A0A3Q0KC46_SCHMA Loading...

LRRCT domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KC46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 886 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
1M56.9Low69.3Low205 Ų205140.7 Ų140.7100%1.0165%0.646SS**  0-540-74.7-57.4-167.900111.4Y3 N4 Y5M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; M1-N4 PolarHBondContact O-N 3.18Å; M1-Y5 PolarHBondContact O-N 3.45Å
2D63.1Low70.5Confident122 Ų122137 Ų13765%0.65264%0.635SS**Hα-helixtrans-58.5-31.5-164.5-51.1-76.7000116.1N4 Y5 R6D2-N4 PolarHBondContact O-N 3.31Å; D2-Y5 PolarHBondContact O-N 3.5Å; D2-Y5 VanDerWaalsContact O-N 3.13Å; D2-R6 PolarHBondContact O-N 2.9Å
3Y63.4Low71.7Confident188 Ų188134.7 Ų134.774%0.73763%0.63SS**Hα-helixtrans-60.1-47.5178.3-163.3-88.5000111.9M1 Y5 R6 Q7M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 2.94Å; Y3-R6 PolarHBondContact O-N 3.37Å; Y3-Q7 WeakPolarHBondContact O-CB 3.32Å; Y3-Q7 PolarHBondContact O-N 3.19Å
4N66.2Low72.6Confident117 Ų117135.1 Ų135.163%0.62663%0.628SS**Hα-helixtrans-64.4-34174.8-73.83000111.7M1 D2 K8M1-N4 PolarHBondContact O-N 3.18Å; D2-N4 PolarHBondContact O-N 3.31Å; N4-K8 VanDerWaalsContact O-CB 3.32Å; N4-K8 WeakPolarHBondContact O-CB 3.35Å; N4-K8 PolarHBondContact O-N 3.43Å
5Y67.8Low73.5Confident193 Ų193132.9 Ų132.976%0.75762%0.623SS**Hα-helixtrans-70.2-42.8179.4-139.4-83.8000111.7M1 D2 Y3 S9M1-Y5 PolarHBondContact O-N 3.45Å; D2-Y5 PolarHBondContact O-N 3.5Å; D2-Y5 VanDerWaalsContact O-N 3.13Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 2.94Å; Y5-S9 VanDerWaalsContact O-CB 3.31Å; Y5-S9 WeakPolarHBondContact O-CB 3.43Å; Y5-S9 PolarHBondContact O-N 2.91Å
6R67Low74.4Confident186 Ų186130.9 Ų130.970%0.70262%0.617SS**Hα-helixtrans-63.3-46.5171.1-74.5-171.4176.3-167.4-0.9111.5D2 Y3 K8 S9 H10D2-R6 PolarHBondContact O-N 2.9Å; Y3-R6 PolarHBondContact O-N 3.37Å; R6-K8 PolarHBondContact O-N 3.47Å; R6-S9 WeakPolarHBondContact O-CB 3.46Å; R6-S9 PolarHBondContact O-N 3.32Å; R6-S9 VanDerWaalsContact O-N 3.15Å; R6-H10 PolarHBondContact O-CD2 3.3Å; R6-H10 PolarHBondContact O-N 3.08Å
7Q70.3Confident75.3Confident95 Ų95130.8 Ų130.844%0.44461%0.613SS.*Hα-helixtrans-60.2-44.1179.3-171.21732.900111.9Y3 H10 Q11Y3-Q7 WeakPolarHBondContact O-CB 3.32Å; Y3-Q7 PolarHBondContact O-N 3.19Å; Q7-H10 PolarHBondContact O-N 3.01Å; Q7-Q11 WeakPolarHBondContact O-CG 3.3Å; Q7-Q11 PolarHBondContact O-N 3.04Å
8K71.8Confident76Confident134 Ų134128.8 Ų128.858%0.58360%0.603SS**Hα-helixtrans-67.6-34.7175.1-165.2171.9-174177.70112.5N4 R6 Q11 N12N4-K8 VanDerWaalsContact O-CB 3.32Å; N4-K8 WeakPolarHBondContact O-CB 3.35Å; N4-K8 PolarHBondContact O-N 3.43Å; R6-K8 PolarHBondContact O-N 3.47Å; K8-Q11 PolarHBondContact O-N 2.85Å; K8-N12 WeakPolarHBondContact O-CB 3.48Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.12Å; K8-N12 PolarHBondContact O-OD1 3.3Å
9S77.9Confident76.5Confident72 Ų72126.7 Ų126.750%0.50360%0.599SS.*Hα-helixtrans-64.6-43.4172.9-168.40000112.2Y5 R6 N12 L13Y5-S9 VanDerWaalsContact O-CB 3.31Å; Y5-S9 WeakPolarHBondContact O-CB 3.43Å; Y5-S9 PolarHBondContact O-N 2.91Å; R6-S9 WeakPolarHBondContact O-CB 3.46Å; R6-S9 PolarHBondContact O-N 3.32Å; R6-S9 VanDerWaalsContact O-N 3.15Å; S9-N12 PolarHBondContact O-N 3.24Å; S9-L13 WeakPolarHBondContact O-CB 3.28Å; S9-L13 PolarHBondContact O-N 3.5Å
10H78.5Confident76.9Confident127 Ų127124.3 Ų124.359%0.58859%0.589SS**Hα-helixtrans-65.3-39.3174.2-74.6-66.6000112.4R6 Q7 L13 F14R6-H10 PolarHBondContact O-CD2 3.3Å; R6-H10 PolarHBondContact O-N 3.08Å; Q7-H10 PolarHBondContact O-N 3.01Å; H10-L13 PolarHBondContact O-N 2.87Å; H10-F14 VanDerWaalsContact O-CB 3.3Å; H10-F14 WeakPolarHBondContact O-CB 3.48Å; H10-F14 PolarHBondContact O-N 3.03Å
11Q78.9Confident77.2Confident109 Ų109122.6 Ų122.651%0.50958%0.584SS.*Hα-helixtrans-61.7-46.4172.2-75.5175.3-31.700111.7Q7 K8 L13 F14 L15Q7-Q11 WeakPolarHBondContact O-CG 3.3Å; Q7-Q11 PolarHBondContact O-N 3.04Å; K8-Q11 PolarHBondContact O-N 2.85Å; Q11-L13 PolarHBondContact O-N 2.81Å; Q11-F14 PolarHBondContact O-N 3.49Å; Q11-L15 WeakPolarHBondContact O-CB 3.41Å; Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.41Å; Q11-L15 PolarHBondContact O-N 2.88Å
12N83.6Confident78.2Confident96 Ų96117.6 Ų117.651%0.51356%0.558SS.*Hα-helixtrans-62.4-40.6176.7-73.70.3000112.1K8 S9 L15 L16K8-N12 WeakPolarHBondContact O-CB 3.48Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 3.12Å; K8-N12 PolarHBondContact O-OD1 3.3Å; S9-N12 PolarHBondContact O-N 3.24Å; N12-L15 PolarHBondContact O-N 3.16Å; N12-L16 WeakPolarHBondContact O-CB 3.41Å; N12-L16 PolarHBondContact O-N 3.42Å
13L86Confident78.7Confident107 Ų107114.3 Ų114.356%0.5654%0.544SS*.Hα-helixtrans-68.8-37.9177.2-174.664.7000112S9 H10 Q11 L16 F17S9-L13 WeakPolarHBondContact O-CB 3.28Å; S9-L13 PolarHBondContact O-N 3.5Å; H10-L13 PolarHBondContact O-N 2.87Å; Q11-L13 PolarHBondContact O-N 2.81Å; L13-L16 HydrophobicContact CD1-CD2 4.44Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-F17 WeakPolarHBondContact O-CB 3.4Å; L13-F17 PolarHBondContact O-N 3.46Å
14F85.1Confident79.2Confident140 Ų140109.1 Ų109.161%0.61453%0.529SS*.Hα-helixtrans-67.1-41.3174.5-172.2-92.2000111.6H10 Q11 F17 F18H10-F14 VanDerWaalsContact O-CB 3.3Å; H10-F14 WeakPolarHBondContact O-CB 3.48Å; H10-F14 PolarHBondContact O-N 3.03Å; Q11-F14 PolarHBondContact O-N 3.49Å; F14-F17 PolarHBondContact O-N 3.29Å; F14-F18 VanDerWaalsContact O-CB 3.26Å; F14-F18 WeakPolarHBondContact O-CB 3.25Å; F14-F18 PolarHBondContact O-N 3.19Å
15L85.5Confident79.5Confident103 Ų103110.3 Ų110.354%0.53953%0.528SS..Hα-helixtrans-62.5-43.2172.1-73.3169.3000111.6Q11 N12 F18 V19Q11-L15 WeakPolarHBondContact O-CB 3.41Å; Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.41Å; Q11-L15 PolarHBondContact O-N 2.88Å; N12-L15 PolarHBondContact O-N 3.16Å; L15-F18 PolarHBondContact O-N 2.9Å; L15-V19 WeakPolarHBondContact O-CB 3.48Å; L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.36Å; L15-V19 PolarHBondContact O-N 3.25Å
16L88.4Confident79.6Confident101 Ų101107.5 Ų107.553%0.52952%0.522SS..Hα-helixtrans-60.8-47.8175.1-169.785.8000111.2N12 L13 F18 V19 I20N12-L16 WeakPolarHBondContact O-CB 3.41Å; N12-L16 PolarHBondContact O-N 3.42Å; L13-L16 HydrophobicContact CD1-CD2 4.44Å; L13-L16 PolarHBondContact O-N 2.76Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.32Å; L16-V19 PolarHBondContact O-N 3.04Å; L16-I20 HydrophobicContact CD2-CD1 4.15Å; L16-I20 HydrophobicContact CG-CD1 3.91Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.33Å
17F89.2Confident79.4Confident128 Ų128102.8 Ų102.856%0.56151%0.514SS*.Hα-helixtrans-61.6-41.3176.9179.8-97.2000111.9L13 F14 I20 L21L13-F17 WeakPolarHBondContact O-CB 3.4Å; L13-F17 PolarHBondContact O-N 3.46Å; F14-F17 PolarHBondContact O-N 3.29Å; F17-I20 PolarHBondContact O-N 2.94Å; F17-L21 HydrophobicContact CE1-CD2 4.33Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.44Å; F17-L21 PolarHBondContact O-N 2.88Å
18F88.2Confident79.1Confident95 Ų95104.6 Ų104.642%0.41753%0.525SS..Hα-helixtrans-65.3-42.2176.7-172.7-96.4000112.2F14 L15 L16 L21 Q22F14-F18 VanDerWaalsContact O-CB 3.26Å; F14-F18 WeakPolarHBondContact O-CB 3.25Å; F14-F18 PolarHBondContact O-N 3.19Å; L15-F18 PolarHBondContact O-N 2.9Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.32Å; F18-L21 PolarHBondContact O-N 2.88Å; F18-Q22 HydrophobicContact CD1-CG 4.28Å; F18-Q22 HydrophobicContact CE1-CG 4.02Å; F18-Q22 HydrophobicContact CZ-CG 4.35Å; F18-Q22 WeakPolarHBondContact O-CB 3.37Å; F18-Q22 WeakPolarHBondContact O-CG 3.41Å; F18-Q22 PolarHBondContact O-N 3.23Å
19V85.2Confident78.8Confident89 Ų89100.7 Ų100.754%0.53952%0.515SS..Hα-helixtrans-64.7-42.3174.1167.80000111.4L15 L16 Q22 S23L15-V19 WeakPolarHBondContact O-CB 3.48Å; L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.36Å; L15-V19 PolarHBondContact O-N 3.25Å; L16-V19 PolarHBondContact O-N 3.04Å; V19-Q22 PolarHBondContact O-N 3.03Å; V19-S23 WeakPolarHBondContact O-CB 3.5Å; V19-S23 PolarHBondContact O-N 2.89Å; V19-S23 PolarHBondContact O-OG 3.33Å
20I84.7Confident78.7Confident79 Ų7998.5 Ų98.541%0.40550%0.5SS..Hα-helixtrans-61.8-47.9174.5-70.8165.7000109.9L16 F17 Q22 S23 I24L16-I20 HydrophobicContact CD2-CD1 4.15Å; L16-I20 HydrophobicContact CG-CD1 3.91Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.33Å; F17-I20 PolarHBondContact O-N 2.94Å; I20-Q22 VanDerWaalsContact C-N 3.34Å; I20-Q22 PolarHBondContact O-N 3.11Å; I20-S23 PolarHBondContact O-N 2.99Å; I20-S23 PolarHBondContact O-OG 3.04Å; I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.42Å; I20-I24 WeakPolarHBondContact O-CG1 3.25Å; I20-I24 PolarHBondContact O-N 3.3Å
21L83.6Confident78.7Confident89 Ų8994.4 Ų94.447%0.46648%0.482SS..Hα-helixtrans-61.1-40.4177.5-172.267.9000112.3F17 F18 I24 F25F17-L21 HydrophobicContact CE1-CD2 4.33Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.44Å; F17-L21 PolarHBondContact O-N 2.88Å; F18-L21 PolarHBondContact O-N 2.88Å; L21-I24 PolarHBondContact O-N 2.94Å; L21-F25 VanDerWaalsContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CB 3.26Å; L21-F25 PolarHBondContact O-N 2.96Å
22Q78.3Confident78.9Confident99 Ų9990.7 Ų90.746%0.46347%0.465SS..Hα-helixtrans-64.7-43173.4-78.2-169.4-39.300112.2F18 V19 I20 F25 Q26F18-Q22 HydrophobicContact CD1-CG 4.28Å; F18-Q22 HydrophobicContact CE1-CG 4.02Å; F18-Q22 HydrophobicContact CZ-CG 4.35Å; F18-Q22 WeakPolarHBondContact O-CB 3.37Å; F18-Q22 WeakPolarHBondContact O-CG 3.41Å; F18-Q22 PolarHBondContact O-N 3.23Å; V19-Q22 PolarHBondContact O-N 3.03Å; I20-Q22 VanDerWaalsContact C-N 3.34Å; I20-Q22 PolarHBondContact O-N 3.11Å; Q22-F25 PolarHBondContact O-N 3.41Å; Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 VanDerWaalsContact O-CG 3.31Å; Q22-Q26 WeakPolarHBondContact O-CG 3.3Å; Q22-Q26 PolarHBondContact O-N 3.25Å
23S73.2Confident78.9Confident53 Ų5386.1 Ų86.137%0.37144%0.441SS..Hα-helixtrans-64.4-40.6176.4700000112.3V19 I20 Q26 T27V19-S23 WeakPolarHBondContact O-CB 3.5Å; V19-S23 PolarHBondContact O-N 2.89Å; V19-S23 PolarHBondContact O-OG 3.33Å; I20-S23 PolarHBondContact O-N 2.99Å; I20-S23 PolarHBondContact O-OG 3.04Å; S23-Q26 PolarHBondContact O-N 3.26Å; S23-T27 WeakPolarHBondContact O-CG2 3.28Å; S23-T27 PolarHBondContact O-N 3.39Å; S23-T27 PolarHBondContact O-OG1 2.9Å
24I73.7Confident78.7Confident80 Ų8084.8 Ų84.841%0.4144%0.435SS..Hα-helixtrans-62.8-49.2174.4-70.1167.9000110I20 L21 Q26 T27 I28I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.42Å; I20-I24 WeakPolarHBondContact O-CG1 3.25Å; I20-I24 PolarHBondContact O-N 3.3Å; L21-I24 PolarHBondContact O-N 2.94Å; I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 2.85Å; I24-T27 WeakPolarHBondContact CA-OG1 3.47Å; I24-T27 PolarHBondContact O-N 3.03Å; I24-T27 VanDerWaalsContact O-N 3.13Å; I24-T27 PolarHBondContact O-OG1 3.24Å; I24-I28 HydrophobicContact CG2-CD1 3.66Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.45Å
25F73.6Confident78.6Confident142 Ų14282.8 Ų82.862%0.62343%0.427SS*.Hα-helixtrans-60.3-40.4177.5-174.4-94.4000112.2L21 Q22 I28 S29L21-F25 VanDerWaalsContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CB 3.26Å; L21-F25 PolarHBondContact O-N 2.96Å; Q22-F25 PolarHBondContact O-N 3.41Å; F25-I28 PolarHBondContact O-N 3.16Å; F25-S29 VanDerWaalsContact O-CB 3.3Å; F25-S29 WeakPolarHBondContact O-CB 3.37Å; F25-S29 PolarHBondContact O-N 3.03Å; F25-S29 PolarHBondContact O-OG 3.39Å
26Q68.1Low78.6Confident134 Ų13478.3 Ų78.363%0.62640%0.404SS*.Hα-helixtrans-60.8-47.5171.9-77.7175-21.800111.4Q22 S23 I24 I28 S29 S30Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 VanDerWaalsContact O-CG 3.31Å; Q22-Q26 WeakPolarHBondContact O-CG 3.3Å; Q22-Q26 PolarHBondContact O-N 3.25Å; S23-Q26 PolarHBondContact O-N 3.26Å; I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 2.85Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.11Å; Q26-S29 CarbonylContact O-C 3.52Å; Q26-S29 PolarHBondContact O-N 3.19Å; Q26-S29 VanDerWaalsContact O-N 3.16Å; Q26-S30 VanDerWaalsContact O-CB 3.25Å; Q26-S30 WeakPolarHBondContact O-CB 3.34Å; Q26-S30 PolarHBondContact O-N 3.04Å
27T64.3Low78.4Confident86 Ų8675 Ų7553%0.52839%0.389SS..Hα-helixtrans-68-24.7178.253.30000114.7S23 I24 S30S23-T27 WeakPolarHBondContact O-CG2 3.28Å; S23-T27 PolarHBondContact O-N 3.39Å; S23-T27 PolarHBondContact O-OG1 2.9Å; I24-T27 WeakPolarHBondContact CA-OG1 3.47Å; I24-T27 PolarHBondContact O-N 3.03Å; I24-T27 VanDerWaalsContact O-N 3.13Å; I24-T27 PolarHBondContact O-OG1 3.24Å; T27-S30 PolarHBondContact O-OG 3.47Å
28I63.3Low78.1Confident134 Ų13475.5 Ų75.569%0.68740%0.396SS*.Hα-helixtrans-79.9-29.9173.1-67.6168.2000111I24 F25 Q26I24-I28 HydrophobicContact CG2-CD1 3.66Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 3.45Å; F25-I28 PolarHBondContact O-N 3.16Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.11Å
29S66.5Low77.9Confident51 Ų5176.8 Ų76.836%0.35741%0.407SS..Hα-helixtrans-88.6-16.9179.7-53.30000113.6F25 Q26 L31F25-S29 VanDerWaalsContact O-CB 3.3Å; F25-S29 WeakPolarHBondContact O-CB 3.37Å; F25-S29 PolarHBondContact O-N 3.03Å; F25-S29 PolarHBondContact O-OG 3.39Å; Q26-S29 CarbonylContact O-C 3.52Å; Q26-S29 PolarHBondContact O-N 3.19Å; Q26-S29 VanDerWaalsContact O-N 3.16Å; S29-L31 PolarHBondContact O-N 2.88Å
30S75.1Confident77.8Confident27 Ų2780.9 Ų80.919%0.18942%0.418CS..  trans-73.2127.7-165.960.80000112.9Q26 T27 D62Q26-S30 VanDerWaalsContact O-CB 3.25Å; Q26-S30 WeakPolarHBondContact O-CB 3.34Å; Q26-S30 PolarHBondContact O-N 3.04Å; T27-S30 PolarHBondContact O-OG 3.47Å; S30-D62 WeakPolarHBondContact CA-OD2 3.45Å
31L79Confident77.7Confident40 Ų4079.5 Ų79.521%0.20941%0.414CS..  trans-86.9119.6-177-70.9176.5000111.6S29 L36 L57 H59 P61 D62 R63S29-L31 PolarHBondContact O-N 2.88Å; L31-L36 HydrophobicContact CD2-CD2 4.27Å; L31-L57 HydrophobicContact CD1-CD2 4.17Å; L31-H59 VanDerWaalsContact CD1-CE1 3.46Å; L31-H59 WeakPolarHBondContact CD1-CE1 3.48Å; L31-P61 HydrophobicContact CB-CB 4.35Å; L31-P61 CarbonylContact O-C 3.43Å; L31-P61 WeakPolarHBondContact O-CA 3.45Å; L31-D62 PolarHBondContact N-OD2 3.24Å; L31-D62 PolarHBondContact O-N 3.18Å; L31-R63 PolarHBondContact O-N 3.09Å; L31-R63 VanDerWaalsContact O-N 3.1Å
32N83.4Confident77.9Confident31 Ų3175.6 Ų75.617%0.16639%0.393CS..BIsolated β-bridgetrans-108.8130-178.9175.82.5000110.7N34 E35 L36 R63N32-N34 PolarHBondContact O-N 2.99Å; N32-N34 VanDerWaalsContact O-N 3.09Å; N32-N34 PolarHBondContact OD1-N 2.76Å; N32-N34 VanDerWaalsContact OD1-N 3.13Å; N32-E35 HydrophobicContact CB-CB 4.23Å; N32-E35 HydrophobicContact CB-CG 4.23Å; N32-E35 WeakPolarHBondContact CB-OE1 3.35Å; N32-E35 PolarHBondContact ND2-OE1 3.32Å; N32-E35 PolarHBondContact O-N 2.89Å; N32-L36 WeakPolarHBondContact O-CG 3.24Å; N32-L36 PolarHBondContact O-N 2.78Å; N32-R63 HydrophobicContact CB-CB 4.47Å
33S82.8Confident78.3Confident0 Ų074.1 Ų74.10%039%0.394CS..Hα-helixtrans-51.4-36178.459.20000113.6C37 C45 R63 S65 I68S33-C37 PolarHBondContact O-N 2.83Å; S33-C37 VanDerWaalsContact O-N 3.08Å; S33-C45 PolarHBondContact O-SG 2.91Å; S33-C45 VanDerWaalsContact O-SG 3.41Å; S33-R63 PolarHBondContact N-O 2.88Å; S33-S65 PolarHBondContact OG-N 2.77Å; S33-I68 VanDerWaalsContact CB-CD1 3.47Å; S33-I68 WeakPolarHBondContact OG-CD1 3.33Å
34N81.4Confident78.6Confident80 Ų8073.3 Ų73.343%0.42839%0.394SS..Hα-helixtrans-72.6-39-176.6-62.93.4000110.8N32 L38N32-N34 PolarHBondContact O-N 2.99Å; N32-N34 VanDerWaalsContact O-N 3.09Å; N32-N34 PolarHBondContact OD1-N 2.76Å; N32-N34 VanDerWaalsContact OD1-N 3.13Å; N34-L38 WeakPolarHBondContact O-CB 3.5Å; N34-L38 WeakPolarHBondContact O-CD1 3.36Å; N34-L38 WeakPolarHBondContact O-CG 3.29Å; N34-L38 PolarHBondContact O-N 2.75Å
35E83.7Confident78.9Confident97 Ų9770.8 Ų70.845%0.45338%0.383SS..Hα-helixtrans-70.9-38.5175.1-71.3154.6-135.500111.5N32 C37 L38 N39N32-E35 HydrophobicContact CB-CB 4.23Å; N32-E35 HydrophobicContact CB-CG 4.23Å; N32-E35 WeakPolarHBondContact CB-OE1 3.35Å; N32-E35 PolarHBondContact ND2-OE1 3.32Å; N32-E35 PolarHBondContact O-N 2.89Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.4Å; E35-L38 PolarHBondContact O-N 2.9Å; E35-N39 VanDerWaalsContact O-CB 3.27Å; E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 VanDerWaalsContact O-CG 3.31Å; E35-N39 PolarHBondContact O-N 2.8Å; E35-N39 PolarHBondContact O-ND2 2.7Å
36L84.4Confident79Confident10 Ų1072.6 Ų72.65%0.05240%0.398CS..Hα-helixtrans-59.7-40.8174.5-73.4172.5000112.7L31 N32 K40 T41 C42 L57 P61L31-L36 HydrophobicContact CD2-CD2 4.27Å; N32-L36 WeakPolarHBondContact O-CG 3.24Å; N32-L36 PolarHBondContact O-N 2.78Å; L36-K40 PolarHBondContact O-N 3.48Å; L36-T41 WeakPolarHBondContact CA-OG1 3.46Å; L36-T41 WeakPolarHBondContact CD2-OG1 3.17Å; L36-T41 PolarHBondContact O-N 3.32Å; L36-T41 PolarHBondContact O-OG1 2.87Å; L36-C42 HydrophobicContact CB-CB 4.21Å; L36-C42 PolarHBondContact O-N 3.2Å; L36-C42 VanDerWaalsContact O-N 3.14Å; L36-L57 HydrophobicContact CD2-CD2 3.64Å; L36-P61 HydrophobicContact CD1-CB 3.97Å; L36-P61 HydrophobicContact CD1-CG 3.7Å
37C85.2Confident79.6Confident31 Ų3170.3 Ų70.321%0.20940%0.402CS..Hα-helixtrans-77.5-34.4175.1-81.10000113.4S33 E35 K40 C42 C45S33-C37 PolarHBondContact O-N 2.83Å; S33-C37 VanDerWaalsContact O-N 3.08Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.4Å; C37-K40 PolarHBondContact O-N 3.11Å; C37-C42 WeakPolarHBondContact CA-O 3.42Å; C37-C45 HydrophobicContact CB-CB 3.84Å; C37-C45 WeakPolarHBondContact CB-SG 3.32Å; C37-C45 WeakPolarHBondContact SG-CB 3.14Å; C37-C45 CovalentContact SG-SG 2.04Å; C37-C45 PolarHBondContact SG-SG 3.33Å
38L83.2Confident80.6Confident138 Ų13866.8 Ų66.872%0.72338%0.382SS*.Hα-helixtrans-64.8-41.2173.1-77.5165.2000112N34 E35 K40N34-L38 WeakPolarHBondContact O-CB 3.5Å; N34-L38 WeakPolarHBondContact O-CD1 3.36Å; N34-L38 WeakPolarHBondContact O-CG 3.29Å; N34-L38 PolarHBondContact O-N 2.75Å; E35-L38 PolarHBondContact O-N 2.9Å; L38-K40 PolarHBondContact O-N 3.48Å
39N83.7Confident81.9Confident122 Ų12261.6 Ų61.665%0.65236%0.358SS*.THydrogen-bonded Turntrans-795176.1-67.1-20.4000113.3E35 T41E35-N39 VanDerWaalsContact O-CB 3.27Å; E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 VanDerWaalsContact O-CG 3.31Å; E35-N39 PolarHBondContact O-N 2.8Å; E35-N39 PolarHBondContact O-ND2 2.7Å; N39-T41 HydrophobicContact CB-CG2 4.36Å; N39-T41 PolarHBondContact O-N 3.43Å
40K81.9Confident83.1Confident176 Ų17659.2 Ų59.277%0.76534%0.341SS*.SBendtrans60.6-4.4-178.8-58.2-179179178.60117.3L36 C37 L38 C42L36-K40 PolarHBondContact O-N 3.48Å; C37-K40 PolarHBondContact O-N 3.11Å; L38-K40 PolarHBondContact O-N 3.48Å; K40-C42 PolarHBondContact O-N 3.07Å
41T83.6Confident83.9Confident50 Ų5058.7 Ų58.731%0.30734%0.337SS..SBendtrans-54.6-23.1173.957.80000113.9L36 N39L36-T41 WeakPolarHBondContact CA-OG1 3.46Å; L36-T41 WeakPolarHBondContact CD2-OG1 3.17Å; L36-T41 PolarHBondContact O-N 3.32Å; L36-T41 PolarHBondContact O-OG1 2.87Å; N39-T41 HydrophobicContact CB-CG2 4.36Å; N39-T41 PolarHBondContact O-N 3.43Å
42C88.6Confident84.4Confident6 Ų656.8 Ų56.84%0.04133%0.327CS..SBendtrans-134.8159.9170.2-52.40000110.5L36 C37 K40 L50 S51 C52L36-C42 HydrophobicContact CB-CB 4.21Å; L36-C42 PolarHBondContact O-N 3.2Å; L36-C42 VanDerWaalsContact O-N 3.14Å; C37-C42 WeakPolarHBondContact CA-O 3.42Å; K40-C42 PolarHBondContact O-N 3.07Å; C42-L50 HydrophobicContact CB-CD1 3.48Å; C42-L50 VanDerWaalsContact CB-CD1 3.48Å; C42-L50 HydrophobicContact CB-CG 4.36Å; C42-S51 CarbonylContact C-O 3.47Å; C42-S51 WeakPolarHBondContact CA-O 3.48Å; C42-C52 HydrophobicContact CB-CB 3.99Å; C42-C52 WeakPolarHBondContact CB-SG 3.43Å; C42-C52 WeakPolarHBondContact SG-CB 3.48Å; C42-C52 CovalentContact SG-SG 2.02Å; C42-C52 PolarHBondContact SG-SG 3.09Å
43S85.8Confident84.3Confident68 Ų6861.1 Ų61.148%0.47635%0.347SS..BIsolated β-bridgetrans-124.6171.1-179.362.20000111.4C45 S49 S51S43-C45 PolarHBondContact O-N 2.89Å; S43-S49 VanDerWaalsContact O-O 3.06Å; S43-S51 PolarHBondContact N-O 2.72Å; S43-S51 PolarHBondContact O-N 3.17Å; S43-S51 PolarHBondContact OG-O 2.91Å
44G80.1Confident83.9Confident36 Ų3667.9 Ų67.937%0.37138%0.378SS..  trans80.9-2166.900000117.4I46 A47 S49G44-I46 PolarHBondContact O-N 3.1Å; G44-A47 WeakPolarHBondContact O-CA 3.48Å; G44-A47 PolarHBondContact O-N 2.75Å; G44-S49 CarbonylContact C-O 3.21Å; G44-S49 WeakPolarHBondContact CA-O 3.41Å; G44-S49 PolarHBondContact O-N 3.26Å; G44-S49 VanDerWaalsContact O-O 3.08Å
45C80Confident83.5Confident27 Ų2767 Ų6718%0.18239%0.389CS..G310 helixtrans-48.3-39.2-178.1-73.70000114.5S33 C37 S43 A47 G48S33-C45 PolarHBondContact O-SG 2.91Å; S33-C45 VanDerWaalsContact O-SG 3.41Å; C37-C45 HydrophobicContact CB-CB 3.84Å; C37-C45 WeakPolarHBondContact CB-SG 3.32Å; C37-C45 WeakPolarHBondContact SG-CB 3.14Å; C37-C45 CovalentContact SG-SG 2.04Å; C37-C45 PolarHBondContact SG-SG 3.33Å; S43-C45 PolarHBondContact O-N 2.89Å; C45-A47 VanDerWaalsContact C-N 3.27Å; C45-A47 PolarHBondContact O-N 3.03Å; C45-G48 PolarHBondContact O-N 3.29Å
46I75.3Confident83.3Confident181 Ų18165.4 Ų65.493%0.92840%0.398SS*.G310 helixtrans-67.3-27.6-178.9-59.2171.2000112G44 G48G44-I46 PolarHBondContact O-N 3.1Å; I46-G48 VanDerWaalsContact C-N 3.3Å
47A80Confident83.4Confident86 Ų8665.7 Ų65.771%0.71140%0.399SS*.G310 helixtrans-92.318.6176.800000112.8G44 C45 S49G44-A47 WeakPolarHBondContact O-CA 3.48Å; G44-A47 PolarHBondContact O-N 2.75Å; C45-A47 VanDerWaalsContact C-N 3.27Å; C45-A47 PolarHBondContact O-N 3.03Å; A47-S49 PolarHBondContact O-N 3.42Å
48G86.5Confident83.5Confident12 Ų1266.8 Ų66.812%0.12441%0.405CS..THydrogen-bonded Turntrans6618.8-178.100000114.4C45 I46 D67 I68 Q69 S70C45-G48 PolarHBondContact O-N 3.29Å; I46-G48 VanDerWaalsContact C-N 3.3Å; G48-D67 VanDerWaalsContact CA-O 3.26Å; G48-D67 WeakPolarHBondContact CA-O 3.36Å; G48-I68 WeakPolarHBondContact O-CA 3.27Å; G48-Q69 PolarHBondContact O-N 2.81Å; G48-S70 PolarHBondContact O-N 2.95Å; G48-S70 VanDerWaalsContact O-N 3.11Å
49S90Very high83.8Confident25 Ų2563 Ų6318%0.17538%0.384CS..EExtended strand (participates in β ladder)trans-132.9103-177.1-172.90000112.4S43 G44 A47 S51 S70S43-S49 VanDerWaalsContact O-O 3.06Å; G44-S49 CarbonylContact C-O 3.21Å; G44-S49 WeakPolarHBondContact CA-O 3.41Å; G44-S49 PolarHBondContact O-N 3.26Å; G44-S49 VanDerWaalsContact O-O 3.08Å; A47-S49 PolarHBondContact O-N 3.42Å; S49-S51 PolarHBondContact O-N 3.37Å; S49-S70 CarbonylContact C-O 3.53Å; S49-S70 VanDerWaalsContact CA-O 3.27Å; S49-S70 WeakPolarHBondContact CA-O 3.08Å; S49-S70 WeakPolarHBondContact OG-CB 3.06Å; S49-S70 PolarHBondContact OG-OG 2.76Å; S49-S70 VanDerWaalsContact OG-OG 3.05Å
50L91.8Very high84.2Confident0 Ų057.8 Ų57.80%036%0.356CS..EExtended strand (participates in β ladder)trans-77.2106.3174.1-178.268000109.8C42 P61 L64 I68 S70 M71 I72C42-L50 HydrophobicContact CB-CD1 3.48Å; C42-L50 VanDerWaalsContact CB-CD1 3.48Å; C42-L50 HydrophobicContact CB-CG 4.36Å; L50-P61 HydrophobicContact CD2-CG 3.95Å; L50-L64 HydrophobicContact CD2-CD2 3.69Å; L50-I68 HydrophobicContact CB-CD1 4.3Å; L50-I68 HydrophobicContact CB-CG2 4.18Å; L50-S70 PolarHBondContact N-O 3.02Å; L50-M71 HydrophobicContact CD2-CG 4.33Å; L50-M71 HydrophobicContact CD2-SD 4.12Å; L50-M71 WeakPolarHBondContact O-CA 3.19Å; L50-I72 PolarHBondContact O-N 2.85Å
51S91.7Very high84.6Confident16 Ų1649.4 Ų49.411%0.11232%0.319CS..EExtended strand (participates in β ladder)trans-113.6109.8179.2179.30000111C42 S43 S49 Q53 I72C42-S51 CarbonylContact C-O 3.47Å; C42-S51 WeakPolarHBondContact CA-O 3.48Å; S43-S51 PolarHBondContact N-O 2.72Å; S43-S51 PolarHBondContact O-N 3.17Å; S43-S51 PolarHBondContact OG-O 2.91Å; S49-S51 PolarHBondContact O-N 3.37Å; S51-Q53 PolarHBondContact OG-NE2 3.17Å; S51-I72 WeakPolarHBondContact CA-O 3.35Å
52C90.1Very high84.8Confident0 Ų049.9 Ų49.90%032%0.32CS..EExtended strand (participates in β ladder)trans-114.7115.1178.1-42.50000109C42 L57 I72 L73 M74 H76C42-C52 HydrophobicContact CB-CB 3.99Å; C42-C52 WeakPolarHBondContact CB-SG 3.43Å; C42-C52 WeakPolarHBondContact SG-CB 3.48Å; C42-C52 CovalentContact SG-SG 2.02Å; C42-C52 PolarHBondContact SG-SG 3.09Å; C52-L57 HydrophobicContact CB-CD1 4Å; C52-I72 PolarHBondContact N-O 3.13Å; C52-L73 HydrophobicContact CB-CD2 3.59Å; C52-L73 WeakPolarHBondContact SG-CD2 3.27Å; C52-M74 PolarHBondContact O-N 3.41Å; C52-M74 VanDerWaalsContact O-N 3.13Å; C52-H76 WeakPolarHBondContact CA-NE2 3.48Å; C52-H76 VanDerWaalsContact CB-CE1 3.48Å; C52-H76 WeakPolarHBondContact CB-CE1 3.45Å; C52-H76 WeakPolarHBondContact CB-NE2 3.38Å; C52-H76 PolarHBondContact O-NE2 3.05Å
53Q81.1Confident84.6Confident123 Ų12355.7 Ų55.758%0.57534%0.341SS*.  trans-121.3-15.8-177.1-56.9-173.86.200113.2S51 M74 H76S51-Q53 PolarHBondContact OG-NE2 3.17Å; Q53-M74 HydrophobicContact CG-CE 3.81Å; Q53-H76 PolarHBondContact N-NE2 3.28Å; Q53-H76 VanDerWaalsContact N-NE2 3.2Å
54E74.2Confident84.7Confident141 Ų14152.8 Ų52.866%0.65932%0.32SS*.SBendtrans-82.4122.2172.6-63.8-177.7178.900109.6H76E54-H76 PolarHBondContact O-CE1 3.39Å
55G72Confident85Confident63 Ų6352.6 Ų52.665%0.64931%0.313SS*.SBendtrans-65.1137.3-176.300000113.1
56G79.5Confident85.3Confident63 Ų6354.7 Ų54.765%0.64933%0.328SS*.  trans165.5-22.9173.500000114.9T58G56-T58 PolarHBondContact O-N 3.07Å
57L86.4Confident85.9Confident15 Ų1551 Ų518%0.07931%0.31CS..  trans-66.7128.9178.7-53.5177.9000110.8L31 L36 C52 L73 H76L31-L57 HydrophobicContact CD1-CD2 4.17Å; L36-L57 HydrophobicContact CD2-CD2 3.64Å; C52-L57 HydrophobicContact CB-CD1 4Å; L57-L73 HydrophobicContact CD1-CD2 3.99Å; L57-H76 HydrophobicContact CB-CB 4.07Å; L57-H76 WeakPolarHBondContact CB-ND1 3.36Å; L57-H76 WeakPolarHBondContact CG-ND1 3.47Å; L57-H76 PolarHBondContact N-ND1 2.94Å
58T88.1Confident86.4Confident54 Ų5447 Ų4733%0.33128%0.277SS..SBendtrans-98-8.1-178.355.80000113.3G56 F78 N79G56-T58 PolarHBondContact O-N 3.07Å; T58-F78 CarbonylContact O-C 3.57Å; T58-F78 VanDerWaalsContact O-CA 3.3Å; T58-F78 WeakPolarHBondContact O-CA 3.16Å; T58-N79 PolarHBondContact O-N 3.05Å
59H89.7Confident86.7Confident60 Ų6050.6 Ų50.628%0.27829%0.29SS..SBendtrans-159.3174.1178.954.2-70.4000109.5L31 D62L31-H59 VanDerWaalsContact CD1-CE1 3.46Å; L31-H59 WeakPolarHBondContact CD1-CE1 3.48Å; H59-D62 IonicContact CD2-OD2 3.26Å; H59-D62 IonicContact NE2-OD2 2.71Å
60L92.1Very high86.9Confident12 Ų1249.5 Ų49.56%0.06328%0.283CS..  trans-69.3152.3170.7-63.5175.4000110.5D62 M71 L73 F78 L83 N87 F88 L103L60-D62 PolarHBondContact O-N 3.36Å; L60-M71 HydrophobicContact CD2-CE 4.21Å; L60-L73 HydrophobicContact CD2-CD1 3.5Å; L60-F78 HydrophobicContact CD2-CE2 3.79Å; L60-F78 HydrophobicContact CD2-CZ 3.58Å; L60-F78 HydrophobicContact CG-CE2 4.13Å; L60-F78 HydrophobicContact CG-CZ 4.19Å; L60-L83 HydrophobicContact CD1-CD2 4.36Å; L60-N87 HydrophobicContact CD1-CB 4.17Å; L60-F88 HydrophobicContact CD1-CD1 4.46Å; L60-F88 HydrophobicContact CD1-CE1 3.67Å; L60-F88 HydrophobicContact CD1-CE2 4.34Å; L60-F88 HydrophobicContact CD1-CZ 3.59Å; L60-L103 HydrophobicContact CD2-CD1 4.36Å; L60-L103 HydrophobicContact CD2-CD2 3.6Å
61P89.9Confident87Confident0 Ų049.5 Ų49.50%028%0.283CS..  trans-61.6125.4174.4-18.731.2000111L31 L36 L50 R63 L64 M71 Y91L31-P61 HydrophobicContact CB-CB 4.35Å; L31-P61 CarbonylContact O-C 3.43Å; L31-P61 WeakPolarHBondContact O-CA 3.45Å; L36-P61 HydrophobicContact CD1-CB 3.97Å; L36-P61 HydrophobicContact CD1-CG 3.7Å; L50-P61 HydrophobicContact CD2-CG 3.95Å; P61-R63 PolarHBondContact O-N 2.68Å; P61-L64 HydrophobicContact CB-CD2 3.94Å; P61-L64 HydrophobicContact CG-CD2 4.18Å; P61-M71 HydrophobicContact CG-SD 4.24Å; P61-Y91 WeakPolarHBondContact O-CE1 3.42Å; P61-Y91 PolarHBondContact O-OH 2.9Å
62D87.3Confident87.1Confident60 Ų6050.8 Ų50.832%0.32129%0.288SS..SBendtrans-67.1-24.5178.3-52.6-83.5000112.8S30 L31 H59 L60 T90S30-D62 WeakPolarHBondContact CA-OD2 3.45Å; L31-D62 PolarHBondContact N-OD2 3.24Å; L31-D62 PolarHBondContact O-N 3.18Å; H59-D62 IonicContact CD2-OD2 3.26Å; H59-D62 IonicContact NE2-OD2 2.71Å; L60-D62 PolarHBondContact O-N 3.36Å; D62-T90 VanDerWaalsContact O-CB 3.24Å; D62-T90 WeakPolarHBondContact O-CB 3.31Å; D62-T90 PolarHBondContact O-OG1 3.39Å
63R85.8Confident87.3Confident128 Ų12850.8 Ų50.848%0.48329%0.288SS..BIsolated β-bridgetrans-130.1127.1179.9-53.3-170.7175.2-177.6-0.3111.6L31 N32 S33 P61L31-R63 PolarHBondContact O-N 3.09Å; L31-R63 VanDerWaalsContact O-N 3.1Å; N32-R63 HydrophobicContact CB-CB 4.47Å; S33-R63 PolarHBondContact N-O 2.88Å; P61-R63 PolarHBondContact O-N 2.68Å
64L88Confident87.9Confident7 Ų747.2 Ų47.24%0.03727%0.272CS..  trans-117.4143.6172.3-63.4179.5000109.7L50 P61 I68 M71 Y91 Q94 V96L50-L64 HydrophobicContact CD2-CD2 3.69Å; P61-L64 HydrophobicContact CB-CD2 3.94Å; P61-L64 HydrophobicContact CG-CD2 4.18Å; L64-I68 HydrophobicContact CB-CD1 4.24Å; L64-I68 HydrophobicContact CD2-CD1 4.16Å; L64-M71 HydrophobicContact CD1-CE 4.46Å; L64-M71 HydrophobicContact CD1-SD 4.17Å; L64-M71 HydrophobicContact CD2-SD 4.14Å; L64-Y91 HydrophobicContact CB-CD1 4.41Å; L64-Y91 HydrophobicContact CB-CE1 4.43Å; L64-Y91 HydrophobicContact CD1-CD1 3.87Å; L64-Y91 HydrophobicContact CD1-CD2 4Å; L64-Y91 HydrophobicContact CD1-CE1 3.62Å; L64-Y91 HydrophobicContact CD1-CE2 3.72Å; L64-Y91 HydrophobicContact CD1-CG 4.09Å; L64-Y91 HydrophobicContact CG-CD1 3.99Å; L64-Y91 HydrophobicContact CG-CE1 3.6Å; L64-Q94 PolarHBondContact O-OE1 3.42Å; L64-V96 HydrophobicContact CB-CG1 4.43Å; L64-V96 HydrophobicContact CB-CG2 4.14Å; L64-V96 HydrophobicContact CD1-CG1 4.41Å
65S86.1Confident88.6Confident32 Ų3242.3 Ų42.322%0.22426%0.259CS..  trans-61.3146.5166.6-170.80000110.8S33 D67 I68S33-S65 PolarHBondContact OG-N 2.77Å; S65-D67 PolarHBondContact O-N 3.01Å; S65-D67 PolarHBondContact OG-OD2 3.02Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-I68 VanDerWaalsContact O-N 3.16Å
66S85.9Confident89.4Confident70 Ų7039.4 Ų39.449%0.4923%0.229SC..THydrogen-bonded Turntrans-52.8-28177460000113.8I68S66-I68 VanDerWaalsContact C-N 3.33Å
67D87.8Confident89.9Confident104 Ų10444.6 Ų44.656%0.55623%0.233SC*.THydrogen-bonded Turntrans-87.1-8.4-169.5-40.2-33.4000112G48 S65 Q69G48-D67 VanDerWaalsContact CA-O 3.26Å; G48-D67 WeakPolarHBondContact CA-O 3.36Å; S65-D67 PolarHBondContact O-N 3.01Å; S65-D67 PolarHBondContact OG-OD2 3.02Å; D67-Q69 PolarHBondContact O-N 2.9Å
68I90.7Very high90.2Very high2 Ų244.6 Ų44.61%0.0123%0.233CC..  trans-77.8108.2-179.3-62.6171.6000109.7S33 G48 L50 L64 S65 S66 S70 V96 L98S33-I68 VanDerWaalsContact CB-CD1 3.47Å; S33-I68 WeakPolarHBondContact OG-CD1 3.33Å; G48-I68 WeakPolarHBondContact O-CA 3.27Å; L50-I68 HydrophobicContact CB-CD1 4.3Å; L50-I68 HydrophobicContact CB-CG2 4.18Å; L64-I68 HydrophobicContact CB-CD1 4.24Å; L64-I68 HydrophobicContact CD2-CD1 4.16Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-I68 VanDerWaalsContact O-N 3.16Å; S66-I68 VanDerWaalsContact C-N 3.33Å; I68-S70 WeakPolarHBondContact CG2-O 3.49Å; I68-V96 WeakPolarHBondContact O-CG1 3.3Å; I68-L98 HydrophobicContact CG2-CD1 4.37Å
69Q92.8Very high90.3Very high87 Ų8748.2 Ų48.241%0.40725%0.25SS..  trans-100.2-14.4176.2-62.3174.132.100111.8G48 D67 Q99 R100G48-Q69 PolarHBondContact O-N 2.81Å; D67-Q69 PolarHBondContact O-N 2.9Å; Q69-Q99 HydrophobicContact CB-CG 4.4Å; Q69-Q99 WeakPolarHBondContact O-CA 3.31Å; Q69-Q99 WeakPolarHBondContact O-CB 3.45Å; Q69-Q99 PolarHBondContact O-N 3.42Å; Q69-R100 PolarHBondContact O-N 2.87Å
70S94.7Very high90.4Very high2 Ų249.4 Ų49.41%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-135.7127.6-174.9177.80000110.1G48 S49 L50 I68 R100G48-S70 PolarHBondContact O-N 2.95Å; G48-S70 VanDerWaalsContact O-N 3.11Å; S49-S70 CarbonylContact C-O 3.53Å; S49-S70 VanDerWaalsContact CA-O 3.27Å; S49-S70 WeakPolarHBondContact CA-O 3.08Å; S49-S70 WeakPolarHBondContact OG-CB 3.06Å; S49-S70 PolarHBondContact OG-OG 2.76Å; S49-S70 VanDerWaalsContact OG-OG 3.05Å; L50-S70 PolarHBondContact N-O 3.02Å; I68-S70 WeakPolarHBondContact CG2-O 3.49Å; S70-R100 WeakPolarHBondContact CA-O 3.43Å; S70-R100 PolarHBondContact OG-NE 2.87Å
71M94.2Very high90.5Very high0 Ų050.7 Ų50.70%027%0.268CS..EExtended strand (participates in β ladder)trans-127.4121174.4-177.8164.665.800109.7L50 L60 P61 L64 L73 Y91 L98 R100 L101 T102L50-M71 HydrophobicContact CD2-CG 4.33Å; L50-M71 HydrophobicContact CD2-SD 4.12Å; L50-M71 WeakPolarHBondContact O-CA 3.19Å; L60-M71 HydrophobicContact CD2-CE 4.21Å; P61-M71 HydrophobicContact CG-SD 4.24Å; L64-M71 HydrophobicContact CD1-CE 4.46Å; L64-M71 HydrophobicContact CD1-SD 4.17Å; L64-M71 HydrophobicContact CD2-SD 4.14Å; M71-L73 HydrophobicContact CG-CD1 4.46Å; M71-L73 HydrophobicContact CG-CD2 4.22Å; M71-L73 HydrophobicContact CG-CG 4.06Å; M71-L73 HydrophobicContact SD-CD1 4.28Å; M71-L73 HydrophobicContact SD-CG 4.49Å; M71-Y91 HydrophobicContact CE-CE2 4.2Å; M71-L98 HydrophobicContact CB-CD1 3.94Å; M71-R100 PolarHBondContact N-O 2.87Å; M71-L101 HydrophobicContact CB-CD1 4.4Å; M71-L101 HydrophobicContact CE-CD1 3.56Å; M71-L101 WeakPolarHBondContact O-CA 3.38Å; M71-T102 PolarHBondContact O-N 2.87Å
72I93.8Very high90.7Very high43 Ų4352.3 Ų52.322%0.22128%0.278CS..EExtended strand (participates in β ladder)trans-124.1108.6-177.1-58.7172.9000108L50 S51 C52 M74 T102L50-I72 PolarHBondContact O-N 2.85Å; S51-I72 WeakPolarHBondContact CA-O 3.35Å; C52-I72 PolarHBondContact N-O 3.13Å; I72-M74 HydrophobicContact CG2-CE 4.33Å; I72-M74 HydrophobicContact CG2-CG 4.05Å; I72-M74 HydrophobicContact CG2-SD 4.4Å; I72-T102 HydrophobicContact CG2-CG2 4.16Å
73L94Very high91.2Very high0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-116.6122.7175-52.2-177.2000107.7C52 L57 L60 M71 F78 T102 L103 R104C52-L73 HydrophobicContact CB-CD2 3.59Å; C52-L73 WeakPolarHBondContact SG-CD2 3.27Å; L57-L73 HydrophobicContact CD1-CD2 3.99Å; L60-L73 HydrophobicContact CD2-CD1 3.5Å; M71-L73 HydrophobicContact CG-CD1 4.46Å; M71-L73 HydrophobicContact CG-CD2 4.22Å; M71-L73 HydrophobicContact CG-CG 4.06Å; M71-L73 HydrophobicContact SD-CD1 4.28Å; M71-L73 HydrophobicContact SD-CG 4.49Å; L73-F78 HydrophobicContact CD1-CZ 3.99Å; L73-T102 PolarHBondContact N-O 3.41Å; L73-L103 HydrophobicContact CB-CD2 4.01Å; L73-L103 HydrophobicContact CD1-CD2 3.72Å; L73-L103 HydrophobicContact CG-CD2 4.06Å; L73-L103 CarbonylContact O-C 3.59Å; L73-L103 WeakPolarHBondContact O-CA 3.42Å; L73-R104 PolarHBondContact O-N 2.04Å
74M92.5Very high91.6Very high48 Ų4844.3 Ų44.324%0.23625%0.245CC..EExtended strand (participates in β ladder)trans-128.6130.6178.9-59.1-161.8-72.600112C52 Q53 I72 H76 R104C52-M74 PolarHBondContact O-N 3.41Å; C52-M74 VanDerWaalsContact O-N 3.13Å; Q53-M74 HydrophobicContact CG-CE 3.81Å; I72-M74 HydrophobicContact CG2-CE 4.33Å; I72-M74 HydrophobicContact CG2-CG 4.05Å; I72-M74 HydrophobicContact CG2-SD 4.4Å; M74-H76 VanDerWaalsContact C-N 3.32Å; M74-H76 PolarHBondContact N-CD2 3.08Å; M74-H76 VanDerWaalsContact N-CD2 3.32Å; M74-H76 PolarHBondContact N-NE2 2.92Å; M74-H76 PolarHBondContact O-CD2 3.09Å; M74-H76 VanDerWaalsContact O-CD2 3.23Å; M74-H76 PolarHBondContact O-N 3.24Å; M74-H76 PolarHBondContact O-NE2 3.31Å; M74-R104 WeakPolarHBondContact CA-O 3.27Å; M74-R104 HydrophobicContact CG-CB 4.17Å
75G89.7Confident91.9Very high39 Ų3946.2 Ų46.240%0.40226%0.259SS..SBendtrans77.26.4175.600000116.2K77 R104 N105G75-K77 PolarHBondContact O-N 3.33Å; G75-R104 PolarHBondContact N-O 3.4Å; G75-N105 CarbonylContact C-O 2.94Å; G75-N105 WeakPolarHBondContact CA-O 3.48Å
76H89.4Confident92.1Very high1 Ų150.3 Ų50.31%0.00528%0.279CS..  trans-86.3102.7-177.8-57.3-85.6000111.8C52 Q53 E54 L57 M74 F78 C106C52-H76 WeakPolarHBondContact CA-NE2 3.48Å; C52-H76 VanDerWaalsContact CB-CE1 3.48Å; C52-H76 WeakPolarHBondContact CB-CE1 3.45Å; C52-H76 WeakPolarHBondContact CB-NE2 3.38Å; C52-H76 PolarHBondContact O-NE2 3.05Å; Q53-H76 PolarHBondContact N-NE2 3.28Å; Q53-H76 VanDerWaalsContact N-NE2 3.2Å; E54-H76 PolarHBondContact O-CE1 3.39Å; L57-H76 HydrophobicContact CB-CB 4.07Å; L57-H76 WeakPolarHBondContact CB-ND1 3.36Å; L57-H76 WeakPolarHBondContact CG-ND1 3.47Å; L57-H76 PolarHBondContact N-ND1 2.94Å; M74-H76 VanDerWaalsContact C-N 3.32Å; M74-H76 PolarHBondContact N-CD2 3.08Å; M74-H76 VanDerWaalsContact N-CD2 3.32Å; M74-H76 PolarHBondContact N-NE2 2.92Å; M74-H76 PolarHBondContact O-CD2 3.09Å; M74-H76 VanDerWaalsContact O-CD2 3.23Å; M74-H76 PolarHBondContact O-N 3.24Å; M74-H76 PolarHBondContact O-NE2 3.31Å; H76-F78 HydrophobicContact CB-CD1 4.36Å; H76-F78 HydrophobicContact CB-CE1 3.89Å; H76-F78 WeakPolarHBondContact O-CD1 3.38Å; H76-F78 PolarHBondContact O-N 3.13Å; H76-F78 VanDerWaalsContact O-N 3.11Å; H76-C106 CarbonylContact O-C 3.56Å; H76-C106 WeakPolarHBondContact O-CA 3.25Å; H76-C106 WeakPolarHBondContact O-CB 3.44Å
77K88.9Confident92.4Very high172 Ų17249.7 Ų49.775%0.74827%0.269SS*.  trans-72.2102.7179.7-175.6-173.1175-170.10111.5G75G75-K77 PolarHBondContact O-N 3.33Å
78F92.1Very high92.6Very high15 Ų1544.7 Ų44.77%0.06624%0.243CC..  trans-70.7145.7179-60.7-23.2000113.3T58 L60 L73 H76 L103 C106 I108T58-F78 CarbonylContact O-C 3.57Å; T58-F78 VanDerWaalsContact O-CA 3.3Å; T58-F78 WeakPolarHBondContact O-CA 3.16Å; L60-F78 HydrophobicContact CD2-CE2 3.79Å; L60-F78 HydrophobicContact CD2-CZ 3.58Å; L60-F78 HydrophobicContact CG-CE2 4.13Å; L60-F78 HydrophobicContact CG-CZ 4.19Å; L73-F78 HydrophobicContact CD1-CZ 3.99Å; H76-F78 HydrophobicContact CB-CD1 4.36Å; H76-F78 HydrophobicContact CB-CE1 3.89Å; H76-F78 WeakPolarHBondContact O-CD1 3.38Å; H76-F78 PolarHBondContact O-N 3.13Å; H76-F78 VanDerWaalsContact O-N 3.11Å; F78-L103 HydrophobicContact CZ-CD2 4.42Å; F78-C106 HydrophobicContact CD2-CB 4.14Å; F78-C106 HydrophobicContact CE2-CB 3.92Å; F78-C106 HydrophobicContact CZ-CB 4.18Å; F78-C106 PolarHBondContact N-O 3.47Å; F78-C106 VanDerWaalsContact N-O 3.1Å; F78-I108 HydrophobicContact CD2-CG1 4.44Å
79N90.7Very high92.5Very high131 Ų13146.6 Ų46.670%0.70126%0.256SS*.SBendtrans-68.3-39.9178.2-78.7-9000112.1T58T58-N79 PolarHBondContact O-N 3.05Å
80N92.3Very high92.2Very high85 Ų8544.2 Ų44.246%0.45525%0.248SC..SBendtrans-97.6115.8169.5-177.63.5000108.8T82N80-T82 PolarHBondContact ND2-O 3.46Å; N80-T82 PolarHBondContact O-N 3.29Å; N80-T82 WeakPolarHBondContact OD1-CB 3.32Å; N80-T82 PolarHBondContact OD1-N 3.27Å
81P93Very high92Very high39 Ų3944.2 Ų44.225%0.25325%0.248SC..  trans-82.211.8178.636.4-38000113.3Q109 S110P81-Q109 HydrophobicContact CB-CB 4.05Å; P81-Q109 HydrophobicContact CB-CG 4Å; P81-Q109 PolarHBondContact O-N 2.78Å; P81-S110 PolarHBondContact O-N 3.28Å
82T95.9Very high91.6Very high34 Ų3449.1 Ų49.121%0.20927%0.273CS..EExtended strand (participates in β ladder)trans-115.3123.3179.7-51.40000110N80 T84 S110 Q112N80-T82 PolarHBondContact ND2-O 3.46Å; N80-T82 PolarHBondContact O-N 3.29Å; N80-T82 WeakPolarHBondContact OD1-CB 3.32Å; N80-T82 PolarHBondContact OD1-N 3.27Å; T82-T84 HydrophobicContact CG2-CG2 4.18Å; T82-S110 WeakPolarHBondContact CA-O 3.37Å; T82-S110 WeakPolarHBondContact CG2-OG 3.3Å; T82-S110 PolarHBondContact OG1-OG 2.87Å; T82-Q112 HydrophobicContact CG2-CG 4.21Å
83L96.1Very high91.1Very high4 Ų454.8 Ų54.82%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-88.2132.9169.1-62.2-180000110.5L60 L103 I108 S110 I111 Q112 T115 F116 L127L60-L83 HydrophobicContact CD1-CD2 4.36Å; L83-L103 HydrophobicContact CD1-CD1 3.9Å; L83-I108 HydrophobicContact CD1-CD1 3.82Å; L83-I108 HydrophobicContact CD1-CG1 4.43Å; L83-I108 HydrophobicContact CD1-CG2 4.35Å; L83-I108 HydrophobicContact CG-CD1 4.26Å; L83-I108 HydrophobicContact CG-CG1 4.35Å; L83-I108 HydrophobicContact CG-CG2 4.15Å; L83-S110 PolarHBondContact N-O 3.4Å; L83-S110 VanDerWaalsContact N-O 3.12Å; L83-I111 HydrophobicContact CB-CG1 4.45Å; L83-I111 HydrophobicContact CB-CG2 4.33Å; L83-I111 HydrophobicContact CD1-CG1 4.46Å; L83-Q112 PolarHBondContact O-N 2.84Å; L83-T115 HydrophobicContact CB-CG2 3.77Å; L83-T115 PolarHBondContact O-OG1 3.47Å; L83-T115 VanDerWaalsContact O-OG1 3.08Å; L83-F116 HydrophobicContact CD1-CE1 4.32Å; L83-F116 HydrophobicContact CD1-CZ 4.07Å; L83-L127 HydrophobicContact CD1-CD2 4.36Å
84T95.2Very high90.7Very high16 Ų1657.6 Ų57.610%0.09831%0.311CS..  trans-128.9164.9177.281.10000110.7T82 D86 N87 Q112T82-T84 HydrophobicContact CG2-CG2 4.18Å; T84-D86 PolarHBondContact O-N 3.39Å; T84-D86 PolarHBondContact OG1-N 2.96Å; T84-D86 PolarHBondContact OG1-OD2 3.07Å; T84-D86 VanDerWaalsContact OG1-OD2 3.1Å; T84-N87 PolarHBondContact N-OD1 3.04Å; T84-N87 WeakPolarHBondContact O-CB 3.32Å; T84-N87 PolarHBondContact O-N 3.42Å; T84-N87 PolarHBondContact O-OD1 3.48Å; T84-Q112 HydrophobicContact CG2-CG 4.24Å
85S93.5Very high90.5Very high47 Ų4761 Ų6133%0.32933%0.331SS..G310 helixtrans-60-26.9176.5-51.70000113.1N87 F88 S89 R114 T115S85-N87 VanDerWaalsContact C-N 3.27Å; S85-N87 PolarHBondContact O-N 3.39Å; S85-F88 PolarHBondContact O-N 3.12Å; S85-S89 PolarHBondContact O-N 3.18Å; S85-R114 PolarHBondContact OG-O 3.39Å; S85-T115 WeakPolarHBondContact CA-O 3.41Å; S85-T115 WeakPolarHBondContact OG-CA 3.29Å
86D91.7Very high90.5Very high118 Ų11860 Ų6063%0.63132%0.317SS*.G310 helixtrans-63.3-34.6179.4-50.1-56.4000111.7T84 F88 S89T84-D86 PolarHBondContact O-N 3.39Å; T84-D86 PolarHBondContact OG1-N 2.96Å; T84-D86 PolarHBondContact OG1-OD2 3.07Å; T84-D86 VanDerWaalsContact OG1-OD2 3.1Å; D86-F88 PolarHBondContact O-N 3.47Å; D86-F88 VanDerWaalsContact O-N 3.11Å; D86-S89 WeakPolarHBondContact O-CB 3.43Å; D86-S89 PolarHBondContact O-N 2.93Å; D86-S89 VanDerWaalsContact O-N 3.11Å; D86-S89 PolarHBondContact O-OG 3.13Å
87N91.7Very high90.6Very high56 Ų5665.9 Ų65.930%0.29934%0.342SS..G310 helixtrans-62.4-17.4178.1-60.5128.9000113.8L60 T84 S85L60-N87 HydrophobicContact CD1-CB 4.17Å; T84-N87 PolarHBondContact N-OD1 3.04Å; T84-N87 WeakPolarHBondContact O-CB 3.32Å; T84-N87 PolarHBondContact O-N 3.42Å; T84-N87 PolarHBondContact O-OD1 3.48Å; S85-N87 VanDerWaalsContact C-N 3.27Å; S85-N87 PolarHBondContact O-N 3.39Å
88F92.7Very high90.8Very high0 Ų057.9 Ų57.90%031%0.307CS..G310 helixtrans-117.17.7179.8-58.7-78.3000112.4L60 S85 D86 Y91 L101 T115 F116 L119L60-F88 HydrophobicContact CD1-CD1 4.46Å; L60-F88 HydrophobicContact CD1-CE1 3.67Å; L60-F88 HydrophobicContact CD1-CE2 4.34Å; L60-F88 HydrophobicContact CD1-CZ 3.59Å; S85-F88 PolarHBondContact O-N 3.12Å; D86-F88 PolarHBondContact O-N 3.47Å; D86-F88 VanDerWaalsContact O-N 3.11Å; F88-Y91 HydrophobicContact CB-CD2 4.4Å; F88-Y91 AromaticContact CD1-CD2 3.91Å; F88-Y91 HydrophobicContact CD1-CD2 3.91Å; F88-Y91 AromaticContact CD1-CE2 3.66Å; F88-Y91 HydrophobicContact CD1-CE2 3.66Å; F88-Y91 HydrophobicContact CE1-CE2 4.26Å; F88-L101 HydrophobicContact CE1-CD2 3.73Å; F88-L101 HydrophobicContact CZ-CD2 3.99Å; F88-T115 HydrophobicContact CD2-CG2 4.12Å; F88-T115 HydrophobicContact CE2-CG2 3.76Å; F88-F116 HydrophobicContact CD2-CD1 4.49Å; F88-F116 AromaticContact CE2-CD1 3.97Å; F88-F116 HydrophobicContact CE2-CD1 3.97Å; F88-F116 AromaticContact CE2-CE1 3.84Å; F88-F116 HydrophobicContact CE2-CE1 3.84Å; F88-F116 HydrophobicContact CZ-CD1 4.13Å; F88-F116 AromaticContact CZ-CE1 3.81Å; F88-F116 HydrophobicContact CZ-CE1 3.81Å; F88-L119 HydrophobicContact CB-CD2 4.21Å; F88-L119 HydrophobicContact CB-CG 4.47Å; F88-L119 HydrophobicContact CD1-CD1 3.8Å; F88-L119 HydrophobicContact CD1-CD2 4.27Å; F88-L119 HydrophobicContact CD1-CG 4.43Å; F88-L119 HydrophobicContact CE1-CD1 4.13Å; F88-L119 HydrophobicContact CG-CD1 4.18Å
