A0A077Z2S7_TRITR Loading...

Cysteine protease

Cysteine protease that plays a key role in autophagy by mediating both proteolytic activation and delipidation of ATG8 family proteins.

AlphaFold DB , UniProt , Accession A0A077Z2S7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1F38.7Very low39Very low226 Ų226121.3 Ų121.399%0.99160%0.601SS**  0-49.40-89.1-86000111.1L3 F4 E5F1-L3 PolarHBondContact O-N 2.81Å; F1-F4 PolarHBondContact O-N 3.03Å; F1-F4 VanDerWaalsContact O-N 3.17Å; F1-E5 PolarHBondContact O-N 2.92Å
2S40.4Very low39.5Very low84 Ų84117.3 Ų117.359%0.58759%0.588SS**Hα-helixtrans-59.5-44175.159.40000114.8F4 E5 D6S2-F4 PolarHBondContact O-N 2.94Å; S2-E5 PolarHBondContact O-N 2.81Å; S2-D6 PolarHBondContact O-N 3.5Å
3L35.2Very low40.2Very low143 Ų143112.8 Ų112.875%0.74957%0.567SS**Hα-helixtrans-62.6-15.8177.2-79.6161.5000114.8F1F1-L3 PolarHBondContact O-N 2.81Å
4F30.9Very low40.8Very low161 Ų161108.9 Ų108.971%0.70654%0.544SS*.Hα-helixtrans-91.1-30.4178.5-110.9-90.8000112F1 S2 C7 I8F1-F4 PolarHBondContact O-N 3.03Å; F1-F4 VanDerWaalsContact O-N 3.17Å; S2-F4 PolarHBondContact O-N 2.94Å; F4-C7 PolarHBondContact O-N 3.45Å; F4-I8 WeakPolarHBondContact O-CD1 3.26Å; F4-I8 VanDerWaalsContact O-CG1 3.3Å; F4-I8 WeakPolarHBondContact O-CG1 3.25Å; F4-I8 PolarHBondContact O-N 2.65Å
5E36.3Very low41.5Very low130 Ų130108.5 Ų108.561%0.60754%0.543SS*.Hα-helixtrans-72.2-43.4175.9-72.9177.6160.300110.9F1 S2 C7 I8 D9F1-E5 PolarHBondContact O-N 2.92Å; S2-E5 PolarHBondContact O-N 2.81Å; E5-C7 PolarHBondContact O-N 3.38Å; E5-I8 PolarHBondContact O-N 3.39Å; E5-D9 PolarHBondContact O-N 2.67Å
6D41.1Very low42.2Very low106 Ų106107.7 Ų107.757%0.56754%0.541SS*.Hα-helixtrans-58.6-33.1174.2-65.5-34.1000112.2S2 Y10S2-D6 PolarHBondContact O-N 3.5Å; D6-Y10 WeakPolarHBondContact O-CB 3.43Å; D6-Y10 PolarHBondContact O-N 3.32Å; D6-Y10 VanDerWaalsContact O-N 3.07Å
7C37.4Very low43.1Very low66 Ų66101.8 Ų101.845%0.44651%0.512SS..Hα-helixtrans-74.9-34.3178.8-134.40000111.8F4 E5 F11F4-C7 PolarHBondContact O-N 3.45Å; E5-C7 PolarHBondContact O-N 3.38Å; C7-F11 WeakPolarHBondContact O-CB 3.47Å; C7-F11 WeakPolarHBondContact O-CD2 3.11Å; C7-F11 PolarHBondContact O-N 3.16Å
8I41.2Very low43.6Very low95 Ų95100.4 Ų100.449%0.48750%0.502SS..Hα-helixtrans-72-45.1177-69.9165.3000110F4 E5 Y10 F11 V12F4-I8 WeakPolarHBondContact O-CD1 3.26Å; F4-I8 VanDerWaalsContact O-CG1 3.3Å; F4-I8 WeakPolarHBondContact O-CG1 3.25Å; F4-I8 PolarHBondContact O-N 2.65Å; E5-I8 PolarHBondContact O-N 3.39Å; I8-Y10 VanDerWaalsContact C-N 3.32Å; I8-Y10 PolarHBondContact O-N 3.22Å; I8-F11 PolarHBondContact O-N 3.4Å; I8-F11 VanDerWaalsContact O-N 3.12Å; I8-V12 HydrophobicContact CG2-CG2 4.18Å; I8-V12 WeakPolarHBondContact O-CB 3.43Å; I8-V12 VanDerWaalsContact O-CG2 3.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.36Å; I8-V12 PolarHBondContact O-N 2.9Å
9D44.5Very low44.2Very low101 Ų101102.4 Ų102.454%0.5451%0.514SS..Hα-helixtrans-63.4-39.5176.5-75.6-23.4000111.5E5 F11 V12 L13E5-D9 PolarHBondContact O-N 2.67Å; D9-F11 VanDerWaalsContact C-N 3.35Å; D9-F11 PolarHBondContact O-N 2.88Å; D9-V12 PolarHBondContact O-N 2.89Å; D9-L13 WeakPolarHBondContact O-CB 3.45Å; D9-L13 WeakPolarHBondContact O-CD1 3.46Å; D9-L13 PolarHBondContact O-N 3.11Å
10Y43.2Very low45.2Very low96 Ų96103.2 Ų103.238%0.37652%0.518SS..Hα-helixtrans-62.2-38.2172.5-175.1-103.5000113D6 I8 K14D6-Y10 WeakPolarHBondContact O-CB 3.43Å; D6-Y10 PolarHBondContact O-N 3.32Å; D6-Y10 VanDerWaalsContact O-N 3.07Å; I8-Y10 VanDerWaalsContact C-N 3.32Å; I8-Y10 PolarHBondContact O-N 3.22Å; Y10-K14 HydrophobicContact CD1-CD 4.44Å; Y10-K14 HydrophobicContact CE1-CD 4.06Å; Y10-K14 VanDerWaalsContact CZ-CE 3.43Å; Y10-K14 WeakPolarHBondContact O-CG 3.44Å; Y10-K14 PolarHBondContact O-N 3.32Å; Y10-K14 VanDerWaalsContact OH-CE 3.31Å; Y10-K14 WeakPolarHBondContact OH-CE 3.29Å; Y10-K14 PolarHBondContact OH-NZ 2.96Å
11F39.7Very low46.3Very low126 Ų12699.7 Ų99.755%0.55350%0.501SS*.Hα-helixtrans-74.1-36.7175.8-101.2-90.7000113.1C7 I8 D9 K14 I15C7-F11 WeakPolarHBondContact O-CB 3.47Å; C7-F11 WeakPolarHBondContact O-CD2 3.11Å; C7-F11 PolarHBondContact O-N 3.16Å; I8-F11 PolarHBondContact O-N 3.4Å; I8-F11 VanDerWaalsContact O-N 3.12Å; D9-F11 VanDerWaalsContact C-N 3.35Å; D9-F11 PolarHBondContact O-N 2.88Å; F11-K14 WeakPolarHBondContact O-CB 3.38Å; F11-K14 PolarHBondContact O-N 2.8Å; F11-I15 WeakPolarHBondContact O-CG1 3.47Å; F11-I15 PolarHBondContact O-N 2.69Å
12V45.5Very low48.3Very low73 Ų7392.8 Ų92.844%0.44248%0.477SS..Hα-helixtrans-72.4-40.4179.5173.20000111.1I8 D9 K14 I15 N16I8-V12 HydrophobicContact CG2-CG2 4.18Å; I8-V12 WeakPolarHBondContact O-CB 3.43Å; I8-V12 VanDerWaalsContact O-CG2 3.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.36Å; I8-V12 PolarHBondContact O-N 2.9Å; D9-V12 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.32Å; V12-I15 PolarHBondContact O-N 3.39Å; V12-I15 VanDerWaalsContact O-N 3.13Å; V12-N16 PolarHBondContact O-N 3.47Å
13L47.9Very low50.2Low60 Ų6094.7 Ų94.731%0.31448%0.475SS..Hα-helixtrans-61.8-39171.4-105.3101.3000112.1D9 I15 N16 I17 I270D9-L13 WeakPolarHBondContact O-CB 3.45Å; D9-L13 WeakPolarHBondContact O-CD1 3.46Å; D9-L13 PolarHBondContact O-N 3.11Å; L13-I15 VanDerWaalsContact C-N 3.28Å; L13-I15 PolarHBondContact O-N 3.27Å; L13-N16 PolarHBondContact O-N 2.77Å; L13-I17 PolarHBondContact O-N 3.11Å; L13-I270 WeakPolarHBondContact CD2-O 3.24Å
14K49.8Very low52.6Low58 Ų5891 Ų9125%0.25247%0.466SS..Hα-helixtrans-56.8-43.3172.7-86.7-176.8174.7-179.60111.1Y10 F11 V12 N16 I17 F18 F26Y10-K14 HydrophobicContact CD1-CD 4.44Å; Y10-K14 HydrophobicContact CE1-CD 4.06Å; Y10-K14 VanDerWaalsContact CZ-CE 3.43Å; Y10-K14 WeakPolarHBondContact O-CG 3.44Å; Y10-K14 PolarHBondContact O-N 3.32Å; Y10-K14 VanDerWaalsContact OH-CE 3.31Å; Y10-K14 WeakPolarHBondContact OH-CE 3.29Å; Y10-K14 PolarHBondContact OH-NZ 2.96Å; F11-K14 WeakPolarHBondContact O-CB 3.38Å; F11-K14 PolarHBondContact O-N 2.8Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.32Å; K14-N16 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.04Å; K14-F18 HydrophobicContact CB-CD2 4.09Å; K14-F18 HydrophobicContact CB-CE2 4.37Å; K14-F18 HydrophobicContact CD-CE2 4.39Å; K14-F18 HydrophobicContact CG-CD2 4.28Å; K14-F18 HydrophobicContact CG-CE2 4.09Å; K14-F18 WeakPolarHBondContact O-CB 3.47Å; K14-F18 WeakPolarHBondContact O-CD2 3.48Å; K14-F18 PolarHBondContact O-N 2.62Å; K14-F26 HydrophobicContact CG-CE2 4.44Å; K14-F26 HydrophobicContact CG-CZ 4.15Å
15I50.5Low55.1Low103 Ų10386.6 Ų86.653%0.52845%0.447SS..Hα-helixtrans-63.7-41.3-175.7-69.6164.9000112.6F11 V12 L13 L19F11-I15 WeakPolarHBondContact O-CG1 3.47Å; F11-I15 PolarHBondContact O-N 2.69Å; V12-I15 PolarHBondContact O-N 3.39Å; V12-I15 VanDerWaalsContact O-N 3.13Å; L13-I15 VanDerWaalsContact C-N 3.28Å; L13-I15 PolarHBondContact O-N 3.27Å; I15-L19 WeakPolarHBondContact O-CD1 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.29Å
16N53.7Low57.4Low95 Ų9581.3 Ų81.351%0.50842%0.422SS..Hα-helixtrans-74.4-34.1-177.6-76.4-27.4000113.4V12 L13 K14V12-N16 PolarHBondContact O-N 3.47Å; L13-N16 PolarHBondContact O-N 2.77Å; K14-N16 PolarHBondContact O-N 3.33Å
17I55.9Low59.7Low8 Ų880.9 Ų80.94%0.04142%0.417CS..Hα-helixtrans-80.9-37179.3-66.8177000111.5L13 K14 L19 I20 L21 F26 I270L13-I17 PolarHBondContact O-N 3.11Å; K14-I17 PolarHBondContact O-N 3.04Å; I17-L19 PolarHBondContact O-N 2.87Å; I17-I20 PolarHBondContact O-N 2.87Å; I17-I20 VanDerWaalsContact O-N 3.12Å; I17-L21 HydrophobicContact CG2-CB 4.48Å; I17-L21 HydrophobicContact CG2-CD1 3.46Å; I17-L21 VanDerWaalsContact CG2-CD1 3.46Å; I17-L21 HydrophobicContact CG2-CG 4.07Å; I17-L21 PolarHBondContact O-N 3.19Å; I17-F26 HydrophobicContact CG2-CD2 4.08Å; I17-I270 HydrophobicContact CD1-CB 4.23Å; I17-I270 HydrophobicContact CD1-CG2 3.66Å
18F53.1Low62.2Low76 Ų7685.7 Ų85.733%0.33343%0.425SS..Hα-helixtrans-66-21.7178.8-95.2-93.3000114.1K14 I20 F23 F26K14-F18 HydrophobicContact CB-CD2 4.09Å; K14-F18 HydrophobicContact CB-CE2 4.37Å; K14-F18 HydrophobicContact CD-CE2 4.39Å; K14-F18 HydrophobicContact CG-CD2 4.28Å; K14-F18 HydrophobicContact CG-CE2 4.09Å; K14-F18 WeakPolarHBondContact O-CB 3.47Å; K14-F18 WeakPolarHBondContact O-CD2 3.48Å; K14-F18 PolarHBondContact O-N 2.62Å; F18-I20 PolarHBondContact O-N 3.49Å; F18-F23 HydrophobicContact CE1-CB 4.42Å; F18-F23 AromaticContact CE1-CD2 3.9Å; F18-F23 HydrophobicContact CE1-CD2 3.9Å; F18-F23 AromaticContact CZ-CD2 3.93Å; F18-F23 HydrophobicContact CZ-CD2 3.93Å; F18-F26 HydrophobicContact CD2-CD2 4.18Å; F18-F26 HydrophobicContact CD2-CE2 4.42Å; F18-F26 HydrophobicContact CD2-CG 4.43Å; F18-F26 HydrophobicContact CE2-CB 4.37Å; F18-F26 AromaticContact CE2-CD1 3.78Å; F18-F26 HydrophobicContact CE2-CD1 3.78Å; F18-F26 AromaticContact CE2-CD2 3.76Å; F18-F26 HydrophobicContact CE2-CD2 3.76Å; F18-F26 AromaticContact CE2-CE1 3.98Å; F18-F26 HydrophobicContact CE2-CE1 3.98Å; F18-F26 AromaticContact CE2-CE2 3.95Å; F18-F26 HydrophobicContact CE2-CE2 3.95Å; F18-F26 AromaticContact CE2-CG 3.68Å; F18-F26 HydrophobicContact CE2-CG 3.68Å; F18-F26 HydrophobicContact CE2-CZ 4.06Å; F18-F26 HydrophobicContact CZ-CB 4.26Å; F18-F26 AromaticContact CZ-CD1 3.85Å; F18-F26 HydrophobicContact CZ-CD1 3.85Å; F18-F26 HydrophobicContact CZ-CD2 4.45Å; F18-F26 HydrophobicContact CZ-CE1 4.35Å; F18-F26 AromaticContact CZ-CG 3.91Å; F18-F26 HydrophobicContact CZ-CG 3.91Å
19L54.2Low64.6Low139 Ų13983.1 Ų83.173%0.72841%0.412SS*.THydrogen-bonded Turntrans-69.9-16.2175.4-76.1164.5000112.8I15 I17I15-L19 WeakPolarHBondContact O-CD1 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.29Å; I17-L19 PolarHBondContact O-N 2.87Å
20I64.4Low66.9Low117 Ų11779.8 Ų79.860%0.640%0.397SS*.THydrogen-bonded Turntrans-115.9-32.3-175.5-57.5173000111.4I17 F18I17-I20 PolarHBondContact O-N 2.87Å; I17-I20 VanDerWaalsContact O-N 3.12Å; F18-I20 PolarHBondContact O-N 3.49Å
21L68.7Low69.3Low30 Ų3082.6 Ų82.616%0.15741%0.407CS..SBendtrans-106.8140.1-175.2-60.4-176.5000112.8I17 E25 I29I17-L21 HydrophobicContact CG2-CB 4.48Å; I17-L21 HydrophobicContact CG2-CD1 3.46Å; I17-L21 VanDerWaalsContact CG2-CD1 3.46Å; I17-L21 HydrophobicContact CG2-CG 4.07Å; I17-L21 PolarHBondContact O-N 3.19Å; L21-E25 HydrophobicContact CB-CB 4.14Å; L21-E25 HydrophobicContact CD2-CB 4.32Å; L21-I29 HydrophobicContact CD1-CD1 3.44Å; L21-I29 VanDerWaalsContact CD1-CD1 3.44Å; L21-I29 HydrophobicContact CD2-CD1 4.49Å
22T80.1Confident72Confident81 Ų8178.5 Ų78.550%0.49739%0.391SS..  trans-63.2155.2165.463.80000110.6A24 E25 F26T22-A24 PolarHBondContact O-N 3.4Å; T22-E25 WeakPolarHBondContact CB-OE2 3.37Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.31Å; T22-E25 PolarHBondContact N-OE2 2.97Å; T22-E25 WeakPolarHBondContact O-CB 3.31Å; T22-E25 PolarHBondContact O-N 3.32Å; T22-E25 WeakPolarHBondContact OG1-CB 3.39Å; T22-E25 VanDerWaalsContact OG1-CD 3.23Å; T22-E25 WeakPolarHBondContact OG1-CG 3.37Å; T22-E25 PolarHBondContact OG1-N 3.33Å; T22-E25 PolarHBondContact OG1-OE2 3.44Å; T22-F26 PolarHBondContact O-N 3.34Å
23F81.3Confident74.4Confident125 Ų12575.4 Ų75.455%0.54837%0.372SS..Hα-helixtrans-54.2-40.8176.2179.9-98.6000112.4F18 E25 F26 E27F18-F23 HydrophobicContact CE1-CB 4.42Å; F18-F23 AromaticContact CE1-CD2 3.9Å; F18-F23 HydrophobicContact CE1-CD2 3.9Å; F18-F23 AromaticContact CZ-CD2 3.93Å; F18-F23 HydrophobicContact CZ-CD2 3.93Å; F23-E25 PolarHBondContact O-N 2.85Å; F23-F26 PolarHBondContact O-N 2.68Å; F23-E27 HydrophobicContact CD1-CG 4.28Å; F23-E27 HydrophobicContact CE1-CG 3.85Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.24Å; F23-E27 HydrophobicContact CE2-CG 4.45Å; F23-E27 HydrophobicContact CZ-CG 3.94Å; F23-E27 WeakPolarHBondContact CZ-OE1 3.42Å; F23-E27 PolarHBondContact O-N 3.07Å
24A85.3Confident76.7Confident66 Ų6676.4 Ų76.455%0.54537%0.372SS..Hα-helixtrans-64.2-3817700000112.8T22 R28T22-A24 PolarHBondContact O-N 3.4Å; A24-R28 WeakPolarHBondContact O-CB 3.49Å; A24-R28 PolarHBondContact O-N 3.13Å
25E82.7Confident79Confident67 Ų6773.9 Ų73.931%0.31336%0.361SS..Hα-helixtrans-67.7-42.4174.8-73.9164.6139.500111.6L21 T22 F23 R28 I29L21-E25 HydrophobicContact CB-CB 4.14Å; L21-E25 HydrophobicContact CD2-CB 4.32Å; T22-E25 WeakPolarHBondContact CB-OE2 3.37Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.31Å; T22-E25 PolarHBondContact N-OE2 2.97Å; T22-E25 WeakPolarHBondContact O-CB 3.31Å; T22-E25 PolarHBondContact O-N 3.32Å; T22-E25 WeakPolarHBondContact OG1-CB 3.39Å; T22-E25 VanDerWaalsContact OG1-CD 3.23Å; T22-E25 WeakPolarHBondContact OG1-CG 3.37Å; T22-E25 PolarHBondContact OG1-N 3.33Å; T22-E25 PolarHBondContact OG1-OE2 3.44Å; F23-E25 PolarHBondContact O-N 2.85Å; E25-R28 PolarHBondContact O-N 3.37Å; E25-I29 WeakPolarHBondContact O-CB 3.23Å; E25-I29 WeakPolarHBondContact O-CD1 3.5Å; E25-I29 WeakPolarHBondContact O-CG1 3.39Å; E25-I29 PolarHBondContact O-N 3.08Å
26F85.7Confident81.3Confident19 Ų1969.5 Ų69.58%0.08334%0.338CS..Hα-helixtrans-59.8-47.5175.7178.2-92.7000111.6K14 I17 F18 T22 F23 R28 I29 S30 I270K14-F26 HydrophobicContact CG-CE2 4.44Å; K14-F26 HydrophobicContact CG-CZ 4.15Å; I17-F26 HydrophobicContact CG2-CD2 4.08Å; F18-F26 HydrophobicContact CD2-CD2 4.18Å; F18-F26 HydrophobicContact CD2-CE2 4.42Å; F18-F26 HydrophobicContact CD2-CG 4.43Å; F18-F26 HydrophobicContact CE2-CB 4.37Å; F18-F26 AromaticContact CE2-CD1 3.78Å; F18-F26 HydrophobicContact CE2-CD1 3.78Å; F18-F26 AromaticContact CE2-CD2 3.76Å; F18-F26 HydrophobicContact CE2-CD2 3.76Å; F18-F26 AromaticContact CE2-CE1 3.98Å; F18-F26 HydrophobicContact CE2-CE1 3.98Å; F18-F26 AromaticContact CE2-CE2 3.95Å; F18-F26 HydrophobicContact CE2-CE2 3.95Å; F18-F26 AromaticContact CE2-CG 3.68Å; F18-F26 HydrophobicContact CE2-CG 3.68Å; F18-F26 HydrophobicContact CE2-CZ 4.06Å; F18-F26 HydrophobicContact CZ-CB 4.26Å; F18-F26 AromaticContact CZ-CD1 3.85Å; F18-F26 HydrophobicContact CZ-CD1 3.85Å; F18-F26 HydrophobicContact CZ-CD2 4.45Å; F18-F26 HydrophobicContact CZ-CE1 4.35Å; F18-F26 AromaticContact CZ-CG 3.91Å; F18-F26 HydrophobicContact CZ-CG 3.91Å; T22-F26 PolarHBondContact O-N 3.34Å; F23-F26 PolarHBondContact O-N 2.68Å; F26-R28 VanDerWaalsContact C-N 3.34Å; F26-R28 PolarHBondContact O-N 3.03Å; F26-I29 PolarHBondContact O-N 2.83Å; F26-S30 WeakPolarHBondContact CE1-OG 3.2Å; F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.33Å; F26-S30 PolarHBondContact O-N 3.32Å; F26-S30 PolarHBondContact O-OG 3.44Å; F26-I270 HydrophobicContact CD2-CD1 4.3Å; F26-I270 HydrophobicContact CE2-CD1 3.65Å; F26-I270 HydrophobicContact CZ-CD1 4.06Å
27E89.5Confident83.4Confident97 Ų9765 Ų6545%0.45332%0.315SS..Hα-helixtrans-60.9-43.2176.5-74.9-170146.900111.8F23 S30 R31F23-E27 HydrophobicContact CD1-CG 4.28Å; F23-E27 HydrophobicContact CE1-CG 3.85Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.24Å; F23-E27 HydrophobicContact CE2-CG 4.45Å; F23-E27 HydrophobicContact CZ-CG 3.94Å; F23-E27 WeakPolarHBondContact CZ-OE1 3.42Å; F23-E27 PolarHBondContact O-N 3.07Å; E27-S30 PolarHBondContact O-N 3.22Å; E27-R31 WeakPolarHBondContact O-CB 3.1Å; E27-R31 VanDerWaalsContact O-CG 3.28Å; E27-R31 WeakPolarHBondContact O-CG 3.4Å; E27-R31 PolarHBondContact O-N 3Å
28R89.8Confident85.4Confident167 Ų16765.9 Ų65.963%0.6332%0.317SS*.Hα-helixtrans-61.6-47177.5-175.7-178.665179.5-2.2111.8A24 E25 F26 R31 D32A24-R28 WeakPolarHBondContact O-CB 3.49Å; A24-R28 PolarHBondContact O-N 3.13Å; E25-R28 PolarHBondContact O-N 3.37Å; F26-R28 VanDerWaalsContact C-N 3.34Å; F26-R28 PolarHBondContact O-N 3.03Å; R28-R31 PolarHBondContact O-N 3.41Å; R28-D32 PolarHBondContact O-N 3.07Å
29I90.2Very high87.6Confident41 Ų4162.3 Ų62.321%0.2130%0.302CS..Hα-helixtrans-65.1-45.1179.1-73.3159.7000110.4L21 E25 F26 R31 D32 I33 I270L21-I29 HydrophobicContact CD1-CD1 3.44Å; L21-I29 VanDerWaalsContact CD1-CD1 3.44Å; L21-I29 HydrophobicContact CD2-CD1 4.49Å; E25-I29 WeakPolarHBondContact O-CB 3.23Å; E25-I29 WeakPolarHBondContact O-CD1 3.5Å; E25-I29 WeakPolarHBondContact O-CG1 3.39Å; E25-I29 PolarHBondContact O-N 3.08Å; F26-I29 PolarHBondContact O-N 2.83Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.14Å; I29-D32 PolarHBondContact O-N 2.96Å; I29-I33 HydrophobicContact CG2-CD1 3.63Å; I29-I33 HydrophobicContact CG2-CG1 4.28Å; I29-I33 WeakPolarHBondContact O-CB 3.46Å; I29-I33 WeakPolarHBondContact O-CG1 3.5Å; I29-I33 PolarHBondContact O-N 3.05Å; I29-I270 HydrophobicContact CG2-CD1 4.43Å
30S92.7Very high89.7Confident31 Ų3155.7 Ų55.722%0.21727%0.267CS..Hα-helixtrans-57.6-43.4177.5-58.30000111.4F26 E27 Y34 I270F26-S30 WeakPolarHBondContact CE1-OG 3.2Å; F26-S30 VanDerWaalsContact O-CB 3.31Å; F26-S30 WeakPolarHBondContact O-CB 3.33Å; F26-S30 PolarHBondContact O-N 3.32Å; F26-S30 PolarHBondContact O-OG 3.44Å; E27-S30 PolarHBondContact O-N 3.22Å; S30-Y34 VanDerWaalsContact O-CB 3.31Å; S30-Y34 WeakPolarHBondContact O-CB 3.41Å; S30-Y34 PolarHBondContact O-N 2.84Å; S30-I270 WeakPolarHBondContact OG-CD1 3.2Å
31R95.2Very high91.3Very high156 Ų15650.6 Ų50.659%0.58924%0.24SC*.Hα-helixtrans-68-42.6177.5-72.417867.4-175.10.9112.7E27 R28 I29 S35E27-R31 WeakPolarHBondContact O-CB 3.1Å; E27-R31 VanDerWaalsContact O-CG 3.28Å; E27-R31 WeakPolarHBondContact O-CG 3.4Å; E27-R31 PolarHBondContact O-N 3Å; R28-R31 PolarHBondContact O-N 3.41Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.14Å; R31-S35 WeakPolarHBondContact O-CB 3.35Å; R31-S35 PolarHBondContact O-N 3.46Å; R31-S35 PolarHBondContact O-OG 3.4Å
32D95.5Very high92.8Very high40 Ų4049.3 Ų49.321%0.21423%0.233CC..Hα-helixtrans-65.7-38.9177.9-172.341.1000111.7R28 I29 S35 K36 R81R28-D32 PolarHBondContact O-N 3.07Å; I29-D32 PolarHBondContact O-N 2.96Å; D32-S35 PolarHBondContact O-N 3.38Å; D32-K36 PolarHBondContact O-N 2.84Å; D32-K36 PolarHBondContact O-NZ 3.05Å; D32-K36 VanDerWaalsContact O-NZ 3.07Å; D32-K36 IonicContact OD1-NZ 3.95Å; D32-K36 PolarHBondContact OD1-NZ 2.98Å; D32-K36 IonicContact OD2-NZ 3.07Å; D32-R81 IonicContact OD1-NH1 3.73Å; D32-R81 PolarHBondContact OD1-NH1 3.41Å; D32-R81 VanDerWaalsContact OD1-NH1 3.09Å; D32-R81 IonicContact OD2-NH1 3.04Å; D32-R81 IonicContact OD2-NH2 3.54Å; D32-R81 PolarHBondContact OD2-NH2 3.23Å
33I96.1Very high93.6Very high8 Ų850 Ų504%0.04123%0.227CC..Hα-helixtrans-66-49.4175.2-70.7175.1000110.7I29 S35 K36 I232 L242 T267 I270I29-I33 HydrophobicContact CG2-CD1 3.63Å; I29-I33 HydrophobicContact CG2-CG1 4.28Å; I29-I33 WeakPolarHBondContact O-CB 3.46Å; I29-I33 WeakPolarHBondContact O-CG1 3.5Å; I29-I33 PolarHBondContact O-N 3.05Å; I33-S35 PolarHBondContact O-N 2.94Å; I33-S35 VanDerWaalsContact O-N 3.16Å; I33-K36 WeakPolarHBondContact O-CB 3.32Å; I33-K36 PolarHBondContact O-N 3.18Å; I33-I232 HydrophobicContact CD1-CD1 4.43Å; I33-I232 HydrophobicContact CG1-CD1 3.86Å; I33-L242 HydrophobicContact CG2-CD2 4.23Å; I33-T267 HydrophobicContact CG2-CG2 4.34Å; I33-I270 HydrophobicContact CD1-CB 4.21Å; I33-I270 HydrophobicContact CD1-CG1 3.92Å; I33-I270 HydrophobicContact CD1-CG2 3.78Å
34Y97.2Very high94.4Very high81 Ų8149.5 Ų49.532%0.31823%0.23SC..Hα-helixtrans-58.7-30176.1-174.5-99.7000111.8S30 K36 F85 H266 T267 M268S30-Y34 VanDerWaalsContact O-CB 3.31Å; S30-Y34 WeakPolarHBondContact O-CB 3.41Å; S30-Y34 PolarHBondContact O-N 2.84Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 3.5Å; Y34-F85 HydrophobicContact CD1-CB 4.08Å; Y34-F85 HydrophobicContact CD1-CD1 4.25Å; Y34-F85 HydrophobicContact CD1-CG 4.27Å; Y34-F85 HydrophobicContact CE1-CB 4.24Å; Y34-F85 AromaticContact CE1-CD1 3.57Å; Y34-F85 HydrophobicContact CE1-CD1 3.57Å; Y34-F85 HydrophobicContact CE1-CE1 4.05Å; Y34-F85 AromaticContact CE1-CG 3.94Å; Y34-F85 HydrophobicContact CE1-CG 3.94Å; Y34-H266 HydrophobicContact CD2-CB 4.03Å; Y34-H266 HydrophobicContact CE2-CB 3.71Å; Y34-H266 PolarHBondContact O-ND1 2.84Å; Y34-T267 WeakPolarHBondContact CA-O 3.39Å; Y34-M268 HydrophobicContact CD2-CG 3.82Å; Y34-M268 HydrophobicContact CE2-CG 4.12Å
35S97.7Very high95Very high4 Ų446.6 Ų46.63%0.02821%0.205CC..THydrogen-bonded Turntrans-75.5-15.2177.4-52.40000114.8R31 D32 I33 W83 L84 F85R31-S35 WeakPolarHBondContact O-CB 3.35Å; R31-S35 PolarHBondContact O-N 3.46Å; R31-S35 PolarHBondContact O-OG 3.4Å; D32-S35 PolarHBondContact O-N 3.38Å; I33-S35 PolarHBondContact O-N 2.94Å; I33-S35 VanDerWaalsContact O-N 3.16Å; S35-W83 WeakPolarHBondContact O-CZ3 3.43Å; S35-L84 WeakPolarHBondContact OG-CA 3.25Å; S35-F85 PolarHBondContact OG-N 2.81Å
36K97.9Very high95.7Very high11 Ų1146.7 Ų46.75%0.04821%0.211CC..SBendtrans-71.5137.5173-58.2-73.5159.6-69.60108.9D32 I33 Y34 W38 Q72 L242 H266D32-K36 PolarHBondContact O-N 2.84Å; D32-K36 PolarHBondContact O-NZ 3.05Å; D32-K36 VanDerWaalsContact O-NZ 3.07Å; D32-K36 IonicContact OD1-NZ 3.95Å; D32-K36 PolarHBondContact OD1-NZ 2.98Å; D32-K36 IonicContact OD2-NZ 3.07Å; I33-K36 WeakPolarHBondContact O-CB 3.32Å; I33-K36 PolarHBondContact O-N 3.18Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-K36 PolarHBondContact O-N 3.5Å; K36-W38 PolarHBondContact O-N 2.9Å; K36-Q72 HydrophobicContact CD-CG 4.38Å; K36-L242 HydrophobicContact CB-CD1 3.72Å; K36-L242 HydrophobicContact CG-CD1 4.29Å; K36-H266 PolarHBondContact O-ND1 2.63Å
37T97.9Very high96.2Very high2 Ų248.6 Ų48.61%0.01223%0.226CC..  trans-70.1126.9166.951.20000109.4M68 A71 Y91 L95 Y265T37-M68 WeakPolarHBondContact O-CG 3.35Å; T37-A71 HydrophobicContact CG2-CB 4.49Å; T37-A71 WeakPolarHBondContact OG1-CB 3.47Å; T37-Y91 HydrophobicContact CG2-CE2 4.34Å; T37-L95 HydrophobicContact CG2-CD1 4.16Å; T37-Y265 CarbonylContact C-O 3.53Å; T37-Y265 WeakPolarHBondContact CA-O 3.42Å
38W98.6Very high96.5Very high25 Ų2544.1 Ų44.110%0.09521%0.205CC..  trans-111.8109.3-176.4-179.747.8000110K36 T40 D243 I246 Y265 T267K36-W38 PolarHBondContact O-N 2.9Å; W38-T40 HydrophobicContact CD2-CG2 3.61Å; W38-T40 HydrophobicContact CE3-CG2 4.02Å; W38-T40 HydrophobicContact CG-CG2 4.24Å; W38-T40 HydrophobicContact CH2-CG2 3.77Å; W38-T40 HydrophobicContact CZ2-CG2 3.3Å; W38-T40 HydrophobicContact CZ3-CG2 4.09Å; W38-D243 PolarHBondContact NE1-O 3.27Å; W38-I246 HydrophobicContact CH2-CD1 3.81Å; W38-I246 HydrophobicContact CZ2-CD1 3.97Å; W38-Y265 PolarHBondContact N-O 3.47Å; W38-Y265 WeakPolarHBondContact O-CA 3.42Å; W38-T267 HydrophobicContact CB-CG2 4.38Å; W38-T267 HydrophobicContact CD2-CG2 4.12Å; W38-T267 HydrophobicContact CG-CG2 4.07Å
39F98.6Very high96.5Very high2 Ų238.7 Ų38.71%0.00920%0.201CC..  trans-102.7126.5175.9-55.3-74.1000109.2R64 Q67 M68 A71 L95 F98 Y265F39-R64 HydrophobicContact CB-CB 4.44Å; F39-Q67 HydrophobicContact CB-CB 4.25Å; F39-Q67 HydrophobicContact CD2-CB 3.53Å; F39-Q67 HydrophobicContact CE2-CB 4.05Å; F39-Q67 HydrophobicContact CG-CB 3.95Å; F39-M68 HydrophobicContact CB-CG 4.04Å; F39-M68 HydrophobicContact CD2-CB 4.22Å; F39-M68 HydrophobicContact CD2-CG 3.58Å; F39-M68 HydrophobicContact CG-CG 4.27Å; F39-A71 HydrophobicContact CE2-CB 3.55Å; F39-A71 HydrophobicContact CZ-CB 4Å; F39-L95 HydrophobicContact CE1-CD1 4.04Å; F39-L95 HydrophobicContact CZ-CD1 4.2Å; F39-F98 HydrophobicContact CD1-CB 4.25Å; F39-F98 HydrophobicContact CE1-CB 3.45Å; F39-F98 VanDerWaalsContact CE1-CB 3.45Å; F39-F98 HydrophobicContact CE1-CD2 4.48Å; F39-F98 HydrophobicContact CE1-CG 4Å; F39-F98 HydrophobicContact CE2-CB 4.37Å; F39-F98 HydrophobicContact CE2-CD1 4.2Å; F39-F98 HydrophobicContact CE2-CD2 4.4Å; F39-F98 HydrophobicContact CE2-CG 4.06Å; F39-F98 HydrophobicContact CZ-CB 3.53Å; F39-F98 HydrophobicContact CZ-CD1 4.1Å; F39-F98 AromaticContact CZ-CD2 3.75Å; F39-F98 HydrophobicContact CZ-CD2 3.75Å; F39-F98 AromaticContact CZ-CG 3.51Å; F39-F98 HydrophobicContact CZ-CG 3.51Å; F39-Y265 AromaticContact CD1-CD1 3.64Å; F39-Y265 HydrophobicContact CD1-CD1 3.64Å; F39-Y265 AromaticContact CD1-CE1 3.75Å; F39-Y265 HydrophobicContact CD1-CE1 3.75Å; F39-Y265 AromaticContact CE1-CD1 3.59Å; F39-Y265 HydrophobicContact CE1-CD1 3.59Å; F39-Y265 AromaticContact CE1-CE1 3.77Å; F39-Y265 HydrophobicContact CE1-CE1 3.77Å
40T98.7Very high96.6Very high0 Ų039.5 Ų39.50%022%0.22CC..  trans-118.8176.8178.873.30000110.1W38 R42 R64 P244 I246 Q248W38-T40 HydrophobicContact CD2-CG2 3.61Å; W38-T40 HydrophobicContact CE3-CG2 4.02Å; W38-T40 HydrophobicContact CG-CG2 4.24Å; W38-T40 HydrophobicContact CH2-CG2 3.77Å; W38-T40 HydrophobicContact CZ2-CG2 3.3Å; W38-T40 HydrophobicContact CZ3-CG2 4.09Å; T40-R42 PolarHBondContact O-N 3.15Å; T40-R64 WeakPolarHBondContact O-CD 3.49Å; T40-R64 PolarHBondContact O-NE 3.18Å; T40-P244 CarbonylContact C-O 3.55Å; T40-P244 VanDerWaalsContact CA-O 3.29Å; T40-P244 WeakPolarHBondContact CA-O 3.42Å; T40-P244 WeakPolarHBondContact CB-O 3.43Å; T40-I246 WeakPolarHBondContact CB-O 3.42Å; T40-I246 PolarHBondContact OG1-O 3.1Å; T40-Q248 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q248 PolarHBondContact OG1-NE2 3.05Å
41Y98.7Very high96.7Very high9 Ų944.8 Ų44.84%0.03525%0.25CS..  trans-50.2139.1165-64.3-43.4000111.3D56 Q57 C61 P244 H245 I246 C247 Q248Y41-D56 VanDerWaalsContact CD1-O 3.32Å; Y41-D56 WeakPolarHBondContact CD1-O 3.45Å; Y41-D56 WeakPolarHBondContact CD1-OD2 3.41Å; Y41-D56 VanDerWaalsContact CE1-O 3.26Å; Y41-D56 WeakPolarHBondContact CE1-O 3.38Å; Y41-Q57 HydrophobicContact CD2-CB 4.32Å; Y41-Q57 HydrophobicContact CD2-CG 3.99Å; Y41-Q57 HydrophobicContact CE2-CG 4.39Å; Y41-Q57 HydrophobicContact CG-CB 4.19Å; Y41-Q57 HydrophobicContact CG-CG 4.37Å; Y41-C61 HydrophobicContact CE1-CB 3.99Å; Y41-C61 VanDerWaalsContact OH-CB 3.32Å; Y41-C61 WeakPolarHBondContact OH-CB 3.3Å; Y41-P244 PolarHBondContact N-O 3.43Å; Y41-H245 HydrophobicContact CE2-CB 4.16Å; Y41-H245 AromaticContact CE2-CD2 3.72Å; Y41-H245 AromaticContact CZ-CD2 3.86Å; Y41-H245 PolarHBondContact OH-CD2 3.26Å; Y41-I246 PolarHBondContact N-O 3.3Å; Y41-I246 VanDerWaalsContact O-O 3.06Å; Y41-C247 WeakPolarHBondContact O-CA 3.5Å; Y41-Q248 PolarHBondContact O-N 3.32Å
42R98.6Very high96.7Very high3 Ų338.7 Ų38.71%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-124153.2176.1-64.2-76.3-174.7171.5-1.5110.3T40 F45 S55 D56 D100 Q248 S249 S264 Y265T40-R42 PolarHBondContact O-N 3.15Å; R42-F45 HydrophobicContact CB-CD1 3.86Å; R42-F45 HydrophobicContact CB-CE1 4.08Å; R42-F45 VanDerWaalsContact O-CE1 3.31Å; R42-F45 WeakPolarHBondContact O-CE1 3.5Å; R42-S55 VanDerWaalsContact O-CA 3.24Å; R42-S55 WeakPolarHBondContact O-CA 3.38Å; R42-S55 PolarHBondContact O-OG 3.31Å; R42-D56 PolarHBondContact N-OD1 2.96Å; R42-D56 PolarHBondContact O-N 3.34Å; R42-D100 WeakPolarHBondContact CG-OD2 3.08Å; R42-Q248 CarbonylContact C-O 3.5Å; R42-Q248 WeakPolarHBondContact CA-O 3.09Å; R42-S249 PolarHBondContact NH1-O 2.94Å; R42-S264 PolarHBondContact NH1-OG 2.75Å; R42-S264 PolarHBondContact NH2-O 2.98Å; R42-S264 PolarHBondContact NH2-OG 3.02Å; R42-Y265 VanDerWaalsContact NH2-CE1 3.27Å
43R98.3Very high96.8Very high97 Ų9738.8 Ų38.837%0.36624%0.239SC..EExtended strand (participates in β ladder)trans-130.2159.9172.661.1175.2175.7-90.9-6.4111.1F45 T54 C247 Q248 S249 V250R43-F45 VanDerWaalsContact C-N 3.27Å; R43-F45 PolarHBondContact O-N 3.1Å; R43-T54 CarbonylContact C-O 3.25Å; R43-C247 PolarHBondContact NH1-O 3.12Å; R43-C247 PolarHBondContact NH1-SG 3.33Å; R43-C247 VanDerWaalsContact NH1-SG 3.4Å; R43-Q248 PolarHBondContact N-O 2.84Å; R43-S249 PolarHBondContact NE-OG 3.05Å; R43-S249 PolarHBondContact NH2-OG 2.85Å; R43-V250 PolarHBondContact O-N 3.36Å
44N97.6Very high96.8Very high114 Ų11441.6 Ų41.661%0.6126%0.257SS*.SBendtrans6722.4178.5-50.2-36.5000114.1T54 V250N44-T54 PolarHBondContact N-O 3.49Å; N44-V250 HydrophobicContact CB-CG1 4.47Å; N44-V250 WeakPolarHBondContact O-CG1 3.45Å
45F97.6Very high96.9Very high4 Ų439.2 Ų39.22%0.01825%0.252CS..PPolyproline II helixtrans-76.9159.2166.152.4-117.2000110.6R42 R43 I48 P53 T54 S55 D56 D100 I108 H109 V250R42-F45 HydrophobicContact CB-CD1 3.86Å; R42-F45 HydrophobicContact CB-CE1 4.08Å; R42-F45 VanDerWaalsContact O-CE1 3.31Å; R42-F45 WeakPolarHBondContact O-CE1 3.5Å; R43-F45 VanDerWaalsContact C-N 3.27Å; R43-F45 PolarHBondContact O-N 3.1Å; F45-I48 HydrophobicContact CE2-CD1 4Å; F45-I48 HydrophobicContact CE2-CG1 3.97Å; F45-I48 HydrophobicContact CZ-CD1 4.34Å; F45-P53 WeakPolarHBondContact CE2-O 3.45Å; F45-T54 PolarHBondContact N-O 3.39Å; F45-T54 WeakPolarHBondContact O-CB 3.35Å; F45-S55 VanDerWaalsContact CZ-N 3.33Å; F45-D56 HydrophobicContact CE1-CB 4.3Å; F45-D56 HydrophobicContact CZ-CB 4.15Å; F45-D100 HydrophobicContact CB-CB 3.63Å; F45-D100 WeakPolarHBondContact CB-O 3.39Å; F45-D100 HydrophobicContact CD1-CB 3.92Å; F45-D100 HydrophobicContact CG-CB 4.03Å; F45-I108 HydrophobicContact CD1-CG2 4.36Å; F45-I108 HydrophobicContact CE1-CG2 4.09Å; F45-I108 HydrophobicContact CE2-CG2 4.49Å; F45-I108 HydrophobicContact CZ-CG2 4.15Å; F45-H109 AromaticContact CD2-CE1 3.79Å; F45-H109 AromaticContact CD2-NE2 3.87Å; F45-V250 HydrophobicContact CB-CB 4.37Å; F45-V250 HydrophobicContact CB-CG2 4.29Å
