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1-acyl-sn-glycerol-3-phosphate acyltransferase alpha

Converts 1-acyl-sn-glycerol-3-phosphate (lysophosphatidic acid or LPA) into 1,2-diacyl-sn-glycerol-3-phosphate (phosphatidic acid or PA) by incorporating an acyl moiety at the sn-2 position of the glycerol backbone.

AlphaFold DB , UniProt , Accession Q99943, Species HUMAN (Homo sapiens, Human), Gene AGPAT1, Length 283 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
1M65.1Low82.8Confident240 Ų240119.6 Ų119.6100%1.18260%0.599SS**  094.90-82.8178.8159.100106.4L3M1-L3 PolarHBondContact O-N 3.11Å
2D77.4Confident83.3Confident167 Ų167118 Ų11889%0.89359%0.593SS**PPolyproline II helixtrans-74.1119.8174.6-67.6-37.1000108.1W4D2-W4 PolarHBondContact O-N 3.39Å
3L71.8Confident84Confident97 Ų97117.5 Ų117.551%0.50859%0.592SS.*PPolyproline II helixtrans-60.5128.7172.3-73.6169.1000108M1 A7 W8M1-L3 PolarHBondContact O-N 3.11Å; L3-A7 HydrophobicContact CB-CB 3.95Å; L3-A7 HydrophobicContact CD2-CB 4.3Å; L3-W8 HydrophobicContact CD1-CH2 4.21Å; L3-W8 HydrophobicContact CD1-CZ2 3.92Å
4W83.2Confident84.5Confident184 Ų184115 Ų11570%0.69758%0.581SS**PPolyproline II helixtrans-51.4146.1176.474.4-41.7000110.6D2 G6 A7D2-W4 PolarHBondContact O-N 3.39Å; W4-G6 PolarHBondContact O-N 3.29Å; W4-A7 VanDerWaalsContact CD1-N 3.35Å; W4-A7 HydrophobicContact CG-CB 4.49Å; W4-A7 VanDerWaalsContact NE1-N 3.12Å; W4-A7 WeakPolarHBondContact O-CB 3.49Å; W4-A7 PolarHBondContact O-N 2.97Å
5P77.9Confident84.8Confident114 Ų114115.6 Ų115.674%0.7458%0.578SS**Hα-helixtrans-52-31.4-174.4-2934.6000114.5A7P5-A7 VanDerWaalsContact C-N 3.31Å; P5-A7 PolarHBondContact O-N 3.17Å
6G86.1Confident85.2Confident24 Ų24112.8 Ų112.825%0.24757%0.565CS.*Hα-helixtrans-67.1-23.6175.800000114.8W4 M9 L10W4-G6 PolarHBondContact O-N 3.29Å; G6-M9 PolarHBondContact O-N 2.75Å; G6-L10 WeakPolarHBondContact O-CB 3.11Å; G6-L10 PolarHBondContact O-N 3.34Å
7A89.4Confident85.4Confident11 Ų11112.4 Ų112.49%0.09157%0.565CS.*Hα-helixtrans-66.3-41.4178.500000111.8L3 W4 P5 L10 L11L3-A7 HydrophobicContact CB-CB 3.95Å; L3-A7 HydrophobicContact CD2-CB 4.3Å; W4-A7 VanDerWaalsContact CD1-N 3.35Å; W4-A7 HydrophobicContact CG-CB 4.49Å; W4-A7 VanDerWaalsContact NE1-N 3.12Å; W4-A7 WeakPolarHBondContact O-CB 3.49Å; W4-A7 PolarHBondContact O-N 2.97Å; P5-A7 VanDerWaalsContact C-N 3.31Å; P5-A7 PolarHBondContact O-N 3.17Å; A7-L10 PolarHBondContact O-N 2.97Å; A7-L11 WeakPolarHBondContact O-CB 3.08Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.43Å; A7-L11 PolarHBondContact O-N 2.9Å
8W87.8Confident85.3Confident163 Ų163111.1 Ų111.162%0.61756%0.559SS**Hα-helixtrans-66.8-39.9178.3-65.9114.4000111.8L3 L11 L12L3-W8 HydrophobicContact CD1-CH2 4.21Å; L3-W8 HydrophobicContact CD1-CZ2 3.92Å; W8-L11 HydrophobicContact CE3-CD1 4.06Å; W8-L11 HydrophobicContact CZ3-CD1 4.22Å; W8-L11 PolarHBondContact O-N 3.11Å; W8-L12 VanDerWaalsContact O-CB 3.26Å; W8-L12 WeakPolarHBondContact O-CB 3.14Å; W8-L12 PolarHBondContact O-N 3.39Å
9M90.3Very high85.3Confident132 Ų132109.9 Ų109.965%0.6555%0.554SS**Hα-helixtrans-62.9-43.9172.5-71.9-176.173.500111.6G6 L12 L13G6-M9 PolarHBondContact O-N 2.75Å; M9-L12 PolarHBondContact O-N 2.63Å; M9-L13 WeakPolarHBondContact O-CB 3.15Å; M9-L13 VanDerWaalsContact O-CG 3.26Å; M9-L13 WeakPolarHBondContact O-CG 3.47Å; M9-L13 PolarHBondContact O-N 3.34Å
10L90.8Very high85.2Confident96 Ų96111.4 Ų111.450%0.50356%0.557SS.*Hα-helixtrans-63.8-45177.2-177.564.1000111.7G6 A7 L12 L13 L14G6-L10 WeakPolarHBondContact O-CB 3.11Å; G6-L10 PolarHBondContact O-N 3.34Å; A7-L10 PolarHBondContact O-N 2.97Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.77Å; L10-L14 HydrophobicContact CD1-CD1 4.4Å; L10-L14 HydrophobicContact CD1-CG 4.4Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.5Å
11L90.5Very high85.1Confident88 Ų88109.9 Ų109.946%0.46155%0.551SS.*Hα-helixtrans-62.2-41176.1-73.7171000111.5A7 W8 L14 F15A7-L11 WeakPolarHBondContact O-CB 3.08Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.43Å; A7-L11 PolarHBondContact O-N 2.9Å; W8-L11 HydrophobicContact CE3-CD1 4.06Å; W8-L11 HydrophobicContact CZ3-CD1 4.22Å; W8-L11 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-F15 WeakPolarHBondContact O-CB 3.5Å; L11-F15 PolarHBondContact O-N 2.98Å
12L89.7Confident85.8Confident100 Ų100102.1 Ų102.152%0.52451%0.513SS..Hα-helixtrans-64.6-44.8175.2-179.563.7000111.5W8 M9 L10 F15 L16W8-L12 VanDerWaalsContact O-CB 3.26Å; W8-L12 WeakPolarHBondContact O-CB 3.14Å; W8-L12 PolarHBondContact O-N 3.39Å; M9-L12 PolarHBondContact O-N 2.63Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.07Å; L12-F15 PolarHBondContact O-N 3.36Å; L12-L16 HydrophobicContact CD1-CD1 4.38Å; L12-L16 HydrophobicContact CD1-CG 4.33Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.8Å
13L91.8Very high86Confident111 Ų11197 Ų9758%0.58149%0.489SS*.Hα-helixtrans-63.9-42.1177-73.3170.8000111.8M9 L10 L16 L17M9-L13 WeakPolarHBondContact O-CB 3.15Å; M9-L13 VanDerWaalsContact O-CG 3.26Å; M9-L13 WeakPolarHBondContact O-CG 3.47Å; M9-L13 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 2.77Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 2.81Å
14L91.1Very high86.4Confident83 Ų8396 Ų9644%0.43549%0.487SS..Hα-helixtrans-64.2-40.7174.3-72.6171.6000111.6L10 L11 L17 L18L10-L14 HydrophobicContact CD1-CD1 4.4Å; L10-L14 HydrophobicContact CD1-CG 4.4Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.13Å
15F89.4Confident86.2Confident124 Ų12490.5 Ų90.554%0.54447%0.471SS..Hα-helixtrans-63.4-48.3175.6176.7-100.5000111.6L11 L12 L17 L18 L19L11-F15 WeakPolarHBondContact O-CB 3.5Å; L11-F15 PolarHBondContact O-N 2.98Å; L12-F15 PolarHBondContact O-N 3.36Å; F15-L17 PolarHBondContact O-N 3.38Å; F15-L18 PolarHBondContact O-N 3.14Å; F15-L19 HydrophobicContact CE1-CD1 3.94Å; F15-L19 HydrophobicContact CZ-CD1 3.86Å; F15-L19 VanDerWaalsContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.42Å
16L90.6Very high86.3Confident70 Ų7088.8 Ų88.837%0.36645%0.45SS..Hα-helixtrans-61.8-43.8176.1-70.7173.5000111.2L12 L13 L18 L19 F20L12-L16 HydrophobicContact CD1-CD1 4.38Å; L12-L16 HydrophobicContact CD1-CG 4.33Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.8Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.97Å; L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L19 VanDerWaalsContact O-N 3.14Å; L16-F20 WeakPolarHBondContact O-CD2 3.26Å; L16-F20 PolarHBondContact O-N 3.07Å
17L88.3Confident86Confident107 Ų10795.5 Ų95.556%0.5647%0.473SS*.Hα-helixtrans-57.4-47.2175-17869.9000110.9L13 L14 F15 L19 F20 L21L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 2.81Å; L14-L17 PolarHBondContact O-N 3.4Å; F15-L17 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.18Å; L17-F20 PolarHBondContact O-N 2.97Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 PolarHBondContact O-N 2.92Å
18L84.3Confident85.6Confident89 Ų8999.6 Ų99.647%0.46650%0.499SS..Hα-helixtrans-63.1-39.7175.7-75.1168000112.1L14 F15 L16 F20 L21 L22L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.13Å; F15-L18 PolarHBondContact O-N 3.14Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.97Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.2Å; L18-L21 PolarHBondContact O-N 2.82Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.25Å
19L85.8Confident85.6Confident89 Ų8993.7 Ų93.747%0.46648%0.483SS..Hα-helixtrans-61.9-34.2178.7-164.7111.3000112.1F15 L16 L17 P23F15-L19 HydrophobicContact CE1-CD1 3.94Å; F15-L19 HydrophobicContact CZ-CD1 3.86Å; F15-L19 VanDerWaalsContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.42Å; L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L19 VanDerWaalsContact O-N 3.14Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.18Å; L19-P23 WeakPolarHBondContact O-CD 3.25Å; L19-P23 WeakPolarHBondContact O-CG 3.04Å
20F83.4Confident85.4Confident138 Ų13892.1 Ų92.161%0.60548%0.482SS*.Hα-helixtrans-90.1-40.1175-71.4-71.9000113.2L16 L17 L18 P23 T24L16-F20 WeakPolarHBondContact O-CD2 3.26Å; L16-F20 PolarHBondContact O-N 3.07Å; L17-F20 PolarHBondContact O-N 2.97Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.2Å; F20-P23 WeakPolarHBondContact O-CD 3.38Å; F20-T24 VanDerWaalsContact O-CB 3.29Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 3.29Å; F20-T24 VanDerWaalsContact O-N 3.07Å; F20-T24 PolarHBondContact O-OG1 3.32Å
21L82.1Confident85.4Confident81 Ų8189.1 Ų89.142%0.42447%0.47SS..Hα-helixtrans-63.4-45.6-176.6-175.279.3000111.5L17 L18 T24 L25L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 2.82Å; L21-T24 PolarHBondContact O-N 2.84Å; L21-L25 HydrophobicContact CD1-CD1 4.41Å; L21-L25 HydrophobicContact CD1-CG 4.48Å; L21-L25 HydrophobicContact CD2-CD1 4.27Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 2.98Å; L21-L25 PolarHBondContact O-N 3.36Å
22L80.8Confident85.4Confident77 Ų7785.8 Ų85.840%0.40345%0.454SS..Hα-helixtrans-66.1-48-175.2-64.6172.7000112.6L18 L25 W26 F36L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-W26 WeakPolarHBondContact O-CB 3.36Å; L22-W26 PolarHBondContact O-N 3.31Å; L22-F36 HydrophobicContact CD2-CE1 4.04Å; L22-F36 HydrophobicContact CD2-CZ 3.62Å
23P81Confident85.5Confident58 Ų5884.7 Ų84.738%0.37745%0.445SS..Hα-helixtrans-60.6-43.7171.5-25.136.1000112.2L19 F20 L25 W26 F27L19-P23 WeakPolarHBondContact O-CD 3.25Å; L19-P23 WeakPolarHBondContact O-CG 3.04Å; F20-P23 WeakPolarHBondContact O-CD 3.38Å; P23-L25 VanDerWaalsContact C-N 3.34Å; P23-L25 PolarHBondContact O-N 3.5Å; P23-W26 WeakPolarHBondContact O-CB 3.44Å; P23-W26 PolarHBondContact O-N 2.83Å; P23-W26 VanDerWaalsContact O-N 3.11Å; P23-F27 HydrophobicContact CB-CD2 4.31Å; P23-F27 HydrophobicContact CB-CE2 4.32Å; P23-F27 WeakPolarHBondContact O-CD2 3.19Å; P23-F27 PolarHBondContact O-N 3.47Å
24T79.7Confident85.7Confident76 Ų7680.1 Ų80.147%0.46642%0.421SS..Hα-helixtrans-60.2-44.4179.1-52.80000111F20 L21 W26 F27 C28F20-T24 VanDerWaalsContact O-CB 3.29Å; F20-T24 WeakPolarHBondContact O-CB 3.26Å; F20-T24 PolarHBondContact O-N 3.29Å; F20-T24 VanDerWaalsContact O-N 3.07Å; F20-T24 PolarHBondContact O-OG1 3.32Å; L21-T24 PolarHBondContact O-N 2.84Å; T24-W26 PolarHBondContact O-N 2.86Å; T24-F27 PolarHBondContact O-N 2.89Å; T24-C28 WeakPolarHBondContact O-CA 3.46Å; T24-C28 WeakPolarHBondContact O-CB 3.27Å; T24-C28 PolarHBondContact O-N 3.46Å; T24-C28 PolarHBondContact O-SG 3.06Å
25L80.2Confident85.9Confident69 Ų6981.6 Ų81.636%0.36142%0.424SS..Hα-helixtrans-62.7-41.6174.5-73.1175.2000112L21 L22 P23 S29 A32 F36L21-L25 HydrophobicContact CD1-CD1 4.41Å; L21-L25 HydrophobicContact CD1-CG 4.48Å; L21-L25 HydrophobicContact CD2-CD1 4.27Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 2.98Å; L21-L25 PolarHBondContact O-N 3.36Å; L22-L25 PolarHBondContact O-N 2.87Å; P23-L25 VanDerWaalsContact C-N 3.34Å; P23-L25 PolarHBondContact O-N 3.5Å; L25-S29 WeakPolarHBondContact O-CA 3.31Å; L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.23Å; L25-S29 PolarHBondContact O-N 3.49Å; L25-A32 HydrophobicContact CB-CB 4.07Å; L25-A32 WeakPolarHBondContact O-CB 3.37Å; L25-F36 HydrophobicContact CB-CE2 4.37Å
26W78.5Confident86.1Confident79 Ų7979.2 Ų79.230%0.29941%0.413SS..Hα-helixtrans-62.1-41.9177.4174.4-89.2000112.9L22 P23 T24 K33 F36 K37L22-W26 WeakPolarHBondContact O-CB 3.36Å; L22-W26 PolarHBondContact O-N 3.31Å; P23-W26 WeakPolarHBondContact O-CB 3.44Å; P23-W26 PolarHBondContact O-N 2.83Å; P23-W26 VanDerWaalsContact O-N 3.11Å; T24-W26 PolarHBondContact O-N 2.86Å; W26-K33 HydrophobicContact CD2-CB 4.45Å; W26-K33 HydrophobicContact CD2-CG 3.98Å; W26-K33 HydrophobicContact CE3-CB 4.34Å; W26-K33 HydrophobicContact CE3-CG 3.99Å; W26-K33 HydrophobicContact CH2-CG 4.02Å; W26-K33 HydrophobicContact CZ2-CD 4.37Å; W26-K33 HydrophobicContact CZ2-CG 4Å; W26-K33 HydrophobicContact CZ3-CG 4.01Å; W26-F36 HydrophobicContact CE3-CB 3.66Å; W26-F36 AromaticContact CE3-CD2 3.86Å; W26-F36 HydrophobicContact CE3-CD2 3.86Å; W26-F36 HydrophobicContact CE3-CG 4.06Å; W26-F36 HydrophobicContact CZ3-CB 3.52Å; W26-F36 HydrophobicContact CZ3-CG 4.4Å; W26-K37 HydrophobicContact CH2-CD 4.37Å; W26-K37 HydrophobicContact CH2-CG 3.71Å; W26-K37 HydrophobicContact CZ3-CG 4.01Å
27F80.1Confident86.3Confident165 Ų16577.5 Ų77.572%0.72440%0.403SS*.Hα-helixtrans-83.3-35.9-177.9-72.1-66.7000113P23 T24P23-F27 HydrophobicContact CB-CD2 4.31Å; P23-F27 HydrophobicContact CB-CE2 4.32Å; P23-F27 WeakPolarHBondContact O-CD2 3.19Å; P23-F27 PolarHBondContact O-N 3.47Å; T24-F27 PolarHBondContact O-N 2.89Å
28C81.8Confident86.7Confident96 Ų9673.4 Ų73.465%0.64938%0.381SS*.Hα-helixtrans-94.2-19-173.6-58.40000113.7T24T24-C28 WeakPolarHBondContact O-CA 3.46Å; T24-C28 WeakPolarHBondContact O-CB 3.27Å; T24-C28 PolarHBondContact O-N 3.46Å; T24-C28 PolarHBondContact O-SG 3.06Å
29S88.1Confident87.3Confident39 Ų3972.2 Ų72.227%0.27338%0.384SS..  trans-122.2106.9-177.7179.90000112.2L25 S31 A32 K33L25-S29 WeakPolarHBondContact O-CA 3.31Å; L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.23Å; L25-S29 PolarHBondContact O-N 3.49Å; S29-S31 PolarHBondContact O-N 3.49Å; S29-A32 PolarHBondContact O-N 2.91Å; S29-A32 VanDerWaalsContact O-N 3.07Å; S29-A32 PolarHBondContact OG-N 2.84Å; S29-K33 PolarHBondContact O-N 3.47Å
30P86.4Confident87.9Confident99 Ų9972.8 Ų72.864%0.64338%0.383SS*.Hα-helixtrans-54.7-36.7172.5-26.534.7000112.6K33 Y34P30-K33 PolarHBondContact O-N 3.19Å; P30-Y34 PolarHBondContact O-N 2.96Å
31S90.3Very high88.6Confident34 Ų3466.2 Ų66.224%0.23835%0.354CS..Hα-helixtrans-63.1-47.4175.7-71.80000112S29 Y34 F35 R222S29-S31 PolarHBondContact O-N 3.49Å; S31-Y34 WeakPolarHBondContact O-CB 3.34Å; S31-Y34 PolarHBondContact O-N 2.95Å; S31-F35 WeakPolarHBondContact O-CD2 3.21Å; S31-F35 PolarHBondContact O-N 2.85Å; S31-F35 VanDerWaalsContact O-N 3.1Å; S31-R222 WeakPolarHBondContact OG-CD 3.22Å; S31-R222 PolarHBondContact OG-NH1 3.04Å
32A90.6Very high89.3Confident17 Ų1765.8 Ų65.814%0.1435%0.353CS..Hα-helixtrans-63.7-44.8178.600000110.7L25 S29 Y34 F35 F36L25-A32 HydrophobicContact CB-CB 4.07Å; L25-A32 WeakPolarHBondContact O-CB 3.37Å; S29-A32 PolarHBondContact O-N 2.91Å; S29-A32 VanDerWaalsContact O-N 3.07Å; S29-A32 PolarHBondContact OG-N 2.84Å; A32-Y34 VanDerWaalsContact C-N 3.27Å; A32-Y34 PolarHBondContact O-N 3.39Å; A32-F35 PolarHBondContact O-N 2.93Å; A32-F36 HydrophobicContact CB-CD2 4.35Å; A32-F36 HydrophobicContact CB-CE2 4.13Å; A32-F36 WeakPolarHBondContact O-CD2 3.47Å; A32-F36 PolarHBondContact O-N 2.81Å
33K91.7Very high90.1Very high77 Ų7763.9 Ų63.934%0.33535%0.351SS..Hα-helixtrans-54.2-43.1174.7-173.5172.4-175172.90112.3W26 S29 P30 K37W26-K33 HydrophobicContact CD2-CB 4.45Å; W26-K33 HydrophobicContact CD2-CG 3.98Å; W26-K33 HydrophobicContact CE3-CB 4.34Å; W26-K33 HydrophobicContact CE3-CG 3.99Å; W26-K33 HydrophobicContact CH2-CG 4.02Å; W26-K33 HydrophobicContact CZ2-CD 4.37Å; W26-K33 HydrophobicContact CZ2-CG 4Å; W26-K33 HydrophobicContact CZ3-CG 4.01Å; S29-K33 PolarHBondContact O-N 3.47Å; P30-K33 PolarHBondContact O-N 3.19Å; K33-K37 WeakPolarHBondContact O-CB 3.45Å; K33-K37 WeakPolarHBondContact O-CG 3.07Å; K33-K37 PolarHBondContact O-N 2.78Å
34Y95.1Very high90.9Very high15 Ų1564.5 Ų64.56%0.05935%0.346CS..Hα-helixtrans-60.8-47.4174.1164.5-88.1000112.8P30 S31 A32 K37 M38 Y217 R222 F224P30-Y34 PolarHBondContact O-N 2.96Å; S31-Y34 WeakPolarHBondContact O-CB 3.34Å; S31-Y34 PolarHBondContact O-N 2.95Å; A32-Y34 VanDerWaalsContact C-N 3.27Å; A32-Y34 PolarHBondContact O-N 3.39Å; Y34-K37 PolarHBondContact O-N 2.79Å; Y34-M38 HydrophobicContact CD2-CG 4.31Å; Y34-M38 HydrophobicContact CE1-CG 4.08Å; Y34-M38 HydrophobicContact CE2-CG 3.88Å; Y34-M38 WeakPolarHBondContact O-CB 3.1Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 3.29Å; Y34-Y217 HydrophobicContact CE2-CD2 4.36Å; Y34-Y217 AromaticContact CE2-CE2 3.8Å; Y34-Y217 HydrophobicContact CE2-CE2 3.8Å; Y34-R222 WeakPolarHBondContact CB-O 3.33Å; Y34-R222 HydrophobicContact CD1-CB 3.8Å; Y34-R222 HydrophobicContact CD1-CG 4.16Å; Y34-R222 VanDerWaalsContact CD2-C 3.42Å; Y34-R222 HydrophobicContact CD2-CB 4.35Å; Y34-R222 HydrophobicContact CE1-CB 4.43Å; Y34-R222 HydrophobicContact CE1-CG 4.43Å; Y34-R222 HydrophobicContact CG-CB 3.78Å; Y34-F224 HydrophobicContact CD2-CB 3.83Å; Y34-F224 HydrophobicContact CE2-CB 4.42Å
35F94.8Very high91.8Very high114 Ų11462.3 Ų62.350%0.533%0.331SS..Hα-helixtrans-65.8-41179.9-73.6-64.9000112.1S31 A32 K37 M38 A39S31-F35 WeakPolarHBondContact O-CD2 3.21Å; S31-F35 PolarHBondContact O-N 2.85Å; S31-F35 VanDerWaalsContact O-N 3.1Å; A32-F35 PolarHBondContact O-N 2.93Å; F35-K37 PolarHBondContact O-N 2.94Å; F35-M38 PolarHBondContact O-N 3.3Å; F35-A39 VanDerWaalsContact O-CB 3.27Å; F35-A39 WeakPolarHBondContact O-CB 3.05Å; F35-A39 PolarHBondContact O-N 3.32Å
36F93.9Very high92.6Very high75 Ų7562.4 Ų62.433%0.32933%0.331SS..Hα-helixtrans-60.2-45.5173.1-74.9-59.4000111.7L22 L25 W26 A32 M38 A39 F40L22-F36 HydrophobicContact CD2-CE1 4.04Å; L22-F36 HydrophobicContact CD2-CZ 3.62Å; L25-F36 HydrophobicContact CB-CE2 4.37Å; W26-F36 HydrophobicContact CE3-CB 3.66Å; W26-F36 AromaticContact CE3-CD2 3.86Å; W26-F36 HydrophobicContact CE3-CD2 3.86Å; W26-F36 HydrophobicContact CE3-CG 4.06Å; W26-F36 HydrophobicContact CZ3-CB 3.52Å; W26-F36 HydrophobicContact CZ3-CG 4.4Å; A32-F36 HydrophobicContact CB-CD2 4.35Å; A32-F36 HydrophobicContact CB-CE2 4.13Å; A32-F36 WeakPolarHBondContact O-CD2 3.47Å; A32-F36 PolarHBondContact O-N 2.81Å; F36-M38 PolarHBondContact O-N 3.47Å; F36-A39 PolarHBondContact O-N 3.01Å; F36-F40 WeakPolarHBondContact O-CB 3.46Å; F36-F40 PolarHBondContact O-N 3.49Å
37K95.7Very high93.6Very high34 Ų3463.5 Ų63.515%0.14834%0.338CS..Hα-helixtrans-61.1-41.5175.9-82.4-173.5173.8-163.40112.8W26 K33 Y34 F35 Y41 Y80 F224W26-K37 HydrophobicContact CH2-CD 4.37Å; W26-K37 HydrophobicContact CH2-CG 3.71Å; W26-K37 HydrophobicContact CZ3-CG 4.01Å; K33-K37 WeakPolarHBondContact O-CB 3.45Å; K33-K37 WeakPolarHBondContact O-CG 3.07Å; K33-K37 PolarHBondContact O-N 2.78Å; Y34-K37 PolarHBondContact O-N 2.79Å; F35-K37 PolarHBondContact O-N 2.94Å; K37-Y41 WeakPolarHBondContact O-CB 3.43Å; K37-Y41 PolarHBondContact O-N 3.23Å; K37-Y80 HydrophobicContact CB-CE1 3.98Å; K37-Y80 HydrophobicContact CD-CD1 4.5Å; K37-Y80 HydrophobicContact CD-CE1 4.4Å; K37-Y80 HydrophobicContact CG-CE1 4.17Å; K37-Y80 PolarHBondContact O-OH 2.82Å; K37-F224 HydrophobicContact CB-CD1 3.89Å; K37-F224 HydrophobicContact CB-CG 4.44Å; K37-F224 HydrophobicContact CD-CB 4.26Å; K37-F224 HydrophobicContact CD-CG 4.38Å; K37-F224 WeakPolarHBondContact CD-O 3.22Å; K37-F224 WeakPolarHBondContact CE-O 3.32Å; K37-F224 PolarHBondContact NZ-O 2.99Å
38M96.9Very high94.5Very high21 Ų2156.3 Ų56.310%0.10331%0.308CS..Hα-helixtrans-71.8-36.6176.9-74.4-56.7-60.600112.7Y34 F35 F36 Y41 N42 Y217 F224Y34-M38 HydrophobicContact CD2-CG 4.31Å; Y34-M38 HydrophobicContact CE1-CG 4.08Å; Y34-M38 HydrophobicContact CE2-CG 3.88Å; Y34-M38 WeakPolarHBondContact O-CB 3.1Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 3.29Å; F35-M38 PolarHBondContact O-N 3.3Å; F36-M38 PolarHBondContact O-N 3.47Å; M38-Y41 HydrophobicContact CE-CD1 4.47Å; M38-Y41 PolarHBondContact O-N 2.89Å; M38-N42 PolarHBondContact O-N 3.06Å; M38-N42 PolarHBondContact O-ND2 3.1Å; M38-Y217 HydrophobicContact SD-CE2 3.71Å; M38-F224 HydrophobicContact CG-CD1 4.2Å; M38-F224 HydrophobicContact SD-CD1 3.61Å; M38-F224 HydrophobicContact SD-CE1 3.74Å
39A96.4Very high95.2Very high64 Ų6452.1 Ų52.153%0.52928%0.28SS..Hα-helixtrans-63.8-46.2174.300000110.4F35 F36 Y41 G43F35-A39 VanDerWaalsContact O-CB 3.27Å; F35-A39 WeakPolarHBondContact O-CB 3.05Å; F35-A39 PolarHBondContact O-N 3.32Å; F36-A39 PolarHBondContact O-N 3.01Å; A39-Y41 PolarHBondContact O-N 2.96Å; A39-G43 PolarHBondContact O-N 3.15Å