89S88.3Confident91Very high41 Ų4159.5 Ų59.529%0.28732%0.315SS..Hα-helixtrans-71.5-36.4-172.464.30000113.6S85 D86 Y91 I92S85-S89 PolarHBondContact O-N 3.18Å; D86-S89 WeakPolarHBondContact O-CB 3.43Å; D86-S89 PolarHBondContact O-N 2.93Å; D86-S89 VanDerWaalsContact O-N 3.11Å; D86-S89 PolarHBondContact O-OG 3.13Å; S89-Y91 VanDerWaalsContact C-N 3.34Å; S89-Y91 PolarHBondContact O-N 2.84Å; S89-I92 PolarHBondContact O-N 3.4Å
90T86.4Confident91.3Very high38 Ų3857.4 Ų57.423%0.23330%0.298CS..Hα-helixtrans-67.5-33178.654.10000112.3D62 I92 Q93 Q94D62-T90 VanDerWaalsContact O-CB 3.24Å; D62-T90 WeakPolarHBondContact O-CB 3.31Å; D62-T90 PolarHBondContact O-OG1 3.39Å; T90-I92 PolarHBondContact O-N 3.38Å; T90-Q93 WeakPolarHBondContact O-CB 3.39Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 3.49Å
91Y90.7Very high91.5Very high2 Ų253.4 Ų53.41%0.00828%0.276CS..Hα-helixtrans-64-32-179.4-55.9-13000111.8P61 L64 M71 F88 S89 Q94 N95 V96 L119P61-Y91 WeakPolarHBondContact O-CE1 3.42Å; P61-Y91 PolarHBondContact O-OH 2.9Å; L64-Y91 HydrophobicContact CB-CD1 4.41Å; L64-Y91 HydrophobicContact CB-CE1 4.43Å; L64-Y91 HydrophobicContact CD1-CD1 3.87Å; L64-Y91 HydrophobicContact CD1-CD2 4Å; L64-Y91 HydrophobicContact CD1-CE1 3.62Å; L64-Y91 HydrophobicContact CD1-CE2 3.72Å; L64-Y91 HydrophobicContact CD1-CG 4.09Å; L64-Y91 HydrophobicContact CG-CD1 3.99Å; L64-Y91 HydrophobicContact CG-CE1 3.6Å; M71-Y91 HydrophobicContact CE-CE2 4.2Å; F88-Y91 HydrophobicContact CB-CD2 4.4Å; F88-Y91 AromaticContact CD1-CD2 3.91Å; F88-Y91 HydrophobicContact CD1-CD2 3.91Å; F88-Y91 AromaticContact CD1-CE2 3.66Å; F88-Y91 HydrophobicContact CD1-CE2 3.66Å; F88-Y91 HydrophobicContact CE1-CE2 4.26Å; S89-Y91 VanDerWaalsContact C-N 3.34Å; S89-Y91 PolarHBondContact O-N 2.84Å; Y91-Q94 CarbonylContact O-C 3.59Å; Y91-Q94 PolarHBondContact O-N 3.15Å; Y91-N95 PolarHBondContact O-N 3.12Å; Y91-N95 VanDerWaalsContact O-N 3.11Å; Y91-V96 PolarHBondContact O-N 2.87Å; Y91-L119 HydrophobicContact CD2-CD2 4.42Å
92I84.4Confident91.7Very high103 Ų10352.1 Ų52.153%0.52827%0.268SS..Hα-helixtrans-64.8-46.7172.3-41.7172.4000110.3S89 T90 Q94 N95 S118S89-I92 PolarHBondContact O-N 3.4Å; T90-I92 PolarHBondContact O-N 3.38Å; I92-Q94 PolarHBondContact O-N 3.44Å; I92-N95 PolarHBondContact O-N 2.85Å; I92-S118 VanDerWaalsContact CD1-CB 3.41Å
93Q84.6Confident91.7Very high162 Ų16250.5 Ų50.576%0.75726%0.258SS*.Hα-helixtrans-65.8-27.6-179.9-57.4173.512.200111.6T90T90-Q93 WeakPolarHBondContact O-CB 3.39Å; T90-Q93 PolarHBondContact O-N 3.37Å
94Q84.6Confident91.6Very high59 Ų5954.7 Ų54.728%0.27627%0.273SS..THydrogen-bonded Turntrans-890.7174.9-69.6164.3-5.500113.4L64 T90 Y91 I92 V96L64-Q94 PolarHBondContact O-OE1 3.42Å; T90-Q94 WeakPolarHBondContact O-CG 3.3Å; T90-Q94 PolarHBondContact O-N 3.49Å; Y91-Q94 CarbonylContact O-C 3.59Å; Y91-Q94 PolarHBondContact O-N 3.15Å; I92-Q94 PolarHBondContact O-N 3.44Å; Q94-V96 HydrophobicContact CB-CG2 3.67Å; Q94-V96 PolarHBondContact O-N 2.93Å
95N88.1Confident91.6Very high120 Ų12057.8 Ų57.864%0.64229%0.289SS*.THydrogen-bonded Turntrans56.230.3-179.4-168.537.5000114Y91 I92 K97Y91-N95 PolarHBondContact O-N 3.12Å; Y91-N95 VanDerWaalsContact O-N 3.11Å; I92-N95 PolarHBondContact O-N 2.85Å; N95-K97 PolarHBondContact O-N 3.34Å
96V89.8Confident91.7Very high17 Ų1755.5 Ų55.510%0.10327%0.273CS..  trans-75.3123.3-175.9179.70000110.1L64 I68 Y91 Q94 L98L64-V96 HydrophobicContact CB-CG1 4.43Å; L64-V96 HydrophobicContact CB-CG2 4.14Å; L64-V96 HydrophobicContact CD1-CG1 4.41Å; I68-V96 WeakPolarHBondContact O-CG1 3.3Å; Y91-V96 PolarHBondContact O-N 2.87Å; Q94-V96 HydrophobicContact CB-CG2 3.67Å; Q94-V96 PolarHBondContact O-N 2.93Å; V96-L98 PolarHBondContact O-N 3.47Å
97K91.2Very high91.8Very high125 Ų12550.7 Ų50.754%0.54325%0.251SS..  trans-97.864.9-178.6-65-176.8-177.4176.50111.5N95 Q99N95-K97 PolarHBondContact O-N 3.34Å; K97-Q99 PolarHBondContact O-N 3.33Å
98L94.5Very high92Very high3 Ų348 Ų482%0.01624%0.237CC..  trans-64.5118.8-179.6-163.774.1000110.9I68 M71 V96 L101 S121 L122I68-L98 HydrophobicContact CG2-CD1 4.37Å; M71-L98 HydrophobicContact CB-CD1 3.94Å; V96-L98 PolarHBondContact O-N 3.47Å; L98-L101 HydrophobicContact CD2-CB 4.05Å; L98-L101 HydrophobicContact CD2-CD1 4.25Å; L98-L101 HydrophobicContact CD2-CD2 4.47Å; L98-L101 HydrophobicContact CD2-CG 4.49Å; L98-S121 CarbonylContact O-C 3.44Å; L98-L122 HydrophobicContact CD2-CD1 4.46Å; L98-L122 HydrophobicContact CG-CD1 4.49Å; L98-L122 VanDerWaalsContact O-CA 3.32Å; L98-L122 WeakPolarHBondContact O-CA 3.42Å; L98-L122 PolarHBondContact O-N 2.85Å; L98-L122 VanDerWaalsContact O-N 3.17Å
99Q95.6Very high92.2Very high50 Ų5052 Ų5223%0.23426%0.256CS..  trans-97.4-33.4177-67.1169.41.100112.7Q69 K97 S121 Q123 Q124Q69-Q99 HydrophobicContact CB-CG 4.4Å; Q69-Q99 WeakPolarHBondContact O-CA 3.31Å; Q69-Q99 WeakPolarHBondContact O-CB 3.45Å; Q69-Q99 PolarHBondContact O-N 3.42Å; K97-Q99 PolarHBondContact O-N 3.33Å; Q99-S121 WeakPolarHBondContact CA-O 3.38Å; Q99-Q123 PolarHBondContact O-N 3.21Å; Q99-Q124 PolarHBondContact O-N 3.34Å
100R96.7Very high92.6Very high87 Ų8752.2 Ų52.233%0.32826%0.257SS..EExtended strand (participates in β ladder)trans-128.9129.3-176.5-57.4-173.3-72.2-79.46.1111Q69 S70 M71 Q124Q69-R100 PolarHBondContact O-N 2.87Å; S70-R100 WeakPolarHBondContact CA-O 3.43Å; S70-R100 PolarHBondContact OG-NE 2.87Å; M71-R100 PolarHBondContact N-O 2.87Å; R100-Q124 WeakPolarHBondContact CA-O 3.38Å; R100-Q124 HydrophobicContact CB-CB 4.41Å; R100-Q124 HydrophobicContact CG-CB 4.03Å; R100-Q124 HydrophobicContact CG-CG 4.15Å
101L96.8Very high93.1Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-132.9110.2177.8178.356.5000110M71 F88 L98 L103 F116 L119 L122 Q124 L125 D126M71-L101 HydrophobicContact CB-CD1 4.4Å; M71-L101 HydrophobicContact CE-CD1 3.56Å; M71-L101 WeakPolarHBondContact O-CA 3.38Å; F88-L101 HydrophobicContact CE1-CD2 3.73Å; F88-L101 HydrophobicContact CZ-CD2 3.99Å; L98-L101 HydrophobicContact CD2-CB 4.05Å; L98-L101 HydrophobicContact CD2-CD1 4.25Å; L98-L101 HydrophobicContact CD2-CD2 4.47Å; L98-L101 HydrophobicContact CD2-CG 4.49Å; L101-L103 HydrophobicContact CD1-CD1 4.13Å; L101-L103 HydrophobicContact CD1-CD2 3.8Å; L101-L103 HydrophobicContact CD1-CG 3.78Å; L101-L103 HydrophobicContact CD2-CD1 4.32Å; L101-L103 HydrophobicContact CG-CD1 4.25Å; L101-L103 HydrophobicContact CG-CG 4.09Å; L101-F116 HydrophobicContact CD2-CD1 4.34Å; L101-F116 HydrophobicContact CD2-CE1 4.08Å; L101-L119 HydrophobicContact CD2-CD1 4.08Å; L101-L122 HydrophobicContact CB-CD1 3.66Å; L101-Q124 PolarHBondContact N-O 2.77Å; L101-L125 HydrophobicContact CB-CD1 4.07Å; L101-L125 HydrophobicContact CD2-CD1 3.96Å; L101-L125 HydrophobicContact CG-CD1 3.97Å; L101-L125 WeakPolarHBondContact O-CA 3.32Å; L101-D126 PolarHBondContact O-N 3.34Å
102T96.9Very high93.4Very high13 Ų1354.8 Ų54.88%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-113.7120.6174.3-63.40000109.1M71 I72 L73 R104 D126M71-T102 PolarHBondContact O-N 2.87Å; I72-T102 HydrophobicContact CG2-CG2 4.16Å; L73-T102 PolarHBondContact N-O 3.41Å; T102-R104 HydrophobicContact CG2-CB 4.08Å; T102-D126 WeakPolarHBondContact CA-O 3.49Å; T102-D126 HydrophobicContact CG2-CB 4.05Å
103L96Very high93.9Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-126.959.3179.7-59.9179.5000109.5L60 L73 F78 L83 L101 I108 D126 L127 N130L60-L103 HydrophobicContact CD2-CD1 4.36Å; L60-L103 HydrophobicContact CD2-CD2 3.6Å; L73-L103 HydrophobicContact CB-CD2 4.01Å; L73-L103 HydrophobicContact CD1-CD2 3.72Å; L73-L103 HydrophobicContact CG-CD2 4.06Å; L73-L103 CarbonylContact O-C 3.59Å; L73-L103 WeakPolarHBondContact O-CA 3.42Å; F78-L103 HydrophobicContact CZ-CD2 4.42Å; L83-L103 HydrophobicContact CD1-CD1 3.9Å; L101-L103 HydrophobicContact CD1-CD1 4.13Å; L101-L103 HydrophobicContact CD1-CD2 3.8Å; L101-L103 HydrophobicContact CD1-CG 3.78Å; L101-L103 HydrophobicContact CD2-CD1 4.32Å; L101-L103 HydrophobicContact CG-CD1 4.25Å; L101-L103 HydrophobicContact CG-CG 4.09Å; L103-I108 HydrophobicContact CB-CD1 3.99Å; L103-I108 HydrophobicContact CD1-CD1 4.21Å; L103-D126 PolarHBondContact N-O 3.1Å; L103-L127 HydrophobicContact CB-CD2 4.27Å; L103-L127 HydrophobicContact CD1-CD2 4.3Å; L103-N130 PolarHBondContact O-ND2 2.82Å
104R95.3Very high94.3Very high91 Ų9149.9 Ų49.934%0.34324%0.242SC..EExtended strand (participates in β ladder)trans-85.4130.9-168.7179.9173.7176.1-1260.6111.5L73 M74 G75 T102 C106 S128 Q129L73-R104 PolarHBondContact O-N 2.04Å; M74-R104 WeakPolarHBondContact CA-O 3.27Å; M74-R104 HydrophobicContact CG-CB 4.17Å; G75-R104 PolarHBondContact N-O 3.4Å; T102-R104 HydrophobicContact CG2-CB 4.08Å; R104-C106 VanDerWaalsContact C-N 3.28Å; R104-C106 PolarHBondContact O-N 2.87Å; R104-S128 WeakPolarHBondContact CA-O 3.25Å; R104-S128 WeakPolarHBondContact CD-OG 3.4Å; R104-S128 WeakPolarHBondContact CG-OG 3.16Å; R104-Q129 HydrophobicContact CG-CB 4.21Å; R104-Q129 HydrophobicContact CG-CG 4.42Å; R104-Q129 VanDerWaalsContact NH2-CD 3.32Å
105N94.7Very high94.9Very high81 Ų8147 Ų4743%0.43323%0.228SC..THydrogen-bonded Turntrans52.844-176.2-170.618.8000112.9G75 S128 Q129G75-N105 CarbonylContact C-O 2.94Å; G75-N105 WeakPolarHBondContact CA-O 3.48Å; N105-S128 PolarHBondContact N-O 3.38Å; N105-S128 VanDerWaalsContact N-O 3.09Å; N105-Q129 WeakPolarHBondContact CA-O 3.41Å; N105-Q129 HydrophobicContact CB-CB 4.02Å
106C94.6Very high95.2Very high0 Ų041.3 Ų41.30%020%0.198CC..SBendtrans-90.4-1.2177.9-76.70000113.8H76 F78 R104 I108 N130H76-C106 CarbonylContact O-C 3.56Å; H76-C106 WeakPolarHBondContact O-CA 3.25Å; H76-C106 WeakPolarHBondContact O-CB 3.44Å; F78-C106 HydrophobicContact CD2-CB 4.14Å; F78-C106 HydrophobicContact CE2-CB 3.92Å; F78-C106 HydrophobicContact CZ-CB 4.18Å; F78-C106 PolarHBondContact N-O 3.47Å; F78-C106 VanDerWaalsContact N-O 3.1Å; R104-C106 VanDerWaalsContact C-N 3.28Å; R104-C106 PolarHBondContact O-N 2.87Å; C106-I108 VanDerWaalsContact C-N 3.31Å; C106-I108 HydrophobicContact CB-CD1 3.93Å; C106-I108 HydrophobicContact CB-CG1 4.06Å; C106-I108 PolarHBondContact O-N 3.34Å; C106-N130 PolarHBondContact N-OD1 2.9Å
107G93.7Very high95.4Very high16 Ų1643.9 Ų43.917%0.16521%0.209CC..  trans76.513.8-179.200000114.7N130G107-N130 PolarHBondContact N-OD1 2.9Å; G107-N130 VanDerWaalsContact N-OD1 3.09Å
108I96.4Very high95.3Very high0 Ų039.6 Ų39.60%020%0.195CC..  trans-62.1134.5178.5-58.5156.7000109.4F78 L83 L103 C106 I111 L127 N130 R131 I132F78-I108 HydrophobicContact CD2-CG1 4.44Å; L83-I108 HydrophobicContact CD1-CD1 3.82Å; L83-I108 HydrophobicContact CD1-CG1 4.43Å; L83-I108 HydrophobicContact CD1-CG2 4.35Å; L83-I108 HydrophobicContact CG-CD1 4.26Å; L83-I108 HydrophobicContact CG-CG1 4.35Å; L83-I108 HydrophobicContact CG-CG2 4.15Å; L103-I108 HydrophobicContact CB-CD1 3.99Å; L103-I108 HydrophobicContact CD1-CD1 4.21Å; C106-I108 VanDerWaalsContact C-N 3.31Å; C106-I108 HydrophobicContact CB-CD1 3.93Å; C106-I108 HydrophobicContact CB-CG1 4.06Å; C106-I108 PolarHBondContact O-N 3.34Å; I108-I111 HydrophobicContact CG2-CG1 4.16Å; I108-L127 HydrophobicContact CD1-CD2 4.28Å; I108-N130 HydrophobicContact CB-CB 4.2Å; I108-N130 PolarHBondContact N-OD1 2.86Å; I108-N130 VanDerWaalsContact N-OD1 3.09Å; I108-R131 CarbonylContact O-C 3.6Å; I108-R131 WeakPolarHBondContact O-CA 3.44Å; I108-R131 PolarHBondContact O-N 3.27Å; I108-I132 HydrophobicContact CB-CG1 4.48Å; I108-I132 HydrophobicContact CG2-CD1 4.44Å; I108-I132 HydrophobicContact CG2-CG1 4.05Å; I108-I132 PolarHBondContact O-N 3.25Å
109Q96.3Very high95.3Very high84 Ų8440 Ų4039%0.39320%0.196SC..  trans-117.8-23.4-178.4-69.4172.46300113.5P81 R131 I132 K133P81-Q109 HydrophobicContact CB-CB 4.05Å; P81-Q109 HydrophobicContact CB-CG 4Å; P81-Q109 PolarHBondContact O-N 2.78Å; Q109-R131 WeakPolarHBondContact CA-O 3.49Å; Q109-R131 HydrophobicContact CG-CB 3.9Å; Q109-I132 WeakPolarHBondContact O-CA 3.34Å; Q109-K133 PolarHBondContact O-N 3.29Å
110S96.7Very high95.1Very high46 Ų4645.8 Ų45.832%0.32222%0.221SC..EExtended strand (participates in β ladder)trans-151.6157.8175.670.30000112.2P81 T82 L83P81-S110 PolarHBondContact O-N 3.28Å; T82-S110 WeakPolarHBondContact CA-O 3.37Å; T82-S110 WeakPolarHBondContact CG2-OG 3.3Å; T82-S110 PolarHBondContact OG1-OG 2.87Å; L83-S110 PolarHBondContact N-O 3.4Å; L83-S110 VanDerWaalsContact N-O 3.12Å
111I97.6Very high95Very high1 Ų144.1 Ų44.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-136.2127.1178.6-53.7-179.8000106.9L83 I108 T115 F116 L127 I132 T139L83-I111 HydrophobicContact CB-CG1 4.45Å; L83-I111 HydrophobicContact CB-CG2 4.33Å; L83-I111 HydrophobicContact CD1-CG1 4.46Å; I108-I111 HydrophobicContact CG2-CG1 4.16Å; I111-T115 HydrophobicContact CG2-CG2 3.87Å; I111-F116 HydrophobicContact CD1-CE2 4.24Å; I111-F116 HydrophobicContact CD1-CZ 4.24Å; I111-F116 HydrophobicContact CG2-CE2 3.78Å; I111-F116 HydrophobicContact CG2-CZ 4.16Å; I111-L127 HydrophobicContact CD1-CD1 3.68Å; I111-L127 HydrophobicContact CD1-CD2 4.25Å; I111-I132 HydrophobicContact CD1-CD1 3.78Å; I111-I132 HydrophobicContact CD1-CG1 4.46Å; I111-I132 HydrophobicContact CG1-CD1 4.43Å; I111-T139 HydrophobicContact CB-CG2 4.11Å; I111-T139 HydrophobicContact CG2-CG2 3.61Å
112Q96Very high95Very high93 Ų9344.2 Ų44.244%0.43522%0.223SC..  trans-74.3156.4179.1-65.5-175.4-10.900111.8T82 L83 T84 T115T82-Q112 HydrophobicContact CG2-CG 4.21Å; L83-Q112 PolarHBondContact O-N 2.84Å; T84-Q112 HydrophobicContact CG2-CG 4.24Å; Q112-T115 PolarHBondContact N-OG1 3.25Å; Q112-T115 WeakPolarHBondContact O-CB 3.49Å; Q112-T115 PolarHBondContact O-N 2.82Å; Q112-T115 PolarHBondContact O-OG1 2.87Å
113S95Very high95.1Very high46 Ų4647.1 Ų47.132%0.32224%0.236SC..THydrogen-bonded Turntrans-53140.3167-540000110.5T115 K137S113-T115 PolarHBondContact O-N 3.33Å; S113-K137 WeakPolarHBondContact CB-O 3.36Å; S113-K137 PolarHBondContact OG-O 3.37Å
114R94.5Very high95.1Very high115 Ų11550.8 Ų50.843%0.43425%0.253SS..THydrogen-bonded Turntrans59.513.8-178-65.3178.3-78-926.6117S85 F116 Q117 G138 E141S85-R114 PolarHBondContact OG-O 3.39Å; R114-F116 PolarHBondContact O-N 3.47Å; R114-F116 VanDerWaalsContact O-N 3.11Å; R114-Q117 HydrophobicContact CB-CB 3.92Å; R114-Q117 VanDerWaalsContact CD-OE1 3.23Å; R114-Q117 HydrophobicContact CG-CB 4.31Å; R114-Q117 WeakPolarHBondContact O-CB 3.39Å; R114-Q117 PolarHBondContact O-N 2.82Å; R114-Q117 VanDerWaalsContact O-N 3.07Å; R114-G138 PolarHBondContact N-O 3.38Å; R114-E141 WeakPolarHBondContact CD-OE1 3.36Å; R114-E141 WeakPolarHBondContact CD-OE2 3.42Å; R114-E141 HydrophobicContact CG-CB 4Å; R114-E141 VanDerWaalsContact CG-CD 3.49Å; R114-E141 HydrophobicContact CG-CG 4.3Å; R114-E141 VanDerWaalsContact CG-OE2 3.22Å; R114-E141 WeakPolarHBondContact CG-OE2 3.2Å; R114-E141 IonicContact CZ-OE2 3.76Å; R114-E141 IonicContact NE-OE2 4Å; R114-E141 IonicContact NH1-OE1 3.65Å; R114-E141 IonicContact NH1-OE2 2.77Å; R114-E141 PolarHBondContact NH1-OE2 3.4Å
115T95.9Very high95.3Very high0 Ų046.5 Ų46.50%024%0.236CC..THydrogen-bonded Turntrans-48.8-41.7176-70.30000113.1L83 S85 F88 I111 Q112 S113L83-T115 HydrophobicContact CB-CG2 3.77Å; L83-T115 PolarHBondContact O-OG1 3.47Å; L83-T115 VanDerWaalsContact O-OG1 3.08Å; S85-T115 WeakPolarHBondContact CA-O 3.41Å; S85-T115 WeakPolarHBondContact OG-CA 3.29Å; F88-T115 HydrophobicContact CD2-CG2 4.12Å; F88-T115 HydrophobicContact CE2-CG2 3.76Å; I111-T115 HydrophobicContact CG2-CG2 3.87Å; Q112-T115 PolarHBondContact N-OG1 3.25Å; Q112-T115 WeakPolarHBondContact O-CB 3.49Å; Q112-T115 PolarHBondContact O-N 2.82Å; Q112-T115 PolarHBondContact O-OG1 2.87Å; S113-T115 PolarHBondContact O-N 3.33Å
116F95.7Very high95.4Very high0 Ų042.8 Ų42.80%022%0.217CC..THydrogen-bonded Turntrans-992.7-176.9-53.1-68.6000114.4L83 F88 L101 I111 R114 S118 L119 L125 L127 T139 F140 L143L83-F116 HydrophobicContact CD1-CE1 4.32Å; L83-F116 HydrophobicContact CD1-CZ 4.07Å; F88-F116 HydrophobicContact CD2-CD1 4.49Å; F88-F116 AromaticContact CE2-CD1 3.97Å; F88-F116 HydrophobicContact CE2-CD1 3.97Å; F88-F116 AromaticContact CE2-CE1 3.84Å; F88-F116 HydrophobicContact CE2-CE1 3.84Å; F88-F116 HydrophobicContact CZ-CD1 4.13Å; F88-F116 AromaticContact CZ-CE1 3.81Å; F88-F116 HydrophobicContact CZ-CE1 3.81Å; L101-F116 HydrophobicContact CD2-CD1 4.34Å; L101-F116 HydrophobicContact CD2-CE1 4.08Å; I111-F116 HydrophobicContact CD1-CE2 4.24Å; I111-F116 HydrophobicContact CD1-CZ 4.24Å; I111-F116 HydrophobicContact CG2-CE2 3.78Å; I111-F116 HydrophobicContact CG2-CZ 4.16Å; R114-F116 PolarHBondContact O-N 3.47Å; R114-F116 VanDerWaalsContact O-N 3.11Å; F116-S118 PolarHBondContact O-N 3.38Å; F116-L119 HydrophobicContact CD1-CD1 4.09Å; F116-L119 WeakPolarHBondContact O-CB 3.31Å; F116-L119 PolarHBondContact O-N 3.41Å; F116-L125 HydrophobicContact CD2-CD2 3.95Å; F116-L125 HydrophobicContact CE1-CD1 4.34Å; F116-L125 HydrophobicContact CE1-CD2 4.4Å; F116-L125 HydrophobicContact CE2-CD2 3.81Å; F116-L125 HydrophobicContact CG-CD2 4.3Å; F116-L125 HydrophobicContact CZ-CD1 4.36Å; F116-L125 HydrophobicContact CZ-CD2 4.06Å; F116-L127 HydrophobicContact CE2-CD1 4.33Å; F116-L127 HydrophobicContact CZ-CD1 4.2Å; F116-L127 HydrophobicContact CZ-CD2 4.39Å; F116-T139 HydrophobicContact CE2-CG2 4.35Å; F116-F140 AromaticContact CD2-CD1 3.95Å; F116-F140 HydrophobicContact CD2-CD1 3.95Å; F116-F140 HydrophobicContact CD2-CE1 4.08Å; F116-F140 HydrophobicContact CE2-CD1 4.27Å; F116-F140 AromaticContact CE2-CE1 3.92Å; F116-F140 HydrophobicContact CE2-CE1 3.92Å; F116-L143 HydrophobicContact CB-CD1 3.78Å; F116-L143 HydrophobicContact CB-CD2 4.45Å; F116-L143 HydrophobicContact CB-CG 4.4Å
117Q92.7Very high95.6Very high71 Ų7142.8 Ų42.833%0.33222%0.217SC..THydrogen-bonded Turntrans-59.8-22.7-171.6178.1170.579.600114.1R114 E141R114-Q117 HydrophobicContact CB-CB 3.92Å; R114-Q117 VanDerWaalsContact CD-OE1 3.23Å; R114-Q117 HydrophobicContact CG-CB 4.31Å; R114-Q117 WeakPolarHBondContact O-CB 3.39Å; R114-Q117 PolarHBondContact O-N 2.82Å; R114-Q117 VanDerWaalsContact O-N 3.07Å; Q117-E141 PolarHBondContact NE2-O 3.19Å; Q117-E141 PolarHBondContact NE2-OE1 3.16Å
118S90.2Very high95.8Very high35 Ų3542.2 Ų42.225%0.24521%0.21CC..THydrogen-bonded Turntrans-69.8-30.7173.448.60000113.8I92 F116 K120I92-S118 VanDerWaalsContact CD1-CB 3.41Å; F116-S118 PolarHBondContact O-N 3.38Å; S118-K120 PolarHBondContact O-N 2.89Å
119L94.3Very high95.8Very high10 Ų1044.7 Ų44.75%0.05222%0.222CC..  trans-84.257.2-170.1-54.6-179.9000111.8F88 Y91 L101 F116 S121 L122 L143F88-L119 HydrophobicContact CB-CD2 4.21Å; F88-L119 HydrophobicContact CB-CG 4.47Å; F88-L119 HydrophobicContact CD1-CD1 3.8Å; F88-L119 HydrophobicContact CD1-CD2 4.27Å; F88-L119 HydrophobicContact CD1-CG 4.43Å; F88-L119 HydrophobicContact CE1-CD1 4.13Å; F88-L119 HydrophobicContact CG-CD1 4.18Å; Y91-L119 HydrophobicContact CD2-CD2 4.42Å; L101-L119 HydrophobicContact CD2-CD1 4.08Å; F116-L119 HydrophobicContact CD1-CD1 4.09Å; F116-L119 WeakPolarHBondContact O-CB 3.31Å; F116-L119 PolarHBondContact O-N 3.41Å; L119-S121 PolarHBondContact O-N 3.49Å; L119-L122 HydrophobicContact CB-CB 3.96Å; L119-L122 HydrophobicContact CB-CD2 4.37Å; L119-L122 HydrophobicContact CD1-CD2 4.16Å; L119-L122 WeakPolarHBondContact O-CB 3.34Å; L119-L122 PolarHBondContact O-N 3.44Å; L119-L143 WeakPolarHBondContact O-CD2 3.47Å
120K91.9Very high95.8Very high173 Ų17340.9 Ų40.975%0.75220%0.204SC*.THydrogen-bonded Turntrans-62.9-10.2-173.4-64.1-176.5179.4-178.20115.8S118S118-K120 PolarHBondContact O-N 2.89Å
121S94.6Very high95.8Very high51 Ų5146.7 Ų46.736%0.35722%0.219SC..THydrogen-bonded Turntrans-97.9-1.8173.8-610000113.4L98 Q99 L119 Q123L98-S121 CarbonylContact O-C 3.44Å; Q99-S121 WeakPolarHBondContact CA-O 3.38Å; L119-S121 PolarHBondContact O-N 3.49Å; S121-Q123 PolarHBondContact O-N 2.88Å
122L97Very high95.8Very high2 Ų246.6 Ų46.61%0.0122%0.219CC..  trans-72.3121.8-174.6-168.773.2000110.8L98 L101 L119 L125 L143 L145L98-L122 HydrophobicContact CD2-CD1 4.46Å; L98-L122 HydrophobicContact CG-CD1 4.49Å; L98-L122 VanDerWaalsContact O-CA 3.32Å; L98-L122 WeakPolarHBondContact O-CA 3.42Å; L98-L122 PolarHBondContact O-N 2.85Å; L98-L122 VanDerWaalsContact O-N 3.17Å; L101-L122 HydrophobicContact CB-CD1 3.66Å; L119-L122 HydrophobicContact CB-CB 3.96Å; L119-L122 HydrophobicContact CB-CD2 4.37Å; L119-L122 HydrophobicContact CD1-CD2 4.16Å; L119-L122 WeakPolarHBondContact O-CB 3.34Å; L119-L122 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD2-CB 4.2Å; L122-L125 HydrophobicContact CD2-CD1 4.45Å; L122-L125 HydrophobicContact CD2-CD2 4.26Å; L122-L143 HydrophobicContact CB-CD2 4.33Å; L122-L143 HydrophobicContact CD2-CD1 4.25Å; L122-L145 HydrophobicContact CD2-CD2 4.23Å; L122-L145 HydrophobicContact CG-CD2 4.06Å; L122-L145 WeakPolarHBondContact O-CD2 3.44Å
123Q97.3Very high95.8Very high75 Ų7548.5 Ų48.535%0.3523%0.225SC..  trans-108.9-32.5179.6-68177.6-81.400112.1Q99 S121 L145 D146 F147Q99-Q123 PolarHBondContact O-N 3.21Å; S121-Q123 PolarHBondContact O-N 2.88Å; Q123-L145 CarbonylContact O-C 3.45Å; Q123-L145 WeakPolarHBondContact O-CA 3.43Å; Q123-D146 WeakPolarHBondContact CB-OD2 3.22Å; Q123-D146 PolarHBondContact NE2-OD2 2.83Å; Q123-D146 PolarHBondContact O-N 3.32Å; Q123-F147 PolarHBondContact O-N 2.87Å
124Q97.8Very high95.8Very high77 Ų7748.5 Ų48.536%0.3622%0.223SC..EExtended strand (participates in β ladder)trans-129125.3-176.9-52-179-3.800110.4Q99 R100 L101 F147Q99-Q124 PolarHBondContact O-N 3.34Å; R100-Q124 WeakPolarHBondContact CA-O 3.38Å; R100-Q124 HydrophobicContact CB-CB 4.41Å; R100-Q124 HydrophobicContact CG-CB 4.03Å; R100-Q124 HydrophobicContact CG-CG 4.15Å; L101-Q124 PolarHBondContact N-O 2.77Å; Q124-F147 WeakPolarHBondContact CA-O 3.04Å; Q124-F147 HydrophobicContact CB-CB 4.27Å; Q124-F147 HydrophobicContact CG-CB 4.12Å
125L98.1Very high96Very high0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans-129.1115.5178.8179.853.4000109.9L101 F116 L122 L127 F140 L145 F147 L148 R149L101-L125 HydrophobicContact CB-CD1 4.07Å; L101-L125 HydrophobicContact CD2-CD1 3.96Å; L101-L125 HydrophobicContact CG-CD1 3.97Å; L101-L125 WeakPolarHBondContact O-CA 3.32Å; F116-L125 HydrophobicContact CD2-CD2 3.95Å; F116-L125 HydrophobicContact CE1-CD1 4.34Å; F116-L125 HydrophobicContact CE1-CD2 4.4Å; F116-L125 HydrophobicContact CE2-CD2 3.81Å; F116-L125 HydrophobicContact CG-CD2 4.3Å; F116-L125 HydrophobicContact CZ-CD1 4.36Å; F116-L125 HydrophobicContact CZ-CD2 4.06Å; L122-L125 HydrophobicContact CD2-CB 4.2Å; L122-L125 HydrophobicContact CD2-CD1 4.45Å; L122-L125 HydrophobicContact CD2-CD2 4.26Å; L125-L127 HydrophobicContact CD1-CD1 4.14Å; L125-L127 HydrophobicContact CD1-CD2 4.26Å; L125-L127 HydrophobicContact CD1-CG 3.93Å; L125-L127 HydrophobicContact CD2-CD1 4.04Å; L125-L127 HydrophobicContact CG-CD1 3.93Å; L125-L127 HydrophobicContact CG-CG 4.1Å; L125-F140 HydrophobicContact CD2-CD1 4.02Å; L125-F140 HydrophobicContact CD2-CE1 3.69Å; L125-L145 HydrophobicContact CB-CD1 4.27Å; L125-L145 HydrophobicContact CB-CD2 4.15Å; L125-F147 PolarHBondContact N-O 2.9Å; L125-L148 HydrophobicContact CB-CD1 3.93Å; L125-L148 HydrophobicContact CD2-CD1 3.94Å; L125-L148 HydrophobicContact CG-CD1 3.83Å; L125-L148 WeakPolarHBondContact O-CA 3.06Å; L125-R149 PolarHBondContact O-N 3.48Å
126D98.1Very high96Very high4 Ų445.7 Ų45.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-116.3112177.6-166.4-28.9000110L101 T102 L103 S128 R149L101-D126 PolarHBondContact O-N 3.34Å; T102-D126 WeakPolarHBondContact CA-O 3.49Å; T102-D126 HydrophobicContact CG2-CB 4.05Å; L103-D126 PolarHBondContact N-O 3.1Å; D126-S128 VanDerWaalsContact OD1-CB 3.24Å; D126-S128 WeakPolarHBondContact OD1-CB 3.49Å; D126-S128 PolarHBondContact OD1-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 2.83Å; D126-R149 HydrophobicContact CB-CB 4.39Å; D126-R149 WeakPolarHBondContact OD1-CD 3.43Å; D126-R149 WeakPolarHBondContact OD2-CD 3.18Å; D126-R149 IonicContact OD2-CZ 3.51Å; D126-R149 IonicContact OD2-NE 3.77Å; D126-R149 IonicContact OD2-NH1 3.85Å; D126-R149 PolarHBondContact OD2-NH1 3.48Å
127L97.6Very high96.1Very high0 Ų051.5 Ų51.50%024%0.242CC..  trans-116.222.5-179.5-66.6161.9000110.9L83 L103 I108 I111 F116 L125 N130 I132 F140 R149 L150 N153L83-L127 HydrophobicContact CD1-CD2 4.36Å; L103-L127 HydrophobicContact CB-CD2 4.27Å; L103-L127 HydrophobicContact CD1-CD2 4.3Å; I108-L127 HydrophobicContact CD1-CD2 4.28Å; I111-L127 HydrophobicContact CD1-CD1 3.68Å; I111-L127 HydrophobicContact CD1-CD2 4.25Å; F116-L127 HydrophobicContact CE2-CD1 4.33Å; F116-L127 HydrophobicContact CZ-CD1 4.2Å; F116-L127 HydrophobicContact CZ-CD2 4.39Å; L125-L127 HydrophobicContact CD1-CD1 4.14Å; L125-L127 HydrophobicContact CD1-CD2 4.26Å; L125-L127 HydrophobicContact CD1-CG 3.93Å; L125-L127 HydrophobicContact CD2-CD1 4.04Å; L125-L127 HydrophobicContact CG-CD1 3.93Å; L125-L127 HydrophobicContact CG-CG 4.1Å; L127-N130 PolarHBondContact O-ND2 3.18Å; L127-I132 HydrophobicContact CB-CD1 4.02Å; L127-F140 HydrophobicContact CD1-CE1 4.41Å; L127-R149 PolarHBondContact N-O 3.27Å; L127-L150 HydrophobicContact CB-CD2 4.12Å; L127-L150 HydrophobicContact CD1-CD2 4Å; L127-N153 PolarHBondContact O-ND2 2.86Å
128S97.4Very high96.1Very high3 Ų348.3 Ų48.32%0.02123%0.228CC..THydrogen-bonded Turntrans-63.8159.1-176.154.40000114.5R104 N105 D126 N130 D151R104-S128 WeakPolarHBondContact CA-O 3.25Å; R104-S128 WeakPolarHBondContact CD-OG 3.4Å; R104-S128 WeakPolarHBondContact CG-OG 3.16Å; N105-S128 PolarHBondContact N-O 3.38Å; N105-S128 VanDerWaalsContact N-O 3.09Å; D126-S128 VanDerWaalsContact OD1-CB 3.24Å; D126-S128 WeakPolarHBondContact OD1-CB 3.49Å; D126-S128 PolarHBondContact OD1-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 2.83Å; S128-N130 PolarHBondContact O-N 3.37Å; S128-N130 VanDerWaalsContact O-N 3.08Å; S128-N130 PolarHBondContact O-ND2 3.13Å; S128-D151 CarbonylContact C-O 3.47Å; S128-D151 WeakPolarHBondContact CA-O 3.41Å; S128-D151 WeakPolarHBondContact CB-O 3.37Å
129Q96.7Very high96.4Very high52 Ų5246.6 Ų46.624%0.24322%0.216CC..THydrogen-bonded Turntrans57.822.8176.8-60.2-172.9-21.100114.6R104 N105 D151 E152R104-Q129 HydrophobicContact CG-CB 4.21Å; R104-Q129 HydrophobicContact CG-CG 4.42Å; R104-Q129 VanDerWaalsContact NH2-CD 3.32Å; N105-Q129 WeakPolarHBondContact CA-O 3.41Å; N105-Q129 HydrophobicContact CB-CB 4.02Å; Q129-D151 PolarHBondContact N-O 3.3Å; Q129-E152 HydrophobicContact CG-CB 3.88Å; Q129-E152 VanDerWaalsContact CG-CD 3.42Å; Q129-E152 HydrophobicContact CG-CG 4.27Å; Q129-E152 VanDerWaalsContact CG-OE1 3.26Å; Q129-E152 WeakPolarHBondContact CG-OE1 3.37Å; Q129-E152 WeakPolarHBondContact CG-OE2 3.42Å; Q129-E152 PolarHBondContact NE2-OE1 2.93Å; Q129-E152 PolarHBondContact NE2-OE2 2.92Å
130N97.3Very high96.6Very high5 Ų546.1 Ų46.13%0.02721%0.214CC..SBendtrans-91.4-166.8171.7-76.2-70.8000110.6L103 C106 G107 I108 L127 S128 I132 N153L103-N130 PolarHBondContact O-ND2 2.82Å; C106-N130 PolarHBondContact N-OD1 2.9Å; G107-N130 PolarHBondContact N-OD1 2.9Å; G107-N130 VanDerWaalsContact N-OD1 3.09Å; I108-N130 HydrophobicContact CB-CB 4.2Å; I108-N130 PolarHBondContact N-OD1 2.86Å; I108-N130 VanDerWaalsContact N-OD1 3.09Å; L127-N130 PolarHBondContact O-ND2 3.18Å; S128-N130 PolarHBondContact O-N 3.37Å; S128-N130 VanDerWaalsContact O-N 3.08Å; S128-N130 PolarHBondContact O-ND2 3.13Å; N130-I132 HydrophobicContact CB-CD1 4.1Å; N130-I132 HydrophobicContact CB-CG1 4.05Å; N130-N153 WeakPolarHBondContact CA-OD1 3.39Å; N130-N153 WeakPolarHBondContact CB-OD1 3.41Å; N130-N153 PolarHBondContact O-OD1 2.89Å
131R96.2Very high96.7Very high167 Ų16740 Ų4063%0.6319%0.188SC*.  trans-123.730.1-176.9-58.6179.2-174.8-165.8-2110.6I108 Q109 K133 N153I108-R131 CarbonylContact O-C 3.6Å; I108-R131 WeakPolarHBondContact O-CA 3.44Å; I108-R131 PolarHBondContact O-N 3.27Å; Q109-R131 WeakPolarHBondContact CA-O 3.49Å; Q109-R131 HydrophobicContact CG-CB 3.9Å; R131-K133 PolarHBondContact O-N 3.17Å; R131-N153 PolarHBondContact N-OD1 2.83Å
132I97.5Very high96.6Very high0 Ų039.3 Ų39.30%019%0.189CC..  trans-67.2114.5-175.2-59.3162.1000108.6I108 Q109 I111 L127 N130 I135 N153 L156I108-I132 HydrophobicContact CB-CG1 4.48Å; I108-I132 HydrophobicContact CG2-CD1 4.44Å; I108-I132 HydrophobicContact CG2-CG1 4.05Å; I108-I132 PolarHBondContact O-N 3.25Å; Q109-I132 WeakPolarHBondContact O-CA 3.34Å; I111-I132 HydrophobicContact CD1-CD1 3.78Å; I111-I132 HydrophobicContact CD1-CG1 4.46Å; I111-I132 HydrophobicContact CG1-CD1 4.43Å; L127-I132 HydrophobicContact CB-CD1 4.02Å; N130-I132 HydrophobicContact CB-CD1 4.1Å; N130-I132 HydrophobicContact CB-CG1 4.05Å; I132-I135 HydrophobicContact CG2-CD1 3.86Å; I132-N153 HydrophobicContact CB-CB 4.45Å; I132-N153 VanDerWaalsContact CB-OD1 3.25Å; I132-N153 WeakPolarHBondContact CB-OD1 3.42Å; I132-N153 VanDerWaalsContact CG1-OD1 3.31Å; I132-N153 WeakPolarHBondContact CG1-OD1 3.49Å; I132-N153 PolarHBondContact N-OD1 2.02Å; I132-L156 HydrophobicContact CB-CD1 4.37Å; I132-L156 HydrophobicContact CG2-CD1 4Å; I132-L156 VanDerWaalsContact O-CD1 3.26Å; I132-L156 WeakPolarHBondContact O-CD1 3.41Å
133K95.3Very high96.6Very high133 Ų13339.3 Ų39.358%0.57819%0.189SC*.  trans-85.1-30.2-176.8-62.8-177.1-177.6175.50113.5Q109 R131 L156 S157Q109-K133 PolarHBondContact O-N 3.29Å; R131-K133 PolarHBondContact O-N 3.17Å; K133-L156 CarbonylContact O-C 3.58Å; K133-S157 PolarHBondContact O-N 2.88Å
134T96.6Very high96.5Very high45 Ų4542.1 Ų42.128%0.27620%0.201SC..EExtended strand (participates in β ladder)trans-146.5132.6-176.5-48.30000110.3L136 S157 E159T134-L136 HydrophobicContact CG2-CD2 3.99Å; T134-S157 CarbonylContact C-O 3.59Å; T134-S157 VanDerWaalsContact CA-O 3.31Å; T134-S157 WeakPolarHBondContact CA-O 3.03Å; T134-E159 HydrophobicContact CG2-CG 3.9Å
135I97.7Very high96.5Very high0 Ų038.5 Ų38.50%019%0.185CC..EExtended strand (participates in β ladder)trans-87.6116.5158.5-49.9-55.4000107.8I132 T139 F140 L150 L156 S157 I158 E159 A162I132-I135 HydrophobicContact CG2-CD1 3.86Å; I135-T139 HydrophobicContact CG2-CG2 4.2Å; I135-F140 HydrophobicContact CG2-CD2 4.31Å; I135-F140 HydrophobicContact CG2-CE2 3.63Å; I135-F140 HydrophobicContact CG2-CZ 4.31Å; I135-L150 HydrophobicContact CD1-CD1 4.03Å; I135-L150 HydrophobicContact CD1-CD2 4.17Å; I135-L150 HydrophobicContact CG1-CD1 3.99Å; I135-L156 HydrophobicContact CD1-CD1 4.06Å; I135-L156 HydrophobicContact CG1-CD1 4.04Å; I135-S157 PolarHBondContact N-O 3.07Å; I135-I158 HydrophobicContact CB-CG2 4.39Å; I135-E159 PolarHBondContact O-N 3.18Å; I135-E159 VanDerWaalsContact O-N 3.08Å; I135-A162 HydrophobicContact CB-CB 4.16Å; I135-A162 HydrophobicContact CG2-CB 3.72Å
136L96.7Very high96.5Very high57 Ų5741.9 Ų41.930%0.29820%0.203SC..PPolyproline II helixtrans-78.5158-178.9-60.1178.5000111.3T134 G138 T139 E159 A162T134-L136 HydrophobicContact CG2-CD2 3.99Å; L136-G138 PolarHBondContact O-N 3.2Å; L136-T139 PolarHBondContact N-OG1 2.85Å; L136-T139 PolarHBondContact O-N 3.11Å; L136-T139 VanDerWaalsContact O-N 3.12Å; L136-T139 PolarHBondContact O-OG1 3.18Å; L136-E159 VanDerWaalsContact CA-OE2 3.31Å; L136-E159 WeakPolarHBondContact CA-OE2 3.28Å; L136-E159 WeakPolarHBondContact CD2-OE1 3.31Å; L136-A162 WeakPolarHBondContact O-CA 3.5Å
137K96.3Very high96.4Very high122 Ų12243.6 Ų43.653%0.5321%0.21SC..THydrogen-bonded Turntrans-50.8126170.2-178.1171.5-178.9172.40111.1S113 T139 E159 G161S113-K137 WeakPolarHBondContact CB-O 3.36Å; S113-K137 PolarHBondContact OG-O 3.37Å; K137-T139 PolarHBondContact O-N 3.19Å; K137-E159 PolarHBondContact N-OE2 3.11Å; K137-G161 WeakPolarHBondContact CA-O 3.26Å
138G94.2Very high96.5Very high3 Ų343.6 Ų43.63%0.03121%0.21CC..THydrogen-bonded Turntrans69.721.1178.900000115.8R114 L136 F140 E141 G161R114-G138 PolarHBondContact N-O 3.38Å; L136-G138 PolarHBondContact O-N 3.2Å; G138-F140 PolarHBondContact O-N 2.86Å; G138-E141 VanDerWaalsContact O-CB 3.32Å; G138-E141 WeakPolarHBondContact O-CB 3.28Å; G138-E141 PolarHBondContact O-N 3.26Å; G138-G161 PolarHBondContact N-O 3.3Å
139T96.9Very high96.5Very high0 Ų045.4 Ų45.40%022%0.217CC..THydrogen-bonded Turntrans-54.9-35.4172.9-71.10000112.7I111 F116 I135 L136 K137I111-T139 HydrophobicContact CB-CG2 4.11Å; I111-T139 HydrophobicContact CG2-CG2 3.61Å; F116-T139 HydrophobicContact CE2-CG2 4.35Å; I135-T139 HydrophobicContact CG2-CG2 4.2Å; L136-T139 PolarHBondContact N-OG1 2.85Å; L136-T139 PolarHBondContact O-N 3.11Å; L136-T139 VanDerWaalsContact O-N 3.12Å; L136-T139 PolarHBondContact O-OG1 3.18Å; K137-T139 PolarHBondContact O-N 3.19Å
140F96.6Very high96.6Very high0 Ų043 Ų430%021%0.205CC..THydrogen-bonded Turntrans-107.514.1-178.7-52-66.2000113.9F116 L125 L127 I135 G138 G142 L143 L148 L150 F163 T166F116-F140 AromaticContact CD2-CD1 3.95Å; F116-F140 HydrophobicContact CD2-CD1 3.95Å; F116-F140 HydrophobicContact CD2-CE1 4.08Å; F116-F140 HydrophobicContact CE2-CD1 4.27Å; F116-F140 AromaticContact CE2-CE1 3.92Å; F116-F140 HydrophobicContact CE2-CE1 3.92Å; L125-F140 HydrophobicContact CD2-CD1 4.02Å; L125-F140 HydrophobicContact CD2-CE1 3.69Å; L127-F140 HydrophobicContact CD1-CE1 4.41Å; I135-F140 HydrophobicContact CG2-CD2 4.31Å; I135-F140 HydrophobicContact CG2-CE2 3.63Å; I135-F140 HydrophobicContact CG2-CZ 4.31Å; G138-F140 PolarHBondContact O-N 2.86Å; F140-G142 PolarHBondContact O-N 3.37Å; F140-L143 HydrophobicContact CB-CD1 4.27Å; F140-L143 HydrophobicContact CD1-CD1 4.25Å; F140-L143 WeakPolarHBondContact O-CB 3.41Å; F140-L143 PolarHBondContact O-N 3.42Å; F140-L148 HydrophobicContact CD2-CD2 4.1Å; F140-L148 HydrophobicContact CE1-CD1 3.97Å; F140-L148 HydrophobicContact CE1-CD2 4.11Å; F140-L148 HydrophobicContact CE2-CD2 3.6Å; F140-L148 HydrophobicContact CZ-CD1 4.02Å; F140-L148 HydrophobicContact CZ-CD2 3.63Å; F140-L148 HydrophobicContact CZ-CG 4.49Å; F140-L150 HydrophobicContact CZ-CD2 4.42Å; F140-F163 AromaticContact CD2-CD1 3.91Å; F140-F163 HydrophobicContact CD2-CD1 3.91Å; F140-F163 HydrophobicContact CD2-CE1 4.01Å; F140-F163 HydrophobicContact CE2-CD1 4.29Å; F140-F163 AromaticContact CE2-CE1 3.92Å; F140-F163 HydrophobicContact CE2-CE1 3.92Å; F140-T166 HydrophobicContact CB-CG2 3.91Å; F140-T166 WeakPolarHBondContact O-CB 3.27Å
141E95.4Very high96.6Very high44 Ų4443.5 Ų43.521%0.20621%0.208CC..THydrogen-bonded Turntrans-51.7116.8-174.9-174.3-165.512800112.5R114 Q117 G138 D165R114-E141 WeakPolarHBondContact CD-OE1 3.36Å; R114-E141 WeakPolarHBondContact CD-OE2 3.42Å; R114-E141 HydrophobicContact CG-CB 4Å; R114-E141 VanDerWaalsContact CG-CD 3.49Å; R114-E141 HydrophobicContact CG-CG 4.3Å; R114-E141 VanDerWaalsContact CG-OE2 3.22Å; R114-E141 WeakPolarHBondContact CG-OE2 3.2Å; R114-E141 IonicContact CZ-OE2 3.76Å; R114-E141 IonicContact NE-OE2 4Å; R114-E141 IonicContact NH1-OE1 3.65Å; R114-E141 IonicContact NH1-OE2 2.77Å; R114-E141 PolarHBondContact NH1-OE2 3.4Å; Q117-E141 PolarHBondContact NE2-O 3.19Å; Q117-E141 PolarHBondContact NE2-OE1 3.16Å; G138-E141 VanDerWaalsContact O-CB 3.32Å; G138-E141 WeakPolarHBondContact O-CB 3.28Å; G138-E141 PolarHBondContact O-N 3.26Å; E141-D165 HydrophobicContact CG-CB 4.43Å
142G92.9Very high96.6Very high37 Ų3738.1 Ų38.138%0.38119%0.19SC..THydrogen-bonded Turntrans92.24.9179.900000116.1F140 D165F140-G142 PolarHBondContact O-N 3.37Å; G142-D165 WeakPolarHBondContact CA-O 3.27Å; G142-D165 PolarHBondContact N-O 3.09Å
143L96.1Very high96.6Very high2 Ų238.1 Ų38.11%0.0119%0.19CC..  trans-91.3146.3176.7-66-175.4000114F116 L119 L122 F140 L145 T166 S167F116-L143 HydrophobicContact CB-CD1 3.78Å; F116-L143 HydrophobicContact CB-CD2 4.45Å; F116-L143 HydrophobicContact CB-CG 4.4Å; L119-L143 WeakPolarHBondContact O-CD2 3.47Å; L122-L143 HydrophobicContact CB-CD2 4.33Å; L122-L143 HydrophobicContact CD2-CD1 4.25Å; F140-L143 HydrophobicContact CB-CD1 4.27Å; F140-L143 HydrophobicContact CD1-CD1 4.25Å; F140-L143 WeakPolarHBondContact O-CB 3.41Å; F140-L143 PolarHBondContact O-N 3.42Å; L143-L145 HydrophobicContact CB-CG 4.18Å; L143-L145 HydrophobicContact CD1-CD1 4.14Å; L143-L145 HydrophobicContact CD1-CD2 4.33Å; L143-L145 HydrophobicContact CD1-CG 4.3Å; L143-T166 VanDerWaalsContact O-CA 3.29Å; L143-T166 WeakPolarHBondContact O-CA 3.33Å; L143-T166 WeakPolarHBondContact O-CB 3.4Å; L143-T166 PolarHBondContact O-OG1 3.19Å; L143-S167 PolarHBondContact O-N 3.38Å
144H96Very high96.6Very high133 Ų13338.6 Ų38.662%0.61619%0.192SC*.EExtended strand (participates in β ladder)trans-118.187.5170.4-62.6-63000109.6S167H144-S167 PolarHBondContact ND1-OG 2.98Å
145L97.6Very high96.4Very high2 Ų239 Ų391%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-93.5129.2-175-64.4172.6000111.8L122 Q123 L125 L143 F147 L148 S167 I168 V169L122-L145 HydrophobicContact CD2-CD2 4.23Å; L122-L145 HydrophobicContact CG-CD2 4.06Å; L122-L145 WeakPolarHBondContact O-CD2 3.44Å; Q123-L145 CarbonylContact O-C 3.45Å; Q123-L145 WeakPolarHBondContact O-CA 3.43Å; L125-L145 HydrophobicContact CB-CD1 4.27Å; L125-L145 HydrophobicContact CB-CD2 4.15Å; L143-L145 HydrophobicContact CB-CG 4.18Å; L143-L145 HydrophobicContact CD1-CD1 4.14Å; L143-L145 HydrophobicContact CD1-CD2 4.33Å; L143-L145 HydrophobicContact CD1-CG 4.3Å; L145-F147 VanDerWaalsContact C-N 3.31Å; L145-L148 HydrophobicContact CD1-CB 4.02Å; L145-L148 HydrophobicContact CD1-CD1 4.31Å; L145-S167 PolarHBondContact N-O 3.17Å; L145-I168 HydrophobicContact CB-CG1 4.37Å; L145-I168 CarbonylContact O-C 3.59Å; L145-I168 VanDerWaalsContact O-CA 3.27Å; L145-I168 WeakPolarHBondContact O-CA 3.35Å; L145-V169 PolarHBondContact O-N 2.66Å
146D97.5Very high96.3Very high71 Ų7139.5 Ų39.538%0.3821%0.208SC..EExtended strand (participates in β ladder)trans-69.8-34.4160.2-66.5-53.4000110.5Q123 V169 S170Q123-D146 WeakPolarHBondContact CB-OD2 3.22Å; Q123-D146 PolarHBondContact NE2-OD2 2.83Å; Q123-D146 PolarHBondContact O-N 3.32Å; D146-V169 WeakPolarHBondContact O-CB 3.23Å; D146-S170 WeakPolarHBondContact O-CB 3.46Å; D146-S170 PolarHBondContact O-N 2.91Å
147F97Very high96.3Very high39 Ų3939.9 Ų39.917%0.17122%0.216CC..EExtended strand (participates in β ladder)trans-143.9128.7-175-171.7-108.3000113.4Q123 Q124 L125 L145 R149 S170Q123-F147 PolarHBondContact O-N 2.87Å; Q124-F147 WeakPolarHBondContact CA-O 3.04Å; Q124-F147 HydrophobicContact CB-CB 4.27Å; Q124-F147 HydrophobicContact CG-CB 4.12Å; L125-F147 PolarHBondContact N-O 2.9Å; L145-F147 VanDerWaalsContact C-N 3.31Å; F147-R149 HydrophobicContact CD1-CB 4.48Å; F147-R149 HydrophobicContact CE1-CB 3.54Å; F147-R149 HydrophobicContact CZ-CB 3.74Å; F147-S170 WeakPolarHBondContact CA-O 3.37Å
148L98.1Very high96.3Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-125.9119.7165.817960.7000110.3L125 F140 L145 L150 F163 I168 S170 L171 S172L125-L148 HydrophobicContact CB-CD1 3.93Å; L125-L148 HydrophobicContact CD2-CD1 3.94Å; L125-L148 HydrophobicContact CG-CD1 3.83Å; L125-L148 WeakPolarHBondContact O-CA 3.06Å; F140-L148 HydrophobicContact CD2-CD2 4.1Å; F140-L148 HydrophobicContact CE1-CD1 3.97Å; F140-L148 HydrophobicContact CE1-CD2 4.11Å; F140-L148 HydrophobicContact CE2-CD2 3.6Å; F140-L148 HydrophobicContact CZ-CD1 4.02Å; F140-L148 HydrophobicContact CZ-CD2 3.63Å; F140-L148 HydrophobicContact CZ-CG 4.49Å; L145-L148 HydrophobicContact CD1-CB 4.02Å; L145-L148 HydrophobicContact CD1-CD1 4.31Å; L148-L150 HydrophobicContact CD1-CD2 4.19Å; L148-L150 HydrophobicContact CD1-CG 4.47Å; L148-L150 HydrophobicContact CD2-CD1 4.39Å; L148-L150 HydrophobicContact CD2-CG 4.47Å; L148-L150 HydrophobicContact CG-CD2 4.49Å; L148-L150 HydrophobicContact CG-CG 4.26Å; L148-F163 HydrophobicContact CD2-CE1 3.9Å; L148-I168 HydrophobicContact CB-CD1 4.18Å; L148-I168 HydrophobicContact CB-CG2 4.11Å; L148-I168 HydrophobicContact CD2-CD1 3.64Å; L148-S170 PolarHBondContact N-O 3.26Å; L148-L171 HydrophobicContact CB-CD1 4.12Å; L148-L171 HydrophobicContact CD2-CD1 3.86Å; L148-L171 HydrophobicContact CG-CD1 4.05Å; L148-S172 PolarHBondContact O-N 2.95Å
149R98.2Very high96.3Very high42 Ų4238.8 Ų38.816%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-110.6126.2170.5-179.3-179.5-78.7126.4-6.5111.6L125 D126 L127 F147 D151L125-R149 PolarHBondContact O-N 3.48Å; D126-R149 HydrophobicContact CB-CB 4.39Å; D126-R149 WeakPolarHBondContact OD1-CD 3.43Å; D126-R149 WeakPolarHBondContact OD2-CD 3.18Å; D126-R149 IonicContact OD2-CZ 3.51Å; D126-R149 IonicContact OD2-NE 3.77Å; D126-R149 IonicContact OD2-NH1 3.85Å; D126-R149 PolarHBondContact OD2-NH1 3.48Å; L127-R149 PolarHBondContact N-O 3.27Å; F147-R149 HydrophobicContact CD1-CB 4.48Å; F147-R149 HydrophobicContact CE1-CB 3.54Å; F147-R149 HydrophobicContact CZ-CB 3.74Å; R149-D151 WeakPolarHBondContact CD-OD2 3.5Å; R149-D151 HydrophobicContact CG-CB 3.8Å; R149-D151 VanDerWaalsContact CG-CG 3.46Å; R149-D151 WeakPolarHBondContact CG-OD2 3.5Å; R149-D151 IonicContact NE-OD2 2.78Å; R149-D151 PolarHBondContact NE-OD2 3.44Å
150L98Very high96.1Very high1 Ų144.5 Ų44.51%0.00524%0.239CC..  trans-117.87172.1-58.4176.4000112.2L127 I135 F140 L148 N153 L156 S172 M173 C176L127-L150 HydrophobicContact CB-CD2 4.12Å; L127-L150 HydrophobicContact CD1-CD2 4Å; I135-L150 HydrophobicContact CD1-CD1 4.03Å; I135-L150 HydrophobicContact CD1-CD2 4.17Å; I135-L150 HydrophobicContact CG1-CD1 3.99Å; F140-L150 HydrophobicContact CZ-CD2 4.42Å; L148-L150 HydrophobicContact CD1-CD2 4.19Å; L148-L150 HydrophobicContact CD1-CG 4.47Å; L148-L150 HydrophobicContact CD2-CD1 4.39Å; L148-L150 HydrophobicContact CD2-CG 4.47Å; L148-L150 HydrophobicContact CG-CD2 4.49Å; L148-L150 HydrophobicContact CG-CG 4.26Å; L150-N153 WeakPolarHBondContact O-CB 3.33Å; L150-N153 PolarHBondContact O-N 2.96Å; L150-N153 PolarHBondContact O-ND2 3.44Å; L150-L156 HydrophobicContact CB-CD2 4.24Å; L150-L156 HydrophobicContact CD1-CD2 4.19Å; L150-S172 PolarHBondContact N-O 2.75Å; L150-M173 HydrophobicContact CB-CG 4.28Å; L150-M173 HydrophobicContact CD1-CG 4.22Å; L150-M173 HydrophobicContact CD1-SD 4.3Å; L150-C176 PolarHBondContact O-SG 2.85Å
151D97.7Very high96Very high15 Ų1544.9 Ų44.98%0.0824%0.243CC..THydrogen-bonded Turntrans-46.5146.3-174.4-60.6-17000114S128 Q129 R149 N153 S172 M173 N174S128-D151 CarbonylContact C-O 3.47Å; S128-D151 WeakPolarHBondContact CA-O 3.41Å; S128-D151 WeakPolarHBondContact CB-O 3.37Å; Q129-D151 PolarHBondContact N-O 3.3Å; R149-D151 WeakPolarHBondContact CD-OD2 3.5Å; R149-D151 HydrophobicContact CG-CB 3.8Å; R149-D151 VanDerWaalsContact CG-CG 3.46Å; R149-D151 WeakPolarHBondContact CG-OD2 3.5Å; R149-D151 IonicContact NE-OD2 2.78Å; R149-D151 PolarHBondContact NE-OD2 3.44Å; D151-N153 PolarHBondContact O-N 3.42Å; D151-N153 VanDerWaalsContact O-N 3.15Å; D151-S172 VanDerWaalsContact CG-OG 3.23Å; D151-S172 WeakPolarHBondContact OD1-CB 3.39Å; D151-S172 PolarHBondContact OD1-OG 2.97Å; D151-S172 PolarHBondContact OD2-OG 3.39Å; D151-M173 PolarHBondContact OD1-N 3.31Å; D151-N174 CarbonylContact C-O 3.58Å; D151-N174 VanDerWaalsContact CA-O 3.31Å; D151-N174 WeakPolarHBondContact CA-O 3.48Å; D151-N174 HydrophobicContact CB-CB 4.44Å; D151-N174 PolarHBondContact OD1-N 2.99Å; D151-N174 PolarHBondContact OD1-ND2 3.27Å
152E97.3Very high96Very high55 Ų5542.8 Ų42.826%0.25723%0.233SC..THydrogen-bonded Turntrans61.315.2177.4-59.5171.4-101.300115.5Q129 F154 N174 Q175Q129-E152 HydrophobicContact CG-CB 3.88Å; Q129-E152 VanDerWaalsContact CG-CD 3.42Å; Q129-E152 HydrophobicContact CG-CG 4.27Å; Q129-E152 VanDerWaalsContact CG-OE1 3.26Å; Q129-E152 WeakPolarHBondContact CG-OE1 3.37Å; Q129-E152 WeakPolarHBondContact CG-OE2 3.42Å; Q129-E152 PolarHBondContact NE2-OE1 2.93Å; Q129-E152 PolarHBondContact NE2-OE2 2.92Å; E152-F154 VanDerWaalsContact C-N 3.34Å; E152-F154 HydrophobicContact CB-CE2 4.3Å; E152-F154 HydrophobicContact CB-CZ 4.32Å; E152-F154 VanDerWaalsContact O-CD2 3.24Å; E152-F154 WeakPolarHBondContact O-CD2 3.49Å; E152-F154 WeakPolarHBondContact O-CE2 3.31Å; E152-F154 PolarHBondContact O-N 2.91Å; E152-N174 PolarHBondContact N-O 3.45Å; E152-Q175 HydrophobicContact CG-CB 4.26Å