46P96.6Very high96.9Very high69 Ų6939 Ų3945%0.44825%0.251SS..PPolyproline II helixtrans-54.4144.9177.1-26.135.5000112.1I48 D100 H109P46-I48 PolarHBondContact O-N 3Å; P46-D100 WeakPolarHBondContact CD-O 3.44Å; P46-H109 PolarHBondContact O-NE2 3.12Å
47P97.4Very high96.9Very high60 Ų6043.9 Ų43.939%0.3927%0.274SS..PPolyproline II helixtrans-55.1130-178.5-23.932.1000112.9G49 G50 T54P47-G49 PolarHBondContact O-N 3.3Å; P47-G50 WeakPolarHBondContact CB-O 3.41Å; P47-G50 PolarHBondContact O-N 3.08Å; P47-T54 HydrophobicContact CB-CG2 4.16Å; P47-T54 HydrophobicContact CG-CG2 3.78Å
48I96.3Very high96.9Very high2 Ų245.8 Ų45.81%0.0129%0.294CS..G310 helixtrans-66.1128175.2-57.8173.3000108.9F45 P46 G50 G52 P53 W59 A112 I122F45-I48 HydrophobicContact CE2-CD1 4Å; F45-I48 HydrophobicContact CE2-CG1 3.97Å; F45-I48 HydrophobicContact CZ-CD1 4.34Å; P46-I48 PolarHBondContact O-N 3Å; I48-G50 PolarHBondContact O-N 3.24Å; I48-G52 WeakPolarHBondContact O-CA 3.42Å; I48-G52 PolarHBondContact O-N 2.82Å; I48-P53 PolarHBondContact N-O 3.22Å; I48-P53 VanDerWaalsContact N-O 3.16Å; I48-W59 HydrophobicContact CD1-CH2 3.71Å; I48-W59 HydrophobicContact CD1-CZ2 4.04Å; I48-A112 HydrophobicContact CD1-CB 4.27Å; I48-A112 HydrophobicContact CG2-CB 4.32Å; I48-I122 HydrophobicContact CB-CG2 4.35Å; I48-I122 HydrophobicContact CD1-CG2 4.46Å; I48-I122 HydrophobicContact CG2-CD1 3.84Å; I48-I122 HydrophobicContact CG2-CG1 4.3Å; I48-I122 HydrophobicContact CG2-CG2 4.04Å
49G90.1Very high96.8Very high54 Ų5445.8 Ų45.856%0.55729%0.294SS*.G310 helixtrans63.121.7-176.400000114.3P47 T51P47-G49 PolarHBondContact O-N 3.3Å; G49-T51 PolarHBondContact O-N 3.21Å
50G91.7Very high96.8Very high58 Ų5845.7 Ų45.760%0.59829%0.294SS*.G310 helixtrans80.1-29.317800000115.6P47 I48P47-G50 WeakPolarHBondContact CB-O 3.41Å; P47-G50 PolarHBondContact O-N 3.08Å; I48-G50 PolarHBondContact O-N 3.24Å
51T93.9Very high96.8Very high141 Ų14145.7 Ų45.787%0.86529%0.294SS*.THydrogen-bonded Turntrans-129.4-218058.20000114.7G49G49-T51 PolarHBondContact O-N 3.21Å
52G95.2Very high96.8Very high29 Ų2945.3 Ų45.330%0.29929%0.292SS..SBendtrans-79.3-165.2-178.500000114.1I48I48-G52 WeakPolarHBondContact O-CA 3.42Å; I48-G52 PolarHBondContact O-N 2.82Å
53P97.2Very high96.8Very high42 Ų4245.1 Ų45.127%0.27329%0.292SS..  trans-58.7149.6-177.9-23.133.6000113.2F45 I48 S55 W59 I122F45-P53 WeakPolarHBondContact CE2-O 3.45Å; I48-P53 PolarHBondContact N-O 3.22Å; I48-P53 VanDerWaalsContact N-O 3.16Å; P53-S55 WeakPolarHBondContact CB-O 3.47Å; P53-W59 HydrophobicContact CB-CZ2 3.97Å; P53-W59 HydrophobicContact CG-CZ2 3.99Å; P53-I122 HydrophobicContact CG-CG2 4.14Å
54T98Very high96.8Very high67 Ų6740.6 Ų40.641%0.41127%0.274SS..SBendtrans-110.410.717056.10000112.2R43 N44 F45 P47R43-T54 CarbonylContact C-O 3.25Å; N44-T54 PolarHBondContact N-O 3.49Å; F45-T54 PolarHBondContact N-O 3.39Å; F45-T54 WeakPolarHBondContact O-CB 3.35Å; P47-T54 HydrophobicContact CB-CG2 4.16Å; P47-T54 HydrophobicContact CG-CG2 3.78Å
55S98.4Very high96.8Very high31 Ų3135.1 Ų35.122%0.21725%0.245CC..BIsolated β-bridgetrans-149.8141.3173.51760000108.7R42 F45 P53 Q57 W59R42-S55 VanDerWaalsContact O-CA 3.24Å; R42-S55 WeakPolarHBondContact O-CA 3.38Å; R42-S55 PolarHBondContact O-OG 3.31Å; F45-S55 VanDerWaalsContact CZ-N 3.33Å; P53-S55 WeakPolarHBondContact CB-O 3.47Å; S55-Q57 WeakPolarHBondContact OG-CB 3.24Å; S55-Q57 PolarHBondContact OG-N 3.27Å; S55-W59 PolarHBondContact O-NE1 2.92Å; S55-W59 VanDerWaalsContact O-NE1 3.15Å
56D98.4Very high96.9Very high0 Ų035 Ų350%025%0.245CC..  trans-984.4174.872.3-59.6000113.2Y41 R42 F45 G58 W59 G60 R64 I108Y41-D56 VanDerWaalsContact CD1-O 3.32Å; Y41-D56 WeakPolarHBondContact CD1-O 3.45Å; Y41-D56 WeakPolarHBondContact CD1-OD2 3.41Å; Y41-D56 VanDerWaalsContact CE1-O 3.26Å; Y41-D56 WeakPolarHBondContact CE1-O 3.38Å; R42-D56 PolarHBondContact N-OD1 2.96Å; R42-D56 PolarHBondContact O-N 3.34Å; F45-D56 HydrophobicContact CE1-CB 4.3Å; F45-D56 HydrophobicContact CZ-CB 4.15Å; D56-G58 PolarHBondContact O-N 2.84Å; D56-W59 VanDerWaalsContact CA-CE2 3.49Å; D56-W59 HydrophobicContact CB-CD2 4.48Å; D56-W59 HydrophobicContact CB-CH2 4.16Å; D56-W59 HydrophobicContact CB-CZ2 3.73Å; D56-W59 PolarHBondContact O-N 2.65Å; D56-G60 PolarHBondContact O-N 3.19Å; D56-R64 IonicContact OD1-CZ 3.47Å; D56-R64 IonicContact OD1-NE 3.35Å; D56-R64 IonicContact OD1-NH2 3.09Å; D56-R64 PolarHBondContact OD1-NH2 2.86Å; D56-R64 WeakPolarHBondContact OD2-CG 3.4Å; D56-R64 IonicContact OD2-CZ 2.66Å; D56-R64 IonicContact OD2-NE 3.72Å; D56-R64 PolarHBondContact OD2-NE 2.87Å; D56-R64 IonicContact OD2-NH2 2.81Å; D56-R64 PolarHBondContact OD2-NH2 2.89Å; D56-I108 HydrophobicContact CB-CD1 4.14Å; D56-I108 HydrophobicContact CB-CG1 3.9Å
57Q97.8Very high97Very high112 Ų11231.7 Ų31.752%0.52322%0.224SC..THydrogen-bonded Turntrans-57.4125.9178.3-173.9172.27.900111.6Y41 S55 C247Y41-Q57 HydrophobicContact CD2-CB 4.32Å; Y41-Q57 HydrophobicContact CD2-CG 3.99Å; Y41-Q57 HydrophobicContact CE2-CG 4.39Å; Y41-Q57 HydrophobicContact CG-CB 4.19Å; Y41-Q57 HydrophobicContact CG-CG 4.37Å; S55-Q57 WeakPolarHBondContact OG-CB 3.24Å; S55-Q57 PolarHBondContact OG-N 3.27Å; Q57-C247 HydrophobicContact CG-CB 4.28Å; Q57-C247 VanDerWaalsContact OE1-CB 3.3Å; Q57-C247 PolarHBondContact OE1-SG 3.26Å
58G96.2Very high97.1Very high43 Ų4328.9 Ų28.944%0.44321%0.205SC..THydrogen-bonded Turntrans93.6-7.3176.500000115.1D56 N226D56-G58 PolarHBondContact O-N 2.84Å; G58-N226 PolarHBondContact O-OD1 2.81Å
59W97.3Very high97.2Very high25 Ų2528.8 Ų28.810%0.09521%0.205CC..THydrogen-bonded Turntrans-141.4-27.6179.460.7-88.5000114.2I48 P53 S55 D56 C61 L63 I108 A112 I122 G123I48-W59 HydrophobicContact CD1-CH2 3.71Å; I48-W59 HydrophobicContact CD1-CZ2 4.04Å; P53-W59 HydrophobicContact CB-CZ2 3.97Å; P53-W59 HydrophobicContact CG-CZ2 3.99Å; S55-W59 PolarHBondContact O-NE1 2.92Å; S55-W59 VanDerWaalsContact O-NE1 3.15Å; D56-W59 VanDerWaalsContact CA-CE2 3.49Å; D56-W59 HydrophobicContact CB-CD2 4.48Å; D56-W59 HydrophobicContact CB-CH2 4.16Å; D56-W59 HydrophobicContact CB-CZ2 3.73Å; D56-W59 PolarHBondContact O-N 2.65Å; W59-C61 PolarHBondContact O-N 3.35Å; W59-L63 HydrophobicContact CZ3-CD2 3.95Å; W59-I108 HydrophobicContact CH2-CG1 4.47Å; W59-A112 HydrophobicContact CH2-CB 4.17Å; W59-A112 HydrophobicContact CZ3-CB 4.19Å; W59-I122 HydrophobicContact CH2-CG2 4.41Å; W59-G123 WeakPolarHBondContact CB-O 3.36Å; W59-G123 VanDerWaalsContact CD2-CA 3.49Å
60G98.3Very high97.6Very high0 Ų026.3 Ų26.30%018%0.179CC..  trans-79.21.1-173.900000116.8D56 M62 L63 R64D56-G60 PolarHBondContact O-N 3.19Å; G60-M62 PolarHBondContact O-N 3.4Å; G60-L63 WeakPolarHBondContact O-CA 3.42Å; G60-L63 WeakPolarHBondContact O-CB 3.47Å; G60-L63 PolarHBondContact O-N 2.88Å; G60-R64 WeakPolarHBondContact O-CG 3.37Å; G60-R64 PolarHBondContact O-N 2.98Å
61C98.4Very high97.9Very high0 Ų023.6 Ų23.60%015%0.15CC..Hα-helixtrans-61.5-40.8-166.653.30000113.6Y41 W59 L63 R64 C65 N226 A228 P244 H245Y41-C61 HydrophobicContact CE1-CB 3.99Å; Y41-C61 VanDerWaalsContact OH-CB 3.32Å; Y41-C61 WeakPolarHBondContact OH-CB 3.3Å; W59-C61 PolarHBondContact O-N 3.35Å; C61-L63 VanDerWaalsContact C-N 3.32Å; C61-L63 PolarHBondContact O-N 3.13Å; C61-R64 PolarHBondContact O-N 3.03Å; C61-C65 PolarHBondContact O-N 2.96Å; C61-C65 PolarHBondContact O-SG 3.01Å; C61-N226 VanDerWaalsContact SG-CA 3.56Å; C61-A228 HydrophobicContact CB-CB 4.08Å; C61-P244 HydrophobicContact CB-CG 3.75Å; C61-H245 WeakPolarHBondContact CB-NE2 3.35Å
62M98.6Very high98.2Very high0 Ų017.2 Ų17.20%011%0.111CC..Hα-helixtrans-68.3-33.4176-175.160.471.400111.8G60 C65 G66 W125 F126 P128 I131 L221 A228G60-M62 PolarHBondContact O-N 3.4Å; M62-C65 PolarHBondContact O-N 3.43Å; M62-C65 HydrophobicContact SD-CB 4.41Å; M62-G66 PolarHBondContact O-N 2.8Å; M62-W125 HydrophobicContact CE-CZ2 3.96Å; M62-F126 HydrophobicContact CB-CB 4.24Å; M62-F126 WeakPolarHBondContact CB-O 3.43Å; M62-F126 HydrophobicContact CG-CB 4.12Å; M62-F126 WeakPolarHBondContact CG-O 3.42Å; M62-P128 HydrophobicContact CE-CG 3.78Å; M62-I131 HydrophobicContact CG-CB 4.11Å; M62-I131 HydrophobicContact CG-CG2 3.76Å; M62-I131 HydrophobicContact SD-CG2 3.97Å; M62-L221 HydrophobicContact SD-CB 4.16Å; M62-L221 HydrophobicContact SD-CD1 4.4Å; M62-A228 HydrophobicContact CB-CB 3.91Å; M62-A228 HydrophobicContact CE-CB 3.59Å; M62-A228 HydrophobicContact SD-CB 4.13Å
63L98.6Very high98.3Very high0 Ų015.8 Ų15.80%010%0.096CC..Hα-helixtrans-64.9-44.5176.3-70.465.3000109.6W59 G60 C61 C65 G66 Q67 I108 I111 A112 F126 I131W59-L63 HydrophobicContact CZ3-CD2 3.95Å; G60-L63 WeakPolarHBondContact O-CA 3.42Å; G60-L63 WeakPolarHBondContact O-CB 3.47Å; G60-L63 PolarHBondContact O-N 2.88Å; C61-L63 VanDerWaalsContact C-N 3.32Å; C61-L63 PolarHBondContact O-N 3.13Å; L63-C65 PolarHBondContact O-N 2.83Å; L63-G66 PolarHBondContact O-N 3.18Å; L63-Q67 WeakPolarHBondContact O-CG 3.25Å; L63-Q67 PolarHBondContact O-N 3.3Å; L63-I108 HydrophobicContact CB-CD1 3.66Å; L63-I108 HydrophobicContact CD2-CD1 3.56Å; L63-I108 HydrophobicContact CG-CD1 4.26Å; L63-I111 HydrophobicContact CB-CG2 3.89Å; L63-I111 HydrophobicContact CD2-CB 4.33Å; L63-I111 HydrophobicContact CD2-CG2 3.65Å; L63-I111 HydrophobicContact CG-CG2 3.52Å; L63-A112 HydrophobicContact CD2-CB 4.25Å; L63-F126 HydrophobicContact CD1-CB 4Å; L63-F126 HydrophobicContact CD1-CD1 3.94Å; L63-F126 HydrophobicContact CD1-CD2 3.53Å; L63-F126 HydrophobicContact CD1-CE1 4.2Å; L63-F126 HydrophobicContact CD1-CE2 3.85Å; L63-F126 HydrophobicContact CD1-CG 3.56Å; L63-F126 HydrophobicContact CD1-CZ 4.16Å; L63-F126 HydrophobicContact CD2-CE2 4.1Å; L63-F126 HydrophobicContact CD2-CZ 4.16Å; L63-F126 HydrophobicContact CG-CD2 3.89Å; L63-F126 HydrophobicContact CG-CE2 3.85Å; L63-F126 HydrophobicContact CG-CG 4.42Å; L63-F126 HydrophobicContact CG-CZ 4.33Å; L63-I131 HydrophobicContact CG-CD1 4.48Å
64R98.8Very high98.4Very high1 Ų113.8 Ų13.80%0.0048%0.083CC..Hα-helixtrans-62-40.3173.5-61.8-51-177.5174.32113F39 T40 D56 G60 C61 G66 Q67 M68 D100 P244F39-R64 HydrophobicContact CB-CB 4.44Å; T40-R64 WeakPolarHBondContact O-CD 3.49Å; T40-R64 PolarHBondContact O-NE 3.18Å; D56-R64 IonicContact OD1-CZ 3.47Å; D56-R64 IonicContact OD1-NE 3.35Å; D56-R64 IonicContact OD1-NH2 3.09Å; D56-R64 PolarHBondContact OD1-NH2 2.86Å; D56-R64 WeakPolarHBondContact OD2-CG 3.4Å; D56-R64 IonicContact OD2-CZ 2.66Å; D56-R64 IonicContact OD2-NE 3.72Å; D56-R64 PolarHBondContact OD2-NE 2.87Å; D56-R64 IonicContact OD2-NH2 2.81Å; D56-R64 PolarHBondContact OD2-NH2 2.89Å; G60-R64 WeakPolarHBondContact O-CG 3.37Å; G60-R64 PolarHBondContact O-N 2.98Å; C61-R64 PolarHBondContact O-N 3.03Å; R64-G66 VanDerWaalsContact C-N 3.34Å; R64-Q67 WeakPolarHBondContact O-CB 3.48Å; R64-Q67 PolarHBondContact O-N 3.07Å; R64-M68 WeakPolarHBondContact O-CG 3.35Å; R64-M68 PolarHBondContact O-N 2.94Å; R64-D100 IonicContact CZ-OD1 3.19Å; R64-D100 IonicContact NH1-OD1 2.65Å; R64-D100 PolarHBondContact NH1-OD1 2.85Å; R64-D100 IonicContact NH2-OD1 2.73Å; R64-D100 PolarHBondContact NH2-OD1 3.03Å; R64-P244 HydrophobicContact CB-CB 3.64Å; R64-P244 HydrophobicContact CG-CB 4.29Å
65C98.8Very high98.4Very high0 Ų010.8 Ų10.80%07%0.065CC..Hα-helixtrans-63.1-41.5173.6-63.40000111.6C61 M62 L63 M68 L69 L221 A228C61-C65 PolarHBondContact O-N 2.96Å; C61-C65 PolarHBondContact O-SG 3.01Å; M62-C65 PolarHBondContact O-N 3.43Å; M62-C65 HydrophobicContact SD-CB 4.41Å; L63-C65 PolarHBondContact O-N 2.83Å; C65-M68 HydrophobicContact CB-CE 4.41Å; C65-M68 PolarHBondContact O-N 2.83Å; C65-L69 PolarHBondContact O-N 3.27Å; C65-L221 HydrophobicContact CB-CD2 3.77Å; C65-L221 WeakPolarHBondContact O-CD2 3.36Å; C65-A228 PolarHBondContact SG-O 3.06Å
66G98.8Very high98.4Very high1 Ų110 Ų101%0.016%0.058CC..Hα-helixtrans-59.2-43.6171.900000112.9M62 L63 R64 M68 L69 L70M62-G66 PolarHBondContact O-N 2.8Å; L63-G66 PolarHBondContact O-N 3.18Å; R64-G66 VanDerWaalsContact C-N 3.34Å; G66-M68 PolarHBondContact O-N 3.25Å; G66-L69 PolarHBondContact O-N 3.2Å; G66-L70 VanDerWaalsContact O-CB 3.29Å; G66-L70 WeakPolarHBondContact O-CB 3.26Å; G66-L70 PolarHBondContact O-N 3.35Å
67Q98.9Very high98.3Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-59.1-45.8173.8-69.6-174.9-52.800111.6F39 L63 R64 L69 L70 A71 F98 Y106 I111F39-Q67 HydrophobicContact CB-CB 4.25Å; F39-Q67 HydrophobicContact CD2-CB 3.53Å; F39-Q67 HydrophobicContact CE2-CB 4.05Å; F39-Q67 HydrophobicContact CG-CB 3.95Å; L63-Q67 WeakPolarHBondContact O-CG 3.25Å; L63-Q67 PolarHBondContact O-N 3.3Å; R64-Q67 WeakPolarHBondContact O-CB 3.48Å; R64-Q67 PolarHBondContact O-N 3.07Å; Q67-L69 PolarHBondContact O-N 3.38Å; Q67-L70 PolarHBondContact O-N 2.9Å; Q67-A71 VanDerWaalsContact O-CB 3.25Å; Q67-A71 WeakPolarHBondContact O-CB 3.48Å; Q67-A71 PolarHBondContact O-N 3.25Å; Q67-F98 HydrophobicContact CB-CD1 3.78Å; Q67-F98 HydrophobicContact CB-CE1 4.2Å; Q67-F98 HydrophobicContact CG-CD1 3.91Å; Q67-F98 PolarHBondContact NE2-O 3.17Å; Q67-F98 WeakPolarHBondContact O-CE1 3.33Å; Q67-Y106 PolarHBondContact NE2-O 3.49Å; Q67-I111 HydrophobicContact CG-CD1 3.39Å
68M98.9Very high98.3Very high1 Ų110.1 Ų10.11%0.0056%0.056CC..Hα-helixtrans-62.4-43.8-179.3-70.8-172.2-79.300111.9T37 F39 R64 C65 G66 Q72 Y230 L242 P244T37-M68 WeakPolarHBondContact O-CG 3.35Å; F39-M68 HydrophobicContact CB-CG 4.04Å; F39-M68 HydrophobicContact CD2-CB 4.22Å; F39-M68 HydrophobicContact CD2-CG 3.58Å; F39-M68 HydrophobicContact CG-CG 4.27Å; R64-M68 WeakPolarHBondContact O-CG 3.35Å; R64-M68 PolarHBondContact O-N 2.94Å; C65-M68 HydrophobicContact CB-CE 4.41Å; C65-M68 PolarHBondContact O-N 2.83Å; G66-M68 PolarHBondContact O-N 3.25Å; M68-Q72 PolarHBondContact O-N 2.86Å; M68-Y230 HydrophobicContact CB-CD1 3.47Å; M68-Y230 VanDerWaalsContact CB-CD1 3.47Å; M68-Y230 HydrophobicContact CB-CE1 3.94Å; M68-Y230 HydrophobicContact CB-CG 4.26Å; M68-Y230 HydrophobicContact CG-CD1 4.47Å; M68-Y230 HydrophobicContact SD-CD1 4.32Å; M68-L242 HydrophobicContact CE-CB 4.08Å; M68-L242 HydrophobicContact SD-CB 3.61Å; M68-L242 HydrophobicContact SD-CD1 3.84Å; M68-L242 HydrophobicContact SD-CG 4.39Å; M68-P244 HydrophobicContact CE-CB 4.34Å
69L98.8Very high98.4Very high0 Ų010 Ų100%04%0.044CC..Hα-helixtrans-64.7-46.7177.4-176.4158.6000111.8C65 G66 Q67 Q72 A73 L188 L190 L218 L221 Y230 A285C65-L69 PolarHBondContact O-N 3.27Å; G66-L69 PolarHBondContact O-N 3.2Å; Q67-L69 PolarHBondContact O-N 3.38Å; L69-Q72 PolarHBondContact O-N 2.68Å; L69-A73 PolarHBondContact O-N 3.17Å; L69-L188 HydrophobicContact CD2-CD1 4.14Å; L69-L190 HydrophobicContact CD2-CD2 3.89Å; L69-L218 HydrophobicContact CD2-CD1 4.21Å; L69-L221 HydrophobicContact CB-CD2 3.97Å; L69-L221 HydrophobicContact CD1-CD1 3.92Å; L69-L221 HydrophobicContact CD1-CD2 3.53Å; L69-L221 HydrophobicContact CD1-CG 3.44Å; L69-L221 VanDerWaalsContact CD1-CG 3.44Å; L69-L221 HydrophobicContact CG-CD2 4.46Å; L69-Y230 HydrophobicContact CB-CD2 4.37Å; L69-Y230 HydrophobicContact CB-CE2 3.99Å; L69-Y230 HydrophobicContact CD1-CE2 4.21Å; L69-Y230 HydrophobicContact CG-CE2 4.2Å; L69-A285 HydrophobicContact CD1-CB 3.57Å; L69-A285 HydrophobicContact CD2-CB 3.87Å; L69-A285 HydrophobicContact CG-CB 4Å
70L98.7Very high98.4Very high2 Ų210.1 Ų10.11%0.015%0.054CC..Hα-helixtrans-64.2-44.1179.3-179.656.4000111.2G66 Q67 Q72 A73 L74 F98 Y106 I135 M147 L188G66-L70 VanDerWaalsContact O-CB 3.29Å; G66-L70 WeakPolarHBondContact O-CB 3.26Å; G66-L70 PolarHBondContact O-N 3.35Å; Q67-L70 PolarHBondContact O-N 2.9Å; L70-Q72 VanDerWaalsContact C-N 3.28Å; L70-Q72 PolarHBondContact O-N 3.02Å; L70-A73 WeakPolarHBondContact O-CA 3.41Å; L70-A73 VanDerWaalsContact O-CB 3.27Å; L70-A73 WeakPolarHBondContact O-CB 3.36Å; L70-A73 PolarHBondContact O-N 2.98Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.18Å; L70-F98 HydrophobicContact CB-CE1 4.08Å; L70-F98 HydrophobicContact CB-CZ 4.23Å; L70-F98 HydrophobicContact CD2-CE1 4.06Å; L70-F98 HydrophobicContact CD2-CZ 4.34Å; L70-F98 HydrophobicContact CG-CE1 4.06Å; L70-F98 HydrophobicContact CG-CZ 3.97Å; L70-Y106 HydrophobicContact CD2-CD1 3.35Å; L70-Y106 HydrophobicContact CD2-CD2 3.83Å; L70-Y106 HydrophobicContact CD2-CE1 3.56Å; L70-Y106 HydrophobicContact CD2-CE2 4.03Å; L70-Y106 HydrophobicContact CD2-CG 3.48Å; L70-Y106 VanDerWaalsContact CD2-CG 3.48Å; L70-Y106 HydrophobicContact CG-CD2 4.46Å; L70-I135 HydrophobicContact CB-CD1 4.49Å; L70-I135 HydrophobicContact CD1-CG2 4.01Å; L70-I135 HydrophobicContact CD2-CG1 4.37Å; L70-I135 HydrophobicContact CD2-CG2 4.08Å; L70-M147 HydrophobicContact CD1-CE 3.52Å; L70-L188 HydrophobicContact CD1-CD2 3.89Å
71A98.7Very high98.2Very high0 Ų015.1 Ų15.10%07%0.072CC..Hα-helixtrans-59.8-40.2174.700000111.5T37 F39 Q67 A73 L74 I75 F98T37-A71 HydrophobicContact CG2-CB 4.49Å; T37-A71 WeakPolarHBondContact OG1-CB 3.47Å; F39-A71 HydrophobicContact CE2-CB 3.55Å; F39-A71 HydrophobicContact CZ-CB 4Å; Q67-A71 VanDerWaalsContact O-CB 3.25Å; Q67-A71 WeakPolarHBondContact O-CB 3.48Å; Q67-A71 PolarHBondContact O-N 3.25Å; A71-A73 VanDerWaalsContact C-N 3.28Å; A71-A73 PolarHBondContact O-N 3.11Å; A71-L74 PolarHBondContact O-N 3.28Å; A71-L74 VanDerWaalsContact O-N 3.12Å; A71-I75 VanDerWaalsContact O-CG1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.39Å; A71-I75 PolarHBondContact O-N 3.34Å; A71-F98 VanDerWaalsContact CA-CZ 3.44Å; A71-F98 HydrophobicContact CB-CD2 4.14Å; A71-F98 HydrophobicContact CB-CE1 4.16Å; A71-F98 HydrophobicContact CB-CE2 3.52Å; A71-F98 HydrophobicContact CB-CZ 3.54Å
72Q98.7Very high98Very high7 Ų718.7 Ų18.73%0.03311%0.109CC..Hα-helixtrans-62.2-35.8173.9-173.756.137.900112.4K36 M68 L69 L70 N76 L218K36-Q72 HydrophobicContact CD-CG 4.38Å; M68-Q72 PolarHBondContact O-N 2.86Å; L69-Q72 PolarHBondContact O-N 2.68Å; L70-Q72 VanDerWaalsContact C-N 3.28Å; L70-Q72 PolarHBondContact O-N 3.02Å; Q72-N76 PolarHBondContact NE2-OD1 2.87Å; Q72-N76 WeakPolarHBondContact O-CB 3.48Å; Q72-N76 PolarHBondContact O-N 2.78Å; Q72-N76 PolarHBondContact O-OD1 2.84Å; Q72-L218 HydrophobicContact CB-CD2 4.43Å; Q72-L218 HydrophobicContact CG-CD2 3.88Å
73A98.7Very high98Very high0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-63.3-43.617200000111.7L69 L70 A71 N76 R77 M147 L188 L218 F287L69-A73 PolarHBondContact O-N 3.17Å; L70-A73 WeakPolarHBondContact O-CA 3.41Å; L70-A73 VanDerWaalsContact O-CB 3.27Å; L70-A73 WeakPolarHBondContact O-CB 3.36Å; L70-A73 PolarHBondContact O-N 2.98Å; A71-A73 VanDerWaalsContact C-N 3.28Å; A71-A73 PolarHBondContact O-N 3.11Å; A73-N76 PolarHBondContact O-N 3.37Å; A73-R77 WeakPolarHBondContact O-CB 3.4Å; A73-R77 PolarHBondContact O-N 3.46Å; A73-M147 HydrophobicContact CB-CE 4.45Å; A73-M147 HydrophobicContact CB-SD 4.23Å; A73-L188 HydrophobicContact CB-CD1 4.22Å; A73-L188 HydrophobicContact CB-CD2 4.47Å; A73-L218 HydrophobicContact CB-CD1 3.67Å; A73-F287 HydrophobicContact CB-CD2 4.24Å
74L98.4Very high97.9Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-66.6-39.2177.5-60.2-173.8000112.3L70 A71 R77 H78 I94 M97 F98 Y106 T145 M147L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.18Å; A71-L74 PolarHBondContact O-N 3.28Å; A71-L74 VanDerWaalsContact O-N 3.12Å; L74-R77 PolarHBondContact O-N 3.11Å; L74-H78 WeakPolarHBondContact O-CB 3.48Å; L74-H78 PolarHBondContact O-CD2 3.29Å; L74-H78 VanDerWaalsContact O-CD2 3.28Å; L74-H78 PolarHBondContact O-N 2.83Å; L74-I94 HydrophobicContact CB-CG1 4.32Å; L74-I94 HydrophobicContact CB-CG2 3.87Å; L74-I94 HydrophobicContact CD1-CG2 4.26Å; L74-M97 HydrophobicContact CD1-SD 3.85Å; L74-F98 HydrophobicContact CD1-CE2 3.75Å; L74-F98 HydrophobicContact CD1-CZ 3.73Å; L74-Y106 HydrophobicContact CD1-CD2 4.12Å; L74-Y106 HydrophobicContact CD1-CE2 3.82Å; L74-T145 HydrophobicContact CD2-CG2 3.35Å; L74-M147 HydrophobicContact CD2-CE 4.25Å
75I98.4Very high97.8Very high3 Ų325.8 Ų25.82%0.01514%0.142CC..Hα-helixtrans-61.1-49.1172.1-67.2-71.3000109.8A71 R77 H78 L79 G80 W83 Y91 I94A71-I75 VanDerWaalsContact O-CG1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.39Å; A71-I75 PolarHBondContact O-N 3.34Å; I75-R77 VanDerWaalsContact C-N 3.26Å; I75-R77 PolarHBondContact O-N 2.81Å; I75-H78 PolarHBondContact O-N 3.48Å; I75-L79 HydrophobicContact CD1-CD1 3.55Å; I75-L79 HydrophobicContact CG2-CB 4.41Å; I75-L79 HydrophobicContact CG2-CD1 4.46Å; I75-L79 CarbonylContact O-C 3.58Å; I75-L79 WeakPolarHBondContact O-CA 3.41Å; I75-L79 WeakPolarHBondContact O-CB 3.42Å; I75-L79 PolarHBondContact O-N 2.68Å; I75-G80 PolarHBondContact O-N 3.21Å; I75-W83 HydrophobicContact CD1-CH2 4.42Å; I75-W83 HydrophobicContact CD1-CZ3 4.13Å; I75-W83 HydrophobicContact CG2-CE3 3.82Å; I75-W83 HydrophobicContact CG2-CZ3 4.3Å; I75-Y91 HydrophobicContact CD1-CD2 4.24Å; I75-I94 HydrophobicContact CD1-CD1 3.76Å; I75-I94 HydrophobicContact CD1-CG2 4.31Å; I75-I94 HydrophobicContact CG1-CD1 4.41Å; I75-I94 HydrophobicContact CG1-CG2 4.47Å
76N97.9Very high97.5Very high15 Ų1528.1 Ų28.18%0.0816%0.161CC..Hα-helixtrans-58.8-39.4177.2-78.27.4000112Q72 A73 G80 L218 F287Q72-N76 PolarHBondContact NE2-OD1 2.87Å; Q72-N76 WeakPolarHBondContact O-CB 3.48Å; Q72-N76 PolarHBondContact O-N 2.78Å; Q72-N76 PolarHBondContact O-OD1 2.84Å; A73-N76 PolarHBondContact O-N 3.37Å; N76-G80 VanDerWaalsContact O-CA 3.24Å; N76-G80 WeakPolarHBondContact O-CA 3.33Å; N76-G80 PolarHBondContact O-N 3.02Å; N76-L218 VanDerWaalsContact ND2-CD2 3.28Å; N76-L218 WeakPolarHBondContact ND2-CD2 3.26Å; N76-F287 HydrophobicContact CB-CD1 3.64Å; N76-F287 HydrophobicContact CB-CE1 3.94Å; N76-F287 HydrophobicContact CB-CG 4.26Å
77R97.4Very high97.2Very high73 Ų7333.5 Ų33.528%0.27519%0.186SC..Hα-helixtrans-67-51.9178.7-173.7-166.6170.792.712.1112.8A73 L74 I75 T145 F287A73-R77 WeakPolarHBondContact O-CB 3.4Å; A73-R77 PolarHBondContact O-N 3.46Å; L74-R77 PolarHBondContact O-N 3.11Å; I75-R77 VanDerWaalsContact C-N 3.26Å; I75-R77 PolarHBondContact O-N 2.81Å; R77-T145 PolarHBondContact NE-O 3.28Å; R77-T145 VanDerWaalsContact NE-O 3.09Å; R77-T145 PolarHBondContact NH1-O 2.98Å; R77-T145 PolarHBondContact NH2-O 2.83Å; R77-F287 HydrophobicContact CB-CE1 4.26Å; R77-F287 HydrophobicContact CB-CE2 4.05Å; R77-F287 HydrophobicContact CB-CZ 3.5Å; R77-F287 VanDerWaalsContact CB-CZ 3.5Å; R77-F287 HydrophobicContact CG-CZ 3.94Å
78H97.8Very high96.9Very high42 Ų4235.3 Ų35.319%0.19420%0.198CC..Hα-helixtrans-97.4-24.5-165.5-66.7-68.8000113.4L74 I75 I94 W144 T145L74-H78 WeakPolarHBondContact O-CB 3.48Å; L74-H78 PolarHBondContact O-CD2 3.29Å; L74-H78 VanDerWaalsContact O-CD2 3.28Å; L74-H78 PolarHBondContact O-N 2.83Å; I75-H78 PolarHBondContact O-N 3.48Å; H78-I94 HydrophobicContact CB-CD1 4.05Å; H78-W144 AromaticContact CD2-CH2 3.54Å; H78-W144 AromaticContact CD2-CZ2 3.95Å; H78-W144 AromaticContact CD2-CZ3 3.94Å; H78-W144 AromaticContact CE1-CE2 3.58Å; H78-W144 AromaticContact CE1-CH2 3.74Å; H78-W144 AromaticContact CE1-CZ2 3.42Å; H78-W144 VanDerWaalsContact CE1-CZ2 3.42Å; H78-W144 WeakPolarHBondContact CE1-CZ2 3.3Å; H78-W144 AromaticContact CG-CH2 3.92Å; H78-W144 AromaticContact CG-CZ2 3.97Å; H78-W144 AromaticContact ND1-CZ2 3.67Å; H78-W144 AromaticContact NE2-CE2 3.93Å; H78-W144 AromaticContact NE2-CE3 3.88Å; H78-W144 AromaticContact NE2-CH2 3.41Å; H78-W144 WeakPolarHBondContact NE2-CH2 3.44Å; H78-W144 AromaticContact NE2-CZ2 3.61Å; H78-W144 AromaticContact NE2-CZ3 3.54Å; H78-T145 PolarHBondContact NE2-OG1 3.31Å
79L97.8Very high96.6Very high40 Ų4040.1 Ų40.121%0.20923%0.232CC..THydrogen-bonded Turntrans-118.2-19.7-178.8-56.8177.6000112.9I75 W83 L90 I94I75-L79 HydrophobicContact CD1-CD1 3.55Å; I75-L79 HydrophobicContact CG2-CB 4.41Å; I75-L79 HydrophobicContact CG2-CD1 4.46Å; I75-L79 CarbonylContact O-C 3.58Å; I75-L79 WeakPolarHBondContact O-CA 3.41Å; I75-L79 WeakPolarHBondContact O-CB 3.42Å; I75-L79 PolarHBondContact O-N 2.68Å; L79-W83 HydrophobicContact CB-CB 3.84Å; L79-W83 HydrophobicContact CB-CD2 4.22Å; L79-W83 HydrophobicContact CB-CG 3.69Å; L79-W83 HydrophobicContact CD1-CD2 3.78Å; L79-W83 HydrophobicContact CD1-CE3 4.28Å; L79-W83 HydrophobicContact CD1-CG 4.1Å; L79-W83 HydrophobicContact CD1-CH2 4.32Å; L79-W83 HydrophobicContact CD1-CZ2 3.84Å; L79-W83 HydrophobicContact CG-CG 4.46Å; L79-L90 HydrophobicContact CD2-CB 3.7Å; L79-L90 HydrophobicContact CD2-CD1 4.12Å; L79-I94 HydrophobicContact CD1-CD1 4.18Å; L79-I94 HydrophobicContact CG-CD1 4.28Å
80G96.9Very high96.4Very high28 Ų2843.5 Ų43.529%0.28925%0.25SC..  trans89.9150.6-179.200000113.5I75 N76 G82 W83I75-G80 PolarHBondContact O-N 3.21Å; N76-G80 VanDerWaalsContact O-CA 3.24Å; N76-G80 WeakPolarHBondContact O-CA 3.33Å; N76-G80 PolarHBondContact O-N 3.02Å; G80-G82 PolarHBondContact O-N 3.39Å; G80-G82 VanDerWaalsContact O-N 3.14Å; G80-W83 VanDerWaalsContact O-CB 3.24Å; G80-W83 WeakPolarHBondContact O-CB 3.43Å; G80-W83 PolarHBondContact O-N 3.02Å
81R94.8Very high96.3Very high105 Ų10543.4 Ų43.440%0.39625%0.249SC..THydrogen-bonded Turntrans-58.3-29.4-178175.559.5-173.5102.1-8.7114.1D32 W83D32-R81 IonicContact OD1-NH1 3.73Å; D32-R81 PolarHBondContact OD1-NH1 3.41Å; D32-R81 VanDerWaalsContact OD1-NH1 3.09Å; D32-R81 IonicContact OD2-NH1 3.04Å; D32-R81 IonicContact OD2-NH2 3.54Å; D32-R81 PolarHBondContact OD2-NH2 3.23Å; R81-W83 VanDerWaalsContact C-N 3.31Å
82G94.7Very high96.1Very high75 Ų7544.4 Ų44.477%0.77325%0.253SS*.THydrogen-bonded Turntrans-83.3-1.8179.200000114.5G80G80-G82 PolarHBondContact O-N 3.39Å; G80-G82 VanDerWaalsContact O-N 3.14Å
83W97.3Very high95.9Very high40 Ų4048 Ų4815%0.15227%0.269CS..  trans-63.2136.7175.1-179.888.1000110.6S35 I75 L79 G80 R81 F85 A86 Y91S35-W83 WeakPolarHBondContact O-CZ3 3.43Å; I75-W83 HydrophobicContact CD1-CH2 4.42Å; I75-W83 HydrophobicContact CD1-CZ3 4.13Å; I75-W83 HydrophobicContact CG2-CE3 3.82Å; I75-W83 HydrophobicContact CG2-CZ3 4.3Å; L79-W83 HydrophobicContact CB-CB 3.84Å; L79-W83 HydrophobicContact CB-CD2 4.22Å; L79-W83 HydrophobicContact CB-CG 3.69Å; L79-W83 HydrophobicContact CD1-CD2 3.78Å; L79-W83 HydrophobicContact CD1-CE3 4.28Å; L79-W83 HydrophobicContact CD1-CG 4.1Å; L79-W83 HydrophobicContact CD1-CH2 4.32Å; L79-W83 HydrophobicContact CD1-CZ2 3.84Å; L79-W83 HydrophobicContact CG-CG 4.46Å; G80-W83 VanDerWaalsContact O-CB 3.24Å; G80-W83 WeakPolarHBondContact O-CB 3.43Å; G80-W83 PolarHBondContact O-N 3.02Å; R81-W83 VanDerWaalsContact C-N 3.31Å; W83-F85 HydrophobicContact CH2-CB 4.42Å; W83-F85 HydrophobicContact CH2-CD2 4.14Å; W83-A86 VanDerWaalsContact CZ2-N 3.32Å; W83-A86 WeakPolarHBondContact CZ2-O 3.46Å; W83-Y91 AromaticContact CH2-CD2 3.62Å; W83-Y91 HydrophobicContact CH2-CD2 3.62Å; W83-Y91 HydrophobicContact CH2-CE2 4.13Å; W83-Y91 HydrophobicContact CH2-CG 4.21Å; W83-Y91 HydrophobicContact CZ2-CD2 4.02Å; W83-Y91 HydrophobicContact CZ2-CG 4.15Å
84L96.9Very high95.9Very high63 Ų6348 Ų4833%0.3327%0.269SS..  trans-116.1152.5169.9-63.5175.5000107.7S35 A86S35-L84 WeakPolarHBondContact OG-CA 3.25Å; L84-A86 PolarHBondContact O-N 2.87Å; L84-A86 VanDerWaalsContact O-N 3.11Å