40F97.4Very high95.7Very high100 Ų10054.1 Ų54.144%0.43929%0.29SS..Hα-helixtrans-59.9-44.8172.8-176.1-107.5000111.4F36 N42 G43 W44 L79 Y80F36-F40 WeakPolarHBondContact O-CB 3.46Å; F36-F40 PolarHBondContact O-N 3.49Å; F40-N42 PolarHBondContact O-N 3.27Å; F40-G43 PolarHBondContact O-N 3.08Å; F40-W44 HydrophobicContact CE2-CD2 4.46Å; F40-W44 AromaticContact CE2-CE3 3.92Å; F40-W44 HydrophobicContact CE2-CE3 3.92Å; F40-W44 HydrophobicContact CZ-CD2 4.09Å; F40-W44 AromaticContact CZ-CE3 3.93Å; F40-W44 HydrophobicContact CZ-CE3 3.93Å; F40-W44 HydrophobicContact CZ-CG 4.38Å; F40-W44 WeakPolarHBondContact O-CB 3.47Å; F40-W44 PolarHBondContact O-N 2.98Å; F40-L79 HydrophobicContact CE1-CD1 3.97Å; F40-L79 HydrophobicContact CZ-CD1 4.3Å; F40-Y80 HydrophobicContact CD1-CE2 4.36Å; F40-Y80 VanDerWaalsContact CD1-OH 3.32Å; F40-Y80 WeakPolarHBondContact CD1-OH 3.08Å
41Y98Very high96.3Very high1 Ų153.5 Ų53.50%0.00428%0.281CS..Hα-helixtrans-56.8-53180-178.7-101.5000111.7K37 M38 A39 I45 I76 Y80 S107 L108 L111K37-Y41 WeakPolarHBondContact O-CB 3.43Å; K37-Y41 PolarHBondContact O-N 3.23Å; M38-Y41 HydrophobicContact CE-CD1 4.47Å; M38-Y41 PolarHBondContact O-N 2.89Å; A39-Y41 PolarHBondContact O-N 2.96Å; Y41-I45 HydrophobicContact CD1-CD1 3.9Å; Y41-I45 HydrophobicContact CE1-CD1 3.45Å; Y41-I45 VanDerWaalsContact CE1-CD1 3.45Å; Y41-I45 HydrophobicContact CE2-CD1 4.21Å; Y41-I45 HydrophobicContact CG-CD1 4.46Å; Y41-I45 WeakPolarHBondContact O-CG1 3.22Å; Y41-I45 PolarHBondContact O-N 3.04Å; Y41-I76 HydrophobicContact CD2-CG2 3.94Å; Y41-I76 HydrophobicContact CE2-CG2 3.84Å; Y41-Y80 WeakPolarHBondContact CA-OH 3.2Å; Y41-Y80 WeakPolarHBondContact CB-OH 3.2Å; Y41-Y80 AromaticContact CD2-CE2 3.99Å; Y41-Y80 HydrophobicContact CD2-CE2 3.99Å; Y41-Y80 PolarHBondContact N-OH 2.83Å; Y41-S107 PolarHBondContact OH-O 2.66Å; Y41-L108 HydrophobicContact CD2-CD2 4.32Å; Y41-L108 HydrophobicContact CE2-CD2 3.84Å; Y41-L111 HydrophobicContact CE2-CD1 4.48Å; Y41-L111 HydrophobicContact CE2-CD2 4.13Å; Y41-L111 HydrophobicContact CE2-CG 4.38Å
42N97.4Very high96.7Very high72 Ų7252 Ų5239%0.38527%0.27SS..Hα-helixtrans-71.3-41.9-178-65.6-56000111.7M38 F40 W44 I45 L46M38-N42 PolarHBondContact O-N 3.06Å; M38-N42 PolarHBondContact O-ND2 3.1Å; F40-N42 PolarHBondContact O-N 3.27Å; N42-W44 VanDerWaalsContact C-N 3.32Å; N42-W44 PolarHBondContact O-N 3.37Å; N42-I45 PolarHBondContact O-N 3.09Å; N42-L46 WeakPolarHBondContact O-CG 3.1Å; N42-L46 PolarHBondContact O-N 2.74Å
43G97.7Very high97Very high36 Ų3652.8 Ų52.837%0.37127%0.272SS..Hα-helixtrans-62.7-39.5177.800000112.3A39 F40 L46 F47A39-G43 PolarHBondContact O-N 3.15Å; F40-G43 PolarHBondContact O-N 3.08Å; G43-L46 PolarHBondContact O-N 2.74Å; G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 3.19Å
44W98.2Very high97.3Very high72 Ų7253.1 Ų53.127%0.27328%0.282SS..Hα-helixtrans-65.7-41.9176.3-166.3-106.4000111.9F40 N42 L46 F47 L48 H75F40-W44 HydrophobicContact CE2-CD2 4.46Å; F40-W44 AromaticContact CE2-CE3 3.92Å; F40-W44 HydrophobicContact CE2-CE3 3.92Å; F40-W44 HydrophobicContact CZ-CD2 4.09Å; F40-W44 AromaticContact CZ-CE3 3.93Å; F40-W44 HydrophobicContact CZ-CE3 3.93Å; F40-W44 HydrophobicContact CZ-CG 4.38Å; F40-W44 WeakPolarHBondContact O-CB 3.47Å; F40-W44 PolarHBondContact O-N 2.98Å; N42-W44 VanDerWaalsContact C-N 3.32Å; N42-W44 PolarHBondContact O-N 3.37Å; W44-L46 VanDerWaalsContact C-N 3.35Å; W44-L46 PolarHBondContact O-N 3.31Å; W44-F47 HydrophobicContact CE3-CD1 4.22Å; W44-F47 HydrophobicContact CH2-CD1 4.41Å; W44-F47 HydrophobicContact CH2-CE1 4.33Å; W44-F47 HydrophobicContact CZ3-CD1 4.09Å; W44-F47 HydrophobicContact CZ3-CE1 4.3Å; W44-F47 PolarHBondContact O-N 3.48Å; W44-L48 VanDerWaalsContact CD1-CD1 3.48Å; W44-L48 HydrophobicContact CG-CD1 4.35Å; W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.24Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 2.97Å; W44-H75 AromaticContact CE2-NE2 3.94Å; W44-H75 AromaticContact CZ2-NE2 3.98Å; W44-H75 AromaticContact NE1-CE1 3.86Å; W44-H75 AromaticContact NE1-NE2 3.29Å; W44-H75 PolarHBondContact NE1-NE2 3.35Å
45I98.2Very high97.5Very high29 Ų2956 Ų5615%0.14930%0.301CS..Hα-helixtrans-60.5-44.5173-70.2167.4000111.1Y41 N42 L48 A49 L73 I76 L110 A135Y41-I45 HydrophobicContact CD1-CD1 3.9Å; Y41-I45 HydrophobicContact CE1-CD1 3.45Å; Y41-I45 VanDerWaalsContact CE1-CD1 3.45Å; Y41-I45 HydrophobicContact CE2-CD1 4.21Å; Y41-I45 HydrophobicContact CG-CD1 4.46Å; Y41-I45 WeakPolarHBondContact O-CG1 3.22Å; Y41-I45 PolarHBondContact O-N 3.04Å; N42-I45 PolarHBondContact O-N 3.09Å; I45-L48 PolarHBondContact O-N 2.8Å; I45-A49 WeakPolarHBondContact O-CB 3.33Å; I45-A49 PolarHBondContact O-N 2.96Å; I45-L73 HydrophobicContact CG1-CD2 4.08Å; I45-I76 HydrophobicContact CG1-CD1 3.89Å; I45-L110 HydrophobicContact CD1-CD2 3.76Å; I45-L110 HydrophobicContact CG1-CD2 4.41Å; I45-A135 HydrophobicContact CG2-CB 4.33Å
46L98.1Very high97.6Very high71 Ų7150.6 Ų50.637%0.37228%0.277SS..Hα-helixtrans-63.3-42.5178-71.8169.2000111.9N42 G43 W44 A49 V50 A132 S134 A135N42-L46 WeakPolarHBondContact O-CG 3.1Å; N42-L46 PolarHBondContact O-N 2.74Å; G43-L46 PolarHBondContact O-N 2.74Å; W44-L46 VanDerWaalsContact C-N 3.35Å; W44-L46 PolarHBondContact O-N 3.31Å; L46-A49 WeakPolarHBondContact O-CB 3.31Å; L46-A49 PolarHBondContact O-N 3.12Å; L46-V50 WeakPolarHBondContact O-CG2 3.23Å; L46-V50 PolarHBondContact O-N 3.4Å; L46-A132 WeakPolarHBondContact CD2-O 3.46Å; L46-S134 WeakPolarHBondContact CA-OG 3.17Å; L46-S134 PolarHBondContact O-OG 3.49Å; L46-A135 HydrophobicContact CD2-CB 3.88Å
47F98.4Very high97.8Very high102 Ų10249.5 Ų49.545%0.44728%0.282SS..Hα-helixtrans-62.6-49176.2172.3-108.1000111.8G43 W44 A49 V50 L51G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 3.19Å; W44-F47 HydrophobicContact CE3-CD1 4.22Å; W44-F47 HydrophobicContact CH2-CD1 4.41Å; W44-F47 HydrophobicContact CH2-CE1 4.33Å; W44-F47 HydrophobicContact CZ3-CD1 4.09Å; W44-F47 HydrophobicContact CZ3-CE1 4.3Å; W44-F47 PolarHBondContact O-N 3.48Å; F47-A49 VanDerWaalsContact C-N 3.26Å; F47-A49 PolarHBondContact O-N 3.15Å; F47-V50 WeakPolarHBondContact O-CB 3.35Å; F47-V50 PolarHBondContact O-N 3.46Å; F47-V50 VanDerWaalsContact O-N 3.07Å; F47-L51 HydrophobicContact CD1-CD1 4.37Å; F47-L51 HydrophobicContact CE1-CD1 3.69Å; F47-L51 HydrophobicContact CE1-CG 4.45Å; F47-L51 HydrophobicContact CE2-CD1 4.43Å; F47-L51 HydrophobicContact CE2-CG 4.45Å; F47-L51 HydrophobicContact CZ-CD1 3.73Å; F47-L51 HydrophobicContact CZ-CD2 4.45Å; F47-L51 HydrophobicContact CZ-CG 4.22Å; F47-L51 PolarHBondContact O-N 3.17Å; F47-L51 VanDerWaalsContact O-N 3.17Å
48L98.5Very high97.9Very high15 Ų1553.9 Ų53.98%0.07931%0.312CS..Hα-helixtrans-59.8-38.1175.7-70.1170.3000111.8W44 I45 V50 L51 A52 M72 L73 I76W44-L48 VanDerWaalsContact CD1-CD1 3.48Å; W44-L48 HydrophobicContact CG-CD1 4.35Å; W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.24Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 2.97Å; I45-L48 PolarHBondContact O-N 2.8Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 2.82Å; L48-L51 PolarHBondContact O-N 3.25Å; L48-A52 WeakPolarHBondContact O-CB 3.33Å; L48-A52 PolarHBondContact O-N 2.89Å; L48-M72 HydrophobicContact CB-CE 4.2Å; L48-M72 WeakPolarHBondContact CD1-O 3.46Å; L48-M72 HydrophobicContact CD2-CE 4.08Å; L48-M72 WeakPolarHBondContact O-CE 3.35Å; L48-L73 HydrophobicContact CD1-CD2 4.18Å; L48-I76 HydrophobicContact CD1-CD1 3.95Å; L48-I76 HydrophobicContact CD1-CG1 4.33Å
49A98.3Very high97.8Very high7 Ų759.6 Ų59.66%0.05833%0.332CS..Hα-helixtrans-63-3917500000112.2I45 L46 F47 L51 A52 I53 A135 A138I45-A49 WeakPolarHBondContact O-CB 3.33Å; I45-A49 PolarHBondContact O-N 2.96Å; L46-A49 WeakPolarHBondContact O-CB 3.31Å; L46-A49 PolarHBondContact O-N 3.12Å; F47-A49 VanDerWaalsContact C-N 3.26Å; F47-A49 PolarHBondContact O-N 3.15Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3Å; A49-A52 PolarHBondContact O-N 2.75Å; A49-I53 WeakPolarHBondContact O-CD1 3.36Å; A49-I53 WeakPolarHBondContact O-CG1 3.49Å; A49-I53 PolarHBondContact O-N 3.44Å; A49-A135 HydrophobicContact CB-CB 4.35Å; A49-A138 HydrophobicContact CB-CB 3.87Å
50V98.5Very high97.7Very high81 Ų8157.8 Ų57.849%0.49132%0.319SS..Hα-helixtrans-58-43.8173172.10000111.1L46 F47 L48 P54L46-V50 WeakPolarHBondContact O-CG2 3.23Å; L46-V50 PolarHBondContact O-N 3.4Å; F47-V50 WeakPolarHBondContact O-CB 3.35Å; F47-V50 PolarHBondContact O-N 3.46Å; F47-V50 VanDerWaalsContact O-N 3.07Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 2.82Å; V50-P54 WeakPolarHBondContact O-CD 3.33Å
51L98.2Very high97.7Very high87 Ų8759.6 Ų59.646%0.45532%0.323SS..Hα-helixtrans-68.5-34177.6-62.4-177.7000112.8F47 L48 A49 M72F47-L51 HydrophobicContact CD1-CD1 4.37Å; F47-L51 HydrophobicContact CE1-CD1 3.69Å; F47-L51 HydrophobicContact CE1-CG 4.45Å; F47-L51 HydrophobicContact CE2-CD1 4.43Å; F47-L51 HydrophobicContact CE2-CG 4.45Å; F47-L51 HydrophobicContact CZ-CD1 3.73Å; F47-L51 HydrophobicContact CZ-CD2 4.45Å; F47-L51 HydrophobicContact CZ-CG 4.22Å; F47-L51 PolarHBondContact O-N 3.17Å; F47-L51 VanDerWaalsContact O-N 3.17Å; L48-L51 PolarHBondContact O-N 3.25Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3Å; L51-M72 HydrophobicContact CB-CE 3.69Å
52A98.1Very high97.6Very high1 Ų162.2 Ų62.21%0.00834%0.337CS..Hα-helixtrans-72.4-35179.800000112.7L48 A49 V55 C56 L69 M72L48-A52 WeakPolarHBondContact O-CB 3.33Å; L48-A52 PolarHBondContact O-N 2.89Å; A49-A52 PolarHBondContact O-N 2.75Å; A52-V55 PolarHBondContact O-N 2.76Å; A52-V55 VanDerWaalsContact O-N 3.13Å; A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.91Å; A52-C56 PolarHBondContact O-SG 2.85Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; A52-L69 HydrophobicContact CB-CD2 3.72Å; A52-M72 HydrophobicContact CB-CE 4.11Å; A52-M72 HydrophobicContact CB-SD 3.55Å; A52-M72 VanDerWaalsContact CB-SD 3.55Å
53I98.5Very high97.5Very high34 Ų3459.5 Ų59.517%0.17432%0.323CS..Hα-helixtrans-54.6-51-171.1-77.2157.5000112.9A49 V55 C56 A57 L137 A138 L141A49-I53 WeakPolarHBondContact O-CD1 3.36Å; A49-I53 WeakPolarHBondContact O-CG1 3.49Å; A49-I53 PolarHBondContact O-N 3.44Å; I53-V55 VanDerWaalsContact C-N 3.29Å; I53-V55 PolarHBondContact O-N 3.29Å; I53-C56 PolarHBondContact O-N 2.87Å; I53-A57 WeakPolarHBondContact O-CB 3.43Å; I53-A57 PolarHBondContact O-N 3.3Å; I53-L137 HydrophobicContact CD1-CB 4.27Å; I53-L137 HydrophobicContact CD1-CD2 4.04Å; I53-L137 HydrophobicContact CD1-CG 4.25Å; I53-L137 HydrophobicContact CG1-CD2 4.38Å; I53-L137 HydrophobicContact CG1-CG 4.31Å; I53-L137 HydrophobicContact CG2-CD2 4.22Å; I53-A138 HydrophobicContact CG1-CB 4.13Å; I53-L141 HydrophobicContact CB-CD1 4.46Å; I53-L141 HydrophobicContact CG1-CD1 4.33Å; I53-L141 HydrophobicContact CG2-CD1 4.12Å
54P98Very high97.5Very high85 Ų8560 Ų6055%0.55232%0.316SS*.Hα-helixtrans-58.1-40.8179.1-25.534.1000112.8V50 A57 V58V50-P54 WeakPolarHBondContact O-CD 3.33Å; P54-A57 PolarHBondContact O-N 2.86Å; P54-V58 PolarHBondContact O-N 3.45Å
55V97.7Very high97.4Very high76 Ų7656.5 Ų56.546%0.46130%0.303SS..Hα-helixtrans-69.1-44.9-179.6-171.60000111A52 I53 A57 I68A52-V55 PolarHBondContact O-N 2.76Å; A52-V55 VanDerWaalsContact O-N 3.13Å; I53-V55 VanDerWaalsContact C-N 3.29Å; I53-V55 PolarHBondContact O-N 3.29Å; V55-A57 VanDerWaalsContact C-N 3.33Å; V55-I68 HydrophobicContact CB-CD1 4.5Å; V55-I68 HydrophobicContact CG1-CD1 3.75Å
56C97.9Very high97.4Very high0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-67-35.9177.5-66.50000111.8A52 I53 V58 R59 G60 N65 L141A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.91Å; A52-C56 PolarHBondContact O-SG 2.85Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; I53-C56 PolarHBondContact O-N 2.87Å; C56-V58 VanDerWaalsContact C-N 3.26Å; C56-V58 PolarHBondContact O-N 2.88Å; C56-R59 PolarHBondContact O-N 3.27Å; C56-R59 VanDerWaalsContact O-N 3.11Å; C56-G60 PolarHBondContact O-N 3.49Å; C56-N65 HydrophobicContact CB-CB 4.13Å; C56-N65 PolarHBondContact O-ND2 2.6Å; C56-L141 HydrophobicContact CB-CB 3.92Å; C56-L141 HydrophobicContact CB-CD1 4.05Å
57A97.5Very high97.4Very high52 Ų5257.9 Ų57.943%0.4331%0.305SS..Hα-helixtrans-63.3-29.5-178.900000112.9I53 P54 V55 R59 G60 L141I53-A57 WeakPolarHBondContact O-CB 3.43Å; I53-A57 PolarHBondContact O-N 3.3Å; P54-A57 PolarHBondContact O-N 2.86Å; V55-A57 VanDerWaalsContact C-N 3.33Å; A57-R59 PolarHBondContact O-N 2.95Å; A57-G60 PolarHBondContact O-N 3.33Å; A57-L141 HydrophobicContact CB-CD1 4.36Å
58V97.2Very high97.4Very high126 Ų12654.5 Ų54.576%0.76429%0.291SS*.Hα-helixtrans-56.7-36.8173.8175.50000111.8P54 C56P54-V58 PolarHBondContact O-N 3.45Å; C56-V58 VanDerWaalsContact C-N 3.26Å; C56-V58 PolarHBondContact O-N 2.88Å
59R95.3Very high97.4Very high140 Ų14054.6 Ų54.653%0.52829%0.292SS..THydrogen-bonded Turntrans-92.6-5.4176.4-64.7-172.9179.989.12.4113.3C56 A57 N62C56-R59 PolarHBondContact O-N 3.27Å; C56-R59 VanDerWaalsContact O-N 3.11Å; A57-R59 PolarHBondContact O-N 2.95Å; R59-N62 HydrophobicContact CB-CB 4.1Å
60G95.6Very high97.4Very high26 Ų2658.6 Ų58.627%0.26831%0.305SS..  trans60.7-146.8-16900000112.5C56 A57 N62 N65 L141C56-G60 PolarHBondContact O-N 3.49Å; A57-G60 PolarHBondContact O-N 3.33Å; G60-N62 PolarHBondContact O-N 2.74Å; G60-N62 VanDerWaalsContact O-N 3.16Å; G60-N65 PolarHBondContact O-ND2 3.23Å; G60-L141 VanDerWaalsContact O-O 3.06Å
61R95.7Very high97.4Very high138 Ų13861 Ų6152%0.52132%0.315SS..SBendtrans-75.799.8177.6179.7164.1-177.2-156.4-1.3110.3W140 L141R61-W140 WeakPolarHBondContact CG-O 3.1Å; R61-L141 WeakPolarHBondContact CA-O 3.42Å
62N96Very high97.3Very high56 Ų5658.7 Ų58.730%0.29930%0.302SS..  trans-144.4134.3-174.3-165.7-50.6000111.7R59 G60 E64 N65 L141 A142R59-N62 HydrophobicContact CB-CB 4.1Å; G60-N62 PolarHBondContact O-N 2.74Å; G60-N62 VanDerWaalsContact O-N 3.16Å; N62-E64 PolarHBondContact O-N 3.37Å; N62-E64 WeakPolarHBondContact OD1-CB 3.32Å; N62-E64 WeakPolarHBondContact OD1-CG 3.43Å; N62-E64 PolarHBondContact OD1-N 3.09Å; N62-N65 VanDerWaalsContact O-CB 3.31Å; N62-N65 WeakPolarHBondContact O-CB 3.47Å; N62-N65 PolarHBondContact O-N 3.29Å; N62-N65 VanDerWaalsContact O-N 3.09Å; N62-L141 PolarHBondContact N-O 2.82Å; N62-A142 CarbonylContact O-C 3.58Å
63V96Very high97.4Very high15 Ų1559.6 Ų59.69%0.09131%0.307CS..THydrogen-bonded Turntrans-59.3-28.7177.961.80000113.4N65 M66 R120 V122 V171V63-N65 PolarHBondContact O-N 3.37Å; V63-M66 VanDerWaalsContact O-CB 3.27Å; V63-M66 WeakPolarHBondContact O-CB 3.08Å; V63-M66 PolarHBondContact O-N 2.81Å; V63-R120 VanDerWaalsContact CG2-C 3.49Å; V63-R120 HydrophobicContact CG2-CB 4.19Å; V63-V122 HydrophobicContact CB-CG1 4.11Å; V63-V122 HydrophobicContact CG2-CG1 3.63Å; V63-V171 HydrophobicContact CB-CG1 4.3Å; V63-V171 HydrophobicContact CG1-CG1 4.03Å; V63-V171 HydrophobicContact CG2-CG1 4.24Å
64E96.8Very high97.3Very high46 Ų4659.9 Ų59.922%0.21531%0.308CS..THydrogen-bonded Turntrans-62.1-24.7177.8-67.8-60.8143.900112.6N62 M66 K67 R120N62-E64 PolarHBondContact O-N 3.37Å; N62-E64 WeakPolarHBondContact OD1-CB 3.32Å; N62-E64 WeakPolarHBondContact OD1-CG 3.43Å; N62-E64 PolarHBondContact OD1-N 3.09Å; E64-M66 PolarHBondContact O-N 3.44Å; E64-K67 WeakPolarHBondContact O-CB 3.23Å; E64-K67 PolarHBondContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 2.75Å; E64-K67 WeakPolarHBondContact OE2-CD 3.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.3Å; E64-K67 IonicContact OE2-NZ 3.18Å; E64-K67 PolarHBondContact OE2-NZ 3.02Å; E64-R120 VanDerWaalsContact OE1-CG 3.32Å; E64-R120 WeakPolarHBondContact OE1-CG 3.37Å; E64-R120 IonicContact OE1-CZ 3.28Å; E64-R120 IonicContact OE1-NH1 2.85Å; E64-R120 PolarHBondContact OE1-NH1 2.95Å
65N98.1Very high97.3Very high0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-66.1-18.1175.2-69.4-22.4000112.5C56 G60 N62 V63 K67 I68 L69 L141 A142C56-N65 HydrophobicContact CB-CB 4.13Å; C56-N65 PolarHBondContact O-ND2 2.6Å; G60-N65 PolarHBondContact O-ND2 3.23Å; N62-N65 VanDerWaalsContact O-CB 3.31Å; N62-N65 WeakPolarHBondContact O-CB 3.47Å; N62-N65 PolarHBondContact O-N 3.29Å; N62-N65 VanDerWaalsContact O-N 3.09Å; V63-N65 PolarHBondContact O-N 3.37Å; N65-K67 PolarHBondContact O-N 3.25Å; N65-I68 WeakPolarHBondContact O-CB 3.41Å; N65-I68 PolarHBondContact O-N 3.4Å; N65-L69 PolarHBondContact O-N 2.83Å; N65-L69 VanDerWaalsContact O-N 3.09Å; N65-L141 PolarHBondContact ND2-O 3.38Å; N65-A142 HydrophobicContact CB-CB 4.09Å
66M97.9Very high97.4Very high10 Ų1055.3 Ų55.35%0.04927%0.274CS..Hα-helixtrans-60.7-27.7170.7-73.1-64.2-58.100112.5V63 E64 I68 L69 R70 L117 C121 V122 P123 A142 V144V63-M66 VanDerWaalsContact O-CB 3.27Å; V63-M66 WeakPolarHBondContact O-CB 3.08Å; V63-M66 PolarHBondContact O-N 2.81Å; E64-M66 PolarHBondContact O-N 3.44Å; M66-I68 VanDerWaalsContact C-N 3.33Å; M66-L69 PolarHBondContact O-N 3.46Å; M66-L69 HydrophobicContact SD-CD1 4.26Å; M66-R70 WeakPolarHBondContact O-CB 3.32Å; M66-R70 PolarHBondContact O-N 3.44Å; M66-L117 HydrophobicContact CB-CD2 4.35Å; M66-L117 HydrophobicContact CE-CD1 4.39Å; M66-L117 HydrophobicContact CE-CD2 3.61Å; M66-C121 WeakPolarHBondContact CG-O 3.31Å; M66-V122 HydrophobicContact CG-CG1 4.28Å; M66-P123 HydrophobicContact CE-CG 4.45Å; M66-A142 HydrophobicContact CG-CB 3.96Å; M66-A142 WeakPolarHBondContact CG-O 3.49Å; M66-A142 HydrophobicContact SD-CB 3.56Å; M66-A142 VanDerWaalsContact SD-CB 3.56Å; M66-V144 HydrophobicContact SD-CG2 4.11Å
67K97.9Very high97.3Very high118 Ų11855.9 Ų55.951%0.51328%0.277SS..Hα-helixtrans-65.3-38.8173.9-65.9175.6176.81670111.5E64 N65 L71E64-K67 WeakPolarHBondContact O-CB 3.23Å; E64-K67 PolarHBondContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 2.75Å; E64-K67 WeakPolarHBondContact OE2-CD 3.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.3Å; E64-K67 IonicContact OE2-NZ 3.18Å; E64-K67 PolarHBondContact OE2-NZ 3.02Å; N65-K67 PolarHBondContact O-N 3.25Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 PolarHBondContact O-N 2.83Å
68I97.8Very high97.4Very high32 Ų3261.1 Ų61.116%0.16429%0.287CS..Hα-helixtrans-65.9-51.6176.5-60.5165.2000109.3V55 N65 M66 R70 L71 M72V55-I68 HydrophobicContact CB-CD1 4.5Å; V55-I68 HydrophobicContact CG1-CD1 3.75Å; N65-I68 WeakPolarHBondContact O-CB 3.41Å; N65-I68 PolarHBondContact O-N 3.4Å; M66-I68 VanDerWaalsContact C-N 3.33Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.27Å; I68-L71 PolarHBondContact O-N 2.65Å; I68-M72 HydrophobicContact CG2-CG 4.45Å; I68-M72 HydrophobicContact CG2-SD 3.82Å; I68-M72 VanDerWaalsContact O-CG 3.31Å; I68-M72 WeakPolarHBondContact O-CG 3.29Å; I68-M72 PolarHBondContact O-N 3.15Å
69L98.2Very high97.4Very high16 Ų1659.2 Ų59.28%0.08427%0.272CS..Hα-helixtrans-59-44178.6-60.2-168.1000111.5A52 N65 M66 M72 L73 A138 A142A52-L69 HydrophobicContact CB-CD2 3.72Å; N65-L69 PolarHBondContact O-N 2.83Å; N65-L69 VanDerWaalsContact O-N 3.09Å; M66-L69 PolarHBondContact O-N 3.46Å; M66-L69 HydrophobicContact SD-CD1 4.26Å; L69-M72 PolarHBondContact O-N 2.98Å; L69-L73 HydrophobicContact CB-CD1 4.48Å; L69-L73 WeakPolarHBondContact O-CB 3.19Å; L69-L73 WeakPolarHBondContact O-CD1 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.17Å; L69-A138 HydrophobicContact CD2-CB 4.19Å; L69-A142 HydrophobicContact CD1-CB 3.51Å; L69-A142 HydrophobicContact CG-CB 4.21Å