153N97.5Very high96.2Very high0 Ų041 Ų410%022%0.215CC..  trans-79.282.4167.4-79.4-88.7000110.1L127 N130 R131 I132 L150 D151 G155 L156 C176L127-N153 PolarHBondContact O-ND2 2.86Å; N130-N153 WeakPolarHBondContact CA-OD1 3.39Å; N130-N153 WeakPolarHBondContact CB-OD1 3.41Å; N130-N153 PolarHBondContact O-OD1 2.89Å; R131-N153 PolarHBondContact N-OD1 2.83Å; I132-N153 HydrophobicContact CB-CB 4.45Å; I132-N153 VanDerWaalsContact CB-OD1 3.25Å; I132-N153 WeakPolarHBondContact CB-OD1 3.42Å; I132-N153 VanDerWaalsContact CG1-OD1 3.31Å; I132-N153 WeakPolarHBondContact CG1-OD1 3.49Å; I132-N153 PolarHBondContact N-OD1 2.02Å; L150-N153 WeakPolarHBondContact O-CB 3.33Å; L150-N153 PolarHBondContact O-N 2.96Å; L150-N153 PolarHBondContact O-ND2 3.44Å; D151-N153 PolarHBondContact O-N 3.42Å; D151-N153 VanDerWaalsContact O-N 3.15Å; N153-G155 PolarHBondContact O-N 2.83Å; N153-L156 HydrophobicContact CB-CD1 4.49Å; N153-L156 WeakPolarHBondContact O-CB 3.4Å; N153-L156 PolarHBondContact O-N 3.03Å; N153-C176 WeakPolarHBondContact O-CA 3.44Å
154F94.4Very high96.1Very high142 Ų14244.3 Ų44.362%0.62323%0.23SC*.THydrogen-bonded Turntrans-61.8122.3-174.3-59.7-73.7000113.4E152 Q175E152-F154 VanDerWaalsContact C-N 3.34Å; E152-F154 HydrophobicContact CB-CE2 4.3Å; E152-F154 HydrophobicContact CB-CZ 4.32Å; E152-F154 VanDerWaalsContact O-CD2 3.24Å; E152-F154 WeakPolarHBondContact O-CD2 3.49Å; E152-F154 WeakPolarHBondContact O-CE2 3.31Å; E152-F154 PolarHBondContact O-N 2.91Å; F154-Q175 VanDerWaalsContact CD1-O 3.24Å; F154-Q175 WeakPolarHBondContact CD1-O 3.4Å; F154-Q175 HydrophobicContact CE1-CB 4.47Å; F154-Q175 VanDerWaalsContact CE1-O 3.24Å; F154-Q175 WeakPolarHBondContact CE1-O 3.39Å
155G91.8Very high96Very high55 Ų5543 Ų4357%0.56723%0.228SC*.THydrogen-bonded Turntrans89.218.2-178.900000114.2N153 C176N153-G155 PolarHBondContact O-N 2.83Å; G155-C176 PolarHBondContact N-O 3.14Å
156L96.4Very high95.9Very high10 Ų1043.3 Ų43.35%0.05223%0.23CC..  trans-58134.3178-17066.3000112.1I132 K133 I135 L150 N153 I158 C176 L178I132-L156 HydrophobicContact CB-CD1 4.37Å; I132-L156 HydrophobicContact CG2-CD1 4Å; I132-L156 VanDerWaalsContact O-CD1 3.26Å; I132-L156 WeakPolarHBondContact O-CD1 3.41Å; K133-L156 CarbonylContact O-C 3.58Å; I135-L156 HydrophobicContact CD1-CD1 4.06Å; I135-L156 HydrophobicContact CG1-CD1 4.04Å; L150-L156 HydrophobicContact CB-CD2 4.24Å; L150-L156 HydrophobicContact CD1-CD2 4.19Å; N153-L156 HydrophobicContact CB-CD1 4.49Å; N153-L156 WeakPolarHBondContact O-CB 3.4Å; N153-L156 PolarHBondContact O-N 3.03Å; L156-I158 HydrophobicContact CD2-CG1 4.42Å; L156-I158 HydrophobicContact CG-CG1 4.39Å; L156-C176 HydrophobicContact CB-CB 3.93Å; L156-C176 HydrophobicContact CD2-CB 4.17Å; L156-C176 PolarHBondContact N-O 2.81Å; L156-L178 HydrophobicContact CB-CD2 4.44Å; L156-L178 WeakPolarHBondContact O-CD2 3.38Å
157S95.6Very high95.8Very high65 Ų6540.8 Ų40.846%0.45522%0.218SC..EExtended strand (participates in β ladder)trans-115.1154.8163.7-170.10000109.9K133 T134 I135K133-S157 PolarHBondContact O-N 2.88Å; T134-S157 CarbonylContact C-O 3.59Å; T134-S157 VanDerWaalsContact CA-O 3.31Å; T134-S157 WeakPolarHBondContact CA-O 3.03Å; I135-S157 PolarHBondContact N-O 3.07Å
158I96.4Very high95.8Very high22 Ų2239 Ų3911%0.11321%0.21CC..EExtended strand (participates in β ladder)trans-132.8117.9-177.8-48.3173.5000108I135 L156 A162 F163 M173 L178 V185I135-I158 HydrophobicContact CB-CG2 4.39Å; L156-I158 HydrophobicContact CD2-CG1 4.42Å; L156-I158 HydrophobicContact CG-CG1 4.39Å; I158-A162 HydrophobicContact CG2-CB 3.44Å; I158-A162 VanDerWaalsContact CG2-CB 3.44Å; I158-F163 HydrophobicContact CG2-CE2 4Å; I158-F163 HydrophobicContact CG2-CZ 4.43Å; I158-M173 HydrophobicContact CD1-CE 4.06Å; I158-M173 HydrophobicContact CD1-SD 3.45Å; I158-M173 WeakPolarHBondContact CD1-SD 3.26Å; I158-L178 HydrophobicContact CD1-CD2 4.08Å; I158-L178 HydrophobicContact CG1-CD2 4.32Å; I158-V185 HydrophobicContact CB-CG1 4.02Å; I158-V185 HydrophobicContact CG2-CG1 3.45Å; I158-V185 VanDerWaalsContact CG2-CG1 3.45Å
159E94.7Very high95.7Very high80 Ų8040.1 Ų40.137%0.37422%0.217SC..  trans-72.6154.1179.6-67.9-174165.100112.6T134 I135 L136 K137 G161 A162T134-E159 HydrophobicContact CG2-CG 3.9Å; I135-E159 PolarHBondContact O-N 3.18Å; I135-E159 VanDerWaalsContact O-N 3.08Å; L136-E159 VanDerWaalsContact CA-OE2 3.31Å; L136-E159 WeakPolarHBondContact CA-OE2 3.28Å; L136-E159 WeakPolarHBondContact CD2-OE1 3.31Å; K137-E159 PolarHBondContact N-OE2 3.11Å; E159-G161 PolarHBondContact O-N 3.38Å; E159-A162 VanDerWaalsContact O-CB 3.23Å; E159-A162 WeakPolarHBondContact O-CB 3.3Å; E159-A162 PolarHBondContact O-N 2.94Å
160E93.8Very high95.7Very high120 Ų12038.5 Ų38.556%0.56121%0.212SC*.THydrogen-bonded Turntrans-64118.5169.7-64.1-166.4152.200110N184E160-N184 HydrophobicContact CG-CB 4.19Å; E160-N184 WeakPolarHBondContact OE1-CB 3.25Å; E160-N184 PolarHBondContact OE1-ND2 2.98Å
161G93.4Very high95.7Very high8 Ų838.5 Ų38.58%0.08221%0.212CC..THydrogen-bonded Turntrans86.213.6-17100000114.9K137 G138 E159 F163 Q164K137-G161 WeakPolarHBondContact CA-O 3.26Å; G138-G161 PolarHBondContact N-O 3.3Å; E159-G161 PolarHBondContact O-N 3.38Å; G161-F163 PolarHBondContact O-N 3.3Å; G161-Q164 WeakPolarHBondContact O-CB 3.48Å; G161-Q164 PolarHBondContact O-N 2.74Å
162A96.3Very high95.7Very high0 Ų038 Ų380%021%0.209CC..THydrogen-bonded Turntrans-50.1-41.416700000112.4I135 L136 I158 E159I135-A162 HydrophobicContact CB-CB 4.16Å; I135-A162 HydrophobicContact CG2-CB 3.72Å; L136-A162 WeakPolarHBondContact O-CA 3.5Å; I158-A162 HydrophobicContact CG2-CB 3.44Å; I158-A162 VanDerWaalsContact CG2-CB 3.44Å; E159-A162 VanDerWaalsContact O-CB 3.23Å; E159-A162 WeakPolarHBondContact O-CB 3.3Å; E159-A162 PolarHBondContact O-N 2.94Å
163F96.1Very high95.7Very high0 Ų035.3 Ų35.30%020%0.197CC..THydrogen-bonded Turntrans-95.622.9176.1-52.8-65.3000113.8F140 L148 I158 G161 D165 T166 I168 L171 M173 V185 P188 L189F140-F163 AromaticContact CD2-CD1 3.91Å; F140-F163 HydrophobicContact CD2-CD1 3.91Å; F140-F163 HydrophobicContact CD2-CE1 4.01Å; F140-F163 HydrophobicContact CE2-CD1 4.29Å; F140-F163 AromaticContact CE2-CE1 3.92Å; F140-F163 HydrophobicContact CE2-CE1 3.92Å; L148-F163 HydrophobicContact CD2-CE1 3.9Å; I158-F163 HydrophobicContact CG2-CE2 4Å; I158-F163 HydrophobicContact CG2-CZ 4.43Å; G161-F163 PolarHBondContact O-N 3.3Å; F163-D165 PolarHBondContact O-N 2.81Å; F163-T166 HydrophobicContact CB-CG2 3.93Å; F163-T166 HydrophobicContact CD1-CG2 4.46Å; F163-T166 VanDerWaalsContact O-CG2 3.26Å; F163-T166 WeakPolarHBondContact O-CG2 3.33Å; F163-I168 HydrophobicContact CD1-CD1 3.63Å; F163-I168 HydrophobicContact CE1-CD1 3.85Å; F163-L171 HydrophobicContact CE1-CD1 4.31Å; F163-L171 HydrophobicContact CE1-CD2 4.42Å; F163-L171 HydrophobicContact CE2-CD2 4.17Å; F163-L171 HydrophobicContact CZ-CD1 4.21Å; F163-L171 HydrophobicContact CZ-CD2 3.85Å; F163-M173 HydrophobicContact CZ-SD 4.41Å; F163-V185 HydrophobicContact CD2-CG1 4.29Å; F163-V185 HydrophobicContact CE2-CG1 4.05Å; F163-P188 HydrophobicContact CB-CB 4.26Å; F163-P188 WeakPolarHBondContact O-CB 3.45Å; F163-L189 HydrophobicContact CB-CD1 4.25Å; F163-L189 HydrophobicContact CB-CD2 3.85Å; F163-L189 HydrophobicContact CB-CG 3.8Å; F163-L189 HydrophobicContact CD1-CD1 4.26Å; F163-L189 HydrophobicContact CD2-CD1 3.84Å; F163-L189 HydrophobicContact CD2-CG 4.23Å; F163-L189 HydrophobicContact CE2-CD1 4.24Å; F163-L189 HydrophobicContact CG-CD1 3.85Å; F163-L189 HydrophobicContact CG-CD2 4.21Å; F163-L189 HydrophobicContact CG-CG 3.98Å
164Q94.4Very high95.6Very high71 Ų7136.6 Ų36.633%0.33220%0.204SC..THydrogen-bonded Turntrans-60134175.6-173.665.655.200110.5G161 T166G161-Q164 WeakPolarHBondContact O-CB 3.48Å; G161-Q164 PolarHBondContact O-N 2.74Å; Q164-T166 PolarHBondContact O-N 2.98Å
165D93.8Very high95.7Very high105 Ų10533.8 Ų33.856%0.56119%0.193SC*.THydrogen-bonded Turntrans52.336.9175.6-52.2-30.4000114.4E141 G142 F163E141-D165 HydrophobicContact CG-CB 4.43Å; G142-D165 WeakPolarHBondContact CA-O 3.27Å; G142-D165 PolarHBondContact N-O 3.09Å; F163-D165 PolarHBondContact O-N 2.81Å
166T95Very high96Very high8 Ų831.2 Ų31.25%0.04917%0.166CC..  trans-128.6152166.6179.40000111.1F140 L143 F163 Q164 I168F140-T166 HydrophobicContact CB-CG2 3.91Å; F140-T166 WeakPolarHBondContact O-CB 3.27Å; L143-T166 VanDerWaalsContact O-CA 3.29Å; L143-T166 WeakPolarHBondContact O-CA 3.33Å; L143-T166 WeakPolarHBondContact O-CB 3.4Å; L143-T166 PolarHBondContact O-OG1 3.19Å; F163-T166 HydrophobicContact CB-CG2 3.93Å; F163-T166 HydrophobicContact CD1-CG2 4.46Å; F163-T166 VanDerWaalsContact O-CG2 3.26Å; F163-T166 WeakPolarHBondContact O-CG2 3.33Å; Q164-T166 PolarHBondContact O-N 2.98Å; T166-I168 HydrophobicContact CG2-CD1 4.49Å; T166-I168 HydrophobicContact CG2-CG1 4.47Å
167S95.7Very high95.9Very high19 Ų1932 Ų3213%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-113.3130.5167.161.50000109.5L143 H144 L145L143-S167 PolarHBondContact O-N 3.38Å; H144-S167 PolarHBondContact ND1-OG 2.98Å; L145-S167 PolarHBondContact N-O 3.17Å
168I97.2Very high95.9Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-124.9127.4178.6-54.8-179.1000108.4L145 L148 F163 T166 S170 L171 L189 Q194 L195L145-I168 HydrophobicContact CB-CG1 4.37Å; L145-I168 CarbonylContact O-C 3.59Å; L145-I168 VanDerWaalsContact O-CA 3.27Å; L145-I168 WeakPolarHBondContact O-CA 3.35Å; L148-I168 HydrophobicContact CB-CD1 4.18Å; L148-I168 HydrophobicContact CB-CG2 4.11Å; L148-I168 HydrophobicContact CD2-CD1 3.64Å; F163-I168 HydrophobicContact CD1-CD1 3.63Å; F163-I168 HydrophobicContact CE1-CD1 3.85Å; T166-I168 HydrophobicContact CG2-CD1 4.49Å; T166-I168 HydrophobicContact CG2-CG1 4.47Å; I168-S170 VanDerWaalsContact CG2-O 3.28Å; I168-S170 WeakPolarHBondContact CG2-O 3.3Å; I168-L171 HydrophobicContact CG2-CB 4.19Å; I168-L189 HydrophobicContact CB-CD2 3.89Å; I168-L189 HydrophobicContact CD1-CD1 4.43Å; I168-L189 HydrophobicContact CD1-CD2 3.99Å; I168-L189 HydrophobicContact CG1-CD2 3.76Å; I168-Q194 CarbonylContact O-C 3.53Å; I168-L195 HydrophobicContact CG2-CD1 4.42Å; I168-L195 WeakPolarHBondContact O-CA 3.47Å; I168-L195 WeakPolarHBondContact O-CD1 3.38Å; I168-L195 PolarHBondContact O-N 2.8Å
169V97.1Very high95.8Very high25 Ų2535.7 Ų35.715%0.15218%0.184CC..EExtended strand (participates in β ladder)trans-84.8-39.4177.7-175.80000111.7L145 D146 Q194 K196 N197L145-V169 PolarHBondContact O-N 2.66Å; D146-V169 WeakPolarHBondContact O-CB 3.23Å; V169-Q194 WeakPolarHBondContact CA-O 3.48Å; V169-Q194 HydrophobicContact CG2-CB 4.25Å; V169-K196 HydrophobicContact CG1-CB 4.18Å; V169-K196 HydrophobicContact CG1-CD 3.67Å; V169-K196 HydrophobicContact CG1-CG 4.08Å; V169-K196 PolarHBondContact O-N 3.08Å; V169-N197 PolarHBondContact O-N 2.86Å; V169-N197 VanDerWaalsContact O-N 3.09Å
170S97Very high95.8Very high8 Ų837.3 Ų37.36%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-132.9121.1178.2-175.90000111D146 F147 L148 I168 N197D146-S170 WeakPolarHBondContact O-CB 3.46Å; D146-S170 PolarHBondContact O-N 2.91Å; F147-S170 WeakPolarHBondContact CA-O 3.37Å; L148-S170 PolarHBondContact N-O 3.26Å; I168-S170 VanDerWaalsContact CG2-O 3.28Å; I168-S170 WeakPolarHBondContact CG2-O 3.3Å; S170-N197 WeakPolarHBondContact CA-O 3.45Å; S170-N197 WeakPolarHBondContact OG-CB 3.32Å
171L97.6Very high95.8Very high0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-117.5122.9-179.8177.659.9000110.5L148 F163 I168 M173 L186 L189 L195 N197 L198 H199L148-L171 HydrophobicContact CB-CD1 4.12Å; L148-L171 HydrophobicContact CD2-CD1 3.86Å; L148-L171 HydrophobicContact CG-CD1 4.05Å; F163-L171 HydrophobicContact CE1-CD1 4.31Å; F163-L171 HydrophobicContact CE1-CD2 4.42Å; F163-L171 HydrophobicContact CE2-CD2 4.17Å; F163-L171 HydrophobicContact CZ-CD1 4.21Å; F163-L171 HydrophobicContact CZ-CD2 3.85Å; I168-L171 HydrophobicContact CG2-CB 4.19Å; L171-M173 HydrophobicContact CD1-CG 3.95Å; L171-M173 HydrophobicContact CD1-SD 4.09Å; L171-M173 HydrophobicContact CD2-CE 3.84Å; L171-M173 HydrophobicContact CD2-SD 3.99Å; L171-M173 HydrophobicContact CG-CE 4.2Å; L171-M173 HydrophobicContact CG-CG 4.06Å; L171-M173 HydrophobicContact CG-SD 4.11Å; L171-L186 HydrophobicContact CD2-CD2 4.36Å; L171-L189 HydrophobicContact CD2-CD1 3.79Å; L171-L195 HydrophobicContact CB-CD1 3.87Å; L171-N197 PolarHBondContact N-O 3.49Å; L171-L198 HydrophobicContact CB-CD1 4.16Å; L171-L198 HydrophobicContact CD2-CD1 3.98Å; L171-L198 HydrophobicContact CG-CD1 4.11Å; L171-L198 WeakPolarHBondContact O-CA 3.25Å; L171-H199 PolarHBondContact O-N 2.85Å
172S97.7Very high95.8Very high4 Ų433.2 Ų33.23%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-120.1123.7178.4-161.80000111.1L148 L150 D151 N174L148-S172 PolarHBondContact O-N 2.95Å; L150-S172 PolarHBondContact N-O 2.75Å; D151-S172 VanDerWaalsContact CG-OG 3.23Å; D151-S172 WeakPolarHBondContact OD1-CB 3.39Å; D151-S172 PolarHBondContact OD1-OG 2.97Å; D151-S172 PolarHBondContact OD2-OG 3.39Å; S172-N174 PolarHBondContact OG-ND2 2.71Å
173M97.2Very high95.7Very high0 Ų036 Ų360%019%0.193CC..  trans-140.141.6-178.4-52.1-177-64.300110.1L150 D151 I158 F163 L171 C176 L178 L198 H199 I200 N203L150-M173 HydrophobicContact CB-CG 4.28Å; L150-M173 HydrophobicContact CD1-CG 4.22Å; L150-M173 HydrophobicContact CD1-SD 4.3Å; D151-M173 PolarHBondContact OD1-N 3.31Å; I158-M173 HydrophobicContact CD1-CE 4.06Å; I158-M173 HydrophobicContact CD1-SD 3.45Å; I158-M173 WeakPolarHBondContact CD1-SD 3.26Å; F163-M173 HydrophobicContact CZ-SD 4.41Å; L171-M173 HydrophobicContact CD1-CG 3.95Å; L171-M173 HydrophobicContact CD1-SD 4.09Å; L171-M173 HydrophobicContact CD2-CE 3.84Å; L171-M173 HydrophobicContact CD2-SD 3.99Å; L171-M173 HydrophobicContact CG-CE 4.2Å; L171-M173 HydrophobicContact CG-CG 4.06Å; L171-M173 HydrophobicContact CG-SD 4.11Å; M173-C176 VanDerWaalsContact C-SG 3.55Å; M173-C176 PolarHBondContact O-SG 2.89Å; M173-L178 HydrophobicContact CB-CD1 4.09Å; M173-L178 HydrophobicContact CE-CD1 4.31Å; M173-L198 HydrophobicContact CE-CD1 4.27Å; M173-H199 PolarHBondContact N-O 3.26Å; M173-I200 HydrophobicContact CB-CG2 4.44Å; M173-I200 HydrophobicContact CE-CG2 3.82Å; M173-N203 PolarHBondContact O-ND2 2.88Å
174N96.4Very high95.6Very high27 Ų2738.7 Ų38.714%0.14421%0.207CC..THydrogen-bonded Turntrans-71.3149.3-177.9-56.9-49000110.9D151 E152 S172 C176 H199 I200 S201D151-N174 CarbonylContact C-O 3.58Å; D151-N174 VanDerWaalsContact CA-O 3.31Å; D151-N174 WeakPolarHBondContact CA-O 3.48Å; D151-N174 HydrophobicContact CB-CB 4.44Å; D151-N174 PolarHBondContact OD1-N 2.99Å; D151-N174 PolarHBondContact OD1-ND2 3.27Å; E152-N174 PolarHBondContact N-O 3.45Å; S172-N174 PolarHBondContact OG-ND2 2.71Å; N174-C176 PolarHBondContact O-N 3.23Å; N174-C176 PolarHBondContact O-SG 3.34Å; N174-H199 WeakPolarHBondContact OD1-CB 3.5Å; N174-H199 PolarHBondContact OD1-O 2.95Å; N174-I200 PolarHBondContact OD1-N 3.25Å; N174-S201 CarbonylContact C-O 3.39Å; N174-S201 WeakPolarHBondContact CA-O 3.33Å; N174-S201 PolarHBondContact OD1-N 2.89Å; N174-S201 PolarHBondContact OD1-OG 3.11Å
175Q96.3Very high95.6Very high83 Ų8335.9 Ų35.939%0.38819%0.194SC..THydrogen-bonded Turntrans54.421.1174.8-57.5-175.79.400115.3E152 F154 G177 S201 G202E152-Q175 HydrophobicContact CG-CB 4.26Å; F154-Q175 VanDerWaalsContact CD1-O 3.24Å; F154-Q175 WeakPolarHBondContact CD1-O 3.4Å; F154-Q175 HydrophobicContact CE1-CB 4.47Å; F154-Q175 VanDerWaalsContact CE1-O 3.24Å; F154-Q175 WeakPolarHBondContact CE1-O 3.39Å; Q175-G177 VanDerWaalsContact C-N 3.31Å; Q175-G177 PolarHBondContact O-N 2.97Å; Q175-S201 PolarHBondContact N-O 3.46Å; Q175-G202 WeakPolarHBondContact CA-O 3.46Å
176C97.5Very high95.7Very high0 Ų030.9 Ų30.90%017%0.168CC..SBendtrans-80.7-10.4-179.2-670000113.4L150 N153 G155 L156 M173 N174 L178 N203L150-C176 PolarHBondContact O-SG 2.85Å; N153-C176 WeakPolarHBondContact O-CA 3.44Å; G155-C176 PolarHBondContact N-O 3.14Å; L156-C176 HydrophobicContact CB-CB 3.93Å; L156-C176 HydrophobicContact CD2-CB 4.17Å; L156-C176 PolarHBondContact N-O 2.81Å; M173-C176 VanDerWaalsContact C-SG 3.55Å; M173-C176 PolarHBondContact O-SG 2.89Å; N174-C176 PolarHBondContact O-N 3.23Å; N174-C176 PolarHBondContact O-SG 3.34Å; C176-L178 HydrophobicContact CB-CG 4.11Å; C176-N203 PolarHBondContact N-OD1 3.21Å; C176-N203 VanDerWaalsContact N-OD1 3.08Å
177G95.4Very high95.6Very high26 Ų2633.3 Ų33.327%0.26818%0.18SC..  trans77.120-176.700000114.5Q175 K179 N203Q175-G177 VanDerWaalsContact C-N 3.31Å; Q175-G177 PolarHBondContact O-N 2.97Å; G177-K179 PolarHBondContact O-N 3.32Å; G177-N203 PolarHBondContact N-OD1 2.83Å
178L96Very high95.5Very high8 Ų833.3 Ų33.34%0.04218%0.18CC..  trans-56.4122.3179.1-65169.1000110.7L156 I158 M173 C176 N203 Q204 L205L156-L178 HydrophobicContact CB-CD2 4.44Å; L156-L178 WeakPolarHBondContact O-CD2 3.38Å; I158-L178 HydrophobicContact CD1-CD2 4.08Å; I158-L178 HydrophobicContact CG1-CD2 4.32Å; M173-L178 HydrophobicContact CB-CD1 4.09Å; M173-L178 HydrophobicContact CE-CD1 4.31Å; C176-L178 HydrophobicContact CB-CG 4.11Å; L178-N203 HydrophobicContact CB-CB 4.1Å; L178-N203 PolarHBondContact N-OD1 3.42Å; L178-Q204 CarbonylContact O-C 3.4Å; L178-Q204 VanDerWaalsContact O-CA 3.29Å; L178-Q204 WeakPolarHBondContact O-CA 3.3Å; L178-Q204 PolarHBondContact O-N 3Å; L178-L205 HydrophobicContact CB-CD2 4.21Å; L178-L205 WeakPolarHBondContact O-CD2 3.4Å; L178-L205 PolarHBondContact O-N 3.13Å
179K94.3Very high95.3Very high158 Ų15833.3 Ų33.369%0.68718%0.18SC*.SBendtrans-88.4-26.6179.2-65.5-177.9179.7179.40113.6G177 Q204G177-K179 PolarHBondContact O-N 3.32Å; K179-Q204 HydrophobicContact CG-CB 4.13Å
180T93.6Very high95.1Very high113 Ų11333.9 Ų33.969%0.69318%0.181SC*.  trans-144.4154.4179.154.70000109.5
181L94.5Very high94.9Very high9 Ų938.7 Ų38.75%0.04721%0.207CC..  trans-134.7101.1171.1176.760.9000107.6L186 I200 L205 L208 F216L181-L186 HydrophobicContact CD1-CD1 4.19Å; L181-L186 HydrophobicContact CD1-CG 4.17Å; L181-L186 HydrophobicContact CD2-CD1 4.16Å; L181-L186 HydrophobicContact CG-CD1 4.26Å; L181-I200 HydrophobicContact CD2-CD1 3.46Å; L181-I200 VanDerWaalsContact CD2-CD1 3.46Å; L181-I200 HydrophobicContact CD2-CG2 4.47Å; L181-L205 HydrophobicContact CB-CD2 4.15Å; L181-L208 HydrophobicContact CB-CD2 4.26Å; L181-L208 HydrophobicContact CD2-CD2 4.43Å; L181-F216 HydrophobicContact CD2-CZ 4.42Å
182S92.9Very high94.5Very high33 Ų3340.1 Ų40.123%0.23122%0.217CC..  trans-83.5145.8-177.9-174.20000112.1N184 V185 E209S182-N184 PolarHBondContact O-N 3.49Å; S182-N184 PolarHBondContact OG-N 3.48Å; S182-V185 PolarHBondContact O-N 2.94Å; S182-V185 VanDerWaalsContact O-N 3.13Å; S182-E209 WeakPolarHBondContact CA-OE1 3.32Å; S182-E209 WeakPolarHBondContact CB-OE1 3.4Å; S182-E209 PolarHBondContact OG-OE1 3.28Å
183Y94.4Very high94.2Very high60 Ų6048.7 Ų48.724%0.23525%0.253CS..Hα-helixtrans-50.8-38169.6177.6-92.3000112.7V185 L186 L187 I190 E209 R211 L212Y183-V185 VanDerWaalsContact C-N 3.26Å; Y183-V185 PolarHBondContact O-N 3.26Å; Y183-L186 PolarHBondContact O-N 3.01Å; Y183-L187 HydrophobicContact CE1-CD1 3.96Å; Y183-L187 PolarHBondContact O-N 2.91Å; Y183-I190 HydrophobicContact CD2-CD1 4.01Å; Y183-I190 HydrophobicContact CE2-CD1 3.63Å; Y183-E209 PolarHBondContact N-OE1 3.06Å; Y183-R211 HydrophobicContact CD2-CB 3.6Å; Y183-R211 VanDerWaalsContact CD2-O 3.25Å; Y183-R211 WeakPolarHBondContact CD2-O 3.12Å; Y183-R211 HydrophobicContact CE2-CB 4.25Å; Y183-R211 WeakPolarHBondContact CE2-O 3.33Å; Y183-R211 HydrophobicContact CG-CB 3.83Å; Y183-L212 HydrophobicContact CD2-CD2 4.27Å
184N94.1Very high94.1Very high55 Ų5552.8 Ų52.829%0.29427%0.272SS..Hα-helixtrans-64.6-29.5-177-62.82000112.7E160 S182 R211E160-N184 HydrophobicContact CG-CB 4.19Å; E160-N184 WeakPolarHBondContact OE1-CB 3.25Å; E160-N184 PolarHBondContact OE1-ND2 2.98Å; S182-N184 PolarHBondContact O-N 3.49Å; S182-N184 PolarHBondContact OG-N 3.48Å; N184-R211 PolarHBondContact OD1-NH1 3.38Å; N184-R211 PolarHBondContact OD1-NH2 2.9Å
185V94.6Very high94Very high12 Ų1252.2 Ų52.27%0.07327%0.269CS..Hα-helixtrans-71.2-40.6176.7171.40000111.1I158 F163 S182 Y183 P188I158-V185 HydrophobicContact CB-CG1 4.02Å; I158-V185 HydrophobicContact CG2-CG1 3.45Å; I158-V185 VanDerWaalsContact CG2-CG1 3.45Å; F163-V185 HydrophobicContact CD2-CG1 4.29Å; F163-V185 HydrophobicContact CE2-CG1 4.05Å; S182-V185 PolarHBondContact O-N 2.94Å; S182-V185 VanDerWaalsContact O-N 3.13Å; Y183-V185 VanDerWaalsContact C-N 3.26Å; Y183-V185 PolarHBondContact O-N 3.26Å; V185-P188 WeakPolarHBondContact O-CD 3.48Å
186L94.4Very high93.9Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-84.5-11.5179.8-65.5-179.7000113.7L171 L181 Y183 P188 L189 I190 L198 L212 F216L171-L186 HydrophobicContact CD2-CD2 4.36Å; L181-L186 HydrophobicContact CD1-CD1 4.19Å; L181-L186 HydrophobicContact CD1-CG 4.17Å; L181-L186 HydrophobicContact CD2-CD1 4.16Å; L181-L186 HydrophobicContact CG-CD1 4.26Å; Y183-L186 PolarHBondContact O-N 3.01Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 WeakPolarHBondContact O-CA 3.48Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 2.83Å; L186-I190 HydrophobicContact CB-CD1 4.14Å; L186-I190 HydrophobicContact CB-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.84Å; L186-L198 HydrophobicContact CD1-CD2 4.14Å; L186-L212 HydrophobicContact CD1-CD2 3.95Å; L186-F216 HydrophobicContact CD1-CE1 4.42Å
187L94.2Very high93.7Very high59 Ų5953 Ų5331%0.30927%0.272SS..Hα-helixtrans-50.9-42-177.8-179.959.4000114.6Y183 L189 I190 N191Y183-L187 HydrophobicContact CE1-CD1 3.96Å; Y183-L187 PolarHBondContact O-N 2.91Å; L187-L189 PolarHBondContact O-N 3.44Å; L187-I190 PolarHBondContact O-N 3.27Å; L187-N191 WeakPolarHBondContact O-CB 2.95Å; L187-N191 PolarHBondContact O-N 3.45Å; L187-N191 PolarHBondContact O-ND2 2.74Å
188P93.2Very high93.8Very high19 Ų1951.8 Ų51.812%0.12326%0.26CS..Hα-helixtrans-61.8-41.7173.9-23.935.8000113.2F163 V185 L186 N191 S192F163-P188 HydrophobicContact CB-CB 4.26Å; F163-P188 WeakPolarHBondContact O-CB 3.45Å; V185-P188 WeakPolarHBondContact O-CD 3.48Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; P188-N191 PolarHBondContact O-N 3.42Å; P188-S192 PolarHBondContact O-N 2.94Å
189L93.8Very high93.7Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-69.7-38.9179-60.2-179000111.6F163 I168 L171 L186 L187 N191 S192 K193 L195F163-L189 HydrophobicContact CB-CD1 4.25Å; F163-L189 HydrophobicContact CB-CD2 3.85Å; F163-L189 HydrophobicContact CB-CG 3.8Å; F163-L189 HydrophobicContact CD1-CD1 4.26Å; F163-L189 HydrophobicContact CD2-CD1 3.84Å; F163-L189 HydrophobicContact CD2-CG 4.23Å; F163-L189 HydrophobicContact CE2-CD1 4.24Å; F163-L189 HydrophobicContact CG-CD1 3.85Å; F163-L189 HydrophobicContact CG-CD2 4.21Å; F163-L189 HydrophobicContact CG-CG 3.98Å; I168-L189 HydrophobicContact CB-CD2 3.89Å; I168-L189 HydrophobicContact CD1-CD1 4.43Å; I168-L189 HydrophobicContact CD1-CD2 3.99Å; I168-L189 HydrophobicContact CG1-CD2 3.76Å; L171-L189 HydrophobicContact CD2-CD1 3.79Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 WeakPolarHBondContact O-CA 3.48Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 2.83Å; L187-L189 PolarHBondContact O-N 3.44Å; L189-N191 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 2.87Å; L189-S192 WeakPolarHBondContact O-CB 3.25Å; L189-S192 PolarHBondContact O-N 3.39Å; L189-S192 PolarHBondContact O-OG 3.22Å; L189-K193 PolarHBondContact O-N 3.48Å; L189-L195 HydrophobicContact CB-CD2 4.34Å; L189-L195 HydrophobicContact CD1-CD2 4.33Å
190I91.5Very high93.8Very high37 Ų3744.9 Ų44.919%0.1923%0.229CC..Hα-helixtrans-56.1-48.1169.9-67.1164.2000110Y183 L186 L187 S192 K193 I215Y183-I190 HydrophobicContact CD2-CD1 4.01Å; Y183-I190 HydrophobicContact CE2-CD1 3.63Å; L186-I190 HydrophobicContact CB-CD1 4.14Å; L186-I190 HydrophobicContact CB-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.84Å; L187-I190 PolarHBondContact O-N 3.27Å; I190-S192 VanDerWaalsContact C-N 3.33Å; I190-S192 PolarHBondContact O-N 3.01Å; I190-K193 PolarHBondContact O-N 2.7Å; I190-I215 HydrophobicContact CB-CD1 4.45Å; I190-I215 HydrophobicContact CD1-CG2 4.03Å; I190-I215 HydrophobicContact CG1-CB 4.16Å; I190-I215 HydrophobicContact CG1-CD1 3.49Å; I190-I215 VanDerWaalsContact CG1-CD1 3.49Å; I190-I215 HydrophobicContact CG1-CG1 4.4Å; I190-I215 HydrophobicContact CG1-CG2 4.1Å
191N92.2Very high93.9Very high110 Ų11040.5 Ų40.559%0.58820%0.203SC*.Hα-helixtrans-66.1-32.2179.9-70.2-21.8000113L187 P188 L189 K193L187-N191 WeakPolarHBondContact O-CB 2.95Å; L187-N191 PolarHBondContact O-N 3.45Å; L187-N191 PolarHBondContact O-ND2 2.74Å; P188-N191 PolarHBondContact O-N 3.42Å; L189-N191 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 2.87Å; N191-K193 PolarHBondContact O-N 3.38Å
192S91.1Very high93.9Very high30 Ų3040.9 Ų40.921%0.2121%0.21CC..Hα-helixtrans-65.3-25.5174.983.50000113.6P188 L189 I190 Q194P188-S192 PolarHBondContact O-N 2.94Å; L189-S192 WeakPolarHBondContact O-CB 3.25Å; L189-S192 PolarHBondContact O-N 3.39Å; L189-S192 PolarHBondContact O-OG 3.22Å; I190-S192 VanDerWaalsContact C-N 3.33Å; I190-S192 PolarHBondContact O-N 3.01Å; S192-Q194 PolarHBondContact O-N 2.82Å; S192-Q194 VanDerWaalsContact O-N 3.09Å; S192-Q194 PolarHBondContact OG-N 2.72Å
193K91.1Very high94.1Very high183 Ų18339.3 Ų39.380%0.79620%0.199SC*.THydrogen-bonded Turntrans57.311.5-173.5-55.2177.3-176.5177.10115.4L189 I190 N191L189-K193 PolarHBondContact O-N 3.48Å; I190-K193 PolarHBondContact O-N 2.7Å; N191-K193 PolarHBondContact O-N 3.38Å
194Q93.6Very high94.2Very high86 Ų8641.5 Ų41.540%0.40221%0.211SC..  trans-89.7-23.6-179.3-63.2-49.5-4400114.2I168 V169 S192 K196I168-Q194 CarbonylContact O-C 3.53Å; V169-Q194 WeakPolarHBondContact CA-O 3.48Å; V169-Q194 HydrophobicContact CG2-CB 4.25Å; S192-Q194 PolarHBondContact O-N 2.82Å; S192-Q194 VanDerWaalsContact O-N 3.09Å; S192-Q194 PolarHBondContact OG-N 2.72Å; Q194-K196 PolarHBondContact O-N 3.2Å; Q194-K196 VanDerWaalsContact O-N 3.09Å
195L95.5Very high94.3Very high15 Ų1538.9 Ų38.98%0.07920%0.197CC..  trans-66.2112.3-173.6-167.370.1000111.3I168 L171 L189 N197 I215 L219I168-L195 HydrophobicContact CG2-CD1 4.42Å; I168-L195 WeakPolarHBondContact O-CA 3.47Å; I168-L195 WeakPolarHBondContact O-CD1 3.38Å; I168-L195 PolarHBondContact O-N 2.8Å; L171-L195 HydrophobicContact CB-CD1 3.87Å; L189-L195 HydrophobicContact CB-CD2 4.34Å; L189-L195 HydrophobicContact CD1-CD2 4.33Å; L195-N197 WeakPolarHBondContact CD1-O 3.49Å; L195-I215 HydrophobicContact CD2-CD1 4.1Å; L195-L219 HydrophobicContact CD2-CD2 4.37Å; L195-L219 HydrophobicContact CG-CD2 4.1Å; L195-L219 WeakPolarHBondContact O-CD2 3.36Å
196K94.1Very high94.3Very high88 Ų8843 Ų4338%0.38322%0.217SC..  trans-104.1-36.6176.8-67.1171.1-162.21670111.5V169 Q194 L219 Q220 S221V169-K196 HydrophobicContact CG1-CB 4.18Å; V169-K196 HydrophobicContact CG1-CD 3.67Å; V169-K196 HydrophobicContact CG1-CG 4.08Å; V169-K196 PolarHBondContact O-N 3.08Å; Q194-K196 PolarHBondContact O-N 3.2Å; Q194-K196 VanDerWaalsContact O-N 3.09Å; K196-L219 CarbonylContact O-C 3.57Å; K196-L219 VanDerWaalsContact O-CA 3.31Å; K196-L219 WeakPolarHBondContact O-CA 3.49Å; K196-L219 WeakPolarHBondContact O-CB 3.44Å; K196-L219 WeakPolarHBondContact O-CD2 3.37Å; K196-Q220 HydrophobicContact CB-CB 4.25Å; K196-Q220 HydrophobicContact CB-CG 4.12Å; K196-Q220 HydrophobicContact CG-CG 4.37Å; K196-Q220 PolarHBondContact O-N 3.13Å; K196-S221 PolarHBondContact O-N 3.06Å
197N94.2Very high94.3Very high13 Ų1345.6 Ų45.67%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-123.3132-174.3-62.4-24.6000110.9V169 S170 L171 L195 S221 T283V169-N197 PolarHBondContact O-N 2.86Å; V169-N197 VanDerWaalsContact O-N 3.09Å; S170-N197 WeakPolarHBondContact CA-O 3.45Å; S170-N197 WeakPolarHBondContact OG-CB 3.32Å; L171-N197 PolarHBondContact N-O 3.49Å; L195-N197 WeakPolarHBondContact CD1-O 3.49Å; N197-S221 WeakPolarHBondContact CA-O 3.39Å; N197-S221 WeakPolarHBondContact OD1-CB 3.42Å; N197-S221 PolarHBondContact OD1-N 3.06Å; N197-T283 PolarHBondContact ND2-OG1 2.82Å
198L95.7Very high94.4Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-133.9118.4175.5179.463.7000110.3L171 M173 L186 I200 F216 L219 S221 L222 S223L171-L198 HydrophobicContact CB-CD1 4.16Å; L171-L198 HydrophobicContact CD2-CD1 3.98Å; L171-L198 HydrophobicContact CG-CD1 4.11Å; L171-L198 WeakPolarHBondContact O-CA 3.25Å; M173-L198 HydrophobicContact CE-CD1 4.27Å; L186-L198 HydrophobicContact CD1-CD2 4.14Å; L198-I200 HydrophobicContact CD1-CG2 3.98Å; L198-I200 HydrophobicContact CG-CG2 4.18Å; L198-F216 HydrophobicContact CD2-CD1 4.39Å; L198-F216 HydrophobicContact CD2-CE1 3.49Å; L198-F216 VanDerWaalsContact CD2-CE1 3.49Å; L198-F216 HydrophobicContact CD2-CZ 3.93Å; L198-L219 HydrophobicContact CB-CD1 3.77Å; L198-L219 HydrophobicContact CB-CD2 4.47Å; L198-L219 HydrophobicContact CD2-CD1 4.43Å; L198-S221 PolarHBondContact N-O 3.19Å; L198-S221 VanDerWaalsContact N-O 3.11Å; L198-L222 HydrophobicContact CB-CD1 4.32Å; L198-L222 HydrophobicContact CD2-CD1 4.34Å; L198-L222 HydrophobicContact CG-CD1 4.5Å; L198-L222 WeakPolarHBondContact O-CA 3.26Å; L198-S223 PolarHBondContact O-N 3.04Å
199H95.4Very high94.4Very high21 Ų2145 Ų4510%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-116.4116.1180-55-69.3000110.6L171 M173 N174 S221 S223L171-H199 PolarHBondContact O-N 2.85Å; M173-H199 PolarHBondContact N-O 3.26Å; N174-H199 WeakPolarHBondContact OD1-CB 3.5Å; N174-H199 PolarHBondContact OD1-O 2.95Å; H199-S221 PolarHBondContact CE1-OG 3.12Å; H199-S223 VanDerWaalsContact CA-OG 3.22Å; H199-S223 WeakPolarHBondContact CA-OG 3.36Å; H199-S223 VanDerWaalsContact CB-OG 3.3Å; H199-S223 WeakPolarHBondContact CB-OG 3.15Å; H199-S223 PolarHBondContact ND1-OG 3.03Å; H199-S223 VanDerWaalsContact ND1-OG 3.12Å
200I96Very high94.4Very high0 Ų048.4 Ų48.40%025%0.252CS..  trans-137.229.9-17759.4179.4000112.1M173 N174 L181 L198 N203 L205 S223 L224 N227M173-I200 HydrophobicContact CB-CG2 4.44Å; M173-I200 HydrophobicContact CE-CG2 3.82Å; N174-I200 PolarHBondContact OD1-N 3.25Å; L181-I200 HydrophobicContact CD2-CD1 3.46Å; L181-I200 VanDerWaalsContact CD2-CD1 3.46Å; L181-I200 HydrophobicContact CD2-CG2 4.47Å; L198-I200 HydrophobicContact CD1-CG2 3.98Å; L198-I200 HydrophobicContact CG-CG2 4.18Å; I200-N203 VanDerWaalsContact C-ND2 3.29Å; I200-N203 PolarHBondContact O-ND2 3.29Å; I200-L205 HydrophobicContact CB-CD1 4.41Å; I200-L205 HydrophobicContact CD1-CD1 3.79Å; I200-L205 HydrophobicContact CG1-CD1 4.21Å; I200-S223 VanDerWaalsContact CG1-O 3.31Å; I200-S223 WeakPolarHBondContact CG1-O 3.48Å; I200-S223 PolarHBondContact N-O 3.39Å; I200-L224 HydrophobicContact CD1-CD2 3.67Å; I200-L224 HydrophobicContact CG1-CD2 3.77Å; I200-N227 PolarHBondContact O-ND2 3.09Å
201S94.9Very high94.5Very high20 Ų2052 Ų5214%0.1426%0.263CS..THydrogen-bonded Turntrans-77.4156.8179.957.70000113N174 Q175 N203 E225N174-S201 CarbonylContact C-O 3.39Å; N174-S201 WeakPolarHBondContact CA-O 3.33Å; N174-S201 PolarHBondContact OD1-N 2.89Å; N174-S201 PolarHBondContact OD1-OG 3.11Å; Q175-S201 PolarHBondContact N-O 3.46Å; S201-N203 VanDerWaalsContact C-N 3.27Å; S201-N203 PolarHBondContact O-N 2.87Å; S201-E225 CarbonylContact C-O 3.54Å; S201-E225 WeakPolarHBondContact CA-O 3.29Å; S201-E225 WeakPolarHBondContact CB-O 3.41Å; S201-E225 WeakPolarHBondContact CB-OE2 3.31Å; S201-E225 PolarHBondContact OG-OE2 2.97Å
202G95Very high94.6Very high18 Ų1846.8 Ų46.819%0.18624%0.235CC..THydrogen-bonded Turntrans69.918.1-177.600000114.9Q175 E225Q175-G202 WeakPolarHBondContact CA-O 3.46Å; G202-E225 PolarHBondContact N-O 3.42Å
203N97.6Very high94.7Very high0 Ų047.6 Ų47.60%024%0.235CC..SBendtrans-92-173177.8-78.9-65.4000111.9M173 C176 G177 L178 I200 S201 L205 N227 P228M173-N203 PolarHBondContact O-ND2 2.88Å; C176-N203 PolarHBondContact N-OD1 3.21Å; C176-N203 VanDerWaalsContact N-OD1 3.08Å; G177-N203 PolarHBondContact N-OD1 2.83Å; L178-N203 HydrophobicContact CB-CB 4.1Å; L178-N203 PolarHBondContact N-OD1 3.42Å; I200-N203 VanDerWaalsContact C-ND2 3.29Å; I200-N203 PolarHBondContact O-ND2 3.29Å; S201-N203 VanDerWaalsContact C-N 3.27Å; S201-N203 PolarHBondContact O-N 2.87Å; N203-L205 HydrophobicContact CB-CD1 4.34Å; N203-L205 HydrophobicContact CB-CG 4.09Å; N203-N227 VanDerWaalsContact CA-OD1 3.3Å; N203-N227 WeakPolarHBondContact CA-OD1 3.31Å; N203-N227 WeakPolarHBondContact CB-OD1 3.43Å; N203-N227 PolarHBondContact N-OD1 3.11Å; N203-N227 PolarHBondContact O-OD1 2.97Å; N203-P228 VanDerWaalsContact O-CD 3.3Å; N203-P228 WeakPolarHBondContact O-CD 3.41Å
204Q96.7Very high94.8Very high105 Ų10543 Ų4349%0.49122%0.224SC..  trans-108.730.7-178.7-65.5-66.4-45.300111.4L178 K179 I206L178-Q204 CarbonylContact O-C 3.4Å; L178-Q204 VanDerWaalsContact O-CA 3.29Å; L178-Q204 WeakPolarHBondContact O-CA 3.3Å; L178-Q204 PolarHBondContact O-N 3Å; K179-Q204 HydrophobicContact CG-CB 4.13Å; Q204-I206 PolarHBondContact O-N 3.37Å
205L96.1Very high94.6Very high0 Ų040 Ų400%021%0.211CC..  trans-73.6110.7-177.1-57.3169.6000110.4L178 L181 I200 N203 L208 N227 F229L178-L205 HydrophobicContact CB-CD2 4.21Å; L178-L205 WeakPolarHBondContact O-CD2 3.4Å; L178-L205 PolarHBondContact O-N 3.13Å; L181-L205 HydrophobicContact CB-CD2 4.15Å; I200-L205 HydrophobicContact CB-CD1 4.41Å; I200-L205 HydrophobicContact CD1-CD1 3.79Å; I200-L205 HydrophobicContact CG1-CD1 4.21Å; N203-L205 HydrophobicContact CB-CD1 4.34Å; N203-L205 HydrophobicContact CB-CG 4.09Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L205-N227 HydrophobicContact CB-CB 4.26Å; L205-N227 VanDerWaalsContact CB-OD1 3.23Å; L205-N227 WeakPolarHBondContact CB-OD1 3.44Å; L205-N227 VanDerWaalsContact CG-OD1 3.3Å; L205-N227 WeakPolarHBondContact CG-OD1 3.33Å; L205-N227 PolarHBondContact N-OD1 2.89Å; L205-N227 VanDerWaalsContact N-OD1 3.09Å; L205-F229 HydrophobicContact CB-CE1 4.14Å; L205-F229 WeakPolarHBondContact O-CD1 3.35Å
206I94.7Very high94.5Very high98 Ų9839.3 Ų39.350%0.50321%0.207SC..  trans-83-31.1177.4-59.8173.4000110.9Q204 P228 F229 N230Q204-I206 PolarHBondContact O-N 3.37Å; I206-P228 HydrophobicContact CG1-CG 4.34Å; I206-F229 WeakPolarHBondContact O-CA 3.45Å; I206-N230 HydrophobicContact CG2-CB 3.66Å; I206-N230 PolarHBondContact O-N 3.38Å
207T94.4Very high94.4Very high55 Ų5536.7 Ų36.734%0.33720%0.197SC..  trans-155.1169.3178.1-1660000110.8
208L95.4Very high94.1Very high5 Ų543.2 Ų43.23%0.02623%0.227CC..  trans-135139.4-178.3-72.9163.6000110L181 L205 S210 L212 F216 L224 F229 L235 W237 L238L181-L208 HydrophobicContact CB-CD2 4.26Å; L181-L208 HydrophobicContact CD2-CD2 4.43Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L208-S210 PolarHBondContact O-N 2.9Å; L208-L212 HydrophobicContact CD2-CD1 4.14Å; L208-F216 HydrophobicContact CD1-CE2 4.25Å; L208-L224 HydrophobicContact CD1-CD2 4.16Å; L208-F229 HydrophobicContact CD1-CE1 3.74Å; L208-F229 HydrophobicContact CD1-CZ 3.97Å; L208-F229 HydrophobicContact CG-CE1 4.12Å; L208-L235 HydrophobicContact CB-CD1 4.18Å; L208-W237 HydrophobicContact CB-CH2 4.32Å; L208-W237 HydrophobicContact CB-CZ2 3.66Å; L208-W237 WeakPolarHBondContact O-CZ2 3.25Å; L208-W237 PolarHBondContact O-NE1 3.44Å; L208-W237 VanDerWaalsContact O-NE1 3.14Å; L208-L238 HydrophobicContact CD1-CD2 4.26Å
209E93.8Very high93.9Very high60 Ų6043.3 Ų43.328%0.2823%0.227SC..  trans-67.1131179.7-65.4-165.8-119.600112.1S182 Y183 R211 L212 W237S182-E209 WeakPolarHBondContact CA-OE1 3.32Å; S182-E209 WeakPolarHBondContact CB-OE1 3.4Å; S182-E209 PolarHBondContact OG-OE1 3.28Å; Y183-E209 PolarHBondContact N-OE1 3.06Å; E209-R211 HydrophobicContact CB-CB 4.48Å; E209-R211 PolarHBondContact O-N 2.87Å; E209-R211 IonicContact OE1-NH2 3.64Å; E209-R211 PolarHBondContact OE1-NH2 2.84Å; E209-R211 IonicContact OE2-CZ 2.76Å; E209-R211 IonicContact OE2-NE 3.32Å; E209-R211 PolarHBondContact OE2-NE 2.88Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 2.83Å; E209-L212 HydrophobicContact CB-CD1 4.46Å; E209-L212 HydrophobicContact CB-CG 4.42Å; E209-L212 VanDerWaalsContact O-CB 3.27Å; E209-L212 WeakPolarHBondContact O-CB 3.24Å; E209-L212 WeakPolarHBondContact O-CG 3.5Å; E209-L212 PolarHBondContact O-N 3.27Å; E209-W237 VanDerWaalsContact O-CZ2 3.27Å; E209-W237 WeakPolarHBondContact O-CZ2 3.39Å
210S93.1Very high93.6Very high73 Ų7347.5 Ų47.551%0.5125%0.247SC..G310 helixtrans-59.2-20.9174.256.30000114.1L208 L212 E213L208-S210 PolarHBondContact O-N 2.9Å; S210-L212 PolarHBondContact O-N 3.32Å; S210-L212 VanDerWaalsContact O-N 3.09Å; S210-E213 WeakPolarHBondContact O-CB 3.49Å; S210-E213 PolarHBondContact O-N 3.01Å
211R93.9Very high93.3Very high112 Ų11247.6 Ų47.642%0.42325%0.248SC..G310 helixtrans-58-17.7169.9-61.8-165.6-70.6157.5-0.2113.3Y183 N184 E209 P214Y183-R211 HydrophobicContact CD2-CB 3.6Å; Y183-R211 VanDerWaalsContact CD2-O 3.25Å; Y183-R211 WeakPolarHBondContact CD2-O 3.12Å; Y183-R211 HydrophobicContact CE2-CB 4.25Å; Y183-R211 WeakPolarHBondContact CE2-O 3.33Å; Y183-R211 HydrophobicContact CG-CB 3.83Å; N184-R211 PolarHBondContact OD1-NH1 3.38Å; N184-R211 PolarHBondContact OD1-NH2 2.9Å; E209-R211 HydrophobicContact CB-CB 4.48Å; E209-R211 PolarHBondContact O-N 2.87Å; E209-R211 IonicContact OE1-NH2 3.64Å; E209-R211 PolarHBondContact OE1-NH2 2.84Å; E209-R211 IonicContact OE2-CZ 2.76Å; E209-R211 IonicContact OE2-NE 3.32Å; E209-R211 PolarHBondContact OE2-NE 2.88Å; E209-R211 IonicContact OE2-NH2 2.73Å; E209-R211 PolarHBondContact OE2-NH2 2.83Å; R211-P214 WeakPolarHBondContact O-CD 3.41Å
212L94.4Very high93.2Very high0 Ų047 Ų470%024%0.243CC..G310 helixtrans-83.1-14.9176.7-62.7170.4000113.8Y183 L186 L208 E209 S210 P214 I215 F216 W237Y183-L212 HydrophobicContact CD2-CD2 4.27Å; L186-L212 HydrophobicContact CD1-CD2 3.95Å; L208-L212 HydrophobicContact CD2-CD1 4.14Å; E209-L212 HydrophobicContact CB-CD1 4.46Å; E209-L212 HydrophobicContact CB-CG 4.42Å; E209-L212 VanDerWaalsContact O-CB 3.27Å; E209-L212 WeakPolarHBondContact O-CB 3.24Å; E209-L212 WeakPolarHBondContact O-CG 3.5Å; E209-L212 PolarHBondContact O-N 3.27Å; S210-L212 PolarHBondContact O-N 3.32Å; S210-L212 VanDerWaalsContact O-N 3.09Å; L212-P214 VanDerWaalsContact C-CD 3.46Å; L212-P214 VanDerWaalsContact C-N 3.35Å; L212-I215 HydrophobicContact CD2-CG2 4.41Å; L212-I215 VanDerWaalsContact O-CG2 3.31Å; L212-I215 WeakPolarHBondContact O-CG2 3.15Å; L212-I215 PolarHBondContact O-N 3.2Å; L212-F216 HydrophobicContact CB-CD1 4.3Å; L212-F216 HydrophobicContact CB-CD2 4.36Å; L212-F216 HydrophobicContact CB-CE1 4.19Å; L212-F216 HydrophobicContact CB-CE2 4.29Å; L212-F216 HydrophobicContact CB-CG 4.38Å; L212-F216 HydrophobicContact CB-CZ 4.2Å; L212-F216 HydrophobicContact CD1-CE1 4.45Å; L212-F216 HydrophobicContact CD1-CE2 4.33Å; L212-F216 HydrophobicContact CD1-CZ 3.94Å; L212-F216 HydrophobicContact CD2-CE1 4.38Å; L212-F216 HydrophobicContact CG-CZ 4.5Å; L212-F216 WeakPolarHBondContact O-CB 3.42Å; L212-F216 PolarHBondContact O-N 3.13Å; L212-W237 HydrophobicContact CB-CH2 4.11Å
213E93.8Very high93.1Very high47 Ų4746.3 Ų46.322%0.2224%0.235CC..Hα-helixtrans-50.9-45.9-178.1-165.9-172162.900113.1S210 I215 F216 L217 W237 L241 K244S210-E213 WeakPolarHBondContact O-CB 3.49Å; S210-E213 PolarHBondContact O-N 3.01Å; E213-I215 PolarHBondContact O-N 2.29Å; E213-F216 PolarHBondContact O-N 1.89Å; E213-L217 WeakPolarHBondContact O-CB 3.5Å; E213-L217 PolarHBondContact O-N 3.36Å; E213-W237 HydrophobicContact CB-CE3 3.71Å; E213-W237 HydrophobicContact CB-CZ3 3.94Å; E213-W237 HydrophobicContact CG-CE3 3.93Å; E213-W237 HydrophobicContact CG-CZ3 4.32Å; E213-L241 HydrophobicContact CB-CD1 4.3Å; E213-L241 HydrophobicContact CG-CB 4.27Å; E213-L241 HydrophobicContact CG-CD1 3.57Å; E213-L241 VanDerWaalsContact O-CD1 3.25Å; E213-L241 WeakPolarHBondContact O-CD1 3.44Å; E213-K244 IonicContact OE1-NZ 3.99Å; E213-K244 PolarHBondContact OE1-NZ 3.35Å
214P91.8Very high93Very high86 Ų8646.4 Ų46.456%0.55824%0.236SC*.Hα-helixtrans-62.9-41-177.3-23.735.8000113.6R211 L212 H218R211-P214 WeakPolarHBondContact O-CD 3.41Å; L212-P214 VanDerWaalsContact C-CD 3.46Å; L212-P214 VanDerWaalsContact C-N 3.35Å; P214-H218 PolarHBondContact O-ND1 3.26Å
215I90.6Very high92.8Very high24 Ų2442.2 Ų42.212%0.12322%0.216CC..Hα-helixtrans-74.8-44.9177.5175.8158.9000111.1I190 L195 L212 E213 L217 H218 L219I190-I215 HydrophobicContact CB-CD1 4.45Å; I190-I215 HydrophobicContact CD1-CG2 4.03Å; I190-I215 HydrophobicContact CG1-CB 4.16Å; I190-I215 HydrophobicContact CG1-CD1 3.49Å; I190-I215 VanDerWaalsContact CG1-CD1 3.49Å; I190-I215 HydrophobicContact CG1-CG1 4.4Å; I190-I215 HydrophobicContact CG1-CG2 4.1Å; L195-I215 HydrophobicContact CD2-CD1 4.1Å; L212-I215 HydrophobicContact CD2-CG2 4.41Å; L212-I215 VanDerWaalsContact O-CG2 3.31Å; L212-I215 WeakPolarHBondContact O-CG2 3.15Å; L212-I215 PolarHBondContact O-N 3.2Å; E213-I215 PolarHBondContact O-N 2.29Å; I215-L217 PolarHBondContact O-N 3.23Å; I215-L217 VanDerWaalsContact O-N 3.09Å; I215-H218 PolarHBondContact O-N 3.49Å; I215-L219 HydrophobicContact CG1-CD2 4.33Å; I215-L219 HydrophobicContact CG1-CG 4.39Å; I215-L219 PolarHBondContact O-N 2.79Å
216F94Very high92.7Very high0 Ų048.4 Ų48.40%025%0.245CC..Hα-helixtrans-61.8-23-178.5-77.516000112.5L181 L186 L198 L208 L212 E213 L219 L222 L224 W237 L241 R245L181-F216 HydrophobicContact CD2-CZ 4.42Å; L186-F216 HydrophobicContact CD1-CE1 4.42Å; L198-F216 HydrophobicContact CD2-CD1 4.39Å; L198-F216 HydrophobicContact CD2-CE1 3.49Å; L198-F216 VanDerWaalsContact CD2-CE1 3.49Å; L198-F216 HydrophobicContact CD2-CZ 3.93Å; L208-F216 HydrophobicContact CD1-CE2 4.25Å; L212-F216 HydrophobicContact CB-CD1 4.3Å; L212-F216 HydrophobicContact CB-CD2 4.36Å; L212-F216 HydrophobicContact CB-CE1 4.19Å; L212-F216 HydrophobicContact CB-CE2 4.29Å; L212-F216 HydrophobicContact CB-CG 4.38Å; L212-F216 HydrophobicContact CB-CZ 4.2Å; L212-F216 HydrophobicContact CD1-CE1 4.45Å; L212-F216 HydrophobicContact CD1-CE2 4.33Å; L212-F216 HydrophobicContact CD1-CZ 3.94Å; L212-F216 HydrophobicContact CD2-CE1 4.38Å; L212-F216 HydrophobicContact CG-CZ 4.5Å; L212-F216 WeakPolarHBondContact O-CB 3.42Å; L212-F216 PolarHBondContact O-N 3.13Å; E213-F216 PolarHBondContact O-N 1.89Å; F216-L219 HydrophobicContact CD1-CD1 4.01Å; F216-L222 HydrophobicContact CB-CD2 3.77Å; F216-L222 HydrophobicContact CD1-CD1 4.43Å; F216-L222 HydrophobicContact CD1-CD2 4.5Å; F216-L222 HydrophobicContact CD2-CD1 4.3Å; F216-L222 HydrophobicContact CD2-CD2 3.71Å; F216-L222 HydrophobicContact CE1-CD1 4.42Å; F216-L222 HydrophobicContact CE2-CD1 4.26Å; F216-L222 HydrophobicContact CE2-CD2 4.41Å; F216-L222 HydrophobicContact CG-CD1 4.38Å; F216-L222 HydrophobicContact CG-CD2 3.76Å; F216-L222 HydrophobicContact CZ-CD1 4.33Å; F216-L224 HydrophobicContact CE2-CD2 4.37Å; F216-W237 HydrophobicContact CD2-CH2 4.05Å; F216-W237 HydrophobicContact CD2-CZ3 4.41Å; F216-W237 HydrophobicContact CE2-CH2 4.4Å; F216-L241 HydrophobicContact CB-CD1 3.58Å; F216-L241 HydrophobicContact CB-CD2 3.94Å; F216-L241 HydrophobicContact CB-CG 4.41Å; F216-R245 WeakPolarHBondContact O-CD 3.33Å; F216-R245 PolarHBondContact O-NH1 3.04Å
