92.5Very high154 Ų154132.1 Ų132.176%0.75959%0.587SS**THydrogen-bonded Turntrans-90.6-10.5174.5-75.8-165.3-79.200114.3R433 N435R433-M437 PolarHBondContact O-N 3.49Å; N435-M437 PolarHBondContact O-N 3.17Å
438K91.1Very high92.2Very high179 Ų179131.5 Ų131.578%0.77859%0.592SS**THydrogen-bonded Turntrans-94.6-20.8177.8-77.1-175.9176.6-173.70113.1N435N435-K438 PolarHBondContact O-N 3.26Å
439N82.5Confident92.1Very high193 Ų193139.3 Ų139.3100%1.03262%0.624SS**  trans-92.80168.8-66.7-15.6000109N435N435-N439 PolarHBondContact O-N 3.22Å

Retrieved 439 of 439 residues in 131.1 ms (Link to these results)

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