85F95.9Very high95.8Very high46 Ų4648.1 Ų48.120%0.20227%0.269CS..SBendtrans-45.3119-175.3178.7-104.2000112.1Y34 S35 W83 H87 Y91 D262 H266Y34-F85 HydrophobicContact CD1-CB 4.08Å; Y34-F85 HydrophobicContact CD1-CD1 4.25Å; Y34-F85 HydrophobicContact CD1-CG 4.27Å; Y34-F85 HydrophobicContact CE1-CB 4.24Å; Y34-F85 AromaticContact CE1-CD1 3.57Å; Y34-F85 HydrophobicContact CE1-CD1 3.57Å; Y34-F85 HydrophobicContact CE1-CE1 4.05Å; Y34-F85 AromaticContact CE1-CG 3.94Å; Y34-F85 HydrophobicContact CE1-CG 3.94Å; S35-F85 PolarHBondContact OG-N 2.81Å; W83-F85 HydrophobicContact CH2-CB 4.42Å; W83-F85 HydrophobicContact CH2-CD2 4.14Å; F85-H87 AromaticContact CE1-NE2 3.82Å; F85-H87 AromaticContact CZ-CD2 3.54Å; F85-H87 AromaticContact CZ-NE2 3.36Å; F85-H87 WeakPolarHBondContact CZ-NE2 3.24Å; F85-Y91 HydrophobicContact CE2-CE1 4.03Å; F85-Y91 HydrophobicContact CE2-CE2 4.42Å; F85-Y91 AromaticContact CE2-CZ 3.81Å; F85-D262 WeakPolarHBondContact CE2-OD2 3.5Å; F85-D262 WeakPolarHBondContact CZ-OD2 3.38Å; F85-H266 AromaticContact CD2-CE1 3.45Å; F85-H266 VanDerWaalsContact CD2-CE1 3.45Å; F85-H266 WeakPolarHBondContact CD2-CE1 3.45Å; F85-H266 AromaticContact CD2-NE2 3.41Å; F85-H266 WeakPolarHBondContact CD2-NE2 3.34Å; F85-H266 AromaticContact CE2-CD2 3.67Å; F85-H266 AromaticContact CE2-CE1 3.74Å; F85-H266 AromaticContact CE2-NE2 3.17Å; F85-H266 WeakPolarHBondContact CE2-NE2 3.39Å
86A93.8Very high95.6Very high49 Ų4950.9 Ų50.941%0.40528%0.282SS..  trans-155.4130.7173.400000108.7W83 L84 S88W83-A86 VanDerWaalsContact CZ2-N 3.32Å; W83-A86 WeakPolarHBondContact CZ2-O 3.46Å; L84-A86 PolarHBondContact O-N 2.87Å; L84-A86 VanDerWaalsContact O-N 3.11Å; A86-S88 PolarHBondContact O-N 2.89Å
87H92.6Very high95.6Very high115 Ų11551.2 Ų51.253%0.53228%0.283SS..  trans-57.2127.1175.6-57.1141000110.6F85 Y92 D262F85-H87 AromaticContact CE1-NE2 3.82Å; F85-H87 AromaticContact CZ-CD2 3.54Å; F85-H87 AromaticContact CZ-NE2 3.36Å; F85-H87 WeakPolarHBondContact CZ-NE2 3.24Å; H87-Y92 HydrophobicContact CB-CE2 3.98Å; H87-Y92 AromaticContact CD2-CZ 3.79Å; H87-Y92 PolarHBondContact CD2-OH 3.38Å; H87-D262 IonicContact CD2-OD2 3.67Å; H87-D262 IonicContact NE2-OD1 3.85Å; H87-D262 IonicContact NE2-OD2 3.75Å
88S92.7Very high95.6Very high38 Ų3847.8 Ų47.827%0.26627%0.27SS..  trans-155.5154.617565.40000109.7A86 L90 Y91 Y92A86-S88 PolarHBondContact O-N 2.89Å; S88-L90 PolarHBondContact O-N 3.02Å; S88-Y91 PolarHBondContact O-N 3.36Å; S88-Y91 VanDerWaalsContact O-N 3.15Å; S88-Y91 VanDerWaalsContact OG-CB 3.25Å; S88-Y91 WeakPolarHBondContact OG-CB 3.47Å; S88-Y91 PolarHBondContact OG-N 2.94Å; S88-Y91 VanDerWaalsContact OG-N 3.17Å; S88-Y92 WeakPolarHBondContact O-CD2 3.29Å; S88-Y92 PolarHBondContact O-N 3.26Å
89S92.4Very high95.5Very high101 Ų10146 Ų4671%0.70626%0.262SS*.Hα-helixtrans-58.5-37.1177.554.10000112.5K93S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 PolarHBondContact O-N 3.25Å
90L94.7Very high95.5Very high71 Ų7144 Ų4437%0.37225%0.252SS..Hα-helixtrans-65.6-44175.2-74.6174.6000112.1L79 S88 K93 I94 W144L79-L90 HydrophobicContact CD2-CB 3.7Å; L79-L90 HydrophobicContact CD2-CD1 4.12Å; S88-L90 PolarHBondContact O-N 3.02Å; L90-K93 PolarHBondContact O-N 3.3Å; L90-I94 VanDerWaalsContact O-CG1 3.3Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.35Å; L90-W144 HydrophobicContact CD2-CZ2 3.99Å
91Y96.3Very high95.4Very high0 Ų045 Ų450%025%0.248CC..Hα-helixtrans-59.9-47.6175.6160.6-103.1000111.8T37 I75 W83 F85 S88 K93 I94 L95 D262 H266T37-Y91 HydrophobicContact CG2-CE2 4.34Å; I75-Y91 HydrophobicContact CD1-CD2 4.24Å; W83-Y91 AromaticContact CH2-CD2 3.62Å; W83-Y91 HydrophobicContact CH2-CD2 3.62Å; W83-Y91 HydrophobicContact CH2-CE2 4.13Å; W83-Y91 HydrophobicContact CH2-CG 4.21Å; W83-Y91 HydrophobicContact CZ2-CD2 4.02Å; W83-Y91 HydrophobicContact CZ2-CG 4.15Å; F85-Y91 HydrophobicContact CE2-CE1 4.03Å; F85-Y91 HydrophobicContact CE2-CE2 4.42Å; F85-Y91 AromaticContact CE2-CZ 3.81Å; S88-Y91 PolarHBondContact O-N 3.36Å; S88-Y91 VanDerWaalsContact O-N 3.15Å; S88-Y91 VanDerWaalsContact OG-CB 3.25Å; S88-Y91 WeakPolarHBondContact OG-CB 3.47Å; S88-Y91 PolarHBondContact OG-N 2.94Å; S88-Y91 VanDerWaalsContact OG-N 3.17Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.23Å; Y91-I94 WeakPolarHBondContact O-CB 3.32Å; Y91-I94 PolarHBondContact O-N 3.1Å; Y91-L95 PolarHBondContact O-N 3.27Å; Y91-D262 HydrophobicContact CE1-CB 4.48Å; Y91-D262 WeakPolarHBondContact CE1-OD2 3.27Å; Y91-D262 WeakPolarHBondContact OH-CB 3.27Å; Y91-D262 PolarHBondContact OH-OD2 3.1Å; Y91-H266 AromaticContact CE2-NE2 3.95Å; Y91-H266 AromaticContact CZ-NE2 3.64Å; Y91-H266 PolarHBondContact OH-NE2 2.96Å
92Y94.7Very high95.4Very high21 Ų2145.6 Ų45.68%0.08225%0.254CS..Hα-helixtrans-65.3-38.2178.4-69.1-58.4000112.6H87 S88 I94 L95 Q96 Y260H87-Y92 HydrophobicContact CB-CE2 3.98Å; H87-Y92 AromaticContact CD2-CZ 3.79Å; H87-Y92 PolarHBondContact CD2-OH 3.38Å; S88-Y92 WeakPolarHBondContact O-CD2 3.29Å; S88-Y92 PolarHBondContact O-N 3.26Å; Y92-I94 VanDerWaalsContact C-N 3.31Å; Y92-I94 PolarHBondContact O-N 3.48Å; Y92-L95 PolarHBondContact O-N 2.97Å; Y92-Q96 WeakPolarHBondContact O-CB 3.48Å; Y92-Q96 VanDerWaalsContact O-CG 3.3Å; Y92-Q96 WeakPolarHBondContact O-CG 3.17Å; Y92-Q96 PolarHBondContact O-N 3.18Å; Y92-Y260 AromaticContact CD1-CD1 3.95Å; Y92-Y260 HydrophobicContact CD1-CD1 3.95Å; Y92-Y260 AromaticContact CD1-CD2 3.53Å; Y92-Y260 HydrophobicContact CD1-CD2 3.53Å; Y92-Y260 HydrophobicContact CD1-CE1 4.48Å; Y92-Y260 HydrophobicContact CD1-CE2 4.08Å; Y92-Y260 AromaticContact CD1-CG 3.43Å; Y92-Y260 HydrophobicContact CD1-CG 3.43Å; Y92-Y260 VanDerWaalsContact CD1-CG 3.43Å; Y92-Y260 AromaticContact CD2-CD2 3.36Å; Y92-Y260 HydrophobicContact CD2-CD2 3.36Å; Y92-Y260 AromaticContact CD2-CE2 3.35Å; Y92-Y260 HydrophobicContact CD2-CE2 3.35Å; Y92-Y260 HydrophobicContact CD2-CG 4.17Å; Y92-Y260 HydrophobicContact CE1-CD1 4.37Å; Y92-Y260 AromaticContact CE1-CD2 3.5Å; Y92-Y260 HydrophobicContact CE1-CD2 3.5Å; Y92-Y260 VanDerWaalsContact CE1-CD2 3.5Å; Y92-Y260 HydrophobicContact CE1-CE2 4.41Å; Y92-Y260 AromaticContact CE1-CG 3.45Å; Y92-Y260 HydrophobicContact CE1-CG 3.45Å; Y92-Y260 VanDerWaalsContact CE1-CG 3.45Å; Y92-Y260 AromaticContact CE2-CD2 3.3Å; Y92-Y260 HydrophobicContact CE2-CD2 3.3Å; Y92-Y260 AromaticContact CE2-CE2 3.72Å; Y92-Y260 HydrophobicContact CE2-CE2 3.72Å; Y92-Y260 HydrophobicContact CE2-CG 4.16Å; Y92-Y260 HydrophobicContact CG-CD1 4.22Å; Y92-Y260 AromaticContact CG-CD2 3.46Å; Y92-Y260 HydrophobicContact CG-CD2 3.46Å; Y92-Y260 VanDerWaalsContact CG-CD2 3.46Å; Y92-Y260 HydrophobicContact CG-CE1 4.32Å; Y92-Y260 AromaticContact CG-CE2 3.54Å; Y92-Y260 HydrophobicContact CG-CE2 3.54Å; Y92-Y260 AromaticContact CG-CG 3.81Å; Y92-Y260 HydrophobicContact CG-CG 3.81Å; Y92-Y260 AromaticContact CG-CZ 3.99Å; Y92-Y260 AromaticContact CZ-CD2 3.35Å; Y92-Y260 AromaticContact CZ-CG 3.8Å
93K94.7Very high95.3Very high84 Ų8446.5 Ų46.537%0.36524%0.241SC..Hα-helixtrans-58.3-44173.2-174.7172.6-178.5-176.50111.3S89 L90 Y91 M97 W144S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 PolarHBondContact O-N 3.25Å; L90-K93 PolarHBondContact O-N 3.3Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.23Å; K93-M97 WeakPolarHBondContact O-CG 3.41Å; K93-M97 PolarHBondContact O-N 3.32Å; K93-W144 HydrophobicContact CB-CH2 4.29Å; K93-W144 HydrophobicContact CD-CD2 4.01Å; K93-W144 HydrophobicContact CD-CE3 4.18Å; K93-W144 HydrophobicContact CD-CH2 3.8Å; K93-W144 HydrophobicContact CD-CZ2 3.63Å; K93-W144 HydrophobicContact CD-CZ3 4.08Å; K93-W144 HydrophobicContact CG-CE3 4.33Å; K93-W144 HydrophobicContact CG-CH2 3.87Å; K93-W144 HydrophobicContact CG-CZ2 4.24Å; K93-W144 HydrophobicContact CG-CZ3 3.93Å; K93-W144 VanDerWaalsContact NZ-CD2 3.3Å; K93-W144 VanDerWaalsContact NZ-CE2 3.3Å; K93-W144 VanDerWaalsContact NZ-NE1 3.17Å
94I97Very high95.2Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-60.8-50.2175.1-66163.4000110.1L74 I75 H78 L79 L90 Y91 Y92 Q96 M97 F98 W144L74-I94 HydrophobicContact CB-CG1 4.32Å; L74-I94 HydrophobicContact CB-CG2 3.87Å; L74-I94 HydrophobicContact CD1-CG2 4.26Å; I75-I94 HydrophobicContact CD1-CD1 3.76Å; I75-I94 HydrophobicContact CD1-CG2 4.31Å; I75-I94 HydrophobicContact CG1-CD1 4.41Å; I75-I94 HydrophobicContact CG1-CG2 4.47Å; H78-I94 HydrophobicContact CB-CD1 4.05Å; L79-I94 HydrophobicContact CD1-CD1 4.18Å; L79-I94 HydrophobicContact CG-CD1 4.28Å; L90-I94 VanDerWaalsContact O-CG1 3.3Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.35Å; Y91-I94 WeakPolarHBondContact O-CB 3.32Å; Y91-I94 PolarHBondContact O-N 3.1Å; Y92-I94 VanDerWaalsContact C-N 3.31Å; Y92-I94 PolarHBondContact O-N 3.48Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.2Å; I94-M97 WeakPolarHBondContact O-CB 3.42Å; I94-M97 PolarHBondContact O-N 3.07Å; I94-M97 VanDerWaalsContact O-N 3.09Å; I94-F98 HydrophobicContact CG2-CE2 4.08Å; I94-F98 WeakPolarHBondContact O-CD2 3.37Å; I94-F98 WeakPolarHBondContact O-CE2 3.41Å; I94-W144 HydrophobicContact CG1-CH2 3.87Å; I94-W144 HydrophobicContact CG1-CZ3 4.17Å
95L96.7Very high95.2Very high1 Ų142.6 Ų42.61%0.00523%0.225CC..Hα-helixtrans-60.8-40.2-177.1-164.469.1000112.4T37 F39 Y91 Y92 M97 F98 Q99 L253 D262 Y265T37-L95 HydrophobicContact CG2-CD1 4.16Å; F39-L95 HydrophobicContact CE1-CD1 4.04Å; F39-L95 HydrophobicContact CZ-CD1 4.2Å; Y91-L95 PolarHBondContact O-N 3.27Å; Y92-L95 PolarHBondContact O-N 2.97Å; L95-M97 PolarHBondContact O-N 3.18Å; L95-F98 PolarHBondContact O-N 3.45Å; L95-Q99 PolarHBondContact O-N 3.23Å; L95-L253 HydrophobicContact CB-CD1 4.25Å; L95-L253 HydrophobicContact CD2-CD1 3.68Å; L95-L253 HydrophobicContact CD2-CD2 4.08Å; L95-L253 HydrophobicContact CG-CD1 3.57Å; L95-D262 HydrophobicContact CD2-CB 3.79Å; L95-Y265 HydrophobicContact CD1-CD1 3.83Å; L95-Y265 HydrophobicContact CD1-CE1 4.41Å; L95-Y265 HydrophobicContact CD1-CG 3.88Å; L95-Y265 HydrophobicContact CD2-CD2 4.08Å; L95-Y265 HydrophobicContact CD2-CE2 4.49Å; L95-Y265 HydrophobicContact CD2-CG 4.22Å; L95-Y265 HydrophobicContact CG-CG 4.47Å
96Q95.6Very high95.3Very high61 Ų6140.5 Ų40.529%0.28522%0.216SC..Hα-helixtrans-59.4-28.6176.6-77.7177.3-28.600113Y92 I94 F98 Q99 A104 L253Y92-Q96 WeakPolarHBondContact O-CB 3.48Å; Y92-Q96 VanDerWaalsContact O-CG 3.3Å; Y92-Q96 WeakPolarHBondContact O-CG 3.17Å; Y92-Q96 PolarHBondContact O-N 3.18Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.2Å; Q96-F98 PolarHBondContact O-N 2.85Å; Q96-Q99 PolarHBondContact O-N 2.92Å; Q96-A104 VanDerWaalsContact O-CB 3.28Å; Q96-A104 WeakPolarHBondContact O-CB 2.99Å; Q96-L253 HydrophobicContact CG-CB 3.95Å; Q96-L253 PolarHBondContact NE2-O 2.88Å
97M97.1Very high95.5Very high23 Ų2338.1 Ų38.111%0.11320%0.197CC..THydrogen-bonded Turntrans-66.3-17.8176.5-56.4179.782.600113.3L74 K93 I94 L95 C105 Y106 S107 D142 W144L74-M97 HydrophobicContact CD1-SD 3.85Å; K93-M97 WeakPolarHBondContact O-CG 3.41Å; K93-M97 PolarHBondContact O-N 3.32Å; I94-M97 WeakPolarHBondContact O-CB 3.42Å; I94-M97 PolarHBondContact O-N 3.07Å; I94-M97 VanDerWaalsContact O-N 3.09Å; L95-M97 PolarHBondContact O-N 3.18Å; M97-C105 HydrophobicContact CE-CB 4.47Å; M97-Y106 HydrophobicContact CB-CD2 3.94Å; M97-Y106 HydrophobicContact CE-CD2 4.1Å; M97-Y106 HydrophobicContact CE-CE2 3.58Å; M97-Y106 CarbonylContact O-C 3.52Å; M97-Y106 WeakPolarHBondContact O-CA 3.33Å; M97-Y106 WeakPolarHBondContact O-CB 3.14Å; M97-Y106 PolarHBondContact O-N 2.84Å; M97-Y106 HydrophobicContact SD-CE2 4.35Å; M97-S107 PolarHBondContact O-N 3.41Å; M97-D142 HydrophobicContact CE-CB 4.38Å; M97-D142 VanDerWaalsContact CE-CG 3.41Å; M97-D142 WeakPolarHBondContact CE-OD1 3.47Å; M97-D142 VanDerWaalsContact CE-OD2 3.24Å; M97-D142 WeakPolarHBondContact CE-OD2 3.19Å; M97-W144 HydrophobicContact CE-CE3 4.14Å; M97-W144 HydrophobicContact SD-CE3 3.65Å; M97-W144 HydrophobicContact SD-CZ3 3.5Å; M97-W144 WeakPolarHBondContact SD-CZ3 3.37Å
98F98Very high95.8Very high0 Ų032.7 Ų32.70%017%0.171CC..THydrogen-bonded Turntrans-108.6-0.7-179.3-60.3-86.1000113.7F39 Q67 L70 A71 L74 I94 L95 Q96 Y106F39-F98 HydrophobicContact CD1-CB 4.25Å; F39-F98 HydrophobicContact CE1-CB 3.45Å; F39-F98 VanDerWaalsContact CE1-CB 3.45Å; F39-F98 HydrophobicContact CE1-CD2 4.48Å; F39-F98 HydrophobicContact CE1-CG 4Å; F39-F98 HydrophobicContact CE2-CB 4.37Å; F39-F98 HydrophobicContact CE2-CD1 4.2Å; F39-F98 HydrophobicContact CE2-CD2 4.4Å; F39-F98 HydrophobicContact CE2-CG 4.06Å; F39-F98 HydrophobicContact CZ-CB 3.53Å; F39-F98 HydrophobicContact CZ-CD1 4.1Å; F39-F98 AromaticContact CZ-CD2 3.75Å; F39-F98 HydrophobicContact CZ-CD2 3.75Å; F39-F98 AromaticContact CZ-CG 3.51Å; F39-F98 HydrophobicContact CZ-CG 3.51Å; Q67-F98 HydrophobicContact CB-CD1 3.78Å; Q67-F98 HydrophobicContact CB-CE1 4.2Å; Q67-F98 HydrophobicContact CG-CD1 3.91Å; Q67-F98 PolarHBondContact NE2-O 3.17Å; Q67-F98 WeakPolarHBondContact O-CE1 3.33Å; L70-F98 HydrophobicContact CB-CE1 4.08Å; L70-F98 HydrophobicContact CB-CZ 4.23Å; L70-F98 HydrophobicContact CD2-CE1 4.06Å; L70-F98 HydrophobicContact CD2-CZ 4.34Å; L70-F98 HydrophobicContact CG-CE1 4.06Å; L70-F98 HydrophobicContact CG-CZ 3.97Å; A71-F98 VanDerWaalsContact CA-CZ 3.44Å; A71-F98 HydrophobicContact CB-CD2 4.14Å; A71-F98 HydrophobicContact CB-CE1 4.16Å; A71-F98 HydrophobicContact CB-CE2 3.52Å; A71-F98 HydrophobicContact CB-CZ 3.54Å; L74-F98 HydrophobicContact CD1-CE2 3.75Å; L74-F98 HydrophobicContact CD1-CZ 3.73Å; I94-F98 HydrophobicContact CG2-CE2 4.08Å; I94-F98 WeakPolarHBondContact O-CD2 3.37Å; I94-F98 WeakPolarHBondContact O-CE2 3.41Å; L95-F98 PolarHBondContact O-N 3.45Å; Q96-F98 PolarHBondContact O-N 2.85Å; F98-Y106 VanDerWaalsContact CE1-CB 3.48Å; F98-Y106 HydrophobicContact CE1-CD2 4.03Å; F98-Y106 HydrophobicContact CE1-CG 4.04Å; F98-Y106 HydrophobicContact CE2-CD2 4.42Å; F98-Y106 AromaticContact CZ-CD2 3.87Å; F98-Y106 HydrophobicContact CZ-CD2 3.87Å; F98-Y106 HydrophobicContact CZ-CG 4.35Å
99Q95.9Very high96Very high4 Ų431.3 Ų31.32%0.01916%0.161CC..SBendtrans-56.3144.2178.6-176.7172.5-26.400110.5L95 Q96 K101 A104 S107 D252 L253L95-Q99 PolarHBondContact O-N 3.23Å; Q96-Q99 PolarHBondContact O-N 2.92Å; Q99-K101 HydrophobicContact CG-CG 4.28Å; Q99-K101 PolarHBondContact O-N 2.88Å; Q99-A104 HydrophobicContact CB-CB 4.41Å; Q99-A104 WeakPolarHBondContact O-CB 3.44Å; Q99-S107 WeakPolarHBondContact O-CB 3.45Å; Q99-D252 PolarHBondContact NE2-OD1 2.9Å; Q99-L253 HydrophobicContact CB-CD1 4.26Å; Q99-L253 VanDerWaalsContact OE1-CA 3.3Å
100D97.4Very high96.3Very high0 Ų026.7 Ų26.70%013%0.128CC..SBendtrans-74.557.3-179.8-49.5-83.3000112.7R42 F45 P46 R64 I108 H109 V250R42-D100 WeakPolarHBondContact CG-OD2 3.08Å; F45-D100 HydrophobicContact CB-CB 3.63Å; F45-D100 WeakPolarHBondContact CB-O 3.39Å; F45-D100 HydrophobicContact CD1-CB 3.92Å; F45-D100 HydrophobicContact CG-CB 4.03Å; P46-D100 WeakPolarHBondContact CD-O 3.44Å; R64-D100 IonicContact CZ-OD1 3.19Å; R64-D100 IonicContact NH1-OD1 2.65Å; R64-D100 PolarHBondContact NH1-OD1 2.85Å; R64-D100 IonicContact NH2-OD1 2.73Å; R64-D100 PolarHBondContact NH2-OD1 3.03Å; D100-I108 HydrophobicContact CB-CG2 4.11Å; D100-I108 WeakPolarHBondContact OD1-CG2 3.29Å; D100-H109 PolarHBondContact O-CE1 3.44Å; D100-V250 HydrophobicContact CB-CG2 3.93Å
101K94.6Very high96.5Very high48 Ų4823.5 Ų23.521%0.20911%0.111CC..SBendtrans-133.1143.6172.6-69.6-177.7174169.90109.1Q99 N103 A104 S107 D252 T254Q99-K101 HydrophobicContact CG-CG 4.28Å; Q99-K101 PolarHBondContact O-N 2.88Å; K101-N103 WeakPolarHBondContact CB-OD1 3.33Å; K101-N103 PolarHBondContact O-N 3.34Å; K101-N103 VanDerWaalsContact O-N 3.08Å; K101-A104 WeakPolarHBondContact O-CB 3.08Å; K101-A104 PolarHBondContact O-N 3.41Å; K101-S107 WeakPolarHBondContact O-CB 3.5Å; K101-S107 PolarHBondContact O-OG 2.66Å; K101-D252 IonicContact NZ-OD1 2.7Å; K101-D252 PolarHBondContact NZ-OD1 3.45Å; K101-D252 IonicContact NZ-OD2 2.8Å; K101-D252 PolarHBondContact NZ-OD2 3.01Å; K101-T254 PolarHBondContact NZ-OG1 2.96Å
102K94.5Very high96.5Very high117 Ų11723.5 Ų23.551%0.50911%0.112SC..THydrogen-bonded Turntrans-57.6-25.7-178.167.3174.1-171163.50115.1A104 H109 Q110K102-A104 VanDerWaalsContact C-N 3.28Å; K102-A104 PolarHBondContact O-N 3.18Å; K102-H109 HydrophobicContact CB-CB 4.34Å; K102-Q110 PolarHBondContact O-NE2 3.42Å
103N92.9Very high96.6Very high94 Ų9424.6 Ų24.650%0.50312%0.117SC..THydrogen-bonded Turntrans-82.9-0.817965.6-30.1000113.7K101 V342K101-N103 WeakPolarHBondContact CB-OD1 3.33Å; K101-N103 PolarHBondContact O-N 3.34Å; K101-N103 VanDerWaalsContact O-N 3.08Å; N103-V342 HydrophobicContact CB-CG1 4.27Å
104A95.5Very high96.7Very high9 Ų920.6 Ų20.67%0.07410%0.099CC..SBendtrans-95.3122.9172.300000109.8Q96 Q99 K101 K102 Y106 S107 Q110Q96-A104 VanDerWaalsContact O-CB 3.28Å; Q96-A104 WeakPolarHBondContact O-CB 2.99Å; Q99-A104 HydrophobicContact CB-CB 4.41Å; Q99-A104 WeakPolarHBondContact O-CB 3.44Å; K101-A104 WeakPolarHBondContact O-CB 3.08Å; K101-A104 PolarHBondContact O-N 3.41Å; K102-A104 VanDerWaalsContact C-N 3.28Å; K102-A104 PolarHBondContact O-N 3.18Å; A104-Y106 PolarHBondContact O-N 3.35Å; A104-Y106 VanDerWaalsContact O-N 3.14Å; A104-S107 WeakPolarHBondContact O-CB 3.34Å; A104-S107 PolarHBondContact O-N 3Å; A104-S107 PolarHBondContact O-OG 2.8Å; A104-Q110 WeakPolarHBondContact O-CG 3.35Å
105C96.1Very high96.7Very high13 Ų1320.6 Ų20.69%0.08810%0.099CC..THydrogen-bonded Turntrans-53.9-35-170.6-173.70000114.3M97 Q110 L343M97-C105 HydrophobicContact CE-CB 4.47Å; C105-Q110 WeakPolarHBondContact O-CB 3.28Å; C105-L343 HydrophobicContact CB-CD2 4.49Å
106Y98.2Very high96.6Very high1 Ų124.4 Ų24.40%0.00412%0.117CC..THydrogen-bonded Turntrans-116.425.3-178.2-51.4-55.6000112Q67 L70 L74 M97 F98 A104 I111 L138 D142Q67-Y106 PolarHBondContact NE2-O 3.49Å; L70-Y106 HydrophobicContact CD2-CD1 3.35Å; L70-Y106 HydrophobicContact CD2-CD2 3.83Å; L70-Y106 HydrophobicContact CD2-CE1 3.56Å; L70-Y106 HydrophobicContact CD2-CE2 4.03Å; L70-Y106 HydrophobicContact CD2-CG 3.48Å; L70-Y106 VanDerWaalsContact CD2-CG 3.48Å; L70-Y106 HydrophobicContact CG-CD2 4.46Å; L74-Y106 HydrophobicContact CD1-CD2 4.12Å; L74-Y106 HydrophobicContact CD1-CE2 3.82Å; M97-Y106 HydrophobicContact CB-CD2 3.94Å; M97-Y106 HydrophobicContact CE-CD2 4.1Å; M97-Y106 HydrophobicContact CE-CE2 3.58Å; M97-Y106 CarbonylContact O-C 3.52Å; M97-Y106 WeakPolarHBondContact O-CA 3.33Å; M97-Y106 WeakPolarHBondContact O-CB 3.14Å; M97-Y106 PolarHBondContact O-N 2.84Å; M97-Y106 HydrophobicContact SD-CE2 4.35Å; F98-Y106 VanDerWaalsContact CE1-CB 3.48Å; F98-Y106 HydrophobicContact CE1-CD2 4.03Å; F98-Y106 HydrophobicContact CE1-CG 4.04Å; F98-Y106 HydrophobicContact CE2-CD2 4.42Å; F98-Y106 AromaticContact CZ-CD2 3.87Å; F98-Y106 HydrophobicContact CZ-CD2 3.87Å; F98-Y106 HydrophobicContact CZ-CG 4.35Å; A104-Y106 PolarHBondContact O-N 3.35Å; A104-Y106 VanDerWaalsContact O-N 3.14Å; Y106-I111 WeakPolarHBondContact O-CD1 3.43Å; Y106-L138 HydrophobicContact CD1-CB 3.99Å; Y106-L138 HydrophobicContact CD1-CD1 4.34Å; Y106-L138 HydrophobicContact CE1-CB 3.92Å; Y106-D142 HydrophobicContact CE2-CB 4.46Å; Y106-D142 WeakPolarHBondContact CE2-OD2 3.27Å; Y106-D142 WeakPolarHBondContact OH-CB 3.43Å; Y106-D142 VanDerWaalsContact OH-CG 3.31Å; Y106-D142 PolarHBondContact OH-OD2 3.15Å
107S98.2Very high96.6Very high0 Ų024.1 Ų24.10%012%0.12CC..SBendtrans-62.1159.9172.461.20000112.1M97 Q99 K101 A104 H109 Q110 I111M97-S107 PolarHBondContact O-N 3.41Å; Q99-S107 WeakPolarHBondContact O-CB 3.45Å; K101-S107 WeakPolarHBondContact O-CB 3.5Å; K101-S107 PolarHBondContact O-OG 2.66Å; A104-S107 WeakPolarHBondContact O-CB 3.34Å; A104-S107 PolarHBondContact O-N 3Å; A104-S107 PolarHBondContact O-OG 2.8Å; S107-H109 PolarHBondContact O-N 3.2Å; S107-Q110 PolarHBondContact O-N 3.24Å; S107-Q110 WeakPolarHBondContact OG-CG 3.42Å; S107-Q110 PolarHBondContact OG-N 3.29Å; S107-Q110 VanDerWaalsContact OG-N 3.13Å; S107-I111 VanDerWaalsContact O-CG1 3.3Å; S107-I111 WeakPolarHBondContact O-CG1 3.18Å; S107-I111 PolarHBondContact O-N 2.86Å
108I98.3Very high96.5Very high0 Ų025.9 Ų25.90%013%0.128CC..Hα-helixtrans-57.4-31.7171.1-168.464.2000111.8F45 D56 W59 L63 D100 A112F45-I108 HydrophobicContact CD1-CG2 4.36Å; F45-I108 HydrophobicContact CE1-CG2 4.09Å; F45-I108 HydrophobicContact CE2-CG2 4.49Å; F45-I108 HydrophobicContact CZ-CG2 4.15Å; D56-I108 HydrophobicContact CB-CD1 4.14Å; D56-I108 HydrophobicContact CB-CG1 3.9Å; W59-I108 HydrophobicContact CH2-CG1 4.47Å; L63-I108 HydrophobicContact CB-CD1 3.66Å; L63-I108 HydrophobicContact CD2-CD1 3.56Å; L63-I108 HydrophobicContact CG-CD1 4.26Å; D100-I108 HydrophobicContact CB-CG2 4.11Å; D100-I108 WeakPolarHBondContact OD1-CG2 3.29Å; I108-A112 WeakPolarHBondContact O-CB 3.4Å; I108-A112 PolarHBondContact O-N 3.47Å
109H97.9Very high96.4Very high10 Ų1028.9 Ų28.95%0.04616%0.159CC..Hα-helixtrans-61.2-54.8175.4-56.966.5000111.3F45 P46 D100 K102 S107 A112 K113F45-H109 AromaticContact CD2-CE1 3.79Å; F45-H109 AromaticContact CD2-NE2 3.87Å; P46-H109 PolarHBondContact O-NE2 3.12Å; D100-H109 PolarHBondContact O-CE1 3.44Å; K102-H109 HydrophobicContact CB-CB 4.34Å; S107-H109 PolarHBondContact O-N 3.2Å; H109-A112 PolarHBondContact O-N 3.24Å; H109-K113 VanDerWaalsContact O-CB 3.26Å; H109-K113 WeakPolarHBondContact O-CB 3.29Å; H109-K113 PolarHBondContact O-N 3.02Å
110Q97.6Very high96.4Very high4 Ų431.7 Ų31.72%0.01917%0.171CC..Hα-helixtrans-67-39.3-177.5-69.2-62.3-9.700111.6K102 A104 C105 S107 M114 L138 D339 F340 L343K102-Q110 PolarHBondContact O-NE2 3.42Å; A104-Q110 WeakPolarHBondContact O-CG 3.35Å; C105-Q110 WeakPolarHBondContact O-CB 3.28Å; S107-Q110 PolarHBondContact O-N 3.24Å; S107-Q110 WeakPolarHBondContact OG-CG 3.42Å; S107-Q110 PolarHBondContact OG-N 3.29Å; S107-Q110 VanDerWaalsContact OG-N 3.13Å; Q110-M114 WeakPolarHBondContact O-CB 3.17Å; Q110-M114 PolarHBondContact O-N 2.9Å; Q110-L138 HydrophobicContact CB-CD2 3.95Å; Q110-D339 PolarHBondContact NE2-O 3.19Å; Q110-F340 VanDerWaalsContact OE1-CD1 3.27Å; Q110-L343 HydrophobicContact CG-CD1 4.3Å; Q110-L343 HydrophobicContact CG-CD2 4.21Å
111I98.3Very high96.3Very high3 Ų334.1 Ų34.12%0.01519%0.191CC..Hα-helixtrans-64.8-46.4176-64.2169.4000111.4L63 Q67 Y106 S107 G115 F126 I131 V134 L138L63-I111 HydrophobicContact CB-CG2 3.89Å; L63-I111 HydrophobicContact CD2-CB 4.33Å; L63-I111 HydrophobicContact CD2-CG2 3.65Å; L63-I111 HydrophobicContact CG-CG2 3.52Å; Q67-I111 HydrophobicContact CG-CD1 3.39Å; Y106-I111 WeakPolarHBondContact O-CD1 3.43Å; S107-I111 VanDerWaalsContact O-CG1 3.3Å; S107-I111 WeakPolarHBondContact O-CG1 3.18Å; S107-I111 PolarHBondContact O-N 2.86Å; I111-G115 PolarHBondContact O-N 2.85Å; I111-F126 HydrophobicContact CG2-CE2 4.14Å; I111-I131 HydrophobicContact CG2-CD1 3.56Å; I111-V134 HydrophobicContact CB-CG1 4.32Å; I111-V134 HydrophobicContact CG2-CG1 3.84Å; I111-L138 HydrophobicContact CB-CD1 4.35Å; I111-L138 HydrophobicContact CG1-CD1 3.57Å
112A97.9Very high96.4Very high1 Ų134 Ų341%0.00819%0.192CC..Hα-helixtrans-65.1-43.2179.600000111.5I48 W59 L63 I108 H109 G115 I122I48-A112 HydrophobicContact CD1-CB 4.27Å; I48-A112 HydrophobicContact CG2-CB 4.32Å; W59-A112 HydrophobicContact CH2-CB 4.17Å; W59-A112 HydrophobicContact CZ3-CB 4.19Å; L63-A112 HydrophobicContact CD2-CB 4.25Å; I108-A112 WeakPolarHBondContact O-CB 3.4Å; I108-A112 PolarHBondContact O-N 3.47Å; H109-A112 PolarHBondContact O-N 3.24Å; A112-G115 PolarHBondContact O-N 2.92Å; A112-I122 HydrophobicContact CB-CG1 4.31Å; A112-I122 HydrophobicContact CB-CG2 4.44Å
113K96.4Very high96.4Very high43 Ų4329.9 Ų29.919%0.18718%0.182CC..Hα-helixtrans-64.6-47.3178.2-176.762.6-178.5163.50111.9H109 G115 E116 D337 F340H109-K113 VanDerWaalsContact O-CB 3.26Å; H109-K113 WeakPolarHBondContact O-CB 3.29Å; H109-K113 PolarHBondContact O-N 3.02Å; K113-G115 PolarHBondContact O-N 3.1Å; K113-E116 WeakPolarHBondContact CD-OE2 3.11Å; K113-E116 IonicContact NZ-OE2 2.89Å; K113-E116 PolarHBondContact NZ-OE2 3.05Å; K113-E116 WeakPolarHBondContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CG 3.5Å; K113-E116 PolarHBondContact O-N 3.43Å; K113-D337 WeakPolarHBondContact CE-OD2 3.37Å; K113-D337 IonicContact NZ-OD2 3.28Å; K113-D337 PolarHBondContact NZ-OD2 3.18Å; K113-F340 HydrophobicContact CB-CZ 4.43Å; K113-F340 HydrophobicContact CG-CE2 4.08Å; K113-F340 HydrophobicContact CG-CZ 3.93Å
114M95.9Very high96.5Very high0 Ų029.8 Ų29.80%018%0.179CC..Hα-helixtrans-61.2-30.9175.6-175.961.673.300112.2Q110 E116 T117 V134 K137 L138 L334 F340Q110-M114 WeakPolarHBondContact O-CB 3.17Å; Q110-M114 PolarHBondContact O-N 2.9Å; M114-E116 PolarHBondContact O-N 3.09Å; M114-T117 WeakPolarHBondContact O-CB 3.47Å; M114-T117 WeakPolarHBondContact O-CG2 3.48Å; M114-T117 PolarHBondContact O-N 2.81Å; M114-T117 VanDerWaalsContact O-N 3.1Å; M114-T117 PolarHBondContact O-OG1 2.94Å; M114-T117 HydrophobicContact SD-CG2 4.11Å; M114-V134 HydrophobicContact CB-CG1 3.86Å; M114-V134 HydrophobicContact CG-CB 4.28Å; M114-V134 HydrophobicContact CG-CG1 3.82Å; M114-V134 HydrophobicContact CG-CG2 4.26Å; M114-K137 HydrophobicContact CE-CB 3.83Å; M114-K137 HydrophobicContact CG-CB 3.95Å; M114-K137 HydrophobicContact CG-CD 4.3Å; M114-K137 HydrophobicContact SD-CB 3.51Å; M114-K137 VanDerWaalsContact SD-CB 3.51Å; M114-K137 HydrophobicContact SD-CD 3.61Å; M114-K137 HydrophobicContact SD-CG 4.2Å; M114-L138 HydrophobicContact CB-CD2 4.03Å; M114-L138 HydrophobicContact CB-CG 4.18Å; M114-L138 HydrophobicContact CE-CD2 3.77Å; M114-L138 HydrophobicContact CE-CG 4.28Å; M114-L138 HydrophobicContact CG-CD2 4.28Å; M114-L138 HydrophobicContact CG-CG 4.13Å; M114-L334 HydrophobicContact CE-CD1 3.45Å; M114-L334 VanDerWaalsContact CE-CD1 3.45Å; M114-L334 HydrophobicContact SD-CD1 3.55Å; M114-L334 VanDerWaalsContact SD-CD1 3.55Å; M114-F340 HydrophobicContact CB-CZ 4.35Å; M114-F340 HydrophobicContact CE-CD1 4.25Å; M114-F340 HydrophobicContact CE-CE1 3.55Å; M114-F340 HydrophobicContact CE-CZ 3.74Å
115G97Very high96.5Very high0 Ų031.8 Ų31.80%019%0.185CC..Hα-helixtrans-58.5-27.7173.400000114.6I111 A112 K113 T117 E118 G119 K120I111-G115 PolarHBondContact O-N 2.85Å; A112-G115 PolarHBondContact O-N 2.92Å; K113-G115 PolarHBondContact O-N 3.1Å; G115-T117 PolarHBondContact O-N 2.87Å; G115-E118 CarbonylContact O-C 3.54Å; G115-E118 WeakPolarHBondContact O-CA 3.44Å; G115-E118 WeakPolarHBondContact O-CB 3.23Å; G115-E118 PolarHBondContact O-N 3.42Å; G115-G119 PolarHBondContact O-N 3.06Å; G115-K120 CarbonylContact C-O 3.56Å; G115-K120 VanDerWaalsContact C-O 3.25Å; G115-K120 WeakPolarHBondContact O-CB 3.16Å; G115-K120 PolarHBondContact O-N 3.04Å
116E96Very high96.5Very high82 Ų8231.3 Ų31.338%0.38318%0.181SC..Hα-helixtrans-61-33.9175.9-60.7-171.4134.400111.3K113 M114 E118 G119 K120 I122K113-E116 WeakPolarHBondContact CD-OE2 3.11Å; K113-E116 IonicContact NZ-OE2 2.89Å; K113-E116 PolarHBondContact NZ-OE2 3.05Å; K113-E116 WeakPolarHBondContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CG 3.5Å; K113-E116 PolarHBondContact O-N 3.43Å; M114-E116 PolarHBondContact O-N 3.09Å; E116-E118 PolarHBondContact O-N 2.67Å; E116-G119 PolarHBondContact O-N 3.47Å; E116-K120 WeakPolarHBondContact CA-O 3.19Å; E116-K120 PolarHBondContact N-O 2.99Å; E116-I122 HydrophobicContact CG-CG1 4.33Å
117T94.7Very high96.5Very high55 Ų5531.9 Ų31.934%0.33719%0.188SC..THydrogen-bonded Turntrans-70.5-16.4176.280.20000113.2M114 G115 K137 L334M114-T117 WeakPolarHBondContact O-CB 3.47Å; M114-T117 WeakPolarHBondContact O-CG2 3.48Å; M114-T117 PolarHBondContact O-N 2.81Å; M114-T117 VanDerWaalsContact O-N 3.1Å; M114-T117 PolarHBondContact O-OG1 2.94Å; M114-T117 HydrophobicContact SD-CG2 4.11Å; G115-T117 PolarHBondContact O-N 2.87Å; T117-K137 PolarHBondContact OG1-NZ 3.25Å; T117-L334 HydrophobicContact CG2-CD1 4.17Å; T117-L334 HydrophobicContact CG2-CD2 3.68Å; T117-L334 HydrophobicContact CG2-CG 4.45Å
118E94.5Very high96.5Very high60 Ų6032 Ų3228%0.2819%0.188SC..THydrogen-bonded Turntrans-99.512.9173.1-61.9-63.4138.400111.6G115 E116 T130 H133 V134 K137G115-E118 CarbonylContact O-C 3.54Å; G115-E118 WeakPolarHBondContact O-CA 3.44Å; G115-E118 WeakPolarHBondContact O-CB 3.23Å; G115-E118 PolarHBondContact O-N 3.42Å; E116-E118 PolarHBondContact O-N 2.67Å; E118-T130 HydrophobicContact CB-CG2 3.82Å; E118-T130 HydrophobicContact CG-CG2 4.37Å; E118-H133 HydrophobicContact CG-CB 4.36Å; E118-V134 HydrophobicContact CG-CG2 3.91Å; E118-K137 WeakPolarHBondContact OE1-CE 3.34Å; E118-K137 IonicContact OE1-NZ 2.65Å; E118-K137 PolarHBondContact OE1-NZ 3.39Å
119G95.7Very high96.4Very high63 Ų6333.9 Ų33.965%0.64920%0.201SC*.THydrogen-bonded Turntrans72.626.7-179.500000113.9G115 E116G115-G119 PolarHBondContact O-N 3.06Å; E116-G119 PolarHBondContact O-N 3.47Å