217L91.1Very high92.8Very high34 Ų3444.2 Ų44.218%0.17822%0.224CC..Hα-helixtrans-76.7-26.6174.9-173.859.1000113.1E213 I215 L241 K244 R245 Q248E213-L217 WeakPolarHBondContact O-CB 3.5Å; E213-L217 PolarHBondContact O-N 3.36Å; I215-L217 PolarHBondContact O-N 3.23Å; I215-L217 VanDerWaalsContact O-N 3.09Å; L217-L241 HydrophobicContact CB-CD1 4Å; L217-K244 HydrophobicContact CD1-CB 3.64Å; L217-K244 HydrophobicContact CD1-CD 4.16Å; L217-K244 HydrophobicContact CD2-CD 4.28Å; L217-R245 HydrophobicContact CD1-CG 4.43Å; L217-Q248 PolarHBondContact O-OE1 3Å
218H88.2Confident92.9Very high150 Ų15042.7 Ų42.769%0.69421%0.214SC*.Hα-helixtrans-94.8-18.7-177.4-69.892.6000114.2P214 I215P214-H218 PolarHBondContact O-ND1 3.26Å; I215-H218 PolarHBondContact O-N 3.49Å
219L91.3Very high92.9Very high2 Ų242.4 Ų42.41%0.0121%0.213CC..  trans-53142.3176.3-68.6175000112L195 K196 L198 I215 F216 L222 R245L195-L219 HydrophobicContact CD2-CD2 4.37Å; L195-L219 HydrophobicContact CG-CD2 4.1Å; L195-L219 WeakPolarHBondContact O-CD2 3.36Å; K196-L219 CarbonylContact O-C 3.57Å; K196-L219 VanDerWaalsContact O-CA 3.31Å; K196-L219 WeakPolarHBondContact O-CA 3.49Å; K196-L219 WeakPolarHBondContact O-CB 3.44Å; K196-L219 WeakPolarHBondContact O-CD2 3.37Å; L198-L219 HydrophobicContact CB-CD1 3.77Å; L198-L219 HydrophobicContact CB-CD2 4.47Å; L198-L219 HydrophobicContact CD2-CD1 4.43Å; I215-L219 HydrophobicContact CG1-CD2 4.33Å; I215-L219 HydrophobicContact CG1-CG 4.39Å; I215-L219 PolarHBondContact O-N 2.79Å; F216-L219 HydrophobicContact CD1-CD1 4.01Å; L219-L222 HydrophobicContact CD1-CB 4.02Å; L219-L222 HydrophobicContact CD1-CD1 3.84Å; L219-L222 HydrophobicContact CD1-CD2 4.41Å; L219-L222 HydrophobicContact CD1-CG 4.3Å; L219-R245 VanDerWaalsContact O-CZ 3.32Å; L219-R245 PolarHBondContact O-NH1 3.27Å; L219-R245 PolarHBondContact O-NH2 3.37Å
220Q89.1Confident92.8Very high108 Ų10840.9 Ų40.951%0.50521%0.207SC..SBendtrans-72.5-50.2169.4-67.2-175.1-25.600110.4K196 R245K196-Q220 HydrophobicContact CB-CB 4.25Å; K196-Q220 HydrophobicContact CB-CG 4.12Å; K196-Q220 HydrophobicContact CG-CG 4.37Å; K196-Q220 PolarHBondContact O-N 3.13Å; Q220-R245 PolarHBondContact O-NH2 3.41Å; Q220-R245 VanDerWaalsContact O-NH2 3.11Å
221S89.9Confident92.8Very high2 Ų237.5 Ų37.51%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-123.2144.5169.9-1730000113.8K196 N197 L198 H199 D286K196-S221 PolarHBondContact O-N 3.06Å; N197-S221 WeakPolarHBondContact CA-O 3.39Å; N197-S221 WeakPolarHBondContact OD1-CB 3.42Å; N197-S221 PolarHBondContact OD1-N 3.06Å; L198-S221 PolarHBondContact N-O 3.19Å; L198-S221 VanDerWaalsContact N-O 3.11Å; H199-S221 PolarHBondContact CE1-OG 3.12Å; S221-D286 WeakPolarHBondContact CA-OD1 3.46Å; S221-D286 WeakPolarHBondContact CB-OD1 3.33Å; S221-D286 PolarHBondContact OG-OD1 3.43Å
222L92.9Very high92.4Very high9 Ų932.6 Ų32.65%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-145.8112.3179.1173.560.2000109.8L198 F216 L219 L224 L241 D286L198-L222 HydrophobicContact CB-CD1 4.32Å; L198-L222 HydrophobicContact CD2-CD1 4.34Å; L198-L222 HydrophobicContact CG-CD1 4.5Å; L198-L222 WeakPolarHBondContact O-CA 3.26Å; F216-L222 HydrophobicContact CB-CD2 3.77Å; F216-L222 HydrophobicContact CD1-CD1 4.43Å; F216-L222 HydrophobicContact CD1-CD2 4.5Å; F216-L222 HydrophobicContact CD2-CD1 4.3Å; F216-L222 HydrophobicContact CD2-CD2 3.71Å; F216-L222 HydrophobicContact CE1-CD1 4.42Å; F216-L222 HydrophobicContact CE2-CD1 4.26Å; F216-L222 HydrophobicContact CE2-CD2 4.41Å; F216-L222 HydrophobicContact CG-CD1 4.38Å; F216-L222 HydrophobicContact CG-CD2 3.76Å; F216-L222 HydrophobicContact CZ-CD1 4.33Å; L219-L222 HydrophobicContact CD1-CB 4.02Å; L219-L222 HydrophobicContact CD1-CD1 3.84Å; L219-L222 HydrophobicContact CD1-CD2 4.41Å; L219-L222 HydrophobicContact CD1-CG 4.3Å; L222-L224 HydrophobicContact CD1-CD2 3.92Å; L222-L224 HydrophobicContact CD1-CG 4.18Å; L222-L224 HydrophobicContact CD2-CD1 4.27Å; L222-L224 HydrophobicContact CG-CD1 4.32Å; L222-L224 HydrophobicContact CG-CD2 4.36Å; L222-L224 HydrophobicContact CG-CG 4.08Å; L222-L241 HydrophobicContact CD2-CD2 4.2Å; L222-D286 PolarHBondContact N-OD1 3.23Å
223S93Very high92.1Very high3 Ų334.1 Ų34.12%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-110.1126.7177.679.90000112.4L198 H199 I200 E225L198-S223 PolarHBondContact O-N 3.04Å; H199-S223 VanDerWaalsContact CA-OG 3.22Å; H199-S223 WeakPolarHBondContact CA-OG 3.36Å; H199-S223 VanDerWaalsContact CB-OG 3.3Å; H199-S223 WeakPolarHBondContact CB-OG 3.15Å; H199-S223 PolarHBondContact ND1-OG 3.03Å; H199-S223 VanDerWaalsContact ND1-OG 3.12Å; I200-S223 VanDerWaalsContact CG1-O 3.31Å; I200-S223 WeakPolarHBondContact CG1-O 3.48Å; I200-S223 PolarHBondContact N-O 3.39Å; S223-E225 WeakPolarHBondContact CA-OE1 3.36Å; S223-E225 WeakPolarHBondContact CB-OE1 3.11Å; S223-E225 WeakPolarHBondContact CB-OE2 3.46Å
224L94.3Very high91.8Very high2 Ų237 Ų371%0.0119%0.187CC..  trans-128.60.6-169.7-64.7-179.5000113.3I200 L208 F216 L222 N227 F229 L238 P292I200-L224 HydrophobicContact CD1-CD2 3.67Å; I200-L224 HydrophobicContact CG1-CD2 3.77Å; L208-L224 HydrophobicContact CD1-CD2 4.16Å; F216-L224 HydrophobicContact CE2-CD2 4.37Å; L222-L224 HydrophobicContact CD1-CD2 3.92Å; L222-L224 HydrophobicContact CD1-CG 4.18Å; L222-L224 HydrophobicContact CD2-CD1 4.27Å; L222-L224 HydrophobicContact CG-CD1 4.32Å; L222-L224 HydrophobicContact CG-CD2 4.36Å; L222-L224 HydrophobicContact CG-CG 4.08Å; L224-N227 PolarHBondContact O-ND2 3.2Å; L224-F229 HydrophobicContact CB-CE2 4.26Å; L224-F229 HydrophobicContact CB-CZ 4.25Å; L224-F229 VanDerWaalsContact O-CE2 3.3Å; L224-F229 WeakPolarHBondContact O-CE2 3.47Å; L224-L238 HydrophobicContact CD1-CD1 3.88Å; L224-L238 HydrophobicContact CD1-CD2 4.26Å; L224-P292 HydrophobicContact CB-CB 4.06Å; L224-P292 HydrophobicContact CB-CG 4.44Å
225E93Very high91.8Very high17 Ų1732.9 Ų32.98%0.07916%0.161CC..THydrogen-bonded Turntrans-67.9165.8-166.2-45.574.1-124.700112.7S201 G202 S223 N227 L290S201-E225 CarbonylContact C-O 3.54Å; S201-E225 WeakPolarHBondContact CA-O 3.29Å; S201-E225 WeakPolarHBondContact CB-O 3.41Å; S201-E225 WeakPolarHBondContact CB-OE2 3.31Å; S201-E225 PolarHBondContact OG-OE2 2.97Å; G202-E225 PolarHBondContact N-O 3.42Å; S223-E225 WeakPolarHBondContact CA-OE1 3.36Å; S223-E225 WeakPolarHBondContact CB-OE1 3.11Å; S223-E225 WeakPolarHBondContact CB-OE2 3.46Å; E225-N227 PolarHBondContact O-N 3Å; E225-N227 PolarHBondContact O-ND2 2.94Å; E225-L290 HydrophobicContact CB-CB 4.34Å; E225-L290 HydrophobicContact CG-CB 3.85Å; E225-L290 WeakPolarHBondContact CG-O 3.16Å
226Q93.8Very high91.8Very high130 Ų13032.8 Ų32.861%0.60716%0.163SC*.THydrogen-bonded Turntrans56.124.2175-55.1174.8-0.800114.1
227N97Very high91.7Very high10 Ų1033.8 Ų33.85%0.05317%0.166CC..  trans-98.4142.9171.9-82-78.8000110.9I200 N203 L205 L224 E225 F229I200-N227 PolarHBondContact O-ND2 3.09Å; N203-N227 VanDerWaalsContact CA-OD1 3.3Å; N203-N227 WeakPolarHBondContact CA-OD1 3.31Å; N203-N227 WeakPolarHBondContact CB-OD1 3.43Å; N203-N227 PolarHBondContact N-OD1 3.11Å; N203-N227 PolarHBondContact O-OD1 2.97Å; L205-N227 HydrophobicContact CB-CB 4.26Å; L205-N227 VanDerWaalsContact CB-OD1 3.23Å; L205-N227 WeakPolarHBondContact CB-OD1 3.44Å; L205-N227 VanDerWaalsContact CG-OD1 3.3Å; L205-N227 WeakPolarHBondContact CG-OD1 3.33Å; L205-N227 PolarHBondContact N-OD1 2.89Å; L205-N227 VanDerWaalsContact N-OD1 3.09Å; L224-N227 PolarHBondContact O-ND2 3.2Å; E225-N227 PolarHBondContact O-N 3Å; E225-N227 PolarHBondContact O-ND2 2.94Å; N227-F229 HydrophobicContact CB-CD1 4.45Å; N227-F229 HydrophobicContact CB-CD2 4Å; N227-F229 HydrophobicContact CB-CE1 4.11Å; N227-F229 HydrophobicContact CB-CE2 3.65Å; N227-F229 HydrophobicContact CB-CG 4.39Å; N227-F229 HydrophobicContact CB-CZ 3.7Å; N227-F229 PolarHBondContact O-N 2.78Å
228P96.1Very high91.9Very high22 Ų2232.1 Ų32.114%0.14316%0.158CC..  trans-80.454.4-176.735.4-38.7000112.8N203 I206 N230 H295N203-P228 VanDerWaalsContact O-CD 3.3Å; N203-P228 WeakPolarHBondContact O-CD 3.41Å; I206-P228 HydrophobicContact CG1-CG 4.34Å; P228-N230 PolarHBondContact O-N 2.9Å; P228-H295 HydrophobicContact CB-CB 4.17Å
229F95.6Very high92Very high0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-59129.7-173.9-70.2-57.1000113.5L205 I206 L208 L224 N227 L235 P292 H295 N296 I305L205-F229 HydrophobicContact CB-CE1 4.14Å; L205-F229 WeakPolarHBondContact O-CD1 3.35Å; I206-F229 WeakPolarHBondContact O-CA 3.45Å; L208-F229 HydrophobicContact CD1-CE1 3.74Å; L208-F229 HydrophobicContact CD1-CZ 3.97Å; L208-F229 HydrophobicContact CG-CE1 4.12Å; L224-F229 HydrophobicContact CB-CE2 4.26Å; L224-F229 HydrophobicContact CB-CZ 4.25Å; L224-F229 VanDerWaalsContact O-CE2 3.3Å; L224-F229 WeakPolarHBondContact O-CE2 3.47Å; N227-F229 HydrophobicContact CB-CD1 4.45Å; N227-F229 HydrophobicContact CB-CD2 4Å; N227-F229 HydrophobicContact CB-CE1 4.11Å; N227-F229 HydrophobicContact CB-CE2 3.65Å; N227-F229 HydrophobicContact CB-CG 4.39Å; N227-F229 HydrophobicContact CB-CZ 3.7Å; N227-F229 PolarHBondContact O-N 2.78Å; F229-L235 HydrophobicContact CB-CD2 3.79Å; F229-L235 HydrophobicContact CD1-CD2 3.96Å; F229-L235 HydrophobicContact CG-CD2 4.02Å; F229-P292 HydrophobicContact CD2-CB 4.34Å; F229-P292 HydrophobicContact CE2-CB 3.92Å; F229-H295 PolarHBondContact O-N 2.74Å; F229-N296 PolarHBondContact O-N 3.13Å; F229-I305 HydrophobicContact CB-CD1 4.08Å; F229-I305 HydrophobicContact CD2-CD1 3.61Å; F229-I305 HydrophobicContact CE2-CD1 4.24Å; F229-I305 HydrophobicContact CG-CD1 3.97Å
230N92.3Very high91.9Very high28 Ų2827.3 Ų27.315%0.1514%0.141CC..EExtended strand (participates in β ladder)trans-85.6106.6162.4-169.743.3000108.7I206 P228 D232 L235 N296I206-N230 HydrophobicContact CG2-CB 3.66Å; I206-N230 PolarHBondContact O-N 3.38Å; P228-N230 PolarHBondContact O-N 2.9Å; N230-D232 WeakPolarHBondContact ND2-CB 3.42Å; N230-D232 PolarHBondContact ND2-OD2 3Å; N230-D232 PolarHBondContact O-N 2.59Å; N230-L235 WeakPolarHBondContact O-CD2 3.4Å; N230-N296 HydrophobicContact CB-CB 4.34Å; N230-N296 WeakPolarHBondContact OD1-CB 3.22Å
231C92.1Very high92.1Very high2 Ų222.1 Ų22.11%0.01412%0.117CC..  trans-77.469.5175-68.90000110.2C294 N296 P297 L300 L308 F313C231-C294 HydrophobicContact CB-CB 3.82Å; C231-C294 WeakPolarHBondContact CB-SG 3.43Å; C231-C294 VanDerWaalsContact SG-CA 3.56Å; C231-C294 WeakPolarHBondContact SG-CB 3.38Å; C231-C294 CovalentContact SG-SG 2.03Å; C231-C294 PolarHBondContact SG-SG 2.8Å; C231-N296 WeakPolarHBondContact CB-O 3.32Å; C231-N296 PolarHBondContact N-O 2.63Å; C231-P297 WeakPolarHBondContact O-CD 3.21Å; C231-L300 HydrophobicContact CB-CD1 3.9Å; C231-L308 HydrophobicContact CB-CD1 4.37Å; C231-F313 VanDerWaalsContact C-CD1 3.48Å; C231-F313 HydrophobicContact CB-CD1 4.2Å; C231-F313 HydrophobicContact CB-CE1 3.64Å; C231-F313 WeakPolarHBondContact O-CD1 3.23Å
232D87.1Confident92.2Very high8 Ų822.4 Ų22.44%0.04312%0.118CC..SBendtrans-101.6179170.669.731.3000111.7N230 K234 L235 S236 F313N230-D232 WeakPolarHBondContact ND2-CB 3.42Å; N230-D232 PolarHBondContact ND2-OD2 3Å; N230-D232 PolarHBondContact O-N 2.59Å; D232-K234 PolarHBondContact O-N 2.99Å; D232-K234 VanDerWaalsContact O-N 3.13Å; D232-K234 WeakPolarHBondContact OD1-CA 3.19Å; D232-K234 WeakPolarHBondContact OD1-CB 3.45Å; D232-K234 PolarHBondContact OD1-N 3.33Å; D232-L235 PolarHBondContact O-N 3.4Å; D232-L235 PolarHBondContact OD1-N 2.76Å; D232-S236 PolarHBondContact O-N 2.73Å; D232-F313 WeakPolarHBondContact O-CD1 3.33Å
233C86.4Confident92Very high33 Ų3325.2 Ų25.222%0.22313%0.133CC..G310 helixtrans-59.2-28.6-176.9-172.90000113.3L235 S236 C315 N462C233-L235 PolarHBondContact O-N 3.12Å; C233-S236 WeakPolarHBondContact O-CB 3.32Å; C233-S236 PolarHBondContact O-N 3.2Å; C233-S236 PolarHBondContact O-OG 2.87Å; C233-C315 VanDerWaalsContact CA-SG 3.58Å; C233-C315 HydrophobicContact CB-CB 3.92Å; C233-C315 WeakPolarHBondContact CB-SG 3.14Å; C233-C315 VanDerWaalsContact SG-CA 3.53Å; C233-C315 WeakPolarHBondContact SG-CB 3.27Å; C233-C315 CovalentContact SG-SG 2.03Å; C233-C315 PolarHBondContact SG-SG 3.5Å; C233-N462 WeakPolarHBondContact CB-OD1 3.3Å; C233-N462 PolarHBondContact N-OD1 3.44Å; C233-N462 VanDerWaalsContact N-OD1 3.16Å
234K87.3Confident91.8Very high106 Ų10629.4 Ų29.446%0.46115%0.151SC..G310 helixtrans-70.1-21.1-179.5-52.9159.1-173.4165.40111.7D232 W237 N462D232-K234 PolarHBondContact O-N 2.99Å; D232-K234 VanDerWaalsContact O-N 3.13Å; D232-K234 WeakPolarHBondContact OD1-CA 3.19Å; D232-K234 WeakPolarHBondContact OD1-CB 3.45Å; D232-K234 PolarHBondContact OD1-N 3.33Å; K234-W237 PolarHBondContact O-NE1 3.39Å; K234-W237 VanDerWaalsContact O-NE1 3.13Å; K234-N462 WeakPolarHBondContact CE-O 3.02Å; K234-N462 PolarHBondContact NZ-O 3.39Å
235L92Very high91.5Very high0 Ų029.7 Ų29.70%015%0.152CC..G310 helixtrans-96.5-6.1176-157.862.7000113.6L208 F229 N230 D232 C233 W237 L238 I305L208-L235 HydrophobicContact CB-CD1 4.18Å; F229-L235 HydrophobicContact CB-CD2 3.79Å; F229-L235 HydrophobicContact CD1-CD2 3.96Å; F229-L235 HydrophobicContact CG-CD2 4.02Å; N230-L235 WeakPolarHBondContact O-CD2 3.4Å; D232-L235 PolarHBondContact O-N 3.4Å; D232-L235 PolarHBondContact OD1-N 2.76Å; C233-L235 PolarHBondContact O-N 3.12Å; L235-W237 PolarHBondContact O-N 3.13Å; L235-W237 VanDerWaalsContact O-N 3.12Å; L235-L238 HydrophobicContact CD1-CB 4.18Å; L235-L238 HydrophobicContact CD1-CD2 3.78Å; L235-L238 HydrophobicContact CD2-CD2 4.47Å; L235-L238 HydrophobicContact CG-CB 4.23Å; L235-L238 HydrophobicContact CG-CD2 4.09Å; L235-L238 VanDerWaalsContact O-CB 3.25Å; L235-L238 WeakPolarHBondContact O-CB 3.21Å; L235-L238 PolarHBondContact O-N 2.68Å; L235-I305 HydrophobicContact CD2-CD1 4Å
236S90.8Very high91Very high23 Ų2330.9 Ų30.916%0.16116%0.157CC..Hα-helixtrans-56.3-31.5-175.462.50000114.6D232 C233 L238 V239D232-S236 PolarHBondContact O-N 2.73Å; C233-S236 WeakPolarHBondContact O-CB 3.32Å; C233-S236 PolarHBondContact O-N 3.2Å; C233-S236 PolarHBondContact O-OG 2.87Å; S236-L238 PolarHBondContact O-N 2.7Å; S236-V239 WeakPolarHBondContact O-CB 3.31Å; S236-V239 PolarHBondContact O-N 3.42Å
237W92.9Very high90.3Very high20 Ų2029 Ų298%0.07615%0.154CC..Hα-helixtrans-61-29.717568.6-90.9000113.2L208 E209 L212 E213 F216 K234 L235 V239 S240 L241L208-W237 HydrophobicContact CB-CH2 4.32Å; L208-W237 HydrophobicContact CB-CZ2 3.66Å; L208-W237 WeakPolarHBondContact O-CZ2 3.25Å; L208-W237 PolarHBondContact O-NE1 3.44Å; L208-W237 VanDerWaalsContact O-NE1 3.14Å; E209-W237 VanDerWaalsContact O-CZ2 3.27Å; E209-W237 WeakPolarHBondContact O-CZ2 3.39Å; L212-W237 HydrophobicContact CB-CH2 4.11Å; E213-W237 HydrophobicContact CB-CE3 3.71Å; E213-W237 HydrophobicContact CB-CZ3 3.94Å; E213-W237 HydrophobicContact CG-CE3 3.93Å; E213-W237 HydrophobicContact CG-CZ3 4.32Å; F216-W237 HydrophobicContact CD2-CH2 4.05Å; F216-W237 HydrophobicContact CD2-CZ3 4.41Å; F216-W237 HydrophobicContact CE2-CH2 4.4Å; K234-W237 PolarHBondContact O-NE1 3.39Å; K234-W237 VanDerWaalsContact O-NE1 3.13Å; L235-W237 PolarHBondContact O-N 3.13Å; L235-W237 VanDerWaalsContact O-N 3.12Å; W237-V239 VanDerWaalsContact C-N 3.28Å; W237-V239 PolarHBondContact O-N 3.23Å; W237-S240 WeakPolarHBondContact O-CB 3.38Å; W237-S240 PolarHBondContact O-N 3.1Å; W237-L241 HydrophobicContact CE3-CB 4.31Å; W237-L241 HydrophobicContact CZ3-CB 4.39Å; W237-L241 HydrophobicContact CZ3-CD1 4.17Å; W237-L241 PolarHBondContact O-N 3.09Å
238L94.2Very high89.4Confident0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-67.4-32-177.7-176.259.3000111.4L208 L224 L235 S236 L241 L242 I305L208-L238 HydrophobicContact CD1-CD2 4.26Å; L224-L238 HydrophobicContact CD1-CD1 3.88Å; L224-L238 HydrophobicContact CD1-CD2 4.26Å; L235-L238 HydrophobicContact CD1-CB 4.18Å; L235-L238 HydrophobicContact CD1-CD2 3.78Å; L235-L238 HydrophobicContact CD2-CD2 4.47Å; L235-L238 HydrophobicContact CG-CB 4.23Å; L235-L238 HydrophobicContact CG-CD2 4.09Å; L235-L238 VanDerWaalsContact O-CB 3.25Å; L235-L238 WeakPolarHBondContact O-CB 3.21Å; L235-L238 PolarHBondContact O-N 2.68Å; S236-L238 PolarHBondContact O-N 2.7Å; L238-L241 HydrophobicContact CD1-CD2 3.95Å; L238-L241 PolarHBondContact O-N 2.91Å; L238-L242 HydrophobicContact CD1-CD1 4.24Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 3.98Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.15Å; L238-L242 PolarHBondContact O-N 3.11Å; L238-I305 HydrophobicContact CB-CG2 4.48Å; L238-I305 HydrophobicContact CD2-CD1 4.08Å; L238-I305 HydrophobicContact CD2-CG2 4.28Å; L238-I305 HydrophobicContact CG-CG2 4.19Å
239V92Very high88.3Confident4 Ų433 Ų332%0.02417%0.169CC..Hα-helixtrans-61.6-50.2171.7-178.10000110.7S236 W237 L241 L242 N243 I305 L308 F313S236-V239 WeakPolarHBondContact O-CB 3.31Å; S236-V239 PolarHBondContact O-N 3.42Å; W237-V239 VanDerWaalsContact C-N 3.28Å; W237-V239 PolarHBondContact O-N 3.23Å; V239-L241 VanDerWaalsContact C-N 3.28Å; V239-L241 PolarHBondContact O-N 2.93Å; V239-L242 PolarHBondContact O-N 3.44Å; V239-N243 WeakPolarHBondContact O-CB 3.44Å; V239-N243 PolarHBondContact O-N 2.88Å; V239-N243 PolarHBondContact O-ND2 3.28Å; V239-I305 HydrophobicContact CG2-CG2 3.76Å; V239-I305 WeakPolarHBondContact CG2-O 3.43Å; V239-L308 WeakPolarHBondContact CG1-O 3.38Å; V239-L308 HydrophobicContact CG2-CB 4.31Å; V239-F313 HydrophobicContact CG2-CE2 3.53Å; V239-F313 HydrophobicContact CG2-CZ 3.34Å
240S89.3Confident86.9Confident46 Ų4641.9 Ų41.932%0.32220%0.202SC..Hα-helixtrans-59.3-40.5176.9-60.20000111.4W237 K244W237-S240 WeakPolarHBondContact O-CB 3.38Å; W237-S240 PolarHBondContact O-N 3.1Å; S240-K244 WeakPolarHBondContact O-CB 3.34Å; S240-K244 WeakPolarHBondContact O-CD 3.46Å; S240-K244 WeakPolarHBondContact O-CG 3.27Å; S240-K244 PolarHBondContact O-N 2.95Å
241L92.8Very high85.7Confident0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-65.4-52.2176.1179.6122.7000112.8E213 F216 L217 L222 W237 L238 V239 N243 K244 R245E213-L241 HydrophobicContact CB-CD1 4.3Å; E213-L241 HydrophobicContact CG-CB 4.27Å; E213-L241 HydrophobicContact CG-CD1 3.57Å; E213-L241 VanDerWaalsContact O-CD1 3.25Å; E213-L241 WeakPolarHBondContact O-CD1 3.44Å; F216-L241 HydrophobicContact CB-CD1 3.58Å; F216-L241 HydrophobicContact CB-CD2 3.94Å; F216-L241 HydrophobicContact CB-CG 4.41Å; L217-L241 HydrophobicContact CB-CD1 4Å; L222-L241 HydrophobicContact CD2-CD2 4.2Å; W237-L241 HydrophobicContact CE3-CB 4.31Å; W237-L241 HydrophobicContact CZ3-CB 4.39Å; W237-L241 HydrophobicContact CZ3-CD1 4.17Å; W237-L241 PolarHBondContact O-N 3.09Å; L238-L241 HydrophobicContact CD1-CD2 3.95Å; L238-L241 PolarHBondContact O-N 2.91Å; V239-L241 VanDerWaalsContact C-N 3.28Å; V239-L241 PolarHBondContact O-N 2.93Å; L241-N243 VanDerWaalsContact C-N 3.29Å; L241-N243 PolarHBondContact O-N 2.94Å; L241-K244 WeakPolarHBondContact O-CB 3.27Å; L241-K244 PolarHBondContact O-N 3.41Å; L241-K244 VanDerWaalsContact O-N 3.13Å; L241-R245 HydrophobicContact CD2-CG 4.47Å; L241-R245 WeakPolarHBondContact O-CG 3.44Å; L241-R245 PolarHBondContact O-N 3.27Å
242L91.6Very high84.1Confident8 Ų850.5 Ų50.54%0.04224%0.241CC..Hα-helixtrans-62.9-39.3-176.9-68.7170.4000110.8L238 V239 R245 Q246 P292 I305 E306L238-L242 HydrophobicContact CD1-CD1 4.24Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 3.98Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CB 3.49Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.15Å; L238-L242 PolarHBondContact O-N 3.11Å; V239-L242 PolarHBondContact O-N 3.44Å; L242-R245 PolarHBondContact O-N 2.91Å; L242-Q246 WeakPolarHBondContact O-CG 3.44Å; L242-Q246 PolarHBondContact O-N 3.35Å; L242-P292 HydrophobicContact CD1-CG 3.73Å; L242-I305 HydrophobicContact CD1-CB 4.25Å; L242-I305 HydrophobicContact CD1-CG2 4Å; L242-E306 HydrophobicContact CB-CG 4.01Å; L242-E306 HydrophobicContact CD1-CG 4.02Å
243N88.3Confident82.6Confident67 Ų6751.9 Ų51.936%0.35826%0.257SS..Hα-helixtrans-64.8-40173.6-74.1-31.7000112.5V239 L241 R245 Q246 V247 E306V239-N243 WeakPolarHBondContact O-CB 3.44Å; V239-N243 PolarHBondContact O-N 2.88Å; V239-N243 PolarHBondContact O-ND2 3.28Å; L241-N243 VanDerWaalsContact C-N 3.29Å; L241-N243 PolarHBondContact O-N 2.94Å; N243-R245 PolarHBondContact O-N 3.44Å; N243-Q246 PolarHBondContact O-N 3.48Å; N243-V247 WeakPolarHBondContact O-CG2 3.33Å; N243-V247 PolarHBondContact O-N 2.88Å; N243-V247 VanDerWaalsContact O-N 3.1Å; N243-E306 PolarHBondContact OD1-O 3.49Å
244K89Confident80.7Confident92 Ų9256 Ų5640%0.428%0.276SS..Hα-helixtrans-59.4-44.5169.8-70.4163.5-170.3179.80111.8E213 L217 S240 L241 V247 Q248E213-K244 IonicContact OE1-NZ 3.99Å; E213-K244 PolarHBondContact OE1-NZ 3.35Å; L217-K244 HydrophobicContact CD1-CB 3.64Å; L217-K244 HydrophobicContact CD1-CD 4.16Å; L217-K244 HydrophobicContact CD2-CD 4.28Å; S240-K244 WeakPolarHBondContact O-CB 3.34Å; S240-K244 WeakPolarHBondContact O-CD 3.46Å; S240-K244 WeakPolarHBondContact O-CG 3.27Å; S240-K244 PolarHBondContact O-N 2.95Å; L241-K244 WeakPolarHBondContact O-CB 3.27Å; L241-K244 PolarHBondContact O-N 3.41Å; L241-K244 VanDerWaalsContact O-N 3.13Å; K244-V247 PolarHBondContact O-N 2.87Å; K244-Q248 WeakPolarHBondContact O-CG 3.36Å; K244-Q248 PolarHBondContact O-N 2.98Å
245R88.9Confident78.8Confident7 Ų754.6 Ų54.63%0.02628%0.28CS..Hα-helixtrans-62.3-43.2177.3-70-176.970.268.78111.9F216 L217 L219 Q220 L241 L242 N243 V247 Q248 R249 D286F216-R245 WeakPolarHBondContact O-CD 3.33Å; F216-R245 PolarHBondContact O-NH1 3.04Å; L217-R245 HydrophobicContact CD1-CG 4.43Å; L219-R245 VanDerWaalsContact O-CZ 3.32Å; L219-R245 PolarHBondContact O-NH1 3.27Å; L219-R245 PolarHBondContact O-NH2 3.37Å; Q220-R245 PolarHBondContact O-NH2 3.41Å; Q220-R245 VanDerWaalsContact O-NH2 3.11Å; L241-R245 HydrophobicContact CD2-CG 4.47Å; L241-R245 WeakPolarHBondContact O-CG 3.44Å; L241-R245 PolarHBondContact O-N 3.27Å; L242-R245 PolarHBondContact O-N 2.91Å; N243-R245 PolarHBondContact O-N 3.44Å; R245-V247 VanDerWaalsContact C-N 3.34Å; R245-V247 PolarHBondContact O-N 3.46Å; R245-Q248 PolarHBondContact O-N 3.29Å; R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 3.38Å; R245-D286 IonicContact CZ-OD2 2.9Å; R245-D286 IonicContact NE-OD2 3.48Å; R245-D286 PolarHBondContact NE-OD2 3.27Å; R245-D286 IonicContact NH2-OD2 2.67Å; R245-D286 PolarHBondContact NH2-OD2 2.85Å
246Q81.5Confident76.5Confident43 Ų4362.2 Ų62.220%0.20132%0.317CS..Hα-helixtrans-61.2-40.1176.7-71.5-72.210.900112.1L242 N243 R249 R250 E306L242-Q246 WeakPolarHBondContact O-CG 3.44Å; L242-Q246 PolarHBondContact O-N 3.35Å; N243-Q246 PolarHBondContact O-N 3.48Å; Q246-R249 PolarHBondContact O-N 3.27Å; Q246-R249 VanDerWaalsContact OE1-NH1 3.13Å; Q246-R250 WeakPolarHBondContact O-CG 3.14Å; Q246-R250 PolarHBondContact O-N 2.88Å; Q246-E306 VanDerWaalsContact NE2-CD 3.33Å; Q246-E306 PolarHBondContact NE2-OE1 3.41Å; Q246-E306 PolarHBondContact NE2-OE2 3.48Å
247V79.3Confident74.3Confident90 Ų9069.7 Ų69.755%0.54535%0.347SS..Hα-helixtrans-64.4-46.1173.11740000111.3N243 K244 R245 R249 R250 T251N243-V247 WeakPolarHBondContact O-CG2 3.33Å; N243-V247 PolarHBondContact O-N 2.88Å; N243-V247 VanDerWaalsContact O-N 3.1Å; K244-V247 PolarHBondContact O-N 2.87Å; R245-V247 VanDerWaalsContact C-N 3.34Å; R245-V247 PolarHBondContact O-N 3.46Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 2.9Å; V247-R250 PolarHBondContact O-N 3.02Å; V247-R250 VanDerWaalsContact O-N 3.13Å; V247-T251 PolarHBondContact O-N 3.26Å; V247-T251 PolarHBondContact O-OG1 3.41Å
248Q78.5Confident71.9Confident62 Ų6273.9 Ų73.929%0.2938%0.379SS..Hα-helixtrans-59.3-36.2177.7-73.4174.9-9.100113.4L217 K244 R245 T251 R252L217-Q248 PolarHBondContact O-OE1 3Å; K244-Q248 WeakPolarHBondContact O-CG 3.36Å; K244-Q248 PolarHBondContact O-N 2.98Å; R245-Q248 PolarHBondContact O-N 3.29Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.33Å; Q248-T251 PolarHBondContact O-OG1 3.23Å; Q248-R252 WeakPolarHBondContact O-CG 3.24Å; Q248-R252 PolarHBondContact O-N 2.93Å
249R71.5Confident69.1Low55 Ų5576 Ų7621%0.20840%0.401CS..Hα-helixtrans-63.8-46.4174.4-67.9167.6-157.7162.30.9111.1R245 Q246 V247 T251 R252 G253 D286R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 3.38Å; Q246-R249 PolarHBondContact O-N 3.27Å; Q246-R249 VanDerWaalsContact OE1-NH1 3.13Å; V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 2.9Å; R249-T251 PolarHBondContact O-N 2.99Å; R249-R252 PolarHBondContact O-N 2.86Å; R249-G253 PolarHBondContact O-N 3.14Å; R249-D286 IonicContact CZ-OD2 2.63Å; R249-D286 IonicContact NE-OD2 3.08Å; R249-D286 VanDerWaalsContact NH2-CG 3.35Å; R249-D286 IonicContact NH2-OD2 2.74Å; R249-D286 PolarHBondContact NH2-OD2 3.38Å
250R67.7Low66.4Low186 Ų18682.5 Ų82.570%0.70244%0.436SS*.Hα-helixtrans-61.4-43.3177.8-69.3176.9179.6-169.8-1.5112Q246 V247 G253 L254Q246-R250 WeakPolarHBondContact O-CG 3.14Å; Q246-R250 PolarHBondContact O-N 2.88Å; V247-R250 PolarHBondContact O-N 3.02Å; V247-R250 VanDerWaalsContact O-N 3.13Å; R250-G253 PolarHBondContact O-N 3.41Å; R250-L254 WeakPolarHBondContact O-CG 3.38Å; R250-L254 PolarHBondContact O-N 3.44Å
251T66.1Low64.2Low79 Ų7987.8 Ų87.849%0.48546%0.459SS..Hα-helixtrans-66.9-36.2176.952.40000112.8V247 Q248 R249 L254 S255V247-T251 PolarHBondContact O-N 3.26Å; V247-T251 PolarHBondContact O-OG1 3.41Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.33Å; Q248-T251 PolarHBondContact O-OG1 3.23Å; R249-T251 PolarHBondContact O-N 2.99Å; T251-L254 PolarHBondContact O-N 2.97Å; T251-S255 PolarHBondContact O-N 3.23Å; T251-S255 PolarHBondContact O-OG 2.75Å
252R59.4Low61.6Low132 Ų13295.3 Ų95.350%0.49850%0.499SS..Hα-helixtrans-65.4-41174.3-76.4178.3-176.1163.45.4112.4Q248 R249 S255 M256Q248-R252 WeakPolarHBondContact O-CG 3.24Å; Q248-R252 PolarHBondContact O-N 2.93Å; R249-R252 PolarHBondContact O-N 2.86Å; R252-S255 WeakPolarHBondContact CA-OG 3.33Å; R252-S255 PolarHBondContact O-N 3.35Å; R252-S255 PolarHBondContact O-OG 3.08Å; R252-M256 PolarHBondContact O-N 2.93Å
253G54.9Low59.1Low36 Ų36103.1 Ų103.137%0.37154%0.535SS..Hα-helixtrans-60.3-45.7173.300000112.1R249 R250 S255 M256 F257R249-G253 PolarHBondContact O-N 3.14Å; R250-G253 PolarHBondContact O-N 3.41Å; G253-S255 PolarHBondContact O-N 3.34Å; G253-M256 PolarHBondContact O-N 3.12Å; G253-F257 WeakPolarHBondContact O-CD2 3.45Å
254L46.6Very low56.7Low120 Ų120103.8 Ų103.863%0.62854%0.541SS*.Hα-helixtrans-66.6-34.2178-69.5168000113.2R250 T251 M256 F257 S258R250-L254 WeakPolarHBondContact O-CG 3.38Å; R250-L254 PolarHBondContact O-N 3.44Å; T251-L254 PolarHBondContact O-N 2.97Å; L254-M256 PolarHBondContact O-N 2.79Å; L254-F257 PolarHBondContact O-N 2.85Å; L254-S258 PolarHBondContact O-N 2.69Å
255S48Very low54.3Low77 Ų77108.5 Ų108.554%0.53857%0.565SS.*Hα-helixtrans-65.3-22.9175.753.20000114.1T251 R252 G253 F257T251-S255 PolarHBondContact O-N 3.23Å; T251-S255 PolarHBondContact O-OG 2.75Å; R252-S255 WeakPolarHBondContact CA-OG 3.33Å; R252-S255 PolarHBondContact O-N 3.35Å; R252-S255 PolarHBondContact O-OG 3.08Å; G253-S255 PolarHBondContact O-N 3.34Å; S255-F257 VanDerWaalsContact C-N 3.27Å; S255-F257 PolarHBondContact O-N 3.23Å
256M42.6Very low52Low159 Ų159114 Ų11478%0.78360%0.599SS**THydrogen-bonded Turntrans-74.8-12.8172.5-81.9-170.366.800114.1R252 G253 L254R252-M256 PolarHBondContact O-N 2.93Å; G253-M256 PolarHBondContact O-N 3.12Å; L254-M256 PolarHBondContact O-N 2.79Å
257F44.7Very low50Low181 Ų181118.2 Ų118.279%0.79462%0.623SS**THydrogen-bonded Turntrans-11410.9179.8-65.4-71.2000113.1G253 L254 S255G253-F257 WeakPolarHBondContact O-CD2 3.45Å; L254-F257 PolarHBondContact O-N 2.85Å; S255-F257 VanDerWaalsContact C-N 3.27Å; S255-F257 PolarHBondContact O-N 3.23Å
258S43.4Very low47.9Very low107 Ų107120.5 Ų120.575%0.74863%0.632SS**SBendtrans-134.516.6-174.8-171.50000113.3L254L254-S258 PolarHBondContact O-N 2.69Å
259G35.2Very low46Very low44 Ų44125.2 Ų125.245%0.45466%0.658SS.*SBendtrans-120.9148.516900000110.4
260D36.2Very low44.5Very low142 Ų142131.5 Ų131.576%0.75969%0.69SS**  trans58.760.2162.3-47.5-17.8000116.9
261I41.7Very low42.9Very low156 Ų156132.6 Ų132.680%0.869%0.694SS**SBendtrans-84.6-21.9161.2-76.3172.7000112
262D39.1Very low41.4Very low159 Ų159134 Ų13485%0.8571%0.707SS**SBendtrans-101.50.4-163.7-64.5-46.1000116.8
263E39.4Very low40.2Very low172 Ų172135.9 Ų135.980%0.80473%0.726SS**SBendtrans-141.324.2-169.9-145.4174.8-156.300117.3
264V37.8Very low39.1Very low80 Ų80137.1 Ų137.149%0.48573%0.73SS.*  trans-112.1-8.6-169.4-168.30000115.6T266V264-T266 VanDerWaalsContact C-N 3.34Å; V264-T266 PolarHBondContact O-N 3.24Å
265E37.2Very low38.3Very low192 Ų192139.1 Ų139.190%0.89774%0.74SS**THydrogen-bonded Turntrans-72.4-14.1-167.1-156.8171.1-158.600115.8
266T41.6Very low37.4Very low122 Ų122142.4 Ų142.475%0.74875%0.749SS**THydrogen-bonded Turntrans-105-12.4-169.853.20000116.5V264V264-T266 VanDerWaalsContact C-N 3.34Å; V264-T266 PolarHBondContact O-N 3.24Å
267N38.2Very low36.9Very low131 Ų131142.6 Ų142.670%0.70175%0.748SS**SBendtrans-107.61.8-170.2-75.9-57.2000115.5L269N267-L269 VanDerWaalsContact C-N 3.34Å; N267-L269 PolarHBondContact O-N 2.83Å
268L37.1Very low36.1Very low139 Ų139141 Ų14173%0.72874%0.744SS**THydrogen-bonded Turntrans-79.1-3.7-169.3-71.9167.2000115.8
269L37.5Very low35.5Very low160 Ų160140.2 Ų140.284%0.83873%0.732SS**THydrogen-bonded Turntrans-101.25.1-173-79.2168000116.1N267N267-L269 VanDerWaalsContact C-N 3.34Å; N267-L269 PolarHBondContact O-N 2.83Å
270H40.7Very low35.5Very low188 Ų188146.5 Ų146.587%0.8775%0.749SS**SBendtrans-132.217.1-174.9-94.815.3000116.1
271R34.2Very low35.3Very low209 Ų209147.6 Ų147.679%0.78975%0.75SS**  trans-123.923.8178.6-143.3174.3179.9-173.6-2.9116.2N273R271-N273 PolarHBondContact O-N 3.39Å
272S33.5Very low35Very low108 Ų108146.3 Ų146.376%0.75574%0.744SS**THydrogen-bonded Turntrans-74.367.3172.457.90000112.6
273N33.9Very low35.2Very low171 Ų171141.1 Ų141.191%0.91472%0.718SS**THydrogen-bonded Turntrans-16615166.8-102.8-19.1000115.1R271R271-N273 PolarHBondContact O-N 3.39Å
274S33.2Very low35.3Very low63 Ų63135.1 Ų135.144%0.44170%0.695SS.*  trans-108.715-172.9-154.40000114.7M276S274-M276 VanDerWaalsContact C-N 3.34Å; S274-M276 PolarHBondContact O-N 3.38Å; S274-M276 VanDerWaalsContact O-N 3.16Å
275L28.4Very low35.9Very low161 Ų161138.3 Ų138.384%0.84371%0.708SS**THydrogen-bonded Turntrans-89.847.5-168.5-99.6166.8000114.1M278L275-M278 HydrophobicContact CD2-CE 4.42Å
276M30.2Very low36.6Very low146 Ų146129.7 Ų129.772%0.71967%0.668SS**THydrogen-bonded Turntrans-146.97.1175-139.4168.2-176.600115.6S274S274-M276 VanDerWaalsContact C-N 3.34Å; S274-M276 PolarHBondContact O-N 3.38Å; S274-M276 VanDerWaalsContact O-N 3.16Å
277E31.7Very low36.9Very low164 Ų164126.7 Ų126.777%0.76666%0.662SS**  trans-10324.3-170-150.7165.6-139.500113.9
278M28.9Very low37.5Very low147 Ų147127.2 Ų127.272%0.72467%0.665SS**  trans-92.94.9-166.4-138.7-178.3-60.900115.5L275L275-M278 HydrophobicContact CD2-CE 4.42Å
279N29.8Very low38.9Very low91 Ų91122.6 Ų122.649%0.48764%0.64SS.*  trans-107.318.7-164.7-84.5-24.1000116.1S705N279-S705 PolarHBondContact ND2-OG 2.72Å
280Q34.4Very low40.8Very low175 Ų175120.9 Ų120.982%0.81863%0.632SS**SBendtrans-112.3-1.6-177.3-66-167.77.200116.5
281H33.9Very low43Very low166 Ų166117 Ų11777%0.76961%0.612SS**  trans-128.516.1-175.8-86.711.1000115.4T283H281-T283 PolarHBondContact O-N 2.9Å
282N35.3Very low45.8Very low128 Ų128107.4 Ų107.468%0.68458%0.577SS**  trans-79.448.6-177.9-66.1-21.2000114.2
283T42.2Very low48.7Very low50 Ų50106.1 Ų106.131%0.30756%0.561SS.*SBendtrans-74128.9150.146.60000107.8N197 H281 L285N197-T283 PolarHBondContact ND2-OG1 2.82Å; H281-T283 PolarHBondContact O-N 2.9Å; T283-L285 PolarHBondContact O-N 3.49Å
284P41.2Very low51.7Low47 Ų4798.1 Ų98.131%0.30552%0.518SS..PPolyproline II helixtrans-53.9128.6177.1-24.633.4000110.4D286 D288 L289P284-D286 PolarHBondContact O-N 3.37Å; P284-D288 HydrophobicContact CB-CB 4.33Å; P284-L289 HydrophobicContact CB-CD2 4.49Å
285L50.6Low54.6Low146 Ų14699.9 Ų99.976%0.76452%0.519SS*.PPolyproline II helixtrans-60.6137.1161-86.973.3000106.6T283 G287 D288T283-L285 PolarHBondContact O-N 3.49Å; L285-G287 PolarHBondContact O-N 2.87Å; L285-D288 PolarHBondContact O-N 2.87Å; L285-D288 VanDerWaalsContact O-N 3.11Å
286D52.9Low57.5Low11 Ų1195.2 Ų95.26%0.05950%0.495CS..THydrogen-bonded Turntrans-55.52.9-172.2-59.2-18.6000116.7S221 L222 R245 R249 P284 L289S221-D286 WeakPolarHBondContact CA-OD1 3.46Å; S221-D286 WeakPolarHBondContact CB-OD1 3.33Å; S221-D286 PolarHBondContact OG-OD1 3.43Å; L222-D286 PolarHBondContact N-OD1 3.23Å; R245-D286 IonicContact CZ-OD2 2.9Å; R245-D286 IonicContact NE-OD2 3.48Å; R245-D286 PolarHBondContact NE-OD2 3.27Å; R245-D286 IonicContact NH2-OD2 2.67Å; R245-D286 PolarHBondContact NH2-OD2 2.85Å; R249-D286 IonicContact CZ-OD2 2.63Å; R249-D286 IonicContact NE-OD2 3.08Å; R249-D286 VanDerWaalsContact NH2-CG 3.35Å; R249-D286 IonicContact NH2-OD2 2.74Å; R249-D286 PolarHBondContact NH2-OD2 3.38Å; P284-D286 PolarHBondContact O-N 3.37Å; D286-L289 HydrophobicContact CB-CD1 4.22Å
287G46.4Very low60.3Low60 Ų6088.8 Ų88.862%0.61947%0.465SS*.THydrogen-bonded Turntrans-72-30.1168.800000113.7L285L285-G287 PolarHBondContact O-N 2.87Å
288D51.8Low62.9Low142 Ų14291.3 Ų91.376%0.75947%0.467SS*.SBendtrans-89-8.9179.5-73-5.7000113.1P284 L285P284-D288 HydrophobicContact CB-CB 4.33Å; L285-D288 PolarHBondContact O-N 2.87Å; L285-D288 VanDerWaalsContact O-N 3.11Å
289L65.5Low65.7Low41 Ų4188.6 Ų88.622%0.21545%0.449CS..SBendtrans-74.5144176.2-64.5178.4000110.5P284 D286P284-L289 HydrophobicContact CB-CD2 4.49Å; D286-L289 HydrophobicContact CB-CD1 4.22Å
290L77.9Confident68.6Low125 Ų12584.3 Ų84.365%0.65443%0.426SS*.PPolyproline II helixtrans-58.8160.6167.1-72.8168.6000109.8E225E225-L290 HydrophobicContact CB-CB 4.34Å; E225-L290 HydrophobicContact CG-CB 3.85Å; E225-L290 WeakPolarHBondContact CG-O 3.16Å
291K87.5Confident71.4Confident107 Ų10780.5 Ų80.547%0.46541%0.41SS..PPolyproline II helixtrans-90.6140.7-178.3-60-168.8175.7-143.50111.1L293 E306K291-L293 HydrophobicContact CB-CD2 4.49Å; K291-L293 WeakPolarHBondContact O-CD2 3.31Å; K291-L293 WeakPolarHBondContact O-CG 3.46Å; K291-L293 PolarHBondContact O-N 2.71Å; K291-E306 VanDerWaalsContact CD-OE2 3.3Å; K291-E306 WeakPolarHBondContact CD-OE2 3.3Å; K291-E306 VanDerWaalsContact CE-OE2 3.27Å; K291-E306 WeakPolarHBondContact CE-OE2 3.35Å; K291-E306 IonicContact NZ-OE2 3.11Å; K291-E306 PolarHBondContact NZ-OE2 3.35Å
292P93.3Very high74.1Confident7 Ų774.7 Ų74.75%0.04540%0.395CS..PPolyproline II helixtrans-65.7129.3171.327.6-33.4000109.7L224 F229 L242 S304 I305L224-P292 HydrophobicContact CB-CB 4.06Å; L224-P292 HydrophobicContact CB-CG 4.44Å; F229-P292 HydrophobicContact CD2-CB 4.34Å; F229-P292 HydrophobicContact CE2-CB 3.92Å; L242-P292 HydrophobicContact CD1-CG 3.73Å; P292-S304 WeakPolarHBondContact O-CA 3.34Å; P292-I305 HydrophobicContact CB-CD1 4.22Å; P292-I305 HydrophobicContact CG-CB 4.45Å; P292-I305 PolarHBondContact O-N 2.76Å
293L94.8Very high76.9Confident80 Ų8073.8 Ų73.842%0.41938%0.382SS..BIsolated β-bridgetrans-111.1151.1-175.7-51.7-175.7000110.8K291 R303K291-L293 HydrophobicContact CB-CD2 4.49Å; K291-L293 WeakPolarHBondContact O-CD2 3.31Å; K291-L293 WeakPolarHBondContact O-CG 3.46Å; K291-L293 PolarHBondContact O-N 2.71Å; L293-R303 WeakPolarHBondContact CA-O 3.41Å
294C95.1Very high79.2Confident3 Ų372.1 Ų72.12%0.0237%0.373CS..EExtended strand (participates in β ladder)trans-74.2134.4168.8-59.60000110.9C231 L300 I301 G302 R303 L308C231-C294 HydrophobicContact CB-CB 3.82Å; C231-C294 WeakPolarHBondContact CB-SG 3.43Å; C231-C294 VanDerWaalsContact SG-CA 3.56Å; C231-C294 WeakPolarHBondContact SG-CB 3.38Å; C231-C294 CovalentContact SG-SG 2.03Å; C231-C294 PolarHBondContact SG-SG 2.8Å; C294-L300 HydrophobicContact CB-CB 4Å; C294-L300 WeakPolarHBondContact CB-O 3.34Å; C294-I301 WeakPolarHBondContact O-CA 3.22Å; C294-G302 PolarHBondContact O-N 3.26Å; C294-R303 PolarHBondContact N-O 3.18Å; C294-L308 VanDerWaalsContact SG-CD1 3.53Å
295H94.2Very high81.7Confident100 Ų10069.9 Ų69.946%0.46336%0.358SS..EExtended strand (participates in β ladder)trans-106.5-23.3171.7-18069.8000112.4P228 F229 I301P228-H295 HydrophobicContact CB-CB 4.17Å; F229-H295 PolarHBondContact O-N 2.74Å; H295-I301 WeakPolarHBondContact O-CG1 3.41Å
296N89.5Confident83.5Confident64 Ų6464 Ų6434%0.34233%0.327SS..EExtended strand (participates in β ladder)trans-138.5162.1164.6-79.6-71.8000109.3F229 N230 C231F229-N296 PolarHBondContact O-N 3.13Å; N230-N296 HydrophobicContact CB-CB 4.34Å; N230-N296 WeakPolarHBondContact OD1-CB 3.22Å; C231-N296 WeakPolarHBondContact CB-O 3.32Å; C231-N296 PolarHBondContact N-O 2.63Å
297P88.9Confident85.2Confident11 Ų1166.6 Ų66.67%0.07135%0.346CS..SBendcis-72.5171-10.732.2-37.6000113.3C231 R299 L300 I301 E369C231-P297 WeakPolarHBondContact O-CD 3.21Å; P297-R299 PolarHBondContact O-N 3.4Å; P297-L300 HydrophobicContact CG-CD1 4.25Å; P297-L300 HydrophobicContact CG-CG 4.3Å; P297-L300 PolarHBondContact O-N 3.2Å; P297-I301 PolarHBondContact O-N 3.09Å; P297-E369 HydrophobicContact CB-CG 3.45Å; P297-E369 VanDerWaalsContact CB-CG 3.45Å; P297-E369 HydrophobicContact CG-CG 4.04Å; P297-E369 WeakPolarHBondContact CG-OE1 3.47Å
298R87.5Confident87.3Confident216 Ų21664.1 Ų64.182%0.81532%0.318SS*.G310 helixtrans-48.8-37.7-177.2-74.9-170.9177.6-169.10.1114.7L300 I301R298-L300 PolarHBondContact O-N 2.98Å; R298-I301 HydrophobicContact CB-CD1 4.48Å; R298-I301 HydrophobicContact CG-CD1 4.31Å
299R88.1Confident89Confident91 Ų9160.6 Ų60.634%0.34330%0.302SS..G310 helixtrans-64.2-22.5178.2177.1178.35484.84.1114.2P297 D312 E369P297-R299 PolarHBondContact O-N 3.4Å; R299-D312 PolarHBondContact NH1-O 3.22Å; R299-D312 PolarHBondContact NH2-O 3.42Å; R299-E369 IonicContact CZ-OE1 3.09Å; R299-E369 IonicContact NE-OE1 2.81Å; R299-E369 PolarHBondContact NE-OE1 3.32Å; R299-E369 IonicContact NH2-OE1 3.74Å; R299-E369 PolarHBondContact NH2-OE1 3.3Å; R299-E369 IonicContact NH2-OE2 2.79Å
300L90.8Very high89.8Confident1 Ų162.6 Ų62.61%0.00532%0.315CS..G310 helixtrans-112.3-0.8-175.2-62.6-177.8000113.6C231 C294 P297 R298 G302 R303 L308 D312C231-L300 HydrophobicContact CB-CD1 3.9Å; C294-L300 HydrophobicContact CB-CB 4Å; C294-L300 WeakPolarHBondContact CB-O 3.34Å; P297-L300 HydrophobicContact CG-CD1 4.25Å; P297-L300 HydrophobicContact CG-CG 4.3Å; P297-L300 PolarHBondContact O-N 3.2Å; R298-L300 PolarHBondContact O-N 2.98Å; L300-G302 PolarHBondContact O-N 2.68Å; L300-R303 WeakPolarHBondContact O-CB 3.31Å; L300-R303 WeakPolarHBondContact O-CG 3.4Å; L300-R303 PolarHBondContact O-N 3.09Å; L300-L308 HydrophobicContact CD1-CD1 4Å; L300-L308 HydrophobicContact CD2-CD2 3.95Å; L300-D312 HydrophobicContact CD1-CB 4.45Å; L300-D312 HydrophobicContact CD2-CB 4.41Å
301I91.8Very high89.9Confident94 Ų9460.9 Ų60.948%0.48231%0.314SS..THydrogen-bonded Turntrans-52.7128.4-176.1-65.8-177.2000111.5C294 H295 P297 R298 R303C294-I301 WeakPolarHBondContact O-CA 3.22Å; H295-I301 WeakPolarHBondContact O-CG1 3.41Å; P297-I301 PolarHBondContact O-N 3.09Å; R298-I301 HydrophobicContact CB-CD1 4.48Å; R298-I301 HydrophobicContact CG-CD1 4.31Å; I301-R303 PolarHBondContact O-N 3.01Å
302G91.6Very high89.8Confident44 Ų4457.1 Ų57.145%0.45430%0.299SS..THydrogen-bonded Turntrans77.7-7.7178.800000115.2C294 L300C294-G302 PolarHBondContact O-N 3.26Å; L300-G302 PolarHBondContact O-N 2.68Å
303R92.8Very high89.2Confident109 Ų10957 Ų5741%0.41130%0.298SS..  trans-72.2139.2172.2-56.9-17182.2-158.23.4109.7L293 C294 L300 I301 L308 D312L293-R303 WeakPolarHBondContact CA-O 3.41Å; C294-R303 PolarHBondContact N-O 3.18Å; L300-R303 WeakPolarHBondContact O-CB 3.31Å; L300-R303 WeakPolarHBondContact O-CG 3.4Å; L300-R303 PolarHBondContact O-N 3.09Å; I301-R303 PolarHBondContact O-N 3.01Å; R303-L308 HydrophobicContact CB-CD2 4.19Å; R303-D312 IonicContact NH1-OD1 2.67Å; R303-D312 PolarHBondContact NH1-OD1 2.81Å; R303-D312 VanDerWaalsContact NH1-OD1 3.08Å
304S92.2Very high88.4Confident16 Ų1658.3 Ų58.311%0.11230%0.298CS..BIsolated β-bridgetrans-69.7135174.2170.10000110.5P292 E306 S307P292-S304 WeakPolarHBondContact O-CA 3.34Å; S304-E306 PolarHBondContact O-N 3.49Å; S304-E306 PolarHBondContact OG-N 3.11Å; S304-S307 WeakPolarHBondContact O-CB 3.44Å; S304-S307 PolarHBondContact O-N 2.92Å; S304-S307 PolarHBondContact O-OG 3.42Å
305I92.8Very high87.5Confident0 Ų060.7 Ų60.70%031%0.314CS..G310 helixtrans-58.6-33.8176.9-62.7-176.6000110.8F229 L235 L238 V239 L242 P292 S307 L308F229-I305 HydrophobicContact CB-CD1 4.08Å; F229-I305 HydrophobicContact CD2-CD1 3.61Å; F229-I305 HydrophobicContact CE2-CD1 4.24Å; F229-I305 HydrophobicContact CG-CD1 3.97Å; L235-I305 HydrophobicContact CD2-CD1 4Å; L238-I305 HydrophobicContact CB-CG2 4.48Å; L238-I305 HydrophobicContact CD2-CD1 4.08Å; L238-I305 HydrophobicContact CD2-CG2 4.28Å; L238-I305 HydrophobicContact CG-CG2 4.19Å; V239-I305 HydrophobicContact CG2-CG2 3.76Å; V239-I305 WeakPolarHBondContact CG2-O 3.43Å; L242-I305 HydrophobicContact CD1-CB 4.25Å; L242-I305 HydrophobicContact CD1-CG2 4Å; P292-I305 HydrophobicContact CB-CD1 4.22Å; P292-I305 HydrophobicContact CG-CB 4.45Å; P292-I305 PolarHBondContact O-N 2.76Å; I305-S307 PolarHBondContact O-N 2.89Å; I305-L308 PolarHBondContact O-N 3.1Å
306E88Confident86.4Confident22 Ų2258.2 Ų58.210%0.10332%0.316CS..G310 helixtrans-62.8-27.3175.1-52-167.6135.900113.6L242 N243 Q246 K291 S304L242-E306 HydrophobicContact CB-CG 4.01Å; L242-E306 HydrophobicContact CD1-CG 4.02Å; N243-E306 PolarHBondContact OD1-O 3.49Å; Q246-E306 VanDerWaalsContact NE2-CD 3.33Å; Q246-E306 PolarHBondContact NE2-OE1 3.41Å; Q246-E306 PolarHBondContact NE2-OE2 3.48Å; K291-E306 VanDerWaalsContact CD-OE2 3.3Å; K291-E306 WeakPolarHBondContact CD-OE2 3.3Å; K291-E306 VanDerWaalsContact CE-OE2 3.27Å; K291-E306 WeakPolarHBondContact CE-OE2 3.35Å; K291-E306 IonicContact NZ-OE2 3.11Å; K291-E306 PolarHBondContact NZ-OE2 3.35Å; S304-E306 PolarHBondContact O-N 3.49Å; S304-E306 PolarHBondContact OG-N 3.11Å
307S88.8Confident85.6Confident66 Ų6658.8 Ų58.846%0.46232%0.322SS..G310 helixtrans-89.10.9-175.568.90000114.3S304 I305S304-S307 WeakPolarHBondContact O-CB 3.44Å; S304-S307 PolarHBondContact O-N 2.92Å; S304-S307 PolarHBondContact O-OG 3.42Å; I305-S307 PolarHBondContact O-N 2.89Å
308L90.6Very high85Confident7 Ų758.5 Ų58.54%0.03732%0.32CS..  trans-92.6162.9-179.6-60.6-174.9000112.3C231 V239 C294 L300 R303 I305 D312 F313C231-L308 HydrophobicContact CB-CD1 4.37Å; V239-L308 WeakPolarHBondContact CG1-O 3.38Å; V239-L308 HydrophobicContact CG2-CB 4.31Å; C294-L308 VanDerWaalsContact SG-CD1 3.53Å; L300-L308 HydrophobicContact CD1-CD1 4Å; L300-L308 HydrophobicContact CD2-CD2 3.95Å; R303-L308 HydrophobicContact CB-CD2 4.19Å; I305-L308 PolarHBondContact O-N 3.1Å; L308-D312 HydrophobicContact CB-CB 4.32Å; L308-D312 HydrophobicContact CD2-CB 4.24Å; L308-F313 HydrophobicContact CB-CE2 3.83Å; L308-F313 HydrophobicContact CB-CZ 4.02Å; L308-F313 HydrophobicContact CD1-CE1 4.16Å; L308-F313 HydrophobicContact CD1-CE2 4.06Å; L308-F313 HydrophobicContact CD1-CZ 3.54Å; L308-F313 HydrophobicContact CG-CZ 4.44Å