70R98.3Very high97.4Very high91 Ų9153.2 Ų53.234%0.34325%0.249SC..Hα-helixtrans-56.3-54.2175-178.3-175.3179.5-116.91.8111.2M66 I68 M72 L73 L74 M114 E115 L117M66-R70 WeakPolarHBondContact O-CB 3.32Å; M66-R70 PolarHBondContact O-N 3.44Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.27Å; R70-M72 PolarHBondContact O-N 3.08Å; R70-L73 PolarHBondContact O-N 3.12Å; R70-L73 VanDerWaalsContact O-N 3.08Å; R70-L74 HydrophobicContact CG-CD1 3.98Å; R70-L74 HydrophobicContact CG-CG 4.1Å; R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.4Å; R70-L74 PolarHBondContact O-N 2.88Å; R70-M114 HydrophobicContact CB-SD 3.98Å; R70-M114 HydrophobicContact CG-CB 4.39Å; R70-M114 WeakPolarHBondContact CG-O 3.4Å; R70-M114 HydrophobicContact CG-SD 4.19Å; R70-M114 PolarHBondContact NE-O 3.38Å; R70-E115 PolarHBondContact NH2-O 3.34Å; R70-L117 HydrophobicContact CB-CD2 4.17Å; R70-L117 HydrophobicContact CG-CD2 4.48Å
71L98Very high97.5Very high132 Ų13254 Ų5469%0.69126%0.257SS*.Hα-helixtrans-55.9-42.1-179.6-178.763.9000111.8K67 I68 L73K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 PolarHBondContact O-N 2.83Å; I68-L71 PolarHBondContact O-N 2.65Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.47Å
72M97.8Very high97.6Very high38 Ų3847.7 Ų47.719%0.18723%0.234CC..Hα-helixtrans-73.6-20.2-179.6-66.8-179.577.300114.1L48 L51 A52 I68 L69 R70 H75L48-M72 HydrophobicContact CB-CE 4.2Å; L48-M72 WeakPolarHBondContact CD1-O 3.46Å; L48-M72 HydrophobicContact CD2-CE 4.08Å; L48-M72 WeakPolarHBondContact O-CE 3.35Å; L51-M72 HydrophobicContact CB-CE 3.69Å; A52-M72 HydrophobicContact CB-CE 4.11Å; A52-M72 HydrophobicContact CB-SD 3.55Å; A52-M72 VanDerWaalsContact CB-SD 3.55Å; I68-M72 HydrophobicContact CG2-CG 4.45Å; I68-M72 HydrophobicContact CG2-SD 3.82Å; I68-M72 VanDerWaalsContact O-CG 3.31Å; I68-M72 WeakPolarHBondContact O-CG 3.29Å; I68-M72 PolarHBondContact O-N 3.15Å; L69-M72 PolarHBondContact O-N 2.98Å; R70-M72 PolarHBondContact O-N 3.08Å; M72-H75 PolarHBondContact O-CE1 3.48Å; M72-H75 PolarHBondContact O-ND1 2.67Å
73L98.3Very high97.7Very high21 Ų2152.9 Ų52.911%0.1125%0.249CC..Hα-helixtrans-101.9-22.6-176.6-67.6170000113I45 L48 L69 R70 L71 H75 I76 L110 M114I45-L73 HydrophobicContact CG1-CD2 4.08Å; L48-L73 HydrophobicContact CD1-CD2 4.18Å; L69-L73 HydrophobicContact CB-CD1 4.48Å; L69-L73 WeakPolarHBondContact O-CB 3.19Å; L69-L73 WeakPolarHBondContact O-CD1 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.17Å; R70-L73 PolarHBondContact O-N 3.12Å; R70-L73 VanDerWaalsContact O-N 3.08Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.47Å; L73-H75 PolarHBondContact O-N 2.94Å; L73-H75 VanDerWaalsContact O-N 3.16Å; L73-I76 HydrophobicContact CB-CD1 4.47Å; L73-I76 HydrophobicContact CD2-CD1 3.58Å; L73-I76 WeakPolarHBondContact O-CB 3.4Å; L73-I76 WeakPolarHBondContact O-CG1 3.48Å; L73-I76 PolarHBondContact O-N 2.91Å; L73-I76 VanDerWaalsContact O-N 3.12Å; L73-L110 HydrophobicContact CD1-CD1 4.1Å; L73-L110 HydrophobicContact CD1-CD2 4.06Å; L73-L110 HydrophobicContact CD1-CG 4.31Å; L73-L110 HydrophobicContact CD2-CD2 4.24Å; L73-M114 HydrophobicContact CB-CG 3.91Å; L73-M114 HydrophobicContact CD1-CG 4.26Å; L73-M114 HydrophobicContact CD1-SD 4.14Å
74L98Very high97.8Very high39 Ų3952.9 Ų52.920%0.20425%0.249CC..THydrogen-bonded Turntrans-56.1-32.8-175.8-85.6169.4000113.6R70 I76 M114 E115R70-L74 HydrophobicContact CG-CD1 3.98Å; R70-L74 HydrophobicContact CG-CG 4.1Å; R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.4Å; R70-L74 PolarHBondContact O-N 2.88Å; L74-I76 VanDerWaalsContact C-N 3.33Å; L74-I76 PolarHBondContact O-N 2.78Å; L74-M114 HydrophobicContact CD2-CB 4.13Å; L74-M114 WeakPolarHBondContact CD2-O 3.27Å; L74-M114 HydrophobicContact CG-CB 4.45Å; L74-E115 VanDerWaalsContact CD2-OE1 3.23Å; L74-E115 WeakPolarHBondContact CD2-OE1 3.46Å
75H97.8Very high97.8Very high64 Ų6453.6 Ų53.630%0.29625%0.253SS..THydrogen-bonded Turntrans-78.1-16.5-17771-72.3000114W44 M72 L73 K77 Y78W44-H75 AromaticContact CE2-NE2 3.94Å; W44-H75 AromaticContact CZ2-NE2 3.98Å; W44-H75 AromaticContact NE1-CE1 3.86Å; W44-H75 AromaticContact NE1-NE2 3.29Å; W44-H75 PolarHBondContact NE1-NE2 3.35Å; M72-H75 PolarHBondContact O-CE1 3.48Å; M72-H75 PolarHBondContact O-ND1 2.67Å; L73-H75 PolarHBondContact O-N 2.94Å; L73-H75 VanDerWaalsContact O-N 3.16Å; H75-K77 PolarHBondContact O-N 3.41Å; H75-K77 VanDerWaalsContact O-N 3.17Å; H75-Y78 HydrophobicContact CB-CD2 4.29Å; H75-Y78 WeakPolarHBondContact O-CB 3.29Å; H75-Y78 WeakPolarHBondContact O-CD2 3.28Å; H75-Y78 PolarHBondContact O-N 2.83Å
76I98.3Very high97.8Very high1 Ų156 Ų561%0.00527%0.267CS..Hα-helixtrans-57.4-37.7-174.2-63.5179.5000110.8Y41 I45 L48 L73 L74 Y78 L79 Y80 L111Y41-I76 HydrophobicContact CD2-CG2 3.94Å; Y41-I76 HydrophobicContact CE2-CG2 3.84Å; I45-I76 HydrophobicContact CG1-CD1 3.89Å; L48-I76 HydrophobicContact CD1-CD1 3.95Å; L48-I76 HydrophobicContact CD1-CG1 4.33Å; L73-I76 HydrophobicContact CB-CD1 4.47Å; L73-I76 HydrophobicContact CD2-CD1 3.58Å; L73-I76 WeakPolarHBondContact O-CB 3.4Å; L73-I76 WeakPolarHBondContact O-CG1 3.48Å; L73-I76 PolarHBondContact O-N 2.91Å; L73-I76 VanDerWaalsContact O-N 3.12Å; L74-I76 VanDerWaalsContact C-N 3.33Å; L74-I76 PolarHBondContact O-N 2.78Å; I76-Y78 PolarHBondContact O-N 2.79Å; I76-Y78 VanDerWaalsContact O-N 3.15Å; I76-L79 WeakPolarHBondContact O-CB 3.3Å; I76-L79 PolarHBondContact O-N 3.03Å; I76-Y80 HydrophobicContact CG2-CD2 4.15Å; I76-Y80 HydrophobicContact CG2-CE2 4Å; I76-Y80 WeakPolarHBondContact O-CD2 3.42Å; I76-L111 HydrophobicContact CB-CD2 3.88Å; I76-L111 HydrophobicContact CG2-CD2 3.85Å
77K97.7Very high97.9Very high13 Ų1361.2 Ų61.26%0.05729%0.286CS..Hα-helixtrans-55.3-35.2178.773.2-175.5-178.4-179.40112.6H75 Y80 G81 I82 V84 L111 E115H75-K77 PolarHBondContact O-N 3.41Å; H75-K77 VanDerWaalsContact O-N 3.17Å; K77-Y80 PolarHBondContact O-N 2.85Å; K77-G81 PolarHBondContact O-N 3.21Å; K77-G81 VanDerWaalsContact O-N 3.15Å; K77-I82 HydrophobicContact CB-CB 4.24Å; K77-I82 PolarHBondContact O-N 3.43Å; K77-V84 HydrophobicContact CD-CB 4.43Å; K77-V84 HydrophobicContact CD-CG2 3.97Å; K77-L111 HydrophobicContact CB-CD1 4.35Å; K77-E115 VanDerWaalsContact CD-OE1 3.3Å; K77-E115 WeakPolarHBondContact CD-OE1 3.35Å; K77-E115 WeakPolarHBondContact CE-OE1 3.46Å; K77-E115 IonicContact NZ-OE1 3.37Å; K77-E115 PolarHBondContact NZ-OE1 3.34Å; K77-E115 IonicContact NZ-OE2 3.77Å; K77-E115 PolarHBondContact NZ-OE2 3.32Å
78Y97.8Very high97.9Very high162 Ų16256 Ų5664%0.63527%0.266SS*.Hα-helixtrans-70.8-32.4179.2-56.6-60.8000112.3H75 I76 Y80 G81H75-Y78 HydrophobicContact CB-CD2 4.29Å; H75-Y78 WeakPolarHBondContact O-CB 3.29Å; H75-Y78 WeakPolarHBondContact O-CD2 3.28Å; H75-Y78 PolarHBondContact O-N 2.83Å; I76-Y78 PolarHBondContact O-N 2.79Å; I76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-Y80 PolarHBondContact O-N 2.91Å; Y78-Y80 VanDerWaalsContact O-N 3.17Å; Y78-G81 PolarHBondContact O-N 2.66Å; Y78-G81 VanDerWaalsContact O-N 3.12Å
79L97.5Very high97.8Very high85 Ų8557 Ų5745%0.44528%0.279SS..Hα-helixtrans-62.7-22.4175.3-54.1179.8000112.5F40 I76F40-L79 HydrophobicContact CE1-CD1 3.97Å; F40-L79 HydrophobicContact CZ-CD1 4.3Å; I76-L79 WeakPolarHBondContact O-CB 3.3Å; I76-L79 PolarHBondContact O-N 3.03Å
80Y97.1Very high97.8Very high14 Ų1463.5 Ų63.56%0.05531%0.309CS..THydrogen-bonded Turntrans-108.10.3178.7-68.8-92.1000113.3K37 F40 Y41 I76 K77 Y78 I82 F224 S226K37-Y80 HydrophobicContact CB-CE1 3.98Å; K37-Y80 HydrophobicContact CD-CD1 4.5Å; K37-Y80 HydrophobicContact CD-CE1 4.4Å; K37-Y80 HydrophobicContact CG-CE1 4.17Å; K37-Y80 PolarHBondContact O-OH 2.82Å; F40-Y80 HydrophobicContact CD1-CE2 4.36Å; F40-Y80 VanDerWaalsContact CD1-OH 3.32Å; F40-Y80 WeakPolarHBondContact CD1-OH 3.08Å; Y41-Y80 WeakPolarHBondContact CA-OH 3.2Å; Y41-Y80 WeakPolarHBondContact CB-OH 3.2Å; Y41-Y80 AromaticContact CD2-CE2 3.99Å; Y41-Y80 HydrophobicContact CD2-CE2 3.99Å; Y41-Y80 PolarHBondContact N-OH 2.83Å; I76-Y80 HydrophobicContact CG2-CD2 4.15Å; I76-Y80 HydrophobicContact CG2-CE2 4Å; I76-Y80 WeakPolarHBondContact O-CD2 3.42Å; K77-Y80 PolarHBondContact O-N 2.85Å; Y78-Y80 PolarHBondContact O-N 2.91Å; Y78-Y80 VanDerWaalsContact O-N 3.17Å; Y80-I82 VanDerWaalsContact C-N 3.27Å; Y80-I82 PolarHBondContact O-N 3.06Å; Y80-F224 HydrophobicContact CD1-CD1 4.29Å; Y80-F224 HydrophobicContact CD1-CD2 4.26Å; Y80-F224 AromaticContact CD1-CE1 3.63Å; Y80-F224 HydrophobicContact CD1-CE1 3.63Å; Y80-F224 AromaticContact CD1-CE2 3.58Å; Y80-F224 HydrophobicContact CD1-CE2 3.58Å; Y80-F224 AromaticContact CD1-CZ 3.19Å; Y80-F224 HydrophobicContact CD1-CZ 3.19Å; Y80-F224 HydrophobicContact CD2-CZ 4.38Å; Y80-F224 HydrophobicContact CE1-CD1 4.05Å; Y80-F224 AromaticContact CE1-CE1 3.36Å; Y80-F224 HydrophobicContact CE1-CE1 3.36Å; Y80-F224 HydrophobicContact CE1-CE2 4.22Å; Y80-F224 AromaticContact CE1-CZ 3.44Å; Y80-F224 HydrophobicContact CE1-CZ 3.44Å; Y80-F224 VanDerWaalsContact CE1-CZ 3.44Å; Y80-F224 HydrophobicContact CG-CE1 4.48Å; Y80-F224 HydrophobicContact CG-CE2 4.08Å; Y80-F224 AromaticContact CG-CZ 3.72Å; Y80-F224 HydrophobicContact CG-CZ 3.72Å; Y80-S226 WeakPolarHBondContact O-CA 3.44Å
81G97.5Very high97.8Very high42 Ų4261.6 Ų61.643%0.43330%0.304SS..THydrogen-bonded Turntrans61.335.5-174.300000112.8K77 Y78 S226 G227K77-G81 PolarHBondContact O-N 3.21Å; K77-G81 VanDerWaalsContact O-N 3.15Å; Y78-G81 PolarHBondContact O-N 2.66Å; Y78-G81 VanDerWaalsContact O-N 3.12Å; G81-S226 WeakPolarHBondContact O-CA 3.05Å; G81-S226 WeakPolarHBondContact O-CB 3.34Å; G81-G227 PolarHBondContact O-N 3.25Å
82I97.9Very high97.7Very high6 Ų657.1 Ų57.13%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-93.6118.4175.6-60167.1000108.6K77 Y80 V84 L108 L111 F216 F224 G227 C229K77-I82 HydrophobicContact CB-CB 4.24Å; K77-I82 PolarHBondContact O-N 3.43Å; Y80-I82 VanDerWaalsContact C-N 3.27Å; Y80-I82 PolarHBondContact O-N 3.06Å; I82-V84 HydrophobicContact CG2-CG2 4.19Å; I82-L108 HydrophobicContact CD1-CD2 4.44Å; I82-L111 HydrophobicContact CD1-CD1 3.52Å; I82-F216 HydrophobicContact CD1-CD2 4.21Å; I82-F216 HydrophobicContact CD1-CE2 3.79Å; I82-F216 HydrophobicContact CG1-CD2 4.26Å; I82-F216 HydrophobicContact CG1-CE2 4.18Å; I82-F216 HydrophobicContact CG2-CZ 4.42Å; I82-F224 HydrophobicContact CD1-CE2 4.05Å; I82-G227 WeakPolarHBondContact CA-O 3.4Å; I82-C229 HydrophobicContact CG2-CB 4.49Å
83R97.3Very high97.6Very high165 Ų16556.1 Ų56.162%0.62328%0.275SS*.EExtended strand (participates in β ladder)trans-88.5124.4169.5-173.4178.6-178.1179.2-0.3108.9G227 Q228 C229R83-G227 PolarHBondContact N-O 3.36Å; R83-Q228 HydrophobicContact CB-CG 4.29Å; R83-Q228 CarbonylContact O-C 3.54Å; R83-Q228 VanDerWaalsContact O-CA 3.31Å; R83-Q228 WeakPolarHBondContact O-CA 3.28Å; R83-C229 PolarHBondContact O-N 3.34Å
84V97.7Very high97.1Very high16 Ų1661 Ų6110%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-105122.5171.6-173.50000108.5K77 I82 V86 E115 C229 V231K77-V84 HydrophobicContact CD-CB 4.43Å; K77-V84 HydrophobicContact CD-CG2 3.97Å; I82-V84 HydrophobicContact CG2-CG2 4.19Å; V84-V86 HydrophobicContact CG1-CG2 4.42Å; V84-E115 HydrophobicContact CB-CG 3.88Å; V84-E115 HydrophobicContact CG1-CB 4.34Å; V84-E115 HydrophobicContact CG1-CG 3.74Å; V84-E115 HydrophobicContact CG2-CG 4.26Å; V84-C229 CarbonylContact C-O 3.47Å; V84-C229 VanDerWaalsContact CA-O 3.29Å; V84-C229 WeakPolarHBondContact CA-O 3.35Å; V84-C229 HydrophobicContact CG2-CB 4.39Å; V84-V231 HydrophobicContact CG1-CG2 3.6Å
85E97.7Very high96.6Very high60 Ų6064.2 Ų64.228%0.2833%0.333SS..EExtended strand (participates in β ladder)trans-106.3120.4174.5-175.2-179.6161.500109.3R87 C229 Q230 V231E85-R87 IonicContact OE1-CZ 2.65Å; E85-R87 IonicContact OE1-NE 2.71Å; E85-R87 PolarHBondContact OE1-NE 3.29Å; E85-R87 IonicContact OE1-NH2 3.93Å; E85-R87 PolarHBondContact OE1-NH2 2.83Å; E85-C229 PolarHBondContact N-O 2.98Å; E85-Q230 CarbonylContact O-C 3.47Å; E85-Q230 WeakPolarHBondContact O-CA 3.26Å; E85-V231 PolarHBondContact O-N 2.88Å
86V98.4Very high96.3Very high50 Ų5065.2 Ų65.230%0.30334%0.338SS..EExtended strand (participates in β ladder)trans-102130.7179.2176.60000109.6V84 A89 E115 V116 V231V84-V86 HydrophobicContact CG1-CG2 4.42Å; V86-A89 HydrophobicContact CG1-CB 4.16Å; V86-E115 HydrophobicContact CG2-CB 3.9Å; V86-V116 HydrophobicContact CB-CG1 4.01Å; V86-V116 HydrophobicContact CG1-CG1 3.35Å; V86-V116 HydrophobicContact CG2-CG1 3.39Å; V86-V231 CarbonylContact C-O 3.57Å; V86-V231 WeakPolarHBondContact CA-O 3.46Å; V86-V231 HydrophobicContact CG2-CB 4.29Å
87R98.4Very high96.2Very high121 Ų12166 Ų6646%0.45734%0.343SS..EExtended strand (participates in β ladder)trans-129148.4168.6-59.2-177.5180-174.92.3110.7E85 V231 R232 V233E85-R87 IonicContact OE1-CZ 2.65Å; E85-R87 IonicContact OE1-NE 2.71Å; E85-R87 PolarHBondContact OE1-NE 3.29Å; E85-R87 IonicContact OE1-NH2 3.93Å; E85-R87 PolarHBondContact OE1-NH2 2.83Å; R87-V231 PolarHBondContact N-O 3.29Å; R87-R232 VanDerWaalsContact CB-NH1 3.34Å; R87-V233 PolarHBondContact O-N 3.05Å
88G98.2Very high96.2Very high9 Ų965.7 Ų65.79%0.09334%0.342CS..  trans8510.4177.300000115.3H90 H91 V233G88-H90 PolarHBondContact O-N 3.16Å; G88-H91 WeakPolarHBondContact O-CB 3.28Å; G88-H91 PolarHBondContact O-N 3.43Å; G88-H91 PolarHBondContact O-ND1 3.43Å; G88-V233 WeakPolarHBondContact O-CB 3.49Å
89A97Very high96.2Very high52 Ų5258 Ų5843%0.4331%0.312SS..G310 helixtrans-58-21.3-178.900000114.2V86 H91 F92V86-A89 HydrophobicContact CG1-CB 4.16Å; A89-H91 PolarHBondContact O-N 2.87Å; A89-F92 WeakPolarHBondContact O-CD2 3.25Å; A89-F92 PolarHBondContact O-N 2.88Å
90H96.9Very high96.3Very high153 Ų15353.9 Ų53.971%0.70829%0.29SS*.G310 helixtrans-68.2-13.6172.658.6-93.4000113.7G88 F92G88-H90 PolarHBondContact O-N 3.16Å; H90-F92 PolarHBondContact O-N 3.3Å
91H97.8Very high96.4Very high51 Ų5153.2 Ų53.224%0.23629%0.288CS..G310 helixtrans-73.8-12.1175.9-66.3148.7000113.5G88 A89 P93 V233 P236G88-H91 WeakPolarHBondContact O-CB 3.28Å; G88-H91 PolarHBondContact O-N 3.43Å; G88-H91 PolarHBondContact O-ND1 3.43Å; A89-H91 PolarHBondContact O-N 2.87Å; H91-P93 WeakPolarHBondContact O-CD 3.37Å; H91-V233 HydrophobicContact CB-CG1 4.14Å; H91-V233 PolarHBondContact ND1-O 3.3Å; H91-P236 WeakPolarHBondContact O-CD 3.21Å; H91-P236 WeakPolarHBondContact O-CG 3.33Å
92F97.4Very high96.4Very high38 Ų3851.2 Ų51.217%0.16727%0.267CS..SBendtrans-63.6126176.3-74.2-57.1000110.7A89 H90 Y98 V116 P118 V206 I208 V233A89-F92 WeakPolarHBondContact O-CD2 3.25Å; A89-F92 PolarHBondContact O-N 2.88Å; H90-F92 PolarHBondContact O-N 3.3Å; F92-Y98 AromaticContact CD1-CE2 3.88Å; F92-Y98 HydrophobicContact CD1-CE2 3.88Å; F92-Y98 AromaticContact CD1-CZ 3.81Å; F92-Y98 VanDerWaalsContact CD1-OH 3.27Å; F92-Y98 WeakPolarHBondContact CD1-OH 3.24Å; F92-Y98 HydrophobicContact CE1-CE2 4.29Å; F92-V116 HydrophobicContact CE2-CB 4.42Å; F92-V116 HydrophobicContact CZ-CB 4.31Å; F92-V116 WeakPolarHBondContact CZ-O 3.47Å; F92-P118 HydrophobicContact CD1-CG 4.07Å; F92-P118 HydrophobicContact CE1-CG 3.65Å; F92-P118 HydrophobicContact CZ-CG 3.97Å; F92-V206 HydrophobicContact CD1-CG1 3.93Å; F92-V206 HydrophobicContact CE1-CG1 3.85Å; F92-I208 HydrophobicContact CE1-CD1 3.9Å; F92-I208 HydrophobicContact CZ-CD1 3.72Å; F92-V233 HydrophobicContact CD1-CG1 4.22Å; F92-V233 HydrophobicContact CD2-CG1 4.47Å; F92-V233 HydrophobicContact CE1-CG1 3.87Å; F92-V233 HydrophobicContact CE2-CG1 4.14Å; F92-V233 HydrophobicContact CE2-CG2 3.92Å; F92-V233 HydrophobicContact CG-CG1 4.5Å; F92-V233 HydrophobicContact CZ-CB 4.48Å; F92-V233 HydrophobicContact CZ-CG1 3.83Å; F92-V233 HydrophobicContact CZ-CG2 3.79Å
93P94.6Very high96.4Very high17 Ų1751 Ų5111%0.1127%0.266CS..  trans-58129.1173.5-24.533.2000111H91 Q96 Y98 P204 V206 P236H91-P93 WeakPolarHBondContact O-CD 3.37Å; P93-Q96 HydrophobicContact CB-CG 3.62Å; P93-Y98 HydrophobicContact CB-CD1 3.9Å; P93-Y98 HydrophobicContact CB-CE1 4.05Å; P93-Y98 HydrophobicContact CG-CD1 3.73Å; P93-Y98 HydrophobicContact CG-CE1 4.06Å; P93-Y98 HydrophobicContact CG-CG 4.3Å; P93-Y98 WeakPolarHBondContact O-CE1 3.43Å; P93-P204 HydrophobicContact CG-CG 4.23Å; P93-V206 HydrophobicContact CG-CG2 4.21Å; P93-P236 HydrophobicContact CG-CB 4.34Å; P93-P236 HydrophobicContact CG-CG 3.89Å
94P89.2Confident96.4Very high123 Ų12344.1 Ų44.180%0.79924%0.241SC*.SBendtrans-76.5-31.4-171.627.9-34.7000113.7
95S85.6Confident96.3Very high106 Ų10643.8 Ų43.874%0.74124%0.238SC*.SBendtrans-137.831.3-163.858.20000114
96Q91.8Very high96.3Very high85 Ų8541 Ų4140%0.39723%0.225SC..SBendtrans-148.3157.1173.760.9-172.278.100112P93 Y98 R172P93-Q96 HydrophobicContact CB-CG 3.62Å; Q96-Y98 VanDerWaalsContact O-CD1 3.27Å; Q96-Y98 WeakPolarHBondContact O-CD1 3.5Å; Q96-R172 PolarHBondContact O-NE 2.99Å; Q96-R172 PolarHBondContact O-NH2 3.41Å; Q96-R172 VanDerWaalsContact O-NH2 3.15Å
97P96.7Very high96.1Very high18 Ų1839.8 Ų39.812%0.11722%0.219CC..  trans-67.9156.8166.827.5-33.5000111.1L166 L167 V171 V203P97-L166 HydrophobicContact CB-CB 4.4Å; P97-L166 HydrophobicContact CB-CD2 4.4Å; P97-L166 WeakPolarHBondContact CB-O 3.09Å; P97-L167 HydrophobicContact CG-CD2 4.02Å; P97-V171 WeakPolarHBondContact CB-O 3.11Å; P97-V203 HydrophobicContact CB-CG1 4.3Å; P97-V203 HydrophobicContact CG-CG1 3.89Å
98Y98.1Very high96Very high6 Ų634.2 Ų34.22%0.02420%0.198CC..  trans-161162.7178.150.4-96.2000111.4F92 P93 Q96 V100 P118 R172 V173 P204 V206F92-Y98 AromaticContact CD1-CE2 3.88Å; F92-Y98 HydrophobicContact CD1-CE2 3.88Å; F92-Y98 AromaticContact CD1-CZ 3.81Å; F92-Y98 VanDerWaalsContact CD1-OH 3.27Å; F92-Y98 WeakPolarHBondContact CD1-OH 3.24Å; F92-Y98 HydrophobicContact CE1-CE2 4.29Å; P93-Y98 HydrophobicContact CB-CD1 3.9Å; P93-Y98 HydrophobicContact CB-CE1 4.05Å; P93-Y98 HydrophobicContact CG-CD1 3.73Å; P93-Y98 HydrophobicContact CG-CE1 4.06Å; P93-Y98 HydrophobicContact CG-CG 4.3Å; P93-Y98 WeakPolarHBondContact O-CE1 3.43Å; Q96-Y98 VanDerWaalsContact O-CD1 3.27Å; Q96-Y98 WeakPolarHBondContact O-CD1 3.5Å; Y98-V100 HydrophobicContact CD2-CG2 3.82Å; Y98-V100 HydrophobicContact CE2-CG2 3.65Å; Y98-P118 HydrophobicContact CE2-CB 4.37Å; Y98-P118 HydrophobicContact CE2-CG 3.97Å; Y98-P118 WeakPolarHBondContact OH-CB 3.3Å; Y98-P118 WeakPolarHBondContact OH-CG 3.32Å; Y98-R172 HydrophobicContact CD1-CG 3.81Å; Y98-R172 HydrophobicContact CD2-CB 4.28Å; Y98-R172 HydrophobicContact CD2-CG 3.96Å; Y98-R172 HydrophobicContact CE1-CG 3.65Å; Y98-R172 HydrophobicContact CE2-CB 4.18Å; Y98-R172 HydrophobicContact CE2-CG 3.8Å; Y98-R172 HydrophobicContact CG-CG 3.97Å; Y98-R172 WeakPolarHBondContact O-CA 3.47Å; Y98-V173 PolarHBondContact O-N 3.38Å; Y98-V173 VanDerWaalsContact O-N 3.15Å; Y98-P204 WeakPolarHBondContact CA-O 3.44Å; Y98-P204 VanDerWaalsContact CB-O 3.24Å; Y98-P204 WeakPolarHBondContact CB-O 3.4Å; Y98-V206 HydrophobicContact CD2-CB 4.1Å; Y98-V206 HydrophobicContact CD2-CG2 3.5Å; Y98-V206 HydrophobicContact CE2-CB 4.4Å; Y98-V206 HydrophobicContact CE2-CG2 3.93Å; Y98-V206 HydrophobicContact CG-CG2 3.87Å
99V98.4Very high96Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-101117.9174.2178.60000108.9V101 L166 V173 V175 A194 L197 A198 V203 P204 I205 V206V99-V101 HydrophobicContact CG1-CG1 4.19Å; V99-L166 HydrophobicContact CG2-CD1 4.07Å; V99-V173 CarbonylContact C-O 3.48Å; V99-V173 WeakPolarHBondContact CA-O 3.45Å; V99-V175 HydrophobicContact CG1-CG2 4.11Å; V99-A194 HydrophobicContact CG1-CB 4.33Å; V99-L197 HydrophobicContact CG2-CD2 3.95Å; V99-L197 HydrophobicContact CG2-CG 3.87Å; V99-A198 HydrophobicContact CB-CB 4.08Å; V99-A198 HydrophobicContact CG2-CB 3.85Å; V99-V203 HydrophobicContact CG2-CG2 4.02Å; V99-P204 PolarHBondContact N-O 3.09Å; V99-I205 CarbonylContact O-C 3.53Å; V99-I205 VanDerWaalsContact O-CA 3.26Å; V99-I205 WeakPolarHBondContact O-CA 3.44Å; V99-V206 PolarHBondContact O-N 2.89Å