120K96.3Very high96.4Very high62 Ų6234.5 Ų34.527%0.2721%0.206SC..  trans-112.8117.5175.3-60.4-62.1-177.9177.90111.1G115 E116 E124 F126 T130G115-K120 CarbonylContact C-O 3.56Å; G115-K120 VanDerWaalsContact C-O 3.25Å; G115-K120 WeakPolarHBondContact O-CB 3.16Å; G115-K120 PolarHBondContact O-N 3.04Å; E116-K120 WeakPolarHBondContact CA-O 3.19Å; E116-K120 PolarHBondContact N-O 2.99Å; K120-E124 WeakPolarHBondContact CA-OE2 3.33Å; K120-F126 HydrophobicContact CB-CD1 3.93Å; K120-F126 HydrophobicContact CB-CE1 3.43Å; K120-F126 VanDerWaalsContact CB-CE1 3.43Å; K120-F126 HydrophobicContact CB-CZ 4.15Å; K120-F126 HydrophobicContact CD-CD1 4.44Å; K120-F126 HydrophobicContact CG-CD1 3.86Å; K120-F126 HydrophobicContact CG-CE1 3.88Å; K120-T130 HydrophobicContact CG-CG2 3.64Å
121A96.3Very high96.5Very high51 Ų5134.3 Ų34.342%0.42121%0.205SC..  trans-68.1151.917400000111G123 E124A121-G123 PolarHBondContact O-N 3.26Å; A121-E124 HydrophobicContact CB-CG 4.1Å; A121-E124 PolarHBondContact N-OE2 3.17Å; A121-E124 WeakPolarHBondContact O-CB 3.38Å; A121-E124 PolarHBondContact O-N 3.26Å
122I95.8Very high96.5Very high46 Ų4634.2 Ų34.224%0.23621%0.205CC..THydrogen-bonded Turntrans-56.7127172.2-63.9162.6000109.1I48 P53 W59 A112 E116I48-I122 HydrophobicContact CB-CG2 4.35Å; I48-I122 HydrophobicContact CD1-CG2 4.46Å; I48-I122 HydrophobicContact CG2-CD1 3.84Å; I48-I122 HydrophobicContact CG2-CG1 4.3Å; I48-I122 HydrophobicContact CG2-CG2 4.04Å; P53-I122 HydrophobicContact CG-CG2 4.14Å; W59-I122 HydrophobicContact CH2-CG2 4.41Å; A112-I122 HydrophobicContact CB-CG1 4.31Å; A112-I122 HydrophobicContact CB-CG2 4.44Å; E116-I122 HydrophobicContact CG-CG1 4.33Å
123G95Very high96.5Very high30 Ų3036.1 Ų36.131%0.30921%0.213SC..THydrogen-bonded Turntrans98.7-8.7-174.700000114.6W59 A121W59-G123 WeakPolarHBondContact CB-O 3.36Å; W59-G123 VanDerWaalsContact CD2-CA 3.49Å; A121-G123 PolarHBondContact O-N 3.26Å
124E95.3Very high96.6Very high93 Ų9334 Ų3444%0.43520%0.204SC..PPolyproline II helixtrans-86147.9175-67.1-167.1119.100112.6K120 A121 F126K120-E124 WeakPolarHBondContact CA-OE2 3.33Å; A121-E124 HydrophobicContact CB-CG 4.1Å; A121-E124 PolarHBondContact N-OE2 3.17Å; A121-E124 WeakPolarHBondContact O-CB 3.38Å; A121-E124 PolarHBondContact O-N 3.26Å; E124-F126 WeakPolarHBondContact O-CD1 3.41Å
125W94.7Very high96.7Very high51 Ų5134.1 Ų34.119%0.19321%0.205CC..PPolyproline II helixtrans-73.9137.5175.3-178.486.9000111.9M62 P225 N226M62-W125 HydrophobicContact CE-CZ2 3.96Å; W125-P225 HydrophobicContact CD2-CB 4.25Å; W125-P225 HydrophobicContact CE3-CB 4.33Å; W125-P225 HydrophobicContact CE3-CG 4.42Å; W125-P225 HydrophobicContact CH2-CG 4.44Å; W125-P225 HydrophobicContact CZ3-CG 4.27Å; W125-N226 VanDerWaalsContact NE1-N 3.13Å
126F96.7Very high96.7Very high2 Ų236.1 Ų36.11%0.00921%0.213CC..PPolyproline II helixtrans-98.8143.5176.7-66.29.9000110.6M62 L63 I111 K120 E124 T130 I131 V134M62-F126 HydrophobicContact CB-CB 4.24Å; M62-F126 WeakPolarHBondContact CB-O 3.43Å; M62-F126 HydrophobicContact CG-CB 4.12Å; M62-F126 WeakPolarHBondContact CG-O 3.42Å; L63-F126 HydrophobicContact CD1-CB 4Å; L63-F126 HydrophobicContact CD1-CD1 3.94Å; L63-F126 HydrophobicContact CD1-CD2 3.53Å; L63-F126 HydrophobicContact CD1-CE1 4.2Å; L63-F126 HydrophobicContact CD1-CE2 3.85Å; L63-F126 HydrophobicContact CD1-CG 3.56Å; L63-F126 HydrophobicContact CD1-CZ 4.16Å; L63-F126 HydrophobicContact CD2-CE2 4.1Å; L63-F126 HydrophobicContact CD2-CZ 4.16Å; L63-F126 HydrophobicContact CG-CD2 3.89Å; L63-F126 HydrophobicContact CG-CE2 3.85Å; L63-F126 HydrophobicContact CG-CG 4.42Å; L63-F126 HydrophobicContact CG-CZ 4.33Å; I111-F126 HydrophobicContact CG2-CE2 4.14Å; K120-F126 HydrophobicContact CB-CD1 3.93Å; K120-F126 HydrophobicContact CB-CE1 3.43Å; K120-F126 VanDerWaalsContact CB-CE1 3.43Å; K120-F126 HydrophobicContact CB-CZ 4.15Å; K120-F126 HydrophobicContact CD-CD1 4.44Å; K120-F126 HydrophobicContact CG-CD1 3.86Å; K120-F126 HydrophobicContact CG-CE1 3.88Å; E124-F126 WeakPolarHBondContact O-CD1 3.41Å; F126-T130 HydrophobicContact CB-CG2 4.33Å; F126-T130 HydrophobicContact CD1-CG2 4.4Å; F126-T130 HydrophobicContact CD2-CG2 4.06Å; F126-T130 HydrophobicContact CG-CG2 4Å; F126-I131 HydrophobicContact CD2-CB 4.33Å; F126-I131 HydrophobicContact CD2-CD1 4.18Å; F126-V134 HydrophobicContact CE2-CG2 4.05Å
127G97.2Very high96.7Very high14 Ų1433.5 Ų33.514%0.14420%0.201CC..PPolyproline II helixtrans-84.5170.2163.900000112.3S129 T130 I131G127-S129 VanDerWaalsContact C-N 3.25Å; G127-S129 PolarHBondContact O-N 3.01Å; G127-T130 PolarHBondContact O-N 2.91Å; G127-I131 PolarHBondContact O-N 3.24Å
128P98Very high96.8Very high1 Ų130.9 Ų30.91%0.00619%0.185CC..Hα-helixtrans-56-35.7178.8-25.934.8000114.1M62 I131 A132 L221 A283M62-P128 HydrophobicContact CE-CG 3.78Å; P128-I131 VanDerWaalsContact O-CG2 3.27Å; P128-I131 WeakPolarHBondContact O-CG2 3.24Å; P128-A132 WeakPolarHBondContact O-CB 3.41Å; P128-A132 PolarHBondContact O-N 2.82Å; P128-L221 HydrophobicContact CB-CB 4.44Å; P128-A283 HydrophobicContact CB-CB 3.58Å
129S97.8Very high96.8Very high40 Ų4028.2 Ų28.228%0.2817%0.173SC..Hα-helixtrans-66.7-48.1175.9174.10000112.6G127 I131 A132 H133G127-S129 VanDerWaalsContact C-N 3.25Å; G127-S129 PolarHBondContact O-N 3.01Å; S129-I131 PolarHBondContact O-N 2.98Å; S129-A132 WeakPolarHBondContact O-CB 3.45Å; S129-A132 PolarHBondContact O-N 2.89Å; S129-H133 PolarHBondContact O-CD2 2.86Å; S129-H133 PolarHBondContact O-N 2.6Å; S129-H133 VanDerWaalsContact O-N 3.1Å
130T98.1Very high96.7Very high23 Ų2327.5 Ų27.514%0.14116%0.156CC..Hα-helixtrans-60.4-47.6-179.3-510000111.3E118 K120 F126 G127 A132 H133 V134E118-T130 HydrophobicContact CB-CG2 3.82Å; E118-T130 HydrophobicContact CG-CG2 4.37Å; K120-T130 HydrophobicContact CG-CG2 3.64Å; F126-T130 HydrophobicContact CB-CG2 4.33Å; F126-T130 HydrophobicContact CD1-CG2 4.4Å; F126-T130 HydrophobicContact CD2-CG2 4.06Å; F126-T130 HydrophobicContact CG-CG2 4Å; G127-T130 PolarHBondContact O-N 2.91Å; T130-A132 VanDerWaalsContact C-N 3.27Å; T130-A132 PolarHBondContact O-N 2.86Å; T130-H133 PolarHBondContact O-N 2.91Å; T130-V134 WeakPolarHBondContact O-CG2 3.5Å; T130-V134 PolarHBondContact O-N 3.21Å
131I98.5Very high96.5Very high0 Ų026 Ų260%015%0.15CC..Hα-helixtrans-64.4-33.2178.9-171.458.8000112M62 L63 I111 F126 G127 P128 S129 V134 I135 L221M62-I131 HydrophobicContact CG-CB 4.11Å; M62-I131 HydrophobicContact CG-CG2 3.76Å; M62-I131 HydrophobicContact SD-CG2 3.97Å; L63-I131 HydrophobicContact CG-CD1 4.48Å; I111-I131 HydrophobicContact CG2-CD1 3.56Å; F126-I131 HydrophobicContact CD2-CB 4.33Å; F126-I131 HydrophobicContact CD2-CD1 4.18Å; G127-I131 PolarHBondContact O-N 3.24Å; P128-I131 VanDerWaalsContact O-CG2 3.27Å; P128-I131 WeakPolarHBondContact O-CG2 3.24Å; S129-I131 PolarHBondContact O-N 2.98Å; I131-V134 HydrophobicContact CD1-CB 4.47Å; I131-V134 HydrophobicContact CD1-CG1 4.47Å; I131-V134 PolarHBondContact O-N 2.84Å; I131-I135 HydrophobicContact CD1-CG1 4.47Å; I131-I135 HydrophobicContact CG1-CD1 4.12Å; I131-I135 HydrophobicContact CG1-CG1 4.46Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.24Å; I131-I135 PolarHBondContact O-N 2.88Å; I131-L221 HydrophobicContact CG2-CD1 3.69Å
132A98.5Very high96.4Very high1 Ų124 Ų241%0.00813%0.132CC..Hα-helixtrans-63.8-42.5175.400000112.4P128 S129 T130 I135 K136 V151 L190 P192P128-A132 WeakPolarHBondContact O-CB 3.41Å; P128-A132 PolarHBondContact O-N 2.82Å; S129-A132 WeakPolarHBondContact O-CB 3.45Å; S129-A132 PolarHBondContact O-N 2.89Å; T130-A132 VanDerWaalsContact C-N 3.27Å; T130-A132 PolarHBondContact O-N 2.86Å; A132-I135 PolarHBondContact O-N 3.13Å; A132-K136 PolarHBondContact O-N 3.24Å; A132-V151 HydrophobicContact CB-CG1 4.14Å; A132-V151 HydrophobicContact CB-CG2 4.14Å; A132-L190 HydrophobicContact CB-CB 3.98Å; A132-L190 HydrophobicContact CB-CD1 3.58Å; A132-L190 HydrophobicContact CB-CG 4.37Å; A132-P192 HydrophobicContact CB-CG 4.25Å
133H97.9Very high96.2Very high41 Ų4129.1 Ų29.119%0.1916%0.155CC..Hα-helixtrans-67.8-39.4174.9-72-67.6000112.5E118 S129 T130 K136 K137E118-H133 HydrophobicContact CG-CB 4.36Å; S129-H133 PolarHBondContact O-CD2 2.86Å; S129-H133 PolarHBondContact O-N 2.6Å; S129-H133 VanDerWaalsContact O-N 3.1Å; T130-H133 PolarHBondContact O-N 2.91Å; H133-K136 WeakPolarHBondContact O-CB 3.26Å; H133-K136 PolarHBondContact O-N 3.08Å; H133-K137 WeakPolarHBondContact O-CG 3.37Å; H133-K137 PolarHBondContact O-N 3.04Å
134V98.1Very high96.1Very high0 Ų031.4 Ų31.40%015%0.154CC..Hα-helixtrans-60.3-46.5173.6167.80000111.5I111 M114 E118 F126 T130 I131 K136 K137 L138I111-V134 HydrophobicContact CB-CG1 4.32Å; I111-V134 HydrophobicContact CG2-CG1 3.84Å; M114-V134 HydrophobicContact CB-CG1 3.86Å; M114-V134 HydrophobicContact CG-CB 4.28Å; M114-V134 HydrophobicContact CG-CG1 3.82Å; M114-V134 HydrophobicContact CG-CG2 4.26Å; E118-V134 HydrophobicContact CG-CG2 3.91Å; F126-V134 HydrophobicContact CE2-CG2 4.05Å; T130-V134 WeakPolarHBondContact O-CG2 3.5Å; T130-V134 PolarHBondContact O-N 3.21Å; I131-V134 HydrophobicContact CD1-CB 4.47Å; I131-V134 HydrophobicContact CD1-CG1 4.47Å; I131-V134 PolarHBondContact O-N 2.84Å; V134-K136 VanDerWaalsContact C-N 3.31Å; V134-K136 PolarHBondContact O-N 3.33Å; V134-K137 PolarHBondContact O-N 3.14Å; V134-L138 HydrophobicContact CG1-CD1 3.86Å; V134-L138 HydrophobicContact CG1-CG 4.33Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.25Å
135I98.2Very high96.1Very high2 Ų227 Ų271%0.0113%0.134CC..Hα-helixtrans-59.2-43.8175.7-71.2167.3000110.7L70 I131 A132 K137 L138 A139 V149 L188 L190L70-I135 HydrophobicContact CB-CD1 4.49Å; L70-I135 HydrophobicContact CD1-CG2 4.01Å; L70-I135 HydrophobicContact CD2-CG1 4.37Å; L70-I135 HydrophobicContact CD2-CG2 4.08Å; I131-I135 HydrophobicContact CD1-CG1 4.47Å; I131-I135 HydrophobicContact CG1-CD1 4.12Å; I131-I135 HydrophobicContact CG1-CG1 4.46Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.24Å; I131-I135 PolarHBondContact O-N 2.88Å; A132-I135 PolarHBondContact O-N 3.13Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.5Å; I135-L138 PolarHBondContact O-N 3.47Å; I135-A139 WeakPolarHBondContact O-CB 3.3Å; I135-A139 PolarHBondContact O-N 2.87Å; I135-V149 HydrophobicContact CG2-CG1 4.32Å; I135-L188 HydrophobicContact CG2-CD2 3.96Å; I135-L190 HydrophobicContact CB-CD1 4.44Å; I135-L190 HydrophobicContact CG2-CD1 4.36Å
136K97.3Very high96Very high41 Ų4126.1 Ų26.118%0.17814%0.135CC..Hα-helixtrans-56.6-44.8176.9175.7-175.3174.8-1700112A132 H133 V134 V149 V151A132-K136 PolarHBondContact O-N 3.24Å; H133-K136 WeakPolarHBondContact O-CB 3.26Å; H133-K136 PolarHBondContact O-N 3.08Å; V134-K136 VanDerWaalsContact C-N 3.31Å; V134-K136 PolarHBondContact O-N 3.33Å; K136-V149 HydrophobicContact CB-CB 4.15Å; K136-V149 HydrophobicContact CB-CG1 3.78Å; K136-V149 HydrophobicContact CG-CB 4.3Å; K136-V149 HydrophobicContact CG-CG1 4.35Å; K136-V151 HydrophobicContact CB-CG2 4.02Å; K136-V151 HydrophobicContact CD-CG2 4.09Å
137K96.3Very high95.9Very high28 Ų2826.1 Ų26.112%0.12214%0.135CC..Hα-helixtrans-69.8-46.2-179.7-69.3-180165.4174.40112M114 T117 E118 H133 V134 I135 A139 V140 Y329M114-K137 HydrophobicContact CE-CB 3.83Å; M114-K137 HydrophobicContact CG-CB 3.95Å; M114-K137 HydrophobicContact CG-CD 4.3Å; M114-K137 HydrophobicContact SD-CB 3.51Å; M114-K137 VanDerWaalsContact SD-CB 3.51Å; M114-K137 HydrophobicContact SD-CD 3.61Å; M114-K137 HydrophobicContact SD-CG 4.2Å; T117-K137 PolarHBondContact OG1-NZ 3.25Å; E118-K137 WeakPolarHBondContact OE1-CE 3.34Å; E118-K137 IonicContact OE1-NZ 2.65Å; E118-K137 PolarHBondContact OE1-NZ 3.39Å; H133-K137 WeakPolarHBondContact O-CG 3.37Å; H133-K137 PolarHBondContact O-N 3.04Å; V134-K137 PolarHBondContact O-N 3.14Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.5Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.84Å; K137-V140 PolarHBondContact O-N 2.97Å; K137-Y329 HydrophobicContact CB-CD1 4.48Å; K137-Y329 HydrophobicContact CB-CE1 3.87Å; K137-Y329 HydrophobicContact CD-CE2 4.49Å; K137-Y329 HydrophobicContact CG-CD1 4.1Å; K137-Y329 HydrophobicContact CG-CE1 3.71Å; K137-Y329 HydrophobicContact CG-CE2 4.19Å
138L96.4Very high95.8Very high0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-61.7-37.5178.9-71.6174.9000112.8Y106 Q110 I111 M114 V134 I135 V140 H141 F340Y106-L138 HydrophobicContact CD1-CB 3.99Å; Y106-L138 HydrophobicContact CD1-CD1 4.34Å; Y106-L138 HydrophobicContact CE1-CB 3.92Å; Q110-L138 HydrophobicContact CB-CD2 3.95Å; I111-L138 HydrophobicContact CB-CD1 4.35Å; I111-L138 HydrophobicContact CG1-CD1 3.57Å; M114-L138 HydrophobicContact CB-CD2 4.03Å; M114-L138 HydrophobicContact CB-CG 4.18Å; M114-L138 HydrophobicContact CE-CD2 3.77Å; M114-L138 HydrophobicContact CE-CG 4.28Å; M114-L138 HydrophobicContact CG-CD2 4.28Å; M114-L138 HydrophobicContact CG-CG 4.13Å; V134-L138 HydrophobicContact CG1-CD1 3.86Å; V134-L138 HydrophobicContact CG1-CG 4.33Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.25Å; I135-L138 PolarHBondContact O-N 3.47Å; L138-V140 PolarHBondContact O-N 3.41Å; L138-V140 VanDerWaalsContact O-N 3.11Å; L138-H141 PolarHBondContact O-N 3.13Å; L138-F340 HydrophobicContact CD2-CE1 4.04Å
139A95.8Very high95.8Very high4 Ų425.9 Ų25.93%0.03313%0.131CC..G310 helixtrans-64.2-15.5-178.300000114.3I135 K137 H141 D142 V149I135-A139 WeakPolarHBondContact O-CB 3.3Å; I135-A139 PolarHBondContact O-N 2.87Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.84Å; A139-H141 VanDerWaalsContact C-N 3.27Å; A139-D142 PolarHBondContact O-N 3.29Å; A139-V149 HydrophobicContact CB-CB 4.43Å; A139-V149 HydrophobicContact CB-CG2 3.38Å
140V92.7Very high95.8Very high48 Ų4824.1 Ų24.129%0.29112%0.119SC..G310 helixtrans-66.8-31.3173178.10000111.6K137 L138 D142 Y329K137-V140 PolarHBondContact O-N 2.97Å; L138-V140 PolarHBondContact O-N 3.41Å; L138-V140 VanDerWaalsContact O-N 3.11Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-Y329 HydrophobicContact CG2-CD1 3.63Å; V140-Y329 HydrophobicContact CG2-CE1 3.93Å
141H92.3Very high95.8Very high30 Ų3023.6 Ų23.614%0.13912%0.115CC..G310 helixtrans-85.3-5.3-179.3-54.2-75.1000113.1L138 A139 E143 L343L138-H141 PolarHBondContact O-N 3.13Å; A139-H141 VanDerWaalsContact C-N 3.27Å; H141-E143 PolarHBondContact O-N 3.28Å; H141-L343 HydrophobicContact CB-CB 4.31Å; H141-L343 HydrophobicContact CB-CD1 4.11Å
142D93.5Very high95.8Very high8 Ų823.7 Ų23.74%0.04312%0.116CC..  trans-92.780.5178.2-179.92.8000111.1M97 Y106 A139 V140 W144 T145 S146M97-D142 HydrophobicContact CE-CB 4.38Å; M97-D142 VanDerWaalsContact CE-CG 3.41Å; M97-D142 WeakPolarHBondContact CE-OD1 3.47Å; M97-D142 VanDerWaalsContact CE-OD2 3.24Å; M97-D142 WeakPolarHBondContact CE-OD2 3.19Å; Y106-D142 HydrophobicContact CE2-CB 4.46Å; Y106-D142 WeakPolarHBondContact CE2-OD2 3.27Å; Y106-D142 WeakPolarHBondContact OH-CB 3.43Å; Y106-D142 VanDerWaalsContact OH-CG 3.31Å; Y106-D142 PolarHBondContact OH-OD2 3.15Å; A139-D142 PolarHBondContact O-N 3.29Å; V140-D142 VanDerWaalsContact C-N 3.33Å; D142-W144 VanDerWaalsContact C-N 3.29Å; D142-W144 PolarHBondContact O-N 2.77Å; D142-W144 PolarHBondContact OD1-N 2.91Å; D142-T145 VanDerWaalsContact CG-OG1 3.29Å; D142-T145 WeakPolarHBondContact OD1-CB 3.35Å; D142-T145 PolarHBondContact OD1-N 3.32Å; D142-T145 PolarHBondContact OD1-OG1 3.28Å; D142-T145 VanDerWaalsContact OD1-OG1 3.13Å; D142-T145 WeakPolarHBondContact OD2-CB 3.43Å; D142-T145 PolarHBondContact OD2-OG1 2.91Å; D142-S146 PolarHBondContact O-N 2.74Å
143E91.4Very high95.6Very high154 Ų15427.1 Ų27.172%0.7213%0.133SC*.THydrogen-bonded Turntrans-64.7-33.2178.6-61.7-166.4158.900112.8H141 S146H141-E143 PolarHBondContact O-N 3.28Å; E143-S146 PolarHBondContact O-N 3.13Å
144W94.6Very high95.4Very high79 Ų7930.1 Ų30.130%0.29915%0.15SC..THydrogen-bonded Turntrans-65.9-47.7-176.9169.752.3000111.6H78 L90 K93 I94 M97 D142H78-W144 AromaticContact CD2-CH2 3.54Å; H78-W144 AromaticContact CD2-CZ2 3.95Å; H78-W144 AromaticContact CD2-CZ3 3.94Å; H78-W144 AromaticContact CE1-CE2 3.58Å; H78-W144 AromaticContact CE1-CH2 3.74Å; H78-W144 AromaticContact CE1-CZ2 3.42Å; H78-W144 VanDerWaalsContact CE1-CZ2 3.42Å; H78-W144 WeakPolarHBondContact CE1-CZ2 3.3Å; H78-W144 AromaticContact CG-CH2 3.92Å; H78-W144 AromaticContact CG-CZ2 3.97Å; H78-W144 AromaticContact ND1-CZ2 3.67Å; H78-W144 AromaticContact NE2-CE2 3.93Å; H78-W144 AromaticContact NE2-CE3 3.88Å; H78-W144 AromaticContact NE2-CH2 3.41Å; H78-W144 WeakPolarHBondContact NE2-CH2 3.44Å; H78-W144 AromaticContact NE2-CZ2 3.61Å; H78-W144 AromaticContact NE2-CZ3 3.54Å; L90-W144 HydrophobicContact CD2-CZ2 3.99Å; K93-W144 HydrophobicContact CB-CH2 4.29Å; K93-W144 HydrophobicContact CD-CD2 4.01Å; K93-W144 HydrophobicContact CD-CE3 4.18Å; K93-W144 HydrophobicContact CD-CH2 3.8Å; K93-W144 HydrophobicContact CD-CZ2 3.63Å; K93-W144 HydrophobicContact CD-CZ3 4.08Å; K93-W144 HydrophobicContact CG-CE3 4.33Å; K93-W144 HydrophobicContact CG-CH2 3.87Å; K93-W144 HydrophobicContact CG-CZ2 4.24Å; K93-W144 HydrophobicContact CG-CZ3 3.93Å; K93-W144 VanDerWaalsContact NZ-CD2 3.3Å; K93-W144 VanDerWaalsContact NZ-CE2 3.3Å; K93-W144 VanDerWaalsContact NZ-NE1 3.17Å; I94-W144 HydrophobicContact CG1-CH2 3.87Å; I94-W144 HydrophobicContact CG1-CZ3 4.17Å; M97-W144 HydrophobicContact CE-CE3 4.14Å; M97-W144 HydrophobicContact SD-CE3 3.65Å; M97-W144 HydrophobicContact SD-CZ3 3.5Å; M97-W144 WeakPolarHBondContact SD-CZ3 3.37Å; D142-W144 VanDerWaalsContact C-N 3.29Å; D142-W144 PolarHBondContact O-N 2.77Å; D142-W144 PolarHBondContact OD1-N 2.91Å
145T93.8Very high95.3Very high0 Ų033.5 Ų33.50%017%0.168CC..THydrogen-bonded Turntrans-76.8-38.2175.9-53.40000109.7L74 R77 H78 D142 M147L74-T145 HydrophobicContact CD2-CG2 3.35Å; R77-T145 PolarHBondContact NE-O 3.28Å; R77-T145 VanDerWaalsContact NE-O 3.09Å; R77-T145 PolarHBondContact NH1-O 2.98Å; R77-T145 PolarHBondContact NH2-O 2.83Å; H78-T145 PolarHBondContact NE2-OG1 3.31Å; D142-T145 VanDerWaalsContact CG-OG1 3.29Å; D142-T145 WeakPolarHBondContact OD1-CB 3.35Å; D142-T145 PolarHBondContact OD1-N 3.32Å; D142-T145 PolarHBondContact OD1-OG1 3.28Å; D142-T145 VanDerWaalsContact OD1-OG1 3.13Å; D142-T145 WeakPolarHBondContact OD2-CB 3.43Å; D142-T145 PolarHBondContact OD2-OG1 2.91Å; T145-M147 HydrophobicContact CG2-CB 3.68Å; T145-M147 PolarHBondContact O-N 3.41Å
146S92.6Very high95.2Very high33 Ų3334.6 Ų34.623%0.23117%0.174CC..  trans50.634-178.2178.20000112.6D142 E143 R185D142-S146 PolarHBondContact O-N 2.74Å; E143-S146 PolarHBondContact O-N 3.13Å; S146-R185 PolarHBondContact O-NE 2.85Å
147M94.3Very high95.3Very high1 Ų132.6 Ų32.61%0.00517%0.165CC..  trans-75.3141179.2-173.3167.365.300110.1L70 A73 L74 T145 V149 R185 P186 L188 F287L70-M147 HydrophobicContact CD1-CE 3.52Å; A73-M147 HydrophobicContact CB-CE 4.45Å; A73-M147 HydrophobicContact CB-SD 4.23Å; L74-M147 HydrophobicContact CD2-CE 4.25Å; T145-M147 HydrophobicContact CG2-CB 3.68Å; T145-M147 PolarHBondContact O-N 3.41Å; M147-V149 HydrophobicContact CE-CG2 4.16Å; M147-R185 PolarHBondContact O-NH2 3.15Å; M147-P186 WeakPolarHBondContact CA-O 3.41Å; M147-P186 VanDerWaalsContact CG-O 3.25Å; M147-P186 WeakPolarHBondContact CG-O 3.31Å; M147-L188 HydrophobicContact CE-CB 3.89Å; M147-L188 HydrophobicContact CE-CD2 3.83Å; M147-L188 HydrophobicContact CG-CB 4.29Å; M147-L188 HydrophobicContact SD-CB 3.76Å; M147-F287 HydrophobicContact SD-CD2 4.16Å; M147-F287 HydrophobicContact SD-CE2 3.9Å
148A96.2Very high95.3Very high1 Ų131.5 Ų31.51%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-85.8135.7167.800000108.9T165 R185 P186 L187 L188A148-T165 HydrophobicContact CB-CG2 4.28Å; A148-T165 WeakPolarHBondContact CB-O 3.33Å; A148-R185 HydrophobicContact CB-CB 3.9Å; A148-P186 PolarHBondContact N-O 3.22Å; A148-L187 HydrophobicContact CB-CD1 4.2Å; A148-L187 CarbonylContact O-C 3.55Å; A148-L187 WeakPolarHBondContact O-CA 3.44Å; A148-L188 PolarHBondContact O-N 2.94Å
149V97.8Very high95.4Very high9 Ų932.8 Ų32.86%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-120.2118.3175-174.70000109.1I135 K136 A139 M147 L188 L190I135-V149 HydrophobicContact CG2-CG1 4.32Å; K136-V149 HydrophobicContact CB-CB 4.15Å; K136-V149 HydrophobicContact CB-CG1 3.78Å; K136-V149 HydrophobicContact CG-CB 4.3Å; K136-V149 HydrophobicContact CG-CG1 4.35Å; A139-V149 HydrophobicContact CB-CB 4.43Å; A139-V149 HydrophobicContact CB-CG2 3.38Å; M147-V149 HydrophobicContact CE-CG2 4.16Å; V149-L188 WeakPolarHBondContact CA-O 3.49Å; V149-L188 HydrophobicContact CG1-CD2 4.32Å; V149-L188 HydrophobicContact CG1-CG 4.38Å; V149-L188 HydrophobicContact CG2-CB 4.25Å; V149-L188 HydrophobicContact CG2-CD2 4.31Å; V149-L190 HydrophobicContact CG1-CD1 4.13Å
150H98Very high95.4Very high4 Ų436.3 Ų36.32%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-112.6129.6175.7-170.983.2000109.9T165 L187 L188 L189 L190 F326H150-T165 HydrophobicContact CB-CG2 4.09Å; H150-T165 PolarHBondContact ND1-OG1 2.91Å; H150-L187 HydrophobicContact CB-CD1 3.82Å; H150-L188 PolarHBondContact N-O 3.41Å; H150-L189 HydrophobicContact CB-CD1 4.13Å; H150-L189 WeakPolarHBondContact O-CA 3.25Å; H150-L190 PolarHBondContact O-N 2.98Å; H150-F326 AromaticContact CE1-CE2 3.97Å; H150-F326 AromaticContact CE1-CZ 3.96Å; H150-F326 AromaticContact ND1-CZ 3.92Å
151V98.2Very high95.6Very high11 Ų1134.3 Ų34.37%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-108.5106.4173.2-1740000107.6A132 K136 M153 L190 P192A132-V151 HydrophobicContact CB-CG1 4.14Å; A132-V151 HydrophobicContact CB-CG2 4.14Å; K136-V151 HydrophobicContact CB-CG2 4.02Å; K136-V151 HydrophobicContact CD-CG2 4.09Å; V151-M153 HydrophobicContact CG1-SD 3.81Å; V151-L190 CarbonylContact C-O 3.44Å; V151-L190 WeakPolarHBondContact CA-O 3.34Å; V151-L190 HydrophobicContact CG2-CB 4.36Å; V151-L190 HydrophobicContact CG2-CD1 4.43Å; V151-P192 HydrophobicContact CG1-CG 3.82Å
152A97.6Very high95.8Very high2 Ų232.9 Ų32.92%0.01717%0.167CC..  trans-82.1118.417900000109.4I157 L189 L190 L191 P192A152-I157 HydrophobicContact CB-CG1 4.14Å; A152-L189 HydrophobicContact CB-CD1 4.24Å; A152-L190 PolarHBondContact N-O 2.85Å; A152-L191 HydrophobicContact CB-CD2 3.98Å; A152-L191 HydrophobicContact CB-CG 4.03Å; A152-P192 WeakPolarHBondContact O-CD 3.3Å
153M94.7Very high95.8Very high74 Ų7434.6 Ų34.637%0.36518%0.175SC..  trans-102.8171-177.8-62-59.8-73.900110.9V151 N155 I156 P192V151-M153 HydrophobicContact CG1-SD 3.81Å; M153-N155 PolarHBondContact O-N 2.77Å; M153-I156 PolarHBondContact O-N 2.85Å; M153-P192 HydrophobicContact SD-CG 4.18Å
154D93.8Very high96Very high103 Ų10331.4 Ų31.455%0.55116%0.156SC*.THydrogen-bonded Turntrans59.322175.5-51.9-62000114.4I156 W323D154-I156 PolarHBondContact O-N 3.22Å; D154-W323 HydrophobicContact CB-CH2 3.86Å; D154-W323 HydrophobicContact CB-CZ3 4.22Å
155N95.9Very high96Very high71 Ų7128.3 Ų28.338%0.3815%0.146SC..THydrogen-bonded Turntrans57.528.9-174.2-44.5-44.1000113.2M153 L193 F313 E314M153-N155 PolarHBondContact O-N 2.77Å; N155-L193 HydrophobicContact CB-CD2 4.2Å; N155-L193 VanDerWaalsContact OD1-CD2 3.25Å; N155-L193 WeakPolarHBondContact OD1-CD2 3.17Å; N155-F313 HydrophobicContact CB-CB 4.26Å; N155-F313 CarbonylContact O-C 3.6Å; N155-F313 WeakPolarHBondContact O-CA 3.24Å; N155-F313 WeakPolarHBondContact O-CB 3.05Å; N155-E314 PolarHBondContact O-N 3.23Å
156I96.9Very high96Very high25 Ų2528.3 Ų28.313%0.12815%0.146CC..EExtended strand (participates in β ladder)trans-129.4130.4-179.8-59.1164.5000110M153 D154 F158 E314 M316 W323M153-I156 PolarHBondContact O-N 2.85Å; D154-I156 PolarHBondContact O-N 3.22Å; I156-F158 HydrophobicContact CB-CE2 4.09Å; I156-F158 HydrophobicContact CB-CZ 4.07Å; I156-F158 HydrophobicContact CD1-CZ 4.12Å; I156-F158 HydrophobicContact CG2-CD1 3.95Å; I156-F158 HydrophobicContact CG2-CD2 4.15Å; I156-F158 HydrophobicContact CG2-CE1 3.61Å; I156-F158 HydrophobicContact CG2-CE2 3.83Å; I156-F158 HydrophobicContact CG2-CG 4.22Å; I156-F158 HydrophobicContact CG2-CZ 3.55Å; I156-E314 WeakPolarHBondContact CA-O 3.45Å; I156-E314 HydrophobicContact CG1-CB 4.49Å; I156-M316 HydrophobicContact CD1-SD 4.2Å; I156-M316 HydrophobicContact CG2-CB 4.02Å; I156-M316 HydrophobicContact CG2-CG 3.84Å; I156-M316 HydrophobicContact CG2-SD 3.95Å; I156-W323 HydrophobicContact CD1-CH2 4.25Å
157I97.7Very high95.9Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-92.7113.3164.7-55.7171.7000107.9A152 V162 L189 L191 F294 F297 F313 E314 I315 M316A152-I157 HydrophobicContact CB-CG1 4.14Å; I157-V162 HydrophobicContact CG2-CG2 3.77Å; I157-L189 HydrophobicContact CD1-CD2 3.94Å; I157-L191 HydrophobicContact CD1-CD2 3.78Å; I157-L191 HydrophobicContact CG1-CD2 3.59Å; I157-F294 HydrophobicContact CG2-CZ 4.47Å; I157-F297 HydrophobicContact CD1-CE1 4.13Å; I157-F313 HydrophobicContact CD1-CD2 3.85Å; I157-F313 HydrophobicContact CD1-CE2 3.58Å; I157-F313 HydrophobicContact CG1-CD2 4.18Å; I157-F313 HydrophobicContact CG1-CE2 4.4Å; I157-E314 PolarHBondContact N-O 3.14Å; I157-I315 HydrophobicContact CB-CG1 4.29Å; I157-I315 HydrophobicContact CD1-CG1 4.18Å; I157-I315 WeakPolarHBondContact O-CA 3.46Å; I157-M316 PolarHBondContact O-N 3.41Å
158F97.7Very high95.4Very high5 Ų532 Ų322%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-88.5115.2169.1-64.6-69.8000109.5I156 D160 D161 V162 M316 S318 R319 W323I156-F158 HydrophobicContact CB-CE2 4.09Å; I156-F158 HydrophobicContact CB-CZ 4.07Å; I156-F158 HydrophobicContact CD1-CZ 4.12Å; I156-F158 HydrophobicContact CG2-CD1 3.95Å; I156-F158 HydrophobicContact CG2-CD2 4.15Å; I156-F158 HydrophobicContact CG2-CE1 3.61Å; I156-F158 HydrophobicContact CG2-CE2 3.83Å; I156-F158 HydrophobicContact CG2-CG 4.22Å; I156-F158 HydrophobicContact CG2-CZ 3.55Å; F158-D160 VanDerWaalsContact C-N 3.33Å; F158-D160 PolarHBondContact O-N 2.95Å; F158-D161 HydrophobicContact CB-CB 4.07Å; F158-D161 WeakPolarHBondContact CB-OD2 3.35Å; F158-D161 PolarHBondContact O-N 3.12Å; F158-V162 WeakPolarHBondContact O-CG2 3.45Å; F158-V162 PolarHBondContact O-N 3.04Å; F158-V162 VanDerWaalsContact O-N 3.13Å; F158-M316 CarbonylContact C-O 3.57Å; F158-M316 WeakPolarHBondContact CA-O 3.19Å; F158-M316 HydrophobicContact CD1-CB 3.82Å; F158-M316 HydrophobicContact CE1-CB 3.9Å; F158-M316 HydrophobicContact CE1-CG 4.43Å; F158-M316 HydrophobicContact CE1-SD 3.9Å; F158-S318 WeakPolarHBondContact CD1-O 3.2Å; F158-R319 HydrophobicContact CB-CG 4.36Å; F158-R319 HydrophobicContact CD1-CB 4.45Å; F158-R319 HydrophobicContact CD1-CG 3.93Å; F158-R319 HydrophobicContact CD2-CG 3.79Å; F158-R319 HydrophobicContact CE1-CB 4.42Å; F158-R319 HydrophobicContact CE1-CG 4.15Å; F158-R319 HydrophobicContact CE2-CG 4.01Å; F158-R319 HydrophobicContact CG-CG 3.74Å; F158-R319 HydrophobicContact CZ-CG 4.17Å; F158-W323 HydrophobicContact CE2-CE3 4.19Å; F158-W323 AromaticContact CE2-CZ3 3.87Å; F158-W323 HydrophobicContact CE2-CZ3 3.87Å; F158-W323 HydrophobicContact CZ-CE3 4.13Å; F158-W323 HydrophobicContact CZ-CH2 4.46Å; F158-W323 AromaticContact CZ-CZ3 3.9Å; F158-W323 HydrophobicContact CZ-CZ3 3.9Å
159L97.4Very high94Very high27 Ų2738.7 Ų38.714%0.14119%0.191CC..Hα-helixtrans-60.2-44.1-175.8-63.2-179.7000111.6D161 V162 M163 F294 I315 M316 I317L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 3.32Å; L159-V162 PolarHBondContact O-N 3.4Å; L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 VanDerWaalsContact O-CG 3.24Å; L159-M163 WeakPolarHBondContact O-CG 3.15Å; L159-M163 PolarHBondContact O-N 3.01Å; L159-F294 HydrophobicContact CD2-CE1 3.94Å; L159-F294 HydrophobicContact CD2-CZ 3.77Å; L159-I315 HydrophobicContact CD1-CG2 4.17Å; L159-I315 HydrophobicContact CD2-CG2 3.62Å; L159-I315 HydrophobicContact CG-CG2 3.85Å; L159-M316 WeakPolarHBondContact CG-O 3.29Å; L159-M316 PolarHBondContact N-O 3.37Å; L159-I317 HydrophobicContact CD1-CG1 4.38Å; L159-I317 PolarHBondContact N-O 2.92Å; L159-I317 VanDerWaalsContact N-O 3.16Å
160D95.7Very high92Very high77 Ų7740.9 Ų40.941%0.41221%0.206SC..Hα-helixtrans-59.5-39179.5-70.5-16.5000111.8F158 M163 R164 I317 S318F158-D160 VanDerWaalsContact C-N 3.33Å; F158-D160 PolarHBondContact O-N 2.95Å; D160-M163 PolarHBondContact O-N 3.03Å; D160-R164 WeakPolarHBondContact O-CB 3.25Å; D160-R164 VanDerWaalsContact O-CG 3.29Å; D160-R164 WeakPolarHBondContact O-CG 3.32Å; D160-R164 PolarHBondContact O-N 2.81Å; D160-I317 PolarHBondContact N-O 3.37Å; D160-S318 VanDerWaalsContact OD2-CB 3.26Å; D160-S318 WeakPolarHBondContact OD2-CB 3.39Å