309T87.3Confident84.6Confident68 Ų6855.1 Ų55.142%0.41731%0.311SS..  trans-112.5159.5171.365.70000109.9S311 D312 F313T309-S311 WeakPolarHBondContact CB-OG 3.35Å; T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 VanDerWaalsContact O-N 3.13Å; T309-S311 PolarHBondContact OG1-OG 3.07Å; T309-D312 WeakPolarHBondContact CB-OD2 3.37Å; T309-D312 PolarHBondContact N-OD2 2.94Å; T309-D312 WeakPolarHBondContact O-CB 3.19Å; T309-D312 PolarHBondContact O-N 2.81Å; T309-D312 PolarHBondContact OG1-N 2.8Å; T309-D312 PolarHBondContact OG1-OD2 3.15Å; T309-F313 WeakPolarHBondContact O-CD2 3.47Å; T309-F313 VanDerWaalsContact O-CE2 3.25Å; T309-F313 WeakPolarHBondContact O-CE2 3.38Å
310V82.4Confident84Confident83 Ų8352.2 Ų52.250%0.50330%0.302SS..G310 helixtrans-57.5-30.1175.7-1780000111.6D312 F313V310-D312 VanDerWaalsContact C-N 3.33Å; V310-D312 PolarHBondContact O-N 3.34Å; V310-F313 PolarHBondContact O-N 2.84Å
311S80.2Confident83.2Confident90 Ų9054.9 Ų54.963%0.62931%0.314SS*.G310 helixtrans-62.1-28.1172.419.40000114.9T309 F313T309-S311 WeakPolarHBondContact CB-OG 3.35Å; T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 VanDerWaalsContact O-N 3.13Å; T309-S311 PolarHBondContact OG1-OG 3.07Å; S311-F313 PolarHBondContact O-N 3.09Å
312D85Confident82.5Confident28 Ų2851 Ų5115%0.1530%0.295CS..G310 helixtrans-66.7-21.4179.3-74-89000113.1R299 L300 R303 L308 T309 V310R299-D312 PolarHBondContact NH1-O 3.22Å; R299-D312 PolarHBondContact NH2-O 3.42Å; L300-D312 HydrophobicContact CD1-CB 4.45Å; L300-D312 HydrophobicContact CD2-CB 4.41Å; R303-D312 IonicContact NH1-OD1 2.67Å; R303-D312 PolarHBondContact NH1-OD1 2.81Å; R303-D312 VanDerWaalsContact NH1-OD1 3.08Å; L308-D312 HydrophobicContact CB-CB 4.32Å; L308-D312 HydrophobicContact CD2-CB 4.24Å; T309-D312 WeakPolarHBondContact CB-OD2 3.37Å; T309-D312 PolarHBondContact N-OD2 2.94Å; T309-D312 WeakPolarHBondContact O-CB 3.19Å; T309-D312 PolarHBondContact O-N 2.81Å; T309-D312 PolarHBondContact OG1-N 2.8Å; T309-D312 PolarHBondContact OG1-OD2 3.15Å; V310-D312 VanDerWaalsContact C-N 3.33Å; V310-D312 PolarHBondContact O-N 3.34Å
313F81.7Confident81.8Confident5 Ų549.1 Ų49.12%0.02227%0.274CS..G310 helixtrans-92.6-6.8-171.7-61.9-91.3000114.9C231 D232 V239 L308 T309 V310 S311 C315C231-F313 VanDerWaalsContact C-CD1 3.48Å; C231-F313 HydrophobicContact CB-CD1 4.2Å; C231-F313 HydrophobicContact CB-CE1 3.64Å; C231-F313 WeakPolarHBondContact O-CD1 3.23Å; D232-F313 WeakPolarHBondContact O-CD1 3.33Å; V239-F313 HydrophobicContact CG2-CE2 3.53Å; V239-F313 HydrophobicContact CG2-CZ 3.34Å; L308-F313 HydrophobicContact CB-CE2 3.83Å; L308-F313 HydrophobicContact CB-CZ 4.02Å; L308-F313 HydrophobicContact CD1-CE1 4.16Å; L308-F313 HydrophobicContact CD1-CE2 4.06Å; L308-F313 HydrophobicContact CD1-CZ 3.54Å; L308-F313 HydrophobicContact CG-CZ 4.44Å; T309-F313 WeakPolarHBondContact O-CD2 3.47Å; T309-F313 VanDerWaalsContact O-CE2 3.25Å; T309-F313 WeakPolarHBondContact O-CE2 3.38Å; V310-F313 PolarHBondContact O-N 2.84Å; S311-F313 PolarHBondContact O-N 3.09Å; F313-C315 PolarHBondContact O-N 2.93Å
314Y76.6Confident81.2Confident107 Ų10744 Ų4442%0.4226%0.255SS..  trans46.555.8177.9-74-96.1000114.5G316 S367 P368Y314-G316 PolarHBondContact O-N 3.03Å; Y314-S367 VanDerWaalsContact CB-CB 3.42Å; Y314-P368 HydrophobicContact CD2-CG 4.39Å; Y314-P368 HydrophobicContact CE1-CG 4.46Å; Y314-P368 HydrophobicContact CE2-CG 4Å
315C76.8Confident80.6Confident53 Ų5343.4 Ų43.436%0.35825%0.251SS..  trans-63.6-0.4-179.7-77.40000117.1C233 F313C233-C315 VanDerWaalsContact CA-SG 3.58Å; C233-C315 HydrophobicContact CB-CB 3.92Å; C233-C315 WeakPolarHBondContact CB-SG 3.14Å; C233-C315 VanDerWaalsContact SG-CA 3.53Å; C233-C315 WeakPolarHBondContact SG-CB 3.27Å; C233-C315 CovalentContact SG-SG 2.03Å; C233-C315 PolarHBondContact SG-SG 3.5Å; F313-C315 PolarHBondContact O-N 2.93Å
316G71.5Confident79.9Confident48 Ų4845.7 Ų45.750%0.49526%0.263SS..SBendtrans-82.5136.9-178.100000112.2Y314Y314-G316 PolarHBondContact O-N 3.03Å
317T72.2Confident79.1Confident76 Ų7645.2 Ų45.247%0.46626%0.261SS..PPolyproline II helixtrans-59.4146.117159.50000110.7K319 N464T317-K319 PolarHBondContact O-N 3.09Å; T317-N464 HydrophobicContact CG2-CB 4.04Å
318P76.9Confident77.9Confident5 Ų543.5 Ų43.53%0.03225%0.254CS..PPolyproline II helixtrans-58.2135174.7-2232000111.4V364 L370 D460 S466P318-V364 HydrophobicContact CB-CG1 3.66Å; P318-L370 HydrophobicContact CB-CD1 3.66Å; P318-L370 HydrophobicContact CG-CD1 3.44Å; P318-L370 VanDerWaalsContact CG-CD1 3.44Å; P318-D460 HydrophobicContact CG-CB 4.09Å; P318-S466 WeakPolarHBondContact O-CA 3.3Å
319K77.6Confident76.7Confident145 Ų14547.4 Ų47.463%0.6327%0.272SS*.EExtended strand (participates in β ladder)trans-120131.5178.5-61-167.9179-170.50110.3T317 Q321 V364 K365T317-K319 PolarHBondContact O-N 3.09Å; K319-Q321 PolarHBondContact O-N 2.96Å; K319-V364 CarbonylContact O-C 3.59Å; K319-V364 WeakPolarHBondContact O-CA 3.41Å; K319-V364 WeakPolarHBondContact O-CG1 3.26Å; K319-K365 PolarHBondContact N-O 3.08Å; K319-K365 PolarHBondContact O-N 3.36Å
320L76.6Confident75.5Confident29 Ų2944.2 Ų44.215%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-56.5134.2167.2-179.460.4000108.7I323 H363 V364 I469 Q535L320-I323 HydrophobicContact CD1-CG1 4Å; L320-I323 HydrophobicContact CD2-CD1 3.99Å; L320-I323 HydrophobicContact CD2-CG1 4.19Å; L320-H363 WeakPolarHBondContact CD1-O 3.29Å; L320-V364 HydrophobicContact CD1-CG2 4.31Å; L320-I469 HydrophobicContact CB-CD1 4.28Å; L320-I469 HydrophobicContact CD1-CD1 3.6Å; L320-I469 HydrophobicContact CD2-CD1 3.73Å; L320-I469 HydrophobicContact CD2-CG1 4.06Å; L320-I469 HydrophobicContact CG-CD1 4.07Å; L320-Q535 HydrophobicContact CD2-CB 4.18Å; L320-Q535 HydrophobicContact CD2-CG 4.34Å
321Q74.6Confident74.4Confident57 Ų5741.6 Ų41.627%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-107.2-49.6178179.4168.1-18.700111.1K319 H363 K365K319-Q321 PolarHBondContact O-N 2.96Å; Q321-H363 WeakPolarHBondContact CB-O 3.47Å; Q321-H363 PolarHBondContact N-O 3.4Å; Q321-K365 HydrophobicContact CB-CB 4.41Å
322I76Confident73.5Confident13 Ų1340.7 Ų40.77%0.06723%0.227CC..EExtended strand (participates in β ladder)trans-160.8156.1177.2-164.7160.5000111.3H363 Y524 I526 T532 L534I322-H363 HydrophobicContact CG2-CB 3.81Å; I322-H363 PolarHBondContact N-O 2.91Å; I322-H363 PolarHBondContact O-N 3.04Å; I322-Y524 HydrophobicContact CG2-CD1 4.31Å; I322-Y524 HydrophobicContact CG2-CE1 4.06Å; I322-I526 HydrophobicContact CD1-CG1 4.34Å; I322-T532 HydrophobicContact CD1-CG2 3.64Å; I322-T532 HydrophobicContact CG1-CG2 4.32Å; I322-L534 HydrophobicContact CG1-CD2 4.49Å
323I77.9Confident72.4Confident5 Ų541.9 Ų41.93%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-118.6129.1166.3-56.9173.2000107.7L320 V325 V360 R361 I469 T532 V533 F543L320-I323 HydrophobicContact CD1-CG1 4Å; L320-I323 HydrophobicContact CD2-CD1 3.99Å; L320-I323 HydrophobicContact CD2-CG1 4.19Å; I323-V325 HydrophobicContact CG2-CG2 4.49Å; I323-V360 HydrophobicContact CG2-CG1 4.2Å; I323-R361 CarbonylContact C-O 3.55Å; I323-R361 VanDerWaalsContact CA-O 3.27Å; I323-R361 WeakPolarHBondContact CA-O 3.49Å; I323-R361 WeakPolarHBondContact CG2-O 3.3Å; I323-I469 HydrophobicContact CD1-CG2 3.5Å; I323-T532 WeakPolarHBondContact O-CA 3.4Å; I323-V533 PolarHBondContact N-O 3.33Å; I323-V533 PolarHBondContact O-N 2.92Å; I323-F543 HydrophobicContact CD1-CE1 3.62Å; I323-F543 HydrophobicContact CD1-CE2 4.31Å; I323-F543 HydrophobicContact CD1-CZ 3.38Å; I323-F543 HydrophobicContact CG2-CZ 4.32Å
324E79.4Confident71.2Confident0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-112.1143.9173.9-49-177133.500110.1V360 R361 T527 W530 Y531E324-V360 CarbonylContact O-C 3.5Å; E324-V360 WeakPolarHBondContact O-CA 3.42Å; E324-R361 HydrophobicContact CB-CB 4.17Å; E324-R361 PolarHBondContact N-O 3.42Å; E324-R361 PolarHBondContact O-N 3.41Å; E324-R361 WeakPolarHBondContact OE2-CD 3.23Å; E324-R361 IonicContact OE2-CZ 3.86Å; E324-R361 IonicContact OE2-NE 2.9Å; E324-R361 IonicContact OE2-NH1 3.36Å; E324-R361 PolarHBondContact OE2-NH1 3.05Å; E324-T527 VanDerWaalsContact CD-OG1 3.26Å; E324-T527 WeakPolarHBondContact OE1-CB 3.47Å; E324-T527 PolarHBondContact OE1-N 3.03Å; E324-T527 PolarHBondContact OE1-OG1 3.05Å; E324-T527 PolarHBondContact OE2-OG1 3.21Å; E324-W530 HydrophobicContact CB-CB 4.26Å; E324-W530 HydrophobicContact CB-CD2 4.35Å; E324-W530 HydrophobicContact CB-CE3 3.63Å; E324-W530 HydrophobicContact CB-CZ3 4.41Å; E324-Y531 CarbonylContact C-O 3.48Å; E324-Y531 WeakPolarHBondContact CA-O 3.32Å
325V78.7Confident70.3Confident5 Ų541 Ų413%0.0323%0.23CC..EExtended strand (participates in β ladder)trans-134.2123.3177.7-1750000110.8I323 L327 I358 T359 V360 F471 Y531I323-V325 HydrophobicContact CG2-CG2 4.49Å; V325-L327 HydrophobicContact CG1-CD2 3.89Å; V325-L327 HydrophobicContact CG1-CG 4.34Å; V325-I358 HydrophobicContact CG1-CG2 3.7Å; V325-T359 CarbonylContact C-O 3.52Å; V325-T359 WeakPolarHBondContact CA-O 3.41Å; V325-V360 HydrophobicContact CG1-CG2 4.45Å; V325-V360 HydrophobicContact CG2-CG1 4.34Å; V325-V360 HydrophobicContact CG2-CG2 4.47Å; V325-F471 HydrophobicContact CG2-CE2 4.21Å; V325-Y531 PolarHBondContact N-O 3.39Å; V325-Y531 PolarHBondContact O-N 3.35Å
326D80Confident69.3Low47 Ų4743.1 Ų43.125%0.25124%0.238SC..EExtended strand (participates in β ladder)trans-95.6122.6173.1179.412.1000110.8G328 I358 T359 W530D326-G328 PolarHBondContact OD1-N 2.95Å; D326-I358 WeakPolarHBondContact O-CA 3.47Å; D326-I358 WeakPolarHBondContact O-CG2 3.43Å; D326-T359 PolarHBondContact N-O 2.75Å; D326-T359 PolarHBondContact O-N 3.09Å; D326-W530 HydrophobicContact CB-CD2 3.78Å; D326-W530 HydrophobicContact CB-CE3 3.76Å; D326-W530 HydrophobicContact CB-CH2 3.76Å; D326-W530 HydrophobicContact CB-CZ2 3.75Å; D326-W530 HydrophobicContact CB-CZ3 3.74Å
327L70.4Confident68.5Low12 Ų1245.3 Ų45.36%0.06324%0.235CC..  trans-111.517.2176.9-58-176.9000112.6V325 Q329 L330 T331 I358 L479 I482 Y531V325-L327 HydrophobicContact CG1-CD2 3.89Å; V325-L327 HydrophobicContact CG1-CG 4.34Å; L327-Q329 VanDerWaalsContact C-N 3.33Å; L327-Q329 PolarHBondContact O-N 2.83Å; L327-Q329 VanDerWaalsContact O-N 3.16Å; L327-L330 HydrophobicContact CB-CB 4.42Å; L327-L330 WeakPolarHBondContact O-CA 3.31Å; L327-L330 VanDerWaalsContact O-CB 3.29Å; L327-L330 WeakPolarHBondContact O-CB 3.48Å; L327-L330 PolarHBondContact O-N 3.21Å; L327-T331 PolarHBondContact O-N 3.02Å; L327-I358 HydrophobicContact CD2-CD1 3.61Å; L327-I358 HydrophobicContact CD2-CG1 3.86Å; L327-I358 HydrophobicContact CD2-CG2 4.06Å; L327-L479 HydrophobicContact CD2-CD2 4.49Å; L327-I482 HydrophobicContact CD1-CG2 4.09Å; L327-Y531 HydrophobicContact CB-CD2 4.44Å; L327-Y531 HydrophobicContact CB-CE2 4.15Å; L327-Y531 HydrophobicContact CD1-CD2 3.86Å; L327-Y531 HydrophobicContact CD1-CE2 3.69Å; L327-Y531 HydrophobicContact CG-CD2 3.97Å; L327-Y531 HydrophobicContact CG-CE2 4.04Å
328G64Low67.5Low30 Ų3045.6 Ų45.631%0.30923%0.234SC..Hα-helixtrans-58.3-31.5-166.100000116.7D326 T331 T332D326-G328 PolarHBondContact OD1-N 2.95Å; G328-T331 PolarHBondContact O-OG1 2.66Å; G328-T332 WeakPolarHBondContact O-CG2 3.35Å; G328-T332 PolarHBondContact O-N 2.96Å; G328-T332 PolarHBondContact O-OG1 3.37Å
329Q64.5Low66.2Low89 Ų8950.4 Ų50.442%0.41626%0.259SS..Hα-helixtrans-73.8-28.8171.9-73.4-168.6-13.700112.9L327 T332 F333 S355 I357L327-Q329 VanDerWaalsContact C-N 3.33Å; L327-Q329 PolarHBondContact O-N 2.83Å; L327-Q329 VanDerWaalsContact O-N 3.16Å; Q329-T332 WeakPolarHBondContact CA-OG1 3.4Å; Q329-T332 PolarHBondContact O-OG1 3.38Å; Q329-T332 VanDerWaalsContact O-OG1 3.11Å; Q329-F333 WeakPolarHBondContact O-CB 3.43Å; Q329-F333 PolarHBondContact O-N 3.4Å; Q329-S355 PolarHBondContact OE1-O 3.09Å; Q329-I357 VanDerWaalsContact OE1-CB 3.25Å
330L62Low64.4Low2 Ų251 Ų511%0.0127%0.269CS..Hα-helixtrans-78.3-41.8-178.6-170.6116.7000111.8L327 T332 F333 Y334 L356 L479L327-L330 HydrophobicContact CB-CB 4.42Å; L327-L330 WeakPolarHBondContact O-CA 3.31Å; L327-L330 VanDerWaalsContact O-CB 3.29Å; L327-L330 WeakPolarHBondContact O-CB 3.48Å; L327-L330 PolarHBondContact O-N 3.21Å; L330-T332 VanDerWaalsContact C-N 3.35Å; L330-F333 PolarHBondContact O-N 2.82Å; L330-Y334 HydrophobicContact CD1-CE2 4.05Å; L330-Y334 HydrophobicContact CD2-CD2 3.92Å; L330-Y334 HydrophobicContact CD2-CE2 3.87Å; L330-Y334 HydrophobicContact CG-CD2 3.85Å; L330-Y334 HydrophobicContact CG-CE2 3.76Å; L330-Y334 WeakPolarHBondContact O-CD2 3.26Å; L330-Y334 PolarHBondContact O-N 3.18Å; L330-L356 HydrophobicContact CB-CD2 4.17Å; L330-L356 HydrophobicContact CD1-CD1 3.66Å; L330-L356 HydrophobicContact CD1-CD2 3.88Å; L330-L356 HydrophobicContact CD1-CG 4.36Å; L330-L356 HydrophobicContact CG-CD2 4.42Å; L330-L479 HydrophobicContact CD1-CB 3.84Å; L330-L479 HydrophobicContact CD1-CD1 3.73Å; L330-L479 HydrophobicContact CD1-CD2 3.87Å; L330-L479 HydrophobicContact CD1-CG 4.01Å; L330-L479 HydrophobicContact CD2-CB 4.06Å; L330-L479 HydrophobicContact CD2-CD2 3.96Å
331T59.1Low62.6Low28 Ų2857.8 Ų57.817%0.17230%0.297CS..Hα-helixtrans-62.9-43.3176.354.30000111.1L327 G328 Q335L327-T331 PolarHBondContact O-N 3.02Å; G328-T331 PolarHBondContact O-OG1 2.66Å; T331-Q335 WeakPolarHBondContact O-CB 3.46Å; T331-Q335 VanDerWaalsContact O-CG 3.25Å; T331-Q335 WeakPolarHBondContact O-CG 3.39Å; T331-Q335 PolarHBondContact O-N 3Å
332T61.2Low60.6Low70 Ų7064.2 Ų64.243%0.42932%0.324SS..Hα-helixtrans-67.9-36.3174.949.30000112.7G328 Q329 L330 N336G328-T332 WeakPolarHBondContact O-CG2 3.35Å; G328-T332 PolarHBondContact O-N 2.96Å; G328-T332 PolarHBondContact O-OG1 3.37Å; Q329-T332 WeakPolarHBondContact CA-OG1 3.4Å; Q329-T332 PolarHBondContact O-OG1 3.38Å; Q329-T332 VanDerWaalsContact O-OG1 3.11Å; L330-T332 VanDerWaalsContact C-N 3.35Å; T332-N336 PolarHBondContact O-N 3.34Å; T332-N336 PolarHBondContact O-ND2 2.93Å
333F62Low58.6Low54 Ų5470.5 Ų70.524%0.23736%0.357CS..Hα-helixtrans-59.5-53.1173.3178.1-98.7000112.5Q329 L330 N336 Q337 I431 L433Q329-F333 WeakPolarHBondContact O-CB 3.43Å; Q329-F333 PolarHBondContact O-N 3.4Å; L330-F333 PolarHBondContact O-N 2.82Å; F333-N336 PolarHBondContact O-N 3.2Å; F333-Q337 HydrophobicContact CE1-CG 4.22Å; F333-Q337 HydrophobicContact CZ-CG 4.37Å; F333-Q337 PolarHBondContact O-N 3.04Å; F333-I431 HydrophobicContact CE1-CD1 4.44Å; F333-I431 HydrophobicContact CZ-CD1 4.33Å; F333-L433 HydrophobicContact CE2-CD1 3.52Å; F333-L433 HydrophobicContact CZ-CD1 3.59Å; F333-L433 HydrophobicContact CZ-CD2 3.81Å; F333-L433 HydrophobicContact CZ-CG 4.35Å
334Y56.5Low56.5Low23 Ų2376.1 Ų76.19%0.0939%0.392CS..Hα-helixtrans-72.5-29.9-179.1-76.4-69.5000113.8L330 N336 Q337 N338 I476 R480 S483L330-Y334 HydrophobicContact CD1-CE2 4.05Å; L330-Y334 HydrophobicContact CD2-CD2 3.92Å; L330-Y334 HydrophobicContact CD2-CE2 3.87Å; L330-Y334 HydrophobicContact CG-CD2 3.85Å; L330-Y334 HydrophobicContact CG-CE2 3.76Å; L330-Y334 WeakPolarHBondContact O-CD2 3.26Å; L330-Y334 PolarHBondContact O-N 3.18Å; Y334-N336 PolarHBondContact O-N 3.13Å; Y334-Q337 WeakPolarHBondContact O-CB 3.39Å; Y334-Q337 PolarHBondContact O-N 3.04Å; Y334-N338 PolarHBondContact O-N 3.38Å; Y334-I476 PolarHBondContact OH-O 2.69Å; Y334-R480 HydrophobicContact CE1-CB 4.35Å; Y334-R480 HydrophobicContact CE1-CG 4.23Å; Y334-S483 WeakPolarHBondContact CB-OG 3.47Å
335Q57.2Low54.1Low70 Ų7081.6 Ų81.633%0.32743%0.431SS..Hα-helixtrans-61.4-32.4171.6-80.9177.2-12.400112.4T331 N339T331-Q335 WeakPolarHBondContact O-CB 3.46Å; T331-Q335 VanDerWaalsContact O-CG 3.25Å; T331-Q335 WeakPolarHBondContact O-CG 3.39Å; T331-Q335 PolarHBondContact O-N 3Å; Q335-N339 PolarHBondContact O-ND2 2.87Å
336N56.5Low51.7Low97 Ų9783.9 Ų83.952%0.51946%0.455SS..Hα-helixtrans-74-37.9174.6-72.1-41.4000112.4T332 F333 Y334T332-N336 PolarHBondContact O-N 3.34Å; T332-N336 PolarHBondContact O-ND2 2.93Å; F333-N336 PolarHBondContact O-N 3.2Å; Y334-N336 PolarHBondContact O-N 3.13Å
337Q55.8Low49.4Very low94 Ų9491.3 Ų91.344%0.43949%0.485SS..Hα-helixtrans-58.4-58.4174.2-76.1-88.7-10.900112F333 Y334 N339 N340F333-Q337 HydrophobicContact CE1-CG 4.22Å; F333-Q337 HydrophobicContact CZ-CG 4.37Å; F333-Q337 PolarHBondContact O-N 3.04Å; Y334-Q337 WeakPolarHBondContact O-CB 3.39Å; Y334-Q337 PolarHBondContact O-N 3.04Å; Q337-N339 PolarHBondContact O-N 3.31Å; Q337-N340 PolarHBondContact O-N 3.38Å
338N51.4Low47.4Very low83 Ų8399.4 Ų99.444%0.44452%0.52SS..Hα-helixtrans-67.1-12-172.1-80.9-11.1000114.5Y334 D484Y334-N338 PolarHBondContact O-N 3.38Å; N338-D484 PolarHBondContact ND2-OD1 2.03Å
339N48.1Very low45.7Very low105 Ų105105.6 Ų105.656%0.56154%0.541SS*.THydrogen-bonded Turntrans-84.1-5.1-179.4-94.2-74.5000114.7Q335 Q337 K341Q335-N339 PolarHBondContact O-ND2 2.87Å; Q337-N339 PolarHBondContact O-N 3.31Å; N339-K341 PolarHBondContact O-N 3.11Å
340N41.4Very low43.9Very low158 Ų158110 Ų11085%0.84556%0.562SS**  trans52.712.5-175.5-86.8-29.7000115.5Q337 K342Q337-N340 PolarHBondContact O-N 3.38Å; N340-K342 VanDerWaalsContact C-N 3.33Å; N340-K342 PolarHBondContact O-N 2.8Å
341K37.2Very low42.7Very low171 Ų171119 Ų11974%0.74360%0.604SS**  trans-78.386174.4-77.7-174.5177.5176.50109.2N339 L343N339-K341 PolarHBondContact O-N 3.11Å; K341-L343 PolarHBondContact O-N 3.41Å
342K33.3Very low41.6Very low192 Ų192126 Ų12684%0.83564%0.64SS**  trans-32.1112.9163.8-171.7178-171176.80109.6N340 T344N340-K342 VanDerWaalsContact C-N 3.33Å; N340-K342 PolarHBondContact O-N 2.8Å; K342-T344 PolarHBondContact O-N 2.76Å
343L34.1Very low41Very low145 Ų145126.5 Ų126.576%0.75964%0.64SS**  trans-52.8101.2-161.5-170.573.2000111.9K341 S345K341-L343 PolarHBondContact O-N 3.41Å; L343-S345 PolarHBondContact O-N 2.85Å
344T33.2Very low40.8Very low123 Ų123128.3 Ų128.376%0.75565%0.652SS**  trans-77.293.9-177.250.40000109.9K342 G346K342-T344 PolarHBondContact O-N 2.76Å; T344-G346 PolarHBondContact O-N 3.18Å
345S29.9Very low41.2Very low116 Ų116128.8 Ų128.881%0.81166%0.659SS**SBendtrans-9.1112.2154.1-177.40000113.6L343L343-S345 PolarHBondContact O-N 2.85Å
346G28.7Very low41.6Very low52 Ų52126.2 Ų126.254%0.53665%0.647SS.*SBendtrans127.855.5178.400000116.3T344T344-G346 PolarHBondContact O-N 3.18Å
347K29.9Very low42.3Very low204 Ų204124.4 Ų124.489%0.88764%0.637SS**SBendtrans-179.2-16.5144.9-103.2160.5-172.6179.40115.9E349K347-E349 PolarHBondContact O-N 2.9Å
348F30.4Very low43.2Very low182 Ų182120 Ų12080%0.79862%0.616SS**  trans-90.371.9166.7-77.3-83.2000110.3
349E26.6Very low44.7Very low159 Ų159116.3 Ų116.374%0.74360%0.597SS**  trans-121.245.6174.7-70.2-168.4138.600111.7K347K347-E349 PolarHBondContact O-N 2.9Å
350Q28.4Very low46.3Very low183 Ų183111.3 Ų111.386%0.85557%0.57SS**SBendtrans-159.5150.5158.9-107.3152.928.900108.9
351E34.8Very low48.5Very low190 Ų190105.6 Ų105.689%0.88854%0.537SS*.  trans6288.9-173.3-57.1-164.2153.500115.5D353E351-D353 PolarHBondContact O-N 2.77Å
352N36.1Very low50.9Low174 Ų17497.5 Ų97.593%0.9350%0.501SS*.  trans-80.847.4178.5-170.429.7000112.5
353D49.9Very low53.3Low81 Ų8188.5 Ų88.543%0.43346%0.462SS..  trans-130107.3-173.6-149-8.2000112.3E351 S355 K430E351-D353 PolarHBondContact O-N 2.77Å; D353-S355 PolarHBondContact O-N 2.75Å; D353-K430 WeakPolarHBondContact OD1-CD 3.39Å; D353-K430 WeakPolarHBondContact OD1-CE 3.44Å; D353-K430 IonicContact OD1-NZ 2.65Å; D353-K430 PolarHBondContact OD1-NZ 3.48Å; D353-K430 WeakPolarHBondContact OD2-CE 3.37Å; D353-K430 IonicContact OD2-NZ 3.13Å; D353-K430 PolarHBondContact OD2-NZ 3.34Å
354N58.4Low55.5Low93 Ų9381.9 Ų81.950%0.49743%0.428SS..  trans-73.252.4-178.7-73.7-16000112.3K430 I431N354-K430 CarbonylContact O-C 3.54Å; N354-K430 WeakPolarHBondContact O-CA 3.39Å; N354-I431 WeakPolarHBondContact CB-O 3.4Å; N354-I431 PolarHBondContact O-N 3.44Å
355S63.1Low57.6Low32 Ų3282 Ų8222%0.22442%0.418CS..EExtended strand (participates in β ladder)trans-100.6125.1-179.978.80000112.4Q329 D353 R429Q329-S355 PolarHBondContact OE1-O 3.09Å; D353-S355 PolarHBondContact O-N 2.75Å; S355-R429 CarbonylContact C-O 3.51Å; S355-R429 WeakPolarHBondContact CA-O 3.31Å
356L66.2Low59.8Low16 Ų1677.8 Ų77.88%0.08439%0.392CS..EExtended strand (participates in β ladder)trans-75.7122.1163.7-74.3169.7000109.2L330 S428 R429 I431L330-L356 HydrophobicContact CB-CD2 4.17Å; L330-L356 HydrophobicContact CD1-CD1 3.66Å; L330-L356 HydrophobicContact CD1-CD2 3.88Å; L330-L356 HydrophobicContact CD1-CG 4.36Å; L330-L356 HydrophobicContact CG-CD2 4.42Å; L356-S428 CarbonylContact O-C 3.6Å; L356-S428 VanDerWaalsContact O-CA 3.29Å; L356-S428 WeakPolarHBondContact O-CA 3.35Å; L356-R429 PolarHBondContact N-O 3.28Å; L356-R429 PolarHBondContact O-N 2.97Å; L356-I431 HydrophobicContact CD1-CD1 3.63Å; L356-I431 HydrophobicContact CD1-CG1 3.98Å; L356-I431 HydrophobicContact CD2-CD1 4.45Å; L356-I431 HydrophobicContact CG-CD1 3.76Å; L356-I431 HydrophobicContact CG-CG1 4.09Å
357I71.8Confident62.1Low59 Ų5975.7 Ų75.730%0.30337%0.37SS..EExtended strand (participates in β ladder)trans-100.8125.2169-51.8179.5000109.2Q329 L427Q329-I357 VanDerWaalsContact OE1-CB 3.25Å; I357-L427 WeakPolarHBondContact CA-O 3.3Å
358I75.1Confident64.4Low2 Ų269.8 Ų69.81%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-111.7140.8166.2-64.7-179.8000107.3V325 D326 L327 V360 L427 W473 P474 L479V325-I358 HydrophobicContact CG1-CG2 3.7Å; D326-I358 WeakPolarHBondContact O-CA 3.47Å; D326-I358 WeakPolarHBondContact O-CG2 3.43Å; L327-I358 HydrophobicContact CD2-CD1 3.61Å; L327-I358 HydrophobicContact CD2-CG1 3.86Å; L327-I358 HydrophobicContact CD2-CG2 4.06Å; I358-V360 HydrophobicContact CG2-CG2 4.08Å; I358-L427 PolarHBondContact N-O 2.92Å; I358-L427 PolarHBondContact O-N 3.3Å; I358-W473 HydrophobicContact CB-CH2 3.64Å; I358-W473 HydrophobicContact CB-CZ3 3.8Å; I358-W473 HydrophobicContact CD1-CH2 3.57Å; I358-W473 HydrophobicContact CD1-CZ2 3.86Å; I358-W473 HydrophobicContact CD1-CZ3 3.96Å; I358-W473 HydrophobicContact CG1-CH2 3.68Å; I358-W473 HydrophobicContact CG1-CZ2 4.31Å; I358-W473 HydrophobicContact CG1-CZ3 4.22Å; I358-W473 HydrophobicContact CG2-CZ3 4.34Å; I358-P474 HydrophobicContact CD1-CG 4.43Å; I358-L479 HydrophobicContact CD1-CD2 4.32Å
359T82Confident66.6Low6 Ų663.2 Ų63.24%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-111.6127.3171.1-48.90000109.5V325 D326 E424 L425 K426 W530V325-T359 CarbonylContact C-O 3.52Å; V325-T359 WeakPolarHBondContact CA-O 3.41Å; D326-T359 PolarHBondContact N-O 2.75Å; D326-T359 PolarHBondContact O-N 3.09Å; T359-E424 HydrophobicContact CG2-CG 3.37Å; T359-L425 WeakPolarHBondContact CA-O 3.27Å; T359-K426 HydrophobicContact CG2-CG 3.79Å; T359-W530 HydrophobicContact CG2-CH2 3.59Å; T359-W530 HydrophobicContact CG2-CZ3 4.04Å
360V82.8Confident69Low0 Ų057.1 Ų57.10%030%0.296CS..EExtended strand (participates in β ladder)trans-114.1138.6177.6-174.60000109I323 E324 V325 I358 W374 E424 L425 L427 F471I323-V360 HydrophobicContact CG2-CG1 4.2Å; E324-V360 CarbonylContact O-C 3.5Å; E324-V360 WeakPolarHBondContact O-CA 3.42Å; V325-V360 HydrophobicContact CG1-CG2 4.45Å; V325-V360 HydrophobicContact CG2-CG1 4.34Å; V325-V360 HydrophobicContact CG2-CG2 4.47Å; I358-V360 HydrophobicContact CG2-CG2 4.08Å; V360-W374 HydrophobicContact CB-CZ2 4.33Å; V360-W374 HydrophobicContact CG1-CH2 3.7Å; V360-W374 HydrophobicContact CG1-CZ2 3.73Å; V360-E424 CarbonylContact O-C 3.56Å; V360-E424 WeakPolarHBondContact O-CA 3.24Å; V360-L425 PolarHBondContact N-O 3.23Å; V360-L425 PolarHBondContact O-N 3.27Å; V360-L427 HydrophobicContact CG2-CD1 4.04Å; V360-F471 HydrophobicContact CG1-CD2 4.4Å; V360-F471 HydrophobicContact CG1-CE2 4.4Å; V360-F471 HydrophobicContact CG2-CE1 4.12Å; V360-F471 HydrophobicContact CG2-CE2 4.13Å; V360-F471 HydrophobicContact CG2-CZ 3.79Å
361R86.9Confident71.5Confident38 Ų3855.2 Ų55.214%0.14329%0.287CS..EExtended strand (participates in β ladder)trans-125.1138.8174.6-66.3171.1172.9164.34.4110.9I323 E324 L418 I423 E424 T527 W530I323-R361 CarbonylContact C-O 3.55Å; I323-R361 VanDerWaalsContact CA-O 3.27Å; I323-R361 WeakPolarHBondContact CA-O 3.49Å; I323-R361 WeakPolarHBondContact CG2-O 3.3Å; E324-R361 HydrophobicContact CB-CB 4.17Å; E324-R361 PolarHBondContact N-O 3.42Å; E324-R361 PolarHBondContact O-N 3.41Å; E324-R361 WeakPolarHBondContact OE2-CD 3.23Å; E324-R361 IonicContact OE2-CZ 3.86Å; E324-R361 IonicContact OE2-NE 2.9Å; E324-R361 IonicContact OE2-NH1 3.36Å; E324-R361 PolarHBondContact OE2-NH1 3.05Å; R361-L418 HydrophobicContact CB-CD1 4.42Å; R361-L418 HydrophobicContact CG-CD1 3.91Å; R361-I423 WeakPolarHBondContact CA-O 2.98Å; R361-E424 HydrophobicContact CG-CB 4.02Å; R361-E424 HydrophobicContact CG-CG 4.03Å; R361-E424 IonicContact CZ-OE2 2.89Å; R361-E424 IonicContact NE-OE2 3.77Å; R361-E424 PolarHBondContact NE-OE2 3.02Å; R361-E424 IonicContact NH2-OE2 2.72Å; R361-E424 PolarHBondContact NH2-OE2 3.36Å; R361-T527 PolarHBondContact NH1-OG1 2.87Å; R361-W530 HydrophobicContact CG-CH2 4.19Å; R361-W530 HydrophobicContact CG-CZ3 3.73Å; R361-W530 VanDerWaalsContact CZ-CZ2 3.43Å; R361-W530 VanDerWaalsContact NE-CH2 3.3Å
362C86.4Confident73.9Confident0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-121.5123.4174.6177.70000109.3M372 W374 G422 I423 C456C362-M372 VanDerWaalsContact O-CE 3.32Å; C362-M372 WeakPolarHBondContact O-CE 3.16Å; C362-W374 HydrophobicContact CB-CH2 4.26Å; C362-W374 HydrophobicContact CB-CZ2 3.68Å; C362-G422 CarbonylContact O-C 3.59Å; C362-G422 WeakPolarHBondContact O-CA 3.22Å; C362-I423 HydrophobicContact CB-CG2 4.23Å; C362-I423 PolarHBondContact N-O 2.99Å; C362-I423 PolarHBondContact O-N 2.92Å; C362-C456 HydrophobicContact CB-CB 3.63Å; C362-C456 WeakPolarHBondContact CB-SG 2.97Å; C362-C456 WeakPolarHBondContact SG-CB 3.24Å; C362-C456 CovalentContact SG-SG 2.03Å; C362-C456 PolarHBondContact SG-SG 2.84Å
363H84.5Confident76.2Confident3 Ų339.6 Ų39.61%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-114.1123-179.4-69.3-102.2000110L320 Q321 I322 Y524L320-H363 WeakPolarHBondContact CD1-O 3.29Å; Q321-H363 WeakPolarHBondContact CB-O 3.47Å; Q321-H363 PolarHBondContact N-O 3.4Å; I322-H363 HydrophobicContact CG2-CB 3.81Å; I322-H363 PolarHBondContact N-O 2.91Å; I322-H363 PolarHBondContact O-N 3.04Å; H363-Y524 AromaticContact CE1-CZ 3.99Å; H363-Y524 PolarHBondContact CE1-OH 2.79Å; H363-Y524 AromaticContact ND1-CE2 3.85Å; H363-Y524 PolarHBondContact NE2-OH 3.33Å
364V79.6Confident78Confident7 Ų735.8 Ų35.84%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-124.4123.8-176.9177.30000109.3P318 K319 L320 L370 M372 G421 A458P318-V364 HydrophobicContact CB-CG1 3.66Å; K319-V364 CarbonylContact O-C 3.59Å; K319-V364 WeakPolarHBondContact O-CA 3.41Å; K319-V364 WeakPolarHBondContact O-CG1 3.26Å; L320-V364 HydrophobicContact CD1-CG2 4.31Å; V364-L370 HydrophobicContact CB-CD2 3.93Å; V364-L370 HydrophobicContact CG1-CD2 3.78Å; V364-L370 WeakPolarHBondContact O-CD2 3.3Å; V364-M372 HydrophobicContact CB-CE 3.62Å; V364-M372 HydrophobicContact CB-SD 4.09Å; V364-M372 HydrophobicContact CG2-CE 3.54Å; V364-G421 PolarHBondContact N-O 3.23Å; V364-A458 HydrophobicContact CB-CB 4.11Å; V364-A458 HydrophobicContact CG1-CB 3.88Å; V364-A458 HydrophobicContact CG2-CB 4.11Å
365K78.2Confident79.2Confident126 Ų12632.4 Ų32.455%0.54817%0.17SC..EExtended strand (participates in β ladder)trans-83.9114.6175.8-170.7170.4-176.71710109.3K319 Q321K319-K365 PolarHBondContact N-O 3.08Å; K319-K365 PolarHBondContact O-N 3.36Å; Q321-K365 HydrophobicContact CB-CB 4.41Å
366G76.3Confident80Confident26 Ų2636.4 Ų36.427%0.26818%0.18SC..  trans-148-153.2-179.600000111.9
367S76.6Confident80.5Confident8 Ų836.6 Ų36.66%0.05618%0.182CC..  trans-71.6159.5169.981.80000111.3Y314 E369 L370Y314-S367 VanDerWaalsContact CB-CB 3.42Å; S367-E369 WeakPolarHBondContact CB-OE2 3.28Å; S367-E369 PolarHBondContact O-N 3.29Å; S367-E369 PolarHBondContact OG-N 2.91Å; S367-E369 PolarHBondContact OG-OE2 3.42Å; S367-L370 VanDerWaalsContact O-CB 3.25Å; S367-L370 WeakPolarHBondContact O-CB 3.45Å; S367-L370 PolarHBondContact O-N 3.23Å; S367-L370 VanDerWaalsContact O-N 3.09Å
368P77.9Confident80.5Confident80 Ų8036.4 Ų36.452%0.51918%0.181SC..THydrogen-bonded Turntrans-59.2-13.1172.9-2636.3000114.7Y314Y314-P368 HydrophobicContact CD2-CG 4.39Å; Y314-P368 HydrophobicContact CE1-CG 4.46Å; Y314-P368 HydrophobicContact CE2-CG 4Å
369E76.4Confident79.9Confident45 Ų4542.4 Ų42.421%0.2121%0.213CC..THydrogen-bonded Turntrans-101.78.4-178.9-52.279.9-166.900113.5P297 R299 S367 Q371P297-E369 HydrophobicContact CB-CG 3.45Å; P297-E369 VanDerWaalsContact CB-CG 3.45Å; P297-E369 HydrophobicContact CG-CG 4.04Å; P297-E369 WeakPolarHBondContact CG-OE1 3.47Å; R299-E369 IonicContact CZ-OE1 3.09Å; R299-E369 IonicContact NE-OE1 2.81Å; R299-E369 PolarHBondContact NE-OE1 3.32Å; R299-E369 IonicContact NH2-OE1 3.74Å; R299-E369 PolarHBondContact NH2-OE1 3.3Å; R299-E369 IonicContact NH2-OE2 2.79Å; S367-E369 WeakPolarHBondContact CB-OE2 3.28Å; S367-E369 PolarHBondContact O-N 3.29Å; S367-E369 PolarHBondContact OG-N 2.91Å; S367-E369 PolarHBondContact OG-OE2 3.42Å; E369-Q371 PolarHBondContact O-N 2.82Å
370L78.7Confident78.5Confident30 Ų3049.3 Ų49.316%0.15725%0.245CC..  trans-56124.6178.9-173.377000111.7P318 V364 S367 M372 A458 T459P318-L370 HydrophobicContact CB-CD1 3.66Å; P318-L370 HydrophobicContact CG-CD1 3.44Å; P318-L370 VanDerWaalsContact CG-CD1 3.44Å; V364-L370 HydrophobicContact CB-CD2 3.93Å; V364-L370 HydrophobicContact CG1-CD2 3.78Å; V364-L370 WeakPolarHBondContact O-CD2 3.3Å; S367-L370 VanDerWaalsContact O-CB 3.25Å; S367-L370 WeakPolarHBondContact O-CB 3.45Å; S367-L370 PolarHBondContact O-N 3.23Å; S367-L370 VanDerWaalsContact O-N 3.09Å; L370-M372 HydrophobicContact CD2-CG 3.71Å; L370-M372 HydrophobicContact CD2-SD 3.83Å; L370-M372 HydrophobicContact CG-CG 3.97Å; L370-A458 HydrophobicContact CD1-CB 4.01Å; L370-A458 HydrophobicContact CD2-CB 4.07Å; L370-A458 HydrophobicContact CG-CB 4.11Å; L370-T459 WeakPolarHBondContact CD1-O 3.25Å
371Q80.9Confident76.6Confident143 Ų14356 Ų5667%0.66828%0.28SS*.EExtended strand (participates in β ladder)trans-89.3135167.4-60.7-175.214.800108.4E369 A458 T459E369-Q371 PolarHBondContact O-N 2.82Å; Q371-A458 CarbonylContact O-C 3.59Å; Q371-A458 WeakPolarHBondContact O-CA 3.38Å; Q371-T459 PolarHBondContact N-O 3.44Å; Q371-T459 PolarHBondContact O-N 3.17Å
372M83.2Confident74.3Confident25 Ų2560.9 Ų60.912%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-132.1137.2179.3-60-174.261.700109C362 V364 L370 I423 A458C362-M372 VanDerWaalsContact O-CE 3.32Å; C362-M372 WeakPolarHBondContact O-CE 3.16Å; V364-M372 HydrophobicContact CB-CE 3.62Å; V364-M372 HydrophobicContact CB-SD 4.09Å; V364-M372 HydrophobicContact CG2-CE 3.54Å; L370-M372 HydrophobicContact CD2-CG 3.71Å; L370-M372 HydrophobicContact CD2-SD 3.83Å; L370-M372 HydrophobicContact CG-CG 3.97Å; M372-I423 HydrophobicContact CB-CB 4.49Å; M372-I423 HydrophobicContact CB-CG2 4.25Å; M372-I423 HydrophobicContact CE-CG2 3.97Å; M372-A458 HydrophobicContact CB-CB 4.38Å; M372-A458 HydrophobicContact CG-CB 3.75Å
373D86.4Confident71.8Confident12 Ų1266.2 Ų66.26%0.06435%0.346CS..EExtended strand (participates in β ladder)trans-150.8167.6172-132.7-79.7000113.5Y375 R411 S415 F457D373-Y375 HydrophobicContact CB-CD2 4.34Å; D373-Y375 HydrophobicContact CB-CE2 3.55Å; D373-R411 HydrophobicContact CB-CG 4.46Å; D373-R411 WeakPolarHBondContact OD1-CG 3.36Å; D373-R411 IonicContact OD1-NE 2.87Å; D373-R411 PolarHBondContact OD1-NE 3.12Å; D373-R411 VanDerWaalsContact OD1-NE 3.09Å; D373-R411 IonicContact OD2-CZ 2.69Å; D373-R411 IonicContact OD2-NE 3.57Å; D373-R411 PolarHBondContact OD2-NE 3.32Å; D373-R411 IonicContact OD2-NH2 3.23Å; D373-R411 PolarHBondContact OD2-NH2 3.3Å; D373-S415 PolarHBondContact OD1-OG 2.94Å; D373-F457 PolarHBondContact N-O 2.75Å; D373-F457 PolarHBondContact O-N 3.13Å; D373-F457 VanDerWaalsContact O-N 3.09Å
374W85.9Confident69.6Low1 Ų170.1 Ų70.10%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-103.8134.9173-79.3101.1000109.7V360 C362 I412 I423 L425 L454 I455 C456 F471V360-W374 HydrophobicContact CB-CZ2 4.33Å; V360-W374 HydrophobicContact CG1-CH2 3.7Å; V360-W374 HydrophobicContact CG1-CZ2 3.73Å; C362-W374 HydrophobicContact CB-CH2 4.26Å; C362-W374 HydrophobicContact CB-CZ2 3.68Å; W374-I412 HydrophobicContact CB-CB 4.28Å; W374-I412 HydrophobicContact CB-CD1 4.3Å; W374-I412 PolarHBondContact O-N 3.5Å; W374-I423 PolarHBondContact NE1-O 2.94Å; W374-L425 HydrophobicContact CB-CD2 4Å; W374-L425 HydrophobicContact CD2-CB 4.26Å; W374-L425 HydrophobicContact CD2-CD2 3.91Å; W374-L425 HydrophobicContact CE3-CD2 4.29Å; W374-L425 HydrophobicContact CG-CB 4.03Å; W374-L425 HydrophobicContact CG-CD2 3.8Å; W374-L425 HydrophobicContact CG-CG 4.45Å; W374-L454 HydrophobicContact CE3-CB 4.06Å; W374-L454 HydrophobicContact CZ3-CB 4.03Å; W374-I455 WeakPolarHBondContact CA-O 3.29Å; W374-C456 HydrophobicContact CD2-CB 4.31Å; W374-C456 HydrophobicContact CE3-CB 4Å; W374-C456 HydrophobicContact CH2-CB 3.87Å; W374-C456 HydrophobicContact CZ2-CB 4.17Å; W374-C456 HydrophobicContact CZ3-CB 3.77Å; W374-F471 HydrophobicContact CZ3-CB 4.42Å
375Y84.6Confident67.6Low22 Ų2275.6 Ų75.69%0.08640%0.403CS..EExtended strand (participates in β ladder)trans-128.3155.1-176.4-64.4-92.6000111.8D373 L409 I410 R411 I455 F457D373-Y375 HydrophobicContact CB-CD2 4.34Å; D373-Y375 HydrophobicContact CB-CE2 3.55Å; Y375-L409 HydrophobicContact CD1-CB 3.8Å; Y375-L409 HydrophobicContact CG-CB 4.23Å; Y375-L409 HydrophobicContact CG-CD1 4.35Å; Y375-I410 CarbonylContact C-O 3.57Å; Y375-I410 WeakPolarHBondContact CA-O 3.17Å; Y375-R411 HydrophobicContact CD1-CB 4.24Å; Y375-R411 HydrophobicContact CE1-CB 4.01Å; Y375-R411 HydrophobicContact CE1-CG 4.41Å; Y375-I455 PolarHBondContact N-O 2.81Å; Y375-I455 PolarHBondContact O-N 3.5Å; Y375-F457 HydrophobicContact CD2-CB 3.77Å; Y375-F457 HydrophobicContact CD2-CD1 4.45Å; Y375-F457 HydrophobicContact CE2-CB 3.84Å; Y375-F457 AromaticContact CE2-CD1 3.86Å; Y375-F457 HydrophobicContact CE2-CD1 3.86Å; Y375-F457 HydrophobicContact CE2-CG 4.32Å
376R80Confident65.7Low116 Ų11678.6 Ų78.644%0.43841%0.411SS..EExtended strand (participates in β ladder)trans-120.6140.4166.551.4174.8-95.4141-5.5109.9I410 I412R376-I410 HydrophobicContact CG-CB 4Å; R376-I410 HydrophobicContact CG-CG2 4.41Å; R376-I410 WeakPolarHBondContact CG-O 3.22Å; R376-I410 PolarHBondContact N-O 2.9Å; R376-I410 PolarHBondContact O-N 3.08Å; R376-I412 HydrophobicContact CB-CD1 4.24Å; R376-I412 HydrophobicContact CB-CG1 4.36Å; R376-I412 HydrophobicContact CG-CD1 4.46Å; R376-I412 HydrophobicContact CG-CG1 4.07Å
377P76.9Confident63.9Low19 Ų1984.4 Ų84.412%0.12344%0.436CS..EExtended strand (participates in β ladder)trans-69.3146.5173.430.1-33.7000110.9N379 L409 K453P377-N379 PolarHBondContact O-N 3.28Å; P377-L409 HydrophobicContact CB-CD2 4.43Å; P377-K453 WeakPolarHBondContact CD-O 3.35Å; P377-K453 HydrophobicContact CG-CB 4.16Å
378I72.1Confident62.1Low56 Ų5692.1 Ų92.129%0.28747%0.471SS..  trans-80.9102.6165.6-57.6-174.1000108.6H380 Q408 I410I378-H380 PolarHBondContact O-N 3.45Å; I378-Q408 HydrophobicContact CB-CB 4.37Å; I378-Q408 HydrophobicContact CD1-CB 3.71Å; I378-Q408 HydrophobicContact CG1-CB 4.11Å; I378-Q408 PolarHBondContact N-O 3.26Å; I378-I410 HydrophobicContact CD1-CD1 3.75Å; I378-I410 HydrophobicContact CD1-CG1 3.73Å; I378-I410 HydrophobicContact CG1-CD1 3.67Å; I378-I410 HydrophobicContact CG1-CG1 3.7Å
379N61Low60.3Low127 Ų12792.9 Ų92.968%0.67947%0.47SS*.  trans-68.8122.3161-68.71.6000107.9P377 D381P377-N379 PolarHBondContact O-N 3.28Å; N379-D381 PolarHBondContact O-N 3.05Å
380H52.5Low58.4Low152 Ų15296.5 Ų96.570%0.70450%0.496SS*.  trans-73.9-13.1176.1-92.8-74.6000113.1I378 N382I378-H380 PolarHBondContact O-N 3.45Å; H380-N382 PolarHBondContact O-N 2.96Å; H380-N382 VanDerWaalsContact O-N 3.1Å
381D43.1Very low56.3Low139 Ų139102.8 Ų102.874%0.74353%0.53SS*.  trans-84.772.2-177.3-52.6-54.2000112.5N379N379-D381 PolarHBondContact O-N 3.05Å
382N38.4Very low54Low142 Ų142100.6 Ų100.676%0.75952%0.521SS*.  trans-178.3121.5141.3-97.1-41.9000111.1H380 S384H380-N382 PolarHBondContact O-N 2.96Å; H380-N382 VanDerWaalsContact O-N 3.1Å; N382-S384 VanDerWaalsContact C-N 3.32Å; N382-S384 PolarHBondContact O-N 3.29Å
383S34Very low51.7Low111 Ų111106.3 Ų106.378%0.77655%0.548SS*.THydrogen-bonded Turntrans-8714.7-171.356.30000115.3
384S39Very low49.1Very low86 Ų86110.7 Ų110.760%0.60158%0.579SS**THydrogen-bonded Turntrans-105.5-18.3-164.146.70000116.8N382N382-S384 VanDerWaalsContact C-N 3.32Å; N382-S384 PolarHBondContact O-N 3.29Å
385N37.8Very low46.7Very low122 Ų122116.9 Ų116.965%0.65260%0.604SS**  trans-118.936.6-172-80.5-8.8000114.2D387N385-D387 VanDerWaalsContact C-N 3.33Å; N385-D387 PolarHBondContact O-N 3.1Å
386R37.7Very low44.3Very low189 Ų189120.7 Ų120.771%0.71363%0.633SS**G310 helixtrans-69.1-27.6-178.5-76.4-173.2173.4179.4-0.4114Q388 L389R386-Q388 VanDerWaalsContact C-N 3.26Å; R386-Q388 PolarHBondContact O-N 3.13Å; R386-L389 PolarHBondContact O-N 3.14Å
387D38.2Very low42.3Very low148 Ų148120.5 Ų120.579%0.79164%0.636SS**G310 helixtrans-79.2-0.8-166.8-54.4-37.5000115N385N385-D387 VanDerWaalsContact C-N 3.33Å; N385-D387 PolarHBondContact O-N 3.1Å
388Q39.6Very low40.3Very low169 Ų169125.4 Ų125.479%0.7967%0.666SS**G310 helixtrans-108-0.6175.3-66.4-172.8-8.100114.2R386R386-Q388 VanDerWaalsContact C-N 3.26Å; R386-Q388 PolarHBondContact O-N 3.13Å
389L39.7Very low38.7Very low96 Ų96129.5 Ų129.550%0.50368%0.677SS.*  trans-95.62.6-174-84.5154.1000114.7R386 N391 I410R386-L389 PolarHBondContact O-N 3.14Å; L389-N391 VanDerWaalsContact C-N 3.32Å; L389-N391 PolarHBondContact O-N 2.95Å; L389-I410 HydrophobicContact CD2-CD1 4.12Å
390T36.8Very low37.2Very low122 Ų122129.5 Ų129.575%0.74868%0.682SS**THydrogen-bonded Turntrans-77.5-4.6-168.847.90000115.9
391N33.9Very low36.2Very low162 Ų162130 Ų13087%0.86669%0.685SS**THydrogen-bonded Turntrans-126.515.1-171.7-112.3-16.2000114.7L389L389-N391 VanDerWaalsContact C-N 3.32Å; L389-N391 PolarHBondContact O-N 2.95Å
392I34.2Very low35.6Very low96 Ų96131 Ų13149%0.49269%0.685SS.*SBendtrans-110.1130.5-177.7-58.2177.5000110S394 I410I392-S394 PolarHBondContact O-N 3.18Å; I392-I410 HydrophobicContact CG2-CG2 4.49Å
393Q34.5Very low35.3Very low146 Ų146129.5 Ų129.568%0.68267%0.673SS**  trans-66100.9175-72.4179.9-2800110.9Y395Q393-Y395 HydrophobicContact CB-CD2 4.14Å; Q393-Y395 HydrophobicContact CB-CE2 3.74Å; Q393-Y395 WeakPolarHBondContact O-CD2 3.16Å; Q393-Y395 PolarHBondContact O-N 2.99Å; Q393-Y395 VanDerWaalsContact O-N 3.09Å; Q393-Y395 PolarHBondContact OE1-OH 2.92Å
394S30.5Very low35.2Very low103 Ų103129.8 Ų129.872%0.7267%0.672SS**  trans-76.888.7175.244.50000111.2I392 S396I392-S394 PolarHBondContact O-N 3.18Å; S394-S396 PolarHBondContact O-N 2.83Å
395Y36.8Very low35.2Very low132 Ų132131.7 Ų131.752%0.51868%0.676SS.*  trans-69.391.9172.9-76.1-86.6000111.1Q393 F397Q393-Y395 HydrophobicContact CB-CD2 4.14Å; Q393-Y395 HydrophobicContact CB-CE2 3.74Å; Q393-Y395 WeakPolarHBondContact O-CD2 3.16Å; Q393-Y395 PolarHBondContact O-N 2.99Å; Q393-Y395 VanDerWaalsContact O-N 3.09Å; Q393-Y395 PolarHBondContact OE1-OH 2.92Å; Y395-F397 PolarHBondContact O-N 3.34Å
396S33.4Very low35.5Very low101 Ų101135.3 Ų135.371%0.70669%0.689SS**  trans-7187.3173.845.60000111.3S394 T398S394-S396 PolarHBondContact O-N 2.83Å; S396-T398 PolarHBondContact O-N 2.87Å
397F38.5Very low36.4Very low112 Ų112132.2 Ų132.249%0.49168%0.682SS.*  trans-62.896.8170.3-96.8-87.9000110.9Y395 R399 F457 T459Y395-F397 PolarHBondContact O-N 3.34Å; F397-R399 VanDerWaalsContact C-N 3.28Å; F397-R399 PolarHBondContact O-N 2.9Å; F397-F457 HydrophobicContact CE1-CE1 4.14Å; F397-F457 HydrophobicContact CZ-CE1 4.14Å; F397-T459 HydrophobicContact CE1-CG2 4.45Å
398T35.3Very low37.7Very low123 Ų123130.4 Ų130.476%0.75567%0.669SS**  trans-73.182.1169.838.40000109.9S396 T400S396-T398 PolarHBondContact O-N 2.87Å; T398-T400 PolarHBondContact O-N 2.9Å
399R37Very low39.2Very low141 Ų141124.2 Ų124.253%0.53264%0.641SS.*  trans-57.292.6177.9-171.3178-170.9152.34.6111.1F397 Q401 H403F397-R399 VanDerWaalsContact C-N 3.28Å; F397-R399 PolarHBondContact O-N 2.9Å; R399-Q401 PolarHBondContact O-N 2.83Å; R399-H403 PolarHBondContact NH2-CD2 3.09Å
400T30.7Very low41.1Very low127 Ų127120.9 Ų120.978%0.77962%0.623SS**  trans-72.7116.9172.835.90000109.4T398T398-T400 PolarHBondContact O-N 2.9Å
401Q30.2Very low43.2Very low164 Ų164120.6 Ų120.677%0.76661%0.609SS**SBendtrans76.6132.1179-49.6-179.2-0.900115.2R399R399-Q401 PolarHBondContact O-N 2.83Å
402H31.6Very low45.5Very low158 Ų158114 Ų11473%0.73157%0.573SS**SBendtrans49.975169.3-55.6-62.2000118.6
403H31.5Very low47.5Very low111 Ų111113.9 Ų113.951%0.51458%0.579SS.*  -168.6146.5124.7-108.6-87.6000109.5R399R399-H403 PolarHBondContact NH2-CD2 3.09Å
404P31.6Very low49.4Very low118 Ų118114.3 Ų114.377%0.76659%0.586SS**SBendtrans-86-4.1-166.832.9-36.5000116.4
405N40Very low51.8Low126 Ų126110.4 Ų110.467%0.67456%0.558SS**  trans-113.3121.7-179.3-76.4-19.4000111.5Q407N405-Q407 VanDerWaalsContact C-N 3.27Å; N405-Q407 PolarHBondContact O-N 3.44Å
406Q44Very low54.1Low198 Ų198109.5 Ų109.593%0.92556%0.557SS**  trans-78.970.9171.5-68.6-176.5-1100110.9Q408Q406-Q408 PolarHBondContact O-N 3.25Å
407Q56Low56.4Low124 Ų124110.7 Ų110.758%0.57955%0.554SS**  trans-70.3114.8167.8-74-172.2-8.100109.4N405N405-Q407 VanDerWaalsContact C-N 3.27Å; N405-Q407 PolarHBondContact O-N 3.44Å
408Q65Low58.4Low110 Ų110106.4 Ų106.451%0.51454%0.536SS..  trans-72.2131.1169.3-65.4-174.29.200108.9I378 Q406I378-Q408 HydrophobicContact CB-CB 4.37Å; I378-Q408 HydrophobicContact CD1-CB 3.71Å; I378-Q408 HydrophobicContact CG1-CB 4.11Å; I378-Q408 PolarHBondContact N-O 3.26Å; Q406-Q408 PolarHBondContact O-N 3.25Å
409L71.6Confident60.2Low38 Ų38109.9 Ų109.920%0.19954%0.536CS..EExtended strand (participates in β ladder)trans-109.7128.3179.7-64.7-177.4000109.5Y375 P377 I455Y375-L409 HydrophobicContact CD1-CB 3.8Å; Y375-L409 HydrophobicContact CG-CB 4.23Å; Y375-L409 HydrophobicContact CG-CD1 4.35Å; P377-L409 HydrophobicContact CB-CD2 4.43Å; L409-I455 HydrophobicContact CD2-CD1 3.81Å
410I78.9Confident61.8Low26 Ų26106.5 Ų106.513%0.13353%0.534CS..EExtended strand (participates in β ladder)trans-95.5124.2170-65.7173.2000108Y375 R376 I378 L389 I392Y375-I410 CarbonylContact C-O 3.57Å; Y375-I410 WeakPolarHBondContact CA-O 3.17Å; R376-I410 HydrophobicContact CG-CB 4Å; R376-I410 HydrophobicContact CG-CG2 4.41Å; R376-I410 WeakPolarHBondContact CG-O 3.22Å; R376-I410 PolarHBondContact N-O 2.9Å; R376-I410 PolarHBondContact O-N 3.08Å; I378-I410 HydrophobicContact CD1-CD1 3.75Å; I378-I410 HydrophobicContact CD1-CG1 3.73Å; I378-I410 HydrophobicContact CG1-CD1 3.67Å; I378-I410 HydrophobicContact CG1-CG1 3.7Å; L389-I410 HydrophobicContact CD2-CD1 4.12Å; I392-I410 HydrophobicContact CG2-CG2 4.49Å
411R81.7Confident63.6Low116 Ų116102.5 Ų102.544%0.43852%0.517SS..EExtended strand (participates in β ladder)trans-61.2132.3170.2-171.2-163.3-179.7-173.88.1110D373 Y375D373-R411 HydrophobicContact CB-CG 4.46Å; D373-R411 WeakPolarHBondContact OD1-CG 3.36Å; D373-R411 IonicContact OD1-NE 2.87Å; D373-R411 PolarHBondContact OD1-NE 3.12Å; D373-R411 VanDerWaalsContact OD1-NE 3.09Å; D373-R411 IonicContact OD2-CZ 2.69Å; D373-R411 IonicContact OD2-NE 3.57Å; D373-R411 PolarHBondContact OD2-NE 3.32Å; D373-R411 IonicContact OD2-NH2 3.23Å; D373-R411 PolarHBondContact OD2-NH2 3.3Å; Y375-R411 HydrophobicContact CD1-CB 4.24Å; Y375-R411 HydrophobicContact CE1-CB 4.01Å; Y375-R411 HydrophobicContact CE1-CG 4.41Å
