A0A3Q0KI46_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB (A3RK86), UniProt , Accession A0A3Q0KI46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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
1M61Low73.5Confident208 Ų208121.3 Ų121.3100%1.02562%0.624SS**  0-38.40-83.1170.56800114.1S3 N4M1-S3 PolarHBondContact O-N 3.02Å; M1-N4 PolarHBondContact O-N 3.05Å
2Y69.8Low73.4Confident193 Ų193119 Ų11976%0.75761%0.613SS**Hα-helixtrans-63.5-34.5-178.5-68.6-78.3000115.7N4 L5 L6Y2-N4 PolarHBondContact O-N 3.3Å; Y2-L5 PolarHBondContact O-N 2.83Å; Y2-L6 PolarHBondContact O-N 2.75Å; Y2-L6 VanDerWaalsContact O-N 3.14Å
3S76.5Confident73.3Confident95 Ų95119.8 Ų119.866%0.66461%0.61SS**Hα-helixtrans-61.4-40.3179.8-173.70000113.1M1 L5 L6 C7M1-S3 PolarHBondContact O-N 3.02Å; S3-L5 VanDerWaalsContact C-N 3.34Å; S3-L5 PolarHBondContact O-N 2.78Å; S3-L6 PolarHBondContact O-N 2.98Å; S3-C7 WeakPolarHBondContact O-CB 3.43Å; S3-C7 PolarHBondContact O-N 2.03Å; S3-C7 VanDerWaalsContact O-N 3.09Å
4N74.4Confident73Confident119 Ų119116.9 Ų116.964%0.63660%0.595SS**Hα-helixtrans-68.7-33.5179.1-66.5-17.8000112.2M1 Y2 C7 L8M1-N4 PolarHBondContact O-N 3.05Å; Y2-N4 PolarHBondContact O-N 3.3Å; N4-C7 PolarHBondContact O-N 3.43Å; N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 3.26Å; N4-L8 VanDerWaalsContact O-N 3.13Å
5L76.4Confident72.6Confident106 Ų106116.7 Ų116.756%0.55560%0.595SS**Hα-helixtrans-73-40.1179.2-167.664.8000111.8Y2 S3 C7 L8 M9Y2-L5 PolarHBondContact O-N 2.83Å; S3-L5 VanDerWaalsContact C-N 3.34Å; S3-L5 PolarHBondContact O-N 2.78Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.04Å; L5-L8 PolarHBondContact O-N 3.15Å; L5-M9 WeakPolarHBondContact O-CG 3.33Å; L5-M9 PolarHBondContact O-N 3.29Å; L5-M9 VanDerWaalsContact O-N 3.13Å
6L73.2Confident72.1Confident116 Ų116116.5 Ų116.561%0.60760%0.595SS**Hα-helixtrans-62-40172.1-98.6110.3000112Y2 S3 M9 F10Y2-L6 PolarHBondContact O-N 2.75Å; Y2-L6 VanDerWaalsContact O-N 3.14Å; S3-L6 PolarHBondContact O-N 2.98Å; L6-M9 PolarHBondContact O-N 3.46Å; L6-F10 PolarHBondContact O-N 3.49Å
7C73.9Confident71.5Confident76 Ų76117.2 Ų117.251%0.51459%0.593SS.*Hα-helixtrans-62.9-43.8178-165.20000111.8S3 N4 L5 M9 F10 T11S3-C7 WeakPolarHBondContact O-CB 3.43Å; S3-C7 PolarHBondContact O-N 2.03Å; S3-C7 VanDerWaalsContact O-N 3.09Å; N4-C7 PolarHBondContact O-N 3.43Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 3.04Å; C7-M9 PolarHBondContact O-N 3.05Å; C7-F10 PolarHBondContact O-N 3.06Å; C7-T11 WeakPolarHBondContact O-CG2 3.36Å; C7-T11 PolarHBondContact O-N 3.23Å; C7-T11 PolarHBondContact O-OG1 3.11Å
8L76.6Confident70.8Confident106 Ų106118.8 Ų118.856%0.55560%0.596SS**Hα-helixtrans-65.6-34.9177.1-73.9168.3000113.3N4 L5 T11 L12N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 3.26Å; N4-L8 VanDerWaalsContact O-N 3.13Å; L5-L8 PolarHBondContact O-N 3.15Å; L8-T11 PolarHBondContact O-OG1 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.07Å; L8-L12 VanDerWaalsContact O-N 3.07Å
9M78.6Confident70.1Confident109 Ų109120.5 Ų120.554%0.53760%0.601SS.*Hα-helixtrans-69.8-37.6174.5-68.6-65.193.800112L5 L6 C7 L12 F13L5-M9 WeakPolarHBondContact O-CG 3.33Å; L5-M9 PolarHBondContact O-N 3.29Å; L5-M9 VanDerWaalsContact O-N 3.13Å; L6-M9 PolarHBondContact O-N 3.46Å; C7-M9 PolarHBondContact O-N 3.05Å; M9-L12 HydrophobicContact CE-CD2 4.4Å; M9-L12 PolarHBondContact O-N 3.34Å; M9-F13 WeakPolarHBondContact O-CB 3.49Å; M9-F13 PolarHBondContact O-N 3.01Å
10F74.5Confident69.4Low143 Ų143122 Ų12263%0.62761%0.606SS**Hα-helixtrans-64.4-42.9174.3-111.7-90.9000112.5L6 C7 F13 I14L6-F10 PolarHBondContact O-N 3.49Å; C7-F10 PolarHBondContact O-N 3.06Å; F10-F13 PolarHBondContact O-N 3.01Å; F10-I14 WeakPolarHBondContact O-CB 2.99Å; F10-I14 VanDerWaalsContact O-CG1 3.31Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 2.97Å
11T73.5Confident68.7Low63 Ų63123.1 Ų123.139%0.38762%0.615SS.*Hα-helixtrans-68.5-36.4178.257.10000112.2C7 L8 L15C7-T11 WeakPolarHBondContact O-CG2 3.36Å; C7-T11 PolarHBondContact O-N 3.23Å; C7-T11 PolarHBondContact O-OG1 3.11Å; L8-T11 PolarHBondContact O-OG1 3.27Å; T11-L15 WeakPolarHBondContact O-CB 3.37Å; T11-L15 VanDerWaalsContact O-CG 3.26Å; T11-L15 WeakPolarHBondContact O-CG 3.32Å; T11-L15 PolarHBondContact O-N 3.3Å
12L72.8Confident68.5Low94 Ų94118.7 Ų118.749%0.49260%0.599SS.*Hα-helixtrans-66.9-40.6174.5-151.386.8000111.6L8 M9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.07Å; L8-L12 VanDerWaalsContact O-N 3.07Å; M9-L12 HydrophobicContact CE-CD2 4.4Å; M9-L12 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.02Å
13F71.4Confident67.8Low130 Ų130119.4 Ų119.457%0.5760%0.602SS**Hα-helixtrans-62.4-50.5175.2-149-106.8000110.2M9 F10 L15 L16 F17M9-F13 WeakPolarHBondContact O-CB 3.49Å; M9-F13 PolarHBondContact O-N 3.01Å; F10-F13 PolarHBondContact O-N 3.01Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.9Å; F13-L16 PolarHBondContact O-N 2.94Å; F13-L16 VanDerWaalsContact O-N 3.09Å; F13-F17 AromaticContact CD1-CD2 3.54Å; F13-F17 HydrophobicContact CD1-CD2 3.54Å; F13-F17 AromaticContact CD1-CE2 3.33Å; F13-F17 HydrophobicContact CD1-CE2 3.33Å; F13-F17 HydrophobicContact CD1-CZ 4.29Å; F13-F17 HydrophobicContact CD2-CE2 4.16Å; F13-F17 AromaticContact CE1-CD2 3.7Å; F13-F17 HydrophobicContact CE1-CD2 3.7Å; F13-F17 AromaticContact CE1-CE2 2.98Å; F13-F17 HydrophobicContact CE1-CE2 2.98Å; F13-F17 AromaticContact CE1-CZ 3.57Å; F13-F17 HydrophobicContact CE1-CZ 3.57Å; F13-F17 AromaticContact CE2-CE2 3.87Å; F13-F17 HydrophobicContact CE2-CE2 3.87Å; F13-F17 HydrophobicContact CG-CD2 4.07Å; F13-F17 AromaticContact CG-CE2 3.93Å; F13-F17 HydrophobicContact CG-CE2 3.93Å; F13-F17 HydrophobicContact CZ-CD2 4.32Å; F13-F17 AromaticContact CZ-CE2 3.29Å; F13-F17 HydrophobicContact CZ-CE2 3.29Å; F13-F17 AromaticContact CZ-CZ 3.8Å; F13-F17 HydrophobicContact CZ-CZ 3.8Å; F13-F17 VanDerWaalsContact O-CD2 3.25Å; F13-F17 WeakPolarHBondContact O-CD2 2.96Å; F13-F17 PolarHBondContact O-N 3.46Å
14I69.5Low66.9Low79 Ų79118.8 Ų118.841%0.40560%0.596SS.*Hα-helixtrans-49.3-53.3171.6-79.8171.9000110.6F10 L16 F17 F18F10-I14 WeakPolarHBondContact O-CB 2.99Å; F10-I14 VanDerWaalsContact O-CG1 3.31Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 2.97Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 3.28Å; I14-F17 PolarHBondContact O-N 2.87Å; I14-F18 HydrophobicContact CB-CD2 4.19Å; I14-F18 HydrophobicContact CB-CE2 4.2Å; I14-F18 HydrophobicContact CG1-CE2 4.35Å; I14-F18 HydrophobicContact CG2-CD2 3.47Å; I14-F18 VanDerWaalsContact CG2-CD2 3.47Å; I14-F18 HydrophobicContact CG2-CE2 3.56Å; I14-F18 WeakPolarHBondContact O-CB 3.37Å; I14-F18 WeakPolarHBondContact O-CD2 3.09Å; I14-F18 PolarHBondContact O-N 3.34Å
15L66.3Low66.3Low114 Ų114120.3 Ų120.360%0.59761%0.605SS**Hα-helixtrans-62.5-32.5-179.1-72.9167.5000113.6T11 L12 F13 H19T11-L15 WeakPolarHBondContact O-CB 3.37Å; T11-L15 VanDerWaalsContact O-CG 3.26Å; T11-L15 WeakPolarHBondContact O-CG 3.32Å; T11-L15 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 3.2Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.9Å; L15-H19 WeakPolarHBondContact O-CB 3.49Å; L15-H19 PolarHBondContact O-N 3.03Å
16L65.6Low66.2Low113 Ų113121.7 Ų121.759%0.59261%0.606SS**Hα-helixtrans-74.3-38.3175-69.3170.5000112.2L12 F13 I14 H19L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.02Å; F13-L16 PolarHBondContact O-N 2.94Å; F13-L16 VanDerWaalsContact O-N 3.09Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 3.28Å; L16-H19 PolarHBondContact O-N 2.98Å
17F61.4Low66.9Low128 Ų128123.9 Ų123.956%0.56162%0.618SS**Hα-helixtrans-71.3-36.2175.1-83.8-93.8000112.3F13 I14 H19F13-F17 AromaticContact CD1-CD2 3.54Å; F13-F17 HydrophobicContact CD1-CD2 3.54Å; F13-F17 AromaticContact CD1-CE2 3.33Å; F13-F17 HydrophobicContact CD1-CE2 3.33Å; F13-F17 HydrophobicContact CD1-CZ 4.29Å; F13-F17 HydrophobicContact CD2-CE2 4.16Å; F13-F17 AromaticContact CE1-CD2 3.7Å; F13-F17 HydrophobicContact CE1-CD2 3.7Å; F13-F17 AromaticContact CE1-CE2 2.98Å; F13-F17 HydrophobicContact CE1-CE2 2.98Å; F13-F17 AromaticContact CE1-CZ 3.57Å; F13-F17 HydrophobicContact CE1-CZ 3.57Å; F13-F17 AromaticContact CE2-CE2 3.87Å; F13-F17 HydrophobicContact CE2-CE2 3.87Å; F13-F17 HydrophobicContact CG-CD2 4.07Å; F13-F17 AromaticContact CG-CE2 3.93Å; F13-F17 HydrophobicContact CG-CE2 3.93Å; F13-F17 HydrophobicContact CZ-CD2 4.32Å; F13-F17 AromaticContact CZ-CE2 3.29Å; F13-F17 HydrophobicContact CZ-CE2 3.29Å; F13-F17 AromaticContact CZ-CZ 3.8Å; F13-F17 HydrophobicContact CZ-CZ 3.8Å; F13-F17 VanDerWaalsContact O-CD2 3.25Å; F13-F17 WeakPolarHBondContact O-CD2 2.96Å; F13-F17 PolarHBondContact O-N 3.46Å; I14-F17 PolarHBondContact O-N 2.87Å; F17-H19 VanDerWaalsContact C-N 3.27Å; F17-H19 PolarHBondContact O-N 3.4Å
18F58.8Low67.9Low147 Ų147121.7 Ų121.765%0.64560%0.601SS**THydrogen-bonded Turntrans-77-7.4177.4-73.7-67.1000114I14I14-F18 HydrophobicContact CB-CD2 4.19Å; I14-F18 HydrophobicContact CB-CE2 4.2Å; I14-F18 HydrophobicContact CG1-CE2 4.35Å; I14-F18 HydrophobicContact CG2-CD2 3.47Å; I14-F18 VanDerWaalsContact CG2-CD2 3.47Å; I14-F18 HydrophobicContact CG2-CE2 3.56Å; I14-F18 WeakPolarHBondContact O-CB 3.37Å; I14-F18 WeakPolarHBondContact O-CD2 3.09Å; I14-F18 PolarHBondContact O-N 3.34Å
19H56.9Low68.8Low151 Ų151121 Ų12170%0.69960%0.598SS**THydrogen-bonded Turntrans-89.3-14.7178-149.9-70.6000113.7L15 L16 F17L15-H19 WeakPolarHBondContact O-CB 3.49Å; L15-H19 PolarHBondContact O-N 3.03Å; L16-H19 PolarHBondContact O-N 2.98Å; F17-H19 VanDerWaalsContact C-N 3.27Å; F17-H19 PolarHBondContact O-N 3.4Å
20E55.9Low69.7Low150 Ų150123.4 Ų123.470%0.70161%0.606SS**SBendtrans-81.3-25.4179.7-72-121.8145.700113.4V22 Y23E20-V22 PolarHBondContact O-N 2.83Å; E20-Y23 WeakPolarHBondContact O-CD2 3.3Å
21D54.6Low70.8Confident146 Ų146119.8 Ų119.878%0.78159%0.593SS**SBendtrans-90.31.4-174.7-72.2-36000115Y23D21-Y23 PolarHBondContact O-N 2.87Å
22V56.9Low72Confident114 Ų114117.3 Ų117.369%0.69158%0.578SS**  trans-89.733.6169.1-1610000111E20 C24E20-V22 PolarHBondContact O-N 2.83Å; V22-C24 PolarHBondContact O-N 3.34Å
23Y56.5Low73.2Confident208 Ų208119.8 Ų119.882%0.81658%0.581SS**  trans-72.169.6150.7-86.3-84.6000108.4E20 D21 N25E20-Y23 WeakPolarHBondContact O-CD2 3.3Å; D21-Y23 PolarHBondContact O-N 2.87Å; Y23-N25 PolarHBondContact O-N 3.47Å
24C56.5Low74.5Confident82 Ų82117.3 Ų117.355%0.55457%0.57SS**  trans-47.3116.7172.5176.20000107.8V22 K26V22-C24 PolarHBondContact O-N 3.34Å; C24-K26 HydrophobicContact CB-CG 4.32Å; C24-K26 PolarHBondContact O-N 3.37Å
25N61.4Low75.9Confident152 Ų152113.6 Ų113.681%0.81355%0.551SS**  trans-64.677.8167.2-149.2-15.5000106.4Y23 D27Y23-N25 PolarHBondContact O-N 3.47Å; N25-D27 PolarHBondContact O-N 3.26Å; N25-D27 VanDerWaalsContact O-N 3.12Å
26K75.6Confident77.4Confident134 Ų134108.5 Ų108.558%0.58352%0.524SS*.PPolyproline II helixtrans-60.8120.8-175.1-77.6-176180177.10107.2C24 L28 Y67C24-K26 HydrophobicContact CB-CG 4.32Å; C24-K26 PolarHBondContact O-N 3.37Å; K26-L28 PolarHBondContact O-N 3.23Å; K26-Y67 HydrophobicContact CB-CE1 4.04Å; K26-Y67 PolarHBondContact O-OH 3.27Å
27D88.3Confident79Confident162 Ų162105.8 Ų105.887%0.86652%0.518SS*.PPolyproline II helixtrans-60.3128.5173-82.7-41.4000109.7N25 N29N25-D27 PolarHBondContact O-N 3.26Å; N25-D27 VanDerWaalsContact O-N 3.12Å; D27-N29 PolarHBondContact O-N 3.38Å
28L93.7Very high80.8Confident30 Ų30100.7 Ų100.716%0.15750%0.497CS..PPolyproline II helixtrans-63130175.2-67-176.5000109.4K26 R33 L36 W65 Y67K26-L28 PolarHBondContact O-N 3.23Å; L28-R33 HydrophobicContact CB-CG 3.41Å; L28-R33 VanDerWaalsContact CB-CG 3.41Å; L28-R33 HydrophobicContact CD1-CG 4.27Å; L28-R33 HydrophobicContact CG-CG 4.47Å; L28-R33 WeakPolarHBondContact O-CD 3.32Å; L28-R33 PolarHBondContact O-NE 3.14Å; L28-L36 HydrophobicContact CD1-CD2 3.75Å; L28-W65 HydrophobicContact CD1-CB 4.07Å; L28-W65 HydrophobicContact CD1-CD2 4.34Å; L28-W65 HydrophobicContact CD1-CG 4.14Å; L28-W65 HydrophobicContact CD2-CB 3.97Å; L28-W65 HydrophobicContact CD2-CD2 3.82Å; L28-W65 HydrophobicContact CD2-CG 3.42Å; L28-W65 VanDerWaalsContact CD2-CG 3.42Å; L28-W65 HydrophobicContact CG-CG 4.43Å; L28-Y67 HydrophobicContact CD2-CE1 3.83Å
29N95.5Very high82.7Confident91 Ų9193.8 Ų93.849%0.48747%0.466SS..PPolyproline II helixtrans-60.4164.5171.374.356.2000110.8D27 N31 S32 R33D27-N29 PolarHBondContact O-N 3.38Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.39Å; N29-N31 WeakPolarHBondContact OD1-CA 3.4Å; N29-N31 WeakPolarHBondContact OD1-CB 3.29Å; N29-N31 PolarHBondContact OD1-N 3.39Å; N29-S32 PolarHBondContact ND2-OG 2.85Å; N29-S32 VanDerWaalsContact ND2-OG 3.12Å; N29-S32 PolarHBondContact O-N 2.96Å; N29-S32 PolarHBondContact OD1-N 2.8Å; N29-S32 PolarHBondContact OD1-OG 3.08Å; N29-R33 PolarHBondContact O-N 3.11Å
30K97.3Very high84.7Confident160 Ų16091 Ų9170%0.69645%0.45SS*.Hα-helixtrans-54.1-41.3-176-175.7-179.4178.6-178.80113.1K34K30-K34 WeakPolarHBondContact O-CB 3.39Å; K30-K34 PolarHBondContact O-N 3.39Å
31N98Very high86.7Confident67 Ų6789 Ų8936%0.35844%0.439SS..Hα-helixtrans-70.9-45.5-178.8-68.8-14.8000111.2N29 R33 K34 L35 I105 V147N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.39Å; N29-N31 WeakPolarHBondContact OD1-CA 3.4Å; N29-N31 WeakPolarHBondContact OD1-CB 3.29Å; N29-N31 PolarHBondContact OD1-N 3.39Å; N31-R33 PolarHBondContact O-N 3.35Å; N31-K34 PolarHBondContact O-N 3.44Å; N31-L35 WeakPolarHBondContact O-CB 3.06Å; N31-L35 WeakPolarHBondContact O-CG 3.26Å; N31-L35 PolarHBondContact O-N 3.29Å; N31-I105 HydrophobicContact CB-CD1 3.66Å; N31-I105 WeakPolarHBondContact OD1-CD1 3.26Å; N31-V147 HydrophobicContact CB-CG2 4.27Å
32S98.2Very high88.8Confident11 Ų1183.6 Ų83.68%0.07741%0.407CS..Hα-helixtrans-59.3-45.7175.6-61.10000111.9N29 K34 L35 L36 W65N29-S32 PolarHBondContact ND2-OG 2.85Å; N29-S32 VanDerWaalsContact ND2-OG 3.12Å; N29-S32 PolarHBondContact O-N 2.96Å; N29-S32 PolarHBondContact OD1-N 2.8Å; N29-S32 PolarHBondContact OD1-OG 3.08Å; S32-K34 VanDerWaalsContact C-N 3.34Å; S32-K34 PolarHBondContact O-N 2.95Å; S32-L35 PolarHBondContact O-N 3.12Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 3.13Å; S32-W65 VanDerWaalsContact CB-CZ2 3.48Å; S32-W65 VanDerWaalsContact OG-CZ2 3.24Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.4Å
33R98.2Very high90.8Very high147 Ų14778.4 Ų78.456%0.55538%0.376SS*.Hα-helixtrans-58.5-46174.4-76.4-172.5-81.7140.3-6.5111.8L28 N29 N31 L36 A37L28-R33 HydrophobicContact CB-CG 3.41Å; L28-R33 VanDerWaalsContact CB-CG 3.41Å; L28-R33 HydrophobicContact CD1-CG 4.27Å; L28-R33 HydrophobicContact CG-CG 4.47Å; L28-R33 WeakPolarHBondContact O-CD 3.32Å; L28-R33 PolarHBondContact O-NE 3.14Å; N29-R33 PolarHBondContact O-N 3.11Å; N31-R33 PolarHBondContact O-N 3.35Å; R33-L36 PolarHBondContact O-N 3.12Å; R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.09Å