100V98.6Very high96Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-82131.4169.1178.40000108.9Y98 P118 V173 W174 V175 V206 I208Y98-V100 HydrophobicContact CD2-CG2 3.82Å; Y98-V100 HydrophobicContact CE2-CG2 3.65Å; V100-P118 HydrophobicContact CG2-CG 4.22Å; V100-V173 PolarHBondContact N-O 2.83Å; V100-W174 HydrophobicContact CB-CB 4.39Å; V100-W174 HydrophobicContact CB-CD2 4.06Å; V100-W174 HydrophobicContact CB-CE3 4.01Å; V100-W174 HydrophobicContact CB-CG 4.26Å; V100-W174 HydrophobicContact CG1-CD2 3.57Å; V100-W174 HydrophobicContact CG1-CE3 3.56Å; V100-W174 HydrophobicContact CG1-CG 4.17Å; V100-W174 HydrophobicContact CG1-CH2 4.09Å; V100-W174 HydrophobicContact CG1-CZ2 4.09Å; V100-W174 HydrophobicContact CG1-CZ3 3.83Å; V100-W174 HydrophobicContact CG2-CE3 4.29Å; V100-V175 PolarHBondContact O-N 2.87Å; V100-V206 WeakPolarHBondContact CA-O 3.37Å; V100-V206 HydrophobicContact CG2-CB 4.39Å; V100-I208 HydrophobicContact CG1-CB 4.4Å; V100-I208 HydrophobicContact CG1-CD1 3.51Å; V100-I208 HydrophobicContact CG1-CG1 3.87Å
101V98.7Very high96.1Very high0 Ų026.7 Ų26.70%015%0.154CC..EExtended strand (participates in β ladder)trans-118.7129.8169.8-64.20000110.3V99 V175 P177 A194 F195 I205 V206 P207 I208 V254 M258V99-V101 HydrophobicContact CG1-CG1 4.19Å; V101-V175 WeakPolarHBondContact CA-O 3.33Å; V101-P177 HydrophobicContact CB-CG 4.07Å; V101-P177 HydrophobicContact CG1-CG 4.41Å; V101-A194 HydrophobicContact CG1-CB 3.86Å; V101-F195 HydrophobicContact CG1-CZ 4.43Å; V101-I205 HydrophobicContact CB-CG2 4.32Å; V101-I205 HydrophobicContact CG1-CG2 3.97Å; V101-I205 HydrophobicContact CG2-CG2 3.45Å; V101-I205 VanDerWaalsContact CG2-CG2 3.45Å; V101-V206 PolarHBondContact N-O 3.03Å; V101-P207 HydrophobicContact CG2-CB 4.19Å; V101-P207 CarbonylContact O-C 3.51Å; V101-P207 WeakPolarHBondContact O-CA 3.44Å; V101-I208 PolarHBondContact O-N 2.95Å; V101-V254 HydrophobicContact CG2-CG1 3.89Å; V101-M258 HydrophobicContact CG2-SD 3.91Å
102S98.5Very high96.1Very high0 Ų024.3 Ų24.30%014%0.143CC..EExtended strand (participates in β ladder)trans-135.8152.7178.175.70000113.5W174 V175 F176 P177 I208S102-W174 WeakPolarHBondContact OG-CZ2 3.36Å; S102-W174 PolarHBondContact OG-NE1 2.91Å; S102-V175 PolarHBondContact N-O 3.04Å; S102-V175 VanDerWaalsContact N-O 3.13Å; S102-F176 WeakPolarHBondContact OG-CD1 3.35Å; S102-F176 WeakPolarHBondContact OG-CE1 3.38Å; S102-P177 WeakPolarHBondContact O-CD 3.21Å; S102-I208 WeakPolarHBondContact CA-O 3.44Å; S102-I208 VanDerWaalsContact CB-O 3.26Å; S102-I208 WeakPolarHBondContact CB-O 3.44Å
103N98.2Very high96.1Very high0 Ų022.9 Ų22.90%014%0.137CC..  trans-63153.7170.562.6-58.7000111.3Q105 F176 E178 M187 V209 M210N103-Q105 PolarHBondContact ND2-NE2 3.02Å; N103-F176 WeakPolarHBondContact O-CD1 3.17Å; N103-F176 WeakPolarHBondContact O-CE1 3.47Å; N103-E178 WeakPolarHBondContact CA-OE1 3.22Å; N103-E178 WeakPolarHBondContact CB-OE1 3.43Å; N103-M187 HydrophobicContact CB-CE 3.54Å; N103-M187 HydrophobicContact CB-CG 4.16Å; N103-M187 HydrophobicContact CB-SD 4.04Å; N103-V209 WeakPolarHBondContact OD1-CA 3.14Å; N103-M210 PolarHBondContact ND2-O 3.22Å; N103-M210 PolarHBondContact OD1-N 2.95Å
104H97.1Very high96.3Very high22 Ų2222.4 Ų22.410%0.10213%0.133CC..  trans-126.6101.5-172.9-162.828.6000110.6D109 F176 E178 R181 N182H104-D109 WeakPolarHBondContact CA-OD2 3.26Å; H104-D109 IonicContact CE1-OD2 3.07Å; H104-D109 PolarHBondContact CE1-OD2 3.08Å; H104-D109 IonicContact CG-OD2 3.4Å; H104-D109 IonicContact ND1-OD2 3.57Å; H104-D109 PolarHBondContact ND1-OD2 3.01Å; H104-F176 HydrophobicContact CB-CB 3.9Å; H104-F176 HydrophobicContact CB-CD1 3.58Å; H104-F176 HydrophobicContact CB-CE1 4.43Å; H104-F176 HydrophobicContact CB-CG 4.01Å; H104-F176 AromaticContact CG-CD1 3.65Å; H104-F176 AromaticContact CG-CG 3.81Å; H104-F176 AromaticContact ND1-CD1 3.55Å; H104-F176 AromaticContact ND1-CE1 3.74Å; H104-F176 AromaticContact ND1-CG 3.85Å; H104-E178 PolarHBondContact N-OE1 3.36Å; H104-R181 WeakPolarHBondContact NE2-CG 3.19Å; H104-R181 CarbonylContact O-C 3.58Å; H104-R181 WeakPolarHBondContact O-CA 3.4Å; H104-N182 PolarHBondContact O-N 2.82Å
105Q96.1Very high96.7Very high9 Ų918.4 Ų18.44%0.04210%0.104CC..  trans-103.6-40.3-174.8-62.2-178.981.100112.6N103 D109 N182 H183 M210 S211 Y213N103-Q105 PolarHBondContact ND2-NE2 3.02Å; Q105-D109 PolarHBondContact N-OD1 2.98Å; Q105-D109 PolarHBondContact N-OD2 3.19Å; Q105-N182 WeakPolarHBondContact CA-O 3.5Å; Q105-H183 PolarHBondContact O-CE1 2.84Å; Q105-H183 PolarHBondContact O-ND1 3.39Å; Q105-M210 PolarHBondContact NE2-O 3.15Å; Q105-S211 PolarHBondContact NE2-O 3.37Å; Q105-Y213 HydrophobicContact CB-CD2 3.95Å; Q105-Y213 HydrophobicContact CB-CE2 3.76Å
106S95.7Very high97.2Very high1 Ų113.8 Ų13.81%0.0077%0.071CC..SBendtrans-164.9-175.1-174.373.70000112.9L108 D109S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 VanDerWaalsContact OG-CB 3.3Å; S106-L108 WeakPolarHBondContact OG-CB 3.34Å; S106-L108 PolarHBondContact OG-N 3.29Å; S106-D109 PolarHBondContact N-OD1 2.89Å; S106-D109 PolarHBondContact N-OD2 2.81Å; S106-D109 WeakPolarHBondContact O-CB 3.46Å; S106-D109 PolarHBondContact O-N 3.07Å
107S95.1Very high97.5Very high25 Ų2510.4 Ų10.418%0.1756%0.056CC..THydrogen-bonded Turntrans-66.6-16.3167.551.20000113.2Y41 D109 L110Y41-S107 PolarHBondContact OH-O 2.66Å; S107-D109 PolarHBondContact O-N 3.16Å; S107-L110 WeakPolarHBondContact O-CB 3.18Å; S107-L110 PolarHBondContact O-N 3.32Å
108L97.1Very high97.5Very high3 Ų310.1 Ų10.12%0.0165%0.054CC..THydrogen-bonded Turntrans-76.8-9.6176.5-65.7145.1000112.9Y41 I82 S106 L110 L111 Y213 Y217 F224Y41-L108 HydrophobicContact CD2-CD2 4.32Å; Y41-L108 HydrophobicContact CE2-CD2 3.84Å; I82-L108 HydrophobicContact CD1-CD2 4.44Å; S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 VanDerWaalsContact OG-CB 3.3Å; S106-L108 WeakPolarHBondContact OG-CB 3.34Å; S106-L108 PolarHBondContact OG-N 3.29Å; L108-L110 PolarHBondContact O-N 2.93Å; L108-L111 HydrophobicContact CD2-CD1 3.64Å; L108-L111 HydrophobicContact CD2-CG 4.33Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.34Å; L108-Y213 HydrophobicContact CB-CD2 4.32Å; L108-Y213 HydrophobicContact CB-CE2 4.13Å; L108-Y217 HydrophobicContact CD1-CD1 3.55Å; L108-Y217 HydrophobicContact CD1-CD2 3.23Å; L108-Y217 HydrophobicContact CD1-CE1 3.82Å; L108-Y217 HydrophobicContact CD1-CE2 3.52Å; L108-Y217 HydrophobicContact CD1-CG 3.23Å; L108-F224 HydrophobicContact CD1-CE2 4.4Å; L108-F224 HydrophobicContact CD1-CZ 4.26Å; L108-F224 HydrophobicContact CD2-CE1 4.13Å; L108-F224 HydrophobicContact CD2-CE2 4Å; L108-F224 HydrophobicContact CD2-CZ 3.43Å; L108-F224 VanDerWaalsContact CD2-CZ 3.43Å; L108-F224 HydrophobicContact CG-CZ 4.44Å
109D97.6Very high97.3Very high2 Ų212.1 Ų12.11%0.0118%0.077CC..Hα-helixtrans-55.3-25.5169.2-61.3-24.9000111.3H104 Q105 S106 S107 L111 G112 M113 F176 M210 Y213H104-D109 WeakPolarHBondContact CA-OD2 3.26Å; H104-D109 IonicContact CE1-OD2 3.07Å; H104-D109 PolarHBondContact CE1-OD2 3.08Å; H104-D109 IonicContact CG-OD2 3.4Å; H104-D109 IonicContact ND1-OD2 3.57Å; H104-D109 PolarHBondContact ND1-OD2 3.01Å; Q105-D109 PolarHBondContact N-OD1 2.98Å; Q105-D109 PolarHBondContact N-OD2 3.19Å; S106-D109 PolarHBondContact N-OD1 2.89Å; S106-D109 PolarHBondContact N-OD2 2.81Å; S106-D109 WeakPolarHBondContact O-CB 3.46Å; S106-D109 PolarHBondContact O-N 3.07Å; S107-D109 PolarHBondContact O-N 3.16Å; D109-L111 PolarHBondContact O-N 3.48Å; D109-G112 PolarHBondContact O-N 3.47Å; D109-M113 WeakPolarHBondContact O-CB 3.48Å; D109-M113 PolarHBondContact O-N 2.88Å; D109-F176 HydrophobicContact CB-CE1 4.15Å; D109-F176 HydrophobicContact CB-CZ 4.26Å; D109-M210 HydrophobicContact CB-SD 4.24Å; D109-Y213 WeakPolarHBondContact CA-OH 3.35Å; D109-Y213 WeakPolarHBondContact OD1-CE2 3.45Å; D109-Y213 VanDerWaalsContact OD1-CZ 3.25Å; D109-Y213 PolarHBondContact OD1-OH 2.85Å
110L97.4Very high97.2Very high44 Ų4415.4 Ų15.423%0.239%0.089CC..Hα-helixtrans-54.9-40.1172.1-17364.7000112.1I45 L73 S107 L108 M113 M114I45-L110 HydrophobicContact CD1-CD2 3.76Å; I45-L110 HydrophobicContact CG1-CD2 4.41Å; L73-L110 HydrophobicContact CD1-CD1 4.1Å; L73-L110 HydrophobicContact CD1-CD2 4.06Å; L73-L110 HydrophobicContact CD1-CG 4.31Å; L73-L110 HydrophobicContact CD2-CD2 4.24Å; S107-L110 WeakPolarHBondContact O-CB 3.18Å; S107-L110 PolarHBondContact O-N 3.32Å; L108-L110 PolarHBondContact O-N 2.93Å; L110-M113 PolarHBondContact O-N 2.89Å; L110-M114 HydrophobicContact CD1-CE 3.73Å; L110-M114 HydrophobicContact CD1-CG 4.14Å; L110-M114 HydrophobicContact CD1-SD 4.43Å; L110-M114 HydrophobicContact CG-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.41Å; L110-M114 WeakPolarHBondContact O-CG 3.47Å; L110-M114 PolarHBondContact O-N 3.3Å
111L97.9Very high97.1Very high11 Ų1115.4 Ų15.46%0.0589%0.089CC..Hα-helixtrans-64.2-49.8-179.3-57.9-175.2000111Y41 I76 K77 I82 L108 D109 E115Y41-L111 HydrophobicContact CE2-CD1 4.48Å; Y41-L111 HydrophobicContact CE2-CD2 4.13Å; Y41-L111 HydrophobicContact CE2-CG 4.38Å; I76-L111 HydrophobicContact CB-CD2 3.88Å; I76-L111 HydrophobicContact CG2-CD2 3.85Å; K77-L111 HydrophobicContact CB-CD1 4.35Å; I82-L111 HydrophobicContact CD1-CD1 3.52Å; L108-L111 HydrophobicContact CD2-CD1 3.64Å; L108-L111 HydrophobicContact CD2-CG 4.33Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 3.34Å; D109-L111 PolarHBondContact O-N 3.48Å; L111-E115 WeakPolarHBondContact O-CG 3.27Å
112G97.4Very high97Very high1 Ų115.8 Ų15.81%0.019%0.091CC..Hα-helixtrans-65.9-40.7176.800000112.3D109 M114 E115D109-G112 PolarHBondContact O-N 3.47Å; G112-M114 PolarHBondContact O-N 2.79Å; G112-E115 WeakPolarHBondContact O-CB 3.23Å; G112-E115 PolarHBondContact O-N 3.02Å
113M98.3Very high96.9Very high8 Ų816.8 Ų16.84%0.03910%0.098CC..Hα-helixtrans-61.1-44.8178.6-178-177.8168.900111.7D109 L110 E115 V116 L117 P123 W174 F176 M210D109-M113 WeakPolarHBondContact O-CB 3.48Å; D109-M113 PolarHBondContact O-N 2.88Å; L110-M113 PolarHBondContact O-N 2.89Å; M113-E115 VanDerWaalsContact C-N 3.26Å; M113-E115 PolarHBondContact O-N 3.26Å; M113-V116 CarbonylContact O-C 3.52Å; M113-V116 PolarHBondContact O-N 3.48Å; M113-L117 HydrophobicContact CE-CD1 3.5Å; M113-L117 HydrophobicContact CG-CD1 4.42Å; M113-L117 WeakPolarHBondContact O-CA 3.2Å; M113-L117 WeakPolarHBondContact O-CB 3.38Å; M113-L117 PolarHBondContact O-N 2.93Å; M113-P123 HydrophobicContact CE-CB 3.86Å; M113-P123 HydrophobicContact CE-CG 3.77Å; M113-W174 HydrophobicContact CB-CH2 4.22Å; M113-W174 HydrophobicContact CB-CZ2 4.18Å; M113-W174 HydrophobicContact CE-CB 4.09Å; M113-W174 HydrophobicContact CE-CD2 3.9Å; M113-W174 HydrophobicContact CE-CE3 4.1Å; M113-W174 HydrophobicContact CE-CG 3.89Å; M113-W174 HydrophobicContact CG-CD2 4.01Å; M113-W174 HydrophobicContact CG-CE3 4Å; M113-W174 HydrophobicContact CG-CH2 3.85Å; M113-W174 HydrophobicContact CG-CZ2 3.87Å; M113-W174 HydrophobicContact CG-CZ3 3.91Å; M113-W174 HydrophobicContact SD-CD2 4.19Å; M113-W174 HydrophobicContact SD-CG 4.38Å; M113-F176 HydrophobicContact SD-CZ 4.37Å; M113-M210 HydrophobicContact CB-CE 4.09Å
114M98Very high96.8Very high6 Ų617 Ų173%0.0310%0.099CC..Hα-helixtrans-65.8-28.3-177.9-69.6-54.8107.200112.8R70 L73 L74 L110 G112 L117R70-M114 HydrophobicContact CB-SD 3.98Å; R70-M114 HydrophobicContact CG-CB 4.39Å; R70-M114 WeakPolarHBondContact CG-O 3.4Å; R70-M114 HydrophobicContact CG-SD 4.19Å; R70-M114 PolarHBondContact NE-O 3.38Å; L73-M114 HydrophobicContact CB-CG 3.91Å; L73-M114 HydrophobicContact CD1-CG 4.26Å; L73-M114 HydrophobicContact CD1-SD 4.14Å; L74-M114 HydrophobicContact CD2-CB 4.13Å; L74-M114 WeakPolarHBondContact CD2-O 3.27Å; L74-M114 HydrophobicContact CG-CB 4.45Å; L110-M114 HydrophobicContact CD1-CE 3.73Å; L110-M114 HydrophobicContact CD1-CG 4.14Å; L110-M114 HydrophobicContact CD1-SD 4.43Å; L110-M114 HydrophobicContact CG-CG 4.33Å; L110-M114 WeakPolarHBondContact O-CB 3.41Å; L110-M114 WeakPolarHBondContact O-CG 3.47Å; L110-M114 PolarHBondContact O-N 3.3Å; G112-M114 PolarHBondContact O-N 2.79Å; M114-L117 HydrophobicContact CE-CD2 4.14Å; M114-L117 HydrophobicContact SD-CD2 4.23Å
115E97.8Very high96.6Very high39 Ų3916.6 Ų16.618%0.18210%0.1CC..Hα-helixtrans-63.2-42.1175.4-65.7-63.8134.100112.4R70 L74 K77 V84 V86 L111 G112 M113R70-E115 PolarHBondContact NH2-O 3.34Å; L74-E115 VanDerWaalsContact CD2-OE1 3.23Å; L74-E115 WeakPolarHBondContact CD2-OE1 3.46Å; K77-E115 VanDerWaalsContact CD-OE1 3.3Å; K77-E115 WeakPolarHBondContact CD-OE1 3.35Å; K77-E115 WeakPolarHBondContact CE-OE1 3.46Å; K77-E115 IonicContact NZ-OE1 3.37Å; K77-E115 PolarHBondContact NZ-OE1 3.34Å; K77-E115 IonicContact NZ-OE2 3.77Å; K77-E115 PolarHBondContact NZ-OE2 3.32Å; V84-E115 HydrophobicContact CB-CG 3.88Å; V84-E115 HydrophobicContact CG1-CB 4.34Å; V84-E115 HydrophobicContact CG1-CG 3.74Å; V84-E115 HydrophobicContact CG2-CG 4.26Å; V86-E115 HydrophobicContact CG2-CB 3.9Å; L111-E115 WeakPolarHBondContact O-CG 3.27Å; G112-E115 WeakPolarHBondContact O-CB 3.23Å; G112-E115 PolarHBondContact O-N 3.02Å; M113-E115 VanDerWaalsContact C-N 3.26Å; M113-E115 PolarHBondContact O-N 3.26Å
116V97.7Very high96.4Very high9 Ų920.2 Ų20.26%0.05512%0.115CC..Hα-helixtrans-113.213.3-171.8-56.70000113.5V86 F92 M113 P118 W174 I208 V231 V233V86-V116 HydrophobicContact CB-CG1 4.01Å; V86-V116 HydrophobicContact CG1-CG1 3.35Å; V86-V116 HydrophobicContact CG2-CG1 3.39Å; F92-V116 HydrophobicContact CE2-CB 4.42Å; F92-V116 HydrophobicContact CZ-CB 4.31Å; F92-V116 WeakPolarHBondContact CZ-O 3.47Å; M113-V116 CarbonylContact O-C 3.52Å; M113-V116 PolarHBondContact O-N 3.48Å; V116-P118 WeakPolarHBondContact O-CD 3.39Å; V116-P118 VanDerWaalsContact O-N 3.14Å; V116-W174 HydrophobicContact CG2-CH2 3.75Å; V116-W174 HydrophobicContact CG2-CZ3 4.11Å; V116-I208 HydrophobicContact CG2-CD1 3.95Å; V116-I208 HydrophobicContact CG2-CG2 4.25Å; V116-V231 HydrophobicContact CG1-CG1 3.84Å; V116-V231 HydrophobicContact CG2-CG1 3.9Å; V116-V233 HydrophobicContact CB-CG2 4.43Å; V116-V233 HydrophobicContact CG1-CG2 4.39Å
117L97.7Very high96.3Very high14 Ų1425.4 Ų25.47%0.07313%0.134CC..PPolyproline II helixtrans-60.9116.3-179.6-176.469.1000109.6M66 R70 M113 M114 C121 W174M66-L117 HydrophobicContact CB-CD2 4.35Å; M66-L117 HydrophobicContact CE-CD1 4.39Å; M66-L117 HydrophobicContact CE-CD2 3.61Å; R70-L117 HydrophobicContact CB-CD2 4.17Å; R70-L117 HydrophobicContact CG-CD2 4.48Å; M113-L117 HydrophobicContact CE-CD1 3.5Å; M113-L117 HydrophobicContact CG-CD1 4.42Å; M113-L117 WeakPolarHBondContact O-CA 3.2Å; M113-L117 WeakPolarHBondContact O-CB 3.38Å; M113-L117 PolarHBondContact O-N 2.93Å; M114-L117 HydrophobicContact CE-CD2 4.14Å; M114-L117 HydrophobicContact SD-CD2 4.23Å; L117-C121 HydrophobicContact CD1-CB 3.86Å; L117-C121 HydrophobicContact CG-CB 4.35Å; L117-W174 HydrophobicContact CD1-CE3 4.26Å
118P95.8Very high96.2Very high13 Ų1328.7 Ų28.78%0.08415%0.147CC..PPolyproline II helixtrans-64.3156.3178.5-21.933.9000112.5F92 Y98 V100 V116 R120 C121F92-P118 HydrophobicContact CD1-CG 4.07Å; F92-P118 HydrophobicContact CE1-CG 3.65Å; F92-P118 HydrophobicContact CZ-CG 3.97Å; Y98-P118 HydrophobicContact CE2-CB 4.37Å; Y98-P118 HydrophobicContact CE2-CG 3.97Å; Y98-P118 WeakPolarHBondContact OH-CB 3.3Å; Y98-P118 WeakPolarHBondContact OH-CG 3.32Å; V100-P118 HydrophobicContact CG2-CG 4.22Å; V116-P118 WeakPolarHBondContact O-CD 3.39Å; V116-P118 VanDerWaalsContact O-N 3.14Å; P118-R120 PolarHBondContact O-N 2.87Å; P118-C121 HydrophobicContact CB-CB 4.05Å; P118-C121 HydrophobicContact CG-CB 4.29Å; P118-C121 WeakPolarHBondContact O-CB 3.39Å; P118-C121 PolarHBondContact O-N 2.86Å
119G94Very high96Very high48 Ų4832.2 Ų32.250%0.49517%0.166SC..THydrogen-bonded Turntrans-54.9139168.100000110.6C121 R172G119-C121 VanDerWaalsContact C-N 3.28Å; G119-C121 PolarHBondContact O-N 3.32Å; G119-R172 VanDerWaalsContact O-CD 3.22Å; G119-R172 WeakPolarHBondContact O-CD 3.33Å
120R95.7Very high95.8Very high68 Ų6834.4 Ų34.426%0.25718%0.177SC..THydrogen-bonded Turntrans54.537.3-179.3-58.3-177.962.481.2-5.5114.6V63 E64 P118 Q169 D170 V171 R172V63-R120 VanDerWaalsContact CG2-C 3.49Å; V63-R120 HydrophobicContact CG2-CB 4.19Å; E64-R120 VanDerWaalsContact OE1-CG 3.32Å; E64-R120 WeakPolarHBondContact OE1-CG 3.37Å; E64-R120 IonicContact OE1-CZ 3.28Å; E64-R120 IonicContact OE1-NH1 2.85Å; E64-R120 PolarHBondContact OE1-NH1 2.95Å; P118-R120 PolarHBondContact O-N 2.87Å; R120-Q169 PolarHBondContact NH2-O 3.33Å; R120-D170 PolarHBondContact NE-O 3.41Å; R120-V171 CarbonylContact O-C 3.58Å; R120-V171 WeakPolarHBondContact O-CA 3.28Å; R120-R172 PolarHBondContact O-N 3.45Å
121C97.4Very high95.7Very high1 Ų142 Ų421%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-103130.4179.2-173.10000113M66 L117 P118 G119 R172M66-C121 WeakPolarHBondContact CG-O 3.31Å; L117-C121 HydrophobicContact CD1-CB 3.86Å; L117-C121 HydrophobicContact CG-CB 4.35Å; P118-C121 HydrophobicContact CB-CB 4.05Å; P118-C121 HydrophobicContact CG-CB 4.29Å; P118-C121 WeakPolarHBondContact O-CB 3.39Å; P118-C121 PolarHBondContact O-N 2.86Å; G119-C121 VanDerWaalsContact C-N 3.28Å; G119-C121 PolarHBondContact O-N 3.32Å; C121-R172 CarbonylContact C-O 3.48Å; C121-R172 VanDerWaalsContact CA-O 3.23Å; C121-R172 WeakPolarHBondContact CA-O 3.48Å; C121-R172 HydrophobicContact CB-CB 4.03Å
122V96.7Very high95.5Very high8 Ų843.5 Ų43.55%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-117.3130.6174.3-68.40000111.9V63 M66 I145 R172 V173 W174V63-V122 HydrophobicContact CB-CG1 4.11Å; V63-V122 HydrophobicContact CG2-CG1 3.63Å; M66-V122 HydrophobicContact CG-CG1 4.28Å; V122-I145 HydrophobicContact CG2-CD1 3.76Å; V122-I145 HydrophobicContact CG2-CG1 4.34Å; V122-R172 PolarHBondContact N-O 3Å; V122-V173 HydrophobicContact CG2-CG2 4.22Å; V122-V173 WeakPolarHBondContact O-CA 3.11Å; V122-W174 PolarHBondContact O-N 3.25Å
123P97Very high95.4Very high20 Ų2045.8 Ų45.813%0.1324%0.24CC..EExtended strand (participates in β ladder)trans-75.4154.3172.122.7-27.3000113.8M66 M113 V144 I145 W174M66-P123 HydrophobicContact CE-CG 4.45Å; M113-P123 HydrophobicContact CE-CB 3.86Å; M113-P123 HydrophobicContact CE-CG 3.77Å; P123-V144 HydrophobicContact CG-CG1 4.27Å; P123-V144 HydrophobicContact CG-CG2 3.96Å; P123-V144 WeakPolarHBondContact O-CG1 3.2Å; P123-I145 PolarHBondContact O-N 2.83Å; P123-W174 CarbonylContact C-O 3.55Å; P123-W174 VanDerWaalsContact CA-O 3.28Å; P123-W174 WeakPolarHBondContact CA-O 3.5Å; P123-W174 HydrophobicContact CB-CB 4.22Å
124I94.8Very high95.3Very high4 Ų446.6 Ų46.62%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-92.8115.4163.7-58.1-172.7000109.7I145 I147 M159 V173 W174 V175 L197I124-I145 CarbonylContact C-O 3.59Å; I124-I145 WeakPolarHBondContact CA-O 3.14Å; I124-I145 HydrophobicContact CG1-CB 4.15Å; I124-I145 HydrophobicContact CG1-CD1 4.18Å; I124-I145 HydrophobicContact CG1-CG2 4.34Å; I124-I147 HydrophobicContact CG2-CB 4.37Å; I124-I147 HydrophobicContact CG2-CD1 3.61Å; I124-I147 HydrophobicContact CG2-CG1 3.65Å; I124-I147 HydrophobicContact CG2-CG2 3.85Å; I124-M159 HydrophobicContact CD1-CE 3.54Å; I124-M159 HydrophobicContact CD1-SD 3.64Å; I124-M159 HydrophobicContact CG2-CE 4.37Å; I124-V173 HydrophobicContact CD1-CG1 3.68Å; I124-V173 HydrophobicContact CG1-CG1 3.62Å; I124-W174 PolarHBondContact N-O 3.3Å; I124-V175 HydrophobicContact CD1-CG2 3.83Å; I124-V175 HydrophobicContact CG1-CG2 4.16Å; I124-L197 HydrophobicContact CD1-CD2 4.4Å
125A93.8Very high95.3Very high15 Ų1547.3 Ų47.312%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-108.9162.5-178.400000112.4L129 V144 I145 F146 I147A125-L129 HydrophobicContact CB-CD1 3.93Å; A125-V144 HydrophobicContact CB-CG1 3.69Å; A125-I145 PolarHBondContact N-O 3.34Å; A125-F146 HydrophobicContact CB-CD1 4Å; A125-F146 HydrophobicContact CB-CE1 4.07Å; A125-I147 WeakPolarHBondContact O-CG1 3.4Å; A125-I147 PolarHBondContact O-N 2.87Å