161D96.6Very high89.7Confident7 Ų747.2 Ų47.24%0.03724%0.236CC..Hα-helixtrans-67.8-43.3178.1-62.7-4.6000112F158 L159 M163 R164 T165 R319 F326F158-D161 HydrophobicContact CB-CB 4.07Å; F158-D161 WeakPolarHBondContact CB-OD2 3.35Å; F158-D161 PolarHBondContact O-N 3.12Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 3.32Å; D161-M163 VanDerWaalsContact C-N 3.33Å; D161-R164 PolarHBondContact O-N 2.82Å; D161-T165 WeakPolarHBondContact O-CB 3.38Å; D161-T165 PolarHBondContact O-N 2.88Å; D161-T165 PolarHBondContact O-OG1 3.24Å; D161-R319 IonicContact OD1-NE 3.6Å; D161-R319 PolarHBondContact OD1-NE 2.82Å; D161-R319 IonicContact OD2-CZ 2.71Å; D161-R319 IonicContact OD2-NE 2.81Å; D161-R319 PolarHBondContact OD2-NE 3.45Å; D161-R319 IonicContact OD2-NH2 3.56Å; D161-R319 PolarHBondContact OD2-NH2 3.37Å; D161-F326 HydrophobicContact CB-CB 4.33Å; D161-F326 HydrophobicContact CB-CD1 3.67Å; D161-F326 HydrophobicContact CB-CD2 4.02Å; D161-F326 HydrophobicContact CB-CE1 3.9Å; D161-F326 HydrophobicContact CB-CE2 4.25Å; D161-F326 HydrophobicContact CB-CG 3.74Å; D161-F326 HydrophobicContact CB-CZ 4.2Å; D161-F326 VanDerWaalsContact CG-CB 3.48Å; D161-F326 VanDerWaalsContact O-CE1 3.31Å; D161-F326 WeakPolarHBondContact O-CE1 3.4Å; D161-F326 WeakPolarHBondContact OD1-CB 3.42Å; D161-F326 WeakPolarHBondContact OD1-CG 3.39Å
162V96.8Very high87.1Confident0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-62.4-46.2176.7175.30000109.7I157 F158 L159 R164 T165 S166 L187 L189 F294I157-V162 HydrophobicContact CG2-CG2 3.77Å; F158-V162 WeakPolarHBondContact O-CG2 3.45Å; F158-V162 PolarHBondContact O-N 3.04Å; F158-V162 VanDerWaalsContact O-N 3.13Å; L159-V162 PolarHBondContact O-N 3.4Å; V162-R164 PolarHBondContact O-N 2.94Å; V162-T165 WeakPolarHBondContact O-CB 3.46Å; V162-T165 PolarHBondContact O-N 2.83Å; V162-S166 PolarHBondContact O-N 2.92Å; V162-L187 HydrophobicContact CG1-CD2 3.28Å; V162-L189 HydrophobicContact CG2-CD1 4.5Å; V162-F294 HydrophobicContact CB-CE1 4.26Å; V162-F294 HydrophobicContact CB-CE2 4.5Å; V162-F294 HydrophobicContact CB-CZ 3.86Å; V162-F294 HydrophobicContact CG1-CD1 4.34Å; V162-F294 HydrophobicContact CG1-CD2 4.33Å; V162-F294 HydrophobicContact CG1-CE1 3.78Å; V162-F294 HydrophobicContact CG1-CE2 3.78Å; V162-F294 HydrophobicContact CG1-CZ 3.47Å; V162-F294 VanDerWaalsContact CG1-CZ 3.47Å; V162-F294 HydrophobicContact CG2-CZ 4.12Å
163M95Very high84.5Confident44 Ų4458.2 Ų58.222%0.21729%0.294CS..Hα-helixtrans-57.6-47.9177-72.2-50.9-52.400111.2L159 D160 D161 T165 S166 T167 W184 Q291L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 VanDerWaalsContact O-CG 3.24Å; L159-M163 WeakPolarHBondContact O-CG 3.15Å; L159-M163 PolarHBondContact O-N 3.01Å; D160-M163 PolarHBondContact O-N 3.03Å; D161-M163 VanDerWaalsContact C-N 3.33Å; M163-T165 PolarHBondContact O-N 3.37Å; M163-S166 PolarHBondContact O-N 3.14Å; M163-T167 HydrophobicContact CE-CG2 4.37Å; M163-T167 WeakPolarHBondContact O-CB 3.14Å; M163-T167 WeakPolarHBondContact O-CG2 3.32Å; M163-T167 PolarHBondContact O-N 3.05Å; M163-T167 VanDerWaalsContact O-N 3.08Å; M163-T167 PolarHBondContact O-OG1 3.5Å; M163-W184 HydrophobicContact CE-CE3 4.36Å; M163-W184 HydrophobicContact CE-CZ3 4.11Å; M163-W184 HydrophobicContact SD-CZ3 3.87Å; M163-Q291 HydrophobicContact CE-CG 4.14Å; M163-Q291 HydrophobicContact SD-CG 4.27Å
164R94.2Very high81.8Confident87 Ų8760.8 Ų60.833%0.32832%0.319SS..Hα-helixtrans-61.8-43176-72.2-178.467.7-150-11.8112.1D160 D161 V162 S166 T167 E168 F326D160-R164 WeakPolarHBondContact O-CB 3.25Å; D160-R164 VanDerWaalsContact O-CG 3.29Å; D160-R164 WeakPolarHBondContact O-CG 3.32Å; D160-R164 PolarHBondContact O-N 2.81Å; D161-R164 PolarHBondContact O-N 2.82Å; V162-R164 PolarHBondContact O-N 2.94Å; R164-S166 VanDerWaalsContact C-N 3.29Å; R164-S166 PolarHBondContact O-N 3.25Å; R164-T167 PolarHBondContact O-N 2.99Å; R164-E168 WeakPolarHBondContact CG-OE1 3.47Å; R164-E168 IonicContact CZ-OE1 3.4Å; R164-E168 IonicContact CZ-OE2 3.76Å; R164-E168 IonicContact NE-OE1 3.61Å; R164-E168 PolarHBondContact NE-OE1 2.96Å; R164-E168 IonicContact NE-OE2 3.85Å; R164-E168 IonicContact NH2-OE1 2.81Å; R164-E168 PolarHBondContact NH2-OE1 3.09Å; R164-E168 IonicContact NH2-OE2 2.63Å; R164-E168 PolarHBondContact NH2-OE2 2.98Å; R164-E168 VanDerWaalsContact O-CB 3.31Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 PolarHBondContact O-N 3.26Å; R164-F326 HydrophobicContact CB-CD1 4.45Å; R164-F326 HydrophobicContact CB-CE1 4.4Å; R164-F326 PolarHBondContact NH1-O 3.43Å
165T94.7Very high79.5Confident13 Ų1362.8 Ų62.88%0.0833%0.329CS..Hα-helixtrans-59.6-39.7178.1-51.50000112A148 H150 D161 V162 M163 F326A148-T165 HydrophobicContact CB-CG2 4.28Å; A148-T165 WeakPolarHBondContact CB-O 3.33Å; H150-T165 HydrophobicContact CB-CG2 4.09Å; H150-T165 PolarHBondContact ND1-OG1 2.91Å; D161-T165 WeakPolarHBondContact O-CB 3.38Å; D161-T165 PolarHBondContact O-N 2.88Å; D161-T165 PolarHBondContact O-OG1 3.24Å; V162-T165 WeakPolarHBondContact O-CB 3.46Å; V162-T165 PolarHBondContact O-N 2.83Å; M163-T165 PolarHBondContact O-N 3.37Å; T165-F326 WeakPolarHBondContact OG1-CE1 3.32Å; T165-F326 VanDerWaalsContact OG1-CZ 3.23Å; T165-F326 WeakPolarHBondContact OG1-CZ 3.49Å
166S94.1Very high76.9Confident0 Ų068 Ų680%035%0.348CS..Hα-helixtrans-84.7-11.3-178.7-73.80000114.7V162 M163 R164 W184 R185V162-S166 PolarHBondContact O-N 2.92Å; M163-S166 PolarHBondContact O-N 3.14Å; R164-S166 VanDerWaalsContact C-N 3.29Å; R164-S166 PolarHBondContact O-N 3.25Å; S166-W184 VanDerWaalsContact CB-CE3 3.46Å; S166-W184 WeakPolarHBondContact OG-CH2 3.33Å; S166-R185 WeakPolarHBondContact O-CB 3.45Å; S166-R185 PolarHBondContact O-N 3.46Å; S166-R185 PolarHBondContact OG-O 3.43Å
167T91.5Very high74Confident31 Ų3173.7 Ų73.719%0.1938%0.379CS..Hα-helixtrans-117.5-30.2-175.254.80000114.2M163 R164 S182M163-T167 HydrophobicContact CE-CG2 4.37Å; M163-T167 WeakPolarHBondContact O-CB 3.14Å; M163-T167 WeakPolarHBondContact O-CG2 3.32Å; M163-T167 PolarHBondContact O-N 3.05Å; M163-T167 VanDerWaalsContact O-N 3.08Å; M163-T167 PolarHBondContact O-OG1 3.5Å; R164-T167 PolarHBondContact O-N 2.99Å; T167-S182 VanDerWaalsContact CB-OG 3.29Å; T167-S182 WeakPolarHBondContact CB-OG 3.13Å; T167-S182 WeakPolarHBondContact O-CB 3.45Å
168E83.1Confident71.5Confident80 Ų8078.8 Ų78.837%0.37442%0.415SS..  trans-80121.6176.2-63.8175.8-169.500108.9R164 R185 P328R164-E168 WeakPolarHBondContact CG-OE1 3.47Å; R164-E168 IonicContact CZ-OE1 3.4Å; R164-E168 IonicContact CZ-OE2 3.76Å; R164-E168 IonicContact NE-OE1 3.61Å; R164-E168 PolarHBondContact NE-OE1 2.96Å; R164-E168 IonicContact NE-OE2 3.85Å; R164-E168 IonicContact NH2-OE1 2.81Å; R164-E168 PolarHBondContact NH2-OE1 3.09Å; R164-E168 IonicContact NH2-OE2 2.63Å; R164-E168 PolarHBondContact NH2-OE2 2.98Å; R164-E168 VanDerWaalsContact O-CB 3.31Å; R164-E168 WeakPolarHBondContact O-CB 3.46Å; R164-E168 PolarHBondContact O-N 3.26Å; E168-R185 PolarHBondContact O-NH1 3.47Å; E168-P328 WeakPolarHBondContact OE2-CG 3.38Å
169K66.7Low69Low143 Ų14389.4 Ų89.462%0.62246%0.461SS*.  trans-85.4145.2160.7-76.5-170.8176.3-174.90107.8E171K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 PolarHBondContact O-N 3.49Å
170S56Low66.7Low55 Ų5591.7 Ų91.739%0.38548%0.484SS..  trans-61.592.8166.9-1780000107.8N172 D330S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 3.27Å; S170-D330 WeakPolarHBondContact OG-CB 3.3Å; S170-D330 PolarHBondContact OG-O 3.17Å
171E49.5Very low64.6Low136 Ų13692.7 Ų92.764%0.63650%0.503SS*.  trans-78.875.9-179.4-76.7-170.4164.200109.8K169 N173K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 PolarHBondContact O-N 3.49Å; E171-N173 PolarHBondContact O-N 3.2Å; E171-N173 VanDerWaalsContact O-N 3.15Å
172N44.4Very low63.3Low102 Ų10295.7 Ų95.755%0.54552%0.524SS..  trans-7927.1168.2-94.9-15.9000113.5S170 D332S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 3.27Å; N172-D332 PolarHBondContact ND2-OD1 2.93Å
173N41.5Very low62.8Low143 Ų143103.9 Ų103.977%0.76556%0.562SS**SBendtrans-143.593.6175.2-89.7-42.6000112.7E171 L175E171-N173 PolarHBondContact O-N 3.2Å; E171-N173 VanDerWaalsContact O-N 3.15Å; N173-L175 PolarHBondContact O-N 2.88Å
174S38.7Very low62.8Low127 Ų127103.4 Ų103.489%0.88856%0.558SS**SBendtrans2.325148.6-52.40000123.3
175L44.8Very low62.8Low146 Ų146101.4 Ų101.476%0.76455%0.551SS**  trans-132.469.7172.7-86.2139.1000110.1N173 N177N173-L175 PolarHBondContact O-N 2.88Å; L175-N177 PolarHBondContact O-N 3.5Å
176K42Very low62.9Low179 Ų179101.7 Ų101.778%0.77855%0.553SS**  trans-62.481.6161-77.5-176174.81770109.4
177N36.9Very low63.1Low145 Ų145101.7 Ų101.778%0.77555%0.553SS**  trans-157.963.7172.4-100.5-18000112.7L175L175-N177 PolarHBondContact O-N 3.5Å
178S43.7Very low63.5Low107 Ų107100.2 Ų100.275%0.74854%0.544SS*.  trans-171.2125.9143.733.70000110.1A180S178-A180 PolarHBondContact O-N 3.32Å
179K46.1Very low64.2Low229 Ų22996.4 Ų96.4100%0.99653%0.526SS*.  trans-64.947.8163.7-72.7178.8170.2178.60111.3A181K179-A181 PolarHBondContact O-N 3.38Å
180A48.6Very low65.7Low75 Ų7589.7 Ų89.762%0.6250%0.497SS*.  trans-68.5121.6167.900000106.2S178 S182S178-A180 PolarHBondContact O-N 3.32Å; A180-S182 PolarHBondContact O-N 2.96Å; A180-S182 VanDerWaalsContact O-N 3.11Å
181A52.7Low67.7Low98 Ų9887.1 Ų87.181%0.8148%0.479SS*.  trans-50.7122.9174.400000108.2K179 E183K179-A181 PolarHBondContact O-N 3.38Å; A181-E183 PolarHBondContact O-N 3.35Å
182S68.9Low70.1Confident70 Ų7081.4 Ų81.449%0.4945%0.453SS..  trans-58.9111.8-179.6540000109.4T167 A180T167-S182 VanDerWaalsContact CB-OG 3.29Å; T167-S182 WeakPolarHBondContact CB-OG 3.13Å; T167-S182 WeakPolarHBondContact O-CB 3.45Å; A180-S182 PolarHBondContact O-N 2.96Å; A180-S182 VanDerWaalsContact O-N 3.11Å
183E86.3Confident72.6Confident171 Ų17176.9 Ų76.980%0.79943%0.429SS*.PPolyproline II helixtrans-66.7136178.5-172.2175.7-168.600110.1A181 R185A181-E183 PolarHBondContact O-N 3.35Å; E183-R185 PolarHBondContact O-N 3.33Å
184W93.5Very high75.3Confident35 Ų3576 Ų7613%0.13342%0.415CS..PPolyproline II helixtrans-62.4118.6177174.4-89.6000110.5M163 S166 L187 F288 S290 Q291 F294M163-W184 HydrophobicContact CE-CE3 4.36Å; M163-W184 HydrophobicContact CE-CZ3 4.11Å; M163-W184 HydrophobicContact SD-CZ3 3.87Å; S166-W184 VanDerWaalsContact CB-CE3 3.46Å; S166-W184 WeakPolarHBondContact OG-CH2 3.33Å; W184-L187 HydrophobicContact CH2-CB 4.31Å; W184-L187 HydrophobicContact CH2-CD2 3.89Å; W184-L187 HydrophobicContact CZ2-CB 3.64Å; W184-L187 HydrophobicContact CZ2-CD2 3.98Å; W184-L187 HydrophobicContact CZ2-CG 4.48Å; W184-F288 HydrophobicContact CZ2-CB 4.22Å; W184-F288 PolarHBondContact NE1-O 2.97Å; W184-S290 VanDerWaalsContact NE1-C 3.3Å; W184-Q291 HydrophobicContact CD2-CB 3.78Å; W184-Q291 HydrophobicContact CE3-CB 3.59Å; W184-Q291 HydrophobicContact CE3-CG 3.86Å; W184-Q291 HydrophobicContact CG-CB 4.2Å; W184-Q291 HydrophobicContact CZ3-CB 4.06Å; W184-Q291 HydrophobicContact CZ3-CG 3.93Å; W184-F294 HydrophobicContact CH2-CB 3.82Å; W184-F294 HydrophobicContact CH2-CD1 4.01Å; W184-F294 AromaticContact CH2-CG 3.96Å; W184-F294 HydrophobicContact CH2-CG 3.96Å; W184-F294 HydrophobicContact CZ2-CB 3.99Å
185R95.3Very high78.1Confident45 Ų4570 Ų7017%0.1737%0.373CS..PPolyproline II helixtrans-79127.5165.7-67.1169.360.8-172.81.2108.6S146 M147 A148 S166 E168 E183 L187S146-R185 PolarHBondContact O-NE 2.85Å; M147-R185 PolarHBondContact O-NH2 3.15Å; A148-R185 HydrophobicContact CB-CB 3.9Å; S166-R185 WeakPolarHBondContact O-CB 3.45Å; S166-R185 PolarHBondContact O-N 3.46Å; S166-R185 PolarHBondContact OG-O 3.43Å; E168-R185 PolarHBondContact O-NH1 3.47Å; E183-R185 PolarHBondContact O-N 3.33Å; R185-L187 PolarHBondContact O-N 3.16Å
186P97.1Very high80.5Confident19 Ų1963.9 Ų63.912%0.12335%0.345CS..PPolyproline II helixtrans-49135.6172.5-31.737.2000111.2M147 A148 F287 F288M147-P186 WeakPolarHBondContact CA-O 3.41Å; M147-P186 VanDerWaalsContact CG-O 3.25Å; M147-P186 WeakPolarHBondContact CG-O 3.31Å; A148-P186 PolarHBondContact N-O 3.22Å; P186-F287 HydrophobicContact CB-CE2 3.92Å; P186-F287 HydrophobicContact CB-CZ 3.8Å; P186-F288 CarbonylContact C-O 3.4Å; P186-F288 VanDerWaalsContact CA-O 3.26Å; P186-F288 WeakPolarHBondContact CA-O 3.1Å
187L98.3Very high83Confident0 Ų062.9 Ų62.90%035%0.348CS..EExtended strand (participates in β ladder)trans-111.2126.2-164.8173.565000110.4A148 H150 V162 W184 R185 L189 F287 F288 F294A148-L187 HydrophobicContact CB-CD1 4.2Å; A148-L187 CarbonylContact O-C 3.55Å; A148-L187 WeakPolarHBondContact O-CA 3.44Å; H150-L187 HydrophobicContact CB-CD1 3.82Å; V162-L187 HydrophobicContact CG1-CD2 3.28Å; W184-L187 HydrophobicContact CH2-CB 4.31Å; W184-L187 HydrophobicContact CH2-CD2 3.89Å; W184-L187 HydrophobicContact CZ2-CB 3.64Å; W184-L187 HydrophobicContact CZ2-CD2 3.98Å; W184-L187 HydrophobicContact CZ2-CG 4.48Å; R185-L187 PolarHBondContact O-N 3.16Å; L187-L189 HydrophobicContact CG-CB 4.46Å; L187-F287 CarbonylContact O-C 3.55Å; L187-F287 WeakPolarHBondContact O-CA 3.33Å; L187-F288 HydrophobicContact CB-CB 4.31Å; L187-F288 HydrophobicContact CB-CD2 4.16Å; L187-F288 HydrophobicContact CD2-CD2 3.76Å; L187-F288 HydrophobicContact CD2-CE2 4.3Å; L187-F288 HydrophobicContact CG-CD2 4.02Å; L187-F288 PolarHBondContact N-O 3.16Å; L187-F288 PolarHBondContact O-N 3.11Å; L187-F294 HydrophobicContact CD2-CD2 4.13Å; L187-F294 HydrophobicContact CD2-CE2 4.44Å
188L98.7Very high85.8Confident0 Ų061.5 Ų61.50%035%0.345CS..EExtended strand (participates in β ladder)trans-95.4111.7158.817459.7000108.6L69 L70 A73 I135 M147 A148 V149 H150 L190 L218L69-L188 HydrophobicContact CD2-CD1 4.14Å; L70-L188 HydrophobicContact CD1-CD2 3.89Å; A73-L188 HydrophobicContact CB-CD1 4.22Å; A73-L188 HydrophobicContact CB-CD2 4.47Å; I135-L188 HydrophobicContact CG2-CD2 3.96Å; M147-L188 HydrophobicContact CE-CB 3.89Å; M147-L188 HydrophobicContact CE-CD2 3.83Å; M147-L188 HydrophobicContact CG-CB 4.29Å; M147-L188 HydrophobicContact SD-CB 3.76Å; A148-L188 PolarHBondContact O-N 2.94Å; V149-L188 WeakPolarHBondContact CA-O 3.49Å; V149-L188 HydrophobicContact CG1-CD2 4.32Å; V149-L188 HydrophobicContact CG1-CG 4.38Å; V149-L188 HydrophobicContact CG2-CB 4.25Å; V149-L188 HydrophobicContact CG2-CD2 4.31Å; H150-L188 PolarHBondContact N-O 3.41Å; L188-L190 HydrophobicContact CD1-CD2 3.95Å; L188-L190 HydrophobicContact CD1-CG 4.45Å; L188-L190 HydrophobicContact CD2-CD1 4.45Å; L188-L190 HydrophobicContact CD2-CD2 4.44Å; L188-L190 HydrophobicContact CG-CD2 4.13Å; L188-L190 HydrophobicContact CG-CG 4.13Å; L188-L218 HydrophobicContact CD1-CD1 3.4Å; L188-L218 VanDerWaalsContact CD1-CD1 3.4Å
189L98.7Very high88.2Confident0 Ų062.7 Ų62.70%034%0.338CS..EExtended strand (participates in β ladder)trans-98.4123.2174.6178.665.4000109.3H150 A152 I157 V162 L187 L191 A285 F286 F288 F297H150-L189 HydrophobicContact CB-CD1 4.13Å; H150-L189 WeakPolarHBondContact O-CA 3.25Å; A152-L189 HydrophobicContact CB-CD1 4.24Å; I157-L189 HydrophobicContact CD1-CD2 3.94Å; V162-L189 HydrophobicContact CG2-CD1 4.5Å; L187-L189 HydrophobicContact CG-CB 4.46Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CG-CD1 3.74Å; L189-L191 HydrophobicContact CG-CG 4.36Å; L189-A285 VanDerWaalsContact O-CA 3.29Å; L189-A285 WeakPolarHBondContact O-CA 3.45Å; L189-F286 HydrophobicContact CB-CB 4.49Å; L189-F286 HydrophobicContact CD2-CD2 4.5Å; L189-F286 PolarHBondContact N-O 2.93Å; L189-F286 PolarHBondContact O-N 2.87Å; L189-F288 HydrophobicContact CB-CD2 4.48Å; L189-F288 HydrophobicContact CB-CE2 3.78Å; L189-F288 HydrophobicContact CD2-CE2 3.99Å; L189-F288 HydrophobicContact CD2-CZ 4.43Å; L189-F297 HydrophobicContact CD2-CE1 4.14Å
190L98.8Very high90.6Very high2 Ų252 Ų521%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-114.9131.9176-59.2174.8000109.2L69 A132 I135 V149 H150 V151 A152 L188 L284 A285L69-L190 HydrophobicContact CD2-CD2 3.89Å; A132-L190 HydrophobicContact CB-CB 3.98Å; A132-L190 HydrophobicContact CB-CD1 3.58Å; A132-L190 HydrophobicContact CB-CG 4.37Å; I135-L190 HydrophobicContact CB-CD1 4.44Å; I135-L190 HydrophobicContact CG2-CD1 4.36Å; V149-L190 HydrophobicContact CG1-CD1 4.13Å; H150-L190 PolarHBondContact O-N 2.98Å; V151-L190 CarbonylContact C-O 3.44Å; V151-L190 WeakPolarHBondContact CA-O 3.34Å; V151-L190 HydrophobicContact CG2-CB 4.36Å; V151-L190 HydrophobicContact CG2-CD1 4.43Å; A152-L190 PolarHBondContact N-O 2.85Å; L188-L190 HydrophobicContact CD1-CD2 3.95Å; L188-L190 HydrophobicContact CD1-CG 4.45Å; L188-L190 HydrophobicContact CD2-CD1 4.45Å; L188-L190 HydrophobicContact CD2-CD2 4.44Å; L188-L190 HydrophobicContact CG-CD2 4.13Å; L188-L190 HydrophobicContact CG-CG 4.13Å; L190-L284 CarbonylContact C-O 3.55Å; L190-L284 WeakPolarHBondContact CA-O 3.28Å; L190-A285 HydrophobicContact CD2-CB 3.56Å
191L98.3Very high92.8Very high1 Ų152 Ų521%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-125.691.9178.8-60.7104.8000110.1A152 I157 L189 L193 A283 L284 F286 F313A152-L191 HydrophobicContact CB-CD2 3.98Å; A152-L191 HydrophobicContact CB-CG 4.03Å; I157-L191 HydrophobicContact CD1-CD2 3.78Å; I157-L191 HydrophobicContact CG1-CD2 3.59Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CG-CD1 3.74Å; L189-L191 HydrophobicContact CG-CG 4.36Å; L191-L193 HydrophobicContact CB-CG 4.49Å; L191-L193 PolarHBondContact O-N 2.83Å; L191-A283 CarbonylContact O-C 3.56Å; L191-A283 VanDerWaalsContact O-CA 3.24Å; L191-A283 WeakPolarHBondContact O-CA 3.34Å; L191-L284 HydrophobicContact CB-CB 4.37Å; L191-L284 HydrophobicContact CD1-CB 4.42Å; L191-L284 PolarHBondContact N-O 2.83Å; L191-L284 PolarHBondContact O-N 3.27Å; L191-F286 HydrophobicContact CD1-CD2 3.72Å; L191-F286 HydrophobicContact CD1-CE2 3.74Å; L191-F313 HydrophobicContact CD2-CB 4.45Å; L191-F313 HydrophobicContact CD2-CD1 4.33Å; L191-F313 HydrophobicContact CD2-CD2 3.98Å; L191-F313 HydrophobicContact CD2-CE2 4.28Å; L191-F313 HydrophobicContact CD2-CG 4.01Å
192P98.5Very high94.9Very high15 Ų1551.7 Ų51.710%0.09727%0.271CS..EExtended strand (participates in β ladder)trans-63.3127167.9-19.233.4000110.5A132 V151 A152 M153 V282A132-P192 HydrophobicContact CB-CG 4.25Å; V151-P192 HydrophobicContact CG1-CG 3.82Å; A152-P192 WeakPolarHBondContact O-CD 3.3Å; M153-P192 HydrophobicContact SD-CG 4.18Å; P192-V282 CarbonylContact C-O 3.39Å; P192-V282 WeakPolarHBondContact CA-O 3.45Å
193L98.1Very high96.1Very high7 Ų750.4 Ų50.44%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-132.5151.3-176.7-59.1172.9000110.7N155 L191 L195 V282 L284 M312 F313N155-L193 HydrophobicContact CB-CD2 4.2Å; N155-L193 VanDerWaalsContact OD1-CD2 3.25Å; N155-L193 WeakPolarHBondContact OD1-CD2 3.17Å; L191-L193 HydrophobicContact CB-CG 4.49Å; L191-L193 PolarHBondContact O-N 2.83Å; L193-L195 HydrophobicContact CB-CD2 3.94Å; L193-L195 HydrophobicContact CB-CG 4.21Å; L193-L195 HydrophobicContact CD1-CD2 4.17Å; L193-V282 HydrophobicContact CB-CG2 3.98Å; L193-V282 PolarHBondContact N-O 3.18Å; L193-V282 PolarHBondContact O-N 3.06Å; L193-L284 HydrophobicContact CD1-CD1 3.68Å; L193-L284 HydrophobicContact CD1-CG 4.02Å; L193-M312 HydrophobicContact CD1-CB 4.22Å; L193-F313 HydrophobicContact CD1-CD1 4.36Å; L193-F313 HydrophobicContact CD2-CB 4.25Å
194R97.3Very high96.6Very high124 Ų12445.1 Ų45.147%0.46824%0.235SC..EExtended strand (participates in β ladder)trans-118.196.2168.7-173.262174.3-174-3.8109.9G196 L197 D279 P280 S281R194-G196 VanDerWaalsContact C-N 3.26Å; R194-G196 WeakPolarHBondContact CD-O 3.38Å; R194-G196 WeakPolarHBondContact CG-O 3.4Å; R194-G196 PolarHBondContact NE-O 3.03Å; R194-G196 PolarHBondContact O-N 3.45Å; R194-L197 PolarHBondContact NH2-O 3.48Å; R194-D279 IonicContact NH1-OD1 3.39Å; R194-D279 PolarHBondContact NH1-OD1 2.82Å; R194-P280 CarbonylContact C-O 3.6Å; R194-P280 WeakPolarHBondContact CA-O 3.29Å; R194-S281 VanDerWaalsContact NH1-CB 3.31Å; R194-S281 VanDerWaalsContact NH1-N 3.13Å
195L96.9Very high96.7Very high3 Ų344 Ų442%0.01623%0.232CC..  trans-87.919.9-170.9-56.6-178.2000114.1L193 L200 N201 Y204 L208 P280 V282 M312L193-L195 HydrophobicContact CB-CD2 3.94Å; L193-L195 HydrophobicContact CB-CG 4.21Å; L193-L195 HydrophobicContact CD1-CD2 4.17Å; L195-L200 HydrophobicContact CB-CD1 3.41Å; L195-L200 VanDerWaalsContact CB-CD1 3.41Å; L195-L200 HydrophobicContact CD1-CD1 3.83Å; L195-L200 HydrophobicContact CG-CD1 4.28Å; L195-N201 WeakPolarHBondContact O-CB 3.21Å; L195-N201 PolarHBondContact O-N 2.88Å; L195-Y204 HydrophobicContact CB-CD2 3.87Å; L195-Y204 HydrophobicContact CB-CE2 4.4Å; L195-Y204 HydrophobicContact CD2-CD2 4.19Å; L195-Y204 HydrophobicContact CD2-CG 4.28Å; L195-Y204 VanDerWaalsContact O-CD2 3.3Å; L195-Y204 WeakPolarHBondContact O-CD2 3.33Å; L195-L208 HydrophobicContact CD1-CD1 4.48Å; L195-L208 HydrophobicContact CD1-CD2 4.28Å; L195-P280 PolarHBondContact N-O 2.98Å; L195-V282 HydrophobicContact CD1-CG2 3.77Å; L195-V282 HydrophobicContact CG-CG2 4.04Å; L195-M312 HydrophobicContact CD1-SD 3.94Å; L195-M312 HydrophobicContact CD2-CB 4.08Å; L195-M312 HydrophobicContact CD2-CG 3.91Å; L195-M312 HydrophobicContact CD2-SD 3.97Å
196G96.2Very high96.7Very high17 Ų1744.8 Ų44.818%0.17524%0.243CC..  trans163.5171.4-177.400000112.5R194 Q199R194-G196 VanDerWaalsContact C-N 3.26Å; R194-G196 WeakPolarHBondContact CD-O 3.38Å; R194-G196 WeakPolarHBondContact CG-O 3.4Å; R194-G196 PolarHBondContact NE-O 3.03Å; R194-G196 PolarHBondContact O-N 3.45Å; G196-Q199 WeakPolarHBondContact CA-O 3.02Å
197L95Very high96.6Very high158 Ų15844.1 Ų44.183%0.82724%0.239SC*.SBendtrans-81.9-53.1-178.4-67.1179.2000112.2R194R194-L197 PolarHBondContact NH2-O 3.48Å
198T94Very high96.5Very high116 Ų11644.1 Ų44.171%0.71224%0.239SC*.SBendtrans-125.6-31.1-179.552.10000112.4P280T198-P280 WeakPolarHBondContact O-CD 3.14Å
199Q94.5Very high96.4Very high131 Ų13144.9 Ų44.961%0.61224%0.243SC*.SBendtrans-128.3159.2175.864.6-172.94200109.3G196 N201G196-Q199 WeakPolarHBondContact CA-O 3.02Å; Q199-N201 PolarHBondContact O-N 3.08Å
200L96.2Very high96.3Very high6 Ų647.7 Ų47.73%0.03126%0.256CS..  trans-56129.2171.6179.164.4000110.3L195 P202 V205 L208 V275 I278L195-L200 HydrophobicContact CB-CD1 3.41Å; L195-L200 VanDerWaalsContact CB-CD1 3.41Å; L195-L200 HydrophobicContact CD1-CD1 3.83Å; L195-L200 HydrophobicContact CG-CD1 4.28Å; L200-P202 WeakPolarHBondContact O-CD 3.49Å; L200-V205 HydrophobicContact CD2-CG2 3.54Å; L200-V205 HydrophobicContact CG-CG2 4.25Å; L200-L208 HydrophobicContact CD2-CD2 4.29Å; L200-V275 HydrophobicContact CD2-CG2 3.81Å; L200-V275 WeakPolarHBondContact CD2-O 3.2Å; L200-I278 HydrophobicContact CB-CG1 4.19Å; L200-I278 HydrophobicContact CD2-CD1 3.92Å; L200-I278 HydrophobicContact CD2-CG1 4.09Å
201N96.2Very high96.2Very high75 Ų7547.8 Ų47.840%0.40126%0.256SS..  trans-72121.6171.2-171.9-21.2000109.1L195 Q199 C203 Y204L195-N201 WeakPolarHBondContact O-CB 3.21Å; L195-N201 PolarHBondContact O-N 2.88Å; Q199-N201 PolarHBondContact O-N 3.08Å; N201-C203 PolarHBondContact O-N 3.47Å; N201-C203 PolarHBondContact OD1-N 3.23Å; N201-C203 PolarHBondContact OD1-SG 3.09Å; N201-C203 VanDerWaalsContact OD1-SG 3.32Å; N201-Y204 HydrophobicContact CB-CD2 3.8Å; N201-Y204 HydrophobicContact CB-CE2 3.96Å; N201-Y204 PolarHBondContact O-N 2.99Å
202P95.6Very high96.1Very high91 Ų9148.8 Ų48.859%0.59126%0.261SS*.G310 helixtrans-55.3-23.6-177.4-28.336.1000114.6L200 Y204 V205L200-P202 WeakPolarHBondContact O-CD 3.49Å; P202-Y204 PolarHBondContact O-N 3.48Å; P202-V205 WeakPolarHBondContact O-CB 3.39Å; P202-V205 PolarHBondContact O-N 3.32Å
203C95.2Very high95.9Very high43 Ų4354.1 Ų54.129%0.29128%0.283SS..G310 helixtrans-60.6-30.9177.771.60000112.8N201 P206 C310N201-C203 PolarHBondContact O-N 3.47Å; N201-C203 PolarHBondContact OD1-N 3.23Å; N201-C203 PolarHBondContact OD1-SG 3.09Å; N201-C203 VanDerWaalsContact OD1-SG 3.32Å; C203-P206 WeakPolarHBondContact O-CD 3.12Å; C203-C310 VanDerWaalsContact CB-SG 3.55Å; C203-C310 PolarHBondContact O-SG 3.28Å; C203-C310 PolarHBondContact SG-SG 2.97Å
204Y96.3Very high95.8Very high59 Ų5954.3 Ų54.323%0.23128%0.284CS..G310 helixtrans-81.2-17.3180-61.6-54.7000113.7L195 N201 P202 A207 L208 C310 T311 M312L195-Y204 HydrophobicContact CB-CD2 3.87Å; L195-Y204 HydrophobicContact CB-CE2 4.4Å; L195-Y204 HydrophobicContact CD2-CD2 4.19Å; L195-Y204 HydrophobicContact CD2-CG 4.28Å; L195-Y204 VanDerWaalsContact O-CD2 3.3Å; L195-Y204 WeakPolarHBondContact O-CD2 3.33Å; N201-Y204 HydrophobicContact CB-CD2 3.8Å; N201-Y204 HydrophobicContact CB-CE2 3.96Å; N201-Y204 PolarHBondContact O-N 2.99Å; P202-Y204 PolarHBondContact O-N 3.48Å; Y204-A207 PolarHBondContact O-N 3.21Å; Y204-L208 WeakPolarHBondContact O-CB 3.11Å; Y204-L208 PolarHBondContact O-N 3.37Å; Y204-C310 HydrophobicContact CD1-CB 4.42Å; Y204-C310 VanDerWaalsContact CD1-SG 3.53Å; Y204-C310 HydrophobicContact CE1-CB 4.14Å; Y204-T311 WeakPolarHBondContact CE1-O 3.09Å; Y204-M312 HydrophobicContact CD1-CG 3.65Å; Y204-M312 HydrophobicContact CE1-CG 4.42Å; Y204-M312 HydrophobicContact CG-CG 4.11Å
205V96Very high95.8Very high13 Ų1353.5 Ų53.58%0.07930%0.295CS..Hα-helixtrans-54.9-49.2-174.2171.20000112.3L200 P202 A207 L208 L209 V275L200-V205 HydrophobicContact CD2-CG2 3.54Å; L200-V205 HydrophobicContact CG-CG2 4.25Å; P202-V205 WeakPolarHBondContact O-CB 3.39Å; P202-V205 PolarHBondContact O-N 3.32Å; V205-A207 PolarHBondContact O-N 3.42Å; V205-L208 PolarHBondContact O-N 3.24Å; V205-L209 HydrophobicContact CG1-CD1 3.87Å; V205-L209 HydrophobicContact CG1-CG 4.28Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.04Å; V205-V275 HydrophobicContact CG1-CG1 3.66Å; V205-V275 HydrophobicContact CG1-CG2 4.37Å; V205-V275 HydrophobicContact CG2-CG1 4.1Å; V205-V275 HydrophobicContact CG2-CG2 4.36Å
206P95.3Very high95.8Very high60 Ų6054.2 Ų54.239%0.3930%0.299SS..Hα-helixtrans-60-44.3179.8-24.735.9000112.9C203 E210 M308C203-P206 WeakPolarHBondContact O-CD 3.12Å; P206-E210 WeakPolarHBondContact O-CG 3.38Å; P206-E210 PolarHBondContact O-N 3.41Å; P206-M308 HydrophobicContact CB-CE 4.09Å; P206-M308 HydrophobicContact CB-SD 3.84Å
207A95.4Very high95.9Very high5 Ų554.1 Ų54.14%0.04130%0.296CS..Hα-helixtrans-67-40.2179.100000111.8Y204 V205 E210 M211 M308 M312Y204-A207 PolarHBondContact O-N 3.21Å; V205-A207 PolarHBondContact O-N 3.42Å; A207-E210 PolarHBondContact O-N 3.18Å; A207-M211 WeakPolarHBondContact O-CG 3.4Å; A207-M211 PolarHBondContact O-N 3.01Å; A207-M308 HydrophobicContact CB-CG 4.13Å; A207-M312 HydrophobicContact CB-CE 4.3Å; A207-M312 HydrophobicContact CB-CG 4.39Å
208L96.3Very high96.1Very high0 Ų046.9 Ų46.90%026%0.258CS..Hα-helixtrans-60.5-47.4177.8179.659000111.9L195 L200 Y204 V205 E210 M211 F212 M220 V275 I278 L284 M312L195-L208 HydrophobicContact CD1-CD1 4.48Å; L195-L208 HydrophobicContact CD1-CD2 4.28Å; L200-L208 HydrophobicContact CD2-CD2 4.29Å; Y204-L208 WeakPolarHBondContact O-CB 3.11Å; Y204-L208 PolarHBondContact O-N 3.37Å; V205-L208 PolarHBondContact O-N 3.24Å; L208-E210 VanDerWaalsContact C-N 3.3Å; L208-E210 PolarHBondContact O-N 3.22Å; L208-M211 WeakPolarHBondContact O-CB 3.39Å; L208-M211 PolarHBondContact O-N 2.75Å; L208-M211 VanDerWaalsContact O-N 3.15Å; L208-F212 HydrophobicContact CD1-CE2 4.28Å; L208-F212 HydrophobicContact CG-CE2 4.41Å; L208-F212 WeakPolarHBondContact O-CD2 3.49Å; L208-M220 HydrophobicContact CD1-SD 3.77Å; L208-V275 HydrophobicContact CD2-CG2 4.08Å; L208-I278 HydrophobicContact CD2-CD1 3.98Å; L208-L284 HydrophobicContact CD1-CD2 3.76Å; L208-M312 HydrophobicContact CB-CE 4.26Å; L208-M312 HydrophobicContact CB-SD 3.84Å; L208-M312 HydrophobicContact CD1-CE 4.32Å; L208-M312 HydrophobicContact CD1-SD 4.16Å
209L96.4Very high96.3Very high17 Ų1741.4 Ų41.49%0.08923%0.225CC..Hα-helixtrans-67.2-30.1179.2-61.6177.8000112.4V205 M211 F212 N234 E237 L239 V275V205-L209 HydrophobicContact CG1-CD1 3.87Å; V205-L209 HydrophobicContact CG1-CG 4.28Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.04Å; L209-M211 VanDerWaalsContact C-N 3.35Å; L209-F212 PolarHBondContact O-N 3.04Å; L209-N234 HydrophobicContact CD2-CB 3.81Å; L209-E237 HydrophobicContact CD1-CG 4.17Å; L209-L239 HydrophobicContact CD2-CD2 3.72Å; L209-V275 HydrophobicContact CD2-CG2 4.32Å