34K98.6Very high92.8Very high77 Ų7773 Ų7334%0.33536%0.358SS..Hα-helixtrans-64-46.3-178.8-173.5171.8-177.6174.90112K30 N31 S32 A37 L38 I105 N106K30-K34 WeakPolarHBondContact O-CB 3.39Å; K30-K34 PolarHBondContact O-N 3.39Å; N31-K34 PolarHBondContact O-N 3.44Å; S32-K34 VanDerWaalsContact C-N 3.34Å; S32-K34 PolarHBondContact O-N 2.95Å; K34-A37 PolarHBondContact O-N 3.22Å; K34-L38 HydrophobicContact CG-CD1 4.05Å; K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 WeakPolarHBondContact O-CG 3.35Å; K34-L38 PolarHBondContact O-N 2.88Å; K34-I105 HydrophobicContact CD-CB 4.31Å; K34-I105 HydrophobicContact CD-CG2 4.09Å; K34-I105 HydrophobicContact CG-CG2 4.04Å; K34-N106 WeakPolarHBondContact CE-OD1 3.35Å; K34-N106 PolarHBondContact NZ-OD1 3.13Å
35L98.8Very high94.8Very high1 Ų170.2 Ų70.21%0.00534%0.337CS..Hα-helixtrans-61-48177.4-76.9159.7000111.5N31 S32 A37 L38 H39 I105 V109 C145 V147 V157N31-L35 WeakPolarHBondContact O-CB 3.06Å; N31-L35 WeakPolarHBondContact O-CG 3.26Å; N31-L35 PolarHBondContact O-N 3.29Å; S32-L35 PolarHBondContact O-N 3.12Å; L35-A37 PolarHBondContact O-N 2.05Å; L35-L38 PolarHBondContact O-N 2.69Å; L35-H39 PolarHBondContact O-N 3.45Å; L35-H39 VanDerWaalsContact O-N 3.11Å; L35-H39 PolarHBondContact O-ND1 2.93Å; L35-I105 HydrophobicContact CD2-CG2 3.65Å; L35-I105 HydrophobicContact CG-CG2 3.8Å; L35-V109 HydrophobicContact CD2-CG2 3.69Å; L35-C145 HydrophobicContact CB-CB 4.39Å; L35-C145 HydrophobicContact CD1-CB 3.61Å; L35-C145 HydrophobicContact CG-CB 4.43Å; L35-V147 HydrophobicContact CD1-CG2 3.59Å; L35-V157 HydrophobicContact CD2-CG1 3.78Å
36L98.7Very high96.6Very high8 Ų863 Ų634%0.04230%0.299CS..Hα-helixtrans-61.7-43.3177-178.461.1000111.9L28 S32 R33 R40 L63 W65 I143L28-L36 HydrophobicContact CD1-CD2 3.75Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 3.13Å; R33-L36 PolarHBondContact O-N 3.12Å; L36-R40 HydrophobicContact CD1-CG 4.36Å; L36-R40 WeakPolarHBondContact O-CB 3.48Å; L36-R40 WeakPolarHBondContact O-CG 3.34Å; L36-R40 PolarHBondContact O-N 2.82Å; L36-L63 HydrophobicContact CD1-CB 4.02Å; L36-W65 HydrophobicContact CB-CE3 4.09Å; L36-W65 HydrophobicContact CB-CZ3 4.34Å; L36-W65 HydrophobicContact CD2-CB 4.26Å; L36-W65 HydrophobicContact CD2-CE3 4.47Å; L36-I143 HydrophobicContact CD1-CG2 3.5Å; L36-I143 VanDerWaalsContact CD1-CG2 3.5Å
37A98.7Very high97.7Very high56 Ų5657.7 Ų57.746%0.46328%0.277SS..Hα-helixtrans-64.6-44.5179.600000112.2R33 K34 L35 R40 K41R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.09Å; K34-A37 PolarHBondContact O-N 3.22Å; L35-A37 PolarHBondContact O-N 2.05Å; A37-R40 PolarHBondContact O-N 2.84Å; A37-K41 WeakPolarHBondContact O-CB 3.49Å; A37-K41 PolarHBondContact O-N 3.39Å
38L98.9Very high98.1Very high21 Ų2151.4 Ų51.411%0.1124%0.244CC..Hα-helixtrans-62.6-45.1177.6-72.5168.1000111.6K34 L35 K41 Y42 I105 V109K34-L38 HydrophobicContact CG-CD1 4.05Å; K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 WeakPolarHBondContact O-CG 3.35Å; K34-L38 PolarHBondContact O-N 2.88Å; L35-L38 PolarHBondContact O-N 2.69Å; L38-K41 PolarHBondContact O-N 3.26Å; L38-Y42 WeakPolarHBondContact O-CB 3.14Å; L38-Y42 VanDerWaalsContact O-CD2 3.26Å; L38-Y42 WeakPolarHBondContact O-CD2 3.19Å; L38-Y42 PolarHBondContact O-N 2.93Å; L38-I105 HydrophobicContact CD1-CG2 3.96Å; L38-V109 HydrophobicContact CB-CB 4.44Å; L38-V109 HydrophobicContact CB-CG1 3.89Å; L38-V109 HydrophobicContact CD1-CB 4.15Å; L38-V109 HydrophobicContact CD1-CG1 4.5Å; L38-V109 HydrophobicContact CD1-CG2 4.12Å
39H98.9Very high98.3Very high1 Ų151.8 Ų51.81%0.00525%0.249CC..Hα-helixtrans-62.4-45.3176.7-76.580000112.3L35 Y42 R43 L63 I143 Y161L35-H39 PolarHBondContact O-N 3.45Å; L35-H39 VanDerWaalsContact O-N 3.11Å; L35-H39 PolarHBondContact O-ND1 2.93Å; H39-Y42 PolarHBondContact O-N 2.93Å; H39-R43 WeakPolarHBondContact O-CB 3.44Å; H39-R43 VanDerWaalsContact O-CG 3.25Å; H39-R43 WeakPolarHBondContact O-CG 3.47Å; H39-R43 PolarHBondContact O-N 3.34Å; H39-L63 HydrophobicContact CB-CD1 3.68Å; H39-I143 HydrophobicContact CB-CD1 4.25Å; H39-Y161 AromaticContact CD2-CE1 3.72Å; H39-Y161 AromaticContact NE2-CE1 3.64Å; H39-Y161 AromaticContact NE2-CZ 3.62Å; H39-Y161 PolarHBondContact NE2-OH 2.91Å
40R98.8Very high98.4Very high93 Ų9353.3 Ų53.335%0.35125%0.251SS..Hα-helixtrans-61.2-44.8176.5-76.1174.7172.9171.1-3.5111.5L36 A37 R43 Q44 L63L36-R40 HydrophobicContact CD1-CG 4.36Å; L36-R40 WeakPolarHBondContact O-CB 3.48Å; L36-R40 WeakPolarHBondContact O-CG 3.34Å; L36-R40 PolarHBondContact O-N 2.82Å; A37-R40 PolarHBondContact O-N 2.84Å; R40-R43 PolarHBondContact O-N 3.09Å; R40-Q44 WeakPolarHBondContact O-CB 3.46Å; R40-Q44 PolarHBondContact O-N 3.07Å; R40-L63 HydrophobicContact CG-CB 4.39Å; R40-L63 PolarHBondContact NE-O 3.44Å; R40-L63 PolarHBondContact NH2-O 3.34Å
41K98.8Very high98.4Very high109 Ų10946.2 Ų46.247%0.47422%0.221SC..Hα-helixtrans-56.7-52.5176.3-180-168.2174-66.60110.7A37 L38 R43 Q44 D45A37-K41 WeakPolarHBondContact O-CB 3.49Å; A37-K41 PolarHBondContact O-N 3.39Å; L38-K41 PolarHBondContact O-N 3.26Å; K41-R43 PolarHBondContact O-N 2.88Å; K41-Q44 CarbonylContact O-C 3.57Å; K41-Q44 WeakPolarHBondContact O-CB 3.06Å; K41-Q44 PolarHBondContact O-N 2.97Å; K41-Q44 VanDerWaalsContact O-N 3.12Å; K41-D45 IonicContact NZ-OD1 2.92Å; K41-D45 IonicContact NZ-OD2 3.01Å; K41-D45 PolarHBondContact NZ-OD2 3.21Å; K41-D45 PolarHBondContact O-N 3.21Å
42Y98.9Very high98.4Very high31 Ų3149.7 Ų49.712%0.12224%0.24CC..Hα-helixtrans-65.2-37.9-177.1-81.1-47.7000113.8L38 H39 Q44 D45 L46 V109 D110 F113 M135L38-Y42 WeakPolarHBondContact O-CB 3.14Å; L38-Y42 VanDerWaalsContact O-CD2 3.26Å; L38-Y42 WeakPolarHBondContact O-CD2 3.19Å; L38-Y42 PolarHBondContact O-N 2.93Å; H39-Y42 PolarHBondContact O-N 2.93Å; Y42-Q44 VanDerWaalsContact C-N 3.32Å; Y42-D45 PolarHBondContact O-N 3.13Å; Y42-L46 PolarHBondContact O-N 2.83Å; Y42-V109 HydrophobicContact CD2-CG1 3.99Å; Y42-V109 HydrophobicContact CE2-CG1 3.95Å; Y42-D110 VanDerWaalsContact OH-CG 3.3Å; Y42-D110 PolarHBondContact OH-OD1 3.46Å; Y42-F113 HydrophobicContact CD1-CB 4.38Å; Y42-F113 AromaticContact CD1-CD1 3.31Å; Y42-F113 HydrophobicContact CD1-CD1 3.31Å; Y42-F113 AromaticContact CD1-CD2 3.87Å; Y42-F113 HydrophobicContact CD1-CD2 3.87Å; Y42-F113 AromaticContact CD1-CE1 3.33Å; Y42-F113 HydrophobicContact CD1-CE1 3.33Å; Y42-F113 AromaticContact CD1-CE2 3.9Å; Y42-F113 HydrophobicContact CD1-CE2 3.9Å; Y42-F113 AromaticContact CD1-CG 3.57Å; Y42-F113 HydrophobicContact CD1-CG 3.57Å; Y42-F113 AromaticContact CD1-CZ 3.62Å; Y42-F113 HydrophobicContact CD1-CZ 3.62Å; Y42-F113 HydrophobicContact CD2-CB 4.04Å; Y42-F113 HydrophobicContact CD2-CD1 4.47Å; Y42-F113 HydrophobicContact CD2-CD2 4.2Å; Y42-F113 AromaticContact CD2-CG 3.97Å; Y42-F113 HydrophobicContact CD2-CG 3.97Å; Y42-F113 HydrophobicContact CE1-CB 4.35Å; Y42-F113 AromaticContact CE1-CD1 3.35Å; Y42-F113 HydrophobicContact CE1-CD1 3.35Å; Y42-F113 AromaticContact CE1-CE1 3.68Å; Y42-F113 HydrophobicContact CE1-CE1 3.68Å; Y42-F113 AromaticContact CE1-CG 3.84Å; Y42-F113 HydrophobicContact CE1-CG 3.84Å; Y42-F113 HydrophobicContact CE1-CZ 4.41Å; Y42-F113 HydrophobicContact CE2-CB 4.01Å; Y42-F113 HydrophobicContact CE2-CD1 4.5Å; Y42-F113 HydrophobicContact CE2-CG 4.22Å; Y42-F113 HydrophobicContact CG-CB 4.23Å; Y42-F113 AromaticContact CG-CD1 3.91Å; Y42-F113 HydrophobicContact CG-CD1 3.91Å; Y42-F113 AromaticContact CG-CD2 3.65Å; Y42-F113 HydrophobicContact CG-CD2 3.65Å; Y42-F113 HydrophobicContact CG-CE1 4.13Å; Y42-F113 AromaticContact CG-CE2 3.89Å; Y42-F113 HydrophobicContact CG-CE2 3.89Å; Y42-F113 AromaticContact CG-CG 3.63Å; Y42-F113 HydrophobicContact CG-CG 3.63Å; Y42-F113 HydrophobicContact CG-CZ 4.1Å; Y42-F113 AromaticContact CZ-CD1 3.97Å; Y42-M135 HydrophobicContact CD2-CE 3.93Å
43R98.8Very high98.3Very high6 Ų653 Ų532%0.02328%0.275CS..Hα-helixtrans-62.6-41.7171.5-70.9170.573.782.6-2.2111.4H39 R40 K41 L46 V47 M60 S61 M135 W137 A138H39-R43 WeakPolarHBondContact O-CB 3.44Å; H39-R43 VanDerWaalsContact O-CG 3.25Å; H39-R43 WeakPolarHBondContact O-CG 3.47Å; H39-R43 PolarHBondContact O-N 3.34Å; R40-R43 PolarHBondContact O-N 3.09Å; K41-R43 PolarHBondContact O-N 2.88Å; R43-L46 PolarHBondContact O-N 3.38Å; R43-V47 PolarHBondContact O-N 2.86Å; R43-M60 HydrophobicContact CB-CB 4.04Å; R43-M60 HydrophobicContact CB-CG 4.07Å; R43-M60 HydrophobicContact CG-SD 4.45Å; R43-S61 PolarHBondContact NE-O 2.96Å; R43-S61 VanDerWaalsContact NE-O 3.14Å; R43-S61 PolarHBondContact NH2-O 3.15Å; R43-S61 PolarHBondContact NH2-OG 3.36Å; R43-M135 PolarHBondContact NH1-O 3.25Å; R43-W137 PolarHBondContact NH1-O 2.97Å; R43-W137 PolarHBondContact NH2-O 2.64Å; R43-A138 PolarHBondContact NH2-O 2.87Å
44Q98.6Very high98.4Very high95 Ų9546.7 Ų46.744%0.44425%0.252SS..Hα-helixtrans-66.7-41.3176.3-169.862.850.200111.8R40 K41 Y42 L46 V47 D48R40-Q44 WeakPolarHBondContact O-CB 3.46Å; R40-Q44 PolarHBondContact O-N 3.07Å; K41-Q44 CarbonylContact O-C 3.57Å; K41-Q44 WeakPolarHBondContact O-CB 3.06Å; K41-Q44 PolarHBondContact O-N 2.97Å; K41-Q44 VanDerWaalsContact O-N 3.12Å; Y42-Q44 VanDerWaalsContact C-N 3.32Å; Q44-L46 PolarHBondContact O-N 2.81Å; Q44-V47 CarbonylContact O-C 3.55Å; Q44-V47 WeakPolarHBondContact O-CA 3.26Å; Q44-V47 WeakPolarHBondContact O-CB 3.47Å; Q44-V47 PolarHBondContact O-N 3.45Å; Q44-D48 PolarHBondContact NE2-OD1 2.92Å; Q44-D48 WeakPolarHBondContact O-CB 3.49Å; Q44-D48 VanDerWaalsContact O-CG 3.31Å; Q44-D48 PolarHBondContact O-N 3.35Å
45D98.6Very high98.4Very high23 Ų2344.5 Ų44.512%0.12325%0.245CC..Hα-helixtrans-57.9-34.9177.2-72.4-23.9000111.6K41 Y42 D48 C49 K50 V51K41-D45 IonicContact NZ-OD1 2.92Å; K41-D45 IonicContact NZ-OD2 3.01Å; K41-D45 PolarHBondContact NZ-OD2 3.21Å; K41-D45 PolarHBondContact O-N 3.21Å; Y42-D45 PolarHBondContact O-N 3.13Å; D45-D48 CarbonylContact O-C 3.6Å; D45-D48 PolarHBondContact O-N 2.86Å; D45-C49 PolarHBondContact O-N 3.44Å; D45-K50 HydrophobicContact CB-CB 4.06Å; D45-K50 WeakPolarHBondContact O-CB 3.28Å; D45-K50 PolarHBondContact O-N 2.99Å; D45-K50 WeakPolarHBondContact OD1-CD 3.1Å; D45-V51 HydrophobicContact CB-CG2 4.08Å
46L98.4Very high98.3Very high1 Ų144.5 Ų44.51%0.00525%0.245CC..Hα-helixtrans-70.8-35.6175.3-164.763.9000112.8Y42 R43 Q44 V51 Q54 P56 A57 M60 V136 Y173Y42-L46 PolarHBondContact O-N 2.83Å; R43-L46 PolarHBondContact O-N 3.38Å; Q44-L46 PolarHBondContact O-N 2.81Å; L46-V51 HydrophobicContact CB-CG2 4.07Å; L46-V51 HydrophobicContact CD1-CB 3.7Å; L46-V51 HydrophobicContact CD1-CG1 4.1Å; L46-V51 HydrophobicContact CD1-CG2 3.79Å; L46-Q54 HydrophobicContact CD1-CB 3.88Å; L46-P56 VanDerWaalsContact O-CA 3.27Å; L46-P56 WeakPolarHBondContact O-CA 3.24Å; L46-A57 HydrophobicContact CD2-CB 4.24Å; L46-A57 HydrophobicContact CG-CB 4.13Å; L46-A57 PolarHBondContact O-N 2.79Å; L46-M60 HydrophobicContact CD2-CE 3.53Å; L46-V136 HydrophobicContact CD2-CB 3.82Å; L46-V136 HydrophobicContact CD2-CG1 3.82Å; L46-V136 HydrophobicContact CD2-CG2 4.29Å; L46-Y173 HydrophobicContact CD2-CD1 3.76Å; L46-Y173 HydrophobicContact CD2-CE1 3.25Å; L46-Y173 HydrophobicContact CD2-CE2 4.2Å; L46-Y173 HydrophobicContact CD2-CG 4.43Å; L46-Y173 VanDerWaalsContact CD2-CZ 3.48Å; L46-Y173 HydrophobicContact CG-CE1 4.35Å
47V98.4Very high98.3Very high21 Ų2144.1 Ų44.113%0.12724%0.243CC..Hα-helixtrans-70.6-35.8172.5175.90000110.9R43 Q44 C49 A57 M60 K176R43-V47 PolarHBondContact O-N 2.86Å; Q44-V47 CarbonylContact O-C 3.55Å; Q44-V47 WeakPolarHBondContact O-CA 3.26Å; Q44-V47 WeakPolarHBondContact O-CB 3.47Å; Q44-V47 PolarHBondContact O-N 3.45Å; V47-C49 PolarHBondContact O-N 3.21Å; V47-A57 HydrophobicContact CG2-CB 4.02Å; V47-M60 HydrophobicContact CG2-CB 3.83Å; V47-M60 HydrophobicContact CG2-CG 3.68Å; V47-K176 WeakPolarHBondContact O-CE 3.16Å; V47-K176 PolarHBondContact O-NZ 2.9Å
48D97.8Very high98.3Very high31 Ų3146.7 Ų46.717%0.16625%0.246CC..THydrogen-bonded Turntrans-82.95.1-178.5-70.1-2.5000113.2Q44 D45 K50 P182Q44-D48 PolarHBondContact NE2-OD1 2.92Å; Q44-D48 WeakPolarHBondContact O-CB 3.49Å; Q44-D48 VanDerWaalsContact O-CG 3.31Å; Q44-D48 PolarHBondContact O-N 3.35Å; D45-D48 CarbonylContact O-C 3.6Å; D45-D48 PolarHBondContact O-N 2.86Å; D48-K50 VanDerWaalsContact C-N 3.28Å; D48-K50 HydrophobicContact CB-CD 3.83Å; D48-K50 HydrophobicContact CB-CG 4.03Å; D48-K50 PolarHBondContact O-N 3.48Å; D48-K50 IonicContact OD2-NZ 2.64Å; D48-K50 PolarHBondContact OD2-NZ 2.92Å; D48-P182 HydrophobicContact CB-CG 4.43Å
49C97.3Very high98.3Very high38 Ų3852.8 Ų52.826%0.25727%0.269SS..THydrogen-bonded Turntrans64.130177.6-40.60000114.2D45 V47 P56 C181D45-C49 PolarHBondContact O-N 3.44Å; V47-C49 PolarHBondContact O-N 3.21Å; C49-P56 HydrophobicContact CB-CB 4.09Å; C49-P56 WeakPolarHBondContact SG-CB 3.35Å; C49-C181 HydrophobicContact CB-CB 3.75Å; C49-C181 WeakPolarHBondContact CB-SG 3.45Å; C49-C181 VanDerWaalsContact SG-CA 3.58Å; C49-C181 WeakPolarHBondContact SG-CB 3.44Å; C49-C181 CovalentContact SG-SG 1.99Å; C49-C181 PolarHBondContact SG-SG 2.81Å
50K97.8Very high98.2Very high122 Ų12253.7 Ų53.753%0.5327%0.273SS..  trans-95.81.6-178.5-64.9169.1-178.61550113.5D45 D48D45-K50 HydrophobicContact CB-CB 4.06Å; D45-K50 WeakPolarHBondContact O-CB 3.28Å; D45-K50 PolarHBondContact O-N 2.99Å; D45-K50 WeakPolarHBondContact OD1-CD 3.1Å; D48-K50 VanDerWaalsContact C-N 3.28Å; D48-K50 HydrophobicContact CB-CD 3.83Å; D48-K50 HydrophobicContact CB-CG 4.03Å; D48-K50 PolarHBondContact O-N 3.48Å; D48-K50 IonicContact OD2-NZ 2.64Å; D48-K50 PolarHBondContact OD2-NZ 2.92Å
51V98.2Very high98.2Very high12 Ų1249.6 Ų49.67%0.07326%0.259CS..SBendtrans-104.5101.5-175.8-173.70000109.6D45 L46 G53 Q54 F113 H116D45-V51 HydrophobicContact CB-CG2 4.08Å; L46-V51 HydrophobicContact CB-CG2 4.07Å; L46-V51 HydrophobicContact CD1-CB 3.7Å; L46-V51 HydrophobicContact CD1-CG1 4.1Å; L46-V51 HydrophobicContact CD1-CG2 3.79Å; V51-G53 PolarHBondContact O-N 3.22Å; V51-Q54 HydrophobicContact CB-CB 4.5Å; V51-Q54 HydrophobicContact CG1-CB 4.09Å; V51-Q54 HydrophobicContact CG1-CG 4.1Å; V51-Q54 PolarHBondContact O-N 3.31Å; V51-F113 HydrophobicContact CG1-CE1 4.25Å; V51-F113 HydrophobicContact CG1-CZ 4.08Å; V51-F113 HydrophobicContact CG2-CE1 4.16Å; V51-F113 HydrophobicContact CG2-CZ 3.65Å; V51-H116 HydrophobicContact CG1-CB 4.4Å
52N97Very high98.1Very high140 Ų14052.5 Ų52.575%0.74927%0.271SS*.THydrogen-bonded Turntrans-60137.9-178.4-65-20.1000111.8Q54 H116N52-Q54 VanDerWaalsContact C-N 3.26Å; N52-Q54 PolarHBondContact O-N 3.21Å; N52-H116 PolarHBondContact O-CE1 3.38Å; N52-H116 VanDerWaalsContact O-CE1 3.23Å; N52-H116 PolarHBondContact O-ND1 2.87Å
53G97.3Very high98.1Very high79 Ų7951 Ų5181%0.81427%0.265SS*.THydrogen-bonded Turntrans77.61.817800000115.2V51V51-G53 PolarHBondContact O-N 3.22Å