126K92.4Very high95.3Very high84 Ų8445.5 Ų45.537%0.36525%0.245SC..EExtended strand (participates in β ladder)trans-69139170.3-68.4-173.3178.1-174.50110.1E128 L129K126-E128 WeakPolarHBondContact CB-OE2 3.35Å; K126-E128 PolarHBondContact O-N 2.82Å; K126-E128 VanDerWaalsContact O-N 3.13Å; K126-L129 HydrophobicContact CB-CD1 4.28Å; K126-L129 VanDerWaalsContact O-CB 3.3Å; K126-L129 WeakPolarHBondContact O-CB 3.5Å; K126-L129 PolarHBondContact O-N 3.46Å
127R92.4Very high95.3Very high110 Ų11048.7 Ų48.742%0.41526%0.262SS..G310 helixtrans-53.3-35179.5-173.6171.668.4142.2-1.8113.5L129 L130 I147 D148R127-L129 PolarHBondContact O-N 3.46Å; R127-L130 WeakPolarHBondContact O-CB 3.46Å; R127-L130 PolarHBondContact O-N 2.84Å; R127-L130 VanDerWaalsContact O-N 3.07Å; R127-I147 PolarHBondContact N-O 3.34Å; R127-D148 HydrophobicContact CB-CB 4.46Å; R127-D148 IonicContact CZ-OD2 3.23Å; R127-D148 VanDerWaalsContact CZ-OD2 3.23Å; R127-D148 IonicContact NE-OD2 3.35Å; R127-D148 PolarHBondContact NE-OD2 3.47Å; R127-D148 IonicContact NH2-OD2 2.67Å; R127-D148 PolarHBondContact NH2-OD2 3.45Å
128E93.3Very high95.3Very high94 Ų9448.1 Ų48.144%0.43926%0.259SS..G310 helixtrans-62.5-24.3178-60.183.1175.600113.2K126 L130 W131K126-E128 WeakPolarHBondContact CB-OE2 3.35Å; K126-E128 PolarHBondContact O-N 2.82Å; K126-E128 VanDerWaalsContact O-N 3.13Å; E128-L130 PolarHBondContact O-N 2.82Å; E128-W131 PolarHBondContact O-N 2.78Å; E128-W131 VanDerWaalsContact O-N 3.16Å
129L92.1Very high95.4Very high77 Ų7749.5 Ų49.540%0.40327%0.269SS..G310 helixtrans-68.9-21175.9-75.9161.6000112.9A125 K126 R127 W131 A132 G136 F146A125-L129 HydrophobicContact CB-CD1 3.93Å; K126-L129 HydrophobicContact CB-CD1 4.28Å; K126-L129 VanDerWaalsContact O-CB 3.3Å; K126-L129 WeakPolarHBondContact O-CB 3.5Å; K126-L129 PolarHBondContact O-N 3.46Å; R127-L129 PolarHBondContact O-N 3.46Å; L129-W131 PolarHBondContact O-N 3.34Å; L129-A132 HydrophobicContact CD2-CB 4.47Å; L129-A132 VanDerWaalsContact O-CB 3.28Å; L129-A132 WeakPolarHBondContact O-CB 3.38Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-A132 VanDerWaalsContact O-N 3.13Å; L129-G136 WeakPolarHBondContact O-CA 3.34Å; L129-F146 HydrophobicContact CB-CE1 4.05Å
130L94.3Very high95.7Very high49 Ų4951.9 Ų51.926%0.25726%0.263SS..G310 helixtrans-58.9-31.2172.4-176.862.8000111.1R127 E128 G136 W140 F146R127-L130 WeakPolarHBondContact O-CB 3.46Å; R127-L130 PolarHBondContact O-N 2.84Å; R127-L130 VanDerWaalsContact O-N 3.07Å; E128-L130 PolarHBondContact O-N 2.82Å; L130-G136 WeakPolarHBondContact O-CA 3.14Å; L130-W140 HydrophobicContact CD1-CB 3.69Å; L130-W140 HydrophobicContact CD1-CG 4.01Å; L130-F146 HydrophobicContact CB-CD1 3.95Å; L130-F146 HydrophobicContact CB-CE1 3.95Å; L130-F146 HydrophobicContact CB-CG 4.28Å; L130-F146 HydrophobicContact CB-CZ 4.29Å; L130-F146 HydrophobicContact CD1-CD2 4.2Å; L130-F146 HydrophobicContact CD1-CE1 4.5Å; L130-F146 HydrophobicContact CD1-CE2 3.84Å; L130-F146 HydrophobicContact CD1-CZ 3.98Å
131W94.9Very high95.8Very high204 Ų20449.2 Ų49.277%0.77325%0.253SS*.G310 helixtrans-93.710.6-178.3-52.6108.9000113.3E128 L129 G133E128-W131 PolarHBondContact O-N 2.78Å; E128-W131 VanDerWaalsContact O-N 3.16Å; L129-W131 PolarHBondContact O-N 3.34Å; W131-G133 PolarHBondContact O-N 3.49Å
132A93.7Very high95.8Very high42 Ų4249.1 Ų49.135%0.34725%0.253SS..SBendtrans-78.939.6177.700000112.9L46 L129L46-A132 WeakPolarHBondContact CD2-O 3.46Å; L129-A132 HydrophobicContact CD2-CB 4.47Å; L129-A132 VanDerWaalsContact O-CB 3.28Å; L129-A132 WeakPolarHBondContact O-CB 3.38Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-A132 VanDerWaalsContact O-N 3.13Å
133G94.7Very high95.8Very high49 Ų4949.4 Ų49.451%0.50526%0.257SS..THydrogen-bonded Turntrans62.7-137.5-179.100000113.4W131 A135 G136 L137W131-G133 PolarHBondContact O-N 3.49Å; G133-A135 VanDerWaalsContact C-N 3.28Å; G133-A135 PolarHBondContact O-N 2.68Å; G133-G136 PolarHBondContact O-N 3.31Å; G133-G136 VanDerWaalsContact O-N 3.11Å; G133-L137 PolarHBondContact O-N 3.36Å
134S97.6Very high95.8Very high24 Ų2448.7 Ų48.717%0.16825%0.252CS..Hα-helixtrans-58.2-37.7-178.154.40000112.9L46 G136 L137 A138L46-S134 WeakPolarHBondContact CA-OG 3.17Å; L46-S134 PolarHBondContact O-OG 3.49Å; S134-G136 VanDerWaalsContact C-N 3.31Å; S134-G136 PolarHBondContact O-N 2.94Å; S134-L137 PolarHBondContact O-N 3.43Å; S134-A138 WeakPolarHBondContact O-CB 3.37Å; S134-A138 PolarHBondContact O-N 3.37Å
135A97.4Very high95.8Very high21 Ų2149.5 Ų49.517%0.17426%0.256CS..Hα-helixtrans-62.7-38.9177.900000112I45 L46 A49 G133 C139I45-A135 HydrophobicContact CG2-CB 4.33Å; L46-A135 HydrophobicContact CD2-CB 3.88Å; A49-A135 HydrophobicContact CB-CB 4.35Å; G133-A135 VanDerWaalsContact C-N 3.28Å; G133-A135 PolarHBondContact O-N 2.68Å; A135-C139 WeakPolarHBondContact O-CB 3.47Å; A135-C139 PolarHBondContact O-N 2.76Å; A135-C139 PolarHBondContact O-SG 3.43Å
136G97.7Very high95.7Very high1 Ų150.3 Ų50.31%0.0126%0.257CS..Hα-helixtrans-64-47.7176.500000112.4L129 L130 G133 S134 C139 W140L129-G136 WeakPolarHBondContact O-CA 3.34Å; L130-G136 WeakPolarHBondContact O-CA 3.14Å; G133-G136 PolarHBondContact O-N 3.31Å; G133-G136 VanDerWaalsContact O-N 3.11Å; S134-G136 VanDerWaalsContact C-N 3.31Å; S134-G136 PolarHBondContact O-N 2.94Å; G136-C139 PolarHBondContact O-N 3.02Å; G136-W140 PolarHBondContact O-N 2.94Å
137L98.1Very high95.7Very high77 Ų7746.9 Ų46.940%0.40324%0.243SC..Hα-helixtrans-64-43.6177179.456.8000112.3I53 G133 S134 C139 W140 L141I53-L137 HydrophobicContact CD1-CB 4.27Å; I53-L137 HydrophobicContact CD1-CD2 4.04Å; I53-L137 HydrophobicContact CD1-CG 4.25Å; I53-L137 HydrophobicContact CG1-CD2 4.38Å; I53-L137 HydrophobicContact CG1-CG 4.31Å; I53-L137 HydrophobicContact CG2-CD2 4.22Å; G133-L137 PolarHBondContact O-N 3.36Å; S134-L137 PolarHBondContact O-N 3.43Å; L137-C139 VanDerWaalsContact C-N 3.33Å; L137-C139 PolarHBondContact O-N 3.29Å; L137-W140 HydrophobicContact CD1-CE3 3.99Å; L137-W140 PolarHBondContact O-N 2.86Å; L137-L141 HydrophobicContact CD1-CD1 4.44Å; L137-L141 HydrophobicContact CD1-CG 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.29Å; L137-L141 WeakPolarHBondContact O-CG 3.27Å; L137-L141 PolarHBondContact O-N 3.22Å
138A98.4Very high95.4Very high2 Ų242.2 Ų42.22%0.01723%0.226CC..Hα-helixtrans-61-42.6176.300000111.7A49 I53 L69 S134 L141 A142A49-A138 HydrophobicContact CB-CB 3.87Å; I53-A138 HydrophobicContact CG1-CB 4.13Å; L69-A138 HydrophobicContact CD2-CB 4.19Å; S134-A138 WeakPolarHBondContact O-CB 3.37Å; S134-A138 PolarHBondContact O-N 3.37Å; A138-L141 PolarHBondContact O-N 2.79Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 2.8Å
139C98.2Very high94.8Very high42 Ų4241.3 Ų41.328%0.28422%0.219SC..Hα-helixtrans-61.9-43.5173.8-73.20000111.7A135 G136 L137 A142 G143 V144 F146A135-C139 WeakPolarHBondContact O-CB 3.47Å; A135-C139 PolarHBondContact O-N 2.76Å; A135-C139 PolarHBondContact O-SG 3.43Å; G136-C139 PolarHBondContact O-N 3.02Å; L137-C139 VanDerWaalsContact C-N 3.33Å; L137-C139 PolarHBondContact O-N 3.29Å; C139-A142 CarbonylContact O-C 3.52Å; C139-A142 WeakPolarHBondContact O-CA 3.47Å; C139-A142 PolarHBondContact O-N 2.96Å; C139-A142 VanDerWaalsContact O-N 3.09Å; C139-G143 PolarHBondContact O-N 2.85Å; C139-V144 HydrophobicContact CB-CB 3.93Å; C139-V144 HydrophobicContact CB-CG1 4.31Å; C139-V144 HydrophobicContact CB-CG2 3.7Å; C139-V144 VanDerWaalsContact O-CB 3.23Å; C139-V144 WeakPolarHBondContact O-CB 3.38Å; C139-V144 VanDerWaalsContact O-CG2 3.22Å; C139-V144 WeakPolarHBondContact O-CG2 3.35Å; C139-V144 PolarHBondContact O-N 2.88Å; C139-F146 HydrophobicContact CB-CZ 3.78Å
140W98.2Very high94.2Very high98 Ų9846.1 Ų46.137%0.37124%0.236SC..Hα-helixtrans-61.3-45.7176.1179.686.6000112.5R61 L130 G136 L137 A142 G143 F146R61-W140 WeakPolarHBondContact CG-O 3.1Å; L130-W140 HydrophobicContact CD1-CB 3.69Å; L130-W140 HydrophobicContact CD1-CG 4.01Å; G136-W140 PolarHBondContact O-N 2.94Å; L137-W140 HydrophobicContact CD1-CE3 3.99Å; L137-W140 PolarHBondContact O-N 2.86Å; W140-A142 PolarHBondContact O-N 3.21Å; W140-G143 PolarHBondContact O-N 3.37Å; W140-F146 HydrophobicContact CB-CE2 3.98Å
141L98.3Very high93.5Very high11 Ų1150.5 Ų50.56%0.05825%0.249CC..Hα-helixtrans-62-27.1173.2-72.3171.2000112.5I53 C56 A57 G60 R61 N62 N65 L137 A138 G143I53-L141 HydrophobicContact CB-CD1 4.46Å; I53-L141 HydrophobicContact CG1-CD1 4.33Å; I53-L141 HydrophobicContact CG2-CD1 4.12Å; C56-L141 HydrophobicContact CB-CB 3.92Å; C56-L141 HydrophobicContact CB-CD1 4.05Å; A57-L141 HydrophobicContact CB-CD1 4.36Å; G60-L141 VanDerWaalsContact O-O 3.06Å; R61-L141 WeakPolarHBondContact CA-O 3.42Å; N62-L141 PolarHBondContact N-O 2.82Å; N65-L141 PolarHBondContact ND2-O 3.38Å; L137-L141 HydrophobicContact CD1-CD1 4.44Å; L137-L141 HydrophobicContact CD1-CG 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.29Å; L137-L141 WeakPolarHBondContact O-CG 3.27Å; L137-L141 PolarHBondContact O-N 3.22Å; A138-L141 PolarHBondContact O-N 2.79Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.31Å
142A97.9Very high92.4Very high0 Ų045.5 Ų45.50%024%0.242CC..THydrogen-bonded Turntrans-83.33.8175.200000114.8N62 N65 M66 L69 A138 C139 W140 V144N62-A142 CarbonylContact O-C 3.58Å; N65-A142 HydrophobicContact CB-CB 4.09Å; M66-A142 HydrophobicContact CG-CB 3.96Å; M66-A142 WeakPolarHBondContact CG-O 3.49Å; M66-A142 HydrophobicContact SD-CB 3.56Å; M66-A142 VanDerWaalsContact SD-CB 3.56Å; L69-A142 HydrophobicContact CD1-CB 3.51Å; L69-A142 HydrophobicContact CG-CB 4.21Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 2.8Å; C139-A142 CarbonylContact O-C 3.52Å; C139-A142 WeakPolarHBondContact O-CA 3.47Å; C139-A142 PolarHBondContact O-N 2.96Å; C139-A142 VanDerWaalsContact O-N 3.09Å; W140-A142 PolarHBondContact O-N 3.21Å; A142-V144 VanDerWaalsContact C-N 3.3Å; A142-V144 PolarHBondContact O-N 3.28Å
143G96.1Very high91.5Very high13 Ų1346 Ų4613%0.13425%0.25CS..THydrogen-bonded Turntrans78.910.7178.300000114.1C139 W140 L141 I145C139-G143 PolarHBondContact O-N 2.85Å; W140-G143 PolarHBondContact O-N 3.37Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.31Å; G143-I145 PolarHBondContact O-N 2.98Å
144V97Very high90.6Very high5 Ų547 Ų473%0.0324%0.244CC..  trans-52.8134.6173.5175.50000109.6M66 P123 A125 C139 A142 F146M66-V144 HydrophobicContact SD-CG2 4.11Å; P123-V144 HydrophobicContact CG-CG1 4.27Å; P123-V144 HydrophobicContact CG-CG2 3.96Å; P123-V144 WeakPolarHBondContact O-CG1 3.2Å; A125-V144 HydrophobicContact CB-CG1 3.69Å; C139-V144 HydrophobicContact CB-CB 3.93Å; C139-V144 HydrophobicContact CB-CG1 4.31Å; C139-V144 HydrophobicContact CB-CG2 3.7Å; C139-V144 VanDerWaalsContact O-CB 3.23Å; C139-V144 WeakPolarHBondContact O-CB 3.38Å; C139-V144 VanDerWaalsContact O-CG2 3.22Å; C139-V144 WeakPolarHBondContact O-CG2 3.35Å; C139-V144 PolarHBondContact O-N 2.88Å; A142-V144 VanDerWaalsContact C-N 3.3Å; A142-V144 PolarHBondContact O-N 3.28Å; V144-F146 HydrophobicContact CB-CE2 4.06Å; V144-F146 HydrophobicContact CB-CZ 4.2Å; V144-F146 HydrophobicContact CG1-CE1 4.28Å; V144-F146 HydrophobicContact CG1-CE2 4.11Å; V144-F146 HydrophobicContact CG1-CZ 3.97Å; V144-F146 VanDerWaalsContact O-CD2 3.28Å; V144-F146 WeakPolarHBondContact O-CD2 3.28Å; V144-F146 WeakPolarHBondContact O-CE2 3.31Å
145I94.7Very high89.6Confident21 Ų2146.8 Ų46.811%0.10824%0.244CC..EExtended strand (participates in β ladder)trans-90.9124.7-177.7-61.7152.3000108V122 P123 I124 A125 G143 I147 V158 V162 V173V122-I145 HydrophobicContact CG2-CD1 3.76Å; V122-I145 HydrophobicContact CG2-CG1 4.34Å; P123-I145 PolarHBondContact O-N 2.83Å; I124-I145 CarbonylContact C-O 3.59Å; I124-I145 WeakPolarHBondContact CA-O 3.14Å; I124-I145 HydrophobicContact CG1-CB 4.15Å; I124-I145 HydrophobicContact CG1-CD1 4.18Å; I124-I145 HydrophobicContact CG1-CG2 4.34Å; A125-I145 PolarHBondContact N-O 3.34Å; G143-I145 PolarHBondContact O-N 2.98Å; I145-I147 HydrophobicContact CG2-CG2 4.35Å; I145-V158 HydrophobicContact CG2-CG1 3.79Å; I145-V162 HydrophobicContact CD1-CB 4.45Å; I145-V162 HydrophobicContact CD1-CG1 3.82Å; I145-V162 HydrophobicContact CD1-CG2 3.66Å; I145-V162 HydrophobicContact CG1-CG2 4.21Å; I145-V162 HydrophobicContact CG2-CG2 3.91Å; I145-V173 HydrophobicContact CD1-CG2 4.15Å
146F93.5Very high88.8Confident32 Ų3251.2 Ų51.214%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-107121.3-177.9-67.9-84.4000110.6A125 L129 L130 C139 W140 V144A125-F146 HydrophobicContact CB-CD1 4Å; A125-F146 HydrophobicContact CB-CE1 4.07Å; L129-F146 HydrophobicContact CB-CE1 4.05Å; L130-F146 HydrophobicContact CB-CD1 3.95Å; L130-F146 HydrophobicContact CB-CE1 3.95Å; L130-F146 HydrophobicContact CB-CG 4.28Å; L130-F146 HydrophobicContact CB-CZ 4.29Å; L130-F146 HydrophobicContact CD1-CD2 4.2Å; L130-F146 HydrophobicContact CD1-CE1 4.5Å; L130-F146 HydrophobicContact CD1-CE2 3.84Å; L130-F146 HydrophobicContact CD1-CZ 3.98Å; C139-F146 HydrophobicContact CB-CZ 3.78Å; W140-F146 HydrophobicContact CB-CE2 3.98Å; V144-F146 HydrophobicContact CB-CE2 4.06Å; V144-F146 HydrophobicContact CB-CZ 4.2Å; V144-F146 HydrophobicContact CG1-CE1 4.28Å; V144-F146 HydrophobicContact CG1-CE2 4.11Å; V144-F146 HydrophobicContact CG1-CZ 3.97Å; V144-F146 VanDerWaalsContact O-CD2 3.28Å; V144-F146 WeakPolarHBondContact O-CD2 3.28Å; V144-F146 WeakPolarHBondContact O-CE2 3.31Å
147I90.5Very high88.1Confident12 Ų1254.5 Ų54.56%0.06229%0.286CS..EExtended strand (participates in β ladder)trans-115.4140.1179.560.5167000112.1I124 A125 R127 I145 R149 V158 M159I124-I147 HydrophobicContact CG2-CB 4.37Å; I124-I147 HydrophobicContact CG2-CD1 3.61Å; I124-I147 HydrophobicContact CG2-CG1 3.65Å; I124-I147 HydrophobicContact CG2-CG2 3.85Å; A125-I147 WeakPolarHBondContact O-CG1 3.4Å; A125-I147 PolarHBondContact O-N 2.87Å; R127-I147 PolarHBondContact N-O 3.34Å; I145-I147 HydrophobicContact CG2-CG2 4.35Å; I147-R149 HydrophobicContact CD1-CG 3.87Å; I147-R149 HydrophobicContact CG1-CG 4.04Å; I147-R149 PolarHBondContact O-N 3.07Å; I147-V158 HydrophobicContact CG2-CB 4.17Å; I147-V158 HydrophobicContact CG2-CG1 3.67Å; I147-M159 HydrophobicContact CD1-CE 4.22Å
148D87.7Confident87.5Confident13 Ų1352.4 Ų52.47%0.0728%0.277CS..  trans-84.7105.9165.9-168.6-26.2000109.6R127 K150 R151R127-D148 HydrophobicContact CB-CB 4.46Å; R127-D148 IonicContact CZ-OD2 3.23Å; R127-D148 VanDerWaalsContact CZ-OD2 3.23Å; R127-D148 IonicContact NE-OD2 3.35Å; R127-D148 PolarHBondContact NE-OD2 3.47Å; R127-D148 IonicContact NH2-OD2 2.67Å; R127-D148 PolarHBondContact NH2-OD2 3.45Å; D148-K150 PolarHBondContact O-N 2.91Å; D148-K150 WeakPolarHBondContact OD1-CB 3.39Å; D148-K150 PolarHBondContact OD1-N 3.34Å; D148-R151 HydrophobicContact CB-CB 4.41Å; D148-R151 PolarHBondContact O-N 3.33Å
149R79.9Confident86.9Confident74 Ų7453.2 Ų53.228%0.27928%0.28SS..THydrogen-bonded Turntrans-75.3-12.4-177.8-61.7-176-175.2-179.4-0.5113.5I147 R151 G179I147-R149 HydrophobicContact CD1-CG 3.87Å; I147-R149 HydrophobicContact CG1-CG 4.04Å; I147-R149 PolarHBondContact O-N 3.07Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-G179 VanDerWaalsContact NH1-C 3.27Å; R149-G179 PolarHBondContact NH1-O 3.16Å
150K79Confident86.3Confident178 Ų17853.4 Ų53.477%0.77428%0.282SS*.THydrogen-bonded Turntrans-82.1-18.2175.7-61.8-179.6-179.4177.20111.7D148D148-K150 PolarHBondContact O-N 2.91Å; D148-K150 WeakPolarHBondContact OD1-CB 3.39Å; D148-K150 PolarHBondContact OD1-N 3.34Å
151R79.5Confident85.9Confident141 Ų14155.1 Ų55.153%0.53229%0.294SS..  trans-111.188.1179.9-64-176176.6-171.4-3.5109.7D148 R149 G153 D154 A155D148-R151 HydrophobicContact CB-CB 4.41Å; D148-R151 PolarHBondContact O-N 3.33Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R151-G153 VanDerWaalsContact C-N 3.27Å; R151-G153 PolarHBondContact O-N 3.06Å; R151-D154 HydrophobicContact CB-CB 3.94Å; R151-D154 WeakPolarHBondContact CB-OD2 3.43Å; R151-D154 WeakPolarHBondContact CD-OD2 3.34Å; R151-D154 IonicContact NH1-OD2 3.74Å; R151-D154 PolarHBondContact O-N 2.74Å; R151-D154 VanDerWaalsContact O-N 3.17Å; R151-A155 PolarHBondContact O-N 3.43Å
152T72.7Confident85.5Confident100 Ų10055 Ų5561%0.61329%0.294SS*.Hα-helixtrans-57.4-38.4-175.5-49.80000112.9A155 I156T152-A155 PolarHBondContact O-N 3.4Å; T152-I156 HydrophobicContact CG2-CD1 4.18Å; T152-I156 WeakPolarHBondContact O-CG1 3.36Å; T152-I156 PolarHBondContact O-N 2.86Å
153G74.7Confident85.1Confident51 Ų5155 Ų5553%0.52629%0.294SS..Hα-helixtrans-59.3-49.4175.800000112.4R151 A155 I156 S157R151-G153 VanDerWaalsContact C-N 3.27Å; R151-G153 PolarHBondContact O-N 3.06Å; G153-A155 VanDerWaalsContact C-N 3.27Å; G153-A155 PolarHBondContact O-N 3.31Å; G153-I156 PolarHBondContact O-N 2.77Å; G153-I156 VanDerWaalsContact O-N 3.14Å; G153-S157 PolarHBondContact O-N 3.04Å; G153-S157 PolarHBondContact O-OG 3.13Å
154D74.7Confident84.8Confident71 Ų7159.7 Ų59.738%0.3831%0.312SS..Hα-helixtrans-60.3-37.8175.6-60.9-3000111.5R151 S157 V158R151-D154 HydrophobicContact CB-CB 3.94Å; R151-D154 WeakPolarHBondContact CB-OD2 3.43Å; R151-D154 WeakPolarHBondContact CD-OD2 3.34Å; R151-D154 IonicContact NH1-OD2 3.74Å; R151-D154 PolarHBondContact O-N 2.74Å; R151-D154 VanDerWaalsContact O-N 3.17Å; D154-S157 PolarHBondContact O-OG 2.89Å; D154-V158 WeakPolarHBondContact O-CB 2.99Å; D154-V158 WeakPolarHBondContact O-CG2 3.2Å; D154-V158 PolarHBondContact O-N 3.18Å
155A77.7Confident84.4Confident19 Ų1962 Ų6216%0.15733%0.327CS..Hα-helixtrans-65.8-38177.100000112.2R151 T152 G153 M159R151-A155 PolarHBondContact O-N 3.43Å; T152-A155 PolarHBondContact O-N 3.4Å; G153-A155 VanDerWaalsContact C-N 3.27Å; G153-A155 PolarHBondContact O-N 3.31Å; A155-M159 WeakPolarHBondContact O-CG 3.38Å; A155-M159 PolarHBondContact O-N 3.18Å; A155-M159 VanDerWaalsContact O-N 3.08Å
156I79.5Confident84.1Confident115 Ų11561 Ų6159%0.5932%0.322SS*.Hα-helixtrans-69.1-46.1178.2-67.5165.7000110.7T152 G153 V158 M159 S160T152-I156 HydrophobicContact CG2-CD1 4.18Å; T152-I156 WeakPolarHBondContact O-CG1 3.36Å; T152-I156 PolarHBondContact O-N 2.86Å; G153-I156 PolarHBondContact O-N 2.77Å; G153-I156 VanDerWaalsContact O-N 3.14Å; I156-V158 PolarHBondContact O-N 3.14Å; I156-M159 PolarHBondContact O-N 3.07Å; I156-S160 PolarHBondContact O-N 2.99Å
157S83.4Confident84Confident70 Ų7063.7 Ų63.749%0.4934%0.337SS..Hα-helixtrans-62-43.7179.261.50000111.7G153 D154 M159 S160 E161G153-S157 PolarHBondContact O-N 3.04Å; G153-S157 PolarHBondContact O-OG 3.13Å; D154-S157 PolarHBondContact O-OG 2.89Å; S157-M159 VanDerWaalsContact C-N 3.35Å; S157-M159 PolarHBondContact O-N 2.71Å; S157-S160 WeakPolarHBondContact O-CB 3.17Å; S157-S160 PolarHBondContact O-N 3.4Å; S157-S160 VanDerWaalsContact O-N 3.16Å; S157-E161 PolarHBondContact O-N 3.45Å
158V85.1Confident84Confident33 Ų3367.6 Ų67.620%0.236%0.362CS..Hα-helixtrans-61.4-42.4174.8173.40000111.1I145 I147 D154 I156 S160 E161 V162I145-V158 HydrophobicContact CG2-CG1 3.79Å; I147-V158 HydrophobicContact CG2-CB 4.17Å; I147-V158 HydrophobicContact CG2-CG1 3.67Å; D154-V158 WeakPolarHBondContact O-CB 2.99Å; D154-V158 WeakPolarHBondContact O-CG2 3.2Å; D154-V158 PolarHBondContact O-N 3.18Å; I156-V158 PolarHBondContact O-N 3.14Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 2.98Å; V158-E161 PolarHBondContact O-N 3.11Å; V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CB 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.32Å; V158-V162 PolarHBondContact O-N 3.45Å
159M85.7Confident84.2Confident19 Ų1972.2 Ų72.29%0.09438%0.383CS..Hα-helixtrans-61.4-37.7176.6-69-71.8175.100111.9I124 I147 A155 I156 S157 V162 A163 L197I124-M159 HydrophobicContact CD1-CE 3.54Å; I124-M159 HydrophobicContact CD1-SD 3.64Å; I124-M159 HydrophobicContact CG2-CE 4.37Å; I147-M159 HydrophobicContact CD1-CE 4.22Å; A155-M159 WeakPolarHBondContact O-CG 3.38Å; A155-M159 PolarHBondContact O-N 3.18Å; A155-M159 VanDerWaalsContact O-N 3.08Å; I156-M159 PolarHBondContact O-N 3.07Å; S157-M159 VanDerWaalsContact C-N 3.35Å; S157-M159 PolarHBondContact O-N 2.71Å; M159-V162 PolarHBondContact O-N 2.76Å; M159-A163 PolarHBondContact O-N 3.13Å; M159-L197 WeakPolarHBondContact O-CD1 3.24Å; M159-L197 HydrophobicContact SD-CB 4.24Å; M159-L197 HydrophobicContact SD-CD2 4.06Å