210E95.5Very high96.5Very high58 Ų5835.2 Ų35.227%0.27120%0.196SC..Hα-helixtrans-68.1-32.1172.4-71.2-63.213500112.5P206 A207 L208 F212 K213 L304 M308P206-E210 WeakPolarHBondContact O-CG 3.38Å; P206-E210 PolarHBondContact O-N 3.41Å; A207-E210 PolarHBondContact O-N 3.18Å; L208-E210 VanDerWaalsContact C-N 3.3Å; L208-E210 PolarHBondContact O-N 3.22Å; E210-F212 VanDerWaalsContact C-N 3.28Å; E210-F212 PolarHBondContact O-N 3.49Å; E210-K213 WeakPolarHBondContact O-CB 3.44Å; E210-K213 PolarHBondContact O-N 2.76Å; E210-K213 IonicContact OE1-NZ 2.67Å; E210-K213 PolarHBondContact OE1-NZ 3.48Å; E210-K213 IonicContact OE2-NZ 3.06Å; E210-L304 HydrophobicContact CB-CD1 3.78Å; E210-L304 HydrophobicContact CB-CD2 3.9Å; E210-L304 HydrophobicContact CG-CD1 3.79Å; E210-M308 HydrophobicContact CG-CE 3.66Å
211M96.5Very high96.7Very high4 Ų435 Ų352%0.0219%0.194CC..Hα-helixtrans-63.8-30.7176.6-66.5-64.982.600113.4A207 L208 L209 K213 C214 S217 L284 F286 V301 L304 M312 F313A207-M211 WeakPolarHBondContact O-CG 3.4Å; A207-M211 PolarHBondContact O-N 3.01Å; L208-M211 WeakPolarHBondContact O-CB 3.39Å; L208-M211 PolarHBondContact O-N 2.75Å; L208-M211 VanDerWaalsContact O-N 3.15Å; L209-M211 VanDerWaalsContact C-N 3.35Å; M211-K213 PolarHBondContact O-N 3.11Å; M211-C214 PolarHBondContact O-N 2.82Å; M211-S217 WeakPolarHBondContact O-CB 3.5Å; M211-S217 PolarHBondContact O-OG 3.15Å; M211-L284 HydrophobicContact CB-CD1 4.44Å; M211-L284 HydrophobicContact CG-CD1 4.06Å; M211-F286 HydrophobicContact CB-CZ 4.09Å; M211-F286 HydrophobicContact CG-CZ 4.35Å; M211-F286 HydrophobicContact SD-CZ 3.87Å; M211-V301 HydrophobicContact CE-CG2 4.46Å; M211-V301 HydrophobicContact SD-CG2 4.49Å; M211-L304 HydrophobicContact CE-CD2 3.18Å; M211-L304 HydrophobicContact SD-CD2 4.47Å; M211-M312 HydrophobicContact CG-CE 3.56Å; M211-F313 HydrophobicContact SD-CE1 3.92Å; M211-F313 HydrophobicContact SD-CZ 3.91Å
212F96.8Very high96.7Very high23 Ų2331.4 Ų31.410%0.10118%0.175CC..THydrogen-bonded Turntrans-67.6-19.8172.9-77.1-82.5000113.2L208 L209 E210 M220 F231 G233 N234 L239L208-F212 HydrophobicContact CD1-CE2 4.28Å; L208-F212 HydrophobicContact CG-CE2 4.41Å; L208-F212 WeakPolarHBondContact O-CD2 3.49Å; L209-F212 PolarHBondContact O-N 3.04Å; E210-F212 VanDerWaalsContact C-N 3.28Å; E210-F212 PolarHBondContact O-N 3.49Å; F212-M220 HydrophobicContact CE1-CB 4.47Å; F212-M220 HydrophobicContact CZ-CB 3.85Å; F212-F231 HydrophobicContact CE1-CB 4.12Å; F212-F231 HydrophobicContact CZ-CB 3.84Å; F212-G233 VanDerWaalsContact CD1-CA 3.5Å; F212-N234 WeakPolarHBondContact CB-OD1 3.36Å; F212-L239 HydrophobicContact CD2-CD2 4.45Å; F212-L239 HydrophobicContact CE2-CD2 3.89Å; F212-L239 HydrophobicContact CZ-CD2 4.28Å
213K95.3Very high96.7Very high127 Ų12727.4 Ų27.455%0.55215%0.151SC*.THydrogen-bonded Turntrans-86.6-13-179.7-56.8178-172.8174.70113.2E210 M211E210-K213 WeakPolarHBondContact O-CB 3.44Å; E210-K213 PolarHBondContact O-N 2.76Å; E210-K213 IonicContact OE1-NZ 2.67Å; E210-K213 PolarHBondContact OE1-NZ 3.48Å; E210-K213 IonicContact OE2-NZ 3.06Å; M211-K213 PolarHBondContact O-N 3.11Å
214C95.8Very high96.6Very high10 Ų1032.7 Ų32.77%0.06817%0.165CC..SBendtrans-60.1132.8175.7-67.30000110M211 N216 S217 F286M211-C214 PolarHBondContact O-N 2.82Å; C214-N216 PolarHBondContact O-N 3.41Å; C214-N216 VanDerWaalsContact O-N 3.07Å; C214-S217 WeakPolarHBondContact O-CB 3.33Å; C214-S217 PolarHBondContact O-N 2.81Å; C214-F286 HydrophobicContact CB-CD1 4.45Å; C214-F286 HydrophobicContact CB-CE1 4.11Å
215P96.3Very high96.4Very high108 Ų10833.7 Ų33.770%0.70118%0.178SC*.THydrogen-bonded Turntrans-55.6-29.6178-2735.2000113.7S217P215-S217 VanDerWaalsContact C-N 3.35Å
216N98Very high96.2Very high17 Ų1736.4 Ų36.49%0.09119%0.192CC..THydrogen-bonded Turntrans-84.8-4.7179.9-57.990.9000113.9C214 L218 F286 F287 F288 E293C214-N216 PolarHBondContact O-N 3.41Å; C214-N216 VanDerWaalsContact O-N 3.07Å; N216-L218 PolarHBondContact O-N 3.04Å; N216-F286 HydrophobicContact CB-CB 4.48Å; N216-F286 CarbonylContact O-C 3.53Å; N216-F286 VanDerWaalsContact O-CA 3.24Å; N216-F286 WeakPolarHBondContact O-CA 3.4Å; N216-F287 VanDerWaalsContact CB-O 3.3Å; N216-F287 WeakPolarHBondContact CB-O 3.31Å; N216-F287 PolarHBondContact ND2-O 3.4Å; N216-F287 PolarHBondContact O-N 2.98Å; N216-F288 HydrophobicContact CB-CD1 3.89Å; N216-F288 HydrophobicContact CB-CE1 3.53Å; N216-F288 HydrophobicContact CB-CZ 4.34Å; N216-F288 WeakPolarHBondContact ND2-CD1 3.49Å; N216-E293 PolarHBondContact ND2-OE2 2.94Å
217S98.4Very high96.2Very high16 Ų1639.5 Ų39.511%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-63.2126.6-175.9-169.70000111M211 C214 P215 G219M211-S217 WeakPolarHBondContact O-CB 3.5Å; M211-S217 PolarHBondContact O-OG 3.15Å; C214-S217 WeakPolarHBondContact O-CB 3.33Å; C214-S217 PolarHBondContact O-N 2.81Å; P215-S217 VanDerWaalsContact C-N 3.35Å; S217-G219 PolarHBondContact OG-N 2.74Å; S217-G219 VanDerWaalsContact OG-N 3.13Å
218L98.7Very high96.3Very high5 Ų539.3 Ų39.33%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-97.15.3163.6-60.9-179.2000111.1L69 Q72 A73 N76 L188 N216 Y230 A285 F287L69-L218 HydrophobicContact CD2-CD1 4.21Å; Q72-L218 HydrophobicContact CB-CD2 4.43Å; Q72-L218 HydrophobicContact CG-CD2 3.88Å; A73-L218 HydrophobicContact CB-CD1 3.67Å; N76-L218 VanDerWaalsContact ND2-CD2 3.28Å; N76-L218 WeakPolarHBondContact ND2-CD2 3.26Å; L188-L218 HydrophobicContact CD1-CD1 3.4Å; L188-L218 VanDerWaalsContact CD1-CD1 3.4Å; N216-L218 PolarHBondContact O-N 3.04Å; L218-Y230 WeakPolarHBondContact O-CE2 3.38Å; L218-Y230 VanDerWaalsContact O-CZ 3.26Å; L218-Y230 PolarHBondContact O-OH 3.32Å; L218-A285 HydrophobicContact CB-CB 3.91Å; L218-A285 HydrophobicContact CD1-CB 4.33Å; L218-A285 PolarHBondContact N-O 3.16Å; L218-F287 HydrophobicContact CD1-CB 3.93Å; L218-F287 HydrophobicContact CD2-CB 3.96Å; L218-F287 HydrophobicContact CG-CB 3.95Å
219G98.5Very high96.4Very high2 Ų240.2 Ų40.22%0.02121%0.205CC..EExtended strand (participates in β ladder)trans83.3-141.2-176.400000113.2S217 F231 A285S217-G219 PolarHBondContact OG-N 2.74Å; S217-G219 VanDerWaalsContact OG-N 3.13Å; G219-F231 CarbonylContact C-O 3.48Å; G219-F231 VanDerWaalsContact CA-O 3.29Å; G219-F231 WeakPolarHBondContact CA-O 3.32Å; G219-A285 PolarHBondContact O-N 2.83Å
220M98.6Very high96.5Very high0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-151138.8-167.4-174.4178.572.700112.5L208 F212 F231 L239 I278 V282 A283 L284L208-M220 HydrophobicContact CD1-SD 3.77Å; F212-M220 HydrophobicContact CE1-CB 4.47Å; F212-M220 HydrophobicContact CZ-CB 3.85Å; M220-F231 HydrophobicContact CB-CB 4.27Å; M220-F231 HydrophobicContact CE-CB 4.4Å; M220-F231 HydrophobicContact CE-CD2 3.53Å; M220-F231 HydrophobicContact CE-CE2 3.99Å; M220-F231 HydrophobicContact CE-CG 4.05Å; M220-F231 PolarHBondContact N-O 3.07Å; M220-F231 WeakPolarHBondContact O-CD2 3.47Å; M220-F231 PolarHBondContact O-N 2.76Å; M220-L239 HydrophobicContact CE-CD1 4.24Å; M220-I278 HydrophobicContact CE-CD1 3.88Å; M220-V282 HydrophobicContact CE-CB 4.31Å; M220-V282 HydrophobicContact CE-CG1 3.81Å; M220-V282 HydrophobicContact CG-CB 3.77Å; M220-V282 HydrophobicContact CG-CG1 4.3Å; M220-V282 HydrophobicContact CG-CG2 4.37Å; M220-V282 HydrophobicContact SD-CB 3.48Å; M220-V282 WeakPolarHBondContact SD-CB 3.28Å; M220-V282 HydrophobicContact SD-CG1 3.6Å; M220-V282 VanDerWaalsContact SD-CG1 3.6Å; M220-V282 HydrophobicContact SD-CG2 3.75Å; M220-A283 CarbonylContact C-O 3.53Å; M220-A283 VanDerWaalsContact CA-O 3.27Å; M220-A283 WeakPolarHBondContact CA-O 3.45Å; M220-A283 WeakPolarHBondContact CG-O 3.49Å; M220-L284 HydrophobicContact CB-CD2 3.94Å; M220-L284 HydrophobicContact CG-CD2 3.87Å; M220-L284 HydrophobicContact SD-CD2 3.83Å
221L98.7Very high96.7Very high1 Ų136.9 Ų36.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-89.5142.5164.8-54.5-179.8000109.7M62 C65 L69 P128 I131 Y230 V282 A283M62-L221 HydrophobicContact SD-CB 4.16Å; M62-L221 HydrophobicContact SD-CD1 4.4Å; C65-L221 HydrophobicContact CB-CD2 3.77Å; C65-L221 WeakPolarHBondContact O-CD2 3.36Å; L69-L221 HydrophobicContact CB-CD2 3.97Å; L69-L221 HydrophobicContact CD1-CD1 3.92Å; L69-L221 HydrophobicContact CD1-CD2 3.53Å; L69-L221 HydrophobicContact CD1-CG 3.44Å; L69-L221 VanDerWaalsContact CD1-CG 3.44Å; L69-L221 HydrophobicContact CG-CD2 4.46Å; P128-L221 HydrophobicContact CB-CB 4.44Å; I131-L221 HydrophobicContact CG2-CD1 3.69Å; L221-Y230 HydrophobicContact CD2-CD2 4Å; L221-V282 CarbonylContact O-C 3.47Å; L221-V282 WeakPolarHBondContact O-CA 3.31Å; L221-V282 WeakPolarHBondContact O-CB 3.43Å; L221-A283 HydrophobicContact CB-CB 4.38Å; L221-A283 PolarHBondContact N-O 2.93Å; L221-A283 PolarHBondContact O-N 3.29Å
222G97.9Very high96.8Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-172.6-172.1172.900000112.4A228 L229G222-A228 CarbonylContact O-C 3.57Å; G222-A228 VanDerWaalsContact O-CA 3.3Å; G222-A228 WeakPolarHBondContact O-CA 3.45Å; G222-L229 PolarHBondContact N-O 2.99Å; G222-L229 PolarHBondContact O-N 3.36Å
223G94.5Very high96.8Very high8 Ų837.8 Ų37.88%0.08220%0.197CC..EExtended strand (participates in β ladder)trans117.4167.2178.300000113.1H227G223-H227 WeakPolarHBondContact CA-O 3.2Å
224R93Very high96.7Very high153 Ų15333.6 Ų33.658%0.57718%0.181SC*.EExtended strand (participates in β ladder)trans-78.4164.5-179.3-63.3-178.4-169.9178.16.2110.1N226 H227 D279R224-N226 PolarHBondContact O-N 3.47Å; R224-H227 HydrophobicContact CB-CB 4.43Å; R224-H227 CarbonylContact O-C 3.57Å; R224-H227 WeakPolarHBondContact O-CA 3.49Å; R224-H227 PolarHBondContact O-N 3.15Å; R224-D279 HydrophobicContact CG-CB 4.07Å
225P91.9Very high96.5Very high80 Ų8034.9 Ų34.952%0.51919%0.185SC..THydrogen-bonded Turntrans-47.1129.2171-29.937000112.1W125 H227W125-P225 HydrophobicContact CD2-CB 4.25Å; W125-P225 HydrophobicContact CE3-CB 4.33Å; W125-P225 HydrophobicContact CE3-CG 4.42Å; W125-P225 HydrophobicContact CH2-CG 4.44Å; W125-P225 HydrophobicContact CZ3-CG 4.27Å; P225-H227 PolarHBondContact O-CD2 3.27Å; P225-H227 PolarHBondContact O-N 2.71Å
226N92.2Very high96.3Very high70 Ų7032.7 Ų32.737%0.37418%0.182SC..THydrogen-bonded Turntrans62.19.6-176-53.9-36.9000116.6G58 C61 W125 R224 H245G58-N226 PolarHBondContact O-OD1 2.81Å; C61-N226 VanDerWaalsContact SG-CA 3.56Å; W125-N226 VanDerWaalsContact NE1-N 3.13Å; R224-N226 PolarHBondContact O-N 3.47Å; N226-H245 PolarHBondContact O-NE2 3.4Å
227H95.2Very high96.1Very high126 Ų12638.1 Ų38.158%0.58321%0.207SC*.EExtended strand (participates in β ladder)trans-133.548.2178-67.6-79.3000111.2G223 R224 P225 H245G223-H227 WeakPolarHBondContact CA-O 3.2Å; R224-H227 HydrophobicContact CB-CB 4.43Å; R224-H227 CarbonylContact O-C 3.57Å; R224-H227 WeakPolarHBondContact O-CA 3.49Å; R224-H227 PolarHBondContact O-N 3.15Å; P225-H227 PolarHBondContact O-CD2 3.27Å; P225-H227 PolarHBondContact O-N 2.71Å; H227-H245 WeakPolarHBondContact CA-NE2 3.48Å
228A98.1Very high96Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-79.2140.3-179.700000111.7C61 M62 C65 G222 P244 H245C61-A228 HydrophobicContact CB-CB 4.08Å; M62-A228 HydrophobicContact CB-CB 3.91Å; M62-A228 HydrophobicContact CE-CB 3.59Å; M62-A228 HydrophobicContact SD-CB 4.13Å; C65-A228 PolarHBondContact SG-O 3.06Å; G222-A228 CarbonylContact O-C 3.57Å; G222-A228 VanDerWaalsContact O-CA 3.3Å; G222-A228 WeakPolarHBondContact O-CA 3.45Å; A228-P244 WeakPolarHBondContact O-CD 3.42Å; A228-P244 WeakPolarHBondContact O-CG 3.26Å; A228-H245 PolarHBondContact O-CE1 2.76Å
229L98.6Very high95.9Very high20 Ų2039.2 Ų39.211%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-130.2151.7179.1-60.7174.6000110.2G222 F231 Y241 D243 M273G222-L229 PolarHBondContact N-O 2.99Å; G222-L229 PolarHBondContact O-N 3.36Å; L229-F231 HydrophobicContact CB-CE1 4.35Å; L229-F231 HydrophobicContact CB-CE2 4.17Å; L229-F231 HydrophobicContact CB-CZ 3.97Å; L229-F231 HydrophobicContact CD1-CE1 4.26Å; L229-F231 HydrophobicContact CD1-CZ 4.13Å; L229-Y241 HydrophobicContact CB-CD2 4.33Å; L229-Y241 HydrophobicContact CB-CG 4.42Å; L229-Y241 HydrophobicContact CD1-CD1 4.23Å; L229-Y241 HydrophobicContact CD1-CD2 3.89Å; L229-Y241 HydrophobicContact CD1-CE1 4.26Å; L229-Y241 HydrophobicContact CD1-CE2 3.93Å; L229-Y241 HydrophobicContact CD1-CG 4.05Å; L229-Y241 HydrophobicContact CD2-CD2 3.73Å; L229-Y241 HydrophobicContact CD2-CE2 3.84Å; L229-Y241 HydrophobicContact CG-CD2 4.2Å; L229-Y241 HydrophobicContact CG-CE2 4.47Å; L229-D243 HydrophobicContact CD2-CB 4.03Å; L229-M273 HydrophobicContact CD1-SD 3.84Å
230Y98.8Very high95.8Very high3 Ų340 Ų401%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-103.5105.4170.3174.5-144.3000109.8M68 L69 L218 L221 I232 Y241 L242M68-Y230 HydrophobicContact CB-CD1 3.47Å; M68-Y230 VanDerWaalsContact CB-CD1 3.47Å; M68-Y230 HydrophobicContact CB-CE1 3.94Å; M68-Y230 HydrophobicContact CB-CG 4.26Å; M68-Y230 HydrophobicContact CG-CD1 4.47Å; M68-Y230 HydrophobicContact SD-CD1 4.32Å; L69-Y230 HydrophobicContact CB-CD2 4.37Å; L69-Y230 HydrophobicContact CB-CE2 3.99Å; L69-Y230 HydrophobicContact CD1-CE2 4.21Å; L69-Y230 HydrophobicContact CG-CE2 4.2Å; L218-Y230 WeakPolarHBondContact O-CE2 3.38Å; L218-Y230 VanDerWaalsContact O-CZ 3.26Å; L218-Y230 PolarHBondContact O-OH 3.32Å; L221-Y230 HydrophobicContact CD2-CD2 4Å; Y230-I232 HydrophobicContact CD1-CG2 3.67Å; Y230-I232 HydrophobicContact CD2-CG2 4.32Å; Y230-I232 HydrophobicContact CE1-CG2 3.44Å; Y230-I232 VanDerWaalsContact CE1-CG2 3.44Å; Y230-I232 HydrophobicContact CE2-CG2 4.1Å; Y230-I232 HydrophobicContact CG-CG2 4.11Å; Y230-Y241 CarbonylContact O-C 3.54Å; Y230-Y241 WeakPolarHBondContact O-CA 3.49Å; Y230-Y241 WeakPolarHBondContact O-CB 3.49Å; Y230-L242 HydrophobicContact CD1-CB 4.45Å; Y230-L242 HydrophobicContact CD1-CD1 4.04Å; Y230-L242 HydrophobicContact CD1-CG 4.47Å; Y230-L242 HydrophobicContact CE1-CD1 4.42Å; Y230-L242 PolarHBondContact N-O 2.9Å; Y230-L242 VanDerWaalsContact N-O 3.16Å; Y230-L242 PolarHBondContact O-N 3.23Å
231F98.6Very high95.8Very high2 Ų241.7 Ų41.71%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-82126178.4-55.7-81.2000110F212 G219 M220 L229 L239 L240 Y241 M273 I278F212-F231 HydrophobicContact CE1-CB 4.12Å; F212-F231 HydrophobicContact CZ-CB 3.84Å; G219-F231 CarbonylContact C-O 3.48Å; G219-F231 VanDerWaalsContact CA-O 3.29Å; G219-F231 WeakPolarHBondContact CA-O 3.32Å; M220-F231 HydrophobicContact CB-CB 4.27Å; M220-F231 HydrophobicContact CE-CB 4.4Å; M220-F231 HydrophobicContact CE-CD2 3.53Å; M220-F231 HydrophobicContact CE-CE2 3.99Å; M220-F231 HydrophobicContact CE-CG 4.05Å; M220-F231 PolarHBondContact N-O 3.07Å; M220-F231 WeakPolarHBondContact O-CD2 3.47Å; M220-F231 PolarHBondContact O-N 2.76Å; L229-F231 HydrophobicContact CB-CE1 4.35Å; L229-F231 HydrophobicContact CB-CE2 4.17Å; L229-F231 HydrophobicContact CB-CZ 3.97Å; L229-F231 HydrophobicContact CD1-CE1 4.26Å; L229-F231 HydrophobicContact CD1-CZ 4.13Å; F231-L239 HydrophobicContact CD1-CB 3.65Å; F231-L239 HydrophobicContact CD1-CD1 3.66Å; F231-L239 HydrophobicContact CD1-CG 4.32Å; F231-L239 HydrophobicContact CE1-CB 4.19Å; F231-L239 HydrophobicContact CE1-CD1 3.91Å; F231-L239 HydrophobicContact CG-CD1 4.11Å; F231-L240 CarbonylContact C-O 3.46Å; F231-L240 VanDerWaalsContact CA-O 3.32Å; F231-L240 WeakPolarHBondContact CA-O 3.47Å; F231-Y241 HydrophobicContact CD1-CD1 4.39Å; F231-Y241 HydrophobicContact CD1-CG 4.48Å; F231-Y241 HydrophobicContact CE1-CD1 4.22Å; F231-Y241 HydrophobicContact CE1-CG 4.47Å; F231-M273 HydrophobicContact CE1-CG 4.17Å; F231-M273 HydrophobicContact CE1-SD 3.7Å; F231-M273 HydrophobicContact CZ-SD 4.06Å; F231-I278 HydrophobicContact CE1-CG2 4.03Å; F231-I278 HydrophobicContact CE2-CG2 4.49Å; F231-I278 HydrophobicContact CZ-CB 4.49Å; F231-I278 HydrophobicContact CZ-CG2 3.78Å
232I98.1Very high95.8Very high32 Ų3241.7 Ų41.716%0.16422%0.222CC..EExtended strand (participates in β ladder)trans-114.8-8.1-169.857.2169.4000113.8I33 Y230 L240 L242I33-I232 HydrophobicContact CD1-CD1 4.43Å; I33-I232 HydrophobicContact CG1-CD1 3.86Å; Y230-I232 HydrophobicContact CD1-CG2 3.67Å; Y230-I232 HydrophobicContact CD2-CG2 4.32Å; Y230-I232 HydrophobicContact CE1-CG2 3.44Å; Y230-I232 VanDerWaalsContact CE1-CG2 3.44Å; Y230-I232 HydrophobicContact CE2-CG2 4.1Å; Y230-I232 HydrophobicContact CG-CG2 4.11Å; I232-L240 HydrophobicContact CG1-CB 4.03Å; I232-L240 PolarHBondContact N-O 2.89Å; I232-L242 HydrophobicContact CD1-CD2 4.27Å; I232-L242 HydrophobicContact CD1-CG 4.26Å; I232-L242 HydrophobicContact CG2-CD1 4.36Å; I232-L242 HydrophobicContact CG2-CG 4.22Å
233G96.7Very high95.8Very high13 Ų1343.7 Ų43.713%0.13423%0.233CC..EExtended strand (participates in β ladder)trans173.3-173-176.700000111.7F212 L239 L240F212-G233 VanDerWaalsContact CD1-CA 3.5Å; G233-L239 WeakPolarHBondContact O-CA 3.37Å; G233-L240 PolarHBondContact O-N 3.34Å
234N95.1Very high96Very high40 Ų4043.3 Ų43.321%0.21423%0.229CC..EExtended strand (participates in β ladder)trans-148.5158177.272.7-69.7000112.3L209 F212 G236 N238 L239L209-N234 HydrophobicContact CD2-CB 3.81Å; F212-N234 WeakPolarHBondContact CB-OD1 3.36Å; N234-G236 PolarHBondContact ND2-O 3.23Å; N234-G236 VanDerWaalsContact ND2-O 3.08Å; N234-N238 CarbonylContact C-O 3.43Å; N234-N238 WeakPolarHBondContact CA-O 3.3Å; N234-N238 VanDerWaalsContact CB-O 3.23Å; N234-N238 WeakPolarHBondContact CB-O 3.17Å; N234-L239 HydrophobicContact CB-CD2 3.95Å
235F91.6Very high96.3Very high36 Ų3638.6 Ų38.616%0.15821%0.213CC..EExtended strand (participates in β ladder)trans-135.4122.7164.963.5-86000108.9E237 N238 L240 H272F235-E237 PolarHBondContact O-N 3.26Å; F235-N238 HydrophobicContact CD1-CB 4.17Å; F235-N238 HydrophobicContact CD2-CB 4.17Å; F235-N238 HydrophobicContact CE1-CB 3.72Å; F235-N238 HydrophobicContact CE2-CB 3.72Å; F235-N238 HydrophobicContact CG-CB 4.38Å; F235-N238 HydrophobicContact CZ-CB 3.48Å; F235-N238 VanDerWaalsContact CZ-CB 3.48Å; F235-N238 PolarHBondContact N-O 2.81Å; F235-N238 PolarHBondContact O-N 3.48Å; F235-L240 HydrophobicContact CD1-CD1 4.29Å; F235-L240 HydrophobicContact CD1-CD2 3.81Å; F235-L240 HydrophobicContact CD1-CG 3.88Å; F235-L240 HydrophobicContact CE1-CD2 3.63Å; F235-L240 HydrophobicContact CE1-CG 4.11Å; F235-H272 HydrophobicContact CE1-CB 3.59Å; F235-H272 AromaticContact CE1-CG 3.87Å; F235-H272 HydrophobicContact CZ-CB 3.86Å; F235-H272 AromaticContact CZ-CD2 3.98Å; F235-H272 AromaticContact CZ-CG 3.59Å; F235-H272 AromaticContact CZ-ND1 3.73Å
236G91.4Very high96.5Very high62 Ų6239.1 Ų39.164%0.63921%0.211SC*.THydrogen-bonded Turntrans52.2-129-163.600000110.4N234N234-G236 PolarHBondContact ND2-O 3.23Å; N234-G236 VanDerWaalsContact ND2-O 3.08Å
237E94.7Very high96.8Very high131 Ų13137 Ų3761%0.61220%0.201SC*.THydrogen-bonded Turntrans-97.618.3175.8-61.4-169.2170.200113.7L209 F235 V275L209-E237 HydrophobicContact CD1-CG 4.17Å; F235-E237 PolarHBondContact O-N 3.26Å; E237-V275 HydrophobicContact CB-CG1 3.95Å; E237-V275 WeakPolarHBondContact O-CB 3.43Å; E237-V275 WeakPolarHBondContact O-CG1 3.05Å; E237-V275 PolarHBondContact O-N 3Å
238N95.1Very high97Very high44 Ų4432.7 Ų32.724%0.23518%0.181CC..EExtended strand (participates in β ladder)trans-99.6134.2170.2-71.4-86.1000110.2N234 F235 H272 M273N234-N238 CarbonylContact C-O 3.43Å; N234-N238 WeakPolarHBondContact CA-O 3.3Å; N234-N238 VanDerWaalsContact CB-O 3.23Å; N234-N238 WeakPolarHBondContact CB-O 3.17Å; F235-N238 HydrophobicContact CD1-CB 4.17Å; F235-N238 HydrophobicContact CD2-CB 4.17Å; F235-N238 HydrophobicContact CE1-CB 3.72Å; F235-N238 HydrophobicContact CE2-CB 3.72Å; F235-N238 HydrophobicContact CG-CB 4.38Å; F235-N238 HydrophobicContact CZ-CB 3.48Å; F235-N238 VanDerWaalsContact CZ-CB 3.48Å; F235-N238 PolarHBondContact N-O 2.81Å; F235-N238 PolarHBondContact O-N 3.48Å; N238-H272 PolarHBondContact OD1-ND1 2.94Å; N238-M273 CarbonylContact C-O 3.55Å; N238-M273 VanDerWaalsContact CA-O 3.31Å; N238-M273 WeakPolarHBondContact CA-O 3.44Å
239L97.2Very high96.9Very high0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-90.9135171.9-58.9179.8000109.9L209 F212 M220 F231 G233 N234 H272 M273 V275 I278L209-L239 HydrophobicContact CD2-CD2 3.72Å; F212-L239 HydrophobicContact CD2-CD2 4.45Å; F212-L239 HydrophobicContact CE2-CD2 3.89Å; F212-L239 HydrophobicContact CZ-CD2 4.28Å; M220-L239 HydrophobicContact CE-CD1 4.24Å; F231-L239 HydrophobicContact CD1-CB 3.65Å; F231-L239 HydrophobicContact CD1-CD1 3.66Å; F231-L239 HydrophobicContact CD1-CG 4.32Å; F231-L239 HydrophobicContact CE1-CB 4.19Å; F231-L239 HydrophobicContact CE1-CD1 3.91Å; F231-L239 HydrophobicContact CG-CD1 4.11Å; G233-L239 WeakPolarHBondContact O-CA 3.37Å; N234-L239 HydrophobicContact CB-CD2 3.95Å; L239-H272 CarbonylContact O-C 3.55Å; L239-H272 WeakPolarHBondContact O-CA 3.43Å; L239-H272 WeakPolarHBondContact O-CB 3.25Å; L239-M273 PolarHBondContact N-O 2.77Å; L239-M273 PolarHBondContact O-N 3.38Å; L239-V275 HydrophobicContact CD1-CB 4.47Å; L239-V275 HydrophobicContact CD1-CG2 4.15Å; L239-V275 HydrophobicContact CD2-CG2 4.28Å; L239-V275 HydrophobicContact CG-CB 4.15Å; L239-V275 HydrophobicContact CG-CG2 4.19Å; L239-I278 HydrophobicContact CD1-CD1 4.3Å; L239-I278 HydrophobicContact CD1-CG2 3.59Å
240L96.8Very high96.8Very high18 Ų1836.4 Ų36.49%0.09421%0.207CC..EExtended strand (participates in β ladder)trans-86.8138.2168.8-67168000109.1F231 I232 G233 F235 I270 L271 H272F231-L240 CarbonylContact C-O 3.46Å; F231-L240 VanDerWaalsContact CA-O 3.32Å; F231-L240 WeakPolarHBondContact CA-O 3.47Å; I232-L240 HydrophobicContact CG1-CB 4.03Å; I232-L240 PolarHBondContact N-O 2.89Å; G233-L240 PolarHBondContact O-N 3.34Å; F235-L240 HydrophobicContact CD1-CD1 4.29Å; F235-L240 HydrophobicContact CD1-CD2 3.81Å; F235-L240 HydrophobicContact CD1-CG 3.88Å; F235-L240 HydrophobicContact CE1-CD2 3.63Å; F235-L240 HydrophobicContact CE1-CG 4.11Å; L240-I270 HydrophobicContact CD2-CG2 3.76Å; L240-L271 WeakPolarHBondContact CA-O 3.12Å; L240-H272 HydrophobicContact CD2-CB 4.15Å
241Y98.2Very high96.5Very high36 Ų3637.4 Ų37.414%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-143.7161.3-179.262.6-96.5000114.3L229 Y230 F231 D243 L271 M273L229-Y241 HydrophobicContact CB-CD2 4.33Å; L229-Y241 HydrophobicContact CB-CG 4.42Å; L229-Y241 HydrophobicContact CD1-CD1 4.23Å; L229-Y241 HydrophobicContact CD1-CD2 3.89Å; L229-Y241 HydrophobicContact CD1-CE1 4.26Å; L229-Y241 HydrophobicContact CD1-CE2 3.93Å; L229-Y241 HydrophobicContact CD1-CG 4.05Å; L229-Y241 HydrophobicContact CD2-CD2 3.73Å; L229-Y241 HydrophobicContact CD2-CE2 3.84Å; L229-Y241 HydrophobicContact CG-CD2 4.2Å; L229-Y241 HydrophobicContact CG-CE2 4.47Å; Y230-Y241 CarbonylContact O-C 3.54Å; Y230-Y241 WeakPolarHBondContact O-CA 3.49Å; Y230-Y241 WeakPolarHBondContact O-CB 3.49Å; F231-Y241 HydrophobicContact CD1-CD1 4.39Å; F231-Y241 HydrophobicContact CD1-CG 4.48Å; F231-Y241 HydrophobicContact CE1-CD1 4.22Å; F231-Y241 HydrophobicContact CE1-CG 4.47Å; Y241-D243 HydrophobicContact CD2-CB 4.23Å; Y241-D243 HydrophobicContact CE2-CB 4.05Å; Y241-L271 HydrophobicContact CD2-CB 3.89Å; Y241-L271 HydrophobicContact CD2-CD1 4.29Å; Y241-L271 HydrophobicContact CE1-CB 4.15Å; Y241-L271 HydrophobicContact CE2-CB 3.46Å; Y241-L271 VanDerWaalsContact CE2-CB 3.46Å; Y241-L271 HydrophobicContact CE2-CD1 3.72Å; Y241-L271 HydrophobicContact CE2-CG 4.23Å; Y241-L271 HydrophobicContact CG-CB 4.39Å; Y241-L271 PolarHBondContact N-O 2.72Å; Y241-L271 VanDerWaalsContact N-O 3.11Å; Y241-M273 HydrophobicContact CD1-CG 4.04Å; Y241-M273 HydrophobicContact CD1-SD 4.33Å; Y241-M273 HydrophobicContact CE1-CB 3.93Å; Y241-M273 HydrophobicContact CE1-CG 3.79Å; Y241-M273 HydrophobicContact CE1-SD 4.09Å
242L98.4Very high96.2Very high2 Ų241 Ų411%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-104.2134.1165.6-59-178.3000109.5I33 K36 M68 Y230 I232 T267I33-L242 HydrophobicContact CG2-CD2 4.23Å; K36-L242 HydrophobicContact CB-CD1 3.72Å; K36-L242 HydrophobicContact CG-CD1 4.29Å; M68-L242 HydrophobicContact CE-CB 4.08Å; M68-L242 HydrophobicContact SD-CB 3.61Å; M68-L242 HydrophobicContact SD-CD1 3.84Å; M68-L242 HydrophobicContact SD-CG 4.39Å; Y230-L242 HydrophobicContact CD1-CB 4.45Å; Y230-L242 HydrophobicContact CD1-CD1 4.04Å; Y230-L242 HydrophobicContact CD1-CG 4.47Å; Y230-L242 HydrophobicContact CE1-CD1 4.42Å; Y230-L242 PolarHBondContact N-O 2.9Å; Y230-L242 VanDerWaalsContact N-O 3.16Å; Y230-L242 PolarHBondContact O-N 3.23Å; I232-L242 HydrophobicContact CD1-CD2 4.27Å; I232-L242 HydrophobicContact CD1-CG 4.26Å; I232-L242 HydrophobicContact CG2-CD1 4.36Å; I232-L242 HydrophobicContact CG2-CG 4.22Å; L242-T267 HydrophobicContact CD2-CG2 3.72Å
243D98.3Very high95.8Very high42 Ų4239.6 Ų39.623%0.22523%0.225CC..  trans-109.3119.1-173.1-171.3-29.4000110.8W38 L229 Y241 H245 L271W38-D243 PolarHBondContact NE1-O 3.27Å; L229-D243 HydrophobicContact CD2-CB 4.03Å; Y241-D243 HydrophobicContact CD2-CB 4.23Å; Y241-D243 HydrophobicContact CE2-CB 4.05Å; D243-H245 VanDerWaalsContact OD1-CB 3.26Å; D243-H245 WeakPolarHBondContact OD1-CB 3.33Å; D243-H245 IonicContact OD1-CE1 2.74Å; D243-H245 IonicContact OD1-CG 3.46Å; D243-H245 VanDerWaalsContact OD1-CG 3.28Å; D243-H245 PolarHBondContact OD1-N 3.03Å; D243-H245 IonicContact OD1-ND1 3.66Å; D243-H245 PolarHBondContact OD1-ND1 2.78Å; D243-H245 IonicContact OD2-ND1 2.76Å; D243-L271 HydrophobicContact CB-CD1 3.59Å
244P98.4Very high95.3Very high0 Ų042.5 Ų42.50%024%0.24CC..  trans-82.7-3.2-179.336.2-38.6000114.5T40 Y41 C61 R64 M68 A228 I246T40-P244 CarbonylContact C-O 3.55Å; T40-P244 VanDerWaalsContact CA-O 3.29Å; T40-P244 WeakPolarHBondContact CA-O 3.42Å; T40-P244 WeakPolarHBondContact CB-O 3.43Å; Y41-P244 PolarHBondContact N-O 3.43Å; C61-P244 HydrophobicContact CB-CG 3.75Å; R64-P244 HydrophobicContact CB-CB 3.64Å; R64-P244 HydrophobicContact CG-CB 4.29Å; M68-P244 HydrophobicContact CE-CB 4.34Å; A228-P244 WeakPolarHBondContact O-CD 3.42Å; A228-P244 WeakPolarHBondContact O-CG 3.26Å; P244-I246 PolarHBondContact O-N 2.63Å
245H98.2Very high94.5Very high53 Ų5342.9 Ų42.925%0.24524%0.244CC..  trans-78.722-164.1-59.195.5000115.6Y41 C61 N226 H227 A228 D243Y41-H245 HydrophobicContact CE2-CB 4.16Å; Y41-H245 AromaticContact CE2-CD2 3.72Å; Y41-H245 AromaticContact CZ-CD2 3.86Å; Y41-H245 PolarHBondContact OH-CD2 3.26Å; C61-H245 WeakPolarHBondContact CB-NE2 3.35Å; N226-H245 PolarHBondContact O-NE2 3.4Å; H227-H245 WeakPolarHBondContact CA-NE2 3.48Å; A228-H245 PolarHBondContact O-CE1 2.76Å; D243-H245 VanDerWaalsContact OD1-CB 3.26Å; D243-H245 WeakPolarHBondContact OD1-CB 3.33Å; D243-H245 IonicContact OD1-CE1 2.74Å; D243-H245 IonicContact OD1-CG 3.46Å; D243-H245 VanDerWaalsContact OD1-CG 3.28Å; D243-H245 PolarHBondContact OD1-N 3.03Å; D243-H245 IonicContact OD1-ND1 3.66Å; D243-H245 PolarHBondContact OD1-ND1 2.78Å; D243-H245 IonicContact OD2-ND1 2.76Å
246I97.5Very high93.6Very high92 Ų9249 Ų4947%0.47227%0.274SS..  trans-105.2123.4172.7-64.8174.3000109.3W38 T40 Y41 P244 Q248W38-I246 HydrophobicContact CH2-CD1 3.81Å; W38-I246 HydrophobicContact CZ2-CD1 3.97Å; T40-I246 WeakPolarHBondContact CB-O 3.42Å; T40-I246 PolarHBondContact OG1-O 3.1Å; Y41-I246 PolarHBondContact N-O 3.3Å; Y41-I246 VanDerWaalsContact O-O 3.06Å; P244-I246 PolarHBondContact O-N 2.63Å; I246-Q248 HydrophobicContact CG2-CG 4Å; I246-Q248 PolarHBondContact O-N 3.27Å
247C98.3Very high92.6Very high24 Ų2452.5 Ų52.516%0.16228%0.277CS..  trans-84.6110.8176.7-173.60000110.9Y41 R43 Q57Y41-C247 WeakPolarHBondContact O-CA 3.5Å; R43-C247 PolarHBondContact NH1-O 3.12Å; R43-C247 PolarHBondContact NH1-SG 3.33Å; R43-C247 VanDerWaalsContact NH1-SG 3.4Å; Q57-C247 HydrophobicContact CG-CB 4.28Å; Q57-C247 VanDerWaalsContact OE1-CB 3.3Å; Q57-C247 PolarHBondContact OE1-SG 3.26Å
248Q98.2Very high91.5Very high37 Ų3751.9 Ų51.917%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-106.1156.4177.9-57.5-170.790.800110.2T40 Y41 R42 R43 I246 S264T40-Q248 WeakPolarHBondContact OG1-CG 3.47Å; T40-Q248 PolarHBondContact OG1-NE2 3.05Å; Y41-Q248 PolarHBondContact O-N 3.32Å; R42-Q248 CarbonylContact C-O 3.5Å; R42-Q248 WeakPolarHBondContact CA-O 3.09Å; R43-Q248 PolarHBondContact N-O 2.84Å; I246-Q248 HydrophobicContact CG2-CG 4Å; I246-Q248 PolarHBondContact O-N 3.27Å; Q248-S264 PolarHBondContact NE2-O 3.3Å; Q248-S264 VanDerWaalsContact OE1-CB 3.28Å