54Q98.5Very high98.1Very high16 Ų1655.9 Ų55.98%0.07529%0.287CS..SBendtrans-120.6139.6175.6-66.3-60.5-4000110.7L46 V51 N52 H116 Y119L46-Q54 HydrophobicContact CD1-CB 3.88Å; V51-Q54 HydrophobicContact CB-CB 4.5Å; V51-Q54 HydrophobicContact CG1-CB 4.09Å; V51-Q54 HydrophobicContact CG1-CG 4.1Å; V51-Q54 PolarHBondContact O-N 3.31Å; N52-Q54 VanDerWaalsContact C-N 3.26Å; N52-Q54 PolarHBondContact O-N 3.21Å; Q54-H116 HydrophobicContact CG-CB 4.07Å; Q54-H116 PolarHBondContact NE2-O 2.89Å; Q54-Y119 PolarHBondContact NE2-O 3.5Å
55P98.4Very high98.1Very high30 Ų3052.8 Ų52.820%0.19527%0.271CS..PPolyproline II helixtrans-69146.8174.229.9-33.6000110Y121 Y173 V175P55-Y121 HydrophobicContact CG-CD1 3.48Å; P55-Y121 VanDerWaalsContact CG-CD1 3.48Å; P55-Y121 HydrophobicContact CG-CD2 3.82Å; P55-Y121 HydrophobicContact CG-CE1 3.97Å; P55-Y121 HydrophobicContact CG-CE2 4.31Å; P55-Y121 HydrophobicContact CG-CG 3.42Å; P55-Y121 VanDerWaalsContact CG-CG 3.42Å; P55-Y173 HydrophobicContact CG-CE2 4.48Å; P55-Y173 WeakPolarHBondContact O-CE2 3.46Å; P55-Y173 PolarHBondContact O-OH 3.34Å; P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.76Å; P55-V175 HydrophobicContact CB-CG2 3.68Å; P55-V175 HydrophobicContact CG-CG2 3.64Å
56P98.2Very high98Very high1 Ų152.7 Ų52.71%0.00627%0.271CS..PPolyproline II helixtrans-71.5139.7-175.429.9-35.2000111.3L46 C49 V175 K176 H178L46-P56 VanDerWaalsContact O-CA 3.27Å; L46-P56 WeakPolarHBondContact O-CA 3.24Å; C49-P56 HydrophobicContact CB-CB 4.09Å; C49-P56 WeakPolarHBondContact SG-CB 3.35Å; P56-V175 WeakPolarHBondContact O-CA 3.38Å; P56-K176 HydrophobicContact CB-CG 4.19Å; P56-K176 HydrophobicContact CG-CG 4.07Å; P56-K176 WeakPolarHBondContact CG-O 3.26Å; P56-K176 PolarHBondContact O-N 3.12Å; P56-H178 WeakPolarHBondContact CD-NE2 3.46Å
57A98.6Very high98Very high0 Ų057.3 Ų57.30%029%0.289CS..BIsolated β-bridgetrans-72.6135.4176.900000110.6L46 V47 Y59 M60 Y173 K174 K176L46-A57 HydrophobicContact CD2-CB 4.24Å; L46-A57 HydrophobicContact CG-CB 4.13Å; L46-A57 PolarHBondContact O-N 2.79Å; V47-A57 HydrophobicContact CG2-CB 4.02Å; A57-Y59 VanDerWaalsContact C-N 3.29Å; A57-M60 HydrophobicContact CB-CE 3.64Å; A57-M60 HydrophobicContact CB-CG 4.16Å; A57-Y173 HydrophobicContact CB-CD2 3.62Å; A57-Y173 HydrophobicContact CB-CE2 4.06Å; A57-Y173 HydrophobicContact CB-CG 3.96Å; A57-K174 WeakPolarHBondContact CA-O 3.31Å; A57-K176 WeakPolarHBondContact O-CD 3.39Å; A57-K176 WeakPolarHBondContact O-CE 3.48Å
58E98.3Very high97.9Very high111 Ų11161.7 Ų61.752%0.51931%0.312SS..SBendtrans-61.7-43.5169.6-176.6-173.3174.900110.6K174 K176E58-K174 HydrophobicContact CB-CB 4.23Å; E58-K174 WeakPolarHBondContact CB-O 3.28Å; E58-K174 PolarHBondContact N-O 3.09Å; E58-K174 VanDerWaalsContact OE2-CB 3.25Å; E58-K174 WeakPolarHBondContact OE2-CB 3.25Å; E58-K174 WeakPolarHBondContact OE2-CD 2.83Å; E58-K176 HydrophobicContact CB-CB 4.06Å; E58-K176 HydrophobicContact CG-CB 4.42Å
59Y98Very high97.9Very high149 Ų14960.3 Ų60.358%0.58430%0.304SS*.  trans-150.9143.5-176.7174.1-99000111.1A57 S61A57-Y59 VanDerWaalsContact C-N 3.29Å; Y59-S61 VanDerWaalsContact CE1-N 3.29Å; Y59-S61 WeakPolarHBondContact OH-CA 3.2Å
60M98.3Very high98Very high19 Ų1959 Ų599%0.09430%0.296CS..  trans-132.4125.9164.7-75.5-68.1173.200108.8R43 L46 V47 A57 K62 V136 A138 Y173R43-M60 HydrophobicContact CB-CB 4.04Å; R43-M60 HydrophobicContact CB-CG 4.07Å; R43-M60 HydrophobicContact CG-SD 4.45Å; L46-M60 HydrophobicContact CD2-CE 3.53Å; V47-M60 HydrophobicContact CG2-CB 3.83Å; V47-M60 HydrophobicContact CG2-CG 3.68Å; A57-M60 HydrophobicContact CB-CE 3.64Å; A57-M60 HydrophobicContact CB-CG 4.16Å; M60-K62 PolarHBondContact O-N 3.48Å; M60-V136 HydrophobicContact CE-CB 3.89Å; M60-V136 WeakPolarHBondContact CE-O 3.33Å; M60-A138 HydrophobicContact SD-CB 4.04Å; M60-Y173 HydrophobicContact CE-CD1 3.54Å; M60-Y173 HydrophobicContact CE-CE1 4.35Å; M60-Y173 HydrophobicContact CE-CG 3.68Å
61S97.9Very high98Very high8 Ų860.2 Ų60.26%0.05630%0.303CS..  trans-57.5139.6170.863.40000110.7R43 Y59 L63 A138 T140R43-S61 PolarHBondContact NE-O 2.96Å; R43-S61 VanDerWaalsContact NE-O 3.14Å; R43-S61 PolarHBondContact NH2-O 3.15Å; R43-S61 PolarHBondContact NH2-OG 3.36Å; Y59-S61 VanDerWaalsContact CE1-N 3.29Å; Y59-S61 WeakPolarHBondContact OH-CA 3.2Å; S61-L63 PolarHBondContact O-N 3.08Å; S61-L63 VanDerWaalsContact O-N 3.14Å; S61-A138 WeakPolarHBondContact CB-O 3.17Å; S61-A138 PolarHBondContact OG-O 2.94Å; S61-A138 VanDerWaalsContact OG-O 3.1Å; S61-T140 PolarHBondContact OG-O 2.64Å
62K97.8Very high98Very high169 Ų16962.1 Ų62.174%0.73531%0.312SS*.  trans-74.8102.8171.1-174178.2-176.5177.80108.2M60 K64M60-K62 PolarHBondContact O-N 3.48Å; K62-K64 PolarHBondContact O-N 3.21Å
63L98.7Very high98.1Very high0 Ų055.4 Ų55.40%028%0.276CS..  trans-53.6134.3-179.1-63.1179.8000111.5L36 H39 R40 S61 T140 T141 I143L36-L63 HydrophobicContact CD1-CB 4.02Å; H39-L63 HydrophobicContact CB-CD1 3.68Å; R40-L63 HydrophobicContact CG-CB 4.39Å; R40-L63 PolarHBondContact NE-O 3.44Å; R40-L63 PolarHBondContact NH2-O 3.34Å; S61-L63 PolarHBondContact O-N 3.08Å; S61-L63 VanDerWaalsContact O-N 3.14Å; L63-T140 HydrophobicContact CD2-CG2 3.82Å; L63-T140 VanDerWaalsContact CD2-O 3.28Å; L63-T140 WeakPolarHBondContact CD2-O 3.22Å; L63-T141 CarbonylContact C-O 3.54Å; L63-T141 WeakPolarHBondContact CA-O 3.45Å; L63-I143 HydrophobicContact CB-CG2 3.97Å; L63-I143 HydrophobicContact CD1-CB 4.29Å; L63-I143 HydrophobicContact CD1-CD1 4.26Å; L63-I143 HydrophobicContact CD1-CG2 4.11Å
64K97.9Very high98.1Very high108 Ų10855 Ų5547%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-105.7152.8167.962.6180173.8-174.70110.9K62 T141 D142 I143K62-K64 PolarHBondContact O-N 3.21Å; K64-T141 WeakPolarHBondContact CG-O 3.49Å; K64-T141 PolarHBondContact N-O 2.8Å; K64-D142 VanDerWaalsContact CE-CG 3.43Å; K64-D142 VanDerWaalsContact CE-OD1 3.27Å; K64-D142 WeakPolarHBondContact CE-OD1 3.43Å; K64-D142 WeakPolarHBondContact CE-OD2 3.03Å; K64-D142 WeakPolarHBondContact O-CA 3.33Å; K64-I143 PolarHBondContact O-N 3.49Å
65W98.2Very high98.1Very high30 Ų3057.3 Ų57.311%0.11427%0.271CS..EExtended strand (participates in β ladder)trans-74.7134.4176.3-166.5-99.4000110.4L28 S32 L36 Y67 A70 I143 C145L28-W65 HydrophobicContact CD1-CB 4.07Å; L28-W65 HydrophobicContact CD1-CD2 4.34Å; L28-W65 HydrophobicContact CD1-CG 4.14Å; L28-W65 HydrophobicContact CD2-CB 3.97Å; L28-W65 HydrophobicContact CD2-CD2 3.82Å; L28-W65 HydrophobicContact CD2-CG 3.42Å; L28-W65 VanDerWaalsContact CD2-CG 3.42Å; L28-W65 HydrophobicContact CG-CG 4.43Å; S32-W65 VanDerWaalsContact CB-CZ2 3.48Å; S32-W65 VanDerWaalsContact OG-CZ2 3.24Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.4Å; L36-W65 HydrophobicContact CB-CE3 4.09Å; L36-W65 HydrophobicContact CB-CZ3 4.34Å; L36-W65 HydrophobicContact CD2-CB 4.26Å; L36-W65 HydrophobicContact CD2-CE3 4.47Å; W65-Y67 AromaticContact CD1-CD1 3.7Å; W65-Y67 AromaticContact CD1-CE1 3.6Å; W65-Y67 AromaticContact CD1-CZ 3.88Å; W65-Y67 AromaticContact NE1-CD1 3.77Å; W65-Y67 AromaticContact NE1-CE1 3.88Å; W65-A70 HydrophobicContact CH2-CB 4.47Å; W65-A70 HydrophobicContact CZ2-CB 3.44Å; W65-A70 VanDerWaalsContact CZ2-CB 3.44Å; W65-I143 CarbonylContact C-O 3.58Å; W65-I143 WeakPolarHBondContact CA-O 3.48Å; W65-I143 HydrophobicContact CE3-CG2 4.34Å; W65-C145 HydrophobicContact CH2-CB 3.78Å; W65-C145 HydrophobicContact CZ3-CB 4.27Å
66N97.8Very high98.1Very high22 Ų2256.5 Ų56.512%0.11826%0.264CS..  trans-117.3112.1175.1-176-56.1000109.1D68 L69 A70 D142 I143N66-D68 PolarHBondContact OD1-N 2.77Å; N66-L69 HydrophobicContact CB-CB 4.13Å; N66-L69 HydrophobicContact CB-CD1 4.08Å; N66-L69 HydrophobicContact CB-CG 4.16Å; N66-L69 PolarHBondContact O-N 3.4Å; N66-L69 WeakPolarHBondContact OD1-CG 3.48Å; N66-L69 PolarHBondContact OD1-N 2.8Å; N66-A70 WeakPolarHBondContact O-CB 3.44Å; N66-A70 PolarHBondContact O-N 3.11Å; N66-D142 HydrophobicContact CB-CB 3.99Å; N66-D142 PolarHBondContact ND2-OD1 2.91Å; N66-I143 PolarHBondContact N-O 3.39Å
67Y96.6Very high98.1Very high98 Ų9856.4 Ų56.438%0.38426%0.264SS..Hα-helixtrans-66-38-174.6-68-76.1000112.9K26 L28 W65 A70 Q71K26-Y67 HydrophobicContact CB-CE1 4.04Å; K26-Y67 PolarHBondContact O-OH 3.27Å; L28-Y67 HydrophobicContact CD2-CE1 3.83Å; W65-Y67 AromaticContact CD1-CD1 3.7Å; W65-Y67 AromaticContact CD1-CE1 3.6Å; W65-Y67 AromaticContact CD1-CZ 3.88Å; W65-Y67 AromaticContact NE1-CD1 3.77Å; W65-Y67 AromaticContact NE1-CE1 3.88Å; Y67-A70 WeakPolarHBondContact O-CB 3.49Å; Y67-A70 PolarHBondContact O-N 2.72Å; Y67-Q71 PolarHBondContact O-N 2.7Å
68D97.2Very high98.1Very high113 Ų11359.9 Ų59.960%0.60429%0.288SS*.Hα-helixtrans-66.3-42.1179-61.6-18.4000111.5N66 A70 Q72N66-D68 PolarHBondContact OD1-N 2.77Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-Q72 WeakPolarHBondContact O-CG 3.37Å; D68-Q72 PolarHBondContact O-N 3.45Å; D68-Q72 PolarHBondContact O-NE2 2.95Å; D68-Q72 VanDerWaalsContact O-NE2 3.09Å
69L98.5Very high98Very high1 Ų162 Ų621%0.00529%0.293CS..Hα-helixtrans-64.7-40.1173.1-69.4-174.6000111N66 Q72 A73 F92 V95N66-L69 HydrophobicContact CB-CB 4.13Å; N66-L69 HydrophobicContact CB-CD1 4.08Å; N66-L69 HydrophobicContact CB-CG 4.16Å; N66-L69 PolarHBondContact O-N 3.4Å; N66-L69 WeakPolarHBondContact OD1-CG 3.48Å; N66-L69 PolarHBondContact OD1-N 2.8Å; L69-Q72 PolarHBondContact O-N 3.34Å; L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 2.98Å; L69-F92 HydrophobicContact CD1-CE2 4.46Å; L69-V95 HydrophobicContact CD2-CG1 3.89Å; L69-V95 HydrophobicContact CD2-CG2 4.2Å
70A98.5Very high98Very high11 Ų1156.4 Ų56.49%0.09128%0.275CS..Hα-helixtrans-64.8-42179.200000112.6W65 N66 Y67 D68 Q72 A73 Q74W65-A70 HydrophobicContact CH2-CB 4.47Å; W65-A70 HydrophobicContact CZ2-CB 3.44Å; W65-A70 VanDerWaalsContact CZ2-CB 3.44Å; N66-A70 WeakPolarHBondContact O-CB 3.44Å; N66-A70 PolarHBondContact O-N 3.11Å; Y67-A70 WeakPolarHBondContact O-CB 3.49Å; Y67-A70 PolarHBondContact O-N 2.72Å; D68-A70 VanDerWaalsContact C-N 3.33Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 2.87Å; A70-A73 PolarHBondContact O-N 2.97Å; A70-Q74 WeakPolarHBondContact O-CB 3.41Å; A70-Q74 PolarHBondContact O-N 3.11Å
71Q97.9Very high97.8Very high147 Ų14758.5 Ų58.569%0.68729%0.286SS*.Hα-helixtrans-60.6-44176-179.4178.5-34.400111.3Y67 Q74 S75Y67-Q71 PolarHBondContact O-N 2.7Å; Q71-Q74 PolarHBondContact O-N 3.37Å; Q71-S75 PolarHBondContact O-N 2.85Å
72Q98.3Very high97.6Very high52 Ų5263.5 Ų63.524%0.24331%0.312CS..Hα-helixtrans-68.5-39.8177.9-67.1175.678.500112.2D68 L69 A70 Q74 S75 L76 R88 Y160D68-Q72 WeakPolarHBondContact O-CG 3.37Å; D68-Q72 PolarHBondContact O-N 3.45Å; D68-Q72 PolarHBondContact O-NE2 2.95Å; D68-Q72 VanDerWaalsContact O-NE2 3.09Å; L69-Q72 PolarHBondContact O-N 3.34Å; A70-Q72 VanDerWaalsContact C-N 3.33Å; A70-Q72 PolarHBondContact O-N 2.87Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q72-S75 WeakPolarHBondContact O-CB 3.38Å; Q72-S75 PolarHBondContact O-N 3.34Å; Q72-L76 PolarHBondContact O-N 3.46Å; Q72-L76 VanDerWaalsContact O-N 3.11Å; Q72-R88 PolarHBondContact NE2-O 3.19Å; Q72-R88 PolarHBondContact OE1-O 3.27Å; Q72-Y160 HydrophobicContact CB-CD2 4.17Å; Q72-Y160 HydrophobicContact CB-CE2 3.82Å
73A98.6Very high97.4Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-63.8-40.4174.900000111.2L69 A70 L76 A77 V158 Y160L69-A73 VanDerWaalsContact O-CB 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 2.98Å; A70-A73 PolarHBondContact O-N 2.97Å; A73-L76 PolarHBondContact O-N 2.85Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.99Å; A73-V158 HydrophobicContact CB-CB 4.25Å; A73-V158 HydrophobicContact CB-CG1 3.83Å; A73-Y160 HydrophobicContact CB-CD2 3.81Å; A73-Y160 HydrophobicContact CB-CE2 4.07Å; A73-Y160 HydrophobicContact CB-CG 4.32Å
74Q98.4Very high97Very high69 Ų6970.6 Ų70.632%0.32234%0.34SS..Hα-helixtrans-63-42.3174.9-174.261.46000111.9A70 Q71 Q72 L76 A77 S78 G146 V147A70-Q74 WeakPolarHBondContact O-CB 3.41Å; A70-Q74 PolarHBondContact O-N 3.11Å; Q71-Q74 PolarHBondContact O-N 3.37Å; Q72-Q74 VanDerWaalsContact C-N 3.33Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 3.17Å; Q74-A77 PolarHBondContact O-N 3.01Å; Q74-S78 PolarHBondContact NE2-OG 2.86Å; Q74-S78 PolarHBondContact O-N 2.02Å; Q74-S78 PolarHBondContact O-OG 2.85Å; Q74-G146 VanDerWaalsContact OE1-CA 3.31Å; Q74-V147 PolarHBondContact NE2-O 3.33Å; Q74-V147 PolarHBondContact OE1-O 3.38Å
75S98.2Very high96.7Very high65 Ų6566 Ų6646%0.45532%0.324SS..Hα-helixtrans-57.4-47.3174.4-177.50000111.3Q71 Q72 S78 Y79Q71-S75 PolarHBondContact O-N 2.85Å; Q72-S75 WeakPolarHBondContact O-CB 3.38Å; Q72-S75 PolarHBondContact O-N 3.34Å; S75-S78 PolarHBondContact O-N 3.46Å; S75-Y79 WeakPolarHBondContact O-CD2 3.39Å; S75-Y79 WeakPolarHBondContact O-CE2 3.37Å
76L98.1Very high96.5Very high13 Ų1374.1 Ų74.17%0.06836%0.36CS..Hα-helixtrans-64.2-44.1176.9-17858.4000112.2Q72 A73 Q74 S78 Y79 I81 I99 V158 Y160Q72-L76 PolarHBondContact O-N 3.46Å; Q72-L76 VanDerWaalsContact O-N 3.11Å; A73-L76 PolarHBondContact O-N 2.85Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 3.17Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 2.97Å; L76-Y79 PolarHBondContact O-N 3.19Å; L76-Y79 VanDerWaalsContact O-N 3.15Å; L76-I81 HydrophobicContact CD1-CG1 4.49Å; L76-I99 HydrophobicContact CD2-CD1 3.61Å; L76-I99 HydrophobicContact CD2-CG1 4.35Å; L76-V158 HydrophobicContact CB-CG1 4.34Å; L76-V158 HydrophobicContact CB-CG2 4.39Å; L76-V158 HydrophobicContact CD2-CG1 4.01Å; L76-V158 HydrophobicContact CD2-CG2 4.37Å; L76-V158 HydrophobicContact CG-CG1 4.46Å; L76-V158 HydrophobicContact CG-CG2 4.17Å; L76-Y160 VanDerWaalsContact CD2-OH 3.26Å; L76-Y160 WeakPolarHBondContact CD2-OH 3.43Å
77A98.3Very high96.3Very high0 Ų074.3 Ų74.30%036%0.363CS..Hα-helixtrans-57.2-40.9-179.200000111.8A73 Q74 Y79 C80 A148 S156 V158A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 2.99Å; Q74-A77 PolarHBondContact O-N 3.01Å; A77-Y79 PolarHBondContact O-N 3.23Å; A77-C80 PolarHBondContact O-N 3.09Å; A77-A148 HydrophobicContact CB-CB 4.13Å; A77-A148 WeakPolarHBondContact O-CB 3.25Å; A77-S156 WeakPolarHBondContact CA-OG 2.8Å; A77-S156 WeakPolarHBondContact O-CB 3.41Å; A77-S156 PolarHBondContact O-OG 2.98Å; A77-V158 HydrophobicContact CB-CB 4.22Å; A77-V158 HydrophobicContact CB-CG2 3.79Å
78S97.9Very high96.2Very high73 Ų7379.9 Ų79.951%0.5138%0.383SS..Hα-helixtrans-64-21.2-179.4-62.70000114.6Q74 S75 L76 C80Q74-S78 PolarHBondContact NE2-OG 2.86Å; Q74-S78 PolarHBondContact O-N 2.02Å; Q74-S78 PolarHBondContact O-OG 2.85Å; S75-S78 PolarHBondContact O-N 3.46Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 2.97Å; S78-C80 PolarHBondContact O-N 3.1Å
79Y97.3Very high96.2Very high154 Ų15476.5 Ų76.560%0.60437%0.368SS*.THydrogen-bonded Turntrans-74.2-14.2174.1-71.6-75.1000113.2S75 L76 A77 I81S75-Y79 WeakPolarHBondContact O-CD2 3.39Å; S75-Y79 WeakPolarHBondContact O-CE2 3.37Å; L76-Y79 PolarHBondContact O-N 3.19Å; L76-Y79 VanDerWaalsContact O-N 3.15Å; A77-Y79 PolarHBondContact O-N 3.23Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.28Å