160S86.2Confident84.8Confident46 Ų4671.8 Ų71.832%0.32239%0.386SS..Hα-helixtrans-65-41175.6-172.40000112.6I156 S157 V158 V162 A163 Q164 Q200I156-S160 PolarHBondContact O-N 2.99Å; S157-S160 WeakPolarHBondContact O-CB 3.17Å; S157-S160 PolarHBondContact O-N 3.4Å; S157-S160 VanDerWaalsContact O-N 3.16Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 2.98Å; S160-V162 VanDerWaalsContact C-N 3.35Å; S160-A163 WeakPolarHBondContact O-CB 3.47Å; S160-A163 PolarHBondContact O-N 2.88Å; S160-Q164 PolarHBondContact O-N 3.19Å; S160-Q200 PolarHBondContact OG-NE2 3.3Å
161E89.9Confident85.6Confident133 Ų13363.7 Ų63.762%0.62135%0.352SS*.Hα-helixtrans-65.5-39.8174.2-173.2-173.5163.500111.6S157 V158 A163 Q164 T165S157-E161 PolarHBondContact O-N 3.45Å; V158-E161 PolarHBondContact O-N 3.11Å; E161-A163 VanDerWaalsContact C-N 3.31Å; E161-A163 PolarHBondContact O-N 3.33Å; E161-Q164 PolarHBondContact O-N 2.89Å; E161-T165 PolarHBondContact O-N 3.41Å; E161-T165 PolarHBondContact O-OG1 3.06Å
162V90.2Very high86.4Confident8 Ų857.9 Ų57.95%0.04833%0.33CS..Hα-helixtrans-64.9-36.2176.4175.20000111.1I145 V158 M159 S160 Q164 T165 L166 V173 L197I145-V162 HydrophobicContact CD1-CB 4.45Å; I145-V162 HydrophobicContact CD1-CG1 3.82Å; I145-V162 HydrophobicContact CD1-CG2 3.66Å; I145-V162 HydrophobicContact CG1-CG2 4.21Å; I145-V162 HydrophobicContact CG2-CG2 3.91Å; V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CB 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.32Å; V158-V162 PolarHBondContact O-N 3.45Å; M159-V162 PolarHBondContact O-N 2.76Å; S160-V162 VanDerWaalsContact C-N 3.35Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.17Å; V162-T165 PolarHBondContact O-N 3.21Å; V162-L166 HydrophobicContact CG1-CG 4.49Å; V162-L166 WeakPolarHBondContact O-CG 3.39Å; V162-L166 PolarHBondContact O-N 3.49Å; V162-V173 HydrophobicContact CG1-CB 4.47Å; V162-V173 HydrophobicContact CG1-CG1 4.29Å; V162-V173 HydrophobicContact CG1-CG2 3.6Å; V162-L197 HydrophobicContact CB-CD1 4.21Å; V162-L197 HydrophobicContact CG1-CD1 3.98Å; V162-L197 HydrophobicContact CG1-CD2 3.87Å
163A90.1Very high87.6Confident1 Ų153.1 Ų53.11%0.00830%0.3CS..Hα-helixtrans-58.6-44.5174.500000111.7M159 S160 E161 L197 Q200 A201M159-A163 PolarHBondContact O-N 3.13Å; S160-A163 WeakPolarHBondContact O-CB 3.47Å; S160-A163 PolarHBondContact O-N 2.88Å; E161-A163 VanDerWaalsContact C-N 3.31Å; E161-A163 PolarHBondContact O-N 3.33Å; A163-L197 HydrophobicContact CB-CD1 3.7Å; A163-Q200 HydrophobicContact CB-CB 4.39Å; A163-Q200 HydrophobicContact CB-CG 4.05Å; A163-A201 HydrophobicContact CB-CB 4.08Å
164Q90.2Very high88.7Confident111 Ų11150.7 Ų50.752%0.51928%0.275SS..Hα-helixtrans-66.5-40.1175.3-64-59.4-33.700111.9S160 E161 V162 L167 T168S160-Q164 PolarHBondContact O-N 3.19Å; E161-Q164 PolarHBondContact O-N 2.89Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.17Å; Q164-L167 PolarHBondContact O-N 3.22Å; Q164-T168 WeakPolarHBondContact O-CB 3.33Å; Q164-T168 WeakPolarHBondContact O-CG2 3.39Å; Q164-T168 PolarHBondContact O-N 3Å; Q164-T168 PolarHBondContact O-OG1 3.27Å
165T88.3Confident89.8Confident54 Ų5447.8 Ų47.833%0.33126%0.26SS..Hα-helixtrans-65.8-40.9179.6-55.10000112.2E161 V162 L167 T168 Q169 V171E161-T165 PolarHBondContact O-N 3.41Å; E161-T165 PolarHBondContact O-OG1 3.06Å; V162-T165 PolarHBondContact O-N 3.21Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 PolarHBondContact O-N 2.99Å; T165-T168 PolarHBondContact O-N 3.06Å; T165-Q169 HydrophobicContact CG2-CB 4.26Å; T165-Q169 HydrophobicContact CG2-CG 3.97Å; T165-Q169 WeakPolarHBondContact O-CB 3.18Å; T165-Q169 PolarHBondContact O-N 3.25Å; T165-V171 HydrophobicContact CG2-CG2 4.08Å
166L88.2Confident90.7Very high0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-49.3-49.8175.6-83.7168.9000111.4P97 V99 V162 D170 V171 V173 L197 A201 V203P97-L166 HydrophobicContact CB-CB 4.4Å; P97-L166 HydrophobicContact CB-CD2 4.4Å; P97-L166 WeakPolarHBondContact CB-O 3.09Å; V99-L166 HydrophobicContact CG2-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.49Å; V162-L166 WeakPolarHBondContact O-CG 3.39Å; V162-L166 PolarHBondContact O-N 3.49Å; L166-D170 WeakPolarHBondContact O-CA 3.48Å; L166-D170 PolarHBondContact O-N 2.96Å; L166-V171 HydrophobicContact CD2-CG2 4.34Å; L166-V171 WeakPolarHBondContact CD2-O 3.39Å; L166-V171 PolarHBondContact O-N 3.14Å; L166-V173 HydrophobicContact CD1-CG2 4.34Å; L166-V173 HydrophobicContact CD2-CB 3.91Å; L166-V173 HydrophobicContact CD2-CG2 3.39Å; L166-V173 HydrophobicContact CG-CG2 3.83Å; L166-L197 HydrophobicContact CD1-CD1 3.71Å; L166-L197 HydrophobicContact CD1-CD2 4.22Å; L166-L197 HydrophobicContact CD1-CG 3.93Å; L166-A201 HydrophobicContact CD1-CB 4.2Å; L166-V203 HydrophobicContact CD1-CG2 4.32Å
167L90Very high91.5Very high89 Ų8942.7 Ų42.747%0.46623%0.231SC..Hα-helixtrans-75.3-51.1-176.9-61.2176.4000111.9P97 Q164 T165 Q169 V203P97-L167 HydrophobicContact CG-CD2 4.02Å; Q164-L167 PolarHBondContact O-N 3.22Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 PolarHBondContact O-N 2.99Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; L167-Q169 PolarHBondContact O-N 3.09Å; L167-V203 HydrophobicContact CD2-CG1 3.9Å
168T92Very high92.1Very high94 Ų9439.7 Ų39.758%0.57721%0.209SC*.Hα-helixtrans-72.1-25.8-172.155.30000113.8Q164 T165Q164-T168 WeakPolarHBondContact O-CB 3.33Å; Q164-T168 WeakPolarHBondContact O-CG2 3.39Å; Q164-T168 PolarHBondContact O-N 3Å; Q164-T168 PolarHBondContact O-OG1 3.27Å; T165-T168 PolarHBondContact O-N 3.06Å
169Q90.8Very high92.2Very high110 Ų11039.1 Ų39.151%0.51421%0.21SC..THydrogen-bonded Turntrans-111.34-176.2-59.9-65.1-57.400113.5R120 T165 L167 V171R120-Q169 PolarHBondContact NH2-O 3.33Å; T165-Q169 HydrophobicContact CG2-CB 4.26Å; T165-Q169 HydrophobicContact CG2-CG 3.97Å; T165-Q169 WeakPolarHBondContact O-CB 3.18Å; T165-Q169 PolarHBondContact O-N 3.25Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; L167-Q169 PolarHBondContact O-N 3.09Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 HydrophobicContact CB-CG1 3.95Å; Q169-V171 PolarHBondContact O-N 3.46Å
170D93.3Very high92.4Very high64 Ų6441.4 Ų41.434%0.34223%0.225SC..THydrogen-bonded Turntrans42.857.7-170.8-176.947.5000111.8R120 L166 R172R120-D170 PolarHBondContact NE-O 3.41Å; L166-D170 WeakPolarHBondContact O-CA 3.48Å; L166-D170 PolarHBondContact O-N 2.96Å; D170-R172 VanDerWaalsContact CG-NH1 3.3Å; D170-R172 PolarHBondContact O-NH1 3.45Å; D170-R172 IonicContact OD1-CZ 3.49Å; D170-R172 IonicContact OD1-NH1 3.66Å; D170-R172 PolarHBondContact OD1-NH1 3.35Å; D170-R172 IonicContact OD1-NH2 2.83Å; D170-R172 PolarHBondContact OD1-NH2 3.11Å; D170-R172 VanDerWaalsContact OD1-NH2 3.07Å; D170-R172 IonicContact OD2-CZ 2.65Å; D170-R172 IonicContact OD2-NH1 2.68Å; D170-R172 PolarHBondContact OD2-NH1 2.89Å; D170-R172 IonicContact OD2-NH2 2.76Å; D170-R172 PolarHBondContact OD2-NH2 3.37Å
171V95.3Very high92.7Very high9 Ų944.8 Ų44.86%0.05523%0.23CC..  trans-108.6155.4175.6-62.50000110.1V63 P97 R120 T165 L166 Q169V63-V171 HydrophobicContact CB-CG1 4.3Å; V63-V171 HydrophobicContact CG1-CG1 4.03Å; V63-V171 HydrophobicContact CG2-CG1 4.24Å; P97-V171 WeakPolarHBondContact CB-O 3.11Å; R120-V171 CarbonylContact O-C 3.58Å; R120-V171 WeakPolarHBondContact O-CA 3.28Å; T165-V171 HydrophobicContact CG2-CG2 4.08Å; L166-V171 HydrophobicContact CD2-CG2 4.34Å; L166-V171 WeakPolarHBondContact CD2-O 3.39Å; L166-V171 PolarHBondContact O-N 3.14Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 HydrophobicContact CB-CG1 3.95Å; Q169-V171 PolarHBondContact O-N 3.46Å
172R97.5Very high92.8Very high19 Ų1938.9 Ų38.97%0.07220%0.203CC..EExtended strand (participates in β ladder)trans-107.9148.5169.7-63.892-175.7145.43.2108.7Q96 Y98 G119 R120 C121 V122 D170Q96-R172 PolarHBondContact O-NE 2.99Å; Q96-R172 PolarHBondContact O-NH2 3.41Å; Q96-R172 VanDerWaalsContact O-NH2 3.15Å; Y98-R172 HydrophobicContact CD1-CG 3.81Å; Y98-R172 HydrophobicContact CD2-CB 4.28Å; Y98-R172 HydrophobicContact CD2-CG 3.96Å; Y98-R172 HydrophobicContact CE1-CG 3.65Å; Y98-R172 HydrophobicContact CE2-CB 4.18Å; Y98-R172 HydrophobicContact CE2-CG 3.8Å; Y98-R172 HydrophobicContact CG-CG 3.97Å; Y98-R172 WeakPolarHBondContact O-CA 3.47Å; G119-R172 VanDerWaalsContact O-CD 3.22Å; G119-R172 WeakPolarHBondContact O-CD 3.33Å; R120-R172 PolarHBondContact O-N 3.45Å; C121-R172 CarbonylContact C-O 3.48Å; C121-R172 VanDerWaalsContact CA-O 3.23Å; C121-R172 WeakPolarHBondContact CA-O 3.48Å; C121-R172 HydrophobicContact CB-CB 4.03Å; V122-R172 PolarHBondContact N-O 3Å; D170-R172 VanDerWaalsContact CG-NH1 3.3Å; D170-R172 PolarHBondContact O-NH1 3.45Å; D170-R172 IonicContact OD1-CZ 3.49Å; D170-R172 IonicContact OD1-NH1 3.66Å; D170-R172 PolarHBondContact OD1-NH1 3.35Å; D170-R172 IonicContact OD1-NH2 2.83Å; D170-R172 PolarHBondContact OD1-NH2 3.11Å; D170-R172 VanDerWaalsContact OD1-NH2 3.07Å; D170-R172 IonicContact OD2-CZ 2.65Å; D170-R172 IonicContact OD2-NH1 2.68Å; D170-R172 PolarHBondContact OD2-NH1 2.89Å; D170-R172 IonicContact OD2-NH2 2.76Å; D170-R172 PolarHBondContact OD2-NH2 3.37Å
173V97.7Very high92.7Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-119.2128.1-177.4171.80000109.9Y98 V99 V100 V122 I124 I145 V162 L166 V175 L197Y98-V173 PolarHBondContact O-N 3.38Å; Y98-V173 VanDerWaalsContact O-N 3.15Å; V99-V173 CarbonylContact C-O 3.48Å; V99-V173 WeakPolarHBondContact CA-O 3.45Å; V100-V173 PolarHBondContact N-O 2.83Å; V122-V173 HydrophobicContact CG2-CG2 4.22Å; V122-V173 WeakPolarHBondContact O-CA 3.11Å; I124-V173 HydrophobicContact CD1-CG1 3.68Å; I124-V173 HydrophobicContact CG1-CG1 3.62Å; I145-V173 HydrophobicContact CD1-CG2 4.15Å; V162-V173 HydrophobicContact CG1-CB 4.47Å; V162-V173 HydrophobicContact CG1-CG1 4.29Å; V162-V173 HydrophobicContact CG1-CG2 3.6Å; L166-V173 HydrophobicContact CD1-CG2 4.34Å; L166-V173 HydrophobicContact CD2-CB 3.91Å; L166-V173 HydrophobicContact CD2-CG2 3.39Å; L166-V173 HydrophobicContact CG-CG2 3.83Å; V173-V175 HydrophobicContact CG1-CG2 3.8Å; V173-L197 HydrophobicContact CB-CD2 4.34Å; V173-L197 HydrophobicContact CG1-CD2 3.94Å
174W98.2Very high92.4Very high0 Ų048.3 Ų48.30%025%0.251CS..EExtended strand (participates in β ladder)trans-99123.9176.6-169.1-58.9000110.9V100 S102 M113 V116 L117 V122 P123 I124 F176 I208 M210V100-W174 HydrophobicContact CB-CB 4.39Å; V100-W174 HydrophobicContact CB-CD2 4.06Å; V100-W174 HydrophobicContact CB-CE3 4.01Å; V100-W174 HydrophobicContact CB-CG 4.26Å; V100-W174 HydrophobicContact CG1-CD2 3.57Å; V100-W174 HydrophobicContact CG1-CE3 3.56Å; V100-W174 HydrophobicContact CG1-CG 4.17Å; V100-W174 HydrophobicContact CG1-CH2 4.09Å; V100-W174 HydrophobicContact CG1-CZ2 4.09Å; V100-W174 HydrophobicContact CG1-CZ3 3.83Å; V100-W174 HydrophobicContact CG2-CE3 4.29Å; S102-W174 WeakPolarHBondContact OG-CZ2 3.36Å; S102-W174 PolarHBondContact OG-NE1 2.91Å; M113-W174 HydrophobicContact CB-CH2 4.22Å; M113-W174 HydrophobicContact CB-CZ2 4.18Å; M113-W174 HydrophobicContact CE-CB 4.09Å; M113-W174 HydrophobicContact CE-CD2 3.9Å; M113-W174 HydrophobicContact CE-CE3 4.1Å; M113-W174 HydrophobicContact CE-CG 3.89Å; M113-W174 HydrophobicContact CG-CD2 4.01Å; M113-W174 HydrophobicContact CG-CE3 4Å; M113-W174 HydrophobicContact CG-CH2 3.85Å; M113-W174 HydrophobicContact CG-CZ2 3.87Å; M113-W174 HydrophobicContact CG-CZ3 3.91Å; M113-W174 HydrophobicContact SD-CD2 4.19Å; M113-W174 HydrophobicContact SD-CG 4.38Å; V116-W174 HydrophobicContact CG2-CH2 3.75Å; V116-W174 HydrophobicContact CG2-CZ3 4.11Å; L117-W174 HydrophobicContact CD1-CE3 4.26Å; V122-W174 PolarHBondContact O-N 3.25Å; P123-W174 CarbonylContact C-O 3.55Å; P123-W174 VanDerWaalsContact CA-O 3.28Å; P123-W174 WeakPolarHBondContact CA-O 3.5Å; P123-W174 HydrophobicContact CB-CB 4.22Å; I124-W174 PolarHBondContact N-O 3.3Å; W174-F176 AromaticContact CD1-CE2 3.83Å; W174-F176 AromaticContact NE1-CE1 3.77Å; W174-F176 AromaticContact NE1-CE2 3.79Å; W174-F176 AromaticContact NE1-CZ 3.5Å; W174-I208 HydrophobicContact CH2-CB 4.43Å; W174-I208 HydrophobicContact CH2-CD1 3.52Å; W174-I208 HydrophobicContact CH2-CG2 4.24Å; W174-I208 HydrophobicContact CZ2-CD1 4.32Å; W174-I208 HydrophobicContact CZ3-CD1 3.69Å; W174-M210 HydrophobicContact CH2-CE 4.19Å; W174-M210 HydrophobicContact CZ2-CE 3.76Å
175V97.2Very high92Very high10 Ų1044.2 Ų44.26%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-126.4139.9179.6-164.70000110.8V99 V100 V101 S102 I124 V173 P177 A194V99-V175 HydrophobicContact CG1-CG2 4.11Å; V100-V175 PolarHBondContact O-N 2.87Å; V101-V175 WeakPolarHBondContact CA-O 3.33Å; S102-V175 PolarHBondContact N-O 3.04Å; S102-V175 VanDerWaalsContact N-O 3.13Å; I124-V175 HydrophobicContact CD1-CG2 3.83Å; I124-V175 HydrophobicContact CG1-CG2 4.16Å; V173-V175 HydrophobicContact CG1-CG2 3.8Å; V175-P177 WeakPolarHBondContact O-CD 3.17Å; V175-A194 HydrophobicContact CB-CB 3.79Å; V175-A194 HydrophobicContact CG1-CB 3.79Å; V175-A194 HydrophobicContact CG2-CB 4.05Å
176F97Very high92.1Very high23 Ų2343.8 Ų43.810%0.10124%0.238CC..  trans-98.290.6168.2-68.1-79.2000108.7S102 N103 H104 D109 M113 W174 E178 G179S102-F176 WeakPolarHBondContact OG-CD1 3.35Å; S102-F176 WeakPolarHBondContact OG-CE1 3.38Å; N103-F176 WeakPolarHBondContact O-CD1 3.17Å; N103-F176 WeakPolarHBondContact O-CE1 3.47Å; H104-F176 HydrophobicContact CB-CB 3.9Å; H104-F176 HydrophobicContact CB-CD1 3.58Å; H104-F176 HydrophobicContact CB-CE1 4.43Å; H104-F176 HydrophobicContact CB-CG 4.01Å; H104-F176 AromaticContact CG-CD1 3.65Å; H104-F176 AromaticContact CG-CG 3.81Å; H104-F176 AromaticContact ND1-CD1 3.55Å; H104-F176 AromaticContact ND1-CE1 3.74Å; H104-F176 AromaticContact ND1-CG 3.85Å; D109-F176 HydrophobicContact CB-CE1 4.15Å; D109-F176 HydrophobicContact CB-CZ 4.26Å; M113-F176 HydrophobicContact SD-CZ 4.37Å; W174-F176 AromaticContact CD1-CE2 3.83Å; W174-F176 AromaticContact NE1-CE1 3.77Å; W174-F176 AromaticContact NE1-CE2 3.79Å; W174-F176 AromaticContact NE1-CZ 3.5Å; F176-E178 PolarHBondContact O-N 3.07Å; F176-G179 PolarHBondContact O-N 3.24Å
177P96.3Very high92.4Very high4 Ų444 Ų443%0.02624%0.239CC..THydrogen-bonded Turntrans-67.6-17.5-168.629.2-39.2000114V101 S102 V175 G179 F190 K191 F195V101-P177 HydrophobicContact CB-CG 4.07Å; V101-P177 HydrophobicContact CG1-CG 4.41Å; S102-P177 WeakPolarHBondContact O-CD 3.21Å; V175-P177 WeakPolarHBondContact O-CD 3.17Å; P177-G179 PolarHBondContact O-N 2.95Å; P177-G179 VanDerWaalsContact O-N 3.14Å; P177-F190 HydrophobicContact CB-CB 4.03Å; P177-F190 HydrophobicContact CB-CD1 4.06Å; P177-F190 HydrophobicContact CB-CD2 4.1Å; P177-F190 HydrophobicContact CB-CG 3.81Å; P177-F190 HydrophobicContact CG-CD1 3.74Å; P177-F190 HydrophobicContact CG-CD2 3.79Å; P177-F190 HydrophobicContact CG-CE1 3.71Å; P177-F190 HydrophobicContact CG-CE2 3.76Å; P177-F190 HydrophobicContact CG-CG 3.76Å; P177-F190 HydrophobicContact CG-CZ 3.7Å; P177-K191 WeakPolarHBondContact O-CB 3.35Å; P177-K191 PolarHBondContact O-N 2.92Å; P177-F195 HydrophobicContact CB-CE2 3.93Å
178E95.2Very high92.7Very high6 Ų642.1 Ų42.13%0.02823%0.229CC..THydrogen-bonded Turntrans-59.7-22.8173.7-66.9-174.9-112.700112.9N103 H104 F176 T180 N182 M187 L188 F190N103-E178 WeakPolarHBondContact CA-OE1 3.22Å; N103-E178 WeakPolarHBondContact CB-OE1 3.43Å; H104-E178 PolarHBondContact N-OE1 3.36Å; F176-E178 PolarHBondContact O-N 3.07Å; E178-T180 PolarHBondContact O-N 2.9Å; E178-T180 VanDerWaalsContact O-N 3.07Å; E178-N182 WeakPolarHBondContact OE2-CB 3.21Å; E178-M187 HydrophobicContact CG-CG 4.13Å; E178-M187 WeakPolarHBondContact OE1-CG 3.42Å; E178-L188 HydrophobicContact CB-CB 4.09Å; E178-L188 HydrophobicContact CB-CD1 4.42Å; E178-L188 HydrophobicContact CG-CB 4Å; E178-L188 VanDerWaalsContact OE2-CB 3.3Å; E178-L188 WeakPolarHBondContact OE2-CB 3.49Å; E178-L188 WeakPolarHBondContact OE2-CG 3.22Å; E178-L188 PolarHBondContact OE2-N 3.13Å; E178-F190 HydrophobicContact CG-CD1 3.93Å; E178-F190 HydrophobicContact CG-CE1 3.73Å
179G87.6Confident92.8Very high21 Ų2142.2 Ų42.222%0.21623%0.231CC..SBendtrans74.7-9.5177.600000114.9R149 F176 P177R149-G179 VanDerWaalsContact NH1-C 3.27Å; R149-G179 PolarHBondContact NH1-O 3.16Å; F176-G179 PolarHBondContact O-N 3.24Å; P177-G179 PolarHBondContact O-N 2.95Å; P177-G179 VanDerWaalsContact O-N 3.14Å
180T89.6Confident93.1Very high68 Ų6837.9 Ų37.942%0.41721%0.211SC..SBendtrans-152.7165.4172.3-170.80000110.5E178 L188E178-T180 PolarHBondContact O-N 2.9Å; E178-T180 VanDerWaalsContact O-N 3.07Å; T180-L188 HydrophobicContact CG2-CD1 3.41Å; T180-L188 VanDerWaalsContact CG2-CD1 3.41Å
181R92.4Very high93.1Very high116 Ų11641.7 Ų41.744%0.43822%0.224SC..  trans-74.2139.5174.3-67.6168-179.2154.11.5109.7H104H104-R181 WeakPolarHBondContact NE2-CG 3.19Å; H104-R181 CarbonylContact O-C 3.58Å; H104-R181 WeakPolarHBondContact O-CA 3.4Å
182N92.2Very high93Very high9 Ų947.5 Ų47.55%0.04825%0.245CC..  trans-122.1114.3178.3-175.613.5000111.4H104 Q105 E178 N184 S186 L188H104-N182 PolarHBondContact O-N 2.82Å; Q105-N182 WeakPolarHBondContact CA-O 3.5Å; E178-N182 WeakPolarHBondContact OE2-CB 3.21Å; N182-N184 WeakPolarHBondContact OD1-CB 3.23Å; N182-N184 PolarHBondContact OD1-N 2.81Å; N182-N184 VanDerWaalsContact OD1-N 3.08Å; N182-S186 VanDerWaalsContact ND2-C 3.33Å; N182-S186 PolarHBondContact ND2-O 2.83Å; N182-L188 HydrophobicContact CB-CD1 3.94Å; N182-L188 HydrophobicContact CB-CG 3.87Å
183H87.1Confident92.7Very high74 Ų7448 Ų4834%0.34326%0.256SS..  trans-94.60.5-179.9-60-61.1000113.5Q105 G185Q105-H183 PolarHBondContact O-CE1 2.84Å; Q105-H183 PolarHBondContact O-ND1 3.39Å; H183-G185 VanDerWaalsContact C-N 3.29Å; H183-G185 PolarHBondContact O-N 3.03Å
184N84.7Confident92.5Very high133 Ų13348 Ų4871%0.71126%0.257SS*.SBendtrans-86.810.7-166.5-61.9-11.2000114.2N182 S186N182-N184 WeakPolarHBondContact OD1-CB 3.23Å; N182-N184 PolarHBondContact OD1-N 2.81Å; N182-N184 VanDerWaalsContact OD1-N 3.08Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 2.78Å
185G81.7Confident92.5Very high26 Ų2648 Ų4827%0.26826%0.257SS..SBendtrans67.631.5178.400000113.7H183 Q214 F262H183-G185 VanDerWaalsContact C-N 3.29Å; H183-G185 PolarHBondContact O-N 3.03Å; G185-Q214 VanDerWaalsContact N-NE2 3.15Å; G185-F262 WeakPolarHBondContact O-CE1 3.44Å
186S91.2Very high92.4Very high44 Ų4451.1 Ų51.131%0.30827%0.27SS..SBendtrans-149.1-167.4175.1-172.70000108.5N182 N184N182-S186 VanDerWaalsContact ND2-C 3.33Å; N182-S186 PolarHBondContact ND2-O 2.83Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 2.78Å
187M94.2Very high92.3Very high5 Ų550 Ų503%0.02527%0.265CS..  trans-123.6130.4179.8-154.3173.9-61.400110.5N103 E178 F190 R255 M258 L259 F262N103-M187 HydrophobicContact CB-CE 3.54Å; N103-M187 HydrophobicContact CB-CG 4.16Å; N103-M187 HydrophobicContact CB-SD 4.04Å; E178-M187 HydrophobicContact CG-CG 4.13Å; E178-M187 WeakPolarHBondContact OE1-CG 3.42Å; M187-F190 HydrophobicContact CG-CE1 3.72Å; M187-F190 HydrophobicContact CG-CZ 4.26Å; M187-F190 HydrophobicContact SD-CE1 3.46Å; M187-F190 WeakPolarHBondContact SD-CE1 3.49Å; M187-F190 HydrophobicContact SD-CZ 3.35Å; M187-F190 WeakPolarHBondContact SD-CZ 3.38Å; M187-R255 PolarHBondContact O-NH2 2.87Å; M187-M258 HydrophobicContact CE-CB 3.89Å; M187-M258 HydrophobicContact CE-CE 4.46Å; M187-M258 HydrophobicContact SD-CB 3.97Å; M187-M258 HydrophobicContact SD-CE 4.25Å; M187-L259 HydrophobicContact CB-CD1 4.02Å; M187-F262 HydrophobicContact CE-CB 3.97Å; M187-F262 HydrophobicContact CE-CD2 4.44Å; M187-F262 HydrophobicContact CE-CG 4.3Å