249S97.4Very high90.7Very high55 Ų5557.2 Ų57.239%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-70.4149.2170.4-63.40000109.8R42 R43R42-S249 PolarHBondContact NH1-O 2.94Å; R43-S249 PolarHBondContact NE-OG 3.05Å; R43-S249 PolarHBondContact NH2-OG 2.85Å
250V95.8Very high90Very high43 Ų4359.3 Ų59.326%0.26131%0.31SS..  trans-57.7142.717067.60000110.5R43 N44 F45 D100R43-V250 PolarHBondContact O-N 3.36Å; N44-V250 HydrophobicContact CB-CG1 4.47Å; N44-V250 WeakPolarHBondContact O-CG1 3.45Å; F45-V250 HydrophobicContact CB-CB 4.37Å; F45-V250 HydrophobicContact CB-CG2 4.29Å; D100-V250 HydrophobicContact CB-CG2 3.93Å
251V92.4Very high89.7Confident24 Ų2462.3 Ų62.315%0.14533%0.326CS..  trans-111.2138.7170.6-179.60000108.1L253 D261 Y265V251-L253 HydrophobicContact CG1-CD2 4.06Å; V251-D261 HydrophobicContact CG1-CB 4.12Å; V251-D261 WeakPolarHBondContact CG1-O 3.09Å; V251-Y265 HydrophobicContact CB-CE2 4.19Å; V251-Y265 HydrophobicContact CG2-CE2 4.5Å
252D91.6Very high89.5Confident77 Ų7761.2 Ų61.241%0.41232%0.323SS..  trans-86.9113.9172.3-160.5-7.4000110.2Q99 K101 T254 V255Q99-D252 PolarHBondContact NE2-OD1 2.9Å; K101-D252 IonicContact NZ-OD1 2.7Å; K101-D252 PolarHBondContact NZ-OD1 3.45Å; K101-D252 IonicContact NZ-OD2 2.8Å; K101-D252 PolarHBondContact NZ-OD2 3.01Å; D252-T254 PolarHBondContact OD1-N 3.22Å; D252-T254 PolarHBondContact OD1-OG1 3.15Å; D252-T254 PolarHBondContact OD2-OG1 3.17Å; D252-V255 WeakPolarHBondContact O-CG1 3.47Å
253L91.5Very high89.3Confident2 Ų264.8 Ų64.81%0.0135%0.348CS..  trans-94.40175.9-48171000111.9L95 Q96 Q99 V251 V255 Y260 Y265L95-L253 HydrophobicContact CB-CD1 4.25Å; L95-L253 HydrophobicContact CD2-CD1 3.68Å; L95-L253 HydrophobicContact CD2-CD2 4.08Å; L95-L253 HydrophobicContact CG-CD1 3.57Å; Q96-L253 HydrophobicContact CG-CB 3.95Å; Q96-L253 PolarHBondContact NE2-O 2.88Å; Q99-L253 HydrophobicContact CB-CD1 4.26Å; Q99-L253 VanDerWaalsContact OE1-CA 3.3Å; V251-L253 HydrophobicContact CG1-CD2 4.06Å; L253-V255 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 2.76Å; L253-Y260 WeakPolarHBondContact O-CE1 3.36Å; L253-Y265 HydrophobicContact CD1-CE2 4.23Å; L253-Y265 HydrophobicContact CD2-CE2 4.04Å; L253-Y265 HydrophobicContact CG-CE2 4.49Å
254T85.3Confident89.2Confident74 Ų7463.5 Ų63.545%0.45434%0.342SS..  trans-8971.2169.964.40000109.3K101 D252K101-T254 PolarHBondContact NZ-OG1 2.96Å; D252-T254 PolarHBondContact OD1-N 3.22Å; D252-T254 PolarHBondContact OD1-OG1 3.15Å; D252-T254 PolarHBondContact OD2-OG1 3.17Å
255V78.8Confident89.1Confident49 Ų4963.5 Ų63.530%0.29734%0.342SS..  trans-107148-178.2-67.80000111.6D252 L253 Y260D252-V255 WeakPolarHBondContact O-CG1 3.47Å; L253-V255 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 2.76Å; V255-Y260 HydrophobicContact CG2-CD1 3.42Å; V255-Y260 VanDerWaalsContact CG2-CD1 3.42Å; V255-Y260 HydrophobicContact CG2-CE1 3.69Å; V255-Y260 HydrophobicContact CG2-CG 3.99Å
256E72.1Confident89.1Confident165 Ų16561.4 Ų61.477%0.77133%0.332SS*.G310 helixtrans-78.5150.5170.3-63-178.2176.800110.4D258E256-D258 PolarHBondContact O-N 2.82Å
257N71.4Confident89.1Confident135 Ų13557.9 Ų57.972%0.72232%0.315SS*.G310 helixtrans63.929.9174.2-50.1-55.1000116.2Q259N257-Q259 PolarHBondContact O-N 3.11Å
258D70.7Confident88.8Confident117 Ų11762.9 Ų62.963%0.62634%0.338SS*.G310 helixtrans5623.1174.9-56.5-34.7000114.7E256 Y260E256-D258 PolarHBondContact O-N 2.82Å; D258-Y260 VanDerWaalsContact CA-CE2 3.4Å; D258-Y260 HydrophobicContact CB-CD2 4.2Å; D258-Y260 HydrophobicContact CB-CE2 3.69Å; D258-Y260 WeakPolarHBondContact O-CD2 3.31Å; D258-Y260 PolarHBondContact O-N 3.46Å; D258-Y260 PolarHBondContact OD1-OH 3.47Å
259Q78.5Confident88.6Confident157 Ų15763 Ų6373%0.73435%0.345SS*.  trans-84.959.7177.6-66.2-167.6-8.200111.4N257N257-Q259 PolarHBondContact O-N 3.11Å
260Y82.6Confident88.3Confident44 Ų4460.9 Ų60.917%0.17333%0.329CS..  trans-73.8135.8-179.1-54.9-78.5000111.2Y92 L253 V255 D258Y92-Y260 AromaticContact CD1-CD1 3.95Å; Y92-Y260 HydrophobicContact CD1-CD1 3.95Å; Y92-Y260 AromaticContact CD1-CD2 3.53Å; Y92-Y260 HydrophobicContact CD1-CD2 3.53Å; Y92-Y260 HydrophobicContact CD1-CE1 4.48Å; Y92-Y260 HydrophobicContact CD1-CE2 4.08Å; Y92-Y260 AromaticContact CD1-CG 3.43Å; Y92-Y260 HydrophobicContact CD1-CG 3.43Å; Y92-Y260 VanDerWaalsContact CD1-CG 3.43Å; Y92-Y260 AromaticContact CD2-CD2 3.36Å; Y92-Y260 HydrophobicContact CD2-CD2 3.36Å; Y92-Y260 AromaticContact CD2-CE2 3.35Å; Y92-Y260 HydrophobicContact CD2-CE2 3.35Å; Y92-Y260 HydrophobicContact CD2-CG 4.17Å; Y92-Y260 HydrophobicContact CE1-CD1 4.37Å; Y92-Y260 AromaticContact CE1-CD2 3.5Å; Y92-Y260 HydrophobicContact CE1-CD2 3.5Å; Y92-Y260 VanDerWaalsContact CE1-CD2 3.5Å; Y92-Y260 HydrophobicContact CE1-CE2 4.41Å; Y92-Y260 AromaticContact CE1-CG 3.45Å; Y92-Y260 HydrophobicContact CE1-CG 3.45Å; Y92-Y260 VanDerWaalsContact CE1-CG 3.45Å; Y92-Y260 AromaticContact CE2-CD2 3.3Å; Y92-Y260 HydrophobicContact CE2-CD2 3.3Å; Y92-Y260 AromaticContact CE2-CE2 3.72Å; Y92-Y260 HydrophobicContact CE2-CE2 3.72Å; Y92-Y260 HydrophobicContact CE2-CG 4.16Å; Y92-Y260 HydrophobicContact CG-CD1 4.22Å; Y92-Y260 AromaticContact CG-CD2 3.46Å; Y92-Y260 HydrophobicContact CG-CD2 3.46Å; Y92-Y260 VanDerWaalsContact CG-CD2 3.46Å; Y92-Y260 HydrophobicContact CG-CE1 4.32Å; Y92-Y260 AromaticContact CG-CE2 3.54Å; Y92-Y260 HydrophobicContact CG-CE2 3.54Å; Y92-Y260 AromaticContact CG-CG 3.81Å; Y92-Y260 HydrophobicContact CG-CG 3.81Å; Y92-Y260 AromaticContact CG-CZ 3.99Å; Y92-Y260 AromaticContact CZ-CD2 3.35Å; Y92-Y260 AromaticContact CZ-CG 3.8Å; L253-Y260 WeakPolarHBondContact O-CE1 3.36Å; V255-Y260 HydrophobicContact CG2-CD1 3.42Å; V255-Y260 VanDerWaalsContact CG2-CD1 3.42Å; V255-Y260 HydrophobicContact CG2-CE1 3.69Å; V255-Y260 HydrophobicContact CG2-CG 3.99Å; D258-Y260 VanDerWaalsContact CA-CE2 3.4Å; D258-Y260 HydrophobicContact CB-CD2 4.2Å; D258-Y260 HydrophobicContact CB-CE2 3.69Å; D258-Y260 WeakPolarHBondContact O-CD2 3.31Å; D258-Y260 PolarHBondContact O-N 3.46Å; D258-Y260 PolarHBondContact OD1-OH 3.47Å
261D90.2Very high88.3Confident80 Ų8061.2 Ų61.243%0.42833%0.329SS..  trans-101.799.6164.4178.612.3000109.3V251 S263V251-D261 HydrophobicContact CG1-CB 4.12Å; V251-D261 WeakPolarHBondContact CG1-O 3.09Å; D261-S263 VanDerWaalsContact OD1-CB 3.32Å; D261-S263 WeakPolarHBondContact OD1-CB 3.46Å; D261-S263 PolarHBondContact OD1-N 2.73Å; D261-S263 VanDerWaalsContact OD1-N 3.13Å; D261-S263 PolarHBondContact OD1-OG 2.9Å
262D93.8Very high88.5Confident13 Ų1362.8 Ų62.87%0.0734%0.335CS..  trans-105.27.3176.665.6-8.5000113F85 H87 Y91 L95 S264 Y265F85-D262 WeakPolarHBondContact CE2-OD2 3.5Å; F85-D262 WeakPolarHBondContact CZ-OD2 3.38Å; H87-D262 IonicContact CD2-OD2 3.67Å; H87-D262 IonicContact NE2-OD1 3.85Å; H87-D262 IonicContact NE2-OD2 3.75Å; Y91-D262 HydrophobicContact CE1-CB 4.48Å; Y91-D262 WeakPolarHBondContact CE1-OD2 3.27Å; Y91-D262 WeakPolarHBondContact OH-CB 3.27Å; Y91-D262 PolarHBondContact OH-OD2 3.1Å; L95-D262 HydrophobicContact CD2-CB 3.79Å; D262-S264 PolarHBondContact O-N 3.43Å; D262-S264 VanDerWaalsContact O-N 3.08Å; D262-Y265 WeakPolarHBondContact O-CB 3.41Å; D262-Y265 PolarHBondContact O-N 3.23Å
263S93.8Very high88.7Confident78 Ų7860.4 Ų60.455%0.54532%0.321SS..G310 helixtrans-58.1-31.5-173.363.70000113.3D261 Y265D261-S263 VanDerWaalsContact OD1-CB 3.32Å; D261-S263 WeakPolarHBondContact OD1-CB 3.46Å; D261-S263 PolarHBondContact OD1-N 2.73Å; D261-S263 VanDerWaalsContact OD1-N 3.13Å; D261-S263 PolarHBondContact OD1-OG 2.9Å; S263-Y265 VanDerWaalsContact C-N 3.31Å; S263-Y265 PolarHBondContact O-N 2.72Å
264S96.5Very high88.9Confident14 Ų1462.3 Ų62.310%0.09833%0.334CS..G310 helixtrans-80.8-4.1177.8660000114.9R42 Q248 D262R42-S264 PolarHBondContact NH1-OG 2.75Å; R42-S264 PolarHBondContact NH2-O 2.98Å; R42-S264 PolarHBondContact NH2-OG 3.02Å; Q248-S264 PolarHBondContact NE2-O 3.3Å; Q248-S264 VanDerWaalsContact OE1-CB 3.28Å; D262-S264 PolarHBondContact O-N 3.43Å; D262-S264 VanDerWaalsContact O-N 3.08Å
265Y97.6Very high89.5Confident1 Ų158.9 Ų58.90%0.00431%0.313CS..G310 helixtrans-104.912.1-179.1-65.1-89.2000113.1T37 W38 F39 R42 L95 V251 L253 D262 S263T37-Y265 CarbonylContact C-O 3.53Å; T37-Y265 WeakPolarHBondContact CA-O 3.42Å; W38-Y265 PolarHBondContact N-O 3.47Å; W38-Y265 WeakPolarHBondContact O-CA 3.42Å; F39-Y265 AromaticContact CD1-CD1 3.64Å; F39-Y265 HydrophobicContact CD1-CD1 3.64Å; F39-Y265 AromaticContact CD1-CE1 3.75Å; F39-Y265 HydrophobicContact CD1-CE1 3.75Å; F39-Y265 AromaticContact CE1-CD1 3.59Å; F39-Y265 HydrophobicContact CE1-CD1 3.59Å; F39-Y265 AromaticContact CE1-CE1 3.77Å; F39-Y265 HydrophobicContact CE1-CE1 3.77Å; R42-Y265 VanDerWaalsContact NH2-CE1 3.27Å; L95-Y265 HydrophobicContact CD1-CD1 3.83Å; L95-Y265 HydrophobicContact CD1-CE1 4.41Å; L95-Y265 HydrophobicContact CD1-CG 3.88Å; L95-Y265 HydrophobicContact CD2-CD2 4.08Å; L95-Y265 HydrophobicContact CD2-CE2 4.49Å; L95-Y265 HydrophobicContact CD2-CG 4.22Å; L95-Y265 HydrophobicContact CG-CG 4.47Å; V251-Y265 HydrophobicContact CB-CE2 4.19Å; V251-Y265 HydrophobicContact CG2-CE2 4.5Å; L253-Y265 HydrophobicContact CD1-CE2 4.23Å; L253-Y265 HydrophobicContact CD2-CE2 4.04Å; L253-Y265 HydrophobicContact CG-CE2 4.49Å; D262-Y265 WeakPolarHBondContact O-CB 3.41Å; D262-Y265 PolarHBondContact O-N 3.23Å; S263-Y265 VanDerWaalsContact C-N 3.31Å; S263-Y265 PolarHBondContact O-N 2.72Å
266H97.6Very high90.3Very high9 Ų960.6 Ų60.64%0.04233%0.327CS..  trans-135.3147176.5-66.9-73.9000110.3Y34 K36 F85 Y91Y34-H266 HydrophobicContact CD2-CB 4.03Å; Y34-H266 HydrophobicContact CE2-CB 3.71Å; Y34-H266 PolarHBondContact O-ND1 2.84Å; K36-H266 PolarHBondContact O-ND1 2.63Å; F85-H266 AromaticContact CD2-CE1 3.45Å; F85-H266 VanDerWaalsContact CD2-CE1 3.45Å; F85-H266 WeakPolarHBondContact CD2-CE1 3.45Å; F85-H266 AromaticContact CD2-NE2 3.41Å; F85-H266 WeakPolarHBondContact CD2-NE2 3.34Å; F85-H266 AromaticContact CE2-CD2 3.67Å; F85-H266 AromaticContact CE2-CE1 3.74Å; F85-H266 AromaticContact CE2-NE2 3.17Å; F85-H266 WeakPolarHBondContact CE2-NE2 3.39Å; Y91-H266 AromaticContact CE2-NE2 3.95Å; Y91-H266 AromaticContact CZ-NE2 3.64Å; Y91-H266 PolarHBondContact OH-NE2 2.96Å
267T96.8Very high91.4Very high17 Ų1758.1 Ų58.110%0.10432%0.316CS..  trans-126.5143.1177.9-172.40000111.8I33 Y34 W38 L242 A269I33-T267 HydrophobicContact CG2-CG2 4.34Å; Y34-T267 WeakPolarHBondContact CA-O 3.39Å; W38-T267 HydrophobicContact CB-CG2 4.38Å; W38-T267 HydrophobicContact CD2-CG2 4.12Å; W38-T267 HydrophobicContact CG-CG2 4.07Å; L242-T267 HydrophobicContact CD2-CG2 3.72Å; T267-A269 WeakPolarHBondContact OG1-CB 3.38Å; T267-A269 PolarHBondContact OG1-N 3.16Å; T267-A269 VanDerWaalsContact OG1-N 3.1Å
268M93.1Very high92.6Very high129 Ų12952 Ų5264%0.63528%0.283SS*.  trans-95.3-4.9170.7-62.7-176.967.300112.2Y34Y34-M268 HydrophobicContact CD2-CG 3.82Å; Y34-M268 HydrophobicContact CE2-CG 4.12Å
269A92.9Very high93.8Very high39 Ų3947.6 Ų47.632%0.32226%0.259SS..  trans-74.9130.5-178.400000110.7T267 L271T267-A269 WeakPolarHBondContact OG1-CB 3.38Å; T267-A269 PolarHBondContact OG1-N 3.16Å; T267-A269 VanDerWaalsContact OG1-N 3.1Å; A269-L271 HydrophobicContact CB-CD2 4.28Å; A269-L271 HydrophobicContact CB-CG 4.17Å
270I91.9Very high94.7Very high12 Ų1240.1 Ų40.16%0.06222%0.224CC..  trans-104.782.4175.7-53.9-178.1000107.9L13 I17 F26 I29 S30 I33 L240L13-I270 WeakPolarHBondContact CD2-O 3.24Å; I17-I270 HydrophobicContact CD1-CB 4.23Å; I17-I270 HydrophobicContact CD1-CG2 3.66Å; F26-I270 HydrophobicContact CD2-CD1 4.3Å; F26-I270 HydrophobicContact CE2-CD1 3.65Å; F26-I270 HydrophobicContact CZ-CD1 4.06Å; I29-I270 HydrophobicContact CG2-CD1 4.43Å; S30-I270 WeakPolarHBondContact OG-CD1 3.2Å; I33-I270 HydrophobicContact CD1-CB 4.21Å; I33-I270 HydrophobicContact CD1-CG1 3.92Å; I33-I270 HydrophobicContact CD1-CG2 3.78Å; L240-I270 HydrophobicContact CD2-CG2 3.76Å
271L95.6Very high95.4Very high50 Ų5039.6 Ų39.626%0.26223%0.227SC..EExtended strand (participates in β ladder)trans-84.8142.8-176.7-56.2176.1000110.9L240 Y241 D243 A269L240-L271 WeakPolarHBondContact CA-O 3.12Å; Y241-L271 HydrophobicContact CD2-CB 3.89Å; Y241-L271 HydrophobicContact CD2-CD1 4.29Å; Y241-L271 HydrophobicContact CE1-CB 4.15Å; Y241-L271 HydrophobicContact CE2-CB 3.46Å; Y241-L271 VanDerWaalsContact CE2-CB 3.46Å; Y241-L271 HydrophobicContact CE2-CD1 3.72Å; Y241-L271 HydrophobicContact CE2-CG 4.23Å; Y241-L271 HydrophobicContact CG-CB 4.39Å; Y241-L271 PolarHBondContact N-O 2.72Å; Y241-L271 VanDerWaalsContact N-O 3.11Å; D243-L271 HydrophobicContact CB-CD1 3.59Å; A269-L271 HydrophobicContact CB-CD2 4.28Å; A269-L271 HydrophobicContact CB-CG 4.17Å
272H95.5Very high95.8Very high56 Ų5635.9 Ų35.926%0.25921%0.207SC..EExtended strand (participates in β ladder)trans-146.4158.4177.872.288.1000112.9F235 N238 L239 L240F235-H272 HydrophobicContact CE1-CB 3.59Å; F235-H272 AromaticContact CE1-CG 3.87Å; F235-H272 HydrophobicContact CZ-CB 3.86Å; F235-H272 AromaticContact CZ-CD2 3.98Å; F235-H272 AromaticContact CZ-CG 3.59Å; F235-H272 AromaticContact CZ-ND1 3.73Å; N238-H272 PolarHBondContact OD1-ND1 2.94Å; L239-H272 CarbonylContact O-C 3.55Å; L239-H272 WeakPolarHBondContact O-CA 3.43Å; L239-H272 WeakPolarHBondContact O-CB 3.25Å; L240-H272 HydrophobicContact CD2-CB 4.15Å
273M95.9Very high96.1Very high27 Ų2735.3 Ų35.313%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-149.5154.7172.664-175.6-66.700110.9L229 F231 N238 L239 Y241 V275 E277 I278L229-M273 HydrophobicContact CD1-SD 3.84Å; F231-M273 HydrophobicContact CE1-CG 4.17Å; F231-M273 HydrophobicContact CE1-SD 3.7Å; F231-M273 HydrophobicContact CZ-SD 4.06Å; N238-M273 CarbonylContact C-O 3.55Å; N238-M273 VanDerWaalsContact CA-O 3.31Å; N238-M273 WeakPolarHBondContact CA-O 3.44Å; L239-M273 PolarHBondContact N-O 2.77Å; L239-M273 PolarHBondContact O-N 3.38Å; Y241-M273 HydrophobicContact CD1-CG 4.04Å; Y241-M273 HydrophobicContact CD1-SD 4.33Å; Y241-M273 HydrophobicContact CE1-CB 3.93Å; Y241-M273 HydrophobicContact CE1-CG 3.79Å; Y241-M273 HydrophobicContact CE1-SD 4.09Å; M273-V275 PolarHBondContact O-N 3.32Å; M273-E277 HydrophobicContact CE-CB 3.41Å; M273-E277 VanDerWaalsContact CE-CB 3.41Å; M273-I278 HydrophobicContact CE-CG2 4.15Å; M273-I278 HydrophobicContact SD-CG2 4.33Å
274P97Very high96.3Very high43 Ų4331.7 Ų31.728%0.27918%0.179SC..EExtended strand (participates in β ladder)trans-58.3137.6171.5-23.735000111.7S276 E277P274-S276 PolarHBondContact O-N 3.18Å; P274-S276 VanDerWaalsContact O-N 3.14Å; P274-E277 HydrophobicContact CB-CG 4.26Å; P274-E277 HydrophobicContact CG-CG 4.42Å; P274-E277 PolarHBondContact O-N 3.23Å
275V96.9Very high96.4Very high2 Ų231 Ų311%0.01217%0.174CC..G310 helixtrans-58.9-26.7176.9680000112.4L200 V205 L208 L209 E237 L239 M273 E277 I278L200-V275 HydrophobicContact CD2-CG2 3.81Å; L200-V275 WeakPolarHBondContact CD2-O 3.2Å; V205-V275 HydrophobicContact CG1-CG1 3.66Å; V205-V275 HydrophobicContact CG1-CG2 4.37Å; V205-V275 HydrophobicContact CG2-CG1 4.1Å; V205-V275 HydrophobicContact CG2-CG2 4.36Å; L208-V275 HydrophobicContact CD2-CG2 4.08Å; L209-V275 HydrophobicContact CD2-CG2 4.32Å; E237-V275 HydrophobicContact CB-CG1 3.95Å; E237-V275 WeakPolarHBondContact O-CB 3.43Å; E237-V275 WeakPolarHBondContact O-CG1 3.05Å; E237-V275 PolarHBondContact O-N 3Å; L239-V275 HydrophobicContact CD1-CB 4.47Å; L239-V275 HydrophobicContact CD1-CG2 4.15Å; L239-V275 HydrophobicContact CD2-CG2 4.28Å; L239-V275 HydrophobicContact CG-CB 4.15Å; L239-V275 HydrophobicContact CG-CG2 4.19Å; M273-V275 PolarHBondContact O-N 3.32Å; V275-E277 PolarHBondContact O-N 2.88Å; V275-I278 WeakPolarHBondContact O-CG1 3.35Å
276S95.6Very high96.5Very high85 Ų8531 Ų3159%0.59417%0.174SC*.G310 helixtrans-68.7-16.9177.252.50000114.2P274P274-S276 PolarHBondContact O-N 3.18Å; P274-S276 VanDerWaalsContact O-N 3.14Å
277E95.6Very high96.5Very high112 Ų11230.9 Ų30.952%0.52317%0.174SC..G310 helixtrans-91.8-8.4-176.9-70.3-178.3-162.700113.8M273 P274 V275M273-E277 HydrophobicContact CE-CB 3.41Å; M273-E277 VanDerWaalsContact CE-CB 3.41Å; P274-E277 HydrophobicContact CB-CG 4.26Å; P274-E277 HydrophobicContact CG-CG 4.42Å; P274-E277 PolarHBondContact O-N 3.23Å; V275-E277 PolarHBondContact O-N 2.88Å
278I96.1Very high96.6Very high6 Ų630 Ų303%0.03117%0.169CC..SBendtrans-69.3150.8-178.274.7180000112.4L200 L208 M220 F231 L239 M273 V275 V282L200-I278 HydrophobicContact CB-CG1 4.19Å; L200-I278 HydrophobicContact CD2-CD1 3.92Å; L200-I278 HydrophobicContact CD2-CG1 4.09Å; L208-I278 HydrophobicContact CD2-CD1 3.98Å; M220-I278 HydrophobicContact CE-CD1 3.88Å; F231-I278 HydrophobicContact CE1-CG2 4.03Å; F231-I278 HydrophobicContact CE2-CG2 4.49Å; F231-I278 HydrophobicContact CZ-CB 4.49Å; F231-I278 HydrophobicContact CZ-CG2 3.78Å; L239-I278 HydrophobicContact CD1-CD1 4.3Å; L239-I278 HydrophobicContact CD1-CG2 3.59Å; M273-I278 HydrophobicContact CE-CG2 4.15Å; M273-I278 HydrophobicContact SD-CG2 4.33Å; V275-I278 WeakPolarHBondContact O-CG1 3.35Å; I278-V282 HydrophobicContact CD1-CG1 4.39Å
279D97Very high96.8Very high25 Ų2526 Ų2613%0.13416%0.156CC..  trans-65.5139.2165.7-167.2-83.9000109.9R194 R224 S281R194-D279 IonicContact NH1-OD1 3.39Å; R194-D279 PolarHBondContact NH1-OD1 2.82Å; R224-D279 HydrophobicContact CG-CB 4.07Å; D279-S281 PolarHBondContact O-N 3.42Å; D279-S281 WeakPolarHBondContact OD1-CB 3.41Å; D279-S281 PolarHBondContact OD1-N 2.86Å
280P97.4Very high97Very high0 Ų026.2 Ų26.20%016%0.155CC..SBendtrans-70.9-9.1179.222.8-28.9000114.4R194 L195 T198R194-P280 CarbonylContact C-O 3.6Å; R194-P280 WeakPolarHBondContact CA-O 3.29Å; L195-P280 PolarHBondContact N-O 2.98Å; T198-P280 WeakPolarHBondContact O-CD 3.14Å
281S97.9Very high97.2Very high34 Ų3429.4 Ų29.424%0.23817%0.17CC..EExtended strand (participates in β ladder)trans-82.4113169.5-165.70000109.9R194 D279R194-S281 VanDerWaalsContact NH1-CB 3.31Å; R194-S281 VanDerWaalsContact NH1-N 3.13Å; D279-S281 PolarHBondContact O-N 3.42Å; D279-S281 WeakPolarHBondContact OD1-CB 3.41Å; D279-S281 PolarHBondContact OD1-N 2.86Å
282V98.3Very high97.3Very high1 Ų132.4 Ų32.41%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-138.3166.1-178-59.50000111.3P192 L193 L195 M220 L221 I278P192-V282 CarbonylContact C-O 3.39Å; P192-V282 WeakPolarHBondContact CA-O 3.45Å; L193-V282 HydrophobicContact CB-CG2 3.98Å; L193-V282 PolarHBondContact N-O 3.18Å; L193-V282 PolarHBondContact O-N 3.06Å; L195-V282 HydrophobicContact CD1-CG2 3.77Å; L195-V282 HydrophobicContact CG-CG2 4.04Å; M220-V282 HydrophobicContact CE-CB 4.31Å; M220-V282 HydrophobicContact CE-CG1 3.81Å; M220-V282 HydrophobicContact CG-CB 3.77Å; M220-V282 HydrophobicContact CG-CG1 4.3Å; M220-V282 HydrophobicContact CG-CG2 4.37Å; M220-V282 HydrophobicContact SD-CB 3.48Å; M220-V282 WeakPolarHBondContact SD-CB 3.28Å; M220-V282 HydrophobicContact SD-CG1 3.6Å; M220-V282 VanDerWaalsContact SD-CG1 3.6Å; M220-V282 HydrophobicContact SD-CG2 3.75Å; L221-V282 CarbonylContact O-C 3.47Å; L221-V282 WeakPolarHBondContact O-CA 3.31Å; L221-V282 WeakPolarHBondContact O-CB 3.43Å; I278-V282 HydrophobicContact CD1-CG1 4.39Å
283A98.7Very high97.4Very high1 Ų132.9 Ų32.91%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-133115.3163.100000110P128 L191 M220 L221P128-A283 HydrophobicContact CB-CB 3.58Å; L191-A283 CarbonylContact O-C 3.56Å; L191-A283 VanDerWaalsContact O-CA 3.24Å; L191-A283 WeakPolarHBondContact O-CA 3.34Å; M220-A283 CarbonylContact C-O 3.53Å; M220-A283 VanDerWaalsContact CA-O 3.27Å; M220-A283 WeakPolarHBondContact CA-O 3.45Å; M220-A283 WeakPolarHBondContact CG-O 3.49Å; L221-A283 HydrophobicContact CB-CB 4.38Å; L221-A283 PolarHBondContact N-O 2.93Å; L221-A283 PolarHBondContact O-N 3.29Å
284L98.7Very high97.5Very high2 Ų231.7 Ų31.71%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-74.8147.8171.3-65.4177000109.7L190 L191 L193 L208 M211 M220 F286 M312 F313L190-L284 CarbonylContact C-O 3.55Å; L190-L284 WeakPolarHBondContact CA-O 3.28Å; L191-L284 HydrophobicContact CB-CB 4.37Å; L191-L284 HydrophobicContact CD1-CB 4.42Å; L191-L284 PolarHBondContact N-O 2.83Å; L191-L284 PolarHBondContact O-N 3.27Å; L193-L284 HydrophobicContact CD1-CD1 3.68Å; L193-L284 HydrophobicContact CD1-CG 4.02Å; L208-L284 HydrophobicContact CD1-CD2 3.76Å; M211-L284 HydrophobicContact CB-CD1 4.44Å; M211-L284 HydrophobicContact CG-CD1 4.06Å; M220-L284 HydrophobicContact CB-CD2 3.94Å; M220-L284 HydrophobicContact CG-CD2 3.87Å; M220-L284 HydrophobicContact SD-CD2 3.83Å; L284-F286 HydrophobicContact CB-CE2 3.94Å; L284-F286 HydrophobicContact CB-CZ 4.44Å; L284-M312 HydrophobicContact CD1-CE 3.82Å; L284-F313 HydrophobicContact CD1-CE1 4.16Å
285A98.9Very high97.6Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-136.5140.3178.400000113.2L69 L189 L190 L218 G219L69-A285 HydrophobicContact CD1-CB 3.57Å; L69-A285 HydrophobicContact CD2-CB 3.87Å; L69-A285 HydrophobicContact CG-CB 4Å; L189-A285 VanDerWaalsContact O-CA 3.29Å; L189-A285 WeakPolarHBondContact O-CA 3.45Å; L190-A285 HydrophobicContact CD2-CB 3.56Å; L218-A285 HydrophobicContact CB-CB 3.91Å; L218-A285 HydrophobicContact CD1-CB 4.33Å; L218-A285 PolarHBondContact N-O 3.16Å; G219-A285 PolarHBondContact O-N 2.83Å
286F98.8Very high97.6Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-136.7144.8178.9-55.8-85.8000110.8L189 L191 M211 C214 N216 L284 F288 F297L189-F286 HydrophobicContact CB-CB 4.49Å; L189-F286 HydrophobicContact CD2-CD2 4.5Å; L189-F286 PolarHBondContact N-O 2.93Å; L189-F286 PolarHBondContact O-N 2.87Å; L191-F286 HydrophobicContact CD1-CD2 3.72Å; L191-F286 HydrophobicContact CD1-CE2 3.74Å; M211-F286 HydrophobicContact CB-CZ 4.09Å; M211-F286 HydrophobicContact CG-CZ 4.35Å; M211-F286 HydrophobicContact SD-CZ 3.87Å; C214-F286 HydrophobicContact CB-CD1 4.45Å; C214-F286 HydrophobicContact CB-CE1 4.11Å; N216-F286 HydrophobicContact CB-CB 4.48Å; N216-F286 CarbonylContact O-C 3.53Å; N216-F286 VanDerWaalsContact O-CA 3.24Å; N216-F286 WeakPolarHBondContact O-CA 3.4Å; L284-F286 HydrophobicContact CB-CE2 3.94Å; L284-F286 HydrophobicContact CB-CZ 4.44Å; F286-F288 HydrophobicContact CB-CE1 4.22Å; F286-F288 HydrophobicContact CB-CE2 3.68Å; F286-F288 HydrophobicContact CB-CZ 3.42Å; F286-F288 VanDerWaalsContact CB-CZ 3.42Å; F286-F288 HydrophobicContact CG-CZ 4.23Å; F286-F297 HydrophobicContact CD1-CD2 4.14Å; F286-F297 AromaticContact CD1-CE2 3.58Å; F286-F297 HydrophobicContact CD1-CE2 3.58Å; F286-F297 HydrophobicContact CD1-CZ 4.19Å; F286-F297 HydrophobicContact CD2-CE2 4.04Å; F286-F297 AromaticContact CD2-CZ 3.79Å; F286-F297 HydrophobicContact CD2-CZ 3.79Å; F286-F297 HydrophobicContact CE1-CD2 4.35Å; F286-F297 AromaticContact CE1-CE2 3.5Å; F286-F297 HydrophobicContact CE1-CE2 3.5Å; F286-F297 VanDerWaalsContact CE1-CE2 3.5Å; F286-F297 HydrophobicContact CE1-CZ 4.16Å; F286-F297 AromaticContact CE2-CE2 3.96Å; F286-F297 HydrophobicContact CE2-CE2 3.96Å; F286-F297 AromaticContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CE2-CZ 3.75Å; F286-F297 AromaticContact CG-CE2 3.86Å; F286-F297 HydrophobicContact CG-CE2 3.86Å; F286-F297 HydrophobicContact CG-CZ 4.01Å; F286-F297 AromaticContact CZ-CE2 3.69Å; F286-F297 HydrophobicContact CZ-CE2 3.69Å; F286-F297 AromaticContact CZ-CZ 3.94Å; F286-F297 HydrophobicContact CZ-CZ 3.94Å
287F98.7Very high97.7Very high7 Ų733.6 Ų33.63%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-118.1131.7176178.5-100.5000111.4A73 N76 R77 M147 P186 L187 N216 L218 A289A73-F287 HydrophobicContact CB-CD2 4.24Å; N76-F287 HydrophobicContact CB-CD1 3.64Å; N76-F287 HydrophobicContact CB-CE1 3.94Å; N76-F287 HydrophobicContact CB-CG 4.26Å; R77-F287 HydrophobicContact CB-CE1 4.26Å; R77-F287 HydrophobicContact CB-CE2 4.05Å; R77-F287 HydrophobicContact CB-CZ 3.5Å; R77-F287 VanDerWaalsContact CB-CZ 3.5Å; R77-F287 HydrophobicContact CG-CZ 3.94Å; M147-F287 HydrophobicContact SD-CD2 4.16Å; M147-F287 HydrophobicContact SD-CE2 3.9Å; P186-F287 HydrophobicContact CB-CE2 3.92Å; P186-F287 HydrophobicContact CB-CZ 3.8Å; L187-F287 CarbonylContact O-C 3.55Å; L187-F287 WeakPolarHBondContact O-CA 3.33Å; N216-F287 VanDerWaalsContact CB-O 3.3Å; N216-F287 WeakPolarHBondContact CB-O 3.31Å; N216-F287 PolarHBondContact ND2-O 3.4Å; N216-F287 PolarHBondContact O-N 2.98Å; L218-F287 HydrophobicContact CD1-CB 3.93Å; L218-F287 HydrophobicContact CD2-CB 3.96Å; L218-F287 HydrophobicContact CG-CB 3.95Å; F287-A289 HydrophobicContact CE1-CB 4.05Å
288F98.4Very high97.8Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-125.9110.3179.9-48.4-76.2000109.9W184 P186 L187 L189 N216 F286 S290 E293 F294 F297W184-F288 HydrophobicContact CZ2-CB 4.22Å; W184-F288 PolarHBondContact NE1-O 2.97Å; P186-F288 CarbonylContact C-O 3.4Å; P186-F288 VanDerWaalsContact CA-O 3.26Å; P186-F288 WeakPolarHBondContact CA-O 3.1Å; L187-F288 HydrophobicContact CB-CB 4.31Å; L187-F288 HydrophobicContact CB-CD2 4.16Å; L187-F288 HydrophobicContact CD2-CD2 3.76Å; L187-F288 HydrophobicContact CD2-CE2 4.3Å; L187-F288 HydrophobicContact CG-CD2 4.02Å; L187-F288 PolarHBondContact N-O 3.16Å; L187-F288 PolarHBondContact O-N 3.11Å; L189-F288 HydrophobicContact CB-CD2 4.48Å; L189-F288 HydrophobicContact CB-CE2 3.78Å; L189-F288 HydrophobicContact CD2-CE2 3.99Å; L189-F288 HydrophobicContact CD2-CZ 4.43Å; N216-F288 HydrophobicContact CB-CD1 3.89Å; N216-F288 HydrophobicContact CB-CE1 3.53Å; N216-F288 HydrophobicContact CB-CZ 4.34Å; N216-F288 WeakPolarHBondContact ND2-CD1 3.49Å; F286-F288 HydrophobicContact CB-CE1 4.22Å; F286-F288 HydrophobicContact CB-CE2 3.68Å; F286-F288 HydrophobicContact CB-CZ 3.42Å; F286-F288 VanDerWaalsContact CB-CZ 3.42Å; F286-F288 HydrophobicContact CG-CZ 4.23Å; F288-S290 VanDerWaalsContact C-N 3.26Å; F288-S290 PolarHBondContact O-N 3.04Å; F288-E293 WeakPolarHBondContact CA-OE2 2.9Å; F288-E293 HydrophobicContact CB-CB 4.29Å; F288-E293 HydrophobicContact CD1-CB 4.15Å; F288-F294 HydrophobicContact CB-CB 4.15Å; F288-F294 HydrophobicContact CD1-CB 4.14Å; F288-F294 HydrophobicContact CD2-CB 4.36Å; F288-F294 AromaticContact CD2-CD2 3.99Å; F288-F294 HydrophobicContact CD2-CD2 3.99Å; F288-F294 AromaticContact CE2-CD2 3.83Å; F288-F294 HydrophobicContact CE2-CD2 3.83Å; F288-F294 HydrophobicContact CG-CB 3.94Å; F288-F294 HydrophobicContact CG-CD2 4.35Å; F288-F294 HydrophobicContact CZ-CD2 4.11Å; F288-F297 HydrophobicContact CD1-CB 4.34Å; F288-F297 HydrophobicContact CE1-CB 3.38Å; F288-F297 AromaticContact CE1-CD1 3.96Å; F288-F297 HydrophobicContact CE1-CD1 3.96Å; F288-F297 HydrophobicContact CE1-CD2 4.17Å; F288-F297 AromaticContact CE1-CG 3.57Å; F288-F297 HydrophobicContact CE1-CG 3.57Å; F288-F297 HydrophobicContact CZ-CB 3.9Å; F288-F297 AromaticContact CZ-CD1 3.52Å; F288-F297 HydrophobicContact CZ-CD1 3.52Å; F288-F297 HydrophobicContact CZ-CD2 4.12Å; F288-F297 HydrophobicContact CZ-CE1 4.02Å; F288-F297 AromaticContact CZ-CG 3.56Å; F288-F297 HydrophobicContact CZ-CG 3.56Å
289A96.9Very high97.9Very high45 Ų4532.5 Ų32.537%0.37218%0.181SC..SBendtrans-69.6-28.3176.700000111.7F287 E293F287-A289 HydrophobicContact CE1-CB 4.05Å; A289-E293 PolarHBondContact N-OE2 3.46Å
290S96.4Very high97.8Very high43 Ų4334.4 Ų34.430%0.30119%0.194SC..SBendtrans-135.4160.9-178.9710000112.5W184 F288 N292 E293 F294W184-S290 VanDerWaalsContact NE1-C 3.3Å; F288-S290 VanDerWaalsContact C-N 3.26Å; F288-S290 PolarHBondContact O-N 3.04Å; S290-N292 PolarHBondContact O-N 3.3Å; S290-E293 PolarHBondContact O-N 3.46Å; S290-E293 PolarHBondContact OG-N 3.4Å; S290-F294 PolarHBondContact O-N 3.18Å
291Q97Very high97.7Very high79 Ų7934.9 Ų34.937%0.36920%0.197SC..Hα-helixtrans-60.2-33.2172.5-171.6-179.3-1100112.1M163 W184 F294 N295M163-Q291 HydrophobicContact CE-CG 4.14Å; M163-Q291 HydrophobicContact SD-CG 4.27Å; W184-Q291 HydrophobicContact CD2-CB 3.78Å; W184-Q291 HydrophobicContact CE3-CB 3.59Å; W184-Q291 HydrophobicContact CE3-CG 3.86Å; W184-Q291 HydrophobicContact CG-CB 4.2Å; W184-Q291 HydrophobicContact CZ3-CB 4.06Å; W184-Q291 HydrophobicContact CZ3-CG 3.93Å; Q291-F294 WeakPolarHBondContact O-CB 3.41Å; Q291-F294 PolarHBondContact O-N 3.1Å; Q291-N295 VanDerWaalsContact O-CG 3.28Å; Q291-N295 PolarHBondContact O-N 2.74Å; Q291-N295 PolarHBondContact O-ND2 2.94Å