80C97.1Very high96.1Very high33 Ų3387.3 Ų87.322%0.22342%0.416CS..THydrogen-bonded Turntrans54.343.3-179.4-65.20000113.3A77 S78 F101 C150A77-C80 PolarHBondContact O-N 3.09Å; S78-C80 PolarHBondContact O-N 3.1Å; C80-F101 VanDerWaalsContact C-CZ 3.42Å; C80-F101 WeakPolarHBondContact O-CZ 3.38Å; C80-C150 WeakPolarHBondContact CA-SG 3.45Å; C80-C150 HydrophobicContact CB-CB 3.68Å; C80-C150 WeakPolarHBondContact CB-SG 3.38Å; C80-C150 WeakPolarHBondContact SG-CA 3.49Å; C80-C150 WeakPolarHBondContact SG-CB 3.48Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 3.4Å
81I95.5Very high96Very high62 Ų6292.1 Ų92.132%0.31843%0.434SS..  trans-127.5145176.660.8178.8000111.8L76 Y79 R83L76-I81 HydrophobicContact CD1-CG1 4.49Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.28Å; I81-R83 HydrophobicContact CD1-CB 3.92Å; I81-R83 HydrophobicContact CG1-CB 4.13Å; I81-R83 PolarHBondContact O-N 2.97Å
82L93.2Very high96Very high113 Ų11386.1 Ų86.159%0.59241%0.406SS*.  trans-87.776.3169-61.7-179.1000109.6I99 F101L82-I99 HydrophobicContact CD2-CG2 3.78Å; L82-F101 HydrophobicContact CD1-CD2 4.01Å; L82-F101 HydrophobicContact CD1-CE2 4.13Å; L82-F101 HydrophobicContact CD2-CD1 4.16Å; L82-F101 HydrophobicContact CD2-CD2 3.81Å; L82-F101 HydrophobicContact CD2-CE1 4.08Å; L82-F101 HydrophobicContact CD2-CE2 3.79Å; L82-F101 HydrophobicContact CD2-CG 3.99Å; L82-F101 HydrophobicContact CD2-CZ 3.88Å; L82-F101 HydrophobicContact CG-CD2 3.76Å; L82-F101 HydrophobicContact CG-CE2 3.48Å; L82-F101 VanDerWaalsContact CG-CE2 3.48Å; L82-F101 HydrophobicContact CG-CG 4.44Å; L82-F101 HydrophobicContact CG-CZ 3.9Å
83R92.9Very high95.9Very high160 Ų16090.8 Ų90.860%0.60444%0.438SS*.  trans-131.4136.2177.3-174.4174.766132.1-3110.2I81 G85 I99I81-R83 HydrophobicContact CD1-CB 3.92Å; I81-R83 HydrophobicContact CG1-CB 4.13Å; I81-R83 PolarHBondContact O-N 2.97Å; R83-G85 PolarHBondContact O-N 3.34Å; R83-I99 WeakPolarHBondContact O-CD1 3.14Å
84Q90.5Very high95.9Very high158 Ų15896.3 Ų96.374%0.73846%0.459SS*.  trans-55.2128.4173-70.5-173.74.900111Q97Q84-Q97 VanDerWaalsContact CA-OE1 3.24Å
85G91.8Very high95.9Very high13 Ų1393.4 Ų93.413%0.13445%0.446CS..  trans-80.8167.8170.800000112.3R83 P87 Q97 Y160R83-G85 PolarHBondContact O-N 3.34Å; G85-P87 WeakPolarHBondContact O-CD 3.05Å; G85-Q97 PolarHBondContact O-NE2 2.96Å; G85-Y160 WeakPolarHBondContact CA-OH 3.43Å
86K93.5Very high95.9Very high199 Ų19990.4 Ų90.487%0.86543%0.425SS*.  trans-120.769.1171.7-64.5-175.9-179.9-176.80109.5
87P94.2Very high95.9Very high27 Ų2791.3 Ų91.318%0.17543%0.429CS..  trans-59.3139.2178.724.1-33.7000111.4G85 V95 Y160G85-P87 WeakPolarHBondContact O-CD 3.05Å; P87-V95 HydrophobicContact CB-CB 4.18Å; P87-V95 HydrophobicContact CB-CG1 3.83Å; P87-V95 HydrophobicContact CG-CB 3.67Å; P87-V95 HydrophobicContact CG-CG1 3.48Å; P87-V95 VanDerWaalsContact CG-CG1 3.48Å; P87-Y160 HydrophobicContact CB-CD1 4.4Å; P87-Y160 HydrophobicContact CB-CD2 3.71Å; P87-Y160 HydrophobicContact CB-CE1 4.38Å; P87-Y160 HydrophobicContact CB-CE2 3.67Å; P87-Y160 HydrophobicContact CB-CG 4.09Å; P87-Y160 HydrophobicContact CG-CD1 4.04Å; P87-Y160 HydrophobicContact CG-CD2 4.24Å; P87-Y160 HydrophobicContact CG-CE1 3.98Å; P87-Y160 HydrophobicContact CG-CE2 4.19Å; P87-Y160 HydrophobicContact CG-CG 4.18Å
88R95Very high95.9Very high214 Ų21491.4 Ų91.481%0.80843%0.429SS*.  trans-100.4139172.5-61.9179.6-179.5138.3-2.4109.2Q72Q72-R88 PolarHBondContact NE2-O 3.19Å; Q72-R88 PolarHBondContact OE1-O 3.27Å
89S97.1Very high95.9Very high42 Ų4289 Ų8929%0.29441%0.411SS..  trans-143.4134.7172.7-1740000110K91 F92S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact OG-N 2.9Å; S89-F92 WeakPolarHBondContact OG-CD2 3.43Å; S89-F92 PolarHBondContact OG-N 3.02Å; S89-F92 VanDerWaalsContact OG-N 3.11Å
90K95.5Very high96Very high229 Ų22982 Ų82100%0.99639%0.385SS*.SBendtrans-75.6-21.6168.5-64.8-177179.3-179.90112.1
91K97.2Very high96Very high111 Ų11182.5 Ų82.548%0.48338%0.383SS..SBendtrans-97.1-31.4-173-178.2179.6168.6-1650113.1S89 D142S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact OG-N 2.9Å; K91-D142 VanDerWaalsContact NZ-CG 3.34Å; K91-D142 IonicContact NZ-OD1 3.19Å; K91-D142 PolarHBondContact NZ-OD1 3.12Å; K91-D142 IonicContact NZ-OD2 3.98Å; K91-D142 PolarHBondContact NZ-OD2 3.44Å
92F97.7Very high96.1Very high22 Ų2282.9 Ų82.910%0.09638%0.383CS..  trans-121.1126-174.5-52.8-64.1000110.5L69 S89 W94 V95 D142 G162 P163L69-F92 HydrophobicContact CD1-CE2 4.46Å; S89-F92 WeakPolarHBondContact OG-CD2 3.43Å; S89-F92 PolarHBondContact OG-N 3.02Å; S89-F92 VanDerWaalsContact OG-N 3.11Å; F92-W94 VanDerWaalsContact C-N 3.3Å; F92-V95 HydrophobicContact CB-CG2 3.98Å; F92-D142 HydrophobicContact CE2-CB 3.74Å; F92-D142 HydrophobicContact CZ-CB 3.65Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.27Å; F92-G162 VanDerWaalsContact CE1-C 3.44Å; F92-G162 WeakPolarHBondContact CZ-O 3.45Å; F92-P163 HydrophobicContact CD1-CB 4.18Å
93T96.5Very high96.3Very high150 Ų15082.1 Ų82.192%0.9239%0.387SS*.SBendtrans-67.5-33.317551.70000112.2
94W97.3Very high96.6Very high116 Ų11677.3 Ų77.344%0.43938%0.376SS..  trans-127.6136.6176174.5-124.1000110.2F92 G164 G165 W167F92-W94 VanDerWaalsContact C-N 3.3Å; W94-G164 PolarHBondContact O-N 3.1Å; W94-G165 PolarHBondContact NE1-O 3.46Å; W94-W167 HydrophobicContact CB-CH2 4.49Å; W94-W167 HydrophobicContact CB-CZ2 3.92Å; W94-W167 AromaticContact CD1-NE1 3.91Å; W94-W167 HydrophobicContact CG-CZ2 4.18Å
95V98.6Very high96.9Very high8 Ų870.1 Ų70.15%0.04834%0.342CS..  trans-126.5120177.6175.40000108.6L69 P87 F92 Y160 Y161L69-V95 HydrophobicContact CD2-CG1 3.89Å; L69-V95 HydrophobicContact CD2-CG2 4.2Å; P87-V95 HydrophobicContact CB-CB 4.18Å; P87-V95 HydrophobicContact CB-CG1 3.83Å; P87-V95 HydrophobicContact CG-CB 3.67Å; P87-V95 HydrophobicContact CG-CG1 3.48Å; P87-V95 VanDerWaalsContact CG-CG1 3.48Å; F92-V95 HydrophobicContact CB-CG2 3.98Å; V95-Y160 HydrophobicContact CG1-CG 4.2Å; V95-Y161 CarbonylContact C-O 3.37Å; V95-Y161 VanDerWaalsContact CA-O 3.32Å; V95-Y161 WeakPolarHBondContact CA-O 3.49Å
96G98.3Very high97.3Very high1 Ų172.2 Ų72.21%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-77164.8178.400000111.7Q134 Y160 Y161G96-Q134 VanDerWaalsContact CA-OE1 3.23Å; G96-Y160 CarbonylContact O-C 3.58Å; G96-Y160 VanDerWaalsContact O-CA 3.26Å; G96-Y160 WeakPolarHBondContact O-CA 3.27Å; G96-Y161 PolarHBondContact N-O 3.42Å; G96-Y161 PolarHBondContact O-N 3.34Å
97Q98.3Very high97.5Very high33 Ų3364.2 Ų64.215%0.15432%0.319CS..EExtended strand (participates in β ladder)trans-148.5144.2-177.865.1-173.6-58.500113.4Q84 G85 C159 Y160Q84-Q97 VanDerWaalsContact CA-OE1 3.24Å; G85-Q97 PolarHBondContact O-NE2 2.96Å; Q97-C159 CarbonylContact C-O 3.47Å; Q97-C159 VanDerWaalsContact CA-O 3.28Å; Q97-C159 WeakPolarHBondContact CA-O 3.37Å; Q97-Y160 HydrophobicContact CB-CD1 3.61Å; Q97-Y160 HydrophobicContact CB-CE1 3.7Å
98N98.7Very high97.7Very high1 Ų163 Ų631%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-128.9135.9166-73.30.7000108.8W112 H131 Q134 M135 V158 C159 Y161N98-W112 HydrophobicContact CB-CD2 3.84Å; N98-W112 HydrophobicContact CB-CE3 3.93Å; N98-W112 HydrophobicContact CB-CH2 3.75Å; N98-W112 HydrophobicContact CB-CZ2 3.66Å; N98-W112 HydrophobicContact CB-CZ3 3.89Å; N98-H131 PolarHBondContact ND2-O 3.02Å; N98-H131 VanDerWaalsContact ND2-O 3.11Å; N98-H131 WeakPolarHBondContact OD1-CA 3.48Å; N98-Q134 WeakPolarHBondContact OD1-CB 3.4Å; N98-M135 WeakPolarHBondContact ND2-CG 3.28Å; N98-V158 WeakPolarHBondContact O-CA 3.34Å; N98-C159 PolarHBondContact N-O 2.79Å; N98-C159 PolarHBondContact O-N 3.42Å; N98-Y161 HydrophobicContact CB-CE2 3.87Å; N98-Y161 PolarHBondContact ND2-OH 2.83Å; N98-Y161 VanDerWaalsContact ND2-OH 3.17Å
99I98.3Very high97.9Very high23 Ų2352.8 Ų52.812%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-138.9133.9-177.3-54.3171000108.6L76 L82 R83 V157 V158L76-I99 HydrophobicContact CD2-CD1 3.61Å; L76-I99 HydrophobicContact CD2-CG1 4.35Å; L82-I99 HydrophobicContact CD2-CG2 3.78Å; R83-I99 WeakPolarHBondContact O-CD1 3.14Å; I99-V157 WeakPolarHBondContact CA-O 3.43Å; I99-V158 HydrophobicContact CG1-CG1 4.22Å; I99-V158 HydrophobicContact CG1-CG2 4.24Å; I99-V158 HydrophobicContact CG2-CG2 4.07Å
100A97.7Very high98Very high8 Ų852.9 Ų52.97%0.06627%0.27CS..EExtended strand (participates in β ladder)trans-157.2160.4175.600000113.3F102 W112 V157A100-F102 HydrophobicContact CB-CD2 3.6Å; A100-F102 HydrophobicContact CB-CE2 3.6Å; A100-W112 HydrophobicContact CB-CZ2 3.72Å; A100-V157 PolarHBondContact N-O 3.11Å; A100-V157 PolarHBondContact O-N 3.35Å
101F98.2Very high98.1Very high43 Ų4343.4 Ų43.419%0.18923%0.234CC..EExtended strand (participates in β ladder)trans-109.3124.8166.1-63.1-36.2000110.8C80 L82 Y153 L155C80-F101 VanDerWaalsContact C-CZ 3.42Å; C80-F101 WeakPolarHBondContact O-CZ 3.38Å; L82-F101 HydrophobicContact CD1-CD2 4.01Å; L82-F101 HydrophobicContact CD1-CE2 4.13Å; L82-F101 HydrophobicContact CD2-CD1 4.16Å; L82-F101 HydrophobicContact CD2-CD2 3.81Å; L82-F101 HydrophobicContact CD2-CE1 4.08Å; L82-F101 HydrophobicContact CD2-CE2 3.79Å; L82-F101 HydrophobicContact CD2-CG 3.99Å; L82-F101 HydrophobicContact CD2-CZ 3.88Å; L82-F101 HydrophobicContact CG-CD2 3.76Å; L82-F101 HydrophobicContact CG-CE2 3.48Å; L82-F101 VanDerWaalsContact CG-CE2 3.48Å; L82-F101 HydrophobicContact CG-CG 4.44Å; L82-F101 HydrophobicContact CG-CZ 3.9Å; F101-Y153 HydrophobicContact CD2-CD1 4.17Å; F101-Y153 HydrophobicContact CD2-CD2 4.09Å; F101-Y153 AromaticContact CD2-CG 3.73Å; F101-Y153 HydrophobicContact CD2-CG 3.73Å; F101-Y153 HydrophobicContact CE2-CD1 4.38Å; F101-Y153 AromaticContact CE2-CD2 3.68Å; F101-Y153 HydrophobicContact CE2-CD2 3.68Å; F101-Y153 HydrophobicContact CE2-CE2 4.15Å; F101-Y153 AromaticContact CE2-CG 3.81Å; F101-Y153 HydrophobicContact CE2-CG 3.81Å; F101-Y153 HydrophobicContact CG-CG 4.23Å; F101-Y153 HydrophobicContact CZ-CD2 4Å; F101-Y153 HydrophobicContact CZ-CG 4.44Å; F101-L155 VanDerWaalsContact CA-O 3.29Å; F101-L155 WeakPolarHBondContact CA-O 3.3Å
102F98.1Very high98.2Very high70 Ų7038.3 Ų38.331%0.30721%0.212SC..EExtended strand (participates in β ladder)trans-151.7160.3178.3-81-84.1000111.3A100 T104 S107 A108 A111 L155A100-F102 HydrophobicContact CB-CD2 3.6Å; A100-F102 HydrophobicContact CB-CE2 3.6Å; F102-T104 VanDerWaalsContact C-N 3.26Å; F102-T104 PolarHBondContact O-N 3.47Å; F102-S107 WeakPolarHBondContact CB-OG 3.33Å; F102-A108 HydrophobicContact CB-CB 3.96Å; F102-A108 HydrophobicContact CD2-CB 3.65Å; F102-A108 HydrophobicContact CE2-CB 4.49Å; F102-A108 HydrophobicContact CG-CB 4.04Å; F102-A111 HydrophobicContact CE1-CB 3.79Å; F102-A111 HydrophobicContact CE2-CB 3.7Å; F102-A111 HydrophobicContact CZ-CB 3.17Å; F102-L155 PolarHBondContact N-O 3.17Å; F102-L155 WeakPolarHBondContact O-CA 3.46Å; F102-L155 VanDerWaalsContact O-CB 3.3Å; F102-L155 WeakPolarHBondContact O-CB 3.33Å; F102-L155 PolarHBondContact O-N 2.79Å
103S97.2Very high98.3Very high97 Ų9737.8 Ų37.868%0.67821%0.21SC*.SBendtrans-64.5-30.1176.956.70000113.3
104T98.1Very high98.4Very high59 Ų5933.9 Ų33.936%0.36218%0.183SC..SBendtrans-140.4160.2-179.975.10000112.7F102 N106 S107 A108F102-T104 VanDerWaalsContact C-N 3.26Å; F102-T104 PolarHBondContact O-N 3.47Å; T104-N106 VanDerWaalsContact C-N 3.27Å; T104-N106 PolarHBondContact O-N 3.36Å; T104-N106 PolarHBondContact OG1-N 3.46Å; T104-S107 PolarHBondContact N-OG 3.07Å; T104-S107 PolarHBondContact O-N 3.27Å; T104-S107 PolarHBondContact O-OG 3.4Å; T104-S107 PolarHBondContact OG1-N 3.13Å; T104-S107 VanDerWaalsContact OG1-N 3.08Å; T104-S107 PolarHBondContact OG1-OG 3.45Å; T104-A108 PolarHBondContact O-N 3.25Å; T104-A108 VanDerWaalsContact O-N 3.12Å
105I98.6Very high98.4Very high7 Ų729.9 Ų29.94%0.03617%0.17CC..Hα-helixtrans-57.5-39169.8-70.1172.1000111.7N31 K34 L35 L38 A108 V109 V147 L155N31-I105 HydrophobicContact CB-CD1 3.66Å; N31-I105 WeakPolarHBondContact OD1-CD1 3.26Å; K34-I105 HydrophobicContact CD-CB 4.31Å; K34-I105 HydrophobicContact CD-CG2 4.09Å; K34-I105 HydrophobicContact CG-CG2 4.04Å; L35-I105 HydrophobicContact CD2-CG2 3.65Å; L35-I105 HydrophobicContact CG-CG2 3.8Å; L38-I105 HydrophobicContact CD1-CG2 3.96Å; I105-A108 PolarHBondContact O-N 3.49Å; I105-V109 HydrophobicContact CG2-CG2 4.37Å; I105-V109 WeakPolarHBondContact O-CG2 3.48Å; I105-V109 PolarHBondContact O-N 3.49Å; I105-V109 VanDerWaalsContact O-N 3.11Å; I105-V147 HydrophobicContact CD1-CG2 4.04Å; I105-V147 HydrophobicContact CG1-CG2 4.25Å; I105-L155 HydrophobicContact CG1-CD1 4.25Å
106N98.7Very high98.4Very high57 Ų5730.4 Ų30.431%0.30517%0.171SC..Hα-helixtrans-60.7-56.7177.8-79.693.6000110.1K34 T104 A108 V109 D110K34-N106 WeakPolarHBondContact CE-OD1 3.35Å; K34-N106 PolarHBondContact NZ-OD1 3.13Å; T104-N106 VanDerWaalsContact C-N 3.27Å; T104-N106 PolarHBondContact O-N 3.36Å; T104-N106 PolarHBondContact OG1-N 3.46Å; N106-A108 PolarHBondContact O-N 3.4Å; N106-A108 VanDerWaalsContact O-N 3.14Å; N106-V109 PolarHBondContact O-N 3.42Å; N106-V109 VanDerWaalsContact O-N 3.13Å; N106-D110 VanDerWaalsContact O-CB 3.22Å; N106-D110 WeakPolarHBondContact O-CB 3.21Å; N106-D110 PolarHBondContact O-N 3.3Å
107S98.5Very high98.5Very high31 Ų3137.2 Ų37.222%0.21720%0.201CC..Hα-helixtrans-56.3-35.4-179.145.80000113.1F102 T104 A111F102-S107 WeakPolarHBondContact CB-OG 3.33Å; T104-S107 PolarHBondContact N-OG 3.07Å; T104-S107 PolarHBondContact O-N 3.27Å; T104-S107 PolarHBondContact O-OG 3.4Å; T104-S107 PolarHBondContact OG1-N 3.13Å; T104-S107 VanDerWaalsContact OG1-N 3.08Å; T104-S107 PolarHBondContact OG1-OG 3.45Å; S107-A111 WeakPolarHBondContact O-CB 2.95Å; S107-A111 PolarHBondContact O-N 2.86Å
108A98.6Very high98.5Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-65.2-53.1175.300000112.9F102 T104 I105 N106 D110 A111 W112 V157F102-A108 HydrophobicContact CB-CB 3.96Å; F102-A108 HydrophobicContact CD2-CB 3.65Å; F102-A108 HydrophobicContact CE2-CB 4.49Å; F102-A108 HydrophobicContact CG-CB 4.04Å; T104-A108 PolarHBondContact O-N 3.25Å; T104-A108 VanDerWaalsContact O-N 3.12Å; I105-A108 PolarHBondContact O-N 3.49Å; N106-A108 PolarHBondContact O-N 3.4Å; N106-A108 VanDerWaalsContact O-N 3.14Å; A108-D110 VanDerWaalsContact C-N 3.35Å; A108-A111 PolarHBondContact O-N 3.4Å; A108-W112 PolarHBondContact O-N 2.88Å; A108-W112 VanDerWaalsContact O-N 3.09Å; A108-V157 HydrophobicContact CB-CB 4.04Å; A108-V157 HydrophobicContact CB-CG1 4.37Å; A108-V157 HydrophobicContact CB-CG2 3.85Å