412I83.4Confident66.1Low23 Ų2394.7 Ų94.712%0.11848%0.481CS..PPolyproline II helixtrans-84.4119.1-179.9-59.9180000109W374 R376 L425 L454W374-I412 HydrophobicContact CB-CB 4.28Å; W374-I412 HydrophobicContact CB-CD1 4.3Å; W374-I412 PolarHBondContact O-N 3.5Å; R376-I412 HydrophobicContact CB-CD1 4.24Å; R376-I412 HydrophobicContact CB-CG1 4.36Å; R376-I412 HydrophobicContact CG-CD1 4.46Å; R376-I412 HydrophobicContact CG-CG1 4.07Å; I412-L425 HydrophobicContact CD1-CD2 4.16Å; I412-L425 HydrophobicContact CG2-CD1 3.76Å; I412-L425 HydrophobicContact CG2-CD2 4.39Å; I412-L454 HydrophobicContact CD1-CD2 3.68Å
413P74.7Confident68.7Low95 Ų9587.2 Ų87.262%0.61745%0.447SS*.THydrogen-bonded Turntrans-66158.4177.528.7-34.8000111.5S415P413-S415 VanDerWaalsContact C-N 3.29Å; P413-S415 PolarHBondContact O-N 2.87Å
414N73.9Confident71.4Confident154 Ų15482.4 Ų82.482%0.82442%0.424SS*.THydrogen-bonded Turntrans69.312.6177.7-48.1-35.5000116.2
415S81.8Confident74.1Confident21 Ų2177 Ų7715%0.14739%0.389CS..  trans-62.8134163.663.20000111.3D373 P413 E424D373-S415 PolarHBondContact OD1-OG 2.94Å; P413-S415 VanDerWaalsContact C-N 3.29Å; P413-S415 PolarHBondContact O-N 2.87Å; S415-E424 CarbonylContact C-O 3.32Å
416K85.2Confident76.2Confident114 Ų11477.4 Ų77.450%0.49639%0.385SS..EExtended strand (participates in β ladder)trans-113.9116.4-173.2171.2-177154-148.60111.1E424K416-E424 HydrophobicContact CB-CB 4.32Å; K416-E424 WeakPolarHBondContact CD-OE1 3.37Å; K416-E424 PolarHBondContact N-O 3.44Å; K416-E424 IonicContact NZ-OE1 2.68Å; K416-E424 PolarHBondContact NZ-OE1 3.42Å; K416-E424 WeakPolarHBondContact O-CB 3.42Å; K416-E424 PolarHBondContact O-N 3.14Å
417I81.3Confident77.7Confident125 Ų12569 Ų6964%0.64135%0.346SS*.EExtended strand (participates in β ladder)trans-69.3133.2174.7-59.9171000109.7I423I417-I423 HydrophobicContact CG1-CD1 4.5Å
418L81.3Confident78.6Confident22 Ų2267.3 Ų67.312%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-95.5144.6179.1-60.7175.4000110.8R361 S420 G421 G422 E424R361-L418 HydrophobicContact CB-CD1 4.42Å; R361-L418 HydrophobicContact CG-CD1 3.91Å; L418-S420 PolarHBondContact O-N 2.86Å; L418-S420 VanDerWaalsContact O-N 3.09Å; L418-G421 PolarHBondContact O-N 3.02Å; L418-G422 WeakPolarHBondContact CB-O 3.17Å; L418-G422 PolarHBondContact N-O 3.43Å; L418-E424 HydrophobicContact CD1-CB 4.27Å; L418-E424 HydrophobicContact CD2-CB 3.97Å; L418-E424 HydrophobicContact CG-CB 4.13Å
419R73.7Confident78.7Confident196 Ų19667.2 Ų67.274%0.7434%0.343SS*.THydrogen-bonded Turntrans-60.8-18.6175.3-67.4-175.1176.3-158.4-1.2113.5N672R419-N672 PolarHBondContact NH1-OD1 2.79Å
420S69Low78.4Confident71 Ų7172 Ų7250%0.49736%0.362SS..THydrogen-bonded Turntrans-91.718.5179.949.70000114.6L418L418-S420 PolarHBondContact O-N 2.86Å; L418-S420 VanDerWaalsContact O-N 3.09Å
421G69.7Low77.6Confident42 Ų4271.9 Ų71.943%0.43336%0.362SS..THydrogen-bonded Turntrans74.641.1175.100000114V364 L418V364-G421 PolarHBondContact N-O 3.23Å; L418-G421 PolarHBondContact O-N 3.02Å
422G81.7Confident76.3Confident1 Ų173.9 Ų73.91%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-147.1179.317500000112.1C362 L418C362-G422 CarbonylContact O-C 3.59Å; C362-G422 WeakPolarHBondContact O-CA 3.22Å; L418-G422 WeakPolarHBondContact CB-O 3.17Å; L418-G422 PolarHBondContact N-O 3.43Å
423I87Confident74.7Confident0 Ų076.7 Ų76.70%040%0.396CS..EExtended strand (participates in β ladder)trans-134.1123.8-177.6-168.2175.8000112.2R361 C362 M372 W374 I417R361-I423 WeakPolarHBondContact CA-O 2.98Å; C362-I423 HydrophobicContact CB-CG2 4.23Å; C362-I423 PolarHBondContact N-O 2.99Å; C362-I423 PolarHBondContact O-N 2.92Å; M372-I423 HydrophobicContact CB-CB 4.49Å; M372-I423 HydrophobicContact CB-CG2 4.25Å; M372-I423 HydrophobicContact CE-CG2 3.97Å; W374-I423 PolarHBondContact NE1-O 2.94Å; I417-I423 HydrophobicContact CG1-CD1 4.5Å
424E88.1Confident72.9Confident10 Ų1080.9 Ų80.95%0.04740%0.404CS..EExtended strand (participates in β ladder)trans-93.9131.8-178-173.3173.589.200110.3T359 V360 R361 S415 K416 L418T359-E424 HydrophobicContact CG2-CG 3.37Å; V360-E424 CarbonylContact O-C 3.56Å; V360-E424 WeakPolarHBondContact O-CA 3.24Å; R361-E424 HydrophobicContact CG-CB 4.02Å; R361-E424 HydrophobicContact CG-CG 4.03Å; R361-E424 IonicContact CZ-OE2 2.89Å; R361-E424 IonicContact NE-OE2 3.77Å; R361-E424 PolarHBondContact NE-OE2 3.02Å; R361-E424 IonicContact NH2-OE2 2.72Å; R361-E424 PolarHBondContact NH2-OE2 3.36Å; S415-E424 CarbonylContact C-O 3.32Å; K416-E424 HydrophobicContact CB-CB 4.32Å; K416-E424 WeakPolarHBondContact CD-OE1 3.37Å; K416-E424 PolarHBondContact N-O 3.44Å; K416-E424 IonicContact NZ-OE1 2.68Å; K416-E424 PolarHBondContact NZ-OE1 3.42Å; K416-E424 WeakPolarHBondContact O-CB 3.42Å; K416-E424 PolarHBondContact O-N 3.14Å; L418-E424 HydrophobicContact CD1-CB 4.27Å; L418-E424 HydrophobicContact CD2-CB 3.97Å; L418-E424 HydrophobicContact CG-CB 4.13Å
425L87.2Confident71.2Confident4 Ų479.5 Ų79.52%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-125.7130.1172.5178.862.8000109T359 V360 W374 I412 L427 L454T359-L425 WeakPolarHBondContact CA-O 3.27Å; V360-L425 PolarHBondContact N-O 3.23Å; V360-L425 PolarHBondContact O-N 3.27Å; W374-L425 HydrophobicContact CB-CD2 4Å; W374-L425 HydrophobicContact CD2-CB 4.26Å; W374-L425 HydrophobicContact CD2-CD2 3.91Å; W374-L425 HydrophobicContact CE3-CD2 4.29Å; W374-L425 HydrophobicContact CG-CB 4.03Å; W374-L425 HydrophobicContact CG-CD2 3.8Å; W374-L425 HydrophobicContact CG-CG 4.45Å; I412-L425 HydrophobicContact CD1-CD2 4.16Å; I412-L425 HydrophobicContact CG2-CD1 3.76Å; I412-L425 HydrophobicContact CG2-CD2 4.39Å; L425-L427 HydrophobicContact CD2-CD1 4.39Å; L425-L427 HydrophobicContact CD2-CD2 3.93Å; L425-L427 HydrophobicContact CD2-CG 4.24Å; L425-L427 HydrophobicContact CG-CD2 4.08Å; L425-L427 HydrophobicContact CG-CG 4.08Å; L425-L454 HydrophobicContact CD2-CD1 4.13Å
426K84.4Confident69.2Low135 Ų13585.8 Ų85.859%0.58743%0.429SS*.EExtended strand (participates in β ladder)trans-102.8131.3174.2-68.4-166.6171.7-161.70109.7T359T359-K426 HydrophobicContact CG2-CG 3.79Å
427L77Confident67Low21 Ų2188.3 Ų88.311%0.1145%0.448CS..EExtended strand (participates in β ladder)trans-127.9122.9-172.4-66.2162.7000107.8I357 I358 V360 L425 L454 W473I357-L427 WeakPolarHBondContact CA-O 3.3Å; I358-L427 PolarHBondContact N-O 2.92Å; I358-L427 PolarHBondContact O-N 3.3Å; V360-L427 HydrophobicContact CG2-CD1 4.04Å; L425-L427 HydrophobicContact CD2-CD1 4.39Å; L425-L427 HydrophobicContact CD2-CD2 3.93Å; L425-L427 HydrophobicContact CD2-CG 4.24Å; L425-L427 HydrophobicContact CG-CD2 4.08Å; L425-L427 HydrophobicContact CG-CG 4.08Å; L427-L454 HydrophobicContact CD1-CD1 3.36Å; L427-L454 HydrophobicContact CD2-CD1 3.73Å; L427-L454 HydrophobicContact CG-CD1 4.18Å; L427-W473 HydrophobicContact CB-CE3 4.18Å; L427-W473 HydrophobicContact CB-CH2 3.83Å; L427-W473 HydrophobicContact CB-CZ3 3.32Å; L427-W473 HydrophobicContact CD1-CE3 3.94Å; L427-W473 HydrophobicContact CD1-CZ3 3.66Å; L427-W473 HydrophobicContact CG-CZ3 4.09Å
428S73.2Confident64.8Low90 Ų9084.8 Ų84.863%0.62944%0.435SS*.EExtended strand (participates in β ladder)trans-117.6132.7-179.558.30000111.4L356L356-S428 CarbonylContact O-C 3.6Å; L356-S428 VanDerWaalsContact O-CA 3.29Å; L356-S428 WeakPolarHBondContact O-CA 3.35Å
429R67.9Low62.8Low107 Ų10789 Ų8940%0.40446%0.456SS..EExtended strand (participates in β ladder)trans-131.4121.9178-175.8174179.4149.32.1110.7S355 L356 W473S355-R429 CarbonylContact C-O 3.51Å; S355-R429 WeakPolarHBondContact CA-O 3.31Å; L356-R429 PolarHBondContact N-O 3.28Å; L356-R429 PolarHBondContact O-N 2.97Å; R429-W473 HydrophobicContact CB-CZ2 3.94Å
430K65.1Low60.9Low138 Ų13889.8 Ų89.860%0.647%0.465SS*.EExtended strand (participates in β ladder)trans-72.4134.7177.2-56.6-164.6179.1-146.70111D353 N354D353-K430 WeakPolarHBondContact OD1-CD 3.39Å; D353-K430 WeakPolarHBondContact OD1-CE 3.44Å; D353-K430 IonicContact OD1-NZ 2.65Å; D353-K430 PolarHBondContact OD1-NZ 3.48Å; D353-K430 WeakPolarHBondContact OD2-CE 3.37Å; D353-K430 IonicContact OD2-NZ 3.13Å; D353-K430 PolarHBondContact OD2-NZ 3.34Å; N354-K430 CarbonylContact O-C 3.54Å; N354-K430 WeakPolarHBondContact O-CA 3.39Å
431I61.7Low59.1Low25 Ų2594.4 Ų94.413%0.12848%0.479CS..  trans-104.3129.7170-35.9174.4000109.3F333 N354 L356 L433 I476F333-I431 HydrophobicContact CE1-CD1 4.44Å; F333-I431 HydrophobicContact CZ-CD1 4.33Å; N354-I431 WeakPolarHBondContact CB-O 3.4Å; N354-I431 PolarHBondContact O-N 3.44Å; L356-I431 HydrophobicContact CD1-CD1 3.63Å; L356-I431 HydrophobicContact CD1-CG1 3.98Å; L356-I431 HydrophobicContact CD2-CD1 4.45Å; L356-I431 HydrophobicContact CG-CD1 3.76Å; L356-I431 HydrophobicContact CG-CG1 4.09Å; I431-L433 HydrophobicContact CB-CG 4.19Å; I431-L433 HydrophobicContact CG2-CD2 3.88Å; I431-L433 HydrophobicContact CG2-CG 3.94Å; I431-L433 PolarHBondContact O-N 3.39Å; I431-I476 HydrophobicContact CG2-CD1 4.43Å
432N54.4Low57.3Low158 Ų158100.7 Ų100.785%0.84550%0.495SS*.  trans-84.597.8161.5-89.6-23.2000109.6K434N432-K434 VanDerWaalsContact C-N 3.29Å; N432-K434 PolarHBondContact O-N 3.16Å; N432-K434 VanDerWaalsContact O-N 3.11Å
433L50.3Low54.7Low82 Ų82107.4 Ų107.443%0.42953%0.531SS..  trans-85.472.8174.2-66.8165.8000110.2F333 I431F333-L433 HydrophobicContact CE2-CD1 3.52Å; F333-L433 HydrophobicContact CZ-CD1 3.59Å; F333-L433 HydrophobicContact CZ-CD2 3.81Å; F333-L433 HydrophobicContact CZ-CG 4.35Å; I431-L433 HydrophobicContact CB-CG 4.19Å; I431-L433 HydrophobicContact CG2-CD2 3.88Å; I431-L433 HydrophobicContact CG2-CG 3.94Å; I431-L433 PolarHBondContact O-N 3.39Å
434K37.7Very low51.9Low182 Ų182114.8 Ų114.879%0.79157%0.57SS**  trans-144.391.8172.5-72-172.1177.5179.80109.7N432N432-K434 VanDerWaalsContact C-N 3.29Å; N432-K434 PolarHBondContact O-N 3.16Å; N432-K434 VanDerWaalsContact O-N 3.11Å
435D37.5Very low49.1Very low125 Ų125122.9 Ų122.967%0.66861%0.608SS**  trans158.676.4140.3-80.8-6.6000111N437 S438D435-N437 PolarHBondContact O-N 2.92Å; D435-S438 PolarHBondContact O-N 2.67Å; D435-S438 PolarHBondContact O-OG 3.1Å
436D39.5Very low46.4Very low153 Ų153128.1 Ų128.182%0.81865%0.645SS**THydrogen-bonded Turntrans-63.86.3180-74.3-41.7000115.1
437N39.3Very low43.9Very low168 Ų168130.6 Ų130.690%0.89866%0.658SS**THydrogen-bonded Turntrans-112.4-8.2-179.9-74.3-46.6000114.6D435D435-N437 PolarHBondContact O-N 2.92Å
438S35.4Very low41.8Very low51 Ų51136.8 Ų136.836%0.35769%0.69SS.*  trans-92.4-6.2-17661.90000114.5D435 K440 Q441D435-S438 PolarHBondContact O-N 2.67Å; D435-S438 PolarHBondContact O-OG 3.1Å; S438-K440 PolarHBondContact O-N 2.9Å; S438-Q441 PolarHBondContact O-N 3.26Å; S438-Q441 VanDerWaalsContact O-N 3.15Å
439L38.9Very low40.1Very low109 Ų109136.8 Ų136.857%0.57169%0.69SS**THydrogen-bonded Turntrans-74.427.4-165.6-150.4113.1000116R480L439-R480 VanDerWaalsContact CD2-NH1 3.33Å
440K34.6Very low39.3Very low214 Ų214136.1 Ų136.193%0.9370%0.698SS**THydrogen-bonded Turntrans-131.912.7171-73.7-171174.3-178.80113.3S438S438-K440 PolarHBondContact O-N 2.9Å
441Q30.9Very low38.7Very low168 Ų168132.9 Ų132.979%0.78569%0.69SS**  trans-135.121.5-173.3-147.4166.53.200114.2S438 D443S438-Q441 PolarHBondContact O-N 3.26Å; S438-Q441 VanDerWaalsContact O-N 3.15Å; Q441-D443 PolarHBondContact O-N 3.35Å
442F31.7Very low38.8Very low174 Ų174136.1 Ų136.176%0.76370%0.704SS**  trans-78.239.1171.2-85.4-81.4000113.2
443D27.9Very low39.4Very low142 Ų142132.4 Ų132.476%0.75968%0.681SS**SBendtrans-114.9117.1169.6-95.1-47.8000109Q441Q441-D443 PolarHBondContact O-N 3.35Å
444N27.7Very low40.7Very low154 Ų154129 Ų12982%0.82466%0.663SS**SBendtrans82.2149-173.1-49.7-84.5000116.5
445Q29.3Very low42.7Very low180 Ų180120.5 Ų120.584%0.84163%0.626SS**SBendtrans72.772.7171.1-56.4-168.3-1.500118.5
446S29.5Very low44.9Very low114 Ų114114.5 Ų114.580%0.79759%0.594SS**  52.269.2123.863.80000119.6
447E31.7Very low46.8Very low187 Ų187108.7 Ų108.787%0.87456%0.562SS**  trans-109.3134.1138-75.9-156.1136.100109.5S449E447-S449 PolarHBondContact O-N 2.86Å
448I33Very low48.8Very low151 Ų151100.7 Ų100.777%0.77452%0.519SS*.  trans-78.6113.2-171.8-58.1166.6000109.1T450I448-T450 HydrophobicContact CB-CG2 4.46Å; I448-T450 HydrophobicContact CG2-CG2 3.85Å; I448-T450 PolarHBondContact O-N 3.46Å
449S37.9Very low50.9Low90 Ų9099.2 Ų99.263%0.62951%0.507SS*.  trans-71.473.9169.749.10000110.6E447 T451E447-S449 PolarHBondContact O-N 2.86Å; S449-T451 PolarHBondContact O-N 2.93Å
450T50.3Low52.5Low93 Ų9394.4 Ų94.457%0.57148%0.482SS*.  trans-61.696.417555.70000109.4I448 E452I448-T450 HydrophobicContact CB-CG2 4.46Å; I448-T450 HydrophobicContact CG2-CG2 3.85Å; I448-T450 PolarHBondContact O-N 3.46Å; T450-E452 PolarHBondContact O-N 3.07Å; T450-E452 VanDerWaalsContact O-N 3.08Å
451T54.2Low54.2Low70 Ų7086.4 Ų86.443%0.42945%0.454SS..  trans-68.2103.4172.141.80000108.2S449 K453S449-T451 PolarHBondContact O-N 2.93Å; T451-K453 PolarHBondContact O-N 2.86Å; T451-K453 VanDerWaalsContact O-N 3.11Å
452E62.3Low55.8Low93 Ų9379.4 Ų79.444%0.43542%0.421SS..  trans-64.5115.8173-65.7-157.2123.900108.7T450 W473T450-E452 PolarHBondContact O-N 3.07Å; T450-E452 VanDerWaalsContact O-N 3.08Å; E452-W473 HydrophobicContact CB-CB 4.32Å; E452-W473 PolarHBondContact O-N 2.75Å
453K67.7Low57.5Low81 Ų8173.6 Ų73.635%0.35241%0.411SS..EExtended strand (participates in β ladder)trans-90.4112.1177.3-68.3-167.7178.4-142.80108.8P377 T451 V470 H472P377-K453 WeakPolarHBondContact CD-O 3.35Å; P377-K453 HydrophobicContact CG-CB 4.16Å; T451-K453 PolarHBondContact O-N 2.86Å; T451-K453 VanDerWaalsContact O-N 3.11Å; K453-V470 HydrophobicContact CB-CG1 3.88Å; K453-V470 HydrophobicContact CD-CG1 3.9Å; K453-V470 HydrophobicContact CG-CG1 3.91Å; K453-H472 VanDerWaalsContact CE-NE2 3.26Å; K453-H472 WeakPolarHBondContact CE-NE2 3.24Å; K453-H472 PolarHBondContact NZ-NE2 2.03Å
454L77.1Confident59.5Low9 Ų969.7 Ų69.75%0.04739%0.39CS..EExtended strand (participates in β ladder)trans-110.6126.4179.5-50.8-179.9000108.2W374 I412 L425 L427 F471W374-L454 HydrophobicContact CE3-CB 4.06Å; W374-L454 HydrophobicContact CZ3-CB 4.03Å; I412-L454 HydrophobicContact CD1-CD2 3.68Å; L425-L454 HydrophobicContact CD2-CD1 4.13Å; L427-L454 HydrophobicContact CD1-CD1 3.36Å; L427-L454 HydrophobicContact CD2-CD1 3.73Å; L427-L454 HydrophobicContact CG-CD1 4.18Å; L454-F471 HydrophobicContact CB-CB 4.42Å; L454-F471 HydrophobicContact CB-CD1 4.42Å; L454-F471 HydrophobicContact CD1-CD1 4.04Å; L454-F471 HydrophobicContact CD1-CE1 4.46Å; L454-F471 HydrophobicContact CG-CD1 4.45Å; L454-F471 PolarHBondContact N-O 3.32Å; L454-F471 PolarHBondContact O-N 3.02Å
455I79.2Confident61.4Low4 Ų465.1 Ų65.12%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-107.6111.7-176.5-66.2167.7000108.3W374 Y375 L409 F457 E468 I469 V470W374-I455 WeakPolarHBondContact CA-O 3.29Å; Y375-I455 PolarHBondContact N-O 2.81Å; Y375-I455 PolarHBondContact O-N 3.5Å; L409-I455 HydrophobicContact CD2-CD1 3.81Å; I455-F457 HydrophobicContact CG2-CB 4.19Å; I455-E468 HydrophobicContact CG2-CG 3.92Å; I455-I469 WeakPolarHBondContact CA-O 3.23Å; I455-V470 HydrophobicContact CG1-CG2 4.33Å
456C83.7Confident63.5Low0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-76.5129160.6175.50000108.4C362 W374 I469C362-C456 HydrophobicContact CB-CB 3.63Å; C362-C456 WeakPolarHBondContact CB-SG 2.97Å; C362-C456 WeakPolarHBondContact SG-CB 3.24Å; C362-C456 CovalentContact SG-SG 2.03Å; C362-C456 PolarHBondContact SG-SG 2.84Å; W374-C456 HydrophobicContact CD2-CB 4.31Å; W374-C456 HydrophobicContact CE3-CB 4Å; W374-C456 HydrophobicContact CH2-CB 3.87Å; W374-C456 HydrophobicContact CZ2-CB 4.17Å; W374-C456 HydrophobicContact CZ3-CB 3.77Å; C456-I469 HydrophobicContact CB-CB 4.14Å; C456-I469 HydrophobicContact CB-CD1 4.01Å; C456-I469 HydrophobicContact CB-CG2 4.46Å; C456-I469 PolarHBondContact N-O 3.24Å
457F80.9Confident65.1Low31 Ų3153.1 Ų53.114%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-141.6133.9-177.7-177.9-109000110D373 Y375 F397 I455 T459 T465D373-F457 PolarHBondContact N-O 2.75Å; D373-F457 PolarHBondContact O-N 3.13Å; D373-F457 VanDerWaalsContact O-N 3.09Å; Y375-F457 HydrophobicContact CD2-CB 3.77Å; Y375-F457 HydrophobicContact CD2-CD1 4.45Å; Y375-F457 HydrophobicContact CE2-CB 3.84Å; Y375-F457 AromaticContact CE2-CD1 3.86Å; Y375-F457 HydrophobicContact CE2-CD1 3.86Å; Y375-F457 HydrophobicContact CE2-CG 4.32Å; F397-F457 HydrophobicContact CE1-CE1 4.14Å; F397-F457 HydrophobicContact CZ-CE1 4.14Å; I455-F457 HydrophobicContact CG2-CB 4.19Å; F457-T459 HydrophobicContact CD1-CG2 4.07Å; F457-T459 HydrophobicContact CE1-CG2 3.35Å; F457-T459 HydrophobicContact CZ-CG2 3.69Å; F457-T465 HydrophobicContact CE2-CG2 3.61Å; F457-T465 HydrophobicContact CZ-CG2 3.51Å
458A80.5Confident66.7Low0 Ų047.2 Ų47.20%028%0.278CS..EExtended strand (participates in β ladder)trans-132.5144.9178.700000111.4V364 L370 Q371 M372 T465 S466V364-A458 HydrophobicContact CB-CB 4.11Å; V364-A458 HydrophobicContact CG1-CB 3.88Å; V364-A458 HydrophobicContact CG2-CB 4.11Å; L370-A458 HydrophobicContact CD1-CB 4.01Å; L370-A458 HydrophobicContact CD2-CB 4.07Å; L370-A458 HydrophobicContact CG-CB 4.11Å; Q371-A458 CarbonylContact O-C 3.59Å; Q371-A458 WeakPolarHBondContact O-CA 3.38Å; M372-A458 HydrophobicContact CB-CB 4.38Å; M372-A458 HydrophobicContact CG-CB 3.75Å; A458-T465 CarbonylContact O-C 3.57Å; A458-T465 VanDerWaalsContact O-CA 3.24Å; A458-T465 WeakPolarHBondContact O-CA 3.45Å; A458-S466 PolarHBondContact N-OG 2.87Å; A458-S466 PolarHBondContact O-N 3.27Å
459T79.1Confident68.3Low19 Ų1940.4 Ų40.412%0.11724%0.243CC..EExtended strand (participates in β ladder)trans-133.7133.3-177.856.80000111.6L370 Q371 F397 F457 N464 T465L370-T459 WeakPolarHBondContact CD1-O 3.25Å; Q371-T459 PolarHBondContact N-O 3.44Å; Q371-T459 PolarHBondContact O-N 3.17Å; F397-T459 HydrophobicContact CE1-CG2 4.45Å; F457-T459 HydrophobicContact CD1-CG2 4.07Å; F457-T459 HydrophobicContact CE1-CG2 3.35Å; F457-T459 HydrophobicContact CZ-CG2 3.69Å; T459-N464 WeakPolarHBondContact CA-O 3.35Å; T459-T465 HydrophobicContact CG2-CG2 4.23Å
460D74.1Confident69.6Low9 Ų937.7 Ų37.75%0.04822%0.223CC..  trans-80.5175.717178.6-0.8000111.9P318 N462 G463 N464P318-D460 HydrophobicContact CG-CB 4.09Å; D460-N462 PolarHBondContact O-N 2.84Å; D460-N462 VanDerWaalsContact OD1-CA 3.28Å; D460-N462 WeakPolarHBondContact OD1-CA 3.33Å; D460-N462 VanDerWaalsContact OD1-CB 3.25Å; D460-N462 WeakPolarHBondContact OD1-CB 3.32Å; D460-N462 PolarHBondContact OD1-N 3.24Å; D460-N462 PolarHBondContact OD2-ND2 3.29Å; D460-G463 PolarHBondContact O-N 3.43Å; D460-G463 PolarHBondContact OD1-N 3.26Å; D460-N464 PolarHBondContact N-O 3.37Å; D460-N464 WeakPolarHBondContact OD1-CB 3.17Å; D460-N464 PolarHBondContact OD1-N 3.32Å; D460-N464 WeakPolarHBondContact OD2-CB 3.48Å; D460-N464 PolarHBondContact OD2-ND2 3.23Å
461S69Low70.5Confident46 Ų4633.4 Ų33.432%0.32220%0.196SC..THydrogen-bonded Turntrans-66.7-14.9175.554.40000114.3
462N64.4Low71Confident20 Ų2031.3 Ų31.311%0.10718%0.182CC..THydrogen-bonded Turntrans-83.3-23.4175.9-53.8-72.5000111.9C233 K234 D460C233-N462 WeakPolarHBondContact CB-OD1 3.3Å; C233-N462 PolarHBondContact N-OD1 3.44Å; C233-N462 VanDerWaalsContact N-OD1 3.16Å; K234-N462 WeakPolarHBondContact CE-O 3.02Å; K234-N462 PolarHBondContact NZ-O 3.39Å; D460-N462 PolarHBondContact O-N 2.84Å; D460-N462 VanDerWaalsContact OD1-CA 3.28Å; D460-N462 WeakPolarHBondContact OD1-CA 3.33Å; D460-N462 VanDerWaalsContact OD1-CB 3.25Å; D460-N462 WeakPolarHBondContact OD1-CB 3.32Å; D460-N462 PolarHBondContact OD1-N 3.24Å; D460-N462 PolarHBondContact OD2-ND2 3.29Å
463G67.6Low71.2Confident53 Ų5327.7 Ų27.755%0.54616%0.164SC..SBendtrans99.55.7-170.100000113.7D460D460-G463 PolarHBondContact O-N 3.43Å; D460-G463 PolarHBondContact OD1-N 3.26Å
464N69.3Low70.9Confident59 Ų5924.6 Ų24.632%0.31615%0.152SC..  trans-71.3137.1173.1-57.5-49.7000109.6T317 T459 D460T317-N464 HydrophobicContact CG2-CB 4.04Å; T459-N464 WeakPolarHBondContact CA-O 3.35Å; D460-N464 PolarHBondContact N-O 3.37Å; D460-N464 WeakPolarHBondContact OD1-CB 3.17Å; D460-N464 PolarHBondContact OD1-N 3.32Å; D460-N464 WeakPolarHBondContact OD2-CB 3.48Å; D460-N464 PolarHBondContact OD2-ND2 3.23Å
465T69.5Low70Confident59 Ų5927 Ų2736%0.36217%0.167SC..BIsolated β-bridgetrans-101159.9-178.875.60000111.8F457 A458 T459F457-T465 HydrophobicContact CE2-CG2 3.61Å; F457-T465 HydrophobicContact CZ-CG2 3.51Å; A458-T465 CarbonylContact O-C 3.57Å; A458-T465 VanDerWaalsContact O-CA 3.24Å; A458-T465 WeakPolarHBondContact O-CA 3.45Å; T459-T465 HydrophobicContact CG2-CG2 4.23Å
466S71.8Confident68.9Low8 Ų830.6 Ų30.66%0.05619%0.186CC..  trans-65.8177.3158.363.20000111.4P318 A458P318-S466 WeakPolarHBondContact O-CA 3.3Å; A458-S466 PolarHBondContact N-OG 2.87Å; A458-S466 PolarHBondContact O-N 3.27Å
467A64.1Low67.7Low34 Ų3435.7 Ų35.728%0.28121%0.209SC..  trans-54.8149.2155.100000110.7
468E65.2Low66.7Low63 Ų6335 Ų3529%0.29421%0.209SC..  trans-85.2122.2169.6-174.8-174.2152.900108.5I455I455-E468 HydrophobicContact CG2-CG 3.92Å
469I66.6Low65.6Low7 Ų735.1 Ų35.14%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-11794.3-166.8-62.1157.4000108.7L320 I323 I455 C456 F471 F543L320-I469 HydrophobicContact CB-CD1 4.28Å; L320-I469 HydrophobicContact CD1-CD1 3.6Å; L320-I469 HydrophobicContact CD2-CD1 3.73Å; L320-I469 HydrophobicContact CD2-CG1 4.06Å; L320-I469 HydrophobicContact CG-CD1 4.07Å; I323-I469 HydrophobicContact CD1-CG2 3.5Å; I455-I469 WeakPolarHBondContact CA-O 3.23Å; C456-I469 HydrophobicContact CB-CB 4.14Å; C456-I469 HydrophobicContact CB-CD1 4.01Å; C456-I469 HydrophobicContact CB-CG2 4.46Å; C456-I469 PolarHBondContact N-O 3.24Å; I469-F471 PolarHBondContact O-N 3.47Å; I469-F543 HydrophobicContact CG2-CD1 4.5Å; I469-F543 HydrophobicContact CG2-CE1 3.75Å
470V65.5Low64.6Low34 Ų3438 Ų3821%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-84.789.9179.9-167.40000110.3K453 I455 H472K453-V470 HydrophobicContact CB-CG1 3.88Å; K453-V470 HydrophobicContact CD-CG1 3.9Å; K453-V470 HydrophobicContact CG-CG1 3.91Å; I455-V470 HydrophobicContact CG1-CG2 4.33Å; V470-H472 VanDerWaalsContact CG1-CE1 3.41Å; V470-H472 WeakPolarHBondContact CG1-CE1 3.3Å; V470-H472 PolarHBondContact O-CE1 3.36Å; V470-H472 PolarHBondContact O-ND1 3.44Å; V470-H472 VanDerWaalsContact O-ND1 3.09Å
471F68Low63.7Low2 Ų242.2 Ų42.21%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-73.1135.2166.8177.8-88.8000109.5V325 V360 W374 L454 I469 W473 L542 F543V325-F471 HydrophobicContact CG2-CE2 4.21Å; V360-F471 HydrophobicContact CG1-CD2 4.4Å; V360-F471 HydrophobicContact CG1-CE2 4.4Å; V360-F471 HydrophobicContact CG2-CE1 4.12Å; V360-F471 HydrophobicContact CG2-CE2 4.13Å; V360-F471 HydrophobicContact CG2-CZ 3.79Å; W374-F471 HydrophobicContact CZ3-CB 4.42Å; L454-F471 HydrophobicContact CB-CB 4.42Å; L454-F471 HydrophobicContact CB-CD1 4.42Å; L454-F471 HydrophobicContact CD1-CD1 4.04Å; L454-F471 HydrophobicContact CD1-CE1 4.46Å; L454-F471 HydrophobicContact CG-CD1 4.45Å; L454-F471 PolarHBondContact N-O 3.32Å; L454-F471 PolarHBondContact O-N 3.02Å; I469-F471 PolarHBondContact O-N 3.47Å; F471-W473 HydrophobicContact CE1-CE3 4.43Å; F471-L542 HydrophobicContact CE2-CD1 4.29Å; F471-L542 HydrophobicContact CE2-CD2 4.06Å; F471-L542 HydrophobicContact CZ-CD2 4.31Å; F471-F543 HydrophobicContact CB-CE1 4.48Å; F471-F543 HydrophobicContact CD2-CZ 4.16Å
472H66.2Low63.2Low27 Ų2742.6 Ų42.613%0.12524%0.237CC..EExtended strand (participates in β ladder)trans-112.6131.9176.7-62.478.4000109.9K453 V470 P474K453-H472 VanDerWaalsContact CE-NE2 3.26Å; K453-H472 WeakPolarHBondContact CE-NE2 3.24Å; K453-H472 PolarHBondContact NZ-NE2 2.03Å; V470-H472 VanDerWaalsContact CG1-CE1 3.41Å; V470-H472 WeakPolarHBondContact CG1-CE1 3.3Å; V470-H472 PolarHBondContact O-CE1 3.36Å; V470-H472 PolarHBondContact O-ND1 3.44Å; V470-H472 VanDerWaalsContact O-ND1 3.09Å; H472-P474 WeakPolarHBondContact O-CD 3.11Å
473W65.5Low62.8Low16 Ų1642 Ų426%0.06123%0.234CC..PPolyproline II helixtrans-62.6123.2175.3-172.8-91.2000111.5I358 L427 R429 E452 F471I358-W473 HydrophobicContact CB-CH2 3.64Å; I358-W473 HydrophobicContact CB-CZ3 3.8Å; I358-W473 HydrophobicContact CD1-CH2 3.57Å; I358-W473 HydrophobicContact CD1-CZ2 3.86Å; I358-W473 HydrophobicContact CD1-CZ3 3.96Å; I358-W473 HydrophobicContact CG1-CH2 3.68Å; I358-W473 HydrophobicContact CG1-CZ2 4.31Å; I358-W473 HydrophobicContact CG1-CZ3 4.22Å; I358-W473 HydrophobicContact CG2-CZ3 4.34Å; L427-W473 HydrophobicContact CB-CE3 4.18Å; L427-W473 HydrophobicContact CB-CH2 3.83Å; L427-W473 HydrophobicContact CB-CZ3 3.32Å; L427-W473 HydrophobicContact CD1-CE3 3.94Å; L427-W473 HydrophobicContact CD1-CZ3 3.66Å; L427-W473 HydrophobicContact CG-CZ3 4.09Å; R429-W473 HydrophobicContact CB-CZ2 3.94Å; E452-W473 HydrophobicContact CB-CB 4.32Å; E452-W473 PolarHBondContact O-N 2.75Å; F471-W473 HydrophobicContact CE1-CE3 4.43Å
474P60.8Low62.3Low17 Ų1741.7 Ų41.711%0.1122%0.22CC..PPolyproline II helixtrans-68.7146.1-178.228.7-35.8000112I358 H472 L479 L542I358-P474 HydrophobicContact CD1-CG 4.43Å; H472-P474 WeakPolarHBondContact O-CD 3.11Å; P474-L479 HydrophobicContact CB-CD2 4.08Å; P474-L479 HydrophobicContact CB-CG 4.02Å; P474-L479 HydrophobicContact CG-CD1 4.17Å; P474-L479 HydrophobicContact CG-CD2 3.64Å; P474-L479 HydrophobicContact CG-CG 3.94Å; P474-L542 HydrophobicContact CB-CD2 4.19Å; P474-L542 HydrophobicContact CG-CD2 4.26Å
475T59.9Low61.7Low59 Ų5943.8 Ų43.836%0.36223%0.231SC..PPolyproline II helixtrans-73.5160.117769.80000110.9E477 S478 L479T475-E477 PolarHBondContact O-N 3.13Å; T475-S478 PolarHBondContact O-N 3.04Å; T475-S478 VanDerWaalsContact O-N 3.17Å; T475-S478 PolarHBondContact OG1-N 2.82Å; T475-S478 VanDerWaalsContact OG1-N 3.12Å; T475-S478 PolarHBondContact OG1-OG 3.21Å; T475-S478 VanDerWaalsContact OG1-OG 3.07Å; T475-L479 WeakPolarHBondContact O-CB 3.37Å; T475-L479 VanDerWaalsContact O-CG 3.27Å; T475-L479 WeakPolarHBondContact O-CG 3.02Å; T475-L479 PolarHBondContact O-N 3.09Å
476I56.1Low60.8Low80 Ų8044.4 Ų44.441%0.4123%0.229SC..Hα-helixtrans-57.6-34.9176.3-63.2175.8000110.8Y334 I431 L479 R480Y334-I476 PolarHBondContact OH-O 2.69Å; I431-I476 HydrophobicContact CG2-CD1 4.43Å; I476-L479 PolarHBondContact O-N 3.18Å; I476-R480 WeakPolarHBondContact O-CB 3.45Å; I476-R480 PolarHBondContact O-N 3.32Å
477E57.9Low59.9Low106 Ų10645.9 Ų45.950%0.49524%0.237SC..Hα-helixtrans-73-39.2177.7-157.557.5-146.500112.7T475 L479 R480 M481T475-E477 PolarHBondContact O-N 3.13Å; E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.44Å; E477-R480 WeakPolarHBondContact O-CB 3.49Å; E477-R480 PolarHBondContact O-N 3.16Å; E477-M481 PolarHBondContact O-N 3.44Å
478S59.5Low59.1Low18 Ų1848.6 Ų48.613%0.12625%0.247CC..Hα-helixtrans-61.2-41.6170.4-59.80000111.6T475 R480 M481 I482T475-S478 PolarHBondContact O-N 3.04Å; T475-S478 VanDerWaalsContact O-N 3.17Å; T475-S478 PolarHBondContact OG1-N 2.82Å; T475-S478 VanDerWaalsContact OG1-N 3.12Å; T475-S478 PolarHBondContact OG1-OG 3.21Å; T475-S478 VanDerWaalsContact OG1-OG 3.07Å; S478-R480 VanDerWaalsContact C-N 3.33Å; S478-R480 PolarHBondContact O-N 2.88Å; S478-M481 PolarHBondContact O-N 2.81Å; S478-I482 WeakPolarHBondContact O-CD1 3.49Å; S478-I482 VanDerWaalsContact O-CG1 3.29Å; S478-I482 WeakPolarHBondContact O-CG1 3.39Å; S478-I482 PolarHBondContact O-N 3.13Å
479L57.8Low58Low2 Ų251 Ų511%0.0126%0.261CS..Hα-helixtrans-65.7-34.9176.9-70.6167000112.2L327 L330 I358 P474 T475 I476 E477 S483L327-L479 HydrophobicContact CD2-CD2 4.49Å; L330-L479 HydrophobicContact CD1-CB 3.84Å; L330-L479 HydrophobicContact CD1-CD1 3.73Å; L330-L479 HydrophobicContact CD1-CD2 3.87Å; L330-L479 HydrophobicContact CD1-CG 4.01Å; L330-L479 HydrophobicContact CD2-CB 4.06Å; L330-L479 HydrophobicContact CD2-CD2 3.96Å; I358-L479 HydrophobicContact CD1-CD2 4.32Å; P474-L479 HydrophobicContact CB-CD2 4.08Å; P474-L479 HydrophobicContact CB-CG 4.02Å; P474-L479 HydrophobicContact CG-CD1 4.17Å; P474-L479 HydrophobicContact CG-CD2 3.64Å; P474-L479 HydrophobicContact CG-CG 3.94Å; T475-L479 WeakPolarHBondContact O-CB 3.37Å; T475-L479 VanDerWaalsContact O-CG 3.27Å; T475-L479 WeakPolarHBondContact O-CG 3.02Å; T475-L479 PolarHBondContact O-N 3.09Å; I476-L479 PolarHBondContact O-N 3.18Å; E477-L479 VanDerWaalsContact C-N 3.31Å; E477-L479 PolarHBondContact O-N 3.44Å; L479-S483 PolarHBondContact O-N 3.38Å
480R57Low56.8Low79 Ų7954.5 Ų54.530%0.29828%0.277SS..Hα-helixtrans-62.7-50.8170.6-170.8-173.7-167.7132.29.6111.6Y334 L439 I476 E477 S478 I482 S483 D484Y334-R480 HydrophobicContact CE1-CB 4.35Å; Y334-R480 HydrophobicContact CE1-CG 4.23Å; L439-R480 VanDerWaalsContact CD2-NH1 3.33Å; I476-R480 WeakPolarHBondContact O-CB 3.45Å; I476-R480 PolarHBondContact O-N 3.32Å; E477-R480 WeakPolarHBondContact O-CB 3.49Å; E477-R480 PolarHBondContact O-N 3.16Å; S478-R480 VanDerWaalsContact C-N 3.33Å; S478-R480 PolarHBondContact O-N 2.88Å; R480-I482 VanDerWaalsContact C-N 3.29Å; R480-I482 PolarHBondContact O-N 3.25Å; R480-S483 CarbonylContact O-C 3.57Å; R480-S483 WeakPolarHBondContact O-CA 3.25Å; R480-S483 WeakPolarHBondContact O-CB 3.15Å; R480-S483 PolarHBondContact O-N 3.13Å; R480-D484 IonicContact NE-OD2 3.66Å; R480-D484 PolarHBondContact O-N 3.22Å
481M57.1Low55.6Low97 Ų9755.3 Ų55.348%0.47828%0.283SS..Hα-helixtrans-60.8-37178.3-71.6-166-69.600112.8E477 S478 N485E477-M481 PolarHBondContact O-N 3.44Å; S478-M481 PolarHBondContact O-N 2.81Å; M481-N485 WeakPolarHBondContact O-CB 3.41Å; M481-N485 PolarHBondContact O-N 3.37Å; M481-N485 PolarHBondContact O-ND2 3.29Å
482I58.1Low54.2Low55 Ų5562.2 Ų62.228%0.28231%0.313SS..Hα-helixtrans-61.8-45.7172.7-69.1162.7000110.5L327 S478 R480 F486L327-I482 HydrophobicContact CD1-CG2 4.09Å; S478-I482 WeakPolarHBondContact O-CD1 3.49Å; S478-I482 VanDerWaalsContact O-CG1 3.29Å; S478-I482 WeakPolarHBondContact O-CG1 3.39Å; S478-I482 PolarHBondContact O-N 3.13Å; R480-I482 VanDerWaalsContact C-N 3.29Å; R480-I482 PolarHBondContact O-N 3.25Å; I482-F486 PolarHBondContact O-N 3.32Å
483S56Low52.9Low6 Ų663.4 Ų63.44%0.04232%0.322CS..Hα-helixtrans-63.1-47.3176.3176.60000113Y334 L479 R480 N485 F486 V487Y334-S483 WeakPolarHBondContact CB-OG 3.47Å; L479-S483 PolarHBondContact O-N 3.38Å; R480-S483 CarbonylContact O-C 3.57Å; R480-S483 WeakPolarHBondContact O-CA 3.25Å; R480-S483 WeakPolarHBondContact O-CB 3.15Å; R480-S483 PolarHBondContact O-N 3.13Å; S483-N485 VanDerWaalsContact C-N 3.31Å; S483-N485 PolarHBondContact O-N 2.91Å; S483-F486 CarbonylContact O-C 3.48Å; S483-F486 WeakPolarHBondContact O-CA 3.41Å; S483-F486 VanDerWaalsContact O-CB 3.32Å; S483-F486 WeakPolarHBondContact O-CB 3.48Å; S483-F486 PolarHBondContact O-N 3.09Å; S483-V487 WeakPolarHBondContact O-CG2 3.36Å; S483-V487 PolarHBondContact O-N 3.13Å
484D56.1Low51.6Low48 Ų4869 Ų6926%0.25735%0.349SS..Hα-helixtrans-68.8-31.7-177.6-71-27.3000111.5N338 R480 V487 N488N338-D484 PolarHBondContact ND2-OD1 2.03Å; R480-D484 IonicContact NE-OD2 3.66Å; R480-D484 PolarHBondContact O-N 3.22Å; D484-V487 PolarHBondContact O-N 3.48Å; D484-N488 WeakPolarHBondContact O-CB 3.25Å; D484-N488 PolarHBondContact O-N 3.39Å; D484-N488 PolarHBondContact O-ND2 3.41Å
485N57.7Low50.5Low102 Ų10274.7 Ų74.755%0.54538%0.378SS..Hα-helixtrans-64.4-40.1167-80.2-28.9000112.4M481 S483 N488 L489M481-N485 WeakPolarHBondContact O-CB 3.41Å; M481-N485 PolarHBondContact O-N 3.37Å; M481-N485 PolarHBondContact O-ND2 3.29Å; S483-N485 VanDerWaalsContact C-N 3.31Å; S483-N485 PolarHBondContact O-N 2.91Å; N485-N488 PolarHBondContact O-N 3.45Å; N485-L489 WeakPolarHBondContact O-CG 3.48Å; N485-L489 PolarHBondContact O-N 3.48Å
486F51.1Low49.5Very low72 Ų7278.4 Ų78.432%0.31639%0.391SS..Hα-helixtrans-63.9-41.2175.7-160.7-95.5000112I482 S483 L489 Q490 Y531I482-F486 PolarHBondContact O-N 3.32Å; S483-F486 CarbonylContact O-C 3.48Å; S483-F486 WeakPolarHBondContact O-CA 3.41Å; S483-F486 VanDerWaalsContact O-CB 3.32Å; S483-F486 WeakPolarHBondContact O-CB 3.48Å; S483-F486 PolarHBondContact O-N 3.09Å; F486-L489 PolarHBondContact O-N 2.93Å; F486-Q490 HydrophobicContact CD1-CG 4.24Å; F486-Q490 HydrophobicContact CE1-CG 4.16Å; F486-Q490 WeakPolarHBondContact O-CG 3.42Å; F486-Q490 PolarHBondContact O-N 2.72Å; F486-Y531 VanDerWaalsContact CD2-OH 3.27Å; F486-Y531 WeakPolarHBondContact CD2-OH 3.27Å
487V51.5Low48.5Very low40 Ų4079.6 Ų79.624%0.24240%0.395CS..Hα-helixtrans-65.9-39.3173.8174.20000111.4S483 D484 L489 Q490 T491S483-V487 WeakPolarHBondContact O-CG2 3.36Å; S483-V487 PolarHBondContact O-N 3.13Å; D484-V487 PolarHBondContact O-N 3.48Å; V487-L489 VanDerWaalsContact C-N 3.34Å; V487-L489 PolarHBondContact O-N 2.92Å; V487-Q490 PolarHBondContact O-N 2.65Å; V487-T491 HydrophobicContact CG1-CG2 4.37Å; V487-T491 WeakPolarHBondContact O-CB 3.25Å; V487-T491 WeakPolarHBondContact O-CG2 3.49Å; V487-T491 PolarHBondContact O-N 2.82Å; V487-T491 PolarHBondContact O-OG1 2.73Å
488N48.3Very low47.5Very low90 Ų9085.8 Ų85.848%0.48141%0.414SS..Hα-helixtrans-67.1-32.3174.9-79.8-51.3000112.9D484 N485 T491 K492D484-N488 WeakPolarHBondContact O-CB 3.25Å; D484-N488 PolarHBondContact O-N 3.39Å; D484-N488 PolarHBondContact O-ND2 3.41Å; N485-N488 PolarHBondContact O-N 3.45Å; N488-T491 WeakPolarHBondContact CA-OG1 3.49Å; N488-T491 PolarHBondContact O-OG1 3.22Å; N488-K492 WeakPolarHBondContact O-CB 3.28Å; N488-K492 WeakPolarHBondContact O-CG 3.47Å; N488-K492 PolarHBondContact O-N 3.32Å; N488-K492 VanDerWaalsContact O-N 3.13Å
489L42.3Very low46.2Very low114 Ų11491.7 Ų91.760%0.59744%0.443SS*.Hα-helixtrans-69.7-48.9171.2-79.2161.4000111.3N485 F486 V487 T491 K492 V493N485-L489 WeakPolarHBondContact O-CG 3.48Å; N485-L489 PolarHBondContact O-N 3.48Å; F486-L489 PolarHBondContact O-N 2.93Å; V487-L489 VanDerWaalsContact C-N 3.34Å; V487-L489 PolarHBondContact O-N 2.92Å; L489-T491 VanDerWaalsContact C-N 3.34Å; L489-T491 PolarHBondContact O-N 2.94Å; L489-K492 PolarHBondContact O-N 3.4Å; L489-V493 WeakPolarHBondContact O-CG2 3.48Å; L489-V493 PolarHBondContact O-N 2.77Å
490Q41.5Very low44.9Very low80 Ų8095.1 Ų95.137%0.37447%0.467SS..Hα-helixtrans-61.9-38.8178.2-72.3-169.1-39.700112.7F486 V487 V493 Q494F486-Q490 HydrophobicContact CD1-CG 4.24Å; F486-Q490 HydrophobicContact CE1-CG 4.16Å; F486-Q490 WeakPolarHBondContact O-CG 3.42Å; F486-Q490 PolarHBondContact O-N 2.72Å; V487-Q490 PolarHBondContact O-N 2.65Å; Q490-V493 PolarHBondContact O-N 3.42Å; Q490-Q494 WeakPolarHBondContact O-CB 3.49Å; Q490-Q494 WeakPolarHBondContact O-CG 3.46Å; Q490-Q494 PolarHBondContact O-N 3.33Å
491T40.3Very low43.9Very low51 Ų5196.4 Ų96.431%0.31349%0.488SS..Hα-helixtrans-74-30.9177.151.40000113.2V487 N488 L489 Q494 N495V487-T491 HydrophobicContact CG1-CG2 4.37Å; V487-T491 WeakPolarHBondContact O-CB 3.25Å; V487-T491 WeakPolarHBondContact O-CG2 3.49Å; V487-T491 PolarHBondContact O-N 2.82Å; V487-T491 PolarHBondContact O-OG1 2.73Å; N488-T491 WeakPolarHBondContact CA-OG1 3.49Å; N488-T491 PolarHBondContact O-OG1 3.22Å; L489-T491 VanDerWaalsContact C-N 3.34Å; L489-T491 PolarHBondContact O-N 2.94Å; T491-Q494 PolarHBondContact O-N 2.65Å; T491-N495 WeakPolarHBondContact O-CB 3.42Å; T491-N495 PolarHBondContact O-N 2.84Å; T491-N495 PolarHBondContact O-ND2 3.35Å
492K36.7Very low42.9Very low148 Ų14896.9 Ų96.964%0.64349%0.493SS*.Hα-helixtrans-62.9-43.2167.6-81.9177.2177.2177.40111.7N488 L489 N495 H496N488-K492 WeakPolarHBondContact O-CB 3.28Å; N488-K492 WeakPolarHBondContact O-CG 3.47Å; N488-K492 PolarHBondContact O-N 3.32Å; N488-K492 VanDerWaalsContact O-N 3.13Å; L489-K492 PolarHBondContact O-N 3.4Å; K492-N495 PolarHBondContact O-N 2.97Å; K492-H496 PolarHBondContact O-CD2 2.76Å; K492-H496 PolarHBondContact O-N 2.8Å
493V39.9Very low42Very low52 Ų5297.7 Ų97.732%0.31550%0.497SS..Hα-helixtrans-63.2-46.9174.9172.60000111.1L489 Q490 N495 H496 H497 I507L489-V493 WeakPolarHBondContact O-CG2 3.48Å; L489-V493 PolarHBondContact O-N 2.77Å; Q490-V493 PolarHBondContact O-N 3.42Å; V493-N495 PolarHBondContact O-N 2.97Å; V493-H496 PolarHBondContact O-N 2.78Å; V493-H496 VanDerWaalsContact O-N 3.1Å; V493-H497 WeakPolarHBondContact CG1-NE2 3.13Å; V493-H497 PolarHBondContact O-N 2.79Å; V493-I507 HydrophobicContact CG2-CD1 4.46Å
494Q37.5Very low40.9Very low133 Ų133102 Ų10262%0.62152%0.519SS*.Hα-helixtrans-63.8-34.9178.5-74.9180-10.800113.8Q490 T491 H496 H497Q490-Q494 WeakPolarHBondContact O-CB 3.49Å; Q490-Q494 WeakPolarHBondContact O-CG 3.46Å; Q490-Q494 PolarHBondContact O-N 3.33Å; T491-Q494 PolarHBondContact O-N 2.65Å; Q494-H496 VanDerWaalsContact C-N 3.28Å; Q494-H496 PolarHBondContact O-N 2.8Å; Q494-H497 PolarHBondContact O-N 3.26Å
495N38Very low39.9Very low137 Ų137106.9 Ų106.973%0.73354%0.541SS*.Hα-helixtrans-72.4-19.6175.1-76.2-44.4000113.4T491 K492 V493T491-N495 WeakPolarHBondContact O-CB 3.42Å; T491-N495 PolarHBondContact O-N 2.84Å; T491-N495 PolarHBondContact O-ND2 3.35Å; K492-N495 PolarHBondContact O-N 2.97Å; V493-N495 PolarHBondContact O-N 2.97Å
496H38.4Very low38.6Very low137 Ų137106.7 Ų106.763%0.63454%0.54SS*.Hα-helixtrans-86.6-16.4170.9-85-73.5000114.1K492 V493 Q494 R498 L499K492-H496 PolarHBondContact O-CD2 2.76Å; K492-H496 PolarHBondContact O-N 2.8Å; V493-H496 PolarHBondContact O-N 2.78Å; V493-H496 VanDerWaalsContact O-N 3.1Å; Q494-H496 VanDerWaalsContact C-N 3.28Å; Q494-H496 PolarHBondContact O-N 2.8Å; H496-R498 PolarHBondContact O-N 3.37Å; H496-L499 PolarHBondContact O-N 2.84Å
497H36.8Very low37.8Very low104 Ų104107.3 Ų107.348%0.48155%0.545SS..THydrogen-bonded Turntrans-68.928.4179.3-77.5-40.3000115.9V493 Q494V493-H497 WeakPolarHBondContact CG1-NE2 3.13Å; V493-H497 PolarHBondContact O-N 2.79Å; Q494-H497 PolarHBondContact O-N 3.26Å
498R36.2Very low37.1Very low237 Ų237110.4 Ų110.489%0.89456%0.559SS**THydrogen-bonded Turntrans-106.1-5.8163.9-82.1-171.8171.5-176.5-1.7114.4H496H496-R498 PolarHBondContact O-N 3.37Å
499L31.4Very low36.3Very low141 Ų141109.4 Ų109.474%0.73855%0.554SS**SBendtrans-129.1131.8169.1-100.484.1000111.8H496H496-L499 PolarHBondContact O-N 2.84Å
500S30.3Very low35.8Very low74 Ų74108.1 Ų108.152%0.51755%0.551SS.*  trans62.5147.6172.172.60000118.3I503S500-I503 WeakPolarHBondContact OG-CD1 3.04Å
501S36.2Very low35.6Very low107 Ų107109.1 Ų109.175%0.74856%0.559SS**SBendtrans-85-10.5176.7350000113.9
502D37.7Very low35.2Very low107 Ų107112.4 Ų112.457%0.57257%0.569SS**  trans-107.110-150.5-42.9-34.5000113.5N506D502-N506 PolarHBondContact O-ND2 2.84Å
503I37.9Very low34.9Very low71 Ų71109.2 Ų109.236%0.36456%0.562SS.*SBendtrans-90.2-25.6-171.7-65.5175.7000112.7S500 E505 N506 I507S500-I503 WeakPolarHBondContact OG-CD1 3.04Å; I503-E505 VanDerWaalsContact C-N 3.33Å; I503-E505 PolarHBondContact O-N 3Å; I503-N506 PolarHBondContact O-N 3.35Å; I503-N506 VanDerWaalsContact O-N 3.12Å; I503-I507 HydrophobicContact CG2-CD1 4.06Å; I503-I507 HydrophobicContact CG2-CG1 4.35Å
504N33.1Very low34.5Very low96 Ų96116.9 Ų116.951%0.51359%0.585SS.*Hα-helixtrans-66.4-26-173.7-884000114.7
505E34.7Very low34.5Very low151 Ų151113.1 Ų113.171%0.70657%0.569SS**Hα-helixtrans-78.7-32.9173.4-63.3-162.3133.400112.4I503 I508 N509I503-E505 VanDerWaalsContact C-N 3.33Å; I503-E505 PolarHBondContact O-N 3Å; E505-I508 PolarHBondContact O-N 2.9Å; E505-N509 VanDerWaalsContact O-CG 3.32Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 VanDerWaalsContact O-N 3.09Å; E505-N509 PolarHBondContact O-ND2 3.46Å
506N31.1Very low34.2Very low99 Ų99111.2 Ų111.253%0.52956%0.562SS.*Hα-helixtrans-72.6-35.4-169.6-77.3-61.8000113.1D502 I503 N509 T510D502-N506 PolarHBondContact O-ND2 2.84Å; I503-N506 PolarHBondContact O-N 3.35Å; I503-N506 VanDerWaalsContact O-N 3.12Å; N506-N509 PolarHBondContact O-N 2.79Å; N506-T510 PolarHBondContact O-N 3.05Å; N506-T510 PolarHBondContact O-OG1 3.28Å
507I34.6Very low33.9Very low85 Ų85110.9 Ų110.944%0.43657%0.565SS.*Hα-helixtrans-67.9-38.1176.4-59.8177.1000111.2V493 I503 N509 T510V493-I507 HydrophobicContact CG2-CD1 4.46Å; I503-I507 HydrophobicContact CG2-CD1 4.06Å; I503-I507 HydrophobicContact CG2-CG1 4.35Å; I507-N509 VanDerWaalsContact C-N 3.29Å; I507-N509 PolarHBondContact O-N 3.04Å; I507-T510 WeakPolarHBondContact CA-OG1 3.33Å; I507-T510 PolarHBondContact O-N 3.26Å; I507-T510 PolarHBondContact O-OG1 2.91Å
508I35.6Very low33.8Very low104 Ų104110.5 Ų110.553%0.53357%0.567SS.*Hα-helixtrans-68.5-31.5176.3-63.2174.8000111E505 K512E505-I508 PolarHBondContact O-N 2.9Å; I508-K512 HydrophobicContact CG2-CD 4.34Å; I508-K512 WeakPolarHBondContact O-CG 3.46Å
509N31.2Very low33.8Very low70 Ų70110.5 Ų110.537%0.37457%0.567SS.*Hα-helixtrans-82.2-24.9179-71.2-24.7000113.9E505 N506 I507 T513E505-N509 VanDerWaalsContact O-CG 3.32Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 VanDerWaalsContact O-N 3.09Å; E505-N509 PolarHBondContact O-ND2 3.46Å; N506-N509 PolarHBondContact O-N 2.79Å; I507-N509 VanDerWaalsContact C-N 3.29Å; I507-N509 PolarHBondContact O-N 3.04Å; N509-T513 WeakPolarHBondContact O-CB 3.35Å; N509-T513 WeakPolarHBondContact O-CG2 3.42Å; N509-T513 PolarHBondContact O-N 3.23Å; N509-T513 PolarHBondContact O-OG1 3.5Å
510T33.6Very low34.2Very low86 Ų86107.5 Ų107.553%0.52856%0.558SS.*Hα-helixtrans-68.2-37.2176.237.90000114N506 I507 T513 R514N506-T510 PolarHBondContact O-N 3.05Å; N506-T510 PolarHBondContact O-OG1 3.28Å; I507-T510 WeakPolarHBondContact CA-OG1 3.33Å; I507-T510 PolarHBondContact O-N 3.26Å; I507-T510 PolarHBondContact O-OG1 2.91Å; T510-T513 PolarHBondContact O-OG1 3Å; T510-R514 PolarHBondContact O-N 3.12Å
511D37.3Very low34.6Very low102 Ų102106.6 Ų106.655%0.54555%0.549SS..Hα-helixtrans-76.7-41.1174.2-75.3-35.8000111.4T513 R514 I515D511-T513 VanDerWaalsContact C-N 3.32Å; D511-T513 PolarHBondContact O-N 3.08Å; D511-R514 PolarHBondContact O-N 3.14Å; D511-I515 WeakPolarHBondContact O-CG1 3.47Å; D511-I515 PolarHBondContact O-N 3.27Å
512K31.3Very low34.8Very low119 Ų119103.3 Ų103.352%0.51753%0.532SS..Hα-helixtrans-53.3-48.5172.8-76.3176.6-179.6177.90111.8I508 R514 I515 T516I508-K512 HydrophobicContact CG2-CD 4.34Å; I508-K512 WeakPolarHBondContact O-CG 3.46Å; K512-R514 PolarHBondContact O-N 3.23Å; K512-I515 PolarHBondContact O-N 3.46Å; K512-T516 WeakPolarHBondContact O-CG2 3.3Å; K512-T516 PolarHBondContact O-N 2.95Å; K512-T516 PolarHBondContact O-OG1 3.46Å; K512-T516 VanDerWaalsContact O-OG1 3.08Å
513T30.6Very low35Very low81 Ų81106.6 Ų106.650%0.49755%0.55SS..Hα-helixtrans-69.7-18.9-179.348.50000113.8N509 T510 D511 N517N509-T513 WeakPolarHBondContact O-CB 3.35Å; N509-T513 WeakPolarHBondContact O-CG2 3.42Å; N509-T513 PolarHBondContact O-N 3.23Å; N509-T513 PolarHBondContact O-OG1 3.5Å; T510-T513 PolarHBondContact O-OG1 3Å; D511-T513 VanDerWaalsContact C-N 3.32Å; D511-T513 PolarHBondContact O-N 3.08Å; T513-N517 PolarHBondContact O-ND2 3.5Å
514R31.6Very low35.4Very low213 Ų213105.9 Ų105.980%0.80454%0.543SS*.Hα-helixtrans-79.9-38.4170.7-139174.1-169.3-177.51111.8T510 D511 K512T510-R514 PolarHBondContact O-N 3.12Å; D511-R514 PolarHBondContact O-N 3.14Å; K512-R514 PolarHBondContact O-N 3.23Å
515I37.1Very low36.5Very low54 Ų54110.1 Ų110.128%0.27756%0.559SS.*Hα-helixtrans-76.7-41.6-178.7-64.1164.9000112D511 K512 N517 D518D511-I515 WeakPolarHBondContact O-CG1 3.47Å; D511-I515 PolarHBondContact O-N 3.27Å; K512-I515 PolarHBondContact O-N 3.46Å; I515-N517 PolarHBondContact O-N 2.82Å; I515-N517 VanDerWaalsContact O-N 3.12Å; I515-D518 PolarHBondContact O-N 2.93Å
516T32.3Very low37.7Very low97 Ų97106.3 Ų106.360%0.59554%0.543SS*.THydrogen-bonded Turntrans-70.5-7.4-177.458.10000114.9K512K512-T516 WeakPolarHBondContact O-CG2 3.3Å; K512-T516 PolarHBondContact O-N 2.95Å; K512-T516 PolarHBondContact O-OG1 3.46Å; K512-T516 VanDerWaalsContact O-OG1 3.08Å