292N97.5Very high97.6Very high112 Ų11238.4 Ų38.460%0.59921%0.205SC*.Hα-helixtrans-64.1-43.4177.7-74.4-2.2000111.6S290 F294 N295 D296S290-N292 PolarHBondContact O-N 3.3Å; N292-F294 VanDerWaalsContact C-N 3.26Å; N292-F294 PolarHBondContact O-N 3.31Å; N292-N295 WeakPolarHBondContact O-CB 3.4Å; N292-N295 PolarHBondContact O-N 3.24Å; N292-N295 VanDerWaalsContact O-N 3.13Å; N292-D296 VanDerWaalsContact O-CG 3.3Å; N292-D296 PolarHBondContact O-N 3.49Å
293E98Very high97.5Very high66 Ų6641.4 Ų41.431%0.30823%0.226SC..Hα-helixtrans-60.4-38.2175.3-72.3175.4-159.500112N216 F288 A289 S290 F297N216-E293 PolarHBondContact ND2-OE2 2.94Å; F288-E293 WeakPolarHBondContact CA-OE2 2.9Å; F288-E293 HydrophobicContact CB-CB 4.29Å; F288-E293 HydrophobicContact CD1-CB 4.15Å; A289-E293 PolarHBondContact N-OE2 3.46Å; S290-E293 PolarHBondContact O-N 3.46Å; S290-E293 PolarHBondContact OG-N 3.4Å; E293-F297 WeakPolarHBondContact O-CB 3.45Å; E293-F297 PolarHBondContact O-N 2.85Å
294F98.1Very high97.2Very high2 Ų241.9 Ų41.91%0.00923%0.228CC..Hα-helixtrans-65.1-41.8174.6175.7-112.8000112.1I157 L159 V162 W184 L187 F288 S290 Q291 N292 F297 C298I157-F294 HydrophobicContact CG2-CZ 4.47Å; L159-F294 HydrophobicContact CD2-CE1 3.94Å; L159-F294 HydrophobicContact CD2-CZ 3.77Å; V162-F294 HydrophobicContact CB-CE1 4.26Å; V162-F294 HydrophobicContact CB-CE2 4.5Å; V162-F294 HydrophobicContact CB-CZ 3.86Å; V162-F294 HydrophobicContact CG1-CD1 4.34Å; V162-F294 HydrophobicContact CG1-CD2 4.33Å; V162-F294 HydrophobicContact CG1-CE1 3.78Å; V162-F294 HydrophobicContact CG1-CE2 3.78Å; V162-F294 HydrophobicContact CG1-CZ 3.47Å; V162-F294 VanDerWaalsContact CG1-CZ 3.47Å; V162-F294 HydrophobicContact CG2-CZ 4.12Å; W184-F294 HydrophobicContact CH2-CB 3.82Å; W184-F294 HydrophobicContact CH2-CD1 4.01Å; W184-F294 AromaticContact CH2-CG 3.96Å; W184-F294 HydrophobicContact CH2-CG 3.96Å; W184-F294 HydrophobicContact CZ2-CB 3.99Å; L187-F294 HydrophobicContact CD2-CD2 4.13Å; L187-F294 HydrophobicContact CD2-CE2 4.44Å; F288-F294 HydrophobicContact CB-CB 4.15Å; F288-F294 HydrophobicContact CD1-CB 4.14Å; F288-F294 HydrophobicContact CD2-CB 4.36Å; F288-F294 AromaticContact CD2-CD2 3.99Å; F288-F294 HydrophobicContact CD2-CD2 3.99Å; F288-F294 AromaticContact CE2-CD2 3.83Å; F288-F294 HydrophobicContact CE2-CD2 3.83Å; F288-F294 HydrophobicContact CG-CB 3.94Å; F288-F294 HydrophobicContact CG-CD2 4.35Å; F288-F294 HydrophobicContact CZ-CD2 4.11Å; S290-F294 PolarHBondContact O-N 3.18Å; Q291-F294 WeakPolarHBondContact O-CB 3.41Å; Q291-F294 PolarHBondContact O-N 3.1Å; N292-F294 VanDerWaalsContact C-N 3.26Å; N292-F294 PolarHBondContact O-N 3.31Å; F294-F297 PolarHBondContact O-N 2.96Å; F294-C298 PolarHBondContact O-N 3.47Å; F294-C298 PolarHBondContact O-SG 3.04Å
295N97.7Very high97Very high66 Ų6643.8 Ų43.835%0.35324%0.244SC..Hα-helixtrans-63.4-45.4175.7-66.9-27.5000111.8Q291 N292 F297 C298 D299Q291-N295 VanDerWaalsContact O-CG 3.28Å; Q291-N295 PolarHBondContact O-N 2.74Å; Q291-N295 PolarHBondContact O-ND2 2.94Å; N292-N295 WeakPolarHBondContact O-CB 3.4Å; N292-N295 PolarHBondContact O-N 3.24Å; N292-N295 VanDerWaalsContact O-N 3.13Å; N295-F297 VanDerWaalsContact C-N 3.28Å; N295-F297 PolarHBondContact O-N 3.45Å; N295-C298 WeakPolarHBondContact O-CB 3.2Å; N295-C298 PolarHBondContact O-N 3.13Å; N295-C298 VanDerWaalsContact O-N 3.08Å; N295-D299 PolarHBondContact O-N 3.42Å
296D97.9Very high96.7Very high102 Ų10248 Ų4855%0.54528%0.279SS..Hα-helixtrans-60.4-39.3177.6-69.3-18.5000111.5N292 D299 T300N292-D296 VanDerWaalsContact O-CG 3.3Å; N292-D296 PolarHBondContact O-N 3.49Å; D296-D299 PolarHBondContact O-N 3.39Å; D296-T300 WeakPolarHBondContact O-CB 3.4Å; D296-T300 PolarHBondContact O-N 3.43Å; D296-T300 PolarHBondContact O-OG1 2.8Å
297F98.1Very high96.4Very high3 Ų355.1 Ų55.11%0.01331%0.306CS..Hα-helixtrans-63.5-45.3171.8168.8-98000112.6I157 L189 F286 F288 E293 F294 N295 D299 T300 V301 F313I157-F297 HydrophobicContact CD1-CE1 4.13Å; L189-F297 HydrophobicContact CD2-CE1 4.14Å; F286-F297 HydrophobicContact CD1-CD2 4.14Å; F286-F297 AromaticContact CD1-CE2 3.58Å; F286-F297 HydrophobicContact CD1-CE2 3.58Å; F286-F297 HydrophobicContact CD1-CZ 4.19Å; F286-F297 HydrophobicContact CD2-CE2 4.04Å; F286-F297 AromaticContact CD2-CZ 3.79Å; F286-F297 HydrophobicContact CD2-CZ 3.79Å; F286-F297 HydrophobicContact CE1-CD2 4.35Å; F286-F297 AromaticContact CE1-CE2 3.5Å; F286-F297 HydrophobicContact CE1-CE2 3.5Å; F286-F297 VanDerWaalsContact CE1-CE2 3.5Å; F286-F297 HydrophobicContact CE1-CZ 4.16Å; F286-F297 AromaticContact CE2-CE2 3.96Å; F286-F297 HydrophobicContact CE2-CE2 3.96Å; F286-F297 AromaticContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CE2-CZ 3.75Å; F286-F297 AromaticContact CG-CE2 3.86Å; F286-F297 HydrophobicContact CG-CE2 3.86Å; F286-F297 HydrophobicContact CG-CZ 4.01Å; F286-F297 AromaticContact CZ-CE2 3.69Å; F286-F297 HydrophobicContact CZ-CE2 3.69Å; F286-F297 AromaticContact CZ-CZ 3.94Å; F286-F297 HydrophobicContact CZ-CZ 3.94Å; F288-F297 HydrophobicContact CD1-CB 4.34Å; F288-F297 HydrophobicContact CE1-CB 3.38Å; F288-F297 AromaticContact CE1-CD1 3.96Å; F288-F297 HydrophobicContact CE1-CD1 3.96Å; F288-F297 HydrophobicContact CE1-CD2 4.17Å; F288-F297 AromaticContact CE1-CG 3.57Å; F288-F297 HydrophobicContact CE1-CG 3.57Å; F288-F297 HydrophobicContact CZ-CB 3.9Å; F288-F297 AromaticContact CZ-CD1 3.52Å; F288-F297 HydrophobicContact CZ-CD1 3.52Å; F288-F297 HydrophobicContact CZ-CD2 4.12Å; F288-F297 HydrophobicContact CZ-CE1 4.02Å; F288-F297 AromaticContact CZ-CG 3.56Å; F288-F297 HydrophobicContact CZ-CG 3.56Å; E293-F297 WeakPolarHBondContact O-CB 3.45Å; E293-F297 PolarHBondContact O-N 2.85Å; F294-F297 PolarHBondContact O-N 2.96Å; N295-F297 VanDerWaalsContact C-N 3.28Å; N295-F297 PolarHBondContact O-N 3.45Å; F297-D299 VanDerWaalsContact C-N 3.25Å; F297-D299 PolarHBondContact O-N 3.28Å; F297-T300 WeakPolarHBondContact O-CB 3.22Å; F297-T300 PolarHBondContact O-N 2.78Å; F297-T300 VanDerWaalsContact O-N 3.14Å; F297-V301 HydrophobicContact CD1-CG2 4.3Å; F297-V301 HydrophobicContact CD2-CG2 4.13Å; F297-V301 HydrophobicContact CE1-CG2 3.83Å; F297-V301 HydrophobicContact CE2-CG2 3.63Å; F297-V301 HydrophobicContact CG-CG2 4.45Å; F297-V301 HydrophobicContact CZ-CG2 3.48Å; F297-V301 VanDerWaalsContact CZ-CG2 3.48Å; F297-V301 WeakPolarHBondContact O-CG2 3.33Å; F297-V301 PolarHBondContact O-N 3.34Å; F297-F313 HydrophobicContact CZ-CZ 4.32Å
298C98Very high96.1Very high3 Ų356.6 Ų56.62%0.0231%0.314CS..Hα-helixtrans-57.2-41.8176.7-66.70000111.6F294 N295 V301 R302 I315F294-C298 PolarHBondContact O-N 3.47Å; F294-C298 PolarHBondContact O-SG 3.04Å; N295-C298 WeakPolarHBondContact O-CB 3.2Å; N295-C298 PolarHBondContact O-N 3.13Å; N295-C298 VanDerWaalsContact O-N 3.08Å; C298-V301 PolarHBondContact O-N 3.42Å; C298-R302 WeakPolarHBondContact O-CG 3.37Å; C298-R302 PolarHBondContact O-N 3.47Å; C298-I315 HydrophobicContact CB-CD1 4.07Å
299D97Very high95.4Very high91 Ų9161.9 Ų61.949%0.48735%0.348SS..Hα-helixtrans-68.9-38.3178-70.6-16.8000112.1N295 D296 F297 V301 R302 S303N295-D299 PolarHBondContact O-N 3.42Å; D296-D299 PolarHBondContact O-N 3.39Å; F297-D299 VanDerWaalsContact C-N 3.25Å; F297-D299 PolarHBondContact O-N 3.28Å; D299-V301 PolarHBondContact O-N 2.7Å; D299-R302 PolarHBondContact O-N 3.22Å; D299-R302 IonicContact OD1-NH1 3.5Å; D299-R302 PolarHBondContact OD1-NH1 2.76Å; D299-S303 WeakPolarHBondContact O-CB 3.32Å; D299-S303 PolarHBondContact O-N 2.98Å
300T95.6Very high95Very high65 Ų6561 Ų6140%0.39934%0.339SS..Hα-helixtrans-59.3-46.7173.1-60.60000111.4D296 F297 S303 L304D296-T300 WeakPolarHBondContact O-CB 3.4Å; D296-T300 PolarHBondContact O-N 3.43Å; D296-T300 PolarHBondContact O-OG1 2.8Å; F297-T300 WeakPolarHBondContact O-CB 3.22Å; F297-T300 PolarHBondContact O-N 2.78Å; F297-T300 VanDerWaalsContact O-N 3.14Å; T300-S303 PolarHBondContact O-N 2.87Å; T300-L304 WeakPolarHBondContact O-CB 3.36Å; T300-L304 PolarHBondContact O-N 2.9Å
301V96.1Very high94.8Very high11 Ų1161.8 Ų61.87%0.06734%0.342CS..Hα-helixtrans-64.2-44.5178.7170.70000111.4M211 F297 C298 D299 S303 L304 A305 F313 I315M211-V301 HydrophobicContact CE-CG2 4.46Å; M211-V301 HydrophobicContact SD-CG2 4.49Å; F297-V301 HydrophobicContact CD1-CG2 4.3Å; F297-V301 HydrophobicContact CD2-CG2 4.13Å; F297-V301 HydrophobicContact CE1-CG2 3.83Å; F297-V301 HydrophobicContact CE2-CG2 3.63Å; F297-V301 HydrophobicContact CG-CG2 4.45Å; F297-V301 HydrophobicContact CZ-CG2 3.48Å; F297-V301 VanDerWaalsContact CZ-CG2 3.48Å; F297-V301 WeakPolarHBondContact O-CG2 3.33Å; F297-V301 PolarHBondContact O-N 3.34Å; C298-V301 PolarHBondContact O-N 3.42Å; D299-V301 PolarHBondContact O-N 2.7Å; V301-S303 VanDerWaalsContact C-N 3.34Å; V301-S303 PolarHBondContact O-N 3.5Å; V301-L304 WeakPolarHBondContact O-CB 3.17Å; V301-L304 PolarHBondContact O-N 2.78Å; V301-A305 WeakPolarHBondContact O-CB 3.37Å; V301-A305 PolarHBondContact O-N 2.97Å; V301-F313 HydrophobicContact CG1-CD2 4.47Å; V301-F313 HydrophobicContact CG1-CE2 3.62Å; V301-F313 HydrophobicContact CG1-CZ 3.94Å; V301-F313 HydrophobicContact CG2-CE2 4.12Å; V301-F313 HydrophobicContact CG2-CZ 3.93Å; V301-I315 HydrophobicContact CB-CD1 3.75Å; V301-I315 HydrophobicContact CG1-CD1 3.64Å; V301-I315 HydrophobicContact CG1-CG1 4.13Å; V301-I315 HydrophobicContact CG2-CD1 4.43Å
302R95.4Very high94.7Very high108 Ų10858.7 Ų58.741%0.40833%0.328SS..Hα-helixtrans-60.9-43.6176.7-71.8174.9-171125.91111.8C298 D299 L304 A305 A306C298-R302 WeakPolarHBondContact O-CG 3.37Å; C298-R302 PolarHBondContact O-N 3.47Å; D299-R302 PolarHBondContact O-N 3.22Å; D299-R302 IonicContact OD1-NH1 3.5Å; D299-R302 PolarHBondContact OD1-NH1 2.76Å; R302-L304 VanDerWaalsContact C-N 3.31Å; R302-L304 PolarHBondContact O-N 2.95Å; R302-A305 PolarHBondContact O-N 3.23Å; R302-A306 PolarHBondContact O-N 2.96Å; R302-A306 VanDerWaalsContact O-N 3.11Å
303S94.8Very high94.7Very high64 Ų6453.9 Ų53.945%0.44830%0.301SS..Hα-helixtrans-63.3-36.9175.4177.50000112.3D299 T300 V301 R307D299-S303 WeakPolarHBondContact O-CB 3.32Å; D299-S303 PolarHBondContact O-N 2.98Å; T300-S303 PolarHBondContact O-N 2.87Å; V301-S303 VanDerWaalsContact C-N 3.34Å; V301-S303 PolarHBondContact O-N 3.5Å; S303-R307 PolarHBondContact O-NE 2.96Å; S303-R307 VanDerWaalsContact O-NE 3.1Å
304L94Very high94.6Very high11 Ų1156.1 Ų56.16%0.05831%0.312CS..Hα-helixtrans-67.5-48.1174.7-175.867.1000111.8E210 M211 T300 V301 R302 A306 R307 M308E210-L304 HydrophobicContact CB-CD1 3.78Å; E210-L304 HydrophobicContact CB-CD2 3.9Å; E210-L304 HydrophobicContact CG-CD1 3.79Å; M211-L304 HydrophobicContact CE-CD2 3.18Å; M211-L304 HydrophobicContact SD-CD2 4.47Å; T300-L304 WeakPolarHBondContact O-CB 3.36Å; T300-L304 PolarHBondContact O-N 2.9Å; V301-L304 WeakPolarHBondContact O-CB 3.17Å; V301-L304 PolarHBondContact O-N 2.78Å; R302-L304 VanDerWaalsContact C-N 3.31Å; R302-L304 PolarHBondContact O-N 2.95Å; L304-A306 PolarHBondContact O-N 3.48Å; L304-R307 PolarHBondContact O-N 3.08Å; L304-M308 HydrophobicContact CD1-CE 3.36Å; L304-M308 HydrophobicContact CD1-CG 3.65Å; L304-M308 HydrophobicContact CD1-SD 4.35Å; L304-M308 HydrophobicContact CG-CE 4.48Å; L304-M308 HydrophobicContact CG-CG 3.86Å; L304-M308 VanDerWaalsContact O-CG 3.32Å; L304-M308 WeakPolarHBondContact O-CG 3.31Å; L304-M308 PolarHBondContact O-N 3.13Å
305A93Very high94.5Very high41 Ų4157.5 Ų57.534%0.33932%0.319SS..Hα-helixtrans-56-38.4178.600000112.1V301 R302 R307 T311V301-A305 WeakPolarHBondContact O-CB 3.37Å; V301-A305 PolarHBondContact O-N 2.97Å; R302-A305 PolarHBondContact O-N 3.23Å; A305-R307 VanDerWaalsContact C-N 3.25Å; A305-R307 PolarHBondContact O-N 3.42Å; A305-T311 HydrophobicContact CB-CG2 3.55Å
306A93.7Very high94.4Very high90 Ų9057.6 Ų57.674%0.74432%0.318SS*.THydrogen-bonded Turntrans-67.7-20.2177.200000114.5R302 L304R302-A306 PolarHBondContact O-N 2.96Å; R302-A306 VanDerWaalsContact O-N 3.11Å; L304-A306 PolarHBondContact O-N 3.48Å
307R92.7Very high94.4Very high149 Ų14958.4 Ų58.456%0.56232%0.321SS*.THydrogen-bonded Turntrans-106.5-16.4-176.5-66.7179.6-64.9109.5-4.6113.8S303 L304 A305S303-R307 PolarHBondContact O-NE 2.96Å; S303-R307 VanDerWaalsContact O-NE 3.1Å; L304-R307 PolarHBondContact O-N 3.08Å; A305-R307 VanDerWaalsContact C-N 3.25Å; A305-R307 PolarHBondContact O-N 3.42Å
308M90.9Very high94.2Very high38 Ų3861 Ų6119%0.18734%0.34CS..SBendtrans-94.9148.2-174.5-70.1-59.317700111.7P206 A207 E210 L304 C310P206-M308 HydrophobicContact CB-CE 4.09Å; P206-M308 HydrophobicContact CB-SD 3.84Å; A207-M308 HydrophobicContact CB-CG 4.13Å; E210-M308 HydrophobicContact CG-CE 3.66Å; L304-M308 HydrophobicContact CD1-CE 3.36Å; L304-M308 HydrophobicContact CD1-CG 3.65Å; L304-M308 HydrophobicContact CD1-SD 4.35Å; L304-M308 HydrophobicContact CG-CE 4.48Å; L304-M308 HydrophobicContact CG-CG 3.86Å; L304-M308 VanDerWaalsContact O-CG 3.32Å; L304-M308 WeakPolarHBondContact O-CG 3.31Å; L304-M308 PolarHBondContact O-N 3.13Å; M308-C310 PolarHBondContact O-N 2.74Å
309P84.1Confident94Very high110 Ų11064 Ų6471%0.71435%0.351SS*.SBendtrans-67.8-22.218027.9-35.4000113
310C89.4Confident93.9Very high28 Ų2861.7 Ų61.719%0.18934%0.341CS..SBendtrans-150.8149.6177.1580000110.6C203 Y204 M308C203-C310 VanDerWaalsContact CB-SG 3.55Å; C203-C310 PolarHBondContact O-SG 3.28Å; C203-C310 PolarHBondContact SG-SG 2.97Å; Y204-C310 HydrophobicContact CD1-CB 4.42Å; Y204-C310 VanDerWaalsContact CD1-SG 3.53Å; Y204-C310 HydrophobicContact CE1-CB 4.14Å; M308-C310 PolarHBondContact O-N 2.74Å
311T91.3Very high93.7Very high58 Ų5866.9 Ų66.936%0.35637%0.366SS..  trans-96.9140.5174.349.70000110.2Y204 A305Y204-T311 WeakPolarHBondContact CE1-O 3.09Å; A305-T311 HydrophobicContact CB-CG2 3.55Å
312M95.4Very high93.5Very high15 Ų1572.9 Ų72.97%0.07440%0.397CS..SBendtrans-82.4-28.1173-65.3-172.3-61.900112.2L193 L195 Y204 A207 L208 M211 L284L193-M312 HydrophobicContact CD1-CB 4.22Å; L195-M312 HydrophobicContact CD1-SD 3.94Å; L195-M312 HydrophobicContact CD2-CB 4.08Å; L195-M312 HydrophobicContact CD2-CG 3.91Å; L195-M312 HydrophobicContact CD2-SD 3.97Å; Y204-M312 HydrophobicContact CD1-CG 3.65Å; Y204-M312 HydrophobicContact CE1-CG 4.42Å; Y204-M312 HydrophobicContact CG-CG 4.11Å; A207-M312 HydrophobicContact CB-CE 4.3Å; A207-M312 HydrophobicContact CB-CG 4.39Å; L208-M312 HydrophobicContact CB-CE 4.26Å; L208-M312 HydrophobicContact CB-SD 3.84Å; L208-M312 HydrophobicContact CD1-CE 4.32Å; L208-M312 HydrophobicContact CD1-SD 4.16Å; M211-M312 HydrophobicContact CG-CE 3.56Å; L284-M312 HydrophobicContact CD1-CE 3.82Å
313F97Very high93.3Very high11 Ų1171.6 Ų71.65%0.04839%0.393CS..SBendtrans-155.4164.1178.561-89.3000109.6N155 I157 L191 L193 M211 L284 F297 V301N155-F313 HydrophobicContact CB-CB 4.26Å; N155-F313 CarbonylContact O-C 3.6Å; N155-F313 WeakPolarHBondContact O-CA 3.24Å; N155-F313 WeakPolarHBondContact O-CB 3.05Å; I157-F313 HydrophobicContact CD1-CD2 3.85Å; I157-F313 HydrophobicContact CD1-CE2 3.58Å; I157-F313 HydrophobicContact CG1-CD2 4.18Å; I157-F313 HydrophobicContact CG1-CE2 4.4Å; L191-F313 HydrophobicContact CD2-CB 4.45Å; L191-F313 HydrophobicContact CD2-CD1 4.33Å; L191-F313 HydrophobicContact CD2-CD2 3.98Å; L191-F313 HydrophobicContact CD2-CE2 4.28Å; L191-F313 HydrophobicContact CD2-CG 4.01Å; L193-F313 HydrophobicContact CD1-CD1 4.36Å; L193-F313 HydrophobicContact CD2-CB 4.25Å; M211-F313 HydrophobicContact SD-CE1 3.92Å; M211-F313 HydrophobicContact SD-CZ 3.91Å; L284-F313 HydrophobicContact CD1-CE1 4.16Å; F297-F313 HydrophobicContact CZ-CZ 4.32Å; V301-F313 HydrophobicContact CG1-CD2 4.47Å; V301-F313 HydrophobicContact CG1-CE2 3.62Å; V301-F313 HydrophobicContact CG1-CZ 3.94Å; V301-F313 HydrophobicContact CG2-CE2 4.12Å; V301-F313 HydrophobicContact CG2-CZ 3.93Å
314E95.5Very high93.1Very high112 Ų11273.2 Ų73.252%0.52340%0.401SS..EExtended strand (participates in β ladder)trans-116.4159.6-179.9-63.1-174.4-164.400111.7N155 I156 I157N155-E314 PolarHBondContact O-N 3.23Å; I156-E314 WeakPolarHBondContact CA-O 3.45Å; I156-E314 HydrophobicContact CG1-CB 4.49Å; I157-E314 PolarHBondContact N-O 3.14Å
315I97.2Very high92.9Very high32 Ų3277.7 Ų77.716%0.16443%0.432CS..EExtended strand (participates in β ladder)trans-116.4119.8172.4-61.5-179.7000108I157 L159 C298 V301I157-I315 HydrophobicContact CB-CG1 4.29Å; I157-I315 HydrophobicContact CD1-CG1 4.18Å; I157-I315 WeakPolarHBondContact O-CA 3.46Å; L159-I315 HydrophobicContact CD1-CG2 4.17Å; L159-I315 HydrophobicContact CD2-CG2 3.62Å; L159-I315 HydrophobicContact CG-CG2 3.85Å; C298-I315 HydrophobicContact CB-CD1 4.07Å; V301-I315 HydrophobicContact CB-CD1 3.75Å; V301-I315 HydrophobicContact CG1-CD1 3.64Å; V301-I315 HydrophobicContact CG1-CG1 4.13Å; V301-I315 HydrophobicContact CG2-CD1 4.43Å
316M96.4Very high92.8Very high68 Ų6876.8 Ų76.834%0.33542%0.42SS..EExtended strand (participates in β ladder)trans-118.7150.6175.7-66-174.57000109.9I156 I157 F158 L159I156-M316 HydrophobicContact CD1-SD 4.2Å; I156-M316 HydrophobicContact CG2-CB 4.02Å; I156-M316 HydrophobicContact CG2-CG 3.84Å; I156-M316 HydrophobicContact CG2-SD 3.95Å; I157-M316 PolarHBondContact O-N 3.41Å; F158-M316 CarbonylContact C-O 3.57Å; F158-M316 WeakPolarHBondContact CA-O 3.19Å; F158-M316 HydrophobicContact CD1-CB 3.82Å; F158-M316 HydrophobicContact CE1-CB 3.9Å; F158-M316 HydrophobicContact CE1-CG 4.43Å; F158-M316 HydrophobicContact CE1-SD 3.9Å; L159-M316 WeakPolarHBondContact CG-O 3.29Å; L159-M316 PolarHBondContact N-O 3.37Å
317I95.9Very high92.5Very high118 Ų11877.5 Ų77.561%0.60542%0.415SS*.SBendtrans-68.3-60.1179.2-62.6172.5000109.6L159 D160L159-I317 HydrophobicContact CD1-CG1 4.38Å; L159-I317 PolarHBondContact N-O 2.92Å; L159-I317 VanDerWaalsContact N-O 3.16Å; D160-I317 PolarHBondContact N-O 3.37Å
318S95.1Very high92Very high59 Ų5971.8 Ų71.841%0.41340%0.397SS..SBendtrans-125.2159-175.463.80000111.4F158 D160F158-S318 WeakPolarHBondContact CD1-O 3.2Å; D160-S318 VanDerWaalsContact OD2-CB 3.26Å; D160-S318 WeakPolarHBondContact OD2-CB 3.39Å
319R94.3Very high91.7Very high66 Ų6672 Ų7225%0.24940%0.396CS..  trans-63.3147.1169.9-68.6-178175.9-105-12.9110.7F158 D161F158-R319 HydrophobicContact CB-CG 4.36Å; F158-R319 HydrophobicContact CD1-CB 4.45Å; F158-R319 HydrophobicContact CD1-CG 3.93Å; F158-R319 HydrophobicContact CD2-CG 3.79Å; F158-R319 HydrophobicContact CE1-CB 4.42Å; F158-R319 HydrophobicContact CE1-CG 4.15Å; F158-R319 HydrophobicContact CE2-CG 4.01Å; F158-R319 HydrophobicContact CG-CG 3.74Å; F158-R319 HydrophobicContact CZ-CG 4.17Å; D161-R319 IonicContact OD1-NE 3.6Å; D161-R319 PolarHBondContact OD1-NE 2.82Å; D161-R319 IonicContact OD2-CZ 2.71Å; D161-R319 IonicContact OD2-NE 2.81Å; D161-R319 PolarHBondContact OD2-NE 3.45Å; D161-R319 IonicContact OD2-NH2 3.56Å; D161-R319 PolarHBondContact OD2-NH2 3.37Å
320P93.2Very high91.5Very high42 Ų4270.1 Ų70.127%0.27338%0.38SS..  trans-59.1143.1168.1-2334.3000111.6N322 W323P320-N322 VanDerWaalsContact CB-OD1 3.25Å; P320-N322 WeakPolarHBondContact CB-OD1 3.27Å; P320-N322 PolarHBondContact O-N 3.12Å; P320-W323 HydrophobicContact CB-CG 4.26Å; P320-W323 HydrophobicContact CG-CD2 4.38Å; P320-W323 HydrophobicContact CG-CG 4.23Å; P320-W323 WeakPolarHBondContact O-CB 3.47Å; P320-W323 PolarHBondContact O-N 3.01Å
321D91.3Very high90.8Very high174 Ų17469.2 Ų69.293%0.9338%0.376SS*.THydrogen-bonded Turntrans-58.6-23.9-176.6-64.3-29.4000114
322N92.9Very high89.4Confident136 Ų13670.5 Ų70.573%0.72738%0.38SS*.THydrogen-bonded Turntrans-87.4-1.217967.9-54.5000113.9P320P320-N322 VanDerWaalsContact CB-OD1 3.25Å; P320-N322 WeakPolarHBondContact CB-OD1 3.27Å; P320-N322 PolarHBondContact O-N 3.12Å
323W90.9Very high87.7Confident82 Ų8276.2 Ų76.231%0.31141%0.411SS..SBendtrans-91.4153.2175.3-76.235.6000110.6D154 I156 F158 P320D154-W323 HydrophobicContact CB-CH2 3.86Å; D154-W323 HydrophobicContact CB-CZ3 4.22Å; I156-W323 HydrophobicContact CD1-CH2 4.25Å; F158-W323 HydrophobicContact CE2-CE3 4.19Å; F158-W323 AromaticContact CE2-CZ3 3.87Å; F158-W323 HydrophobicContact CE2-CZ3 3.87Å; F158-W323 HydrophobicContact CZ-CE3 4.13Å; F158-W323 HydrophobicContact CZ-CH2 4.46Å; F158-W323 AromaticContact CZ-CZ3 3.9Å; F158-W323 HydrophobicContact CZ-CZ3 3.9Å; P320-W323 HydrophobicContact CB-CG 4.26Å; P320-W323 HydrophobicContact CG-CD2 4.38Å; P320-W323 HydrophobicContact CG-CG 4.23Å; P320-W323 WeakPolarHBondContact O-CB 3.47Å; P320-W323 PolarHBondContact O-N 3.01Å
324P90.7Very high85.7Confident97 Ų9776.9 Ų76.963%0.6342%0.415SS*.PPolyproline II helixtrans-55.9141.5171.8-23.633.9000111.4
325P89.8Confident83.3Confident106 Ų10674.9 Ų74.969%0.68842%0.418SS*.PPolyproline II helixtrans-62.8147.3177.327.9-34.8000110.3V327P325-V327 PolarHBondContact O-N 3.07Å
326F90.8Very high80.8Confident22 Ų2281.2 Ų81.210%0.09645%0.452CS..PPolyproline II helixtrans-69.3126.3172.7-178.1-116.3000110.7H150 D161 R164 T165 P328H150-F326 AromaticContact CE1-CE2 3.97Å; H150-F326 AromaticContact CE1-CZ 3.96Å; H150-F326 AromaticContact ND1-CZ 3.92Å; D161-F326 HydrophobicContact CB-CB 4.33Å; D161-F326 HydrophobicContact CB-CD1 3.67Å; D161-F326 HydrophobicContact CB-CD2 4.02Å; D161-F326 HydrophobicContact CB-CE1 3.9Å; D161-F326 HydrophobicContact CB-CE2 4.25Å; D161-F326 HydrophobicContact CB-CG 3.74Å; D161-F326 HydrophobicContact CB-CZ 4.2Å; D161-F326 VanDerWaalsContact CG-CB 3.48Å; D161-F326 VanDerWaalsContact O-CE1 3.31Å; D161-F326 WeakPolarHBondContact O-CE1 3.4Å; D161-F326 WeakPolarHBondContact OD1-CB 3.42Å; D161-F326 WeakPolarHBondContact OD1-CG 3.39Å; R164-F326 HydrophobicContact CB-CD1 4.45Å; R164-F326 HydrophobicContact CB-CE1 4.4Å; R164-F326 PolarHBondContact NH1-O 3.43Å; T165-F326 WeakPolarHBondContact OG1-CE1 3.32Å; T165-F326 VanDerWaalsContact OG1-CZ 3.23Å; T165-F326 WeakPolarHBondContact OG1-CZ 3.49Å; F326-P328 HydrophobicContact CD1-CG 4.18Å; F326-P328 HydrophobicContact CE1-CB 4.33Å; F326-P328 HydrophobicContact CE1-CG 3.72Å; F326-P328 HydrophobicContact CZ-CG 4.43Å
327V86.7Confident78.9Confident105 Ų10580.5 Ų80.564%0.63645%0.449SS*.  trans-117.9110.2172.3-175.20000107.1P325P325-V327 PolarHBondContact O-N 3.07Å
328P83.8Confident77Confident29 Ų2980.7 Ų80.719%0.18845%0.452CS..  trans-55.5143170.7-2231.7000110.2E168 F326E168-P328 WeakPolarHBondContact OE2-CG 3.38Å; F326-P328 HydrophobicContact CD1-CG 4.18Å; F326-P328 HydrophobicContact CE1-CB 4.33Å; F326-P328 HydrophobicContact CE1-CG 3.72Å; F326-P328 HydrophobicContact CZ-CG 4.43Å
329Y84.6Confident75.2Confident43 Ų4380.3 Ų80.317%0.16945%0.445CS..  trans-77.5127.5173.6-179-101.8000108.5K137 V140K137-Y329 HydrophobicContact CB-CD1 4.48Å; K137-Y329 HydrophobicContact CB-CE1 3.87Å; K137-Y329 HydrophobicContact CD-CE2 4.49Å; K137-Y329 HydrophobicContact CG-CD1 4.1Å; K137-Y329 HydrophobicContact CG-CE1 3.71Å; K137-Y329 HydrophobicContact CG-CE2 4.19Å; V140-Y329 HydrophobicContact CG2-CD1 3.63Å; V140-Y329 HydrophobicContact CG2-CE1 3.93Å
330D78.5Confident73.6Confident69 Ų6977.5 Ų77.537%0.36944%0.435SS..  trans-111.6-8.4-172.854.311000114.1S170 D332S170-D330 WeakPolarHBondContact OG-CB 3.3Å; S170-D330 PolarHBondContact OG-O 3.17Å; D330-D332 PolarHBondContact OD1-N 3.42Å
331G74.9Confident71.8Confident10 Ų1081.5 Ų81.510%0.10345%0.45CS..SBendtrans101.5-7.1174.700000115.4D333G331-D333 VanDerWaalsContact C-N 3.3Å; G331-D333 PolarHBondContact O-N 3.03Å
332D63.4Low70.3Confident84 Ų8476.5 Ų76.545%0.44943%0.425SS..G310 helixtrans-72.5-16.3-165.3-77.1-9.4000114.8N172 D330 L334N172-D332 PolarHBondContact ND2-OD1 2.93Å; D330-D332 PolarHBondContact OD1-N 3.42Å; D332-L334 PolarHBondContact O-N 3.02Å; D332-L334 VanDerWaalsContact O-N 3.1Å
333D59.1Low68.5Low136 Ų13671.3 Ų71.373%0.72740%0.397SS*.G310 helixtrans-66.4-13.1-179.4-72.5-31.9000113.8G331G331-D333 VanDerWaalsContact C-N 3.3Å; G331-D333 PolarHBondContact O-N 3.03Å
334L55.3Low66.1Low24 Ų2475 Ų7513%0.12642%0.423CS..G310 helixtrans-121.26.3-171.4-66.8171.9000115.7M114 T117 D332 N336 D337 F340M114-L334 HydrophobicContact CE-CD1 3.45Å; M114-L334 VanDerWaalsContact CE-CD1 3.45Å; M114-L334 HydrophobicContact SD-CD1 3.55Å; M114-L334 VanDerWaalsContact SD-CD1 3.55Å; T117-L334 HydrophobicContact CG2-CD1 4.17Å; T117-L334 HydrophobicContact CG2-CD2 3.68Å; T117-L334 HydrophobicContact CG2-CG 4.45Å; D332-L334 PolarHBondContact O-N 3.02Å; D332-L334 VanDerWaalsContact O-N 3.1Å; L334-N336 PolarHBondContact O-N 3.28Å; L334-D337 PolarHBondContact O-N 2.61Å; L334-D337 VanDerWaalsContact O-N 3.11Å; L334-F340 HydrophobicContact CD1-CD2 4.48Å; L334-F340 HydrophobicContact CD1-CE2 4.2Å; L334-F340 HydrophobicContact CD1-CZ 4.47Å
335A45.2Very low64.8Low70 Ų7073.9 Ų73.958%0.57941%0.412SS*.THydrogen-bonded Turntrans-62.85.7-178.200000115.5
336N44.5Very low63.5Low166 Ų16672.2 Ų72.289%0.88840%0.398SS*.THydrogen-bonded Turntrans-115.57.4177.1-65.6-47.2000113.8L334L334-N336 PolarHBondContact O-N 3.28Å
337D55.7Low62Low52 Ų5274.9 Ų74.928%0.27842%0.415SS..  trans-110.4105.8177.4-159-9.6000110.1K113 L334 D339 F340K113-D337 WeakPolarHBondContact CE-OD2 3.37Å; K113-D337 IonicContact NZ-OD2 3.28Å; K113-D337 PolarHBondContact NZ-OD2 3.18Å; L334-D337 PolarHBondContact O-N 2.61Å; L334-D337 VanDerWaalsContact O-N 3.11Å; D337-D339 PolarHBondContact O-N 3.06Å; D337-F340 HydrophobicContact CB-CD2 4.21Å; D337-F340 PolarHBondContact O-N 3.3Å; D337-F340 VanDerWaalsContact O-N 3.1Å
338D56.8Low60.6Low122 Ų12273.2 Ų73.265%0.65240%0.402SS*.Hα-helixtrans-50.1-24.2-176.3-69.4-16.4000113.1F340 E341D338-F340 VanDerWaalsContact C-N 3.31Å; D338-F340 PolarHBondContact O-N 3.03Å; D338-E341 PolarHBondContact O-N 3.5Å
339D57.6Low59.1Low51 Ų5175.9 Ų75.927%0.27342%0.415SS..Hα-helixtrans-68.7-23.3-177.8-82.8-25.5000114.1Q110 D337Q110-D339 PolarHBondContact NE2-O 3.19Å; D337-D339 PolarHBondContact O-N 3.06Å
340F61.1Low57.4Low8 Ų878.1 Ų78.14%0.03543%0.431CS..Hα-helixtrans-95.5-19.3177.1-65.3-78.3000113.2Q110 K113 M114 L138 L334 D337 D338 V342 L343Q110-F340 VanDerWaalsContact OE1-CD1 3.27Å; K113-F340 HydrophobicContact CB-CZ 4.43Å; K113-F340 HydrophobicContact CG-CE2 4.08Å; K113-F340 HydrophobicContact CG-CZ 3.93Å; M114-F340 HydrophobicContact CB-CZ 4.35Å; M114-F340 HydrophobicContact CE-CD1 4.25Å; M114-F340 HydrophobicContact CE-CE1 3.55Å; M114-F340 HydrophobicContact CE-CZ 3.74Å; L138-F340 HydrophobicContact CD2-CE1 4.04Å; L334-F340 HydrophobicContact CD1-CD2 4.48Å; L334-F340 HydrophobicContact CD1-CE2 4.2Å; L334-F340 HydrophobicContact CD1-CZ 4.47Å; D337-F340 HydrophobicContact CB-CD2 4.21Å; D337-F340 PolarHBondContact O-N 3.3Å; D337-F340 VanDerWaalsContact O-N 3.1Å; D338-F340 VanDerWaalsContact C-N 3.31Å; D338-F340 PolarHBondContact O-N 3.03Å; F340-V342 PolarHBondContact O-N 3.18Å; F340-L343 HydrophobicContact CD1-CD1 3.9Å; F340-L343 WeakPolarHBondContact O-CB 3.44Å; F340-L343 PolarHBondContact O-N 3.5Å; F340-L343 VanDerWaalsContact O-N 3.12Å
341E54.3Low55.9Low126 Ų12678.8 Ų78.859%0.58944%0.436SS*.Hα-helixtrans-61.7-25.5171.2-68.2-16415900111.9D338 L343 N344D338-E341 PolarHBondContact O-N 3.5Å; E341-L343 PolarHBondContact O-N 3.17Å; E341-N344 PolarHBondContact O-N 3.45Å
342V59Low54.5Low68 Ų6884.1 Ų84.141%0.41246%0.461SS..THydrogen-bonded Turntrans-70.7-10.2178-170.90000112.9N103 F340N103-V342 HydrophobicContact CB-CG1 4.27Å; F340-V342 PolarHBondContact O-N 3.18Å
343L55.3Low53.7Low28 Ų2884.1 Ų84.115%0.14746%0.462CS..THydrogen-bonded Turntrans-87.3-12.5-179.4-62.2-177.3000114C105 Q110 H141 F340 E341C105-L343 HydrophobicContact CB-CD2 4.49Å; Q110-L343 HydrophobicContact CG-CD1 4.3Å; Q110-L343 HydrophobicContact CG-CD2 4.21Å; H141-L343 HydrophobicContact CB-CB 4.31Å; H141-L343 HydrophobicContact CB-CD1 4.11Å; F340-L343 HydrophobicContact CD1-CD1 3.9Å; F340-L343 WeakPolarHBondContact O-CB 3.44Å; F340-L343 PolarHBondContact O-N 3.5Å; F340-L343 VanDerWaalsContact O-N 3.12Å; E341-L343 PolarHBondContact O-N 3.17Å
344N40.8Very low53.2Low158 Ų15879.4 Ų79.485%0.84544%0.438SS*.  trans-93.50173-61.5-28.2000110.8E341E341-N344 PolarHBondContact O-N 3.45Å

Retrieved 344 of 344 residues in 1013.4 ms (Link to these results)

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