109V98.8Very high98.5Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-69.5-37.3-177.1-176.40000110.9L35 L38 Y42 I105 N106 W112 F113 M135L35-V109 HydrophobicContact CD2-CG2 3.69Å; L38-V109 HydrophobicContact CB-CB 4.44Å; L38-V109 HydrophobicContact CB-CG1 3.89Å; L38-V109 HydrophobicContact CD1-CB 4.15Å; L38-V109 HydrophobicContact CD1-CG1 4.5Å; L38-V109 HydrophobicContact CD1-CG2 4.12Å; Y42-V109 HydrophobicContact CD2-CG1 3.99Å; Y42-V109 HydrophobicContact CE2-CG1 3.95Å; I105-V109 HydrophobicContact CG2-CG2 4.37Å; I105-V109 WeakPolarHBondContact O-CG2 3.48Å; I105-V109 PolarHBondContact O-N 3.49Å; I105-V109 VanDerWaalsContact O-N 3.11Å; N106-V109 PolarHBondContact O-N 3.42Å; N106-V109 VanDerWaalsContact O-N 3.13Å; V109-W112 HydrophobicContact CG2-CE3 4.39Å; V109-W112 HydrophobicContact CG2-CZ3 4.34Å; V109-W112 PolarHBondContact O-N 3.48Å; V109-F113 WeakPolarHBondContact O-CB 3.06Å; V109-F113 PolarHBondContact O-N 3.07Å; V109-M135 HydrophobicContact CG1-CE 3.48Å; V109-M135 VanDerWaalsContact CG1-CE 3.48Å; V109-M135 HydrophobicContact CG1-SD 4.48Å
110D98.7Very high98.5Very high45 Ų4543 Ų4324%0.24123%0.232CC..Hα-helixtrans-65.9-39.4176.6-611.7000110.4Y42 N106 A108 F113 N114Y42-D110 VanDerWaalsContact OH-CG 3.3Å; Y42-D110 PolarHBondContact OH-OD1 3.46Å; N106-D110 VanDerWaalsContact O-CB 3.22Å; N106-D110 WeakPolarHBondContact O-CB 3.21Å; N106-D110 PolarHBondContact O-N 3.3Å; A108-D110 VanDerWaalsContact C-N 3.35Å; D110-F113 PolarHBondContact O-N 3.34Å; D110-N114 WeakPolarHBondContact O-CB 3.36Å; D110-N114 VanDerWaalsContact O-CG 3.22Å; D110-N114 PolarHBondContact O-N 2.95Å; D110-N114 PolarHBondContact O-ND2 3.02Å
111A98.7Very high98.5Very high30 Ų3043.9 Ų43.925%0.24823%0.234CC..Hα-helixtrans-63.6-48.1175.400000111.8F102 S107 A108 F113 N114 E115F102-A111 HydrophobicContact CE1-CB 3.79Å; F102-A111 HydrophobicContact CE2-CB 3.7Å; F102-A111 HydrophobicContact CZ-CB 3.17Å; S107-A111 WeakPolarHBondContact O-CB 2.95Å; S107-A111 PolarHBondContact O-N 2.86Å; A108-A111 PolarHBondContact O-N 3.4Å; A111-F113 VanDerWaalsContact C-N 3.3Å; A111-F113 PolarHBondContact O-N 3.23Å; A111-N114 PolarHBondContact O-N 2.99Å; A111-E115 PolarHBondContact O-N 2.8Å
112W98.8Very high98.5Very high4 Ų446.4 Ų46.42%0.01526%0.256CS..Hα-helixtrans-58.6-42.2174.1-66.2-28.1000112.1N98 A100 A108 V109 E115 H131 Y132 M135 V157 C159N98-W112 HydrophobicContact CB-CD2 3.84Å; N98-W112 HydrophobicContact CB-CE3 3.93Å; N98-W112 HydrophobicContact CB-CH2 3.75Å; N98-W112 HydrophobicContact CB-CZ2 3.66Å; N98-W112 HydrophobicContact CB-CZ3 3.89Å; A100-W112 HydrophobicContact CB-CZ2 3.72Å; A108-W112 PolarHBondContact O-N 2.88Å; A108-W112 VanDerWaalsContact O-N 3.09Å; V109-W112 HydrophobicContact CG2-CE3 4.39Å; V109-W112 HydrophobicContact CG2-CZ3 4.34Å; V109-W112 PolarHBondContact O-N 3.48Å; W112-E115 WeakPolarHBondContact O-CB 3.49Å; W112-E115 PolarHBondContact O-N 2.79Å; W112-H131 HydrophobicContact CB-CB 3.71Å; W112-H131 VanDerWaalsContact CD1-CB 3.43Å; W112-H131 AromaticContact CD1-CD2 3.93Å; W112-H131 AromaticContact CD1-CG 3.4Å; W112-H131 VanDerWaalsContact CD1-CG 3.4Å; W112-H131 AromaticContact CD1-ND1 3.65Å; W112-H131 HydrophobicContact CG-CB 3.67Å; W112-H131 AromaticContact NE1-CD2 3.91Å; W112-H131 AromaticContact NE1-CG 3.86Å; W112-Y132 WeakPolarHBondContact O-CA 3.39Å; W112-Y132 WeakPolarHBondContact O-CB 3.39Å; W112-Y132 PolarHBondContact O-N 3.5Å; W112-M135 HydrophobicContact CB-SD 3.43Å; W112-M135 WeakPolarHBondContact CB-SD 3.44Å; W112-M135 HydrophobicContact CE3-SD 4.39Å; W112-M135 HydrophobicContact CG-SD 4.49Å; W112-V157 HydrophobicContact CH2-CB 4.24Å; W112-V157 HydrophobicContact CH2-CG1 3.79Å; W112-V157 HydrophobicContact CZ3-CG1 4.3Å; W112-C159 HydrophobicContact CZ3-CB 4.41Å
113F98.8Very high98.4Very high11 Ų1148 Ų485%0.04827%0.272CS..Hα-helixtrans-70.5-39.6-179.6-169.9-104.7000112.4Y42 V51 V109 D110 A111 E115 H116 Y132 M135 V136Y42-F113 HydrophobicContact CD1-CB 4.38Å; Y42-F113 AromaticContact CD1-CD1 3.31Å; Y42-F113 HydrophobicContact CD1-CD1 3.31Å; Y42-F113 AromaticContact CD1-CD2 3.87Å; Y42-F113 HydrophobicContact CD1-CD2 3.87Å; Y42-F113 AromaticContact CD1-CE1 3.33Å; Y42-F113 HydrophobicContact CD1-CE1 3.33Å; Y42-F113 AromaticContact CD1-CE2 3.9Å; Y42-F113 HydrophobicContact CD1-CE2 3.9Å; Y42-F113 AromaticContact CD1-CG 3.57Å; Y42-F113 HydrophobicContact CD1-CG 3.57Å; Y42-F113 AromaticContact CD1-CZ 3.62Å; Y42-F113 HydrophobicContact CD1-CZ 3.62Å; Y42-F113 HydrophobicContact CD2-CB 4.04Å; Y42-F113 HydrophobicContact CD2-CD1 4.47Å; Y42-F113 HydrophobicContact CD2-CD2 4.2Å; Y42-F113 AromaticContact CD2-CG 3.97Å; Y42-F113 HydrophobicContact CD2-CG 3.97Å; Y42-F113 HydrophobicContact CE1-CB 4.35Å; Y42-F113 AromaticContact CE1-CD1 3.35Å; Y42-F113 HydrophobicContact CE1-CD1 3.35Å; Y42-F113 AromaticContact CE1-CE1 3.68Å; Y42-F113 HydrophobicContact CE1-CE1 3.68Å; Y42-F113 AromaticContact CE1-CG 3.84Å; Y42-F113 HydrophobicContact CE1-CG 3.84Å; Y42-F113 HydrophobicContact CE1-CZ 4.41Å; Y42-F113 HydrophobicContact CE2-CB 4.01Å; Y42-F113 HydrophobicContact CE2-CD1 4.5Å; Y42-F113 HydrophobicContact CE2-CG 4.22Å; Y42-F113 HydrophobicContact CG-CB 4.23Å; Y42-F113 AromaticContact CG-CD1 3.91Å; Y42-F113 HydrophobicContact CG-CD1 3.91Å; Y42-F113 AromaticContact CG-CD2 3.65Å; Y42-F113 HydrophobicContact CG-CD2 3.65Å; Y42-F113 HydrophobicContact CG-CE1 4.13Å; Y42-F113 AromaticContact CG-CE2 3.89Å; Y42-F113 HydrophobicContact CG-CE2 3.89Å; Y42-F113 AromaticContact CG-CG 3.63Å; Y42-F113 HydrophobicContact CG-CG 3.63Å; Y42-F113 HydrophobicContact CG-CZ 4.1Å; Y42-F113 AromaticContact CZ-CD1 3.97Å; V51-F113 HydrophobicContact CG1-CE1 4.25Å; V51-F113 HydrophobicContact CG1-CZ 4.08Å; V51-F113 HydrophobicContact CG2-CE1 4.16Å; V51-F113 HydrophobicContact CG2-CZ 3.65Å; V109-F113 WeakPolarHBondContact O-CB 3.06Å; V109-F113 PolarHBondContact O-N 3.07Å; D110-F113 PolarHBondContact O-N 3.34Å; A111-F113 VanDerWaalsContact C-N 3.3Å; A111-F113 PolarHBondContact O-N 3.23Å; F113-E115 PolarHBondContact O-N 3.37Å; F113-E115 VanDerWaalsContact O-N 3.08Å; F113-H116 WeakPolarHBondContact O-CB 3.39Å; F113-H116 PolarHBondContact O-CD2 3.31Å; F113-H116 PolarHBondContact O-N 3.17Å; F113-Y132 AromaticContact CD2-CD2 3.97Å; F113-Y132 HydrophobicContact CD2-CD2 3.97Å; F113-Y132 HydrophobicContact CD2-CE2 4.14Å; F113-Y132 HydrophobicContact CE2-CD2 4.13Å; F113-Y132 AromaticContact CE2-CE2 3.81Å; F113-Y132 HydrophobicContact CE2-CE2 3.81Å; F113-Y132 HydrophobicContact CZ-CE2 4.39Å; F113-Y132 WeakPolarHBondContact O-CD2 3.32Å; F113-M135 HydrophobicContact CB-CE 4.05Å; F113-M135 HydrophobicContact CB-SD 4.15Å; F113-M135 HydrophobicContact CD2-CE 4.17Å; F113-V136 HydrophobicContact CE2-CG1 4Å
114N98.7Very high98.5Very high68 Ų6844.8 Ų44.836%0.36425%0.247SC..Hα-helixtrans-61.3-16.6179-85.1-51.8000113.7D110 A111 H116 K117D110-N114 WeakPolarHBondContact O-CB 3.36Å; D110-N114 VanDerWaalsContact O-CG 3.22Å; D110-N114 PolarHBondContact O-N 2.95Å; D110-N114 PolarHBondContact O-ND2 3.02Å; A111-N114 PolarHBondContact O-N 2.99Å; N114-H116 PolarHBondContact O-N 2.83Å; N114-H116 VanDerWaalsContact O-N 3.09Å; N114-K117 WeakPolarHBondContact O-CB 3.44Å; N114-K117 WeakPolarHBondContact O-CG 3.49Å; N114-K117 PolarHBondContact O-N 2.99Å; N114-K117 VanDerWaalsContact O-N 3.15Å; N114-K117 PolarHBondContact OD1-NZ 3.49Å; N114-K117 VanDerWaalsContact OD1-NZ 3.13Å
115E98.8Very high98.4Very high32 Ų3246.3 Ų46.315%0.1525%0.253CS..G310 helixtrans-59.9-12.7168.4-70.4-179.4-172.500113.6A111 W112 F113 K117 L118 Y119 C129 V130 H131 Y132A111-E115 PolarHBondContact O-N 2.8Å; W112-E115 WeakPolarHBondContact O-CB 3.49Å; W112-E115 PolarHBondContact O-N 2.79Å; F113-E115 PolarHBondContact O-N 3.37Å; F113-E115 VanDerWaalsContact O-N 3.08Å; E115-K117 PolarHBondContact O-N 3.29Å; E115-K117 VanDerWaalsContact O-N 3.07Å; E115-L118 WeakPolarHBondContact O-CA 3.47Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 3.05Å; E115-Y119 PolarHBondContact O-N 3.36Å; E115-C129 HydrophobicContact CB-CB 4.08Å; E115-C129 WeakPolarHBondContact O-CB 3.25Å; E115-C129 WeakPolarHBondContact OE2-CA 3.45Å; E115-V130 PolarHBondContact OE2-N 3.02Å; E115-H131 IonicContact OE1-CE1 3.74Å; E115-H131 IonicContact OE1-CG 3.55Å; E115-H131 IonicContact OE1-ND1 2.69Å; E115-H131 PolarHBondContact OE1-ND1 3.42Å; E115-H131 WeakPolarHBondContact OE2-CA 3.26Å; E115-H131 VanDerWaalsContact OE2-CB 3.26Å; E115-H131 WeakPolarHBondContact OE2-CB 3.35Å; E115-H131 IonicContact OE2-CG 3.71Å; E115-H131 PolarHBondContact OE2-N 2.86Å; E115-H131 IonicContact OE2-ND1 3.53Å; E115-Y132 PolarHBondContact OE2-N 3.33Å
116H98.7Very high98.4Very high18 Ų1847.4 Ų47.48%0.08326%0.261CS..G310 helixtrans-52.6-28.1169.482.584.1000112.7V51 N52 Q54 F113 N114 L118 Y119 Y132V51-H116 HydrophobicContact CG1-CB 4.4Å; N52-H116 PolarHBondContact O-CE1 3.38Å; N52-H116 VanDerWaalsContact O-CE1 3.23Å; N52-H116 PolarHBondContact O-ND1 2.87Å; Q54-H116 HydrophobicContact CG-CB 4.07Å; Q54-H116 PolarHBondContact NE2-O 2.89Å; F113-H116 WeakPolarHBondContact O-CB 3.39Å; F113-H116 PolarHBondContact O-CD2 3.31Å; F113-H116 PolarHBondContact O-N 3.17Å; N114-H116 PolarHBondContact O-N 2.83Å; N114-H116 VanDerWaalsContact O-N 3.09Å; H116-L118 PolarHBondContact O-N 3.24Å; H116-Y119 PolarHBondContact O-N 3.09Å; H116-Y132 HydrophobicContact CB-CD1 4.1Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 3.97Å; H116-Y132 HydrophobicContact CB-CE2 3.33Å; H116-Y132 HydrophobicContact CB-CG 3.87Å
117K98.4Very high98.2Very high145 Ų14549 Ų4963%0.6327%0.274SS*.G310 helixtrans-69.6-19.3177.7-60.7170.9-172.9168.90112.7N114 E115N114-K117 WeakPolarHBondContact O-CB 3.44Å; N114-K117 WeakPolarHBondContact O-CG 3.49Å; N114-K117 PolarHBondContact O-N 2.99Å; N114-K117 VanDerWaalsContact O-N 3.15Å; N114-K117 PolarHBondContact OD1-NZ 3.49Å; N114-K117 VanDerWaalsContact OD1-NZ 3.13Å; E115-K117 PolarHBondContact O-N 3.29Å; E115-K117 VanDerWaalsContact O-N 3.07Å
118L98.4Very high98.1Very high90 Ų9055.3 Ų55.347%0.47130%0.298SS..G310 helixtrans-1031-179-55.7176.8000112.1E115 H116 P127 K128 C129E115-L118 WeakPolarHBondContact O-CA 3.47Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 3.05Å; H116-L118 PolarHBondContact O-N 3.24Å; L118-P127 WeakPolarHBondContact O-CD 3.29Å; L118-K128 HydrophobicContact CD1-CB 4.03Å; L118-K128 WeakPolarHBondContact CD1-O 3.43Å; L118-C129 HydrophobicContact CB-CB 4.21Å
119Y98.6Very high98.1Very high9 Ų955.3 Ų55.34%0.03530%0.298CS..  trans-100.2122.2177.6-174.9-132.8000111Q54 E115 H116 Y121 N124 N125 C126 C129 Y132 K133 P172Q54-Y119 PolarHBondContact NE2-O 3.5Å; E115-Y119 PolarHBondContact O-N 3.36Å; H116-Y119 PolarHBondContact O-N 3.09Å; Y119-Y121 AromaticContact CE1-CD2 3.66Å; Y119-Y121 HydrophobicContact CE1-CD2 3.66Å; Y119-Y121 HydrophobicContact CE1-CG 4.19Å; Y119-N124 WeakPolarHBondContact CE2-OD1 3.44Å; Y119-N124 PolarHBondContact OH-OD1 2.99Å; Y119-N125 WeakPolarHBondContact CD2-O 3.19Å; Y119-C126 HydrophobicContact CD2-CB 3.93Å; Y119-C126 HydrophobicContact CE2-CB 4.26Å; Y119-C129 WeakPolarHBondContact CB-SG 3.41Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.43Å; Y119-Y132 HydrophobicContact CD1-CD1 4.24Å; Y119-Y132 AromaticContact CD1-CE1 3.7Å; Y119-Y132 HydrophobicContact CD1-CE1 3.7Å; Y119-Y132 HydrophobicContact CE1-CE1 4.49Å; Y119-Y132 HydrophobicContact CG-CD1 4.39Å; Y119-Y132 HydrophobicContact CG-CE1 4.27Å; Y119-K133 HydrophobicContact CD2-CD 4.05Å; Y119-K133 HydrophobicContact CD2-CG 4.21Å; Y119-K133 HydrophobicContact CE2-CD 3.74Å; Y119-K133 HydrophobicContact CE2-CG 4.18Å; Y119-K133 HydrophobicContact CG-CG 4.46Å; Y119-P172 HydrophobicContact CE1-CG 4Å; Y119-P172 WeakPolarHBondContact OH-CD 3.49Å
120N98.3Very high98.1Very high78 Ų7858.8 Ų58.842%0.41732%0.319SS..BIsolated β-bridgetrans-94.5103.2165.9-173.6-34.8000109S122 V123 N124 N125N120-S122 PolarHBondContact O-N 2.67Å; N120-S122 PolarHBondContact OD1-N 2.69Å; N120-S122 VanDerWaalsContact OD1-N 3.09Å; N120-V123 HydrophobicContact CB-CG2 3.94Å; N120-V123 PolarHBondContact OD1-N 3.15Å; N120-N124 CarbonylContact O-C 3.55Å; N120-N124 VanDerWaalsContact O-CA 3.29Å; N120-N124 WeakPolarHBondContact O-CA 3.26Å; N120-N124 PolarHBondContact O-N 3.22Å; N120-N125 HydrophobicContact CB-CB 4.36Å; N120-N125 PolarHBondContact N-O 3.49Å; N120-N125 PolarHBondContact O-N 2.92Å
121Y98.5Very high98.1Very high28 Ų2859 Ų5911%0.1132%0.318CS..THydrogen-bonded Turntrans-61-45.2-179.3-173.3-80.4000111.9P55 Y119 V123 N124 K171 Y173 V175P55-Y121 HydrophobicContact CG-CD1 3.48Å; P55-Y121 VanDerWaalsContact CG-CD1 3.48Å; P55-Y121 HydrophobicContact CG-CD2 3.82Å; P55-Y121 HydrophobicContact CG-CE1 3.97Å; P55-Y121 HydrophobicContact CG-CE2 4.31Å; P55-Y121 HydrophobicContact CG-CG 3.42Å; P55-Y121 VanDerWaalsContact CG-CG 3.42Å; Y119-Y121 AromaticContact CE1-CD2 3.66Å; Y119-Y121 HydrophobicContact CE1-CD2 3.66Å; Y119-Y121 HydrophobicContact CE1-CG 4.19Å; Y121-V123 PolarHBondContact O-N 2.83Å; Y121-N124 PolarHBondContact O-N 3.47Å; Y121-N124 VanDerWaalsContact O-N 3.08Å; Y121-K171 HydrophobicContact CD1-CD 3.99Å; Y121-K171 HydrophobicContact CE1-CD 3.44Å; Y121-K171 VanDerWaalsContact CE1-CD 3.44Å; Y121-K171 HydrophobicContact CE2-CB 4.26Å; Y121-K171 HydrophobicContact CE2-CD 4.16Å; Y121-K171 WeakPolarHBondContact O-CE 3.5Å; Y121-Y173 HydrophobicContact CD2-CE1 4.17Å; Y121-Y173 AromaticContact CD2-CE2 3.97Å; Y121-Y173 HydrophobicContact CD2-CE2 3.97Å; Y121-Y173 AromaticContact CD2-CZ 3.65Å; Y121-Y173 HydrophobicContact CE2-CD1 4.34Å; Y121-Y173 AromaticContact CE2-CD2 3.82Å; Y121-Y173 HydrophobicContact CE2-CD2 3.82Å; Y121-Y173 AromaticContact CE2-CE1 3.95Å; Y121-Y173 HydrophobicContact CE2-CE1 3.95Å; Y121-Y173 AromaticContact CE2-CE2 3.43Å; Y121-Y173 HydrophobicContact CE2-CE2 3.43Å; Y121-Y173 VanDerWaalsContact CE2-CE2 3.43Å; Y121-Y173 HydrophobicContact CE2-CG 4.28Å; Y121-Y173 AromaticContact CE2-CZ 3.51Å; Y121-Y173 PolarHBondContact OH-O 3.18Å; Y121-V175 HydrophobicContact CD1-CG2 4.17Å; Y121-V175 HydrophobicContact CE1-CG2 3.33Å; Y121-V175 HydrophobicContact CE2-CG2 4.24Å; Y121-V175 VanDerWaalsContact CZ-CG2 3.41Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.32Å
122S97.4Very high98.1Very high95 Ų9557.6 Ų57.666%0.66431%0.306SS*.THydrogen-bonded Turntrans-55.9-49-172.6-57.10000112.3N120 K171N120-S122 PolarHBondContact O-N 2.67Å; N120-S122 PolarHBondContact OD1-N 2.69Å; N120-S122 VanDerWaalsContact OD1-N 3.09Å; S122-K171 PolarHBondContact O-NZ 3.26Å
123V97.5Very high98.1Very high104 Ų10458.1 Ų58.163%0.6331%0.309SS*.THydrogen-bonded Turntrans-96.35.2178.4-58.70000113.7N120 Y121 N125N120-V123 HydrophobicContact CB-CG2 3.94Å; N120-V123 PolarHBondContact OD1-N 3.15Å; Y121-V123 PolarHBondContact O-N 2.83Å; V123-N125 HydrophobicContact CG2-CB 3.79Å; V123-N125 PolarHBondContact O-N 3.37Å