517N32.1Very low39.5Very low131 Ų131103.4 Ų103.470%0.70153%0.529SS*.THydrogen-bonded Turntrans-82.6-14.5175-85.9-57.8000112.8T513 I515 R519T513-N517 PolarHBondContact O-ND2 3.5Å; I515-N517 PolarHBondContact O-N 2.82Å; I515-N517 VanDerWaalsContact O-N 3.12Å; N517-R519 PolarHBondContact O-N 3.21Å
518D34.3Very low40.6Very low95 Ų95105.1 Ų105.151%0.50855%0.546SS..SBendtrans-82108.4169-160.8-45.1000110.1I515 S520 T521I515-D518 PolarHBondContact O-N 2.93Å; D518-S520 VanDerWaalsContact CG-OG 3.28Å; D518-S520 PolarHBondContact O-N 2.86Å; D518-S520 VanDerWaalsContact OD1-CB 3.27Å; D518-S520 WeakPolarHBondContact OD1-CB 3.24Å; D518-S520 PolarHBondContact OD1-N 2.97Å; D518-S520 VanDerWaalsContact OD1-N 3.13Å; D518-S520 PolarHBondContact OD1-OG 2.79Å; D518-T521 PolarHBondContact O-N 3.26Å; D518-T521 PolarHBondContact O-OG1 2.86Å
519R35Very low41.7Very low238 Ų238103.6 Ų103.690%0.89856%0.556SS**THydrogen-bonded Turntrans-67.15.6-176.4-79.3178.7165.4167.4-5.1114.5N517N517-R519 PolarHBondContact O-N 3.21Å
520S40.1Very low43.6Very low78 Ų78102.3 Ų102.355%0.54555%0.546SS..THydrogen-bonded Turntrans-80.7-30.7173.3610000114.2D518 G522D518-S520 VanDerWaalsContact CG-OG 3.28Å; D518-S520 PolarHBondContact O-N 2.86Å; D518-S520 VanDerWaalsContact OD1-CB 3.27Å; D518-S520 WeakPolarHBondContact OD1-CB 3.24Å; D518-S520 PolarHBondContact OD1-N 2.97Å; D518-S520 VanDerWaalsContact OD1-N 3.13Å; D518-S520 PolarHBondContact OD1-OG 2.79Å; S520-G522 PolarHBondContact O-N 2.61Å
521T39.4Very low45.2Very low55 Ų55102 Ų10234%0.33754%0.535SS..  trans-83.967.2-171.264.20000113.4D518 N523D518-T521 PolarHBondContact O-N 3.26Å; D518-T521 PolarHBondContact O-OG1 2.86Å; T521-N523 PolarHBondContact O-N 3.42Å
522G39.3Very low46.5Very low38 Ų3899.4 Ų99.439%0.39252%0.523SS..  trans-68.3117.6179.900000114S520 Y524S520-G522 PolarHBondContact O-N 2.61Å; G522-Y524 PolarHBondContact O-N 3.13Å; G522-Y524 VanDerWaalsContact O-N 3.15Å
523N43Very low47.9Very low176 Ų17694.1 Ų94.194%0.94150%0.501SS*.SBendtrans41.147.3166.5-65.518.4000116.4T521T521-N523 PolarHBondContact O-N 3.42Å
524Y46.7Very low49.1Very low56 Ų5693.4 Ų93.422%0.2249%0.494CS..  trans-109.5119.9171.3-169-92000110.7I322 H363 G522 I526I322-Y524 HydrophobicContact CG2-CD1 4.31Å; I322-Y524 HydrophobicContact CG2-CE1 4.06Å; H363-Y524 AromaticContact CE1-CZ 3.99Å; H363-Y524 PolarHBondContact CE1-OH 2.79Å; H363-Y524 AromaticContact ND1-CE2 3.85Å; H363-Y524 PolarHBondContact NE2-OH 3.33Å; G522-Y524 PolarHBondContact O-N 3.13Å; G522-Y524 VanDerWaalsContact O-N 3.15Å; Y524-I526 PolarHBondContact O-N 2.93Å
525E56.1Low50.1Low184 Ų18489 Ų8986%0.8648%0.482SS*.  trans-78.4110.1171.4-65.8-173.1150.300109.2T527E525-T527 PolarHBondContact O-N 2.89Å
526I60Low50.6Low72 Ų7293.1 Ų93.137%0.36951%0.505SS..PPolyproline II helixtrans-60.6129.8175.5-65.8167.2000109.5I322 Y524 P528 T532I322-I526 HydrophobicContact CD1-CG1 4.34Å; Y524-I526 PolarHBondContact O-N 2.93Å; I526-P528 VanDerWaalsContact O-CD 3.29Å; I526-P528 WeakPolarHBondContact O-CD 3.36Å; I526-T532 HydrophobicContact CG1-CG2 4.38Å; I526-T532 HydrophobicContact CG2-CG2 3.5Å; I526-T532 VanDerWaalsContact CG2-CG2 3.5Å
527T67.7Low51.3Low37 Ų3792.6 Ų92.623%0.22750%0.498CS..PPolyproline II helixtrans-65119.9-179.2-50.40000111E324 R361 E525 G529 W530E324-T527 VanDerWaalsContact CD-OG1 3.26Å; E324-T527 WeakPolarHBondContact OE1-CB 3.47Å; E324-T527 PolarHBondContact OE1-N 3.03Å; E324-T527 PolarHBondContact OE1-OG1 3.05Å; E324-T527 PolarHBondContact OE2-OG1 3.21Å; R361-T527 PolarHBondContact NH1-OG1 2.87Å; E525-T527 PolarHBondContact O-N 2.89Å; T527-G529 PolarHBondContact O-N 2.92Å; T527-W530 HydrophobicContact CG2-CD2 4.42Å; T527-W530 HydrophobicContact CG2-CG 3.98Å; T527-W530 PolarHBondContact O-N 3.32Å
528P58Low51.6Low122 Ų12291.1 Ų91.179%0.79250%0.496SS*.THydrogen-bonded Turntrans-60.1134.1-178.8-25.435.5000112.7I526 W530I526-P528 VanDerWaalsContact O-CD 3.29Å; I526-P528 WeakPolarHBondContact O-CD 3.36Å; P528-W530 VanDerWaalsContact C-N 3.33Å
529G58.8Low52.2Low72 Ų7295.1 Ų95.174%0.74251%0.512SS*.THydrogen-bonded Turntrans84.4-3.9-179.100000115.5T527T527-G529 PolarHBondContact O-N 2.92Å
530W70.4Confident52.9Low43 Ų4386.7 Ų86.716%0.16348%0.484CS..PPolyproline II helixtrans-92.4140.6174.3-67.655.1000110.3E324 D326 T359 R361 T527 P528E324-W530 HydrophobicContact CB-CB 4.26Å; E324-W530 HydrophobicContact CB-CD2 4.35Å; E324-W530 HydrophobicContact CB-CE3 3.63Å; E324-W530 HydrophobicContact CB-CZ3 4.41Å; D326-W530 HydrophobicContact CB-CD2 3.78Å; D326-W530 HydrophobicContact CB-CE3 3.76Å; D326-W530 HydrophobicContact CB-CH2 3.76Å; D326-W530 HydrophobicContact CB-CZ2 3.75Å; D326-W530 HydrophobicContact CB-CZ3 3.74Å; T359-W530 HydrophobicContact CG2-CH2 3.59Å; T359-W530 HydrophobicContact CG2-CZ3 4.04Å; R361-W530 HydrophobicContact CG-CH2 4.19Å; R361-W530 HydrophobicContact CG-CZ3 3.73Å; R361-W530 VanDerWaalsContact CZ-CZ2 3.43Å; R361-W530 VanDerWaalsContact NE-CH2 3.3Å; T527-W530 HydrophobicContact CG2-CD2 4.42Å; T527-W530 HydrophobicContact CG2-CG 3.98Å; T527-W530 PolarHBondContact O-N 3.32Å; P528-W530 VanDerWaalsContact C-N 3.33Å
531Y68.3Low53.1Low79 Ų7989.8 Ų89.831%0.3149%0.492SS..EExtended strand (participates in β ladder)trans-74.6126.2169.8-69-97.1000108.4E324 V325 L327 F486E324-Y531 CarbonylContact C-O 3.48Å; E324-Y531 WeakPolarHBondContact CA-O 3.32Å; V325-Y531 PolarHBondContact N-O 3.39Å; V325-Y531 PolarHBondContact O-N 3.35Å; L327-Y531 HydrophobicContact CB-CD2 4.44Å; L327-Y531 HydrophobicContact CB-CE2 4.15Å; L327-Y531 HydrophobicContact CD1-CD2 3.86Å; L327-Y531 HydrophobicContact CD1-CE2 3.69Å; L327-Y531 HydrophobicContact CG-CD2 3.97Å; L327-Y531 HydrophobicContact CG-CE2 4.04Å; F486-Y531 VanDerWaalsContact CD2-OH 3.27Å; F486-Y531 WeakPolarHBondContact CD2-OH 3.27Å
532T64Low53.6Low48 Ų4888.8 Ų88.829%0.29448%0.484SS..EExtended strand (participates in β ladder)trans-96.514417254.80000109.5I322 I323 I526I322-T532 HydrophobicContact CD1-CG2 3.64Å; I322-T532 HydrophobicContact CG1-CG2 4.32Å; I323-T532 WeakPolarHBondContact O-CA 3.4Å; I526-T532 HydrophobicContact CG1-CG2 4.38Å; I526-T532 HydrophobicContact CG2-CG2 3.5Å; I526-T532 VanDerWaalsContact CG2-CG2 3.5Å
533V60.6Low54.1Low7 Ų790 Ų904%0.04248%0.479CS..EExtended strand (participates in β ladder)trans-128.6122.3170.5-164.30000109.5I323 N540 L542 F543I323-V533 PolarHBondContact N-O 3.33Å; I323-V533 PolarHBondContact O-N 2.92Å; V533-N540 HydrophobicContact CG1-CB 3.99Å; V533-L542 HydrophobicContact CG2-CD1 4.17Å; V533-F543 HydrophobicContact CB-CD2 4.38Å; V533-F543 HydrophobicContact CB-CE2 3.74Å; V533-F543 HydrophobicContact CG1-CD2 3.61Å; V533-F543 HydrophobicContact CG1-CE2 3.48Å; V533-F543 VanDerWaalsContact CG1-CE2 3.48Å; V533-F543 HydrophobicContact CG2-CE2 4.12Å
534L57Low54.4Low67 Ų6788.2 Ų88.235%0.35147%0.465SS..  trans-92.1146.4176.2-60.2175.6000109.4I322 D536 D537I322-L534 HydrophobicContact CG1-CD2 4.49Å; L534-D536 PolarHBondContact O-N 2.88Å; L534-D537 PolarHBondContact O-N 3.05Å
535Q51Low54.3Low119 Ų11992.1 Ų92.156%0.55648%0.483SS*.THydrogen-bonded Turntrans-66.6-22.6-169.8-168.7169.9-2.100113.9L320L320-Q535 HydrophobicContact CD2-CB 4.18Å; L320-Q535 HydrophobicContact CD2-CG 4.34Å
536D48.7Very low54.1Low142 Ų14289 Ų8976%0.75947%0.468SS*.THydrogen-bonded Turntrans-97.4-2.4-174.5-66.8-65000114.5L534 P538L534-D536 PolarHBondContact O-N 2.88Å; D536-P538 WeakPolarHBondContact O-CD 3.19Å
537D47.6Very low54Low86 Ų8691.1 Ų91.146%0.4648%0.475SS..  trans-79.2108.4-171.3-155.1-2.9000111.5L534 E539 N540L534-D537 PolarHBondContact O-N 3.05Å; D537-E539 PolarHBondContact O-N 3.46Å; D537-N540 WeakPolarHBondContact CB-ND2 3.42Å; D537-N540 PolarHBondContact OD2-ND2 3.38Å
538P38.6Very low53.7Low100 Ų10091.9 Ų91.965%0.64948%0.482SS*.THydrogen-bonded Turntrans-80.3-9.6-15831.7-36.1000115.3D536D536-P538 WeakPolarHBondContact O-CD 3.19Å
539E45.3Very low54.3Low179 Ų17990.2 Ų90.284%0.83647%0.469SS*.THydrogen-bonded Turntrans-106.7-4.7-175.6-59.1-168.1159.700113.6D537 M541D537-E539 PolarHBondContact O-N 3.46Å; E539-M541 PolarHBondContact O-N 2.6Å
540N50.8Low55.1Low61 Ų6193.3 Ų93.333%0.32647%0.468SS..  trans-77.4108.6-175.9-81.5-42.5000113.1V533 D537 L542 F543V533-N540 HydrophobicContact CG1-CB 3.99Å; D537-N540 WeakPolarHBondContact CB-ND2 3.42Å; D537-N540 PolarHBondContact OD2-ND2 3.38Å; N540-L542 PolarHBondContact O-N 2.81Å; N540-F543 PolarHBondContact O-N 3.02Å
541M43.7Very low55.3Low143 Ų14396.7 Ų96.770%0.70449%0.486SS*.THydrogen-bonded Turntrans-53.7-12-176.1-64.4-175.272.500117E539E539-M541 PolarHBondContact O-N 2.6Å
542L49.8Very low55.6Low34 Ų3498.2 Ų98.218%0.17850%0.497CS..THydrogen-bonded Turntrans-83.1-14.7-175.1-66.9170.5000113.8F471 P474 V533 N540F471-L542 HydrophobicContact CE2-CD1 4.29Å; F471-L542 HydrophobicContact CE2-CD2 4.06Å; F471-L542 HydrophobicContact CZ-CD2 4.31Å; P474-L542 HydrophobicContact CB-CD2 4.19Å; P474-L542 HydrophobicContact CG-CD2 4.26Å; V533-L542 HydrophobicContact CG2-CD1 4.17Å; N540-L542 PolarHBondContact O-N 2.81Å
543F50.4Low56.6Low64 Ų64100.1 Ų100.128%0.28151%0.505SS..BIsolated β-bridgetrans-126.4133.9-174.2-65-78.9000113I323 I469 F471 V533 N540I323-F543 HydrophobicContact CD1-CE1 3.62Å; I323-F543 HydrophobicContact CD1-CE2 4.31Å; I323-F543 HydrophobicContact CD1-CZ 3.38Å; I323-F543 HydrophobicContact CG2-CZ 4.32Å; I469-F543 HydrophobicContact CG2-CD1 4.5Å; I469-F543 HydrophobicContact CG2-CE1 3.75Å; F471-F543 HydrophobicContact CB-CE1 4.48Å; F471-F543 HydrophobicContact CD2-CZ 4.16Å; V533-F543 HydrophobicContact CB-CD2 4.38Å; V533-F543 HydrophobicContact CB-CE2 3.74Å; V533-F543 HydrophobicContact CG1-CD2 3.61Å; V533-F543 HydrophobicContact CG1-CE2 3.48Å; V533-F543 VanDerWaalsContact CG1-CE2 3.48Å; V533-F543 HydrophobicContact CG2-CE2 4.12Å; N540-F543 PolarHBondContact O-N 3.02Å
544Q47.8Very low57.7Low137 Ų137101.9 Ų101.964%0.6452%0.524SS*.  trans-98.9126.8169.2-172.2175.89.400108.6Q546Q544-Q546 PolarHBondContact O-N 3.24Å
545K46.5Very low58.9Low138 Ų138101.3 Ų101.360%0.653%0.529SS*.  trans-58.6133.7172.2-80.1-174.8171.6176.20109.9F547K545-F547 WeakPolarHBondContact CB-O 3.35Å; K545-F547 PolarHBondContact O-N 3.14Å; K545-F547 VanDerWaalsContact O-N 3.14Å
546Q51.7Low60.7Low118 Ų118100 Ų10055%0.55153%0.529SS*.SBendtrans-62.9-21.6-176.3-160.9174.232.100113.2Q544Q544-Q546 PolarHBondContact O-N 3.24Å
547F56.3Low62.7Low118 Ų11897.1 Ų97.152%0.51852%0.516SS..SBendtrans-138140.5166.4-56.6-80.8000108.9K545 E551K545-F547 WeakPolarHBondContact CB-O 3.35Å; K545-F547 PolarHBondContact O-N 3.14Å; K545-F547 VanDerWaalsContact O-N 3.14Å; F547-E551 HydrophobicContact CB-CB 4.41Å
548S61.6Low64.8Low52 Ų5294.3 Ų94.336%0.36451%0.508SS..  trans-66.8157.516567.60000110.7L550 E551 M552S548-L550 PolarHBondContact O-N 2.96Å; S548-E551 WeakPolarHBondContact CB-OE2 3.33Å; S548-E551 PolarHBondContact N-OE2 2.82Å; S548-E551 PolarHBondContact O-N 3.07Å; S548-E551 VanDerWaalsContact O-N 3.14Å; S548-E551 VanDerWaalsContact OG-CG 3.3Å; S548-E551 WeakPolarHBondContact OG-CG 3.46Å; S548-E551 PolarHBondContact OG-N 2.82Å; S548-E551 VanDerWaalsContact OG-N 3.12Å; S548-E551 PolarHBondContact OG-OE2 3.2Å; S548-M552 PolarHBondContact O-N 2.84Å
549V72.3Confident67.2Low87 Ų8793.8 Ų93.853%0.52750%0.503SS..Hα-helixtrans-59-32.9175.1-179.50000110.9M552 I553V549-M552 PolarHBondContact O-N 2.91Å; V549-I553 HydrophobicContact CG1-CD1 3.94Å; V549-I553 WeakPolarHBondContact O-CB 3.5Å; V549-I553 WeakPolarHBondContact O-CD1 3.35Å; V549-I553 VanDerWaalsContact O-CG1 3.25Å; V549-I553 WeakPolarHBondContact O-CG1 3.15Å; V549-I553 PolarHBondContact O-N 3.37Å
550L73.8Confident69.4Low138 Ų13891.8 Ų91.872%0.72349%0.492SS*.Hα-helixtrans-68.6-40.5176.9-167.469.8000112.3S548 I553 G554S548-L550 PolarHBondContact O-N 2.96Å; L550-I553 PolarHBondContact O-N 3.39Å; L550-G554 PolarHBondContact O-N 3.36Å
551E75Confident71.3Confident114 Ų11492.1 Ų92.153%0.53350%0.496SS..Hα-helixtrans-68.1-38.5173.9-73.2160.6121.400112F547 S548 G554 A555F547-E551 HydrophobicContact CB-CB 4.41Å; S548-E551 WeakPolarHBondContact CB-OE2 3.33Å; S548-E551 PolarHBondContact N-OE2 2.82Å; S548-E551 PolarHBondContact O-N 3.07Å; S548-E551 VanDerWaalsContact O-N 3.14Å; S548-E551 VanDerWaalsContact OG-CG 3.3Å; S548-E551 WeakPolarHBondContact OG-CG 3.46Å; S548-E551 PolarHBondContact OG-N 2.82Å; S548-E551 VanDerWaalsContact OG-N 3.12Å; S548-E551 PolarHBondContact OG-OE2 3.2Å; E551-G554 CarbonylContact O-C 3.59Å; E551-G554 PolarHBondContact O-N 3.09Å; E551-A555 WeakPolarHBondContact O-CB 3.19Å; E551-A555 PolarHBondContact O-N 3.02Å
552M75.1Confident73.7Confident111 Ų11189.1 Ų89.155%0.54749%0.486SS..Hα-helixtrans-62.2-46174.4-170.3-171.775.500111.2S548 V549 G554 A555 V556S548-M552 PolarHBondContact O-N 2.84Å; V549-M552 PolarHBondContact O-N 2.91Å; M552-G554 VanDerWaalsContact C-N 3.35Å; M552-A555 PolarHBondContact O-N 2.79Å; M552-V556 WeakPolarHBondContact O-CG2 3.48Å; M552-V556 PolarHBondContact O-N 3.12Å
553I84.5Confident75.7Confident88 Ų8891.6 Ų91.645%0.45150%0.502SS..Hα-helixtrans-60.9-44.9173.2-69.8165.7000110.3V549 L550 A555 V556 V557V549-I553 HydrophobicContact CG1-CD1 3.94Å; V549-I553 WeakPolarHBondContact O-CB 3.5Å; V549-I553 WeakPolarHBondContact O-CD1 3.35Å; V549-I553 VanDerWaalsContact O-CG1 3.25Å; V549-I553 WeakPolarHBondContact O-CG1 3.15Å; V549-I553 PolarHBondContact O-N 3.37Å; L550-I553 PolarHBondContact O-N 3.39Å; I553-A555 VanDerWaalsContact C-N 3.34Å; I553-A555 PolarHBondContact O-N 2.78Å; I553-V556 PolarHBondContact O-N 2.9Å; I553-V557 HydrophobicContact CG2-CG2 4.23Å; I553-V557 WeakPolarHBondContact O-CB 3.25Å; I553-V557 VanDerWaalsContact O-CG2 3.31Å; I553-V557 WeakPolarHBondContact O-CG2 3.33Å; I553-V557 PolarHBondContact O-N 3.4Å
554G85.1Confident77.8Confident43 Ų4392.2 Ų92.244%0.44351%0.508SS..Hα-helixtrans-60.1-39.4176.900000113.4L550 E551 M552 G558L550-G554 PolarHBondContact O-N 3.36Å; E551-G554 CarbonylContact O-C 3.59Å; E551-G554 PolarHBondContact O-N 3.09Å; M552-G554 VanDerWaalsContact C-N 3.35Å; G554-G558 WeakPolarHBondContact O-CA 3.49Å; G554-G558 PolarHBondContact O-N 3.3Å
555A81.4Confident79.9Confident56 Ų5689.8 Ų89.846%0.46350%0.503SS..Hα-helixtrans-70.5-41.2176.400000112.4E551 M552 I553 G558 T559E551-A555 WeakPolarHBondContact O-CB 3.19Å; E551-A555 PolarHBondContact O-N 3.02Å; M552-A555 PolarHBondContact O-N 2.79Å; I553-A555 VanDerWaalsContact C-N 3.34Å; I553-A555 PolarHBondContact O-N 2.78Å; A555-G558 PolarHBondContact O-N 3.34Å; A555-T559 WeakPolarHBondContact O-CB 3.39Å; A555-T559 WeakPolarHBondContact O-CG2 3.39Å; A555-T559 PolarHBondContact O-N 3.15Å; A555-T559 PolarHBondContact O-OG1 3.2Å
556V88.7Confident82.1Confident90 Ų9088.6 Ų88.655%0.54550%0.502SS..Hα-helixtrans-66.5-45.7175.5171.60000111M552 I553 T559 F560M552-V556 WeakPolarHBondContact O-CG2 3.48Å; M552-V556 PolarHBondContact O-N 3.12Å; I553-V556 PolarHBondContact O-N 2.9Å; V556-T559 PolarHBondContact O-OG1 2.85Å; V556-T559 VanDerWaalsContact O-OG1 3.13Å; V556-F560 VanDerWaalsContact O-CB 3.23Å; V556-F560 WeakPolarHBondContact O-CB 2.97Å; V556-F560 PolarHBondContact O-N 2.97Å
557V91.2Very high84Confident82 Ų8289.9 Ų89.950%0.49751%0.506SS..Hα-helixtrans-66.9-39.2176.3173.70000111I553 T561I553-V557 HydrophobicContact CG2-CG2 4.23Å; I553-V557 WeakPolarHBondContact O-CB 3.25Å; I553-V557 VanDerWaalsContact O-CG2 3.31Å; I553-V557 WeakPolarHBondContact O-CG2 3.33Å; I553-V557 PolarHBondContact O-N 3.4Å; V557-T561 HydrophobicContact CG1-CG2 4.37Å; V557-T561 WeakPolarHBondContact O-CB 3.04Å; V557-T561 WeakPolarHBondContact O-CG2 3.41Å; V557-T561 PolarHBondContact O-N 3.08Å; V557-T561 PolarHBondContact O-OG1 2.96Å
558G90.8Very high85.7Confident28 Ų2888.5 Ų88.529%0.28950%0.503SS..Hα-helixtrans-63.3-48.6175.800000112.8G554 A555 T561 V562G554-G558 WeakPolarHBondContact O-CA 3.49Å; G554-G558 PolarHBondContact O-N 3.3Å; A555-G558 PolarHBondContact O-N 3.34Å; G558-T561 PolarHBondContact O-N 3.4Å; G558-T561 PolarHBondContact O-OG1 2.95Å; G558-T561 VanDerWaalsContact O-OG1 3.07Å; G558-V562 WeakPolarHBondContact O-CB 3.46Å; G558-V562 VanDerWaalsContact O-CG2 3.29Å; G558-V562 WeakPolarHBondContact O-CG2 3.46Å; G558-V562 PolarHBondContact O-N 3.09Å
559T88.3Confident87.2Confident89 Ų8992.2 Ų92.255%0.54651%0.513SS..Hα-helixtrans-66.5-38.7176.749.80000112A555 V556 T563A555-T559 WeakPolarHBondContact O-CB 3.39Å; A555-T559 WeakPolarHBondContact O-CG2 3.39Å; A555-T559 PolarHBondContact O-N 3.15Å; A555-T559 PolarHBondContact O-OG1 3.2Å; V556-T559 PolarHBondContact O-OG1 2.85Å; V556-T559 VanDerWaalsContact O-OG1 3.13Å; T559-T563 WeakPolarHBondContact O-CB 3.11Å; T559-T563 WeakPolarHBondContact O-CG2 3.32Å; T559-T563 PolarHBondContact O-N 3.18Å; T559-T563 PolarHBondContact O-OG1 3.31Å
560F92.1Very high88.1Confident136 Ų13689.3 Ų89.360%0.59650%0.501SS*.Hα-helixtrans-64.8-43.4174.9-171.7-98.7000112.4V556 T563 L564V556-F560 VanDerWaalsContact O-CB 3.23Å; V556-F560 WeakPolarHBondContact O-CB 2.97Å; V556-F560 PolarHBondContact O-N 2.97Å; F560-T563 WeakPolarHBondContact CA-OG1 3.32Å; F560-T563 PolarHBondContact O-OG1 2.83Å; F560-T563 VanDerWaalsContact O-OG1 3.09Å; F560-L564 HydrophobicContact CE1-CD2 4.24Å; F560-L564 WeakPolarHBondContact O-CB 3.36Å; F560-L564 PolarHBondContact O-N 3.34Å
561T91.7Very high88.9Confident69 Ų6984.7 Ų84.742%0.42348%0.48SS..Hα-helixtrans-70.2-37.1177.850.10000112.8V557 G558 T565V557-T561 HydrophobicContact CG1-CG2 4.37Å; V557-T561 WeakPolarHBondContact O-CB 3.04Å; V557-T561 WeakPolarHBondContact O-CG2 3.41Å; V557-T561 PolarHBondContact O-N 3.08Å; V557-T561 PolarHBondContact O-OG1 2.96Å; G558-T561 PolarHBondContact O-N 3.4Å; G558-T561 PolarHBondContact O-OG1 2.95Å; G558-T561 VanDerWaalsContact O-OG1 3.07Å; T561-T565 WeakPolarHBondContact O-CB 3.43Å; T561-T565 WeakPolarHBondContact O-CG2 3.32Å; T561-T565 PolarHBondContact O-N 3.09Å; T561-T565 PolarHBondContact O-OG1 2.95Å
562V93.2Very high89.6Confident80 Ų8082 Ų8249%0.48547%0.473SS..Hα-helixtrans-66.4-45.6173.21700000111.4G558 T565 L566G558-V562 WeakPolarHBondContact O-CB 3.46Å; G558-V562 VanDerWaalsContact O-CG2 3.29Å; G558-V562 WeakPolarHBondContact O-CG2 3.46Å; G558-V562 PolarHBondContact O-N 3.09Å; V562-T565 WeakPolarHBondContact CA-OG1 3.26Å; V562-T565 PolarHBondContact O-N 2.03Å; V562-T565 PolarHBondContact O-OG1 2.79Å; V562-T565 VanDerWaalsContact O-OG1 3.09Å; V562-L566 HydrophobicContact CG1-CD1 3.87Å; V562-L566 HydrophobicContact CG1-CG 4.44Å; V562-L566 WeakPolarHBondContact O-CB 3.41Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.19Å; V562-L566 PolarHBondContact O-N 3.4Å
563T92.1Very high90.3Very high85 Ų8580.9 Ų80.952%0.52147%0.469SS..Hα-helixtrans-66.3-40.5177.750.20000112.2T559 F560 L566 F567T559-T563 WeakPolarHBondContact O-CB 3.11Å; T559-T563 WeakPolarHBondContact O-CG2 3.32Å; T559-T563 PolarHBondContact O-N 3.18Å; T559-T563 PolarHBondContact O-OG1 3.31Å; F560-T563 WeakPolarHBondContact CA-OG1 3.32Å; F560-T563 PolarHBondContact O-OG1 2.83Å; F560-T563 VanDerWaalsContact O-OG1 3.09Å; T563-L566 PolarHBondContact O-N 3.5Å; T563-F567 WeakPolarHBondContact O-CB 3.49Å; T563-F567 PolarHBondContact O-N 2.94Å
564L94.6Very high90.3Very high78 Ų7882 Ų8241%0.40848%0.475SS..Hα-helixtrans-63.9-43.5175.1-177.962000112.4F560 F567 I568F560-L564 HydrophobicContact CE1-CD2 4.24Å; F560-L564 WeakPolarHBondContact O-CB 3.36Å; F560-L564 PolarHBondContact O-N 3.34Å; L564-F567 PolarHBondContact O-N 3.3Å; L564-I568 HydrophobicContact CD1-CD1 4.17Å; L564-I568 HydrophobicContact CG-CD1 4.01Å; L564-I568 WeakPolarHBondContact O-CB 3.4Å; L564-I568 VanDerWaalsContact O-CG1 3.28Å; L564-I568 WeakPolarHBondContact O-CG1 3.32Å; L564-I568 PolarHBondContact O-N 3.4Å
565T91.8Very high90.4Very high86 Ų8689.1 Ų89.153%0.52849%0.488SS..Hα-helixtrans-69.4-38.117849.30000112.3T561 V562 I568 F569T561-T565 WeakPolarHBondContact O-CB 3.43Å; T561-T565 WeakPolarHBondContact O-CG2 3.32Å; T561-T565 PolarHBondContact O-N 3.09Å; T561-T565 PolarHBondContact O-OG1 2.95Å; V562-T565 WeakPolarHBondContact CA-OG1 3.26Å; V562-T565 PolarHBondContact O-N 2.03Å; V562-T565 PolarHBondContact O-OG1 2.79Å; V562-T565 VanDerWaalsContact O-OG1 3.09Å; T565-I568 PolarHBondContact O-N 2.83Å; T565-F569 VanDerWaalsContact O-CB 3.31Å; T565-F569 WeakPolarHBondContact O-CB 3.13Å; T565-F569 PolarHBondContact O-N 3.49Å
566L92.6Very high90.5Very high112 Ų11291.7 Ų91.759%0.58649%0.493SS*.Hα-helixtrans-63.3-40.2171-73.4171.9000112.1V562 T563 F569 G570V562-L566 HydrophobicContact CG1-CD1 3.87Å; V562-L566 HydrophobicContact CG1-CG 4.44Å; V562-L566 WeakPolarHBondContact O-CB 3.41Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.19Å; V562-L566 PolarHBondContact O-N 3.4Å; T563-L566 PolarHBondContact O-N 3.5Å; L566-F569 PolarHBondContact O-N 3.07Å; L566-G570 PolarHBondContact O-N 3.3Å
567F92.5Very high90Very high145 Ų14591.8 Ų91.864%0.63649%0.487SS*.Hα-helixtrans-63.5-47.5174.9-177.4-98.4000111.7T563 L564 F569 G570 C571T563-F567 WeakPolarHBondContact O-CB 3.49Å; T563-F567 PolarHBondContact O-N 2.94Å; L564-F567 PolarHBondContact O-N 3.3Å; F567-F569 VanDerWaalsContact C-N 3.35Å; F567-F569 PolarHBondContact O-N 3.38Å; F567-G570 PolarHBondContact O-N 3.34Å; F567-C571 WeakPolarHBondContact O-CB 3.4Å; F567-C571 PolarHBondContact O-N 2.98Å; F567-C571 PolarHBondContact O-SG 3.46Å; F567-C571 VanDerWaalsContact O-SG 3.38Å
568I92.3Very high89.4Confident89 Ų8995.1 Ų95.146%0.45650%0.495SS..Hα-helixtrans-59.9-44.6175.5-69.8165.5000110.8L564 T565 C571 C572L564-I568 HydrophobicContact CD1-CD1 4.17Å; L564-I568 HydrophobicContact CG-CD1 4.01Å; L564-I568 WeakPolarHBondContact O-CB 3.4Å; L564-I568 VanDerWaalsContact O-CG1 3.28Å; L564-I568 WeakPolarHBondContact O-CG1 3.32Å; L564-I568 PolarHBondContact O-N 3.4Å; T565-I568 PolarHBondContact O-N 2.83Å; I568-C571 PolarHBondContact O-N 3.23Å; I568-C572 WeakPolarHBondContact O-CB 3.39Å; I568-C572 PolarHBondContact O-N 3.19Å; I568-C572 PolarHBondContact O-SG 3.39Å; I568-C572 VanDerWaalsContact O-SG 3.4Å
569F92.1Very high88.7Confident130 Ų130103 Ų10357%0.5752%0.516SS*.Hα-helixtrans-63.9-42.6177.3-170.2-108.8000111.7T565 L566 F567 C572 L573T565-F569 VanDerWaalsContact O-CB 3.31Å; T565-F569 WeakPolarHBondContact O-CB 3.13Å; T565-F569 PolarHBondContact O-N 3.49Å; L566-F569 PolarHBondContact O-N 3.07Å; F567-F569 VanDerWaalsContact C-N 3.35Å; F567-F569 PolarHBondContact O-N 3.38Å; F569-C572 WeakPolarHBondContact O-CB 3.27Å; F569-C572 PolarHBondContact O-N 3.37Å; F569-L573 HydrophobicContact CD1-CD1 3.88Å; F569-L573 HydrophobicContact CD1-CG 4.27Å; F569-L573 HydrophobicContact CE1-CD1 3.56Å; F569-L573 HydrophobicContact CE1-CD2 4.48Å; F569-L573 HydrophobicContact CE1-CG 4.04Å; F569-L573 HydrophobicContact CZ-CD1 4.23Å; F569-L573 HydrophobicContact CZ-CD2 4.34Å; F569-L573 HydrophobicContact CZ-CG 4.32Å; F569-L573 WeakPolarHBondContact O-CG 3.36Å; F569-L573 PolarHBondContact O-N 3.41Å
570G92Very high87.8Confident26 Ų26101.6 Ų101.627%0.26851%0.51SS..Hα-helixtrans-59.6-46.3172.700000112.8L566 F567 C572 L573 L574L566-G570 PolarHBondContact O-N 3.3Å; F567-G570 PolarHBondContact O-N 3.34Å; G570-C572 VanDerWaalsContact C-N 3.33Å; G570-C572 PolarHBondContact O-N 2.75Å; G570-L573 PolarHBondContact O-N 3.34Å; G570-L574 WeakPolarHBondContact O-CB 3.36Å; G570-L574 VanDerWaalsContact O-CG 3.29Å; G570-L574 WeakPolarHBondContact O-CG 3.49Å; G570-L574 PolarHBondContact O-N 3.31Å
571C90.4Very high86.6Confident42 Ų42103.1 Ų103.128%0.28451%0.512SS..Hα-helixtrans-61.6-38.5173.5-71.70000112.5F567 I568 R575F567-C571 WeakPolarHBondContact O-CB 3.4Å; F567-C571 PolarHBondContact O-N 2.98Å; F567-C571 PolarHBondContact O-SG 3.46Å; F567-C571 VanDerWaalsContact O-SG 3.38Å; I568-C571 PolarHBondContact O-N 3.23Å; C571-R575 WeakPolarHBondContact O-CB 3.1Å; C571-R575 VanDerWaalsContact O-CG 3.28Å; C571-R575 WeakPolarHBondContact O-CG 3.33Å; C571-R575 PolarHBondContact O-N 3.42Å
572C88.8Confident84.9Confident56 Ų56108.6 Ų108.638%0.37853%0.526SS..Hα-helixtrans-66.1-46174.4-78.10000111.9I568 F569 G570 L574 R575 I576I568-C572 WeakPolarHBondContact O-CB 3.39Å; I568-C572 PolarHBondContact O-N 3.19Å; I568-C572 PolarHBondContact O-SG 3.39Å; I568-C572 VanDerWaalsContact O-SG 3.4Å; F569-C572 WeakPolarHBondContact O-CB 3.27Å; F569-C572 PolarHBondContact O-N 3.37Å; G570-C572 VanDerWaalsContact C-N 3.33Å; G570-C572 PolarHBondContact O-N 2.75Å; C572-L574 PolarHBondContact O-N 2.94Å; C572-R575 PolarHBondContact O-N 3.1Å; C572-I576 WeakPolarHBondContact O-CB 3.41Å; C572-I576 VanDerWaalsContact O-CG1 3.25Å; C572-I576 WeakPolarHBondContact O-CG1 3.47Å; C572-I576 PolarHBondContact O-N 2.9Å
573L89.3Confident83.1Confident89 Ų89112 Ų11247%0.46654%0.535SS..Hα-helixtrans-60.8-42.2173.8-72.3-179.1000111.9F569 G570 I576 H577F569-L573 HydrophobicContact CD1-CD1 3.88Å; F569-L573 HydrophobicContact CD1-CG 4.27Å; F569-L573 HydrophobicContact CE1-CD1 3.56Å; F569-L573 HydrophobicContact CE1-CD2 4.48Å; F569-L573 HydrophobicContact CE1-CG 4.04Å; F569-L573 HydrophobicContact CZ-CD1 4.23Å; F569-L573 HydrophobicContact CZ-CD2 4.34Å; F569-L573 HydrophobicContact CZ-CG 4.32Å; F569-L573 WeakPolarHBondContact O-CG 3.36Å; F569-L573 PolarHBondContact O-N 3.41Å; G570-L573 PolarHBondContact O-N 3.34Å; L573-I576 PolarHBondContact O-N 2.89Å; L573-H577 VanDerWaalsContact O-CB 3.3Å; L573-H577 WeakPolarHBondContact O-CB 3.29Å; L573-H577 PolarHBondContact O-N 3Å
574L85.9Confident81.2Confident112 Ų112111.7 Ų111.759%0.58653%0.532SS*.Hα-helixtrans-65.1-38.4175.6-73.4170.3000112.2G570 C572 K578G570-L574 WeakPolarHBondContact O-CB 3.36Å; G570-L574 VanDerWaalsContact O-CG 3.29Å; G570-L574 WeakPolarHBondContact O-CG 3.49Å; G570-L574 PolarHBondContact O-N 3.31Å; C572-L574 PolarHBondContact O-N 2.94Å; L574-K578 WeakPolarHBondContact O-CB 3.33Å; L574-K578 WeakPolarHBondContact O-CG 3.42Å; L574-K578 PolarHBondContact O-N 3.32Å
575R85.7Confident79Confident192 Ų192117.1 Ų117.173%0.72555%0.547SS*.Hα-helixtrans-65.8-43.2172.5-77.7173.9174.9179.4-0.9111.6C571 C572 R579C571-R575 WeakPolarHBondContact O-CB 3.1Å; C571-R575 VanDerWaalsContact O-CG 3.28Å; C571-R575 WeakPolarHBondContact O-CG 3.33Å; C571-R575 PolarHBondContact O-N 3.42Å; C572-R575 PolarHBondContact O-N 3.1Å; R575-R579 VanDerWaalsContact O-CB 3.28Å; R575-R579 WeakPolarHBondContact O-CB 3.46Å; R575-R579 PolarHBondContact O-N 2.93Å
576I84.1Confident77.1Confident109 Ų109115.6 Ų115.656%0.55954%0.54SS*.Hα-helixtrans-64.2-45.1176.1-69.6163.7000110.6C572 L573 R579 S580C572-I576 WeakPolarHBondContact O-CB 3.41Å; C572-I576 VanDerWaalsContact O-CG1 3.25Å; C572-I576 WeakPolarHBondContact O-CG1 3.47Å; C572-I576 PolarHBondContact O-N 2.9Å; L573-I576 PolarHBondContact O-N 2.89Å; I576-R579 PolarHBondContact O-N 2.88Å; I576-S580 VanDerWaalsContact O-CB 3.25Å; I576-S580 WeakPolarHBondContact O-CB 3.48Å; I576-S580 PolarHBondContact O-N 2.8Å
577H78.7Confident75Confident92 Ų92117.2 Ų117.243%0.42654%0.542SS..Hα-helixtrans-67.5-39.7178.4-177.6-132.3000112.2L573 S580 R581L573-H577 VanDerWaalsContact O-CB 3.3Å; L573-H577 WeakPolarHBondContact O-CB 3.29Å; L573-H577 PolarHBondContact O-N 3Å; H577-S580 PolarHBondContact O-N 2.8Å; H577-R581 PolarHBondContact CE1-NE 3.44Å; H577-R581 PolarHBondContact NE2-NE 2.85Å; H577-R581 PolarHBondContact O-N 3.18Å
578K78.5Confident73Confident152 Ų152115.5 Ų115.566%0.66154%0.539SS*.Hα-helixtrans-60.9-47.6169.2-81.7-173.5174.1-177.90111.4L574 S580 R581 Y582L574-K578 WeakPolarHBondContact O-CB 3.33Å; L574-K578 WeakPolarHBondContact O-CG 3.42Å; L574-K578 PolarHBondContact O-N 3.32Å; K578-S580 VanDerWaalsContact C-N 3.31Å; K578-S580 PolarHBondContact O-N 3.23Å; K578-R581 PolarHBondContact O-N 3.09Å; K578-Y582 WeakPolarHBondContact O-CD2 3.48Å; K578-Y582 PolarHBondContact O-N 2.67Å
579R76.6Confident70.8Confident194 Ų194117.8 Ų117.873%0.73255%0.551SS**Hα-helixtrans-66.1-33.1179.9-158.3175-165.8-175.54.4112.4R575 I576 K583R575-R579 VanDerWaalsContact O-CB 3.28Å; R575-R579 WeakPolarHBondContact O-CB 3.46Å; R575-R579 PolarHBondContact O-N 2.93Å; I576-R579 PolarHBondContact O-N 2.88Å; R579-K583 PolarHBondContact O-N 3.09Å
580S69.9Low68.6Low60 Ų60117.4 Ų117.442%0.4255%0.554SS.*Hα-helixtrans-65.8-53.4171.2-1790000111.1I576 H577 K578 Y582 K583 V584I576-S580 VanDerWaalsContact O-CB 3.25Å; I576-S580 WeakPolarHBondContact O-CB 3.48Å; I576-S580 PolarHBondContact O-N 2.8Å; H577-S580 PolarHBondContact O-N 2.8Å; K578-S580 VanDerWaalsContact C-N 3.31Å; K578-S580 PolarHBondContact O-N 3.23Å; S580-Y582 VanDerWaalsContact C-N 3.25Å; S580-Y582 PolarHBondContact O-N 2.79Å; S580-K583 CarbonylContact O-C 3.14Å; S580-K583 PolarHBondContact O-N 2.93Å; S580-V584 WeakPolarHBondContact O-CG2 3.41Å; S580-V584 PolarHBondContact O-N 2.98Å
581R66.4Low66.4Low167 Ų167123.6 Ų123.663%0.6358%0.576SS**Hα-helixtrans-59.6-33.6176.1-74.4-166.2-179.4-153.5-1.6112.9H577 K578 R585H577-R581 PolarHBondContact CE1-NE 3.44Å; H577-R581 PolarHBondContact NE2-NE 2.85Å; H577-R581 PolarHBondContact O-N 3.18Å; K578-R581 PolarHBondContact O-N 3.09Å; R581-R585 WeakPolarHBondContact O-CB 3.46Å; R581-R585 PolarHBondContact O-N 2.83Å
582Y56Low64.3Low184 Ų184129.7 Ų129.772%0.72260%0.6SS**Hα-helixtrans-66.9-44.3171-93.1-73.4000112.9K578 S580 V584 S586K578-Y582 WeakPolarHBondContact O-CD2 3.48Å; K578-Y582 PolarHBondContact O-N 2.67Å; S580-Y582 VanDerWaalsContact C-N 3.25Å; S580-Y582 PolarHBondContact O-N 2.79Å; Y582-V584 VanDerWaalsContact C-N 3.35Å; Y582-V584 PolarHBondContact O-N 3.03Å; Y582-S586 WeakPolarHBondContact O-CB 3.41Å; Y582-S586 PolarHBondContact O-N 2.99Å; Y582-S586 PolarHBondContact O-OG 2.78Å
583K54.2Low61.9Low153 Ų153131.5 Ų131.567%0.66561%0.61SS**Hα-helixtrans-66.7-32.4174.3-83-166171.6-170.50113.6R579 S580 S586 K587R579-K583 PolarHBondContact O-N 3.09Å; S580-K583 CarbonylContact O-C 3.14Å; S580-K583 PolarHBondContact O-N 2.93Å; K583-S586 WeakPolarHBondContact CA-OG 3.46Å; K583-S586 PolarHBondContact O-OG 3.03Å; K583-S586 VanDerWaalsContact O-OG 3.08Å; K583-K587 WeakPolarHBondContact O-CB 3.27Å; K583-K587 PolarHBondContact O-N 3.45Å
584V53.1Low59.4Low78 Ų78134 Ų13447%0.47363%0.629SS.*Hα-helixtrans-73.4-45.8175.8173.20000110.4S580 Y582 S586 K587 I588S580-V584 WeakPolarHBondContact O-CG2 3.41Å; S580-V584 PolarHBondContact O-N 2.98Å; Y582-V584 VanDerWaalsContact C-N 3.35Å; Y582-V584 PolarHBondContact O-N 3.03Å; V584-S586 PolarHBondContact O-N 2.81Å; V584-K587 PolarHBondContact O-N 3.18Å; V584-I588 HydrophobicContact CG1-CD1 3.73Å; V584-I588 HydrophobicContact CG1-CG1 4.48Å; V584-I588 WeakPolarHBondContact O-CB 3.35Å; V584-I588 VanDerWaalsContact O-CG1 3.3Å; V584-I588 WeakPolarHBondContact O-CG1 3.49Å; V584-I588 PolarHBondContact O-N 2.8Å
585R48.4Very low56.8Low191 Ų191134.2 Ų134.272%0.72164%0.64SS**Hα-helixtrans-63.6-37.5172.5-91.2-172.5163.8172.3-5112.8R581 I588 L589R581-R585 WeakPolarHBondContact O-CB 3.46Å; R581-R585 PolarHBondContact O-N 2.83Å; R585-I588 PolarHBondContact O-N 3.09Å; R585-L589 WeakPolarHBondContact O-CB 3.29Å; R585-L589 PolarHBondContact O-N 3.25Å
586S51Low54.3Low54 Ų54133.5 Ų133.538%0.37864%0.644SS.*Hα-helixtrans-66.6-38.1175.773.70000111.9Y582 K583 V584 L589 L590Y582-S586 WeakPolarHBondContact O-CB 3.41Å; Y582-S586 PolarHBondContact O-N 2.99Å; Y582-S586 PolarHBondContact O-OG 2.78Å; K583-S586 WeakPolarHBondContact CA-OG 3.46Å; K583-S586 PolarHBondContact O-OG 3.03Å; K583-S586 VanDerWaalsContact O-OG 3.08Å; V584-S586 PolarHBondContact O-N 2.81Å; S586-L589 PolarHBondContact O-N 3.21Å; S586-L590 WeakPolarHBondContact O-CB 3.44Å; S586-L590 PolarHBondContact O-N 2.91Å
587K48.7Very low52Low146 Ų146135.5 Ų135.564%0.63566%0.656SS**Hα-helixtrans-68.8-37.3173-81.5-159.9168.5-159.10113.3K583 V584 L589 L590 H591K583-K587 WeakPolarHBondContact O-CB 3.27Å; K583-K587 PolarHBondContact O-N 3.45Å; V584-K587 PolarHBondContact O-N 3.18Å; K587-L589 VanDerWaalsContact C-N 3.33Å; K587-L590 PolarHBondContact O-N 3.44Å; K587-H591 PolarHBondContact O-CD2 3.29Å; K587-H591 PolarHBondContact O-N 3Å
588I50Low49.9Very low109 Ų109134.9 Ų134.956%0.55966%0.662SS**Hα-helixtrans-68.3-32.8176.4-69.7169.2000111.4V584 R585V584-I588 HydrophobicContact CG1-CD1 3.73Å; V584-I588 HydrophobicContact CG1-CG1 4.48Å; V584-I588 WeakPolarHBondContact O-CB 3.35Å; V584-I588 VanDerWaalsContact O-CG1 3.3Å; V584-I588 WeakPolarHBondContact O-CG1 3.49Å; V584-I588 PolarHBondContact O-N 2.8Å; R585-I588 PolarHBondContact O-N 3.09Å
589L47.2Very low47.8Very low137 Ų137137.8 Ų137.872%0.71767%0.671SS**Hα-helixtrans-81.3-26.1175-81.4159.3000114.2R585 S586 K587R585-L589 WeakPolarHBondContact O-CB 3.29Å; R585-L589 PolarHBondContact O-N 3.25Å; S586-L589 PolarHBondContact O-N 3.21Å; K587-L589 VanDerWaalsContact C-N 3.33Å
590L46.5Very low45.8Very low122 Ų122139.5 Ų139.564%0.63968%0.677SS**Hα-helixtrans-85.9-14.2177.3-90.1153.6000114.6S586 K587S586-L590 WeakPolarHBondContact O-CB 3.44Å; S586-L590 PolarHBondContact O-N 2.91Å; K587-L590 PolarHBondContact O-N 3.44Å
591H45.8Very low44.2Very low157 Ų157142.3 Ų142.373%0.72769%0.692SS**THydrogen-bonded Turntrans-86.4-1175.8-93.6-70.7000114.6K587K587-H591 PolarHBondContact O-CD2 3.29Å; K587-H591 PolarHBondContact O-N 3Å
592H45.6Very low42.7Very low170 Ų170144 Ų14479%0.78770%0.704SS**THydrogen-bonded Turntrans-95.75.3178.4-99.2-72.3000114.9
593T37.9Very low41.8Very low94 Ų94140.3 Ų140.358%0.57771%0.705SS**SBendtrans-134.1154.1169.653.30000109.4
594T36.3Very low41.3Very low141 Ų141139 Ų13987%0.86571%0.712SS**SBendtrans73.353.2-178.667.70000118.2
595S32.6Very low40.5Very low117 Ų117139.1 Ų139.182%0.81872%0.721SS**  trans-153.571.8143.368.80000112.7
596E33.4Very low40Very low176 Ų176134.7 Ų134.782%0.82272%0.72SS**  trans-77.2157.7148.6-68.6-177.3121.100109.2
597N34.6Very low39.4Very low152 Ų152139 Ų13981%0.81373%0.734SS**  trans71.3135.5176.4-51.3-55.5000116.8
598S35.8Very low39Very low79 Ų79138.9 Ų138.955%0.55274%0.74SS**  cis-174.4161.2-23.6390000110.7
599Y34.5Very low38.4Very low212 Ų212139.4 Ų139.483%0.83174%0.743SS**  trans82.3144.5162.3-56.6-70.8000121.5
600R33.8Very low37.9Very low231 Ų231141 Ų14187%0.87275%0.745SS**  trans73.890.9167.9-58.6-175.8-175.1-170.20.2116.8
601T36.7Very low37.3Very low118 Ų118139.9 Ų139.972%0.72475%0.747SS**  76102.168.365.50000115.8
602F34.2Very low37.3Very low204 Ų204138 Ų13890%0.89575%0.749SS**  -162.3155.5108.6-114.6-84.9000110
603S37.2Very low37.4Very low105 Ų105134.8 Ų134.873%0.73474%0.743SS**  trans-134.2-168.8-172.6-47.40000109
604P43.4Very low37.4Very low126 Ų126138.5 Ų138.582%0.81875%0.753SS**  cis-120.4-163.5-12.335.9-14.8000110.9
605A36.6Very low37.5Very low80 Ų80136.2 Ų136.266%0.66174%0.743SS**  cis-144.5151.211.900000108.4
606S38.9Very low37.7Very low98 Ų98135.4 Ų135.469%0.68574%0.737SS**  cis72.6139.74297.60000113.2
607E38.7Very low37.9Very low146 Ų146133 Ų13368%0.68274%0.735SS**  cis-164.6-170.41.5-136.3173.6142.700111.9
608N38.7Very low38.1Very low142 Ų142130.7 Ų130.776%0.75973%0.731SS**  trans112.3131.2158-58.1-31.5000117.8
609L38Very low38.2Very low121 Ų121133 Ų13363%0.63474%0.737SS**  cis-162.4143.9-20.6-151.877.8000112.7
610K35.9Very low38.5Very low170 Ų170130 Ų13074%0.73973%0.73SS**  trans11.8161.4144.3-62.6169.1-171.1168.10122.7
611S35.2Very low38.6Very low99 Ų99125.4 Ų125.469%0.69272%0.722SS**  cis-178.5163.3-21.659.90000112
612P45.7Very low38.5Very low117 Ų117127.7 Ų127.776%0.7673%0.729SS**  trans-84.3-170.5172.638.9-39.7000113
613P46.4Very low38.6Very low102 Ų102123.6 Ų123.666%0.66273%0.725SS**  cis-150.1-14327.747.2-23.1000118.1
614H39.3Very low38.7Very low173 Ų173125.9 Ų125.980%0.80173%0.73SS**  trans96148.2172.2-54.3-69.4000118.5
615S37.6Very low38.5Very low92 Ų92124.6 Ų124.664%0.64372%0.721SS**  cis-172.1167.7-26.158.20000112.9
616S37.8Very low38.4Very low100 Ų100126.1 Ų126.170%0.69973%0.727SS**  trans65.7149.9154.340.70000119.8
617T37.4Very low38.3Very low125 Ų125128.5 Ų128.577%0.76773%0.732SS**  cis-163.7147.3-1.910.40000112.4
618S38.4Very low38.1Very low105 Ų105127.6 Ų127.673%0.73473%0.732SS**  trans65.5171.3159.382.10000116.8
619N38.3Very low38Very low126 Ų126126.6 Ų126.667%0.67473%0.726SS**  cis-164.2168.9-29.1-102.7-5.2000107
620H39.5Very low37.8Very low150 Ų150128.4 Ų128.469%0.69473%0.729SS**  cis-156.1172.12.7-123-12.8000111.4
621L36.3Very low37.6Very low135 Ų135126.1 Ų126.171%0.70773%0.725SS**  trans19.7115.4156-62.3170.4000122.8
622L35.6Very low37.7Very low166 Ų166127.5 Ų127.587%0.86974%0.735SS**  trans55.8132.5136.7-59.5164.7000119.7
623S36.8Very low37Very low117 Ų117125.2 Ų125.282%0.81873%0.732SS**  cis-139.6170.32357.70000114.7
624N39Very low36.5Very low154 Ų154128.6 Ų128.682%0.82474%0.743SS**  trans-91.6168.4-170.4-108.3-10.4000113.8
625P38.5Very low36.1Very low98 Ų98127.7 Ų127.764%0.63674%0.744SS**  cis-134175.8-2036.7-19.1000114.6
626S35.8Very low36Very low113 Ų113128.5 Ų128.579%0.7975%0.747SS**  trans57.271.8166.651.10000117.4
627N36.5Very low35.7Very low148 Ų148128.6 Ų128.679%0.79175%0.748SS**  trans-54.9151.5151.8-104.2-5.4000110.4
628N34.7Very low35.6Very low127 Ų127129.2 Ų129.268%0.67975%0.747SS**  57.8155.851.2-68.2-22.9000112.1
629N35.6Very low35.3Very low120 Ų120131 Ų13164%0.64275%0.748SS**  cis-145.5146.9-7.3-111.3-13000105.7
630K32.9Very low35.1Very low159 Ų159132.2 Ų132.269%0.69175%0.754SS**  59.3123.279.7-79.6-171.3157.3-150.90116.8
631D33.1Very low34.7Very low122 Ų122132.6 Ų132.665%0.65276%0.762SS**  69152.2127.4-48.8-19.8000122
632S36.4Very low34.4Very low129 Ų129134.1 Ų134.190%0.90277%0.77SS**  trans67.8139.3170.572.90000117.5
633G32Very low34.1Very low68 Ų68130.4 Ų130.470%0.70175%0.754SS**  cis-162.4176.3-9.600000107.9
634I35.3Very low33.7Very low174 Ų174130.6 Ų130.689%0.89276%0.756SS**  cis-163.4151.543.2-84.9154.6000108.2
635N30.7Very low33.1Very low153 Ų153132.7 Ų132.782%0.81875%0.754SS**  trans-67.3163.4174.4-87.8-20.9000112.9
636P36.1Very low32.5Very low109 Ų109132.8 Ų132.871%0.70876%0.757SS**  cis-144.8175.927.942.5-23.7000118.9
637S31.6Very low32.2Very low103 Ų103135.6 Ų135.672%0.7276%0.762SS**  trans79.6148.9150.974.20000121.2
638N34.4Very low31.6Very low138 Ų138134.8 Ų134.874%0.73876%0.757SS**  trans68.8107.7166.2-67.6-7000121.3
639N32.4Very low31.6Very low143 Ų143134.7 Ų134.777%0.76576%0.764SS**  trans72.9156.1140.4-64.6-11.3000121.6
640N34Very low31.2Very low150 Ų150134.4 Ų134.480%0.80277%0.766SS**  trans71.683.1169.4-57.7-22.4000118
641N30.8Very low31Very low159 Ų159131.7 Ų131.785%0.8577%0.765SS**  trans-104.286.3158.5-95.9-26.2000111.2V643N641-V643 HydrophobicContact CB-CG2 4.41Å; N641-V643 PolarHBondContact O-N 3.09Å
642N31.4Very low30.8Very low166 Ų166132.8 Ų132.889%0.88877%0.77SS**  trans-74.3103.6159.2-88.6-33.1000108.4
643V28.8Very low30.3Very low88 Ų88132.7 Ų132.753%0.53377%0.765SS.*  trans-108.1106172.2-171.50000110.3N641 Y645N641-V643 HydrophobicContact CB-CG2 4.41Å; N641-V643 PolarHBondContact O-N 3.09Å; V643-Y645 HydrophobicContact CB-CD2 4.37Å; V643-Y645 HydrophobicContact CB-CE2 4.11Å; V643-Y645 HydrophobicContact CG1-CD2 3.73Å; V643-Y645 HydrophobicContact CG1-CE1 4.49Å; V643-Y645 HydrophobicContact CG1-CE2 3.34Å; V643-Y645 HydrophobicContact CG1-CG 4.46Å; V643-Y645 PolarHBondContact O-N 2.81Å; V643-Y645 VanDerWaalsContact O-N 3.12Å
644S27.4Very low30.1Very low121 Ų121137 Ų13785%0.84677%0.771SS**  trans-74.891.3173.541.90000111.2
645Y27.7Very low29.7Very low199 Ų199134.2 Ų134.278%0.7876%0.762SS**  trans-81.3121.3167.9-79.8-70.3000111.6V643 L647V643-Y645 HydrophobicContact CB-CD2 4.37Å; V643-Y645 HydrophobicContact CB-CE2 4.11Å; V643-Y645 HydrophobicContact CG1-CD2 3.73Å; V643-Y645 HydrophobicContact CG1-CE1 4.49Å; V643-Y645 HydrophobicContact CG1-CE2 3.34Å; V643-Y645 HydrophobicContact CG1-CG 4.46Å; V643-Y645 PolarHBondContact O-N 2.81Å; V643-Y645 VanDerWaalsContact O-N 3.12Å; Y645-L647 PolarHBondContact O-N 3.27Å
646S25.9Very low29.5Very low100 Ų100133.3 Ų133.370%0.69976%0.757SS**  trans-66.5108.5169.252.70000110.2N648S646-N648 VanDerWaalsContact C-N 3.29Å; S646-N648 PolarHBondContact O-N 2.82Å
647L28.2Very low29Very low171 Ų171132.3 Ų132.390%0.89575%0.753SS**  trans-69.283.3173-82162.3000111Y645Y645-L647 PolarHBondContact O-N 3.27Å
648N25.3Very low28.8Very low131 Ų131137.5 Ų137.570%0.70176%0.758SS**  trans-65.2128.5153.2-77.6-17000107.8S646 V650S646-N648 VanDerWaalsContact C-N 3.29Å; S646-N648 PolarHBondContact O-N 2.82Å; N648-V650 PolarHBondContact O-N 3.29Å
649P32.8Very low28.5Very low125 Ų125136.2 Ų136.281%0.81276%0.755SS**  trans-73.2101.1178.629.2-33.3000109.9
650V28.4Very low28.3Very low114 Ų114134.2 Ų134.269%0.69176%0.758SS**  trans-69.2124.8161.8178.50000107.4N648 N652N648-V650 PolarHBondContact O-N 3.29Å; V650-N652 PolarHBondContact O-N 3.11Å; V650-N652 VanDerWaalsContact O-N 3.13Å
651P28.1Very low28Very low102 Ų102134 Ų13466%0.66276%0.757SS**  trans-72.8106.7174.627.7-29.7000108.9T653P651-T653 PolarHBondContact O-N 3.24Å
652N28.8Very low27.9Very low145 Ų145133.4 Ų133.478%0.77575%0.754SS**  trans-73.477.2172.4-83.6-2000110.4V650 L654V650-N652 PolarHBondContact O-N 3.11Å; V650-N652 VanDerWaalsContact O-N 3.13Å; N652-L654 PolarHBondContact O-N 3.08Å
653T26.1Very low27.6Very low128 Ų128135.7 Ų135.779%0.78576%0.756SS**  trans-71.667.2166.749.50000110.4P651P651-T653 PolarHBondContact O-N 3.24Å
654L27.7Very low27.6Very low157 Ų157138.4 Ų138.482%0.82277%0.767SS**  trans-111.4105.1168.2-90.3170.5000110.3N652N652-L654 PolarHBondContact O-N 3.08Å
655V26.8Very low27.6Very low117 Ų117139.2 Ų139.271%0.70977%0.766SS**  trans-51.4132.6176.1176.40000111
656N27.2Very low27.6Very low134 Ų134133.2 Ų133.272%0.71777%0.766SS**  trans-136.474.7161.9-106.8-37.3000109.3Y658N656-Y658 HydrophobicContact CB-CE2 4.5Å; N656-Y658 PolarHBondContact O-N 2.77Å; N656-Y658 VanDerWaalsContact O-N 3.11Å
657S24.9Very low27.6Very low88 Ų88137.2 Ų137.262%0.61578%0.779SS**  trans-75.988.9177.451.40000110.8T659S657-T659 VanDerWaalsContact C-N 3.25Å; S657-T659 PolarHBondContact O-N 3.38Å
658Y28.4Very low27.7Very low212 Ų212132.6 Ų132.683%0.83177%0.773SS**  trans-73.177.7170.9-82.5-78.8000111.5N656 A660N656-Y658 HydrophobicContact CB-CE2 4.5Å; N656-Y658 PolarHBondContact O-N 2.77Å; N656-Y658 VanDerWaalsContact O-N 3.11Å; Y658-A660 PolarHBondContact O-N 2.85Å; Y658-A660 VanDerWaalsContact O-N 3.16Å
659T27Very low27.7Very low111 Ų111132.8 Ų132.868%0.68178%0.779SS**  trans-7496.2166.8490000109.8S657 N661S657-T659 VanDerWaalsContact C-N 3.25Å; S657-T659 PolarHBondContact O-N 3.38Å; T659-N661 PolarHBondContact O-N 2.83Å
660A29.6Very low27.4Very low100 Ų100134.2 Ų134.283%0.82678%0.779SS**  trans-73.769.6175.200000111.8Y658 N662Y658-A660 PolarHBondContact O-N 2.85Å; Y658-A660 VanDerWaalsContact O-N 3.16Å; A660-N662 PolarHBondContact O-N 2.8Å
661N25.9Very low27.4Very low146 Ų146135 Ų13578%0.78178%0.783SS**  trans-71.3107.3169.3-87.9-8.3000109.8T659T659-N661 PolarHBondContact O-N 2.83Å
662N28.7Very low27.3Very low147 Ų147135.4 Ų135.479%0.78678%0.78SS**  trans-149.856162.8-109.4-19.2000110.8A660 I664A660-N662 PolarHBondContact O-N 2.8Å; N662-I664 PolarHBondContact O-N 2.88Å
663F26.6Very low27.3Very low213 Ų213137.3 Ų137.393%0.93479%0.785SS**  trans-81.786165.2-106.6-83.5000109.2
664I29Very low27.4Very low146 Ų146138.8 Ų138.875%0.74978%0.78SS**  trans-85129.1161-65.2-179.3000107.7N662N662-I664 PolarHBondContact O-N 2.88Å
665T26.6Very low27.4Very low137 Ų137139 Ų13984%0.8478%0.783SS**  trans-68.3128.8-174.648.80000112.4