188L95.5Very high92.4Very high50 Ų5049.9 Ų49.926%0.26226%0.264SS..PPolyproline II helixtrans-69163.8176.3-63.7174.5000111.4E178 T180 N182 R255E178-L188 HydrophobicContact CB-CB 4.09Å; E178-L188 HydrophobicContact CB-CD1 4.42Å; E178-L188 HydrophobicContact CG-CB 4Å; E178-L188 VanDerWaalsContact OE2-CB 3.3Å; E178-L188 WeakPolarHBondContact OE2-CB 3.49Å; E178-L188 WeakPolarHBondContact OE2-CG 3.22Å; E178-L188 PolarHBondContact OE2-N 3.13Å; T180-L188 HydrophobicContact CG2-CD1 3.41Å; T180-L188 VanDerWaalsContact CG2-CD1 3.41Å; N182-L188 HydrophobicContact CB-CD1 3.94Å; N182-L188 HydrophobicContact CB-CG 3.87Å; L188-R255 WeakPolarHBondContact O-CD 3.49Å; L188-R255 PolarHBondContact O-NE 3.26Å
189P95.3Very high92.5Very high95 Ų9549.8 Ų49.862%0.61726%0.264SS*.PPolyproline II helixtrans-55.4141.7166.3-24.335.1000111.4
190F96.6Very high92.8Very high20 Ų2053.3 Ų53.39%0.08828%0.275CS..PPolyproline II helixtrans-83.7134.4-179.5-75.2-1.8000111.4P177 E178 M187 F195 V254 R255 M258P177-F190 HydrophobicContact CB-CB 4.03Å; P177-F190 HydrophobicContact CB-CD1 4.06Å; P177-F190 HydrophobicContact CB-CD2 4.1Å; P177-F190 HydrophobicContact CB-CG 3.81Å; P177-F190 HydrophobicContact CG-CD1 3.74Å; P177-F190 HydrophobicContact CG-CD2 3.79Å; P177-F190 HydrophobicContact CG-CE1 3.71Å; P177-F190 HydrophobicContact CG-CE2 3.76Å; P177-F190 HydrophobicContact CG-CG 3.76Å; P177-F190 HydrophobicContact CG-CZ 3.7Å; E178-F190 HydrophobicContact CG-CD1 3.93Å; E178-F190 HydrophobicContact CG-CE1 3.73Å; M187-F190 HydrophobicContact CG-CE1 3.72Å; M187-F190 HydrophobicContact CG-CZ 4.26Å; M187-F190 HydrophobicContact SD-CE1 3.46Å; M187-F190 WeakPolarHBondContact SD-CE1 3.49Å; M187-F190 HydrophobicContact SD-CZ 3.35Å; M187-F190 WeakPolarHBondContact SD-CZ 3.38Å; F190-F195 HydrophobicContact CB-CE2 4.01Å; F190-F195 AromaticContact CD2-CE2 3.83Å; F190-F195 HydrophobicContact CD2-CE2 3.83Å; F190-F195 AromaticContact CD2-CZ 3.54Å; F190-F195 HydrophobicContact CD2-CZ 3.54Å; F190-F195 HydrophobicContact CE2-CZ 4.14Å; F190-F195 HydrophobicContact CG-CE2 4.33Å; F190-F195 HydrophobicContact CG-CZ 4.46Å; F190-V254 HydrophobicContact CE2-CG1 4.41Å; F190-R255 HydrophobicContact CD1-CB 4.47Å; F190-R255 HydrophobicContact CD1-CG 4.11Å; F190-R255 HydrophobicContact CD2-CB 3.56Å; F190-R255 HydrophobicContact CD2-CG 4.09Å; F190-R255 HydrophobicContact CE1-CG 4.08Å; F190-R255 HydrophobicContact CE2-CB 3.64Å; F190-R255 HydrophobicContact CE2-CG 4.06Å; F190-R255 HydrophobicContact CG-CB 4.02Å; F190-R255 HydrophobicContact CG-CG 4.15Å; F190-R255 HydrophobicContact CZ-CB 4.16Å; F190-R255 HydrophobicContact CZ-CG 4.07Å; F190-M258 HydrophobicContact CE2-CE 4.46Å; F190-M258 HydrophobicContact CE2-SD 3.6Å; F190-M258 HydrophobicContact CZ-CE 3.92Å; F190-M258 HydrophobicContact CZ-SD 3.61Å
191K93.7Very high93.1Very high144 Ų14450.3 Ų50.363%0.62626%0.257SS*.PPolyproline II helixtrans-71.6146.3162.5-58-61.3-174.6-179.70108.8P177 G193P177-K191 WeakPolarHBondContact O-CB 3.35Å; P177-K191 PolarHBondContact O-N 2.92Å; K191-G193 PolarHBondContact O-N 3.21Å
192R92.8Very high93.3Very high130 Ų13048.9 Ų48.949%0.49126%0.256SS..SBendtrans-82-10.6-171.5-65.3178.9-175.2166.30.5114.8A194 F195 H196 V247R192-A194 PolarHBondContact O-N 3.13Å; R192-F195 WeakPolarHBondContact O-CB 3.35Å; R192-F195 PolarHBondContact O-N 2.99Å; R192-H196 PolarHBondContact O-CD2 2.92Å; R192-H196 PolarHBondContact O-N 2.77Å; R192-V247 HydrophobicContact CB-CG1 3.82Å; R192-V247 HydrophobicContact CG-CG1 4.13Å
193G91.2Very high93.5Very high29 Ų2948.8 Ų48.830%0.29926%0.255SS..Hα-helixtrans-56-43.7-173.400000114.5K191 F195 H196 L197K191-G193 PolarHBondContact O-N 3.21Å; G193-F195 VanDerWaalsContact C-N 3.25Å; G193-F195 PolarHBondContact O-N 3.1Å; G193-H196 PolarHBondContact O-N 2.85Å; G193-L197 WeakPolarHBondContact O-CB 3.43Å; G193-L197 PolarHBondContact O-N 3.48Å
194A93.8Very high94.1Very high2 Ų245.8 Ų45.82%0.01724%0.243CC..Hα-helixtrans-63.4-32.5177.100000113V99 V101 V175 R192 A198V99-A194 HydrophobicContact CG1-CB 4.33Å; V101-A194 HydrophobicContact CG1-CB 3.86Å; V175-A194 HydrophobicContact CB-CB 3.79Å; V175-A194 HydrophobicContact CG1-CB 3.79Å; V175-A194 HydrophobicContact CG2-CB 4.05Å; R192-A194 PolarHBondContact O-N 3.13Å; A194-A198 PolarHBondContact O-N 3.34Å; A194-A198 VanDerWaalsContact O-N 3.1Å
195F96.8Very high94.7Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-81-41.1-177.5-59.7-86.4000110.9V101 P177 F190 R192 G193 L197 A198 V199 I205 V247 L250 A251 V254V101-F195 HydrophobicContact CG1-CZ 4.43Å; P177-F195 HydrophobicContact CB-CE2 3.93Å; F190-F195 HydrophobicContact CB-CE2 4.01Å; F190-F195 AromaticContact CD2-CE2 3.83Å; F190-F195 HydrophobicContact CD2-CE2 3.83Å; F190-F195 AromaticContact CD2-CZ 3.54Å; F190-F195 HydrophobicContact CD2-CZ 3.54Å; F190-F195 HydrophobicContact CE2-CZ 4.14Å; F190-F195 HydrophobicContact CG-CE2 4.33Å; F190-F195 HydrophobicContact CG-CZ 4.46Å; R192-F195 WeakPolarHBondContact O-CB 3.35Å; R192-F195 PolarHBondContact O-N 2.99Å; G193-F195 VanDerWaalsContact C-N 3.25Å; G193-F195 PolarHBondContact O-N 3.1Å; F195-L197 VanDerWaalsContact C-N 3.29Å; F195-L197 PolarHBondContact O-N 3.28Å; F195-A198 PolarHBondContact O-N 3.32Å; F195-V199 WeakPolarHBondContact O-CB 3.17Å; F195-V199 WeakPolarHBondContact O-CG2 3.47Å; F195-V199 PolarHBondContact O-N 3.4Å; F195-I205 HydrophobicContact CD1-CD1 3.38Å; F195-I205 HydrophobicContact CE1-CD1 3.8Å; F195-I205 HydrophobicContact CG-CD1 4.32Å; F195-V247 HydrophobicContact CB-CG1 3.68Å; F195-L250 HydrophobicContact CB-CD2 4.49Å; F195-L250 HydrophobicContact CD1-CD2 4.2Å; F195-L250 HydrophobicContact CD1-CG 3.98Å; F195-A251 HydrophobicContact CD1-CB 4.06Å; F195-A251 HydrophobicContact CD2-CB 3.67Å; F195-A251 HydrophobicContact CE1-CB 4.19Å; F195-A251 HydrophobicContact CE2-CB 3.8Å; F195-A251 HydrophobicContact CG-CB 3.82Å; F195-A251 HydrophobicContact CZ-CB 4.08Å; F195-V254 HydrophobicContact CE1-CB 3.77Å; F195-V254 HydrophobicContact CE1-CG1 3.96Å; F195-V254 HydrophobicContact CE1-CG2 3.97Å; F195-V254 HydrophobicContact CZ-CB 4.27Å; F195-V254 HydrophobicContact CZ-CG1 4.22Å
196H95Very high95.5Very high75 Ų7538.2 Ų38.235%0.34720%0.196SC..Hα-helixtrans-57.9-43.3167.9-79.4-67.3000111.3R192 G193 V199 Q200R192-H196 PolarHBondContact O-CD2 2.92Å; R192-H196 PolarHBondContact O-N 2.77Å; G193-H196 PolarHBondContact O-N 2.85Å; H196-V199 PolarHBondContact O-N 2.9Å; H196-Q200 WeakPolarHBondContact O-CB 3.27Å; H196-Q200 PolarHBondContact O-N 2.92Å
197L95.6Very high95.9Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-57.2-50.7175.5172.958.4000111.8V99 I124 M159 V162 A163 L166 V173 G193 F195 Q200 A201V99-L197 HydrophobicContact CG2-CD2 3.95Å; V99-L197 HydrophobicContact CG2-CG 3.87Å; I124-L197 HydrophobicContact CD1-CD2 4.4Å; M159-L197 WeakPolarHBondContact O-CD1 3.24Å; M159-L197 HydrophobicContact SD-CB 4.24Å; M159-L197 HydrophobicContact SD-CD2 4.06Å; V162-L197 HydrophobicContact CB-CD1 4.21Å; V162-L197 HydrophobicContact CG1-CD1 3.98Å; V162-L197 HydrophobicContact CG1-CD2 3.87Å; A163-L197 HydrophobicContact CB-CD1 3.7Å; L166-L197 HydrophobicContact CD1-CD1 3.71Å; L166-L197 HydrophobicContact CD1-CD2 4.22Å; L166-L197 HydrophobicContact CD1-CG 3.93Å; V173-L197 HydrophobicContact CB-CD2 4.34Å; V173-L197 HydrophobicContact CG1-CD2 3.94Å; G193-L197 WeakPolarHBondContact O-CB 3.43Å; G193-L197 PolarHBondContact O-N 3.48Å; F195-L197 VanDerWaalsContact C-N 3.29Å; F195-L197 PolarHBondContact O-N 3.28Å; L197-Q200 PolarHBondContact O-N 3.42Å; L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 2.93Å
198A97.5Very high96.1Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-64.3-41.7-178.500000112.6V99 A194 F195 Q202 V203 I205 T239V99-A198 HydrophobicContact CB-CB 4.08Å; V99-A198 HydrophobicContact CG2-CB 3.85Å; A194-A198 PolarHBondContact O-N 3.34Å; A194-A198 VanDerWaalsContact O-N 3.1Å; F195-A198 PolarHBondContact O-N 3.32Å; A198-Q202 WeakPolarHBondContact O-CA 3.41Å; A198-Q202 PolarHBondContact O-N 3.48Å; A198-V203 HydrophobicContact CB-CG2 4.49Å; A198-V203 PolarHBondContact O-N 3.45Å; A198-I205 HydrophobicContact CB-CD1 3.76Å; A198-I205 HydrophobicContact CB-CG1 3.38Å; A198-T239 HydrophobicContact CB-CG2 4.03Å; A198-T239 PolarHBondContact O-OG1 2.97Å
199V97.1Very high96.3Very high5 Ų533.6 Ų33.63%0.0317%0.168CC..Hα-helixtrans-68.1-44.91761700000111.1F195 H196 A201 Q202 T239 L242 V247 L250F195-V199 WeakPolarHBondContact O-CB 3.17Å; F195-V199 WeakPolarHBondContact O-CG2 3.47Å; F195-V199 PolarHBondContact O-N 3.4Å; H196-V199 PolarHBondContact O-N 2.9Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 3.21Å; V199-Q202 PolarHBondContact O-N 3.47Å; V199-Q202 PolarHBondContact O-NE2 2.79Å; V199-T239 HydrophobicContact CG2-CG2 4.35Å; V199-L242 HydrophobicContact CG1-CB 4.34Å; V199-L242 WeakPolarHBondContact CG1-O 3.28Å; V199-L242 HydrophobicContact CG2-CB 4.12Å; V199-V247 HydrophobicContact CB-CG2 4.18Å; V199-V247 HydrophobicContact CG1-CG2 4.48Å; V199-V247 HydrophobicContact CG2-CG2 3.88Å; V199-L250 HydrophobicContact CG2-CD2 3.82Å
200Q95.2Very high96.4Very high94 Ų9429.1 Ų29.144%0.43914%0.139SC..Hα-helixtrans-62.1-39.8179.2-177.4179.9-2.600112S160 A163 H196 L197 Q202S160-Q200 PolarHBondContact OG-NE2 3.3Å; A163-Q200 HydrophobicContact CB-CB 4.39Å; A163-Q200 HydrophobicContact CB-CG 4.05Å; H196-Q200 WeakPolarHBondContact O-CB 3.27Å; H196-Q200 PolarHBondContact O-N 2.92Å; L197-Q200 PolarHBondContact O-N 3.42Å; Q200-Q202 VanDerWaalsContact C-N 3.3Å
201A95.9Very high96.4Very high6 Ų628.4 Ų28.45%0.0514%0.137CC..THydrogen-bonded Turntrans-82.8-6.3176.100000113.4A163 L166 L197 V199 V203A163-A201 HydrophobicContact CB-CB 4.08Å; L166-A201 HydrophobicContact CD1-CB 4.2Å; L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 2.93Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 3.21Å; A201-V203 HydrophobicContact CB-CG1 4.03Å; A201-V203 HydrophobicContact CB-CG2 3.96Å; A201-V203 WeakPolarHBondContact O-CG1 3.5Å; A201-V203 PolarHBondContact O-N 2.65Å
202Q96.1Very high96.5Very high86 Ų8622.1 Ų22.140%0.40211%0.11SC..THydrogen-bonded Turntrans50.840.6-173.1-62.2-75.2-66.800112.5A198 V199 Q200 L242A198-Q202 WeakPolarHBondContact O-CA 3.41Å; A198-Q202 PolarHBondContact O-N 3.48Å; V199-Q202 PolarHBondContact O-N 3.47Å; V199-Q202 PolarHBondContact O-NE2 2.79Å; Q200-Q202 VanDerWaalsContact C-N 3.3Å; Q202-L242 PolarHBondContact NE2-O 3.31Å
203V97.5Very high96.6Very high6 Ų616.2 Ų16.24%0.0369%0.088CC..  trans-111.9146.7178.4-60.60000110.8P97 V99 L166 L167 A198 A201 T239P97-V203 HydrophobicContact CB-CG1 4.3Å; P97-V203 HydrophobicContact CG-CG1 3.89Å; V99-V203 HydrophobicContact CG2-CG2 4.02Å; L166-V203 HydrophobicContact CD1-CG2 4.32Å; L167-V203 HydrophobicContact CD2-CG1 3.9Å; A198-V203 HydrophobicContact CB-CG2 4.49Å; A198-V203 PolarHBondContact O-N 3.45Å; A201-V203 HydrophobicContact CB-CG1 4.03Å; A201-V203 HydrophobicContact CB-CG2 3.96Å; A201-V203 WeakPolarHBondContact O-CG1 3.5Å; A201-V203 PolarHBondContact O-N 2.65Å; V203-T239 PolarHBondContact N-OG1 2.71Å; V203-T239 WeakPolarHBondContact O-CG2 3.3Å; V203-T239 PolarHBondContact O-OG1 3.17Å
204P98.2Very high96.7Very high12 Ų1217.6 Ų17.68%0.0789%0.087CC..  trans-67.4159-177.629.5-35.7000111.4P93 Y98 V99 P236 V237P93-P204 HydrophobicContact CG-CG 4.23Å; Y98-P204 WeakPolarHBondContact CA-O 3.44Å; Y98-P204 VanDerWaalsContact CB-O 3.24Å; Y98-P204 WeakPolarHBondContact CB-O 3.4Å; V99-P204 PolarHBondContact N-O 3.09Å; P204-P236 HydrophobicContact CB-CB 4.09Å; P204-V237 VanDerWaalsContact CA-O 3.32Å; P204-V237 WeakPolarHBondContact CA-O 3.32Å; P204-V237 WeakPolarHBondContact CB-O 3.26Å
205I98.7Very high96.5Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-98.9128.6172.3-62.2174.7000108.1V99 V101 F195 A198 P207 P236 V237 T239 L250V99-I205 CarbonylContact O-C 3.53Å; V99-I205 VanDerWaalsContact O-CA 3.26Å; V99-I205 WeakPolarHBondContact O-CA 3.44Å; V101-I205 HydrophobicContact CB-CG2 4.32Å; V101-I205 HydrophobicContact CG1-CG2 3.97Å; V101-I205 HydrophobicContact CG2-CG2 3.45Å; V101-I205 VanDerWaalsContact CG2-CG2 3.45Å; F195-I205 HydrophobicContact CD1-CD1 3.38Å; F195-I205 HydrophobicContact CE1-CD1 3.8Å; F195-I205 HydrophobicContact CG-CD1 4.32Å; A198-I205 HydrophobicContact CB-CD1 3.76Å; A198-I205 HydrophobicContact CB-CG1 3.38Å; I205-P207 WeakPolarHBondContact O-CD 3.47Å; I205-P236 CarbonylContact O-C 3.54Å; I205-P236 VanDerWaalsContact O-CA 3.31Å; I205-P236 WeakPolarHBondContact O-CA 3.29Å; I205-V237 HydrophobicContact CB-CB 4.43Å; I205-V237 PolarHBondContact N-O 3.21Å; I205-V237 PolarHBondContact O-N 3.43Å; I205-T239 HydrophobicContact CD1-CG2 4.19Å; I205-T239 HydrophobicContact CG1-CG2 4.04Å; I205-L250 HydrophobicContact CD1-CD2 3.86Å; I205-L250 HydrophobicContact CD1-CG 4.28Å
206V98.7Very high96.4Very high0 Ų021.5 Ų21.50%011%0.107CC..EExtended strand (participates in β ladder)trans-105.3105173.1-177.90000108.9F92 P93 Y98 V99 V100 V101 I208 V233 P236F92-V206 HydrophobicContact CD1-CG1 3.93Å; F92-V206 HydrophobicContact CE1-CG1 3.85Å; P93-V206 HydrophobicContact CG-CG2 4.21Å; Y98-V206 HydrophobicContact CD2-CB 4.1Å; Y98-V206 HydrophobicContact CD2-CG2 3.5Å; Y98-V206 HydrophobicContact CE2-CB 4.4Å; Y98-V206 HydrophobicContact CE2-CG2 3.93Å; Y98-V206 HydrophobicContact CG-CG2 3.87Å; V99-V206 PolarHBondContact O-N 2.89Å; V100-V206 WeakPolarHBondContact CA-O 3.37Å; V100-V206 HydrophobicContact CG2-CB 4.39Å; V101-V206 PolarHBondContact N-O 3.03Å; V206-I208 HydrophobicContact CG1-CG1 4.48Å; V206-V233 HydrophobicContact CG1-CG1 3.75Å; V206-P236 HydrophobicContact CG2-CB 4.19Å; V206-P236 HydrophobicContact CG2-CG 4.2Å
207P98.9Very high96.4Very high2 Ų218.6 Ų18.61%0.0139%0.093CC..EExtended strand (participates in β ladder)trans-76.7133.4178-9.726.7000110.9V101 I205 L234 V237 V254 M258V101-P207 HydrophobicContact CG2-CB 4.19Å; V101-P207 CarbonylContact O-C 3.51Å; V101-P207 WeakPolarHBondContact O-CA 3.44Å; I205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-L234 HydrophobicContact CB-CB 4.08Å; P207-L234 HydrophobicContact CB-CD1 4.14Å; P207-L234 HydrophobicContact CB-CG 4.33Å; P207-L234 HydrophobicContact CG-CB 4.19Å; P207-L234 WeakPolarHBondContact O-CB 3.5Å; P207-L234 PolarHBondContact O-N 2.99Å; P207-V237 HydrophobicContact CG-CG2 4.21Å; P207-V254 HydrophobicContact CB-CG1 4.32Å; P207-V254 HydrophobicContact CG-CG1 4.11Å; P207-M258 HydrophobicContact CB-CG 3.66Å; P207-M258 HydrophobicContact CB-SD 3.84Å
208I98.8Very high96.3Very high0 Ų019.5 Ų19.50%010%0.1CC..EExtended strand (participates in β ladder)trans-124.2126.1174.2-61-177.1000109.3F92 V100 V101 S102 V116 W174 V206 V231 R232 V233 M258F92-I208 HydrophobicContact CE1-CD1 3.9Å; F92-I208 HydrophobicContact CZ-CD1 3.72Å; V100-I208 HydrophobicContact CG1-CB 4.4Å; V100-I208 HydrophobicContact CG1-CD1 3.51Å; V100-I208 HydrophobicContact CG1-CG1 3.87Å; V101-I208 PolarHBondContact O-N 2.95Å; S102-I208 WeakPolarHBondContact CA-O 3.44Å; S102-I208 VanDerWaalsContact CB-O 3.26Å; S102-I208 WeakPolarHBondContact CB-O 3.44Å; V116-I208 HydrophobicContact CG2-CD1 3.95Å; V116-I208 HydrophobicContact CG2-CG2 4.25Å; W174-I208 HydrophobicContact CH2-CB 4.43Å; W174-I208 HydrophobicContact CH2-CD1 3.52Å; W174-I208 HydrophobicContact CH2-CG2 4.24Å; W174-I208 HydrophobicContact CZ2-CD1 4.32Å; W174-I208 HydrophobicContact CZ3-CD1 3.69Å; V206-I208 HydrophobicContact CG1-CG1 4.48Å; I208-V231 HydrophobicContact CG2-CG1 3.66Å; I208-R232 CarbonylContact C-O 3.6Å; I208-R232 WeakPolarHBondContact CA-O 3.41Å; I208-V233 HydrophobicContact CD1-CG2 4.17Å; I208-V233 HydrophobicContact CG1-CB 4.45Å; I208-V233 HydrophobicContact CG1-CG1 4.25Å; I208-V233 HydrophobicContact CG1-CG2 4.16Å; I208-M258 WeakPolarHBondContact O-CE 3.33Å
209V98.5Very high96.1Very high0 Ų025.3 Ų25.30%013%0.125CC..EExtended strand (participates in β ladder)trans-113.3120.7-178.5-172.10000109.6N103 V231 R232 L234 M258 V261 F262 I265N103-V209 WeakPolarHBondContact OD1-CA 3.14Å; V209-V231 CarbonylContact O-C 3.56Å; V209-V231 WeakPolarHBondContact O-CA 3.37Å; V209-R232 HydrophobicContact CB-CB 4.38Å; V209-R232 PolarHBondContact N-O 2.98Å; V209-R232 PolarHBondContact O-N 2.93Å; V209-L234 HydrophobicContact CG2-CD1 4.03Å; V209-L234 HydrophobicContact CG2-CG 4.38Å; V209-M258 HydrophobicContact CG2-CB 3.83Å; V209-M258 HydrophobicContact CG2-CE 4.35Å; V209-M258 HydrophobicContact CG2-CG 3.89Å; V209-V261 HydrophobicContact CB-CG1 4.22Å; V209-V261 HydrophobicContact CG1-CG1 4.39Å; V209-V261 HydrophobicContact CG2-CB 4.28Å; V209-V261 HydrophobicContact CG2-CG1 4.33Å; V209-F262 HydrophobicContact CG1-CB 3.6Å; V209-F262 HydrophobicContact CG1-CD2 4Å; V209-F262 HydrophobicContact CG1-CG 4.31Å; V209-I265 HydrophobicContact CB-CD1 4.38Å; V209-I265 HydrophobicContact CG1-CD1 3.97Å
210M97.9Very high95.8Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-98.5129.5171.2-55.2-178.3-170.200108.6N103 Q105 D109 M113 W174 Y213 Q230 V231 F262N103-M210 PolarHBondContact ND2-O 3.22Å; N103-M210 PolarHBondContact OD1-N 2.95Å; Q105-M210 PolarHBondContact NE2-O 3.15Å; D109-M210 HydrophobicContact CB-SD 4.24Å; M113-M210 HydrophobicContact CB-CE 4.09Å; W174-M210 HydrophobicContact CH2-CE 4.19Å; W174-M210 HydrophobicContact CZ2-CE 3.76Å; M210-Y213 HydrophobicContact CB-CE1 4.29Å; M210-Y213 PolarHBondContact SD-OH 3.28Å; M210-Q230 CarbonylContact C-O 3.53Å; M210-Q230 WeakPolarHBondContact CA-O 3.47Å; M210-V231 HydrophobicContact CG-CG2 4.23Å; M210-F262 WeakPolarHBondContact O-CD2 3.32Å; M210-F262 WeakPolarHBondContact O-CE2 3.42Å
211S96.7Very high95.7Very high6 Ų635.8 Ų35.84%0.04217%0.17CC..PPolyproline II helixtrans-59.6163.4179.269.10000111.9Q105 Y213 Q230Q105-S211 PolarHBondContact NE2-O 3.37Å; S211-Y213 VanDerWaalsContact O-CD1 3.28Å; S211-Y213 WeakPolarHBondContact O-CD1 3.27Å; S211-Y213 VanDerWaalsContact O-CE1 3.29Å; S211-Y213 WeakPolarHBondContact O-CE1 3.31Å; S211-Y213 PolarHBondContact O-N 3.07Å; S211-Q230 PolarHBondContact N-O 3.03Å; S211-Q230 PolarHBondContact OG-N 3.38Å
212S96.2Very high95.6Very high11 Ų1141 Ų418%0.07719%0.189CC..PPolyproline II helixtrans-56135.5175.7-167.50000111.1Q214 S266S212-Q214 VanDerWaalsContact C-N 3.26Å; S212-Q214 WeakPolarHBondContact OG-CB 3.47Å; S212-Q214 WeakPolarHBondContact OG-CG 3.34Å; S212-Q214 PolarHBondContact OG-N 3.06Å; S212-S266 PolarHBondContact N-OG 3.16Å
213Y95.2Very high95.5Very high6 Ų639.8 Ų39.82%0.02418%0.181CC..  trans-86.2-1.2171-50.8-26.4000112.5Q105 L108 D109 M210 S211 D215 F216 Y217 C229Q105-Y213 HydrophobicContact CB-CD2 3.95Å; Q105-Y213 HydrophobicContact CB-CE2 3.76Å; L108-Y213 HydrophobicContact CB-CD2 4.32Å; L108-Y213 HydrophobicContact CB-CE2 4.13Å; D109-Y213 WeakPolarHBondContact CA-OH 3.35Å; D109-Y213 WeakPolarHBondContact OD1-CE2 3.45Å; D109-Y213 VanDerWaalsContact OD1-CZ 3.25Å; D109-Y213 PolarHBondContact OD1-OH 2.85Å; M210-Y213 HydrophobicContact CB-CE1 4.29Å; M210-Y213 PolarHBondContact SD-OH 3.28Å; S211-Y213 VanDerWaalsContact O-CD1 3.28Å; S211-Y213 WeakPolarHBondContact O-CD1 3.27Å; S211-Y213 VanDerWaalsContact O-CE1 3.29Å; S211-Y213 WeakPolarHBondContact O-CE1 3.31Å; S211-Y213 PolarHBondContact O-N 3.07Å; Y213-D215 PolarHBondContact O-N 3.44Å; Y213-F216 AromaticContact CD1-CE1 3.95Å; Y213-F216 HydrophobicContact CD1-CE1 3.95Å; Y213-F216 AromaticContact CD1-CZ 3.65Å; Y213-F216 HydrophobicContact CD1-CZ 3.65Å; Y213-F216 HydrophobicContact CG-CE1 4.27Å; Y213-F216 HydrophobicContact CG-CE2 4.48Å; Y213-F216 AromaticContact CG-CZ 3.78Å; Y213-F216 HydrophobicContact CG-CZ 3.78Å; Y213-F216 PolarHBondContact O-N 2.88Å; Y213-Y217 CarbonylContact C-O 3.57Å; Y213-Y217 CarbonylContact O-C 3.57Å; Y213-Y217 WeakPolarHBondContact O-CA 3.32Å; Y213-Y217 PolarHBondContact O-N 3.46Å; Y213-C229 VanDerWaalsContact CE1-SG 3.57Å