124N97.7Very high98.1Very high30 Ų3057.6 Ų57.616%0.1631%0.307CS..THydrogen-bonded Turntrans52.535.1-176.2-164.921.4000114.4Y119 N120 Y121 K133 N169 E170 K171Y119-N124 WeakPolarHBondContact CE2-OD1 3.44Å; Y119-N124 PolarHBondContact OH-OD1 2.99Å; N120-N124 CarbonylContact O-C 3.55Å; N120-N124 VanDerWaalsContact O-CA 3.29Å; N120-N124 WeakPolarHBondContact O-CA 3.26Å; N120-N124 PolarHBondContact O-N 3.22Å; Y121-N124 PolarHBondContact O-N 3.47Å; Y121-N124 VanDerWaalsContact O-N 3.08Å; N124-K133 PolarHBondContact OD1-NZ 3.31Å; N124-N169 PolarHBondContact ND2-O 3.32Å; N124-E170 VanDerWaalsContact ND2-C 3.29Å; N124-E170 PolarHBondContact ND2-O 2.89Å; N124-E170 PolarHBondContact OD1-O 3.01Å; N124-K171 HydrophobicContact CB-CG 4.07Å
125N97.9Very high98.1Very high91 Ų9154.5 Ų54.549%0.48729%0.29SS..BIsolated β-bridgetrans-90.7129.1-179.9-17934.3000111.3Y119 N120 V123Y119-N125 WeakPolarHBondContact CD2-O 3.19Å; N120-N125 HydrophobicContact CB-CB 4.36Å; N120-N125 PolarHBondContact N-O 3.49Å; N120-N125 PolarHBondContact O-N 2.92Å; V123-N125 HydrophobicContact CG2-CB 3.79Å; V123-N125 PolarHBondContact O-N 3.37Å
126C97.1Very high98.1Very high30 Ų3053 Ų5320%0.20328%0.283CS..  trans-140.276.7-173.6-173.40000112.4Y119 C129 V130 K133Y119-C126 HydrophobicContact CD2-CB 3.93Å; Y119-C126 HydrophobicContact CE2-CB 4.26Å; C126-C129 WeakPolarHBondContact CA-SG 3.42Å; C126-C129 HydrophobicContact CB-CB 4.41Å; C126-C129 WeakPolarHBondContact CB-SG 3.34Å; C126-C129 WeakPolarHBondContact SG-CA 3.44Å; C126-C129 WeakPolarHBondContact SG-CB 3.33Å; C126-C129 PolarHBondContact SG-N 3.17Å; C126-C129 VanDerWaalsContact SG-N 3.39Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 2.9Å; C126-V130 PolarHBondContact SG-N 2.82Å; C126-K133 HydrophobicContact CB-CD 3.75Å; C126-K133 VanDerWaalsContact SG-CD 3.53Å
127P95.7Very high98.1Very high90 Ų9052.3 Ų52.358%0.58428%0.28SS*.SBendtrans-66.3-41.4-178.724.1-33.9000113.1L118L118-P127 WeakPolarHBondContact O-CD 3.29Å
128K96.9Very high98.1Very high163 Ų16346 Ų4671%0.70926%0.255SS*.SBendtrans-145.650.2-177.5-65.8-176.6-178.7177.30110.7L118L118-K128 HydrophobicContact CD1-CB 4.03Å; L118-K128 WeakPolarHBondContact CD1-O 3.43Å
129C98.2Very high98.1Very high0 Ų048.1 Ų48.10%026%0.26CS..  trans-133.115.4-172.887.10000116E115 L118 Y119 C126 H131 Y132 K133E115-C129 HydrophobicContact CB-CB 4.08Å; E115-C129 WeakPolarHBondContact O-CB 3.25Å; E115-C129 WeakPolarHBondContact OE2-CA 3.45Å; L118-C129 HydrophobicContact CB-CB 4.21Å; Y119-C129 WeakPolarHBondContact CB-SG 3.41Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.43Å; C126-C129 WeakPolarHBondContact CA-SG 3.42Å; C126-C129 HydrophobicContact CB-CB 4.41Å; C126-C129 WeakPolarHBondContact CB-SG 3.34Å; C126-C129 WeakPolarHBondContact SG-CA 3.44Å; C126-C129 WeakPolarHBondContact SG-CB 3.33Å; C126-C129 PolarHBondContact SG-N 3.17Å; C126-C129 VanDerWaalsContact SG-N 3.39Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 2.9Å; C129-H131 PolarHBondContact O-N 2.92Å; C129-Y132 PolarHBondContact O-N 2.96Å; C129-K133 PolarHBondContact O-N 2.98Å
130V98Very high98.1Very high73 Ų7347.7 Ų47.744%0.44226%0.259SS..Hα-helixtrans-65.4-27-171.7-64.40000112.4E115 C126 Q134 N166E115-V130 PolarHBondContact OE2-N 3.02Å; C126-V130 PolarHBondContact SG-N 2.82Å; V130-Q134 WeakPolarHBondContact O-CB 3.44Å; V130-Q134 PolarHBondContact O-N 3.33Å; V130-Q134 VanDerWaalsContact O-N 3.1Å; V130-N166 PolarHBondContact O-ND2 3.34Å
131H98.7Very high98.1Very high50 Ų5046.3 Ų46.323%0.23125%0.253CS..Hα-helixtrans-73.7-43.1176.1-54.5119.3000110.7N98 W112 E115 C129 Q134 M135N98-H131 PolarHBondContact ND2-O 3.02Å; N98-H131 VanDerWaalsContact ND2-O 3.11Å; N98-H131 WeakPolarHBondContact OD1-CA 3.48Å; W112-H131 HydrophobicContact CB-CB 3.71Å; W112-H131 VanDerWaalsContact CD1-CB 3.43Å; W112-H131 AromaticContact CD1-CD2 3.93Å; W112-H131 AromaticContact CD1-CG 3.4Å; W112-H131 VanDerWaalsContact CD1-CG 3.4Å; W112-H131 AromaticContact CD1-ND1 3.65Å; W112-H131 HydrophobicContact CG-CB 3.67Å; W112-H131 AromaticContact NE1-CD2 3.91Å; W112-H131 AromaticContact NE1-CG 3.86Å; E115-H131 IonicContact OE1-CE1 3.74Å; E115-H131 IonicContact OE1-CG 3.55Å; E115-H131 IonicContact OE1-ND1 2.69Å; E115-H131 PolarHBondContact OE1-ND1 3.42Å; E115-H131 WeakPolarHBondContact OE2-CA 3.26Å; E115-H131 VanDerWaalsContact OE2-CB 3.26Å; E115-H131 WeakPolarHBondContact OE2-CB 3.35Å; E115-H131 IonicContact OE2-CG 3.71Å; E115-H131 PolarHBondContact OE2-N 2.86Å; E115-H131 IonicContact OE2-ND1 3.53Å; C129-H131 PolarHBondContact O-N 2.92Å; H131-Q134 PolarHBondContact O-N 3.39Å; H131-M135 WeakPolarHBondContact O-CG 3.42Å; H131-M135 PolarHBondContact O-N 3.24Å
132Y98.9Very high98.2Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-58.3-54172.4166.3-103.6000111W112 F113 E115 H116 Y119 C129 Q134 M135 V136W112-Y132 WeakPolarHBondContact O-CA 3.39Å; W112-Y132 WeakPolarHBondContact O-CB 3.39Å; W112-Y132 PolarHBondContact O-N 3.5Å; F113-Y132 AromaticContact CD2-CD2 3.97Å; F113-Y132 HydrophobicContact CD2-CD2 3.97Å; F113-Y132 HydrophobicContact CD2-CE2 4.14Å; F113-Y132 HydrophobicContact CE2-CD2 4.13Å; F113-Y132 AromaticContact CE2-CE2 3.81Å; F113-Y132 HydrophobicContact CE2-CE2 3.81Å; F113-Y132 HydrophobicContact CZ-CE2 4.39Å; F113-Y132 WeakPolarHBondContact O-CD2 3.32Å; E115-Y132 PolarHBondContact OE2-N 3.33Å; H116-Y132 HydrophobicContact CB-CD1 4.1Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 3.97Å; H116-Y132 HydrophobicContact CB-CE2 3.33Å; H116-Y132 HydrophobicContact CB-CG 3.87Å; Y119-Y132 HydrophobicContact CD1-CD1 4.24Å; Y119-Y132 AromaticContact CD1-CE1 3.7Å; Y119-Y132 HydrophobicContact CD1-CE1 3.7Å; Y119-Y132 HydrophobicContact CE1-CE1 4.49Å; Y119-Y132 HydrophobicContact CG-CD1 4.39Å; Y119-Y132 HydrophobicContact CG-CE1 4.27Å; C129-Y132 PolarHBondContact O-N 2.96Å; Y132-Q134 PolarHBondContact O-N 3.42Å; Y132-Q134 VanDerWaalsContact O-N 3.17Å; Y132-M135 WeakPolarHBondContact O-CB 3.46Å; Y132-M135 PolarHBondContact O-N 3.45Å; Y132-V136 HydrophobicContact CD1-CG2 4.18Å; Y132-V136 HydrophobicContact CD2-CG1 4.05Å; Y132-V136 HydrophobicContact CD2-CG2 4.26Å; Y132-V136 HydrophobicContact CE1-CG2 3.71Å; Y132-V136 HydrophobicContact CE2-CB 4.32Å; Y132-V136 HydrophobicContact CE2-CG1 3.53Å; Y132-V136 HydrophobicContact CE2-CG2 3.82Å; Y132-V136 HydrophobicContact CG-CG2 4.44Å; Y132-V136 WeakPolarHBondContact O-CG2 2.99Å; Y132-V136 PolarHBondContact O-N 2.97Å
133K98.6Very high98.2Very high15 Ų1540.7 Ų40.77%0.06522%0.218CC..Hα-helixtrans-54.9-38.4-179.5-76.8-170.866.8169.20111.9Y119 N124 C126 C129 W137 N166 E170 P172Y119-K133 HydrophobicContact CD2-CD 4.05Å; Y119-K133 HydrophobicContact CD2-CG 4.21Å; Y119-K133 HydrophobicContact CE2-CD 3.74Å; Y119-K133 HydrophobicContact CE2-CG 4.18Å; Y119-K133 HydrophobicContact CG-CG 4.46Å; N124-K133 PolarHBondContact OD1-NZ 3.31Å; C126-K133 HydrophobicContact CB-CD 3.75Å; C126-K133 VanDerWaalsContact SG-CD 3.53Å; C129-K133 PolarHBondContact O-N 2.98Å; K133-W137 PolarHBondContact O-N 3.49Å; K133-N166 WeakPolarHBondContact CB-OD1 3.42Å; K133-E170 PolarHBondContact NZ-O 3.35Å; K133-P172 HydrophobicContact CG-CG 4.47Å
134Q98.8Very high98.3Very high1 Ų135.8 Ų35.81%0.00519%0.188CC..Hα-helixtrans-67.2-44.1175-176.85577.100112.6G96 N98 V130 H131 Y132 V136 W137 Y161G96-Q134 VanDerWaalsContact CA-OE1 3.23Å; N98-Q134 WeakPolarHBondContact OD1-CB 3.4Å; V130-Q134 WeakPolarHBondContact O-CB 3.44Å; V130-Q134 PolarHBondContact O-N 3.33Å; V130-Q134 VanDerWaalsContact O-N 3.1Å; H131-Q134 PolarHBondContact O-N 3.39Å; Y132-Q134 PolarHBondContact O-N 3.42Å; Y132-Q134 VanDerWaalsContact O-N 3.17Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.04Å; Q134-W137 PolarHBondContact O-N 3.25Å; Q134-Y161 HydrophobicContact CG-CD1 4.35Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE2 3.62Å; Q134-Y161 HydrophobicContact CG-CG 3.76Å; Q134-Y161 VanDerWaalsContact NE2-CB 3.3Å
135M98.9Very high98.3Very high2 Ų234.5 Ų34.51%0.0118%0.181CC..Hα-helixtrans-59.9-39.1178.3-73.3-178.868.700112.4Y42 R43 N98 V109 W112 F113 H131 Y132Y42-M135 HydrophobicContact CD2-CE 3.93Å; R43-M135 PolarHBondContact NH1-O 3.25Å; N98-M135 WeakPolarHBondContact ND2-CG 3.28Å; V109-M135 HydrophobicContact CG1-CE 3.48Å; V109-M135 VanDerWaalsContact CG1-CE 3.48Å; V109-M135 HydrophobicContact CG1-SD 4.48Å; W112-M135 HydrophobicContact CB-SD 3.43Å; W112-M135 WeakPolarHBondContact CB-SD 3.44Å; W112-M135 HydrophobicContact CE3-SD 4.39Å; W112-M135 HydrophobicContact CG-SD 4.49Å; F113-M135 HydrophobicContact CB-CE 4.05Å; F113-M135 HydrophobicContact CB-SD 4.15Å; F113-M135 HydrophobicContact CD2-CE 4.17Å; H131-M135 WeakPolarHBondContact O-CG 3.42Å; H131-M135 PolarHBondContact O-N 3.24Å; Y132-M135 WeakPolarHBondContact O-CB 3.46Å; Y132-M135 PolarHBondContact O-N 3.45Å
136V98.8Very high98.4Very high1 Ų130.2 Ų30.21%0.00616%0.159CC..THydrogen-bonded Turntrans-98.821.8-177.1-57.30000113.2L46 M60 F113 Y132 Q134 A138 P172 Y173L46-V136 HydrophobicContact CD2-CB 3.82Å; L46-V136 HydrophobicContact CD2-CG1 3.82Å; L46-V136 HydrophobicContact CD2-CG2 4.29Å; M60-V136 HydrophobicContact CE-CB 3.89Å; M60-V136 WeakPolarHBondContact CE-O 3.33Å; F113-V136 HydrophobicContact CE2-CG1 4Å; Y132-V136 HydrophobicContact CD1-CG2 4.18Å; Y132-V136 HydrophobicContact CD2-CG1 4.05Å; Y132-V136 HydrophobicContact CD2-CG2 4.26Å; Y132-V136 HydrophobicContact CE1-CG2 3.71Å; Y132-V136 HydrophobicContact CE2-CB 4.32Å; Y132-V136 HydrophobicContact CE2-CG1 3.53Å; Y132-V136 HydrophobicContact CE2-CG2 3.82Å; Y132-V136 HydrophobicContact CG-CG2 4.44Å; Y132-V136 WeakPolarHBondContact O-CG2 2.99Å; Y132-V136 PolarHBondContact O-N 2.97Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.04Å; V136-A138 PolarHBondContact O-N 3.48Å; V136-A138 VanDerWaalsContact O-N 3.14Å; V136-P172 HydrophobicContact CG2-CB 4.02Å; V136-P172 HydrophobicContact CG2-CG 4.07Å; V136-Y173 HydrophobicContact CB-CD1 4.33Å; V136-Y173 HydrophobicContact CB-CE1 4.41Å; V136-Y173 HydrophobicContact CG2-CD1 4.08Å; V136-Y173 HydrophobicContact CG2-CE1 3.93Å
137W98.9Very high98.4Very high3 Ų329.8 Ų29.81%0.01116%0.155CC..  trans-72.5110175-156.7-98.2000110.4R43 K133 Q134 K139 T140 G165 N166 W167 E170 P172R43-W137 PolarHBondContact NH1-O 2.97Å; R43-W137 PolarHBondContact NH2-O 2.64Å; K133-W137 PolarHBondContact O-N 3.49Å; Q134-W137 PolarHBondContact O-N 3.25Å; W137-K139 VanDerWaalsContact C-N 3.26Å; W137-K139 PolarHBondContact O-N 3.09Å; W137-T140 WeakPolarHBondContact O-CB 3.45Å; W137-T140 PolarHBondContact O-N 3.14Å; W137-T140 VanDerWaalsContact O-N 3.15Å; W137-G165 VanDerWaalsContact CE2-CA 3.45Å; W137-N166 VanDerWaalsContact CE3-N 3.26Å; W137-W167 HydrophobicContact CH2-CB 4.06Å; W137-W167 HydrophobicContact CZ2-CB 4.01Å; W137-W167 AromaticContact CZ2-CD1 3.56Å; W137-W167 HydrophobicContact CZ2-CG 4.18Å; W137-E170 HydrophobicContact CH2-CB 3.72Å; W137-E170 HydrophobicContact CZ2-CB 4.1Å; W137-P172 CarbonylContact C-O 3.57Å; W137-P172 WeakPolarHBondContact CA-O 3.29Å; W137-P172 HydrophobicContact CD2-CB 4.38Å; W137-P172 VanDerWaalsContact CE3-CA 3.48Å; W137-P172 HydrophobicContact CE3-CB 3.6Å; W137-P172 HydrophobicContact CZ3-CB 3.98Å
138A98.8Very high98.6Very high14 Ų1426 Ų2612%0.11613%0.132CC..THydrogen-bonded Turntrans-60.2-36.4-172.200000112.6R43 M60 S61 V136 T140 P172R43-A138 PolarHBondContact NH2-O 2.87Å; M60-A138 HydrophobicContact SD-CB 4.04Å; S61-A138 WeakPolarHBondContact CB-O 3.17Å; S61-A138 PolarHBondContact OG-O 2.94Å; S61-A138 VanDerWaalsContact OG-O 3.1Å; V136-A138 PolarHBondContact O-N 3.48Å; V136-A138 VanDerWaalsContact O-N 3.14Å; A138-T140 VanDerWaalsContact C-N 3.34Å; A138-T140 PolarHBondContact O-N 3.3Å; A138-P172 PolarHBondContact N-O 2.78Å
139K98.4Very high98.6Very high133 Ų13324.6 Ų24.658%0.57813%0.132SC*.THydrogen-bonded Turntrans-74.2-18.1-179.4-63.4175.8-177.7166.60113.8W137 T141 P163 E170W137-K139 VanDerWaalsContact C-N 3.26Å; W137-K139 PolarHBondContact O-N 3.09Å; K139-T141 PolarHBondContact O-N 3.41Å; K139-P163 WeakPolarHBondContact O-CD 3.43Å; K139-P163 VanDerWaalsContact O-CG 3.29Å; K139-P163 WeakPolarHBondContact O-CG 3.47Å; K139-E170 IonicContact NZ-OE2 2.78Å; K139-E170 PolarHBondContact NZ-OE2 2.84Å
140T98.9Very high98.6Very high0 Ų024.7 Ų24.70%013%0.132CC..  trans-66.9121.3178.2-66.60000109.7S61 L63 W137 A138 Y161 P163S61-T140 PolarHBondContact OG-O 2.64Å; L63-T140 HydrophobicContact CD2-CG2 3.82Å; L63-T140 VanDerWaalsContact CD2-O 3.28Å; L63-T140 WeakPolarHBondContact CD2-O 3.22Å; W137-T140 WeakPolarHBondContact O-CB 3.45Å; W137-T140 PolarHBondContact O-N 3.14Å; W137-T140 VanDerWaalsContact O-N 3.15Å; A138-T140 VanDerWaalsContact C-N 3.34Å; A138-T140 PolarHBondContact O-N 3.3Å; T140-Y161 HydrophobicContact CG2-CD1 4.16Å; T140-Y161 HydrophobicContact CG2-CG 4.44Å; T140-P163 WeakPolarHBondContact CB-O 3.36Å; T140-P163 PolarHBondContact OG1-O 2.52Å
141T98.7Very high98.4Very high50 Ų5030.5 Ų30.531%0.30716%0.155SC..  trans-105.3-26.1-178.555.40000113.2L63 K64 K139 G162L63-T141 CarbonylContact C-O 3.54Å; L63-T141 WeakPolarHBondContact CA-O 3.45Å; K64-T141 WeakPolarHBondContact CG-O 3.49Å; K64-T141 PolarHBondContact N-O 2.8Å; K139-T141 PolarHBondContact O-N 3.41Å; T141-G162 PolarHBondContact N-O 3.29Å; T141-G162 PolarHBondContact OG1-O 2.77Å
142D98.7Very high98.1Very high5 Ų538.1 Ų38.13%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-121.4140-170-68.4-135.6000109.8K64 N66 K91 F92 Y161 G162K64-D142 VanDerWaalsContact CE-CG 3.43Å; K64-D142 VanDerWaalsContact CE-OD1 3.27Å; K64-D142 WeakPolarHBondContact CE-OD1 3.43Å; K64-D142 WeakPolarHBondContact CE-OD2 3.03Å; K64-D142 WeakPolarHBondContact O-CA 3.33Å; N66-D142 HydrophobicContact CB-CB 3.99Å; N66-D142 PolarHBondContact ND2-OD1 2.91Å; K91-D142 VanDerWaalsContact NZ-CG 3.34Å; K91-D142 IonicContact NZ-OD1 3.19Å; K91-D142 PolarHBondContact NZ-OD1 3.12Å; K91-D142 IonicContact NZ-OD2 3.98Å; K91-D142 PolarHBondContact NZ-OD2 3.44Å; F92-D142 HydrophobicContact CE2-CB 3.74Å; F92-D142 HydrophobicContact CZ-CB 3.65Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.27Å; D142-Y161 WeakPolarHBondContact O-CA 3.49Å; D142-G162 PolarHBondContact N-O 3.14Å; D142-G162 PolarHBondContact O-N 2.71Å
143I98.8Very high97.8Very high0 Ų044 Ų440%021%0.205CC..EExtended strand (participates in β ladder)trans-134.7139173.8-171.1176.1000109.8L36 H39 L63 K64 W65 N66 C159 Y160 Y161L36-I143 HydrophobicContact CD1-CG2 3.5Å; L36-I143 VanDerWaalsContact CD1-CG2 3.5Å; H39-I143 HydrophobicContact CB-CD1 4.25Å; L63-I143 HydrophobicContact CB-CG2 3.97Å; L63-I143 HydrophobicContact CD1-CB 4.29Å; L63-I143 HydrophobicContact CD1-CD1 4.26Å; L63-I143 HydrophobicContact CD1-CG2 4.11Å; K64-I143 PolarHBondContact O-N 3.49Å; W65-I143 CarbonylContact C-O 3.58Å; W65-I143 WeakPolarHBondContact CA-O 3.48Å; W65-I143 HydrophobicContact CE3-CG2 4.34Å; N66-I143 PolarHBondContact N-O 3.39Å; I143-C159 HydrophobicContact CD1-CB 4.42Å; I143-Y160 WeakPolarHBondContact CA-O 3.03Å; I143-Y161 HydrophobicContact CD1-CD1 4.12Å; I143-Y161 HydrophobicContact CD1-CE1 3.58Å; I143-Y161 HydrophobicContact CG1-CD1 4.13Å; I143-Y161 HydrophobicContact CG1-CE1 4.05Å