666G28.4Very low27.3Very low74 Ų74136.9 Ų136.976%0.76378%0.784SS**  trans-142.893.3172.300000111.7G668G666-G668 PolarHBondContact O-N 2.81Å
667N26Very low27.3Very low183 Ų183139.8 Ų139.898%0.97980%0.796SS**  trans-72.1118.4167.5-86.9-17.2000108.9
668G29.3Very low27.4Very low75 Ų75145 Ų14577%0.77381%0.807SS**  trans-150.2101.4179.600000111.6G666G666-G668 PolarHBondContact O-N 2.81Å
669T25Very low27.3Very low134 Ų134144 Ų14482%0.82281%0.809SS**  trans-77.7149.9169.146.90000110.8
670L27.4Very low27.3Very low156 Ų156146.2 Ų146.282%0.81782%0.816SS**  trans160.8106.1143.6-86.1165.1000107.5
671V28Very low27.2Very low129 Ų129146.9 Ų146.978%0.78281%0.813SS**  85.4133.793.8162.40000113.3
672N26.6Very low27.4Very low111 Ų111151.3 Ų151.359%0.59482%0.82SS**  trans-72.7146.5178.7-61.9-102.7000110.5R419R419-N672 PolarHBondContact NH1-OD1 2.79Å
673E28.2Very low27.3Very low186 Ų186150.3 Ų150.387%0.86982%0.819SS**  -143.7122.1127.7-135.8170.3-144.700111.7
674F28.4Very low27.3Very low158 Ų158145.2 Ų145.269%0.69381%0.805SS**  trans-94.9118.1169.4-105.9-101.6000107.2
675N27.6Very low27.3Very low163 Ų163144.1 Ų144.187%0.87281%0.808SS**  trans-148.8135.8148.8-99-47.3000109.8
676G24.8Very low27.3Very low72 Ų72143.2 Ų143.274%0.74280%0.802SS**  trans-92.6165.2-164.200000114.5
677M26.4Very low27.5Very low195 Ų195150.4 Ų150.496%0.96181%0.808SS**  trans-136.6158.3158.6-108.7179.9-76.100111.3
678K26.5Very low27.6Very low198 Ų198149.8 Ų149.886%0.86180%0.799SS**  trans-83.4168.9-163.3-67173.2178.51740112.7L680K678-L680 PolarHBondContact O-N 3.21Å
679H27.4Very low27.5Very low189 Ų189152.1 Ų152.188%0.87580%0.8SS**  trans-53.5134.1170.3-66.1-109.8000111.7
680L26.7Very low27.9Very low158 Ų158153 Ų15383%0.82780%0.798SS**  trans-133.5130.1163.1-87.2162.2000107.9K678K678-L680 PolarHBondContact O-N 3.21Å
681P27Very low27.8Very low115 Ų115153.3 Ų153.375%0.74780%0.801SS**PPolyproline II helixtrans-76.5140.3173.832.2-32.8000109.8
682Y29.7Very low28.1Very low239 Ų239152.4 Ų152.494%0.93780%0.8SS**PPolyproline II helixtrans-83.7136.6174.1-117.3-89.7000111.4
683V28.2Very low28.1Very low126 Ų126154.3 Ų154.376%0.76482%0.816SS**PPolyproline II helixtrans-83.5137-171.7174.80000110.8
684T26Very low28.2Very low105 Ų105148.9 Ų148.964%0.64481%0.811SS**PPolyproline II helixtrans-73.3133.3169.347.30000110.8T686T684-T686 PolarHBondContact O-N 2.9Å
685P29.3Very low28.1Very low123 Ų123148.4 Ų148.480%0.79982%0.815SS**  trans-70.7102.8175.829.1-33.6000110.8
686T26.9Very low28.3Very low118 Ų118149 Ų14972%0.72481%0.81SS**  trans-82.9113.2169.847.10000109.9T684T684-T686 PolarHBondContact O-N 2.9Å
687Y31.9Very low28.4Very low226 Ų226152.7 Ų152.789%0.88681%0.808SS**  trans-79.1118166.6-99.5-92.3000110
688E27.8Very low28.4Very low170 Ų170149.8 Ų149.879%0.79480%0.802SS**  trans-89.8138.6166.3-67.2-170131.900110.4I690E688-I690 PolarHBondContact O-N 2.89Å
689P28.5Very low28.5Very low123 Ų123145.6 Ų145.680%0.79980%0.797SS**  trans-84.1111.2174.632.2-31.5000110.9N691P689-N691 PolarHBondContact O-N 3.06Å
690I32.4Very low28.5Very low152 Ų152143.4 Ų143.478%0.77980%0.797SS**  trans-82.7113.4173.5-60.7178.2000109.6E688E688-I690 PolarHBondContact O-N 2.89Å
691N26.2Very low28.5Very low164 Ų164139.7 Ų139.788%0.87780%0.797SS**  trans-78.6126.3163-86.4-16.5000109.9P689P689-N691 PolarHBondContact O-N 3.06Å
692S33.2Very low28.4Very low109 Ų109145.4 Ų145.476%0.76281%0.805SS**  trans-145.3107.6162.960.20000111
693T27.4Very low28.2Very low151 Ų151139 Ų13993%0.92680%0.795SS**  trans-74.3140.4173.647.50000111.6
694G30.8Very low28.1Very low73 Ų73139.5 Ų139.575%0.75379%0.794SS**  trans-173.5121.5168.800000111.8
695D26.2Very low28.1Very low147 Ų147137.3 Ų137.379%0.78678%0.783SS**  trans-69.7156.2178.6-56.8-90.4000112.8
696F30.5Very low27.9Very low175 Ų175140 Ų14077%0.76879%0.785SS**  178.8111.7106.9-107.3-88.2000113.6
697Q26.8Very low27.9Very low151 Ų151140.4 Ų140.471%0.70679%0.787SS**  trans45.7120.4139.8-61.5-177.7-6.200123.1
698T27.3Very low27.9Very low134 Ų134136.8 Ų136.882%0.82277%0.773SS**  trans63.8134.3139.862.40000119.2
699S28Very low28Very low109 Ų109136.2 Ų136.276%0.76278%0.776SS**  cis-161.2163.535.750.50000114.7
700T27.1Very low28Very low143 Ų143136 Ų13688%0.87777%0.767SS**  trans-13.7127.1167.552.10000121
701G27.4Very low27.7Very low80 Ų80134.6 Ų134.683%0.82577%0.768SS**  trans-176.1121158.400000113.3
702Y24.7Very low27.8Very low235 Ų235137.2 Ų137.292%0.92277%0.765SS**  trans-95.1132.2177.6-113.4-98.6000110.8
703S25.9Very low27.6Very low104 Ų104139.8 Ų139.873%0.72777%0.769SS**  trans-177.3157.5147.229.30000111.1
704D26.2Very low27.6Very low137 Ų137137.8 Ų137.873%0.73375%0.752SS**  trans-82.5160.3-169.5-66.7-84.4000115.7
705S25.6Very low27.5Very low59 Ų59140.4 Ų140.441%0.41376%0.755SS.*  trans74.196.516975.90000118.5N279N279-S705 PolarHBondContact ND2-OG 2.72Å
706Q25.8Very low27.6Very low181 Ų181138.1 Ų138.185%0.84675%0.747SS**  trans-178.5103.7143.6-104.6153.890.500111.3
707T26.7Very low27.6Very low125 Ų125137.7 Ų137.777%0.76775%0.747SS**  trans-16065.6164.1-32.40000113.3
708Y30.7Very low27.6Very low150 Ų150135.6 Ų135.659%0.58875%0.749SS**  trans-151.661.5163.2-88.9-59.6000110.9L710Y708-L710 PolarHBondContact O-N 3.49Å; Y708-L710 VanDerWaalsContact O-N 3.13Å
709D29.8Very low27.8Very low159 Ų159134.8 Ų134.885%0.8575%0.746SS**  trans-68.8106169.8-70-64.3000110.7
710L29Very low28Very low119 Ų119135.1 Ų135.162%0.62375%0.745SS**  trans-67.6146.9146.7-86.383.9000108Y708 R712Y708-L710 PolarHBondContact O-N 3.49Å; Y708-L710 VanDerWaalsContact O-N 3.13Å; L710-R712 PolarHBondContact O-N 3.46Å
711P27.5Very low28.1Very low121 Ų121135.2 Ų135.279%0.78675%0.746SS**  trans-66.293.4178.427.7-34.8000111I713P711-I713 PolarHBondContact O-N 3.12Å; P711-I713 VanDerWaalsContact O-N 3.1Å
712R26.7Very low28.4Very low220 Ų220138.3 Ų138.383%0.8374%0.742SS**  trans-62.5109.5163.3-87.6-174.7164-179.1-4108.2L710 L714L710-R712 PolarHBondContact O-N 3.46Å; R712-L714 VanDerWaalsContact C-N 3.29Å; R712-L714 HydrophobicContact CB-CD1 4.06Å; R712-L714 PolarHBondContact O-N 3.4Å
713I30.6Very low28.7Very low162 Ų162132.9 Ų132.983%0.83174%0.736SS**  trans-69.490.9169-57.3176.2000107.4P711P711-I713 PolarHBondContact O-N 3.12Å; P711-I713 VanDerWaalsContact O-N 3.1Å
714L27.2Very low28.9Very low110 Ų110136 Ų13658%0.57674%0.744SS**  trans-66.8130.2171.4-105.475.6000109.4R712 T716R712-L714 VanDerWaalsContact C-N 3.29Å; R712-L714 HydrophobicContact CB-CD1 4.06Å; R712-L714 PolarHBondContact O-N 3.4Å; L714-T716 HydrophobicContact CB-CG2 3.99Å; L714-T716 HydrophobicContact CD2-CG2 3.93Å; L714-T716 HydrophobicContact CG-CG2 4.44Å; L714-T716 PolarHBondContact O-N 3.28Å
715P26.9Very low29.3Very low127 Ų127134.8 Ų134.883%0.82574%0.743SS**  trans-8063.7175.833.4-35.4000111.1H717P715-H717 PolarHBondContact O-N 3.4Å
716T28.8Very low29.7Very low99 Ų99138.1 Ų138.161%0.60776%0.763SS**  trans-97.393.6-17344.30000114.4L714L714-T716 HydrophobicContact CB-CG2 3.99Å; L714-T716 HydrophobicContact CD2-CG2 3.93Å; L714-T716 HydrophobicContact CG-CG2 4.44Å; L714-T716 PolarHBondContact O-N 3.28Å
717H30.2Very low29.9Very low167 Ų167137.3 Ų137.377%0.77376%0.764SS**  trans60.7137.3138.6-66.9-80000123.1P715P715-H717 PolarHBondContact O-N 3.4Å
718S27.7Very low30.2Very low106 Ų106137 Ų13774%0.74176%0.764SS**  trans61.2111.3154.448.20000119.1
719P31.9Very low30.2Very low118 Ų118137.6 Ų137.677%0.76678%0.777SS**PPolyproline II helixtrans-73.2150.3163.633.1-34.1000111T721P719-T721 PolarHBondContact O-N 2.95Å
720P32.2Very low30.2Very low115 Ų115132.8 Ų132.875%0.74777%0.765SS**PPolyproline II helixtrans-71.4129.6179.528.8-34.3000111.9I722P720-I722 PolarHBondContact O-N 3.3Å
721T28.6Very low30.2Very low145 Ų145136.4 Ų136.489%0.8978%0.776SS**PPolyproline II helixtrans-70.9122.2172.345.60000111.4P719P719-T721 PolarHBondContact O-N 2.95Å
722I33.7Very low30.2Very low145 Ų145136.6 Ų136.674%0.74477%0.77SS**  trans-128.3135.6173.9-63-179.1000107.5P720P720-I722 PolarHBondContact O-N 3.3Å
723P31.2Very low30.3Very low121 Ų121132 Ų13279%0.78676%0.761SS**PPolyproline II helixtrans-77.7154.1-162.529.7-36.7000115.3
724L30.2Very low30.1Very low171 Ų171131.3 Ų131.390%0.89576%0.759SS**PPolyproline II helixtrans-85.3132.6178.6-74.7158.8000112.5
725P33.6Very low30Very low110 Ų110130.2 Ų130.271%0.71477%0.766SS**PPolyproline II helixtrans-81.5159160.434.4-33000111.6
726P34Very low30Very low130 Ų130129.3 Ų129.384%0.84476%0.763SS**PPolyproline II helixtrans-82.2154.3-172.632.7-36.4000114.8
727L29.9Very low30Very low164 Ų164131 Ų13186%0.85977%0.768SS**PPolyproline II helixtrans-95.5135.9175.3-80.4157.9000112.5
728P33.3Very low29.9Very low119 Ų119128.2 Ų128.277%0.77376%0.763SS**PPolyproline II helixtrans-92.4149.3154.8-6.326000111.6
729N32Very low29.9Very low161 Ų161130 Ų13086%0.86176%0.764SS**PPolyproline II helixtrans-91.7138.9-174.5-69.6-42.9000114.4
730G29.7Very low29.8Very low58 Ų58129.7 Ų129.760%0.59876%0.76SS**  100.7142.9112.500000120.8
731F28.9Very low29.6Very low196 Ų196131 Ų13186%0.8676%0.759SS**  trans66.6142.4145.6-58.6-72.8000120.1
732I27.3Very low29.8Very low125 Ų125130.5 Ų130.564%0.64176%0.756SS**  cis-161149-24.8-143.5-172.2000110.6
733N27.7Very low29.6Very low123 Ų123134.1 Ų134.166%0.65876%0.76SS**  trans55.5149.1153.5-65.3-9.5000125.1
734N27Very low29.7Very low148 Ų148136.4 Ų136.479%0.79177%0.765SS**  trans66.8103.1146-66-1.3000120.1
735A25.8Very low29.6Very low87 Ų87134.3 Ų134.372%0.71976%0.755SS**  101.7147.364.800000114.3
736S26.9Very low29.6Very low107 Ų107137 Ų13775%0.74876%0.757SS**  trans86.8128.5161.280.40000121
737N27.8Very low29.5Very low135 Ų135138 Ų13872%0.72275%0.753SS**  trans77.296.5135-67.21.4000123.5
738T27.6Very low29.6Very low108 Ų108137.8 Ų137.866%0.66375%0.748SS**  71.7151.8119.962.50000121.7
739N29.8Very low29.6Very low145 Ų145138.5 Ų138.578%0.77574%0.74SS**  trans74.1146.5154.3-63.4-19000115.9
740V29Very low29.6Very low110 Ų110137.1 Ų137.167%0.66773%0.733SS**  cis-163.2150.7-3111.40000110
741I28.5Very low29.8Very low142 Ų142139.1 Ų139.173%0.72874%0.738SS**  trans37.4131.1149-53.3165.5000117.7
742T32.7Very low29.9Very low135 Ų135135.4 Ų135.483%0.82873%0.731SS**  -168.1159.182.5-460000113.3
743R28.9Very low30.2Very low222 Ų222136.1 Ų136.184%0.83874%0.736SS**  trans-78.3165.6174.5-56.1168.3175.4162.3-4.8112.9
744L33.3Very low30.3Very low168 Ų168135.4 Ų135.488%0.8874%0.736SS**  trans-153147.4132.8-108162.1000109.9
745N29.1Very low30.6Very low128 Ų128135.1 Ų135.168%0.68473%0.734SS**  trans-128.6-171.5-178-89.5-1.5000108.9
746E31.9Very low31Very low165 Ų165137.4 Ų137.477%0.77173%0.734SS**  trans74.6147.9165.4-62.8148.7-145.600114.5
747M32.4Very low31.2Very low151 Ų151137.5 Ų137.574%0.74473%0.73SS**  cis-155.1-175-8.5-117.6-176.3-62.300108
748E32.4Very low31.5Very low161 Ų161137.1 Ų137.175%0.75273%0.728SS**  cis-152-134.817-147-161.3105.500114.8
749H34.1Very low31.8Very low134 Ų134137.9 Ų137.962%0.6273%0.728SS**  trans-111.2156.9-153.2-93.5-58.3000119.7
750N30.5Very low32.1Very low132 Ų132137.4 Ų137.471%0.70673%0.725SS**  trans60.4166.9134.5-51-14.5000121.2
751S33.6Very low32.3Very low100 Ų100136.7 Ų136.770%0.69973%0.725SS**  cis-157.2134.82.7-3.40000114.5
752T31.3Very low32.6Very low118 Ų118136.4 Ų136.472%0.72473%0.725SS**  trans42.9153.7133.763.20000125.9
753N33.5Very low32.7Very low139 Ų139136 Ų13674%0.74372%0.718SS**  trans85.7141.5146.9-71.8-4.8000121
754T30.3Very low32.9Very low108 Ų108131.3 Ų131.366%0.66371%0.709SS**  cis-173.4166.5-25.214.80000112
755I33.9Very low32.8Very low143 Ų143129.9 Ų129.973%0.73370%0.703SS**  trans89.5137142.3-84161.2000122.2
756N33.8Very low32.9Very low134 Ų134130.5 Ų130.572%0.71771%0.706SS**  trans61.3130.6170.1-64-1.8000118.4
757T31.2Very low32.8Very low110 Ų110127.1 Ų127.168%0.67570%0.701SS**  cis69.8135.547830000113.1
758D33.7Very low32.7Very low127 Ų127126.3 Ų126.368%0.67970%0.699SS**  cis-155.616431.5-110.6-56.2000116.1
759N34.9Very low32.6Very low124 Ų124124.7 Ų124.766%0.66370%0.696SS**  trans62.8123.5147.7-74.9-53.9000126.1
760N34.6Very low32.4Very low134 Ų134124 Ų12472%0.71770%0.697SS**  trans74.396.4130.6-71.3-27.9000124.4
761S34.3Very low32.5Very low95 Ų95124.8 Ų124.866%0.66470%0.696SS**  104141.3104.9790000121.5
762N34.7Very low32.5Very low136 Ų136125.7 Ų125.773%0.72770%0.697SS**  trans74.5114148.8-66.4-11.1000122.1
763N34.9Very low32.6Very low126 Ų126125.7 Ų125.767%0.67470%0.699SS**  trans91.6107.2132.4-64.5-12.8000121.4
764N33.3Very low32.3Very low124 Ų124126.3 Ų126.366%0.66370%0.701SS**  78.8106.2124.3-62.5-12.9000121
765N31Very low32.4Very low138 Ų138129.4 Ų129.474%0.73871%0.713SS**  83.7147.2126.3-62.4-14.8000120.8
766N30.6Very low32Very low141 Ų141129.9 Ų129.975%0.75471%0.714SS**  trans7288.1154.6-65.6-2.7000119.9
767S30.1Very low32Very low95 Ų95130.4 Ų130.466%0.66472%0.722SS**  85.9141.9109760000121
768N30.4Very low31.8Very low133 Ų133130.8 Ų130.871%0.71173%0.725SS**  trans79.9122.7140.1-71.91.4000121.7
769N30Very low31.7Very low127 Ų127132.6 Ų132.668%0.67973%0.733SS**  96.3140.6128.2-70.2-0.2000122
770N30.5Very low31.7Very low120 Ų120131.4 Ų131.464%0.64273%0.733SS**  trans72.7151.6149.8-62.1-4.8000117.8
771H32Very low31.2Very low149 Ų149136 Ų13669%0.6974%0.741SS**  cis-159147.7-11.7-109-29.5000107.8
772V32.8Very low30.9Very low118 Ų118137.9 Ų137.972%0.71574%0.743SS**  54.9133.395.7169.10000113.5
773P34.5Very low30.8Very low118 Ų118141.5 Ų141.577%0.76675%0.752SS**  cis-144.3-174.143.733.1-7.9000120
774L26.7Very low30.6Very low152 Ų152141.5 Ų141.580%0.79676%0.757SS**  trans-55.6162.5179.4-54.398.4000118.9
775L32.7Very low30.3Very low174 Ų174140.4 Ų140.491%0.91177%0.765SS**  -156.6153.7123.7-115.2163.7000112
776M25.2Very low30.3Very low153 Ų153142.4 Ų142.475%0.75477%0.77SS**  trans-109.5147.6179.2-72.2-154.9-58.400112.7
777T33.8Very low30.5Very low145 Ų145140.9 Ų140.989%0.8977%0.77SS**  trans-144158.6146.543.30000110.4
778T27.6Very low30.5Very low117 Ų117142.5 Ų142.572%0.71877%0.77SS**  trans-116154.2-170.248.70000112.6
779L32.1Very low30.3Very low165 Ų165143 Ų14386%0.86477%0.773SS**  162.8154.6128.3-88144.7000111
780P33.2Very low30.4Very low100 Ų100144.2 Ų144.265%0.64978%0.779SS**  trans-102.2177.3-170.340.8-35.9000113.1
781Y25.8Very low30.5Very low229 Ų229146.2 Ų146.290%0.89879%0.79SS**  -161.1157.4128.5-122.3-81.8000113.4
782I27.2Very low30.3Very low135 Ų135146.7 Ų146.769%0.69280%0.796SS**  trans-97148.9-178.5-64.5161.2000110.7T784I782-T784 HydrophobicContact CG2-CG2 4Å
783K32.8Very low30.2Very low213 Ų213148.4 Ų148.493%0.92680%0.801SS**  trans-134.9150.6149.9-105.8-176.8177.9-178.20110.9
784T29.8Very low29.9Very low126 Ų126154.8 Ų154.877%0.77381%0.81SS**  trans-112.5168.3-154.144.70000114.3I782I782-T784 HydrophobicContact CG2-CG2 4Å
785A28.5Very low29.7Very low100 Ų100153.3 Ų153.383%0.82681%0.811SS**  trans-122148.3170.300000111.2
786Q30.6Very low29.6Very low181 Ų181151 Ų15185%0.84680%0.803SS**  trans-159.4151.1173.1-88.9169.3-30.600106.3
787S34.1Very low29.7Very low108 Ų108150.4 Ų150.476%0.75580%0.803SS**  cis-112.3164.7-654.60000110
788I29.6Very low29.5Very low130 Ų130149.7 Ų149.767%0.66780%0.799SS**  cis82.8109.628.8-58.5176000114.4
789N27.8Very low29.5Very low144 Ų144148.4 Ų148.477%0.7780%0.795SS**  trans57.4148.9157.3-60.811.8000118.1
790D30.6Very low29.3Very low152 Ų152147.8 Ų147.881%0.81379%0.791SS**  cis-136.1-160.543.4-82.7-45.3000115.7
791D33.8Very low29.1Very low162 Ų162150.9 Ų150.987%0.86680%0.801SS**  trans76.271.4171.1-71.7-18.8000119.7
792I27.8Very low29.3Very low159 Ų159144.6 Ų144.682%0.81579%0.79SS**  trans-93.3110.1143.2-61.4171.8000108
793N29.7Very low29.7Very low154 Ų154143.5 Ų143.582%0.82479%0.792SS**  trans170.597.2147.1-93.2-40.3000113.3
794R29Very low29.4Very low251 Ų251142.9 Ų142.995%0.94779%0.79SS**  trans-178.9119.6136.5-106.5169.1172.6-178.2-3.6113.1
795C22.4Very low29.4Very low122 Ų122144 Ų14482%0.82479%0.791SS**  trans-119.6-166.8148.6-78.40000106.9
796V30.4Very low29.6Very low124 Ų124148 Ų14875%0.75279%0.794SS**  trans89.397.3173.3-170.80000115
797D27.2Very low29.6Very low141 Ų141145.8 Ų145.875%0.75479%0.788SS**  trans89.2157.3134.5-63.92.7000124.5
798T29.9Very low29.5Very low130 Ų130146.9 Ų146.980%0.79879%0.786SS**  trans53.1113.7172.1550000118.7
799S27.3Very low29.9Very low90 Ų90145.4 Ų145.463%0.62978%0.783SS**  cis106.2122.927.2710000113.5
800I27.6Very low30.3Very low153 Ų153146.4 Ų146.479%0.78578%0.783SS**  trans57.695.1142.6-53.2162.9000117
801L29.9Very low30.7Very low164 Ų164143.7 Ų143.786%0.85977%0.772SS**  -166.7173.1113-137.765.1000112.9
802S30.5Very low30.9Very low97 Ų97141.5 Ų141.568%0.67876%0.76SS**  trans-70.2157.8-167.449.10000117.7
803P33.6Very low31.2Very low112 Ų112137.2 Ų137.273%0.72774%0.743SS**  trans-87.9165.4174.338-37000113.4
804F27.6Very low31.5Very low200 Ų200132.9 Ų132.988%0.87773%0.729SS**  trans-174.3155.5142.4-111.2-67.4000113.6
805L28.9Very low31.9Very low151 Ų151123.8 Ų123.879%0.79171%0.708SS**  trans77.4140.6158.4-67160.1000121.1
806M32.4Very low32.6Very low182 Ų182124 Ų12490%0.89770%0.698SS**  trans69.3135.1165.3-69.1-178.217900117.6
807N32.2Very low33Very low136 Ų136121.1 Ų121.173%0.72768%0.684SS**  cis-154.5123.4-1.6-173.415000111.5
808D31.7Very low33.5Very low131 Ų131119.2 Ų119.270%0.70168%0.677SS**  trans-104.8120.3178.9-106.1-55.8000111.6T811D808-T811 PolarHBondContact OD1-OG1 3.26Å
809T37.3Very low33.9Very low98 Ų98116.1 Ų116.160%0.60167%0.665SS**SBendtrans-151.1-40.5172.643.20000114.6
810Q37.7Very low34.5Very low165 Ų165114.5 Ų114.577%0.77166%0.657SS**Hα-helixtrans-79.1-37.1-172.7-67.3-173.2-9.900113.8L812 S813Q810-L812 VanDerWaalsContact C-N 3.31Å; Q810-L812 PolarHBondContact O-N 3.19Å; Q810-S813 PolarHBondContact O-N 3.07Å; Q810-S813 PolarHBondContact O-OG 3.12Å
811T38.9Very low35Very low96 Ų96109.9 Ų109.959%0.58964%0.642SS**Hα-helixtrans-52.2-44176.539.40000113D808 S813 A814D808-T811 PolarHBondContact OD1-OG1 3.26Å; T811-S813 VanDerWaalsContact C-N 3.34Å; T811-S813 PolarHBondContact O-N 3.44Å; T811-A814 PolarHBondContact O-N 3.35Å
812L36.1Very low35.4Very low116 Ų116105.1 Ų105.161%0.60763%0.626SS**Hα-helixtrans-64.5-35.9-177-15175.1000112.8Q810 A814 A815 M816Q810-L812 VanDerWaalsContact C-N 3.31Å; Q810-L812 PolarHBondContact O-N 3.19Å; L812-A814 VanDerWaalsContact C-N 3.31Å; L812-A814 PolarHBondContact O-N 2.82Å; L812-A815 PolarHBondContact O-N 3.46Å; L812-M816 HydrophobicContact CD2-SD 4.27Å; L812-M816 HydrophobicContact CG-SD 4.32Å; L812-M816 WeakPolarHBondContact O-CG 3.35Å; L812-M816 PolarHBondContact O-N 3.27Å
813S35.5Very low35.8Very low68 Ų68103.1 Ų103.148%0.47662%0.615SS.*Hα-helixtrans-64.3-32.6-17773.40000113.5Q810 T811 S817Q810-S813 PolarHBondContact O-N 3.07Å; Q810-S813 PolarHBondContact O-OG 3.12Å; T811-S813 VanDerWaalsContact C-N 3.34Å; T811-S813 PolarHBondContact O-N 3.44Å; S813-S817 WeakPolarHBondContact O-CB 3.32Å; S813-S817 PolarHBondContact O-N 2.99Å; S813-S817 VanDerWaalsContact O-N 3.09Å; S813-S817 PolarHBondContact O-OG 3.32Å
814A36.6Very low36.1Very low63 Ų63102.1 Ų102.152%0.52161%0.607SS.*Hα-helixtrans-70.7-42.7177.300000111.7T811 L812 S817 T818T811-A814 PolarHBondContact O-N 3.35Å; L812-A814 VanDerWaalsContact C-N 3.31Å; L812-A814 PolarHBondContact O-N 2.82Å; A814-S817 WeakPolarHBondContact O-CB 3.45Å; A814-S817 PolarHBondContact O-N 3.24Å; A814-T818 PolarHBondContact O-N 3.34Å
815A36.6Very low36.7Very low61 Ų6198.3 Ų98.350%0.50460%0.595SS.*Hα-helixtrans-68-39.4176.500000112.4L812 S817 T818 A819L812-A815 PolarHBondContact O-N 3.46Å; A815-S817 VanDerWaalsContact C-N 3.29Å; A815-S817 PolarHBondContact O-N 2.91Å; A815-T818 PolarHBondContact O-N 3.41Å; A815-T818 PolarHBondContact O-OG1 3.17Å; A815-A819 PolarHBondContact O-N 3Å; A815-A819 VanDerWaalsContact O-N 3.14Å
816M37Very low37.2Very low125 Ų12596.4 Ų96.462%0.61659%0.586SS**Hα-helixtrans-65.2-33174-68.5-179.775.500112.2L812 A820L812-M816 HydrophobicContact CD2-SD 4.27Å; L812-M816 HydrophobicContact CG-SD 4.32Å; L812-M816 WeakPolarHBondContact O-CG 3.35Å; L812-M816 PolarHBondContact O-N 3.27Å; M816-A820 WeakPolarHBondContact O-CB 3.48Å; M816-A820 PolarHBondContact O-N 3.33Å
817S38.1Very low37.7Very low64 Ų6493.5 Ų93.545%0.44857%0.574SS.*Hα-helixtrans-66.8-40.3177.5-62.90000112.9S813 A814 A815 A821S813-S817 WeakPolarHBondContact O-CB 3.32Å; S813-S817 PolarHBondContact O-N 2.99Å; S813-S817 VanDerWaalsContact O-N 3.09Å; S813-S817 PolarHBondContact O-OG 3.32Å; A814-S817 WeakPolarHBondContact O-CB 3.45Å; A814-S817 PolarHBondContact O-N 3.24Å; A815-S817 VanDerWaalsContact C-N 3.29Å; A815-S817 PolarHBondContact O-N 2.91Å; S817-A821 PolarHBondContact O-N 2.94Å
818T39.3Very low37.9Very low102 Ų10293.3 Ų93.363%0.62657%0.568SS**Hα-helixtrans-73.4-37.2177.449.10000112.1A814 A815 A821 A822A814-T818 PolarHBondContact O-N 3.34Å; A815-T818 PolarHBondContact O-N 3.41Å; A815-T818 PolarHBondContact O-OG1 3.17Å; T818-A821 PolarHBondContact O-N 2.95Å; T818-A822 PolarHBondContact O-N 3.04Å
819A37.3Very low38.3Very low64 Ų6493.4 Ų93.453%0.52957%0.566SS.*Hα-helixtrans-61.9-42.7172.500000112.3A815 A821 A822 A823A815-A819 PolarHBondContact O-N 3Å; A815-A819 VanDerWaalsContact O-N 3.14Å; A819-A821 PolarHBondContact O-N 2.99Å; A819-A822 PolarHBondContact O-N 3.5Å; A819-A823 PolarHBondContact O-N 3.04Å; A819-A823 VanDerWaalsContact O-N 3.09Å
820A38.9Very low38.4Very low56 Ų5696.3 Ų96.346%0.46357%0.57SS.*Hα-helixtrans-62.2-39.4177.100000112.8M816 A823 T824M816-A820 WeakPolarHBondContact O-CB 3.48Å; M816-A820 PolarHBondContact O-N 3.33Å; A820-A823 PolarHBondContact O-N 3.3Å; A820-T824 PolarHBondContact O-N 3.27Å; A820-T824 VanDerWaalsContact O-N 3.13Å; A820-T824 PolarHBondContact O-OG1 3.4Å
821A38.5Very low38.4Very low57 Ų5795.3 Ų95.347%0.47157%0.565SS.*Hα-helixtrans-66.7-33.3176.700000113.2S817 T818 A819 T824S817-A821 PolarHBondContact O-N 2.94Å; T818-A821 PolarHBondContact O-N 2.95Å; A819-A821 PolarHBondContact O-N 2.99Å; A821-T824 PolarHBondContact O-OG1 3.04Å; A821-T824 VanDerWaalsContact O-OG1 3.13Å
822A37.9Very low38.4Very low64 Ų6497.6 Ų97.653%0.52957%0.569SS.*Hα-helixtrans-70.1-35.8172.500000112.1T818 A819 N826T818-A822 PolarHBondContact O-N 3.04Å; A819-A822 PolarHBondContact O-N 3.5Å; A822-N826 PolarHBondContact O-N 3.33Å
823A40.2Very low38.5Very low55 Ų55100.3 Ų100.346%0.45558%0.579SS.*Hα-helixtrans-68.6-40.6179.500000113.2A819 A820 N826 L827A819-A823 PolarHBondContact O-N 3.04Å; A819-A823 VanDerWaalsContact O-N 3.09Å; A820-A823 PolarHBondContact O-N 3.3Å; A823-N826 PolarHBondContact O-N 2.9Å; A823-L827 PolarHBondContact O-N 3.43Å; A823-L827 VanDerWaalsContact O-N 3.1Å
824T40.3Very low38.5Very low90 Ų90105 Ų10555%0.55259%0.593SS**Hα-helixtrans-66.4-37.317848.20000112.7A820 A821 N826 L827 H828A820-T824 PolarHBondContact O-N 3.27Å; A820-T824 VanDerWaalsContact O-N 3.13Å; A820-T824 PolarHBondContact O-OG1 3.4Å; A821-T824 PolarHBondContact O-OG1 3.04Å; A821-T824 VanDerWaalsContact O-OG1 3.13Å; T824-N826 VanDerWaalsContact C-N 3.32Å; T824-N826 PolarHBondContact O-N 3.28Å; T824-L827 PolarHBondContact O-N 3.39Å; T824-H828 PolarHBondContact O-N 3.01Å
825L39.9Very low38.3Very low121 Ų121111.8 Ų111.863%0.63461%0.607SS**Hα-helixtrans-59.7-40.8173.3-111.4164.7000112.4H828 M829L825-H828 PolarHBondContact O-N 3.49Å; L825-M829 PolarHBondContact O-N 3.31Å
826N38.8Very low38Very low110 Ų110118.8 Ų118.859%0.58863%0.626SS**Hα-helixtrans-72.7-32.2-179.9-147.5-15.7000112.3A822 A823 T824A822-N826 PolarHBondContact O-N 3.33Å; A823-N826 PolarHBondContact O-N 2.9Å; T824-N826 VanDerWaalsContact C-N 3.32Å; T824-N826 PolarHBondContact O-N 3.28Å
827L42.8Very low37.6Very low122 Ų122120.5 Ų120.564%0.63964%0.638SS**Hα-helixtrans-67-40.3170.2-92.3163.1000112.6A823 T824 K830 H831A823-L827 PolarHBondContact O-N 3.43Å; A823-L827 VanDerWaalsContact O-N 3.1Å; T824-L827 PolarHBondContact O-N 3.39Å; L827-K830 PolarHBondContact O-N 2.87Å; L827-H831 PolarHBondContact O-N 3.38Å
828H37.5Very low37.4Very low131 Ų131122.2 Ų122.261%0.60665%0.65SS**Hα-helixtrans-66.7-39.6-177.2-147.277.8000112.5T824 L825 K830 H831T824-H828 PolarHBondContact O-N 3.01Å; L825-H828 PolarHBondContact O-N 3.49Å; H828-K830 VanDerWaalsContact C-N 3.33Å; H828-K830 PolarHBondContact O-N 2.9Å; H828-H831 PolarHBondContact O-N 2.83Å
829M39Very low37Very low133 Ų133124.2 Ų124.266%0.65566%0.657SS**Hα-helixtrans-66.7-30.2175.1-72.7-149.1-7500113.6L825 H831L825-M829 PolarHBondContact O-N 3.31Å; M829-H831 VanDerWaalsContact C-N 3.3Å; M829-H831 PolarHBondContact O-N 2.89Å
830K39.3Very low36.8Very low159 Ų159128.3 Ų128.369%0.69166%0.664SS**Hα-helixtrans-67.3-29.1174.4-107.3-179.5178.6176.10113.2L827 H828L827-K830 PolarHBondContact O-N 2.87Å; H828-K830 VanDerWaalsContact C-N 3.33Å; H828-K830 PolarHBondContact O-N 2.9Å
831H38.6Very low36.4Very low145 Ų145131.7 Ų131.767%0.67168%0.675SS**Hα-helixtrans-80.9-18.6-174.5-141.3-51.5000114.2L827 H828 M829L827-H831 PolarHBondContact O-N 3.38Å; H828-H831 PolarHBondContact O-N 2.83Å; M829-H831 VanDerWaalsContact C-N 3.3Å; M829-H831 PolarHBondContact O-N 2.89Å
832Q39Very low36.1Very low144 Ų144141 Ų14167%0.67370%0.698SS**Hα-helixtrans-85-18.1178.1-67.3-169.7-6.700113.9Q834Q832-Q834 PolarHBondContact O-N 3.06Å
833Q36.7Very low35.8Very low172 Ų172145.6 Ų145.680%0.80471%0.714SS**THydrogen-bonded Turntrans-74.6-0.3-175.8-74.1-170.1-27.900115.6
834Q36.8Very low35.6Very low166 Ų166148.1 Ų148.178%0.77673%0.725SS**THydrogen-bonded Turntrans-101.4-5.7-179.9-75.9-172.2-39.800115.4Q832Q832-Q834 PolarHBondContact O-N 3.06Å
835Y31.6Very low35.1Very low207 Ų207151 Ų15181%0.81274%0.736SS**SBendtrans-103.1-1.8-166.2-114.4-81.3000117.5
836F30.2Very low34.6Very low207 Ų207152.1 Ų152.191%0.90874%0.741SS**  trans-124.289.7178.6-92.2-85000112.1
837N29Very low33.9Very low162 Ų162154.7 Ų154.787%0.86675%0.75SS**  trans-156.656.5173.4-148.64000114.6
838S33Very low33.4Very low100 Ų100156.7 Ų156.770%0.69976%0.756SS**  trans-160.3143160.759.10000113.5
839N32.1Very low33.2Very low144 Ų144155.5 Ų155.577%0.7775%0.754SS**  trans62.8151.6162.9-56.3-28.9000120
840H33.1Very low32.8Very low149 Ų149156.2 Ų156.269%0.6976%0.756SS**  -163.2138.2-50.9-125.6-37.3000110.3
841N30.5Very low32.2Very low128 Ų128155.5 Ų155.568%0.68475%0.754SS**  trans35.5116.1149.9-54.2-6000121
842R30.9Very low31.6Very low251 Ų251158.6 Ų158.695%0.94777%0.766SS**  -173167.4100.6-98.2169.1-176.5-1721.2112.6
843N32.2Very low31Very low162 Ų162156.6 Ų156.687%0.86676%0.764SS**  trans-112.2168.4-155.2-104.2-0.3000115.7
844P37.4Very low30.6Very low108 Ų108156.8 Ų156.870%0.70177%0.765SS**  trans-106.2-169.8-172.943.5-37.3000114.1
845I29.8Very low30.1Very low149 Ų149156.3 Ų156.376%0.76477%0.768SS**  trans-170.2123.2158.6-94.4142.9000107
846L28.5Very low30Very low145 Ų145151.2 Ų151.276%0.75976%0.755SS**  168.714790.2-128.6168.8000107
847Q24.5Very low30.3Very low164 Ų164147.1 Ų147.177%0.76675%0.747SS**  cis111.453.9-10.4-56.5-167.8-101.400122
848H31.9Very low30.8Very low164 Ų164144.8 Ų144.876%0.75973%0.734SS**  trans-154.3153.4157.9-103.738.9000109.7
849N32.9Very low31Very low107 Ų107143.8 Ų143.857%0.57272%0.721SS**  cis172.4160.6-10.3-985.3000104.5
850Q30.8Very low31.1Very low148 Ų148144.7 Ų144.769%0.69272%0.718SS**  cis-161.8161.1-12.1-115178.6-12.800111.2
851H26.9Very low31.2Very low143 Ų143143.9 Ų143.966%0.66272%0.716SS**  trans17.8132.7159.1-61.4-68.8000123.9
852F26.1Very low31.8Very low210 Ų210142.2 Ų142.292%0.92171%0.706SS**  -143.3159112.6-113.6-82.2000110
853T26.8Very low32.3Very low102 Ų102134.4 Ų134.463%0.62669%0.687SS**  trans-145.7165.8-169.150.90000114.1
854Q26.9Very low32.6Very low176 Ų176132.6 Ų132.682%0.82267%0.673SS**  trans81.795.5170.4-57.6179.2-44.200117.4
855N27.3Very low33.2Very low157 Ų157132.4 Ų132.484%0.8467%0.666SS**  -170.5-179.7107-97.6-29.8000112.4
856N30.4Very low34.2Very low99 Ų99131.1 Ų131.153%0.52966%0.657SS.*  trans78.389.2175.6-62.1-1000118.2N858 D859N856-N858 VanDerWaalsContact C-N 3.34Å; N856-D859 HydrophobicContact CB-CB 4.1Å; N856-D859 VanDerWaalsContact CB-OD2 3.23Å; N856-D859 WeakPolarHBondContact CB-OD2 3.47Å; N856-D859 PolarHBondContact ND2-OD1 2.93Å; N856-D859 PolarHBondContact ND2-OD2 3.47Å
857T35Very low35.2Very low121 Ų121129.2 Ų129.274%0.74265%0.647SS**Hα-helixtrans-71.6-25.7158.242.90000113.3
858N40.4Very low36.8Very low114 Ų114125.8 Ų125.861%0.6163%0.633SS**Hα-helixtrans-72.1-40.2-176.2-66.41000112.1N856 K860 M861 I862N856-N858 VanDerWaalsContact C-N 3.34Å; N858-K860 PolarHBondContact O-N 2.88Å; N858-M861 WeakPolarHBondContact O-CA 3.27Å; N858-M861 WeakPolarHBondContact O-CB 3.34Å; N858-M861 PolarHBondContact O-N 3.06Å; N858-I862 PolarHBondContact O-N 2.89Å; N858-I862 VanDerWaalsContact O-N 3.09Å
859D37.6Very low37.9Very low78 Ų78121.2 Ų121.242%0.41761%0.614SS.*Hα-helixtrans-60.2-36.4179.3-61.4-4.4000111.7N856 M861 I862 V863N856-D859 HydrophobicContact CB-CB 4.1Å; N856-D859 VanDerWaalsContact CB-OD2 3.23Å; N856-D859 WeakPolarHBondContact CB-OD2 3.47Å; N856-D859 PolarHBondContact ND2-OD1 2.93Å; N856-D859 PolarHBondContact ND2-OD2 3.47Å; D859-M861 VanDerWaalsContact C-N 3.27Å; D859-M861 PolarHBondContact O-N 3.06Å; D859-I862 PolarHBondContact O-N 3.03Å; D859-V863 WeakPolarHBondContact O-CB 3.35Å; D859-V863 WeakPolarHBondContact O-CG2 3.49Å; D859-V863 PolarHBondContact O-N 2.84Å
860K33.7Very low38.9Very low164 Ų164121.1 Ų121.171%0.71361%0.613SS**Hα-helixtrans-60.5-35.4172.8-83.3-172173.3-179.90112.6N858 Q864N858-K860 PolarHBondContact O-N 2.88Å; K860-Q864 WeakPolarHBondContact O-CB 3.39Å; K860-Q864 PolarHBondContact O-N 2.81Å
861M34.3Very low40.3Very low132 Ų132118.1 Ų118.165%0.6560%0.6SS**Hα-helixtrans-73.7-38.2178.1-141.6178.6-161.100111.7N858 D859 Q864 N865N858-M861 WeakPolarHBondContact O-CA 3.27Å; N858-M861 WeakPolarHBondContact O-CB 3.34Å; N858-M861 PolarHBondContact O-N 3.06Å; D859-M861 VanDerWaalsContact C-N 3.27Å; D859-M861 PolarHBondContact O-N 3.06Å; M861-Q864 PolarHBondContact O-N 3.16Å; M861-N865 WeakPolarHBondContact O-CB 3.44Å; M861-N865 PolarHBondContact O-N 3.3Å
862I42.9Very low41.9Very low92 Ų92115.1 Ų115.147%0.47259%0.592SS.*Hα-helixtrans-64.6-50.8174.9-63.7168.5000110.3N858 D859 Q864 N865 Q866N858-I862 PolarHBondContact O-N 2.89Å; N858-I862 VanDerWaalsContact O-N 3.09Å; D859-I862 PolarHBondContact O-N 3.03Å; I862-Q864 VanDerWaalsContact C-N 3.32Å; I862-Q864 PolarHBondContact O-N 3.01Å; I862-N865 PolarHBondContact O-N 3.13Å; I862-Q866 WeakPolarHBondContact O-CG 3.47Å; I862-Q866 PolarHBondContact O-N 2.79Å
863V42.2Very low43.5Very low88 Ų88112.7 Ų112.753%0.53358%0.577SS.*Hα-helixtrans-61.8-39177.5172.30000111.3D859 Q866 L867D859-V863 WeakPolarHBondContact O-CB 3.35Å; D859-V863 WeakPolarHBondContact O-CG2 3.49Å; D859-V863 PolarHBondContact O-N 2.84Å; V863-Q866 PolarHBondContact O-N 2.88Å; V863-L867 VanDerWaalsContact O-CB 3.29Å; V863-L867 WeakPolarHBondContact O-CB 3.4Å; V863-L867 PolarHBondContact O-N 3.4Å
864Q38.8Very low45.1Very low123 Ų123112.7 Ų112.758%0.57557%0.57SS**Hα-helixtrans-66.8-39.7177.2-173.6168.86.600112.4K860 M861 I862 L867 I868K860-Q864 WeakPolarHBondContact O-CB 3.39Å; K860-Q864 PolarHBondContact O-N 2.81Å; M861-Q864 PolarHBondContact O-N 3.16Å; I862-Q864 VanDerWaalsContact C-N 3.32Å; I862-Q864 PolarHBondContact O-N 3.01Å; Q864-L867 PolarHBondContact O-N 2.92Å; Q864-I868 HydrophobicContact CG-CD1 4.32Å; Q864-I868 WeakPolarHBondContact O-CD1 3.29Å; Q864-I868 VanDerWaalsContact O-CG1 3.27Å; Q864-I868 WeakPolarHBondContact O-CG1 3.38Å; Q864-I868 PolarHBondContact O-N 3.19Å
865N49.8Very low46.6Very low104 Ų104108.7 Ų108.756%0.55655%0.554SS**Hα-helixtrans-69.3-40.1174.9-74.2-15.5000112.3M861 I862 I868 D869M861-N865 WeakPolarHBondContact O-CB 3.44Å; M861-N865 PolarHBondContact O-N 3.3Å; I862-N865 PolarHBondContact O-N 3.13Å; N865-I868 PolarHBondContact O-N 3.44Å; N865-D869 PolarHBondContact O-N 3.31Å
866Q51.1Low48.4Very low123 Ų123106.1 Ų106.158%0.57554%0.54SS*.Hα-helixtrans-62.1-42.4173.4-75.1178.2-15.600111.7I862 V863 I868 D869 L870I862-Q866 WeakPolarHBondContact O-CG 3.47Å; I862-Q866 PolarHBondContact O-N 2.79Å; V863-Q866 PolarHBondContact O-N 2.88Å; Q866-I868 VanDerWaalsContact C-N 3.31Å; Q866-I868 PolarHBondContact O-N 3.27Å; Q866-D869 PolarHBondContact O-N 3.1Å; Q866-L870 WeakPolarHBondContact O-CB 3.48Å; Q866-L870 PolarHBondContact O-N 3.31Å
867L48.8Very low49.8Very low105 Ų105107 Ų10755%0.5554%0.539SS..Hα-helixtrans-62.7-37.7175.7-168.874000111.8V863 Q864 I871V863-L867 VanDerWaalsContact O-CB 3.29Å; V863-L867 WeakPolarHBondContact O-CB 3.4Å; V863-L867 PolarHBondContact O-N 3.4Å; Q864-L867 PolarHBondContact O-N 2.92Å; L867-I871 HydrophobicContact CD2-CD1 4.46Å; L867-I871 HydrophobicContact CG-CD1 4Å; L867-I871 WeakPolarHBondContact O-CB 3.47Å; L867-I871 WeakPolarHBondContact O-CD1 3.29Å; L867-I871 VanDerWaalsContact O-CG1 3.22Å; L867-I871 WeakPolarHBondContact O-CG1 3.05Å; L867-I871 PolarHBondContact O-N 3.38Å
868I58.4Low50.6Low91 Ų91105 Ų10547%0.46752%0.524SS..Hα-helixtrans-64.8-47.7175.4-71.4163.8000111Q864 N865 Q866 L870 I871 T872Q864-I868 HydrophobicContact CG-CD1 4.32Å; Q864-I868 WeakPolarHBondContact O-CD1 3.29Å; Q864-I868 VanDerWaalsContact O-CG1 3.27Å; Q864-I868 WeakPolarHBondContact O-CG1 3.38Å; Q864-I868 PolarHBondContact O-N 3.19Å; N865-I868 PolarHBondContact O-N 3.44Å; Q866-I868 VanDerWaalsContact C-N 3.31Å; Q866-I868 PolarHBondContact O-N 3.27Å; I868-L870 VanDerWaalsContact C-N 3.33Å; I868-L870 PolarHBondContact O-N 3.5Å; I868-I871 PolarHBondContact O-N 2.79Å; I868-T872 PolarHBondContact O-N 2.79Å; I868-T872 PolarHBondContact O-OG1 3.36Å; I868-T872 VanDerWaalsContact O-OG1 3.06Å
869D54.3Low51.4Low69 Ų69105.1 Ų105.137%0.36952%0.521SS..Hα-helixtrans-58-46.2176.1-179.222.7000111N865 Q866 I871 T872 R873N865-D869 PolarHBondContact O-N 3.31Å; Q866-D869 PolarHBondContact O-N 3.1Å; D869-I871 PolarHBondContact O-N 3.26Å; D869-T872 VanDerWaalsContact CA-OG1 3.3Å; D869-T872 WeakPolarHBondContact CA-OG1 3.45Å; D869-T872 PolarHBondContact O-N 2.81Å; D869-T872 VanDerWaalsContact O-N 3.14Å; D869-T872 PolarHBondContact O-OG1 2.79Å; D869-R873 WeakPolarHBondContact O-CG 3.37Å; D869-R873 PolarHBondContact O-N 3.48Å; D869-R873 IonicContact OD1-CZ 2.92Å; D869-R873 IonicContact OD1-NE 3.4Å; D869-R873 PolarHBondContact OD1-NE 3.35Å; D869-R873 IonicContact OD1-NH2 3.51Å; D869-R873 IonicContact OD2-CZ 3.76Å; D869-R873 IonicContact OD2-NE 2.89Å; D869-R873 PolarHBondContact OD2-NE 2.95Å; D869-R873 IonicContact OD2-NH2 3.35Å; D869-R873 PolarHBondContact OD2-NH2 3.39Å
870L54.9Low52.3Low104 Ų104106.4 Ų106.455%0.54553%0.525SS..Hα-helixtrans-60.6-41.7177.5-131.9144.1000112.2Q866 I868 R873 Q874Q866-L870 WeakPolarHBondContact O-CB 3.48Å; Q866-L870 PolarHBondContact O-N 3.31Å; I868-L870 VanDerWaalsContact C-N 3.33Å; I868-L870 PolarHBondContact O-N 3.5Å; L870-R873 PolarHBondContact O-N 2.9Å; L870-Q874 VanDerWaalsContact O-CB 3.32Å; L870-Q874 WeakPolarHBondContact O-CB 3.42Å; L870-Q874 PolarHBondContact O-N 3.2Å
871I59.5Low53Low85 Ų85102.2 Ų102.244%0.43651%0.509SS..Hα-helixtrans-66.4-39.8174.3-70.9165.6000111.4L867 I868 D869 Q874 N875L867-I871 HydrophobicContact CD2-CD1 4.46Å; L867-I871 HydrophobicContact CG-CD1 4Å; L867-I871 WeakPolarHBondContact O-CB 3.47Å; L867-I871 WeakPolarHBondContact O-CD1 3.29Å; L867-I871 VanDerWaalsContact O-CG1 3.22Å; L867-I871 WeakPolarHBondContact O-CG1 3.05Å; L867-I871 PolarHBondContact O-N 3.38Å; I868-I871 PolarHBondContact O-N 2.79Å; D869-I871 PolarHBondContact O-N 3.26Å; I871-Q874 PolarHBondContact O-N 3.15Å; I871-N875 WeakPolarHBondContact O-CB 3.43Å; I871-N875 VanDerWaalsContact O-CG 3.29Å; I871-N875 PolarHBondContact O-N 3.28Å; I871-N875 PolarHBondContact O-ND2 2.8Å
872T60.2Low54Low80 Ų80100.9 Ų100.949%0.49150%0.501SS..Hα-helixtrans-67-37.2175.140.50000112.6I868 D869 N875 L876I868-T872 PolarHBondContact O-N 2.79Å; I868-T872 PolarHBondContact O-OG1 3.36Å; I868-T872 VanDerWaalsContact O-OG1 3.06Å; D869-T872 VanDerWaalsContact CA-OG1 3.3Å; D869-T872 WeakPolarHBondContact CA-OG1 3.45Å; D869-T872 PolarHBondContact O-N 2.81Å; D869-T872 VanDerWaalsContact O-N 3.14Å; D869-T872 PolarHBondContact O-OG1 2.79Å; T872-N875 PolarHBondContact O-N 2.68Å; T872-L876 WeakPolarHBondContact O-CB 3.42Å; T872-L876 PolarHBondContact O-N 2.65Å
873R61Low54.6Low159 Ų159101.1 Ų101.160%0.650%0.504SS*.Hα-helixtrans-68.1-41.5173.5-67.4179.3-163.1-152.310.8111.9D869 L870 N875 L876 F877D869-R873 WeakPolarHBondContact O-CG 3.37Å; D869-R873 PolarHBondContact O-N 3.48Å; D869-R873 IonicContact OD1-CZ 2.92Å; D869-R873 IonicContact OD1-NE 3.4Å; D869-R873 PolarHBondContact OD1-NE 3.35Å; D869-R873 IonicContact OD1-NH2 3.51Å; D869-R873 IonicContact OD2-CZ 3.76Å; D869-R873 IonicContact OD2-NE 2.89Å; D869-R873 PolarHBondContact OD2-NE 2.95Å; D869-R873 IonicContact OD2-NH2 3.35Å; D869-R873 PolarHBondContact OD2-NH2 3.39Å; L870-R873 PolarHBondContact O-N 2.9Å; R873-N875 VanDerWaalsContact C-N 3.34Å; R873-N875 PolarHBondContact O-N 3.02Å; R873-L876 PolarHBondContact O-N 3Å; R873-F877 VanDerWaalsContact O-CB 3.27Å; R873-F877 WeakPolarHBondContact O-CB 3.43Å; R873-F877 PolarHBondContact O-N 3.23Å
874Q59.8Low55.1Low102 Ų102103.6 Ų103.648%0.47751%0.512SS..Hα-helixtrans-60.4-43.9174.2-169.17959.200111.1L870 I871 N878L870-Q874 VanDerWaalsContact O-CB 3.32Å; L870-Q874 WeakPolarHBondContact O-CB 3.42Å; L870-Q874 PolarHBondContact O-N 3.2Å; I871-Q874 PolarHBondContact O-N 3.15Å; Q874-N878 VanDerWaalsContact O-CB 3.32Å; Q874-N878 WeakPolarHBondContact O-CB 3.37Å; Q874-N878 PolarHBondContact O-N 3.06Å; Q874-N878 PolarHBondContact O-ND2 2.84Å; Q874-N878 PolarHBondContact O-OD1 3.3Å
875N58.9Low55.4Low93 Ų93104.9 Ų104.950%0.49752%0.518SS..Hα-helixtrans-69.2-40.4177.4-73.8-21.1000112.4I871 T872 R873 N878 Q879I871-N875 WeakPolarHBondContact O-CB 3.43Å; I871-N875 VanDerWaalsContact O-CG 3.29Å; I871-N875 PolarHBondContact O-N 3.28Å; I871-N875 PolarHBondContact O-ND2 2.8Å; T872-N875 PolarHBondContact O-N 2.68Å; R873-N875 VanDerWaalsContact C-N 3.34Å; R873-N875 PolarHBondContact O-N 3.02Å; N875-N878 PolarHBondContact O-N 3.11Å; N875-Q879 VanDerWaalsContact O-CB 3.3Å; N875-Q879 WeakPolarHBondContact O-CB 3.5Å; N875-Q879 PolarHBondContact O-N 3.11Å
876L65.2Low55.3Low103 Ų103109.5 Ų109.554%0.53954%0.536SS..Hα-helixtrans-64.9-40.7175.5-170.471.7000111.3T872 R873 Q879 Q880T872-L876 WeakPolarHBondContact O-CB 3.42Å; T872-L876 PolarHBondContact O-N 2.65Å; R873-L876 PolarHBondContact O-N 3Å; L876-Q879 PolarHBondContact O-N 3.37Å; L876-Q880 WeakPolarHBondContact O-CB 3.48Å; L876-Q880 WeakPolarHBondContact O-CG 3.38Å; L876-Q880 PolarHBondContact O-N 3.03Å
877F59.2Low55.5Low117 Ų117108.9 Ų108.951%0.51353%0.534SS..Hα-helixtrans-64.9-44.9174-179.8-98000111.7R873 Q879 Q880 L881R873-F877 VanDerWaalsContact O-CB 3.27Å; R873-F877 WeakPolarHBondContact O-CB 3.43Å; R873-F877 PolarHBondContact O-N 3.23Å; F877-Q879 VanDerWaalsContact C-N 3.29Å; F877-Q879 PolarHBondContact O-N 3.01Å; F877-Q880 PolarHBondContact O-N 3.29Å; F877-L881 HydrophobicContact CE1-CD1 4.13Å; F877-L881 HydrophobicContact CZ-CD1 4.02Å; F877-L881 WeakPolarHBondContact O-CB 3.47Å; F877-L881 PolarHBondContact O-N 3.46Å
878N52.8Low55.8Low78 Ų78109.1 Ų109.142%0.41753%0.534SS..Hα-helixtrans-62.6-36.7175.2-70.8-11.5000111.9Q874 N875 L881 H882Q874-N878 VanDerWaalsContact O-CB 3.32Å; Q874-N878 WeakPolarHBondContact O-CB 3.37Å; Q874-N878 PolarHBondContact O-N 3.06Å; Q874-N878 PolarHBondContact O-ND2 2.84Å; Q874-N878 PolarHBondContact O-OD1 3.3Å; N875-N878 PolarHBondContact O-N 3.11Å; N878-L881 PolarHBondContact O-N 3.26Å; N878-H882 WeakPolarHBondContact O-CB 3.39Å; N878-H882 PolarHBondContact O-N 3.14Å
879Q57.2Low55.7Low117 Ų117110.1 Ų110.155%0.54754%0.537SS..Hα-helixtrans-70-44.4175.8-174.6171.3-600111.2N875 L876 F877 L881 H882 D883N875-Q879 VanDerWaalsContact O-CB 3.3Å; N875-Q879 WeakPolarHBondContact O-CB 3.5Å; N875-Q879 PolarHBondContact O-N 3.11Å; L876-Q879 PolarHBondContact O-N 3.37Å; F877-Q879 VanDerWaalsContact C-N 3.29Å; F877-Q879 PolarHBondContact O-N 3.01Å; Q879-L881 VanDerWaalsContact C-N 3.27Å; Q879-L881 PolarHBondContact O-N 3.05Å; Q879-H882 CarbonylContact O-C 3.47Å; Q879-H882 WeakPolarHBondContact O-CB 3.4Å; Q879-H882 PolarHBondContact O-N 3.34Å; Q879-H882 VanDerWaalsContact O-N 3.13Å; Q879-D883 WeakPolarHBondContact O-CB 3.21Å; Q879-D883 PolarHBondContact O-N 2.97Å
880Q55.2Low55.8Low106 Ų106112.5 Ų112.550%0.49555%0.547SS..Hα-helixtrans-60.2-37171.1-75178.1-31.200112.1L876 F877 D883 I884L876-Q880 WeakPolarHBondContact O-CB 3.48Å; L876-Q880 WeakPolarHBondContact O-CG 3.38Å; L876-Q880 PolarHBondContact O-N 3.03Å; F877-Q880 PolarHBondContact O-N 3.29Å; Q880-D883 PolarHBondContact O-N 3.3Å; Q880-I884 WeakPolarHBondContact O-CB 3.37Å; Q880-I884 WeakPolarHBondContact O-CD1 3.41Å; Q880-I884 WeakPolarHBondContact O-CG1 3.17Å; Q880-I884 PolarHBondContact O-N 2.8Å
881L48.6Very low55.8Low75 Ų75113 Ų11339%0.39355%0.547SS..Hα-helixtrans-67.4-37.8175.3-151.395.8000111.5F877 N878 Q879 I884 Q885F877-L881 HydrophobicContact CE1-CD1 4.13Å; F877-L881 HydrophobicContact CZ-CD1 4.02Å; F877-L881 WeakPolarHBondContact O-CB 3.47Å; F877-L881 PolarHBondContact O-N 3.46Å; N878-L881 PolarHBondContact O-N 3.26Å; Q879-L881 VanDerWaalsContact C-N 3.27Å; Q879-L881 PolarHBondContact O-N 3.05Å; L881-I884 PolarHBondContact O-N 2.88Å; L881-Q885 WeakPolarHBondContact O-CB 3.33Å; L881-Q885 VanDerWaalsContact O-CG 3.24Å; L881-Q885 WeakPolarHBondContact O-CG 3.46Å; L881-Q885 PolarHBondContact O-N 2.95Å
882H54.4Low55.6Low104 Ų104114.9 Ų114.948%0.48156%0.555SS.*Hα-helixtrans-68.3-43.5175-171.2-77000111.4N878 Q879 I884 Q885 H886N878-H882 WeakPolarHBondContact O-CB 3.39Å; N878-H882 PolarHBondContact O-N 3.14Å; Q879-H882 CarbonylContact O-C 3.47Å; Q879-H882 WeakPolarHBondContact O-CB 3.4Å; Q879-H882 PolarHBondContact O-N 3.34Å; Q879-H882 VanDerWaalsContact O-N 3.13Å; H882-I884 PolarHBondContact O-N 3.07Å; H882-Q885 WeakPolarHBondContact O-CB 3.25Å; H882-Q885 PolarHBondContact O-N 3.32Å; H882-H886 AromaticContact CE1-CD2 3.78Å; H882-H886 WeakPolarHBondContact O-CB 3.34Å; H882-H886 PolarHBondContact O-N 2.89Å
883D56.2Low55.3Low98 Ų98117.4 Ų117.452%0.52456%0.559SS.*Hα-helixtrans-71.4-9.4176.4-61.3-18.6000112.9Q879 Q880Q879-D883 WeakPolarHBondContact O-CB 3.21Å; Q879-D883 PolarHBondContact O-N 2.97Å; Q880-D883 PolarHBondContact O-N 3.3Å
884I53.9Low54.8Low139 Ų139114.2 Ų114.271%0.71356%0.556SS**Hα-helixtrans-98.9-15.9169.1-71.1166.5000111.6Q880 L881 H882Q880-I884 WeakPolarHBondContact O-CB 3.37Å; Q880-I884 WeakPolarHBondContact O-CD1 3.41Å; Q880-I884 WeakPolarHBondContact O-CG1 3.17Å; Q880-I884 PolarHBondContact O-N 2.8Å; L881-I884 PolarHBondContact O-N 2.88Å; H882-I884 PolarHBondContact O-N 3.07Å
885Q44.6Very low54.4Low150 Ų150115.2 Ų115.270%0.70156%0.563SS**  trans-89.6-4.5174.4-80.4175.2-8.800113.3L881 H882L881-Q885 WeakPolarHBondContact O-CB 3.33Å; L881-Q885 VanDerWaalsContact O-CG 3.24Å; L881-Q885 WeakPolarHBondContact O-CG 3.46Å; L881-Q885 PolarHBondContact O-N 2.95Å; H882-Q885 WeakPolarHBondContact O-CB 3.25Å; H882-Q885 PolarHBondContact O-N 3.32Å
886H46.9Very low54Low202 Ų202117.2 Ų117.294%0.93557%0.569SS**  trans-123.30-165.2-147.3-43000114H882H882-H886 AromaticContact CE1-CD2 3.78Å; H882-H886 WeakPolarHBondContact O-CB 3.34Å; H882-H886 PolarHBondContact O-N 2.89Å

Retrieved 886 of 886 residues in 944 ms (Link to these results)

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