144G98.7Very high97.7Very high0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-138.2131.5169.100000109.3Y160G144-Y160 PolarHBondContact N-O 3.33Å; G144-Y160 PolarHBondContact O-N 3.43Å
145C98.8Very high97.6Very high4 Ų446.4 Ų46.43%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-129.9155.4-177.1-50.80000112L35 W65 V158 C159L35-C145 HydrophobicContact CB-CB 4.39Å; L35-C145 HydrophobicContact CD1-CB 3.61Å; L35-C145 HydrophobicContact CG-CB 4.43Å; W65-C145 HydrophobicContact CH2-CB 3.78Å; W65-C145 HydrophobicContact CZ3-CB 4.27Å; C145-V158 CarbonylContact C-O 3.59Å; C145-V158 WeakPolarHBondContact CA-O 3.29Å; C145-V158 WeakPolarHBondContact CB-O 3.48Å; C145-C159 HydrophobicContact CB-CB 4.06Å; C145-C159 WeakPolarHBondContact CB-SG 2.94Å; C145-C159 VanDerWaalsContact SG-CA 3.6Å; C145-C159 WeakPolarHBondContact SG-CB 3.31Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3Å
146G98.5Very high97.6Very high1 Ų146.3 Ų46.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-127.1151.1173.400000111.6Q74 V158Q74-G146 VanDerWaalsContact OE1-CA 3.31Å; G146-V158 PolarHBondContact N-O 3.14Å; G146-V158 PolarHBondContact O-N 3.14Å
147V98.6Very high97.6Very high20 Ų2046.2 Ų46.212%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-135.2130.5178-175.20000109.3N31 L35 Q74 I105 L155 S156N31-V147 HydrophobicContact CB-CG2 4.27Å; L35-V147 HydrophobicContact CD1-CG2 3.59Å; Q74-V147 PolarHBondContact NE2-O 3.33Å; Q74-V147 PolarHBondContact OE1-O 3.38Å; I105-V147 HydrophobicContact CD1-CG2 4.04Å; I105-V147 HydrophobicContact CG1-CG2 4.25Å; V147-L155 HydrophobicContact CG1-CB 4.29Å; V147-L155 HydrophobicContact CG1-CD1 4.21Å; V147-L155 HydrophobicContact CG1-CD2 4.33Å; V147-S156 CarbonylContact C-O 3.54Å; V147-S156 VanDerWaalsContact CA-O 3.26Å; V147-S156 WeakPolarHBondContact CA-O 3.34Å
148A98.3Very high97.6Very high12 Ų1246.1 Ų46.110%0.09922%0.223CC..EExtended strand (participates in β ladder)trans-130.1145.2173.600000110.4A77 L155 S156A77-A148 HydrophobicContact CB-CB 4.13Å; A77-A148 WeakPolarHBondContact O-CB 3.25Å; A148-L155 CarbonylContact O-C 3.58Å; A148-L155 WeakPolarHBondContact O-CA 3.39Å; A148-S156 PolarHBondContact N-O 3.23Å; A148-S156 PolarHBondContact O-N 2.67Å
149N98Very high97.6Very high132 Ų13245.4 Ų45.471%0.70622%0.217SC*.EExtended strand (participates in β ladder)trans-84.4124.2170.2-172.834.8000109.1L155N149-L155 HydrophobicContact CB-CD2 4.37Å
150C97.4Very high97.6Very high3 Ų339.4 Ų39.42%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-115.1117.1-177.5-60.50000108.8C80 R152 Y153 G154 S156C80-C150 WeakPolarHBondContact CA-SG 3.45Å; C80-C150 HydrophobicContact CB-CB 3.68Å; C80-C150 WeakPolarHBondContact CB-SG 3.38Å; C80-C150 WeakPolarHBondContact SG-CA 3.49Å; C80-C150 WeakPolarHBondContact SG-CB 3.48Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 3.4Å; C150-R152 PolarHBondContact O-N 2.93Å; C150-Y153 HydrophobicContact CB-CD2 4.38Å; C150-Y153 PolarHBondContact O-N 3.29Å; C150-G154 WeakPolarHBondContact CA-O 3.43Å; C150-G154 WeakPolarHBondContact CB-O 3.17Å; C150-G154 PolarHBondContact N-O 3.45Å; C150-G154 PolarHBondContact O-N 3.21Å; C150-S156 WeakPolarHBondContact SG-CB 3.34Å
151Q94.2Very high97.6Very high195 Ų19539.4 Ų39.491%0.91119%0.191SC*.THydrogen-bonded Turntrans-48.6-37.2-172.3-172-17912.900114
152R92.4Very high97.6Very high209 Ų20937 Ų3779%0.78918%0.177SC*.THydrogen-bonded Turntrans-95.1-18.6-177.2-64.2-175.4-179.8-173.6-0.5115.1C150C150-R152 PolarHBondContact O-N 2.93Å
153Y92.5Very high97.6Very high124 Ų12438.8 Ų38.849%0.48619%0.188SC..THydrogen-bonded Turntrans-125.70.4-164.1-53.2-57.8000114.3F101 C150F101-Y153 HydrophobicContact CD2-CD1 4.17Å; F101-Y153 HydrophobicContact CD2-CD2 4.09Å; F101-Y153 AromaticContact CD2-CG 3.73Å; F101-Y153 HydrophobicContact CD2-CG 3.73Å; F101-Y153 HydrophobicContact CE2-CD1 4.38Å; F101-Y153 AromaticContact CE2-CD2 3.68Å; F101-Y153 HydrophobicContact CE2-CD2 3.68Å; F101-Y153 HydrophobicContact CE2-CE2 4.15Å; F101-Y153 AromaticContact CE2-CG 3.81Å; F101-Y153 HydrophobicContact CE2-CG 3.81Å; F101-Y153 HydrophobicContact CG-CG 4.23Å; F101-Y153 HydrophobicContact CZ-CD2 4Å; F101-Y153 HydrophobicContact CZ-CG 4.44Å; C150-Y153 HydrophobicContact CB-CD2 4.38Å; C150-Y153 PolarHBondContact O-N 3.29Å
154G96.1Very high97.6Very high27 Ų2738.8 Ų38.828%0.27819%0.188SC..EExtended strand (participates in β ladder)trans75.8-133.9-171.300000110.6C150C150-G154 WeakPolarHBondContact CA-O 3.43Å; C150-G154 WeakPolarHBondContact CB-O 3.17Å; C150-G154 PolarHBondContact N-O 3.45Å; C150-G154 PolarHBondContact O-N 3.21Å
155L98.3Very high97.6Very high39 Ų3938.8 Ų38.820%0.20419%0.188CC..EExtended strand (participates in β ladder)trans-86.9128.3179.6-56.4-176.6000111.7F101 F102 I105 V147 A148 N149 V157F101-L155 VanDerWaalsContact CA-O 3.29Å; F101-L155 WeakPolarHBondContact CA-O 3.3Å; F102-L155 PolarHBondContact N-O 3.17Å; F102-L155 WeakPolarHBondContact O-CA 3.46Å; F102-L155 VanDerWaalsContact O-CB 3.3Å; F102-L155 WeakPolarHBondContact O-CB 3.33Å; F102-L155 PolarHBondContact O-N 2.79Å; I105-L155 HydrophobicContact CG1-CD1 4.25Å; V147-L155 HydrophobicContact CG1-CB 4.29Å; V147-L155 HydrophobicContact CG1-CD1 4.21Å; V147-L155 HydrophobicContact CG1-CD2 4.33Å; A148-L155 CarbonylContact O-C 3.58Å; A148-L155 WeakPolarHBondContact O-CA 3.39Å; N149-L155 HydrophobicContact CB-CD2 4.37Å; L155-V157 HydrophobicContact CB-CG2 4.18Å
156S98.4Very high97.5Very high0 Ų041.1 Ų41.10%020%0.2CC..EExtended strand (participates in β ladder)trans-81.3118.1158.4179.20000109.4A77 V147 A148 C150A77-S156 WeakPolarHBondContact CA-OG 2.8Å; A77-S156 WeakPolarHBondContact O-CB 3.41Å; A77-S156 PolarHBondContact O-OG 2.98Å; V147-S156 CarbonylContact C-O 3.54Å; V147-S156 VanDerWaalsContact CA-O 3.26Å; V147-S156 WeakPolarHBondContact CA-O 3.34Å; A148-S156 PolarHBondContact N-O 3.23Å; A148-S156 PolarHBondContact O-N 2.67Å; C150-S156 WeakPolarHBondContact SG-CB 3.34Å
157V98.7Very high97.4Very high0 Ų047 Ų470%022%0.222CC..EExtended strand (participates in β ladder)trans-117.2119.5177.9-172.90000108.5L35 I99 A100 A108 W112 L155L35-V157 HydrophobicContact CD2-CG1 3.78Å; I99-V157 WeakPolarHBondContact CA-O 3.43Å; A100-V157 PolarHBondContact N-O 3.11Å; A100-V157 PolarHBondContact O-N 3.35Å; A108-V157 HydrophobicContact CB-CB 4.04Å; A108-V157 HydrophobicContact CB-CG1 4.37Å; A108-V157 HydrophobicContact CB-CG2 3.85Å; W112-V157 HydrophobicContact CH2-CB 4.24Å; W112-V157 HydrophobicContact CH2-CG1 3.79Å; W112-V157 HydrophobicContact CZ3-CG1 4.3Å; L155-V157 HydrophobicContact CB-CG2 4.18Å
158V98.7Very high97.1Very high0 Ų053 Ų530%025%0.252CS..EExtended strand (participates in β ladder)trans-123131.2178.6178.30000108.5A73 L76 A77 N98 I99 C145 G146 Y160A73-V158 HydrophobicContact CB-CB 4.25Å; A73-V158 HydrophobicContact CB-CG1 3.83Å; L76-V158 HydrophobicContact CB-CG1 4.34Å; L76-V158 HydrophobicContact CB-CG2 4.39Å; L76-V158 HydrophobicContact CD2-CG1 4.01Å; L76-V158 HydrophobicContact CD2-CG2 4.37Å; L76-V158 HydrophobicContact CG-CG1 4.46Å; L76-V158 HydrophobicContact CG-CG2 4.17Å; A77-V158 HydrophobicContact CB-CB 4.22Å; A77-V158 HydrophobicContact CB-CG2 3.79Å; N98-V158 WeakPolarHBondContact O-CA 3.34Å; I99-V158 HydrophobicContact CG1-CG1 4.22Å; I99-V158 HydrophobicContact CG1-CG2 4.24Å; I99-V158 HydrophobicContact CG2-CG2 4.07Å; C145-V158 CarbonylContact C-O 3.59Å; C145-V158 WeakPolarHBondContact CA-O 3.29Å; C145-V158 WeakPolarHBondContact CB-O 3.48Å; G146-V158 PolarHBondContact N-O 3.14Å; G146-V158 PolarHBondContact O-N 3.14Å; V158-Y160 HydrophobicContact CG1-CD1 4.5Å; V158-Y160 HydrophobicContact CG1-CE1 4.11Å
159C98.9Very high97Very high0 Ų059.7 Ų59.70%029%0.286CS..EExtended strand (participates in β ladder)trans-128.1136.5171.6-73.70000110.3Q97 N98 W112 I143 C145 Y161Q97-C159 CarbonylContact C-O 3.47Å; Q97-C159 VanDerWaalsContact CA-O 3.28Å; Q97-C159 WeakPolarHBondContact CA-O 3.37Å; N98-C159 PolarHBondContact N-O 2.79Å; N98-C159 PolarHBondContact O-N 3.42Å; W112-C159 HydrophobicContact CZ3-CB 4.41Å; I143-C159 HydrophobicContact CD1-CB 4.42Å; C145-C159 HydrophobicContact CB-CB 4.06Å; C145-C159 WeakPolarHBondContact CB-SG 2.94Å; C145-C159 VanDerWaalsContact SG-CA 3.6Å; C145-C159 WeakPolarHBondContact SG-CB 3.31Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3Å; C159-Y161 HydrophobicContact CB-CE2 3.76Å; C159-Y161 WeakPolarHBondContact CB-OH 3.49Å; C159-Y161 WeakPolarHBondContact O-CE2 3.49Å
160Y98.9Very high97Very high6 Ų656.8 Ų56.82%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-111.2144.8170.5-68.2-32.3000111.3Q72 A73 L76 G85 P87 V95 G96 Q97 I143 G144 V158Q72-Y160 HydrophobicContact CB-CD2 4.17Å; Q72-Y160 HydrophobicContact CB-CE2 3.82Å; A73-Y160 HydrophobicContact CB-CD2 3.81Å; A73-Y160 HydrophobicContact CB-CE2 4.07Å; A73-Y160 HydrophobicContact CB-CG 4.32Å; L76-Y160 VanDerWaalsContact CD2-OH 3.26Å; L76-Y160 WeakPolarHBondContact CD2-OH 3.43Å; G85-Y160 WeakPolarHBondContact CA-OH 3.43Å; P87-Y160 HydrophobicContact CB-CD1 4.4Å; P87-Y160 HydrophobicContact CB-CD2 3.71Å; P87-Y160 HydrophobicContact CB-CE1 4.38Å; P87-Y160 HydrophobicContact CB-CE2 3.67Å; P87-Y160 HydrophobicContact CB-CG 4.09Å; P87-Y160 HydrophobicContact CG-CD1 4.04Å; P87-Y160 HydrophobicContact CG-CD2 4.24Å; P87-Y160 HydrophobicContact CG-CE1 3.98Å; P87-Y160 HydrophobicContact CG-CE2 4.19Å; P87-Y160 HydrophobicContact CG-CG 4.18Å; V95-Y160 HydrophobicContact CG1-CG 4.2Å; G96-Y160 CarbonylContact O-C 3.58Å; G96-Y160 VanDerWaalsContact O-CA 3.26Å; G96-Y160 WeakPolarHBondContact O-CA 3.27Å; Q97-Y160 HydrophobicContact CB-CD1 3.61Å; Q97-Y160 HydrophobicContact CB-CE1 3.7Å; I143-Y160 WeakPolarHBondContact CA-O 3.03Å; G144-Y160 PolarHBondContact N-O 3.33Å; G144-Y160 PolarHBondContact O-N 3.43Å; V158-Y160 HydrophobicContact CG1-CD1 4.5Å; V158-Y160 HydrophobicContact CG1-CE1 4.11Å
161Y98.8Very high97Very high1 Ų160.8 Ų60.80%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-128.5124.7-168.5-58-91.7000110.6H39 V95 G96 N98 Q134 T140 D142 I143 C159 P163 G164H39-Y161 AromaticContact CD2-CE1 3.72Å; H39-Y161 AromaticContact NE2-CE1 3.64Å; H39-Y161 AromaticContact NE2-CZ 3.62Å; H39-Y161 PolarHBondContact NE2-OH 2.91Å; V95-Y161 CarbonylContact C-O 3.37Å; V95-Y161 VanDerWaalsContact CA-O 3.32Å; V95-Y161 WeakPolarHBondContact CA-O 3.49Å; G96-Y161 PolarHBondContact N-O 3.42Å; G96-Y161 PolarHBondContact O-N 3.34Å; N98-Y161 HydrophobicContact CB-CE2 3.87Å; N98-Y161 PolarHBondContact ND2-OH 2.83Å; N98-Y161 VanDerWaalsContact ND2-OH 3.17Å; Q134-Y161 HydrophobicContact CG-CD1 4.35Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE2 3.62Å; Q134-Y161 HydrophobicContact CG-CG 3.76Å; Q134-Y161 VanDerWaalsContact NE2-CB 3.3Å; T140-Y161 HydrophobicContact CG2-CD1 4.16Å; T140-Y161 HydrophobicContact CG2-CG 4.44Å; D142-Y161 WeakPolarHBondContact O-CA 3.49Å; I143-Y161 HydrophobicContact CD1-CD1 4.12Å; I143-Y161 HydrophobicContact CD1-CE1 3.58Å; I143-Y161 HydrophobicContact CG1-CD1 4.13Å; I143-Y161 HydrophobicContact CG1-CE1 4.05Å; C159-Y161 HydrophobicContact CB-CE2 3.76Å; C159-Y161 WeakPolarHBondContact CB-OH 3.49Å; C159-Y161 WeakPolarHBondContact O-CE2 3.49Å; Y161-P163 CarbonylContact O-C 3.53Å; Y161-G164 WeakPolarHBondContact O-CA 3.46Å; Y161-G164 PolarHBondContact O-N 3.08Å
162G98.6Very high97.2Very high0 Ų051.7 Ų51.70%024%0.243CC..EExtended strand (participates in β ladder)trans-125.5125.2-176.800000113.1F92 T141 D142F92-G162 VanDerWaalsContact CE1-C 3.44Å; F92-G162 WeakPolarHBondContact CZ-O 3.45Å; T141-G162 PolarHBondContact N-O 3.29Å; T141-G162 PolarHBondContact OG1-O 2.77Å; D142-G162 PolarHBondContact N-O 3.14Å; D142-G162 PolarHBondContact O-N 2.71Å
163P98.5Very high97.5Very high41 Ų4142.2 Ų42.227%0.26621%0.208SC..SBendcis-60.5153.1-15.928.6-36.8000111.5F92 K139 T140 Y161F92-P163 HydrophobicContact CD1-CB 4.18Å; K139-P163 WeakPolarHBondContact O-CD 3.43Å; K139-P163 VanDerWaalsContact O-CG 3.29Å; K139-P163 WeakPolarHBondContact O-CG 3.47Å; T140-P163 WeakPolarHBondContact CB-O 3.36Å; T140-P163 PolarHBondContact OG1-O 2.52Å; Y161-P163 CarbonylContact O-C 3.53Å
164G98.3Very high97.8Very high0 Ų043.6 Ų43.60%022%0.216CC..  trans-66.8151.6175.200000112.6W94 Y161 W167W94-G164 PolarHBondContact O-N 3.1Å; Y161-G164 WeakPolarHBondContact O-CA 3.46Å; Y161-G164 PolarHBondContact O-N 3.08Å; G164-W167 PolarHBondContact O-NE1 3.31Å
165G97.9Very high97.9Very high0 Ų045.2 Ų45.20%022%0.22CC..  trans-98.3-154.7175.100000112.2W94 W137 W167W94-G165 PolarHBondContact NE1-O 3.46Å; W137-G165 VanDerWaalsContact CE2-CA 3.45Å; G165-W167 VanDerWaalsContact C-N 3.26Å; G165-W167 PolarHBondContact O-N 3.19Å
166N97.7Very high97.9Very high54 Ų5444.4 Ų44.429%0.28922%0.215SC..  trans59.732.7177.8-64.3-27.7000114.3V130 K133 W137V130-N166 PolarHBondContact O-ND2 3.34Å; K133-N166 WeakPolarHBondContact CB-OD1 3.42Å; W137-N166 VanDerWaalsContact CE3-N 3.26Å
167W96.5Very high97.8Very high124 Ų12448.2 Ų48.247%0.4724%0.24SC..  trans-61.5139.1168.9-69.892.3000110.6W94 W137 G164 G165 N169 E170W94-W167 HydrophobicContact CB-CH2 4.49Å; W94-W167 HydrophobicContact CB-CZ2 3.92Å; W94-W167 AromaticContact CD1-NE1 3.91Å; W94-W167 HydrophobicContact CG-CZ2 4.18Å; W137-W167 HydrophobicContact CH2-CB 4.06Å; W137-W167 HydrophobicContact CZ2-CB 4.01Å; W137-W167 AromaticContact CZ2-CD1 3.56Å; W137-W167 HydrophobicContact CZ2-CG 4.18Å; G164-W167 PolarHBondContact O-NE1 3.31Å; G165-W167 VanDerWaalsContact C-N 3.26Å; G165-W167 PolarHBondContact O-N 3.19Å; W167-N169 PolarHBondContact O-N 3.06Å; W167-E170 HydrophobicContact CB-CB 3.95Å; W167-E170 HydrophobicContact CB-CG 4.09Å; W167-E170 WeakPolarHBondContact CB-OE1 3.48Å; W167-E170 PolarHBondContact O-N 2.82Å
168I93.1Very high97.6Very high147 Ų14754.4 Ų54.475%0.75427%0.269SS*.THydrogen-bonded Turntrans-58.4135.9-179.8-63.2171.1000108.8E170I168-E170 PolarHBondContact O-N 3.26Å
169N94.4Very high97.4Very high151 Ų15161 Ų6181%0.80730%0.304SS*.THydrogen-bonded Turntrans59.54.7179.3-59-27.8000116.1N124 W167N124-N169 PolarHBondContact ND2-O 3.32Å; W167-N169 PolarHBondContact O-N 3.06Å
170E97.8Very high97.2Very high72 Ų7266 Ų6634%0.33633%0.33SS..  trans-94142.7173.7-76.1-170.4-122.100111.7N124 K133 W137 K139 W167 I168N124-E170 VanDerWaalsContact ND2-C 3.29Å; N124-E170 PolarHBondContact ND2-O 2.89Å; N124-E170 PolarHBondContact OD1-O 3.01Å; K133-E170 PolarHBondContact NZ-O 3.35Å; W137-E170 HydrophobicContact CH2-CB 3.72Å; W137-E170 HydrophobicContact CZ2-CB 4.1Å; K139-E170 IonicContact NZ-OE2 2.78Å; K139-E170 PolarHBondContact NZ-OE2 2.84Å; W167-E170 HydrophobicContact CB-CB 3.95Å; W167-E170 HydrophobicContact CB-CG 4.09Å; W167-E170 WeakPolarHBondContact CB-OE1 3.48Å; W167-E170 PolarHBondContact O-N 2.82Å; I168-E170 PolarHBondContact O-N 3.26Å
171K98.6Very high97.1Very high87 Ų8767 Ų6738%0.37834%0.338SS..  trans-85.7147.5169.4-64.7-167.4173.187.20109.5Y121 S122 N124 Y173Y121-K171 HydrophobicContact CD1-CD 3.99Å; Y121-K171 HydrophobicContact CE1-CD 3.44Å; Y121-K171 VanDerWaalsContact CE1-CD 3.44Å; Y121-K171 HydrophobicContact CE2-CB 4.26Å; Y121-K171 HydrophobicContact CE2-CD 4.16Å; Y121-K171 WeakPolarHBondContact O-CE 3.5Å; S122-K171 PolarHBondContact O-NZ 3.26Å; N124-K171 HydrophobicContact CB-CG 4.07Å; K171-Y173 VanDerWaalsContact C-N 3.29Å; K171-Y173 PolarHBondContact O-N 2.76Å
172P98.6Very high96.7Very high3 Ų370.6 Ų70.62%0.01936%0.361CS..SBendtrans-70.6-20.7-171.125.8-32.6000114.5Y119 K133 V136 W137 A138Y119-P172 HydrophobicContact CE1-CG 4Å; Y119-P172 WeakPolarHBondContact OH-CD 3.49Å; K133-P172 HydrophobicContact CG-CG 4.47Å; V136-P172 HydrophobicContact CG2-CB 4.02Å; V136-P172 HydrophobicContact CG2-CG 4.07Å; W137-P172 CarbonylContact C-O 3.57Å; W137-P172 WeakPolarHBondContact CA-O 3.29Å; W137-P172 HydrophobicContact CD2-CB 4.38Å; W137-P172 VanDerWaalsContact CE3-CA 3.48Å; W137-P172 HydrophobicContact CE3-CB 3.6Å; W137-P172 HydrophobicContact CZ3-CB 3.98Å; A138-P172 PolarHBondContact N-O 2.78Å
173Y98.8Very high96Very high11 Ų1178 Ų784%0.04340%0.399CS..SBendtrans-152.9175.6-179.152.2-92.8000110.7L46 P55 A57 M60 Y121 V136 K171 V175L46-Y173 HydrophobicContact CD2-CD1 3.76Å; L46-Y173 HydrophobicContact CD2-CE1 3.25Å; L46-Y173 HydrophobicContact CD2-CE2 4.2Å; L46-Y173 HydrophobicContact CD2-CG 4.43Å; L46-Y173 VanDerWaalsContact CD2-CZ 3.48Å; L46-Y173 HydrophobicContact CG-CE1 4.35Å; P55-Y173 HydrophobicContact CG-CE2 4.48Å; P55-Y173 WeakPolarHBondContact O-CE2 3.46Å; P55-Y173 PolarHBondContact O-OH 3.34Å; A57-Y173 HydrophobicContact CB-CD2 3.62Å; A57-Y173 HydrophobicContact CB-CE2 4.06Å; A57-Y173 HydrophobicContact CB-CG 3.96Å; M60-Y173 HydrophobicContact CE-CD1 3.54Å; M60-Y173 HydrophobicContact CE-CE1 4.35Å; M60-Y173 HydrophobicContact CE-CG 3.68Å; Y121-Y173 HydrophobicContact CD2-CE1 4.17Å; Y121-Y173 AromaticContact CD2-CE2 3.97Å; Y121-Y173 HydrophobicContact CD2-CE2 3.97Å; Y121-Y173 AromaticContact CD2-CZ 3.65Å; Y121-Y173 HydrophobicContact CE2-CD1 4.34Å; Y121-Y173 AromaticContact CE2-CD2 3.82Å; Y121-Y173 HydrophobicContact CE2-CD2 3.82Å; Y121-Y173 AromaticContact CE2-CE1 3.95Å; Y121-Y173 HydrophobicContact CE2-CE1 3.95Å; Y121-Y173 AromaticContact CE2-CE2 3.43Å; Y121-Y173 HydrophobicContact CE2-CE2 3.43Å; Y121-Y173 VanDerWaalsContact CE2-CE2 3.43Å; Y121-Y173 HydrophobicContact CE2-CG 4.28Å; Y121-Y173 AromaticContact CE2-CZ 3.51Å; Y121-Y173 PolarHBondContact OH-O 3.18Å; V136-Y173 HydrophobicContact CB-CD1 4.33Å; V136-Y173 HydrophobicContact CB-CE1 4.41Å; V136-Y173 HydrophobicContact CG2-CD1 4.08Å; V136-Y173 HydrophobicContact CG2-CE1 3.93Å; K171-Y173 VanDerWaalsContact C-N 3.29Å; K171-Y173 PolarHBondContact O-N 2.76Å; Y173-V175 HydrophobicContact CE2-CG2 4.34Å
174K98.5Very high94.9Very high152 Ų15282.2 Ų82.266%0.66142%0.424SS*.PPolyproline II helixtrans-97.4147.9167.5-69.7-176.5177.9-177.60109.8A57 E58A57-K174 WeakPolarHBondContact CA-O 3.31Å; E58-K174 HydrophobicContact CB-CB 4.23Å; E58-K174 WeakPolarHBondContact CB-O 3.28Å; E58-K174 PolarHBondContact N-O 3.09Å; E58-K174 VanDerWaalsContact OE2-CB 3.25Å; E58-K174 WeakPolarHBondContact OE2-CB 3.25Å; E58-K174 WeakPolarHBondContact OE2-CD 2.83Å
175V98.5Very high93.2Very high61 Ų6190.3 Ų90.337%0.3746%0.461SS..BIsolated β-bridgetrans-91.9138.5-178.4174.80000110.3P55 P56 Y121 Y173P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.76Å; P55-V175 HydrophobicContact CB-CG2 3.68Å; P55-V175 HydrophobicContact CG-CG2 3.64Å; P56-V175 WeakPolarHBondContact O-CA 3.38Å; Y121-V175 HydrophobicContact CD1-CG2 4.17Å; Y121-V175 HydrophobicContact CE1-CG2 3.33Å; Y121-V175 HydrophobicContact CE2-CG2 4.24Å; Y121-V175 VanDerWaalsContact CZ-CG2 3.41Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.32Å; Y173-V175 HydrophobicContact CE2-CG2 4.34Å
176K97.8Very high91.4Very high23 Ų2395.2 Ų95.210%0.150%0.496CS..PPolyproline II helixtrans-100.4156.716462.3177.7-176.7175.40111.8V47 P56 A57 E58 L180V47-K176 WeakPolarHBondContact O-CE 3.16Å; V47-K176 PolarHBondContact O-NZ 2.9Å; P56-K176 HydrophobicContact CB-CG 4.19Å; P56-K176 HydrophobicContact CG-CG 4.07Å; P56-K176 WeakPolarHBondContact CG-O 3.26Å; P56-K176 PolarHBondContact O-N 3.12Å; A57-K176 WeakPolarHBondContact O-CD 3.39Å; A57-K176 WeakPolarHBondContact O-CE 3.48Å; E58-K176 HydrophobicContact CB-CB 4.06Å; E58-K176 HydrophobicContact CG-CB 4.42Å; K176-L180 HydrophobicContact CB-CD1 4.41Å; K176-L180 HydrophobicContact CD-CB 4.02Å; K176-L180 PolarHBondContact NZ-O 3.06Å
177P97.1Very high89.3Confident80 Ų8099.4 Ų99.452%0.51952%0.517SS..PPolyproline II helixtrans-56.6144.5166.4-29.539000113.4N179 L180P177-N179 VanDerWaalsContact C-N 3.27Å; P177-N179 WeakPolarHBondContact CB-OD1 3.49Å; P177-N179 PolarHBondContact O-N 2.75Å; P177-L180 WeakPolarHBondContact O-CB 2.99Å; P177-L180 PolarHBondContact O-N 3Å; P177-L180 VanDerWaalsContact O-N 3.11Å
178H94Very high87Confident130 Ų13098.1 Ų98.160%0.60253%0.525SS*.G310 helixtrans-65.8-23.7-179.5-86.8-85.2000114.3P56 L180 C181P56-H178 WeakPolarHBondContact CD-NE2 3.46Å; H178-L180 PolarHBondContact O-N 3.06Å; H178-C181 VanDerWaalsContact O-CB 3.28Å; H178-C181 WeakPolarHBondContact O-CB 3.29Å; H178-C181 PolarHBondContact O-N 3.42Å; H178-C181 VanDerWaalsContact O-N 3.16Å; H178-C181 PolarHBondContact O-SG 2.77Å
179N94.2Very high85.2Confident138 Ų138100.8 Ų100.874%0.73853%0.531SS*.G310 helixtrans-68.2-11.617465.3-29000113P177 C181P177-N179 VanDerWaalsContact C-N 3.27Å; P177-N179 WeakPolarHBondContact CB-OD1 3.49Å; P177-N179 PolarHBondContact O-N 2.75Å; N179-C181 VanDerWaalsContact C-N 3.33Å
180L95.2Very high83.5Confident105 Ų105101 Ų10155%0.5553%0.532SS..G310 helixtrans-92.913.8173.5-56.9-176.5000112.9K176 P177 H178K176-L180 HydrophobicContact CB-CD1 4.41Å; K176-L180 HydrophobicContact CD-CB 4.02Å; K176-L180 PolarHBondContact NZ-O 3.06Å; P177-L180 WeakPolarHBondContact O-CB 2.99Å; P177-L180 PolarHBondContact O-N 3Å; P177-L180 VanDerWaalsContact O-N 3.11Å; H178-L180 PolarHBondContact O-N 3.06Å
181C95.5Very high81.4Confident28 Ų28104.8 Ų104.819%0.18955%0.549CS..SBendtrans-76.3141.9172.1-60.90000110.8C49 H178 N179 I183C49-C181 HydrophobicContact CB-CB 3.75Å; C49-C181 WeakPolarHBondContact CB-SG 3.45Å; C49-C181 VanDerWaalsContact SG-CA 3.58Å; C49-C181 WeakPolarHBondContact SG-CB 3.44Å; C49-C181 CovalentContact SG-SG 1.99Å; C49-C181 PolarHBondContact SG-SG 2.81Å; H178-C181 VanDerWaalsContact O-CB 3.28Å; H178-C181 WeakPolarHBondContact O-CB 3.29Å; H178-C181 PolarHBondContact O-N 3.42Å; H178-C181 VanDerWaalsContact O-N 3.16Å; H178-C181 PolarHBondContact O-SG 2.77Å; N179-C181 VanDerWaalsContact C-N 3.33Å; C181-I183 PolarHBondContact O-N 2.93Å
182P91.7Very high79.4Confident76 Ų76108.1 Ų108.149%0.49456%0.564SS.*PPolyproline II helixtrans-58.3129174-22.233.1000111.3D48 V184D48-P182 HydrophobicContact CB-CG 4.43Å; P182-V184 PolarHBondContact O-N 2.91Å
183I83.8Confident77.1Confident154 Ų154115.1 Ų115.179%0.7960%0.597SS**PPolyproline II helixtrans-73.1124.5174.4-55.2176.6000107.9C181 Q185C181-I183 PolarHBondContact O-N 2.93Å; I183-Q185 PolarHBondContact O-N 2.93Å
184V74Confident74.9Confident130 Ų130118.3 Ų118.379%0.78862%0.617SS**  trans-68.1101.2168-178.40000106.7P182 S186P182-V184 PolarHBondContact O-N 2.91Å; V184-S186 PolarHBondContact O-N 3.41Å
185Q63.9Low72.3Confident170 Ų170116.2 Ų116.279%0.79461%0.613SS**  trans-62.6104.2167.3-70.9-177.7-20.200107.2I183 I187I183-Q185 PolarHBondContact O-N 2.93Å; Q185-I187 PolarHBondContact O-N 3.5Å
186S60.6Low69.6Low103 Ų103122.6 Ų122.672%0.7263%0.631SS**  trans-65100.8167.153.90000107.2V184 P188V184-S186 PolarHBondContact O-N 3.41Å; S186-P188 WeakPolarHBondContact O-CD 3.49Å
187I53Low67.2Low142 Ų142125.3 Ų125.373%0.72865%0.649SS**  trans-61118.9167.8-60.3177.6000106.3Q185 K189Q185-I187 PolarHBondContact O-N 3.5Å; I187-K189 PolarHBondContact O-N 3.46Å
188P48.8Very low64.6Low98 Ų98128.6 Ų128.664%0.63666%0.657SS**  trans-58132176.8-23.635000109.7S186 D190 H191S186-P188 WeakPolarHBondContact O-CD 3.49Å; P188-D190 PolarHBondContact O-N 3.21Å; P188-H191 PolarHBondContact O-N 2.96Å
189K55.1Low62.4Low202 Ų202125.9 Ų125.988%0.87865%0.65SS**G310 helixtrans-59.8-12-176.4-70.9178.5179.8172.10113.9I187 H191I187-K189 PolarHBondContact O-N 3.46Å; K189-H191 PolarHBondContact O-N 3.16Å
190D57.9Low60.4Low156 Ų156131.5 Ų131.583%0.83466%0.661SS**G310 helixtrans-82.1-6.8-173.4-154.620.5000114.5P188 F192P188-D190 PolarHBondContact O-N 3.21Å; D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 1.99Å
191H54.8Low58.6Low152 Ų152135.5 Ų135.570%0.70468%0.676SS**G310 helixtrans-82.46-178.5-140.8-49.9000115P188 K189 Q193P188-H191 PolarHBondContact O-N 2.96Å; K189-H191 PolarHBondContact O-N 3.16Å; H191-Q193 PolarHBondContact O-N 3.31Å; H191-Q193 VanDerWaalsContact O-N 3.14Å
192F56.2Low56.1Low156 Ų156136.1 Ų136.168%0.68469%0.687SS**  trans-84.580.8173.1-81-86.4000110.8D190 T194D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 1.99Å; F192-T194 PolarHBondContact O-N 2.88Å
193Q49.9Very low53.6Low151 Ų151139 Ų13971%0.70669%0.694SS**  trans-63.4117.7168.6-71.3-176.9-4.500109.8H191 N195H191-Q193 PolarHBondContact O-N 3.31Å; H191-Q193 VanDerWaalsContact O-N 3.14Å; Q193-N195 PolarHBondContact O-N 3.2Å
194T52.3Low51.9Low77 Ų77139.2 Ų139.247%0.47269%0.689SS.*  trans-71.3113.717457.70000109.4F192 R196F192-T194 PolarHBondContact O-N 2.88Å; T194-R196 PolarHBondContact O-N 3.38Å
195N45Very low50.5Low109 Ų109137.3 Ų137.358%0.58368%0.682SS**PPolyproline II helixtrans-74.9119.4171.2-75.6-28.6000109.7Q193Q193-N195 PolarHBondContact O-N 3.2Å
196R41Very low49.6Very low195 Ų195132.4 Ų132.474%0.73666%0.66SS**EExtended strand (participates in β ladder)trans-77.6116.4172.7-74-177.3-112.3174.9-2.4108.8T194T194-R196 PolarHBondContact O-N 3.38Å
197V47.6Very low48.7Very low79 Ų79131.9 Ų131.948%0.47965%0.649SS.*EExtended strand (participates in β ladder)trans-97.9125.4172.5-179.60000108.5T199V197-T199 HydrophobicContact CG1-CG2 4.45Å; V197-T199 PolarHBondContact O-N 3.14Å
198H41.8Very low48.7Very low149 Ų149130 Ų13069%0.6964%0.64SS**EExtended strand (participates in β ladder)trans-76.5114.2173.4-125.850000108.6Q203H198-Q203 VanDerWaalsContact CE1-CG 3.44Å; H198-Q203 WeakPolarHBondContact CE1-CG 3.19Å; H198-Q203 WeakPolarHBondContact ND1-CG 3.03Å
199T48Very low48.7Very low74 Ų74135.9 Ų135.945%0.45465%0.65SS.*EExtended strand (participates in β ladder)trans-105.6155.8170.567.80000109.6V197 H201 G202V197-T199 HydrophobicContact CG1-CG2 4.45Å; V197-T199 PolarHBondContact O-N 3.14Å; T199-H201 PolarHBondContact O-N 2.95Å; T199-G202 PolarHBondContact O-N 3.33Å; T199-G202 PolarHBondContact OG1-O 3.26Å
200R52.9Low48Very low256 Ų256133.8 Ų133.897%0.96664%0.643SS**THydrogen-bonded Turntrans-59.1-7.3179.3-71.1-173.7-174177.11.8114.4
201H57.2Low47Very low189 Ų189135 Ų13588%0.87564%0.641SS**THydrogen-bonded Turntrans-112.722.7174.3-74.9-57.6000113.8T199T199-H201 PolarHBondContact O-N 2.95Å
202G42.7Very low46.1Very low40 Ų40137.7 Ų137.741%0.41265%0.65SS.*EExtended strand (participates in β ladder)trans101175.5176.200000114.3T199T199-G202 PolarHBondContact O-N 3.33Å; T199-G202 PolarHBondContact OG1-O 3.26Å
203Q40.2Very low44.9Very low138 Ų138133.4 Ų133.465%0.64565%0.65SS**EExtended strand (participates in β ladder)trans-74.9123.6-172.8-72.2173.8-31.700111.5H198H198-Q203 VanDerWaalsContact CE1-CG 3.44Å; H198-Q203 WeakPolarHBondContact CE1-CG 3.19Å; H198-Q203 WeakPolarHBondContact ND1-CG 3.03Å
204K46.9Very low44.1Very low158 Ų158132.5 Ų132.569%0.68766%0.655SS**EExtended strand (participates in β ladder)trans-124.8127167.4-146.6175.2-174.2-178.70110I206K204-I206 PolarHBondContact O-N 3.49Å
205S44.1Very low43.2Very low90 Ų90138.5 Ų138.563%0.62967%0.674SS**EExtended strand (participates in β ladder)trans-74.6119.6170.247.90000108.5
206I45.6Very low42.4Very low67 Ų67143.7 Ų143.734%0.34469%0.687SS.*  trans-106.2115.9176.7-54.6177.2000107.6K204 L208K204-I206 PolarHBondContact O-N 3.49Å; I206-L208 PolarHBondContact O-N 3.45Å
207N42.7Very low41.9Very low92 Ų92145.5 Ų145.549%0.49269%0.694SS.*  trans-70.6124167.3-171.1-35.9000107.9R209 E210N207-R209 PolarHBondContact O-N 2.94Å; N207-R209 PolarHBondContact OD1-N 2.98Å; N207-E210 PolarHBondContact O-N 2.99Å
208L52.8Low40.9Very low103 Ų103146.8 Ų146.854%0.53970%0.704SS.*G310 helixtrans-59.6-2.5-177.1-90.3144.5000114.6I206 E210I206-L208 PolarHBondContact O-N 3.45Å; L208-E210 VanDerWaalsContact C-N 3.32Å
209R49.1Very low40.8Very low221 Ų221152.8 Ų152.883%0.83473%0.728SS**G310 helixtrans-66.4-23.1166.3-102.7-178.1176.7-170.9-1.3115N207 K211N207-R209 PolarHBondContact O-N 2.94Å; N207-R209 PolarHBondContact OD1-N 2.98Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.31Å
210E39Very low40.4Very low157 Ų157156.8 Ų156.873%0.73474%0.742SS**G310 helixtrans-75.9-9.9-175.6-78-174159.100114.8N207 L208 K212N207-E210 PolarHBondContact O-N 2.99Å; L208-E210 VanDerWaalsContact C-N 3.32Å; E210-K212 VanDerWaalsContact C-N 3.33Å; E210-K212 PolarHBondContact O-N 3.42Å
211K38.1Very low39.7Very low182 Ų182151.5 Ų151.579%0.79173%0.73SS**G310 helixtrans-83.510.6-178.6-86.3-165.7176.6-176.30116.3R209R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.31Å
212K34.6Very low38.8Very low208 Ų208149.4 Ų149.490%0.90472%0.722SS**SBendtrans-128.862.8175.7-65.1-168.9-178-179.60112.4E210E210-K212 VanDerWaalsContact C-N 3.33Å; E210-K212 PolarHBondContact O-N 3.42Å
213G31.4Very low38.5Very low66 Ų66155.9 Ų155.968%0.6874%0.74SS**  trans-153.426.1176.100000114.4K215G213-K215 PolarHBondContact O-N 3.31Å
214V33.9Very low38.4Very low132 Ų132157 Ų15780%0.875%0.746SS**  trans-87.498.8172-1770000108.5Y216V214-Y216 PolarHBondContact O-N 3.11Å
215K33.5Very low37.9Very low203 Ų203156.9 Ų156.988%0.88375%0.75SS**  trans-59.3118.4167.9-86.2173.7172.9171.40109.4G213G213-K215 PolarHBondContact O-N 3.31Å
216Y26.6Very low37.4Very low218 Ų218161.7 Ų161.786%0.85576%0.759SS**  trans-84.4117.1154.3-97.6-95.4000108.4V214V214-Y216 PolarHBondContact O-N 3.11Å
217R30.5Very low36.8Very low233 Ų233169 Ų16988%0.87979%0.791SS**  trans-122.1107.9156.9-177.8-175.1-98.9-165.1-5.3107.5
218P28.6Very low36.3Very low106 Ų106175.4 Ų175.469%0.68882%0.816SS**  trans-94.5144.7166.118.7-3.4000112.1
219K37.9Very low34.8Very low276 Ų276182 Ų182100%1.284%0.841SS**  trans79.60-172.4-58.3-165.2-178.1-173.30115.4

Retrieved 219 of 219 residues in 75.2 ms (Link to these results)

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