214Q92.5Very high95.5Very high59 Ų5939.8 Ų39.828%0.27618%0.18SC..THydrogen-bonded Turntrans-53.2-29.3-171.8-79.7-178.40.700113G185 S212 F216 R223G185-Q214 VanDerWaalsContact N-NE2 3.15Å; S212-Q214 VanDerWaalsContact C-N 3.26Å; S212-Q214 WeakPolarHBondContact OG-CB 3.47Å; S212-Q214 WeakPolarHBondContact OG-CG 3.34Å; S212-Q214 PolarHBondContact OG-N 3.06Å; Q214-F216 PolarHBondContact O-N 3.48Å; Q214-R223 PolarHBondContact O-NH1 3.38Å; Q214-R223 PolarHBondContact O-NH2 2.67Å
215D89.5Confident95.3Very high79 Ų7941.7 Ų41.742%0.42219%0.191SC..THydrogen-bonded Turntrans-71.6-30.8-178.3-60.6-21000113.4Y213 R223Y213-D215 PolarHBondContact O-N 3.44Å; D215-R223 PolarHBondContact O-NH1 3.05Å
216F94.2Very high95.2Very high4 Ų445.3 Ų45.32%0.01822%0.217CC..THydrogen-bonded Turntrans-120.8-18.8-178.269.3-93.3000114.8I82 Y213 Q214 F224 T225 S226 Q228 C229I82-F216 HydrophobicContact CD1-CD2 4.21Å; I82-F216 HydrophobicContact CD1-CE2 3.79Å; I82-F216 HydrophobicContact CG1-CD2 4.26Å; I82-F216 HydrophobicContact CG1-CE2 4.18Å; I82-F216 HydrophobicContact CG2-CZ 4.42Å; Y213-F216 AromaticContact CD1-CE1 3.95Å; Y213-F216 HydrophobicContact CD1-CE1 3.95Å; Y213-F216 AromaticContact CD1-CZ 3.65Å; Y213-F216 HydrophobicContact CD1-CZ 3.65Å; Y213-F216 HydrophobicContact CG-CE1 4.27Å; Y213-F216 HydrophobicContact CG-CE2 4.48Å; Y213-F216 AromaticContact CG-CZ 3.78Å; Y213-F216 HydrophobicContact CG-CZ 3.78Å; Y213-F216 PolarHBondContact O-N 2.88Å; Q214-F216 PolarHBondContact O-N 3.48Å; F216-F224 CarbonylContact O-C 3.48Å; F216-F224 VanDerWaalsContact O-CA 3.22Å; F216-F224 WeakPolarHBondContact O-CA 3.36Å; F216-T225 WeakPolarHBondContact CA-OG1 3.01Å; F216-T225 PolarHBondContact O-N 3.25Å; F216-T225 PolarHBondContact O-OG1 2.95Å; F216-S226 VanDerWaalsContact CB-O 3.27Å; F216-S226 WeakPolarHBondContact CB-O 3.43Å; F216-Q228 WeakPolarHBondContact CE1-O 3.22Å; F216-C229 HydrophobicContact CE1-CB 4.31Å; F216-C229 HydrophobicContact CZ-CB 4.44Å
217Y95.5Very high95.1Very high14 Ų1446.4 Ų46.46%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-137.1117179.1177.2-96.9000111.6Y34 M38 L108 Y213 R223 F224Y34-Y217 HydrophobicContact CE2-CD2 4.36Å; Y34-Y217 AromaticContact CE2-CE2 3.8Å; Y34-Y217 HydrophobicContact CE2-CE2 3.8Å; M38-Y217 HydrophobicContact SD-CE2 3.71Å; L108-Y217 HydrophobicContact CD1-CD1 3.55Å; L108-Y217 HydrophobicContact CD1-CD2 3.23Å; L108-Y217 HydrophobicContact CD1-CE1 3.82Å; L108-Y217 HydrophobicContact CD1-CE2 3.52Å; L108-Y217 HydrophobicContact CD1-CG 3.23Å; Y213-Y217 CarbonylContact C-O 3.57Å; Y213-Y217 CarbonylContact O-C 3.57Å; Y213-Y217 WeakPolarHBondContact O-CA 3.32Å; Y213-Y217 PolarHBondContact O-N 3.46Å; Y217-R223 WeakPolarHBondContact CA-O 3.22Å; Y217-F224 HydrophobicContact CD2-CB 4.13Å; Y217-F224 HydrophobicContact CD2-CD1 4.19Å; Y217-F224 HydrophobicContact CD2-CD2 4.09Å; Y217-F224 AromaticContact CD2-CG 3.89Å; Y217-F224 HydrophobicContact CD2-CG 3.89Å; Y217-F224 HydrophobicContact CE2-CD1 4.44Å
218C94.3Very high94.9Very high20 Ų2052 Ų5214%0.13525%0.254CS..EExtended strand (participates in β ladder)trans-139.2113.1172.8-179.60000109.9K220 E221 R222 R223C218-K220 VanDerWaalsContact C-N 3.33Å; C218-K220 PolarHBondContact O-N 3.03Å; C218-E221 HydrophobicContact CB-CB 4.04Å; C218-E221 HydrophobicContact CB-CG 4.42Å; C218-E221 PolarHBondContact O-N 3.29Å; C218-E221 VanDerWaalsContact SG-CD 3.58Å; C218-R222 WeakPolarHBondContact O-CA 3.23Å; C218-R222 PolarHBondContact O-N 3.28Å; C218-R223 VanDerWaalsContact CB-NH2 3.26Å; C218-R223 PolarHBondContact N-O 2.93Å; C218-R223 PolarHBondContact O-N 2.88Å
219K91.9Very high94.8Very high122 Ų12252.2 Ų52.253%0.5326%0.256SS..THydrogen-bonded Turntrans-63.1-38.4179.9-179.1175.7178.8-175.30112.2R222K219-R222 PolarHBondContact O-N 3.09Å
220K91.7Very high94.8Very high196 Ų19653.6 Ų53.685%0.85226%0.262SS*.THydrogen-bonded Turntrans-65.6-44.7-179.4-175.9-178.3176.8-175.20111.3C218 R222C218-K220 VanDerWaalsContact C-N 3.33Å; C218-K220 PolarHBondContact O-N 3.03Å; K220-R222 VanDerWaalsContact C-N 3.27Å; K220-R222 PolarHBondContact O-N 2.92Å
221E92.7Very high94.8Very high122 Ų12253.6 Ų53.657%0.5726%0.262SS*.THydrogen-bonded Turntrans-81.7-5.4178.1-68.6161.4-143.600113.1C218 R223C218-E221 HydrophobicContact CB-CB 4.04Å; C218-E221 HydrophobicContact CB-CG 4.42Å; C218-E221 PolarHBondContact O-N 3.29Å; C218-E221 VanDerWaalsContact SG-CD 3.58Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 HydrophobicContact CB-CB 4.36Å; E221-R223 PolarHBondContact O-N 3.2Å; E221-R223 IonicContact OE2-CZ 3.41Å; E221-R223 IonicContact OE2-NE 3.19Å; E221-R223 PolarHBondContact OE2-NE 3.15Å; E221-R223 IonicContact OE2-NH2 2.74Å; E221-R223 PolarHBondContact OE2-NH2 3.27Å
222R93.9Very high94.9Very high116 Ų11656.4 Ų56.444%0.43827%0.272SS..THydrogen-bonded Turntrans49.950.8-172.4-57.3168.5-176166.41.7110.7S31 Y34 C218 K219 K220S31-R222 WeakPolarHBondContact OG-CD 3.22Å; S31-R222 PolarHBondContact OG-NH1 3.04Å; Y34-R222 WeakPolarHBondContact CB-O 3.33Å; Y34-R222 HydrophobicContact CD1-CB 3.8Å; Y34-R222 HydrophobicContact CD1-CG 4.16Å; Y34-R222 VanDerWaalsContact CD2-C 3.42Å; Y34-R222 HydrophobicContact CD2-CB 4.35Å; Y34-R222 HydrophobicContact CE1-CB 4.43Å; Y34-R222 HydrophobicContact CE1-CG 4.43Å; Y34-R222 HydrophobicContact CG-CB 3.78Å; C218-R222 WeakPolarHBondContact O-CA 3.23Å; C218-R222 PolarHBondContact O-N 3.28Å; K219-R222 PolarHBondContact O-N 3.09Å; K220-R222 VanDerWaalsContact C-N 3.27Å; K220-R222 PolarHBondContact O-N 2.92Å
223R94.1Very high95Very high61 Ų6155.9 Ų55.923%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-111.4129.6177.2-178.3165.84467.46.6109.2Q214 D215 Y217 C218 E221 T225Q214-R223 PolarHBondContact O-NH1 3.38Å; Q214-R223 PolarHBondContact O-NH2 2.67Å; D215-R223 PolarHBondContact O-NH1 3.05Å; Y217-R223 WeakPolarHBondContact CA-O 3.22Å; C218-R223 VanDerWaalsContact CB-NH2 3.26Å; C218-R223 PolarHBondContact N-O 2.93Å; C218-R223 PolarHBondContact O-N 2.88Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 HydrophobicContact CB-CB 4.36Å; E221-R223 PolarHBondContact O-N 3.2Å; E221-R223 IonicContact OE2-CZ 3.41Å; E221-R223 IonicContact OE2-NE 3.19Å; E221-R223 PolarHBondContact OE2-NE 3.15Å; E221-R223 IonicContact OE2-NH2 2.74Å; E221-R223 PolarHBondContact OE2-NH2 3.27Å; R223-T225 HydrophobicContact CG-CG2 4.11Å
224F96.6Very high95.1Very high6 Ų656 Ų563%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-146.3101170.2-168.6-179000109.3Y34 K37 M38 Y80 I82 L108 F216 Y217Y34-F224 HydrophobicContact CD2-CB 3.83Å; Y34-F224 HydrophobicContact CE2-CB 4.42Å; K37-F224 HydrophobicContact CB-CD1 3.89Å; K37-F224 HydrophobicContact CB-CG 4.44Å; K37-F224 HydrophobicContact CD-CB 4.26Å; K37-F224 HydrophobicContact CD-CG 4.38Å; K37-F224 WeakPolarHBondContact CD-O 3.22Å; K37-F224 WeakPolarHBondContact CE-O 3.32Å; K37-F224 PolarHBondContact NZ-O 2.99Å; M38-F224 HydrophobicContact CG-CD1 4.2Å; M38-F224 HydrophobicContact SD-CD1 3.61Å; M38-F224 HydrophobicContact SD-CE1 3.74Å; Y80-F224 HydrophobicContact CD1-CD1 4.29Å; Y80-F224 HydrophobicContact CD1-CD2 4.26Å; Y80-F224 AromaticContact CD1-CE1 3.63Å; Y80-F224 HydrophobicContact CD1-CE1 3.63Å; Y80-F224 AromaticContact CD1-CE2 3.58Å; Y80-F224 HydrophobicContact CD1-CE2 3.58Å; Y80-F224 AromaticContact CD1-CZ 3.19Å; Y80-F224 HydrophobicContact CD1-CZ 3.19Å; Y80-F224 HydrophobicContact CD2-CZ 4.38Å; Y80-F224 HydrophobicContact CE1-CD1 4.05Å; Y80-F224 AromaticContact CE1-CE1 3.36Å; Y80-F224 HydrophobicContact CE1-CE1 3.36Å; Y80-F224 HydrophobicContact CE1-CE2 4.22Å; Y80-F224 AromaticContact CE1-CZ 3.44Å; Y80-F224 HydrophobicContact CE1-CZ 3.44Å; Y80-F224 VanDerWaalsContact CE1-CZ 3.44Å; Y80-F224 HydrophobicContact CG-CE1 4.48Å; Y80-F224 HydrophobicContact CG-CE2 4.08Å; Y80-F224 AromaticContact CG-CZ 3.72Å; Y80-F224 HydrophobicContact CG-CZ 3.72Å; I82-F224 HydrophobicContact CD1-CE2 4.05Å; L108-F224 HydrophobicContact CD1-CE2 4.4Å; L108-F224 HydrophobicContact CD1-CZ 4.26Å; L108-F224 HydrophobicContact CD2-CE1 4.13Å; L108-F224 HydrophobicContact CD2-CE2 4Å; L108-F224 HydrophobicContact CD2-CZ 3.43Å; L108-F224 VanDerWaalsContact CD2-CZ 3.43Å; L108-F224 HydrophobicContact CG-CZ 4.44Å; F216-F224 CarbonylContact O-C 3.48Å; F216-F224 VanDerWaalsContact O-CA 3.22Å; F216-F224 WeakPolarHBondContact O-CA 3.36Å; Y217-F224 HydrophobicContact CD2-CB 4.13Å; Y217-F224 HydrophobicContact CD2-CD1 4.19Å; Y217-F224 HydrophobicContact CD2-CD2 4.09Å; Y217-F224 AromaticContact CD2-CG 3.89Å; Y217-F224 HydrophobicContact CD2-CG 3.89Å; Y217-F224 HydrophobicContact CE2-CD1 4.44Å
225T95.5Very high95.4Very high51 Ų5156.8 Ų56.831%0.31328%0.279SS..  trans-123.4180-175.957.20000110.8F216 R223F216-T225 WeakPolarHBondContact CA-OG1 3.01Å; F216-T225 PolarHBondContact O-N 3.25Å; F216-T225 PolarHBondContact O-OG1 2.95Å; R223-T225 HydrophobicContact CG-CG2 4.11Å
226S96.5Very high95.9Very high77 Ų7755.3 Ų55.354%0.53827%0.274SS..  trans-65.8160.4163.346.40000110.6Y80 G81 F216Y80-S226 WeakPolarHBondContact O-CA 3.44Å; G81-S226 WeakPolarHBondContact O-CA 3.05Å; G81-S226 WeakPolarHBondContact O-CB 3.34Å; F216-S226 VanDerWaalsContact CB-O 3.27Å; F216-S226 WeakPolarHBondContact CB-O 3.43Å
227G96.2Very high96.1Very high22 Ų2257 Ų5723%0.22728%0.284CS..EExtended strand (participates in β ladder)trans173.6-165.7-178.700000113G81 I82 R83G81-G227 PolarHBondContact O-N 3.25Å; I82-G227 WeakPolarHBondContact CA-O 3.4Å; R83-G227 PolarHBondContact N-O 3.36Å
228Q95.3Very high96.2Very high121 Ų12160.9 Ų60.957%0.56531%0.311SS*.EExtended strand (participates in β ladder)trans-126145.6-179.5-54.2-167.850.800110.1R83 F216R83-Q228 HydrophobicContact CB-CG 4.29Å; R83-Q228 CarbonylContact O-C 3.54Å; R83-Q228 VanDerWaalsContact O-CA 3.31Å; R83-Q228 WeakPolarHBondContact O-CA 3.28Å; F216-Q228 WeakPolarHBondContact CE1-O 3.22Å
229C95.7Very high96.4Very high4 Ų460 Ų603%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-132122.9174.7174.10000108.2I82 R83 V84 E85 Y213 F216I82-C229 HydrophobicContact CG2-CB 4.49Å; R83-C229 PolarHBondContact O-N 3.34Å; V84-C229 CarbonylContact C-O 3.47Å; V84-C229 VanDerWaalsContact CA-O 3.29Å; V84-C229 WeakPolarHBondContact CA-O 3.35Å; V84-C229 HydrophobicContact CG2-CB 4.39Å; E85-C229 PolarHBondContact N-O 2.98Å; Y213-C229 VanDerWaalsContact CE1-SG 3.57Å; F216-C229 HydrophobicContact CE1-CB 4.31Å; F216-C229 HydrophobicContact CZ-CB 4.44Å
230Q97.7Very high96.6Very high29 Ų2962.4 Ų62.414%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-92136.8172-63.2-168.965.800109.6E85 M210 S211 I265E85-Q230 CarbonylContact O-C 3.47Å; E85-Q230 WeakPolarHBondContact O-CA 3.26Å; M210-Q230 CarbonylContact C-O 3.53Å; M210-Q230 WeakPolarHBondContact CA-O 3.47Å; S211-Q230 PolarHBondContact N-O 3.03Å; S211-Q230 PolarHBondContact OG-N 3.38Å; Q230-I265 HydrophobicContact CB-CB 4.24Å; Q230-I265 HydrophobicContact CB-CD1 4.27Å; Q230-I265 PolarHBondContact NE2-O 3.45Å
231V98.4Very high96.9Very high0 Ų056 Ų560%031%0.308CS..EExtended strand (participates in β ladder)trans-121.1117.7174.8-177.90000108.5V84 E85 V86 R87 V116 I208 V209 M210V84-V231 HydrophobicContact CG1-CG2 3.6Å; E85-V231 PolarHBondContact O-N 2.88Å; V86-V231 CarbonylContact C-O 3.57Å; V86-V231 WeakPolarHBondContact CA-O 3.46Å; V86-V231 HydrophobicContact CG2-CB 4.29Å; R87-V231 PolarHBondContact N-O 3.29Å; V116-V231 HydrophobicContact CG1-CG1 3.84Å; V116-V231 HydrophobicContact CG2-CG1 3.9Å; I208-V231 HydrophobicContact CG2-CG1 3.66Å; V209-V231 CarbonylContact O-C 3.56Å; V209-V231 WeakPolarHBondContact O-CA 3.37Å; M210-V231 HydrophobicContact CG-CG2 4.23Å
232R98.5Very high97.1Very high65 Ų6552.2 Ų52.225%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-107.8114.6178.4-67.3-70.6-65.9-177.4-0.7109.7R87 I208 V209 L234 V261 I265R87-R232 VanDerWaalsContact CB-NH1 3.34Å; I208-R232 CarbonylContact C-O 3.6Å; I208-R232 WeakPolarHBondContact CA-O 3.41Å; V209-R232 HydrophobicContact CB-CB 4.38Å; V209-R232 PolarHBondContact N-O 2.98Å; V209-R232 PolarHBondContact O-N 2.93Å; R232-L234 HydrophobicContact CB-CD2 4.14Å; R232-V261 HydrophobicContact CB-CG1 3.88Å; R232-V261 HydrophobicContact CG-CG1 3.78Å; R232-I265 HydrophobicContact CB-CD1 4.4Å; R232-I265 HydrophobicContact CG-CD1 3.76Å; R232-I265 HydrophobicContact CG-CG2 3.71Å
233V98.8Very high97.3Very high0 Ų049.6 Ų49.60%029%0.289CS..EExtended strand (participates in β ladder)trans-86.5118.4166-174.80000107.3R87 G88 H91 F92 V116 V206 I208R87-V233 PolarHBondContact O-N 3.05Å; G88-V233 WeakPolarHBondContact O-CB 3.49Å; H91-V233 HydrophobicContact CB-CG1 4.14Å; H91-V233 PolarHBondContact ND1-O 3.3Å; F92-V233 HydrophobicContact CD1-CG1 4.22Å; F92-V233 HydrophobicContact CD2-CG1 4.47Å; F92-V233 HydrophobicContact CE1-CG1 3.87Å; F92-V233 HydrophobicContact CE2-CG1 4.14Å; F92-V233 HydrophobicContact CE2-CG2 3.92Å; F92-V233 HydrophobicContact CG-CG1 4.5Å; F92-V233 HydrophobicContact CZ-CB 4.48Å; F92-V233 HydrophobicContact CZ-CG1 3.83Å; F92-V233 HydrophobicContact CZ-CG2 3.79Å; V116-V233 HydrophobicContact CB-CG2 4.43Å; V116-V233 HydrophobicContact CG1-CG2 4.39Å; V206-V233 HydrophobicContact CG1-CG1 3.75Å; I208-V233 HydrophobicContact CD1-CG2 4.17Å; I208-V233 HydrophobicContact CG1-CB 4.45Å; I208-V233 HydrophobicContact CG1-CG1 4.25Å; I208-V233 HydrophobicContact CG1-CG2 4.16Å
234L98.6Very high97.4Very high9 Ų950.7 Ų50.75%0.04730%0.304CS..PPolyproline II helixtrans-89.5160.9-178-56.9-169000111.2P207 V209 R232 M258 V261P207-L234 HydrophobicContact CB-CB 4.08Å; P207-L234 HydrophobicContact CB-CD1 4.14Å; P207-L234 HydrophobicContact CB-CG 4.33Å; P207-L234 HydrophobicContact CG-CB 4.19Å; P207-L234 WeakPolarHBondContact O-CB 3.5Å; P207-L234 PolarHBondContact O-N 2.99Å; V209-L234 HydrophobicContact CG2-CD1 4.03Å; V209-L234 HydrophobicContact CG2-CG 4.38Å; R232-L234 HydrophobicContact CB-CD2 4.14Å; L234-M258 HydrophobicContact CD1-CG 4.4Å; L234-V261 HydrophobicContact CD1-CB 4.47Å; L234-V261 HydrophobicContact CD1-CG2 3.98Å; L234-V261 HydrophobicContact CD2-CB 4.47Å; L234-V261 HydrophobicContact CD2-CG1 4.19Å; L234-V261 HydrophobicContact CD2-CG2 3.92Å
235P98.4Very high97.4Very high74 Ų7457.4 Ų57.448%0.48134%0.34SS..PPolyproline II helixtrans-52.3139.7172.9-27.235.7000111.6
236P98.5Very high97.5Very high48 Ų4857.8 Ų57.831%0.31234%0.34SS..PPolyproline II helixtrans-61.2141.6177.2-20.632.8000111.4H91 P93 P204 I205 V206H91-P236 WeakPolarHBondContact O-CD 3.21Å; H91-P236 WeakPolarHBondContact O-CG 3.33Å; P93-P236 HydrophobicContact CG-CB 4.34Å; P93-P236 HydrophobicContact CG-CG 3.89Å; P204-P236 HydrophobicContact CB-CB 4.09Å; I205-P236 CarbonylContact O-C 3.54Å; I205-P236 VanDerWaalsContact O-CA 3.31Å; I205-P236 WeakPolarHBondContact O-CA 3.29Å; V206-P236 HydrophobicContact CG2-CB 4.19Å; V206-P236 HydrophobicContact CG2-CG 4.2Å
237V98.6Very high97.6Very high40 Ų4054.1 Ų54.124%0.24231%0.314CS..BIsolated β-bridgetrans-98.5116.9174.6-177.80000108.1P204 I205 P207 L250 V254P204-V237 VanDerWaalsContact CA-O 3.32Å; P204-V237 WeakPolarHBondContact CA-O 3.32Å; P204-V237 WeakPolarHBondContact CB-O 3.26Å; I205-V237 HydrophobicContact CB-CB 4.43Å; I205-V237 PolarHBondContact N-O 3.21Å; I205-V237 PolarHBondContact O-N 3.43Å; P207-V237 HydrophobicContact CG-CG2 4.21Å; V237-L250 HydrophobicContact CG1-CD1 3.74Å; V237-V254 HydrophobicContact CB-CG2 4.39Å; V237-V254 HydrophobicContact CG1-CG2 4.28Å; V237-V254 HydrophobicContact CG2-CG2 4.1Å
238P98Very high97.7Very high96 Ų9654.8 Ų54.862%0.62331%0.314SS*.PPolyproline II helixtrans-67.4147.8179.928.4-34.2000111.1
239T98.1Very high97.8Very high2 Ų251.3 Ų51.31%0.01231%0.306CS..  trans-123-1.9176.259.80000112.9A198 V199 V203 I205 G241 L242 L250A198-T239 HydrophobicContact CB-CG2 4.03Å; A198-T239 PolarHBondContact O-OG1 2.97Å; V199-T239 HydrophobicContact CG2-CG2 4.35Å; V203-T239 PolarHBondContact N-OG1 2.71Å; V203-T239 WeakPolarHBondContact O-CG2 3.3Å; V203-T239 PolarHBondContact O-OG1 3.17Å; I205-T239 HydrophobicContact CD1-CG2 4.19Å; I205-T239 HydrophobicContact CG1-CG2 4.04Å; T239-G241 PolarHBondContact O-N 2.78Å; T239-L242 VanDerWaalsContact O-CB 3.29Å; T239-L242 WeakPolarHBondContact O-CB 3.42Å; T239-L242 WeakPolarHBondContact O-CG 3.14Å; T239-L242 PolarHBondContact O-N 3.45Å; T239-L250 HydrophobicContact CG2-CD2 4.15Å
240E96.9Very high97.9Very high172 Ų17251.1 Ų51.180%0.80431%0.305SS*.THydrogen-bonded Turntrans-57.2130.1178.9-171.6175.8-177.600110.7L242E240-L242 PolarHBondContact O-N 3.48Å
241G97.7Very high98Very high62 Ų6249.8 Ų49.864%0.63930%0.299SS*.THydrogen-bonded Turntrans76.9-7.4-177.600000115T239T239-G241 PolarHBondContact O-N 2.78Å
242L98.1Very high97.9Very high41 Ų4154.8 Ų54.822%0.21533%0.326CS..  trans-75152174.6-58.7-173.7000111V199 Q202 T239 E240 D246 L250V199-L242 HydrophobicContact CG1-CB 4.34Å; V199-L242 WeakPolarHBondContact CG1-O 3.28Å; V199-L242 HydrophobicContact CG2-CB 4.12Å; Q202-L242 PolarHBondContact NE2-O 3.31Å; T239-L242 VanDerWaalsContact O-CB 3.29Å; T239-L242 WeakPolarHBondContact O-CB 3.42Å; T239-L242 WeakPolarHBondContact O-CG 3.14Å; T239-L242 PolarHBondContact O-N 3.45Å; E240-L242 PolarHBondContact O-N 3.48Å; L242-D246 HydrophobicContact CB-CB 4.16Å; L242-D246 HydrophobicContact CD2-CB 4.16Å; L242-L250 HydrophobicContact CD1-CD1 4.33Å; L242-L250 HydrophobicContact CD1-CD2 3.98Å
243T97.6Very high97.9Very high62 Ų6258.2 Ų58.238%0.3834%0.339SS..  trans-116.2168.8-179.969.60000110.9D245 D246T243-D245 PolarHBondContact O-N 2.87Å; T243-D245 VanDerWaalsContact O-N 3.08Å; T243-D245 PolarHBondContact OG1-N 3.36Å; T243-D246 PolarHBondContact N-OD2 3.46Å; T243-D246 WeakPolarHBondContact O-CB 3.35Å; T243-D246 PolarHBondContact O-N 3.33Å; T243-D246 PolarHBondContact OG1-OD2 3.03Å
244P95Very high97.9Very high84 Ų8458.4 Ų58.455%0.54534%0.34SS..G310 helixtrans-53.3-26.5173.4-2937.6000114.6D246 V247P244-D246 VanDerWaalsContact C-N 3.3Å; P244-D246 PolarHBondContact O-N 2.67Å; P244-V247 WeakPolarHBondContact O-CB 3.42Å; P244-V247 PolarHBondContact O-N 3.08Å
245D97.4Very high97.9Very high146 Ų14660.8 Ų60.878%0.78135%0.349SS*.G310 helixtrans-72.5-23.5179.2-66.1-23000112.7T243 P248T243-D245 PolarHBondContact O-N 2.87Å; T243-D245 VanDerWaalsContact O-N 3.08Å; T243-D245 PolarHBondContact OG1-N 3.36Å; D245-P248 WeakPolarHBondContact O-CD 3.38Å
246D98.3Very high97.9Very high59 Ų5963.2 Ų63.232%0.31635%0.353SS..G310 helixtrans-81-17.5177.7-60.7-67.9000113.1L242 T243 P244 P248 A249 L250L242-D246 HydrophobicContact CB-CB 4.16Å; L242-D246 HydrophobicContact CD2-CB 4.16Å; T243-D246 PolarHBondContact N-OD2 3.46Å; T243-D246 WeakPolarHBondContact O-CB 3.35Å; T243-D246 PolarHBondContact O-N 3.33Å; T243-D246 PolarHBondContact OG1-OD2 3.03Å; P244-D246 VanDerWaalsContact C-N 3.3Å; P244-D246 PolarHBondContact O-N 2.67Å; D246-P248 VanDerWaalsContact C-CD 3.46Å; D246-A249 PolarHBondContact O-N 3.35Å; D246-L250 WeakPolarHBondContact O-CB 3.41Å; D246-L250 PolarHBondContact O-N 2.79Å
247V97.6Very high97.9Very high0 Ų063.7 Ų63.70%036%0.358CS..Hα-helixtrans-56.5-42.5-172.7168.60000114R192 F195 V199 P244 L250 A251R192-V247 HydrophobicContact CB-CG1 3.82Å; R192-V247 HydrophobicContact CG-CG1 4.13Å; F195-V247 HydrophobicContact CB-CG1 3.68Å; V199-V247 HydrophobicContact CB-CG2 4.18Å; V199-V247 HydrophobicContact CG1-CG2 4.48Å; V199-V247 HydrophobicContact CG2-CG2 3.88Å; P244-V247 WeakPolarHBondContact O-CB 3.42Å; P244-V247 PolarHBondContact O-N 3.08Å; V247-L250 PolarHBondContact O-N 3.03Å; V247-A251 WeakPolarHBondContact O-CB 3.13Å; V247-A251 PolarHBondContact O-N 3.27Å
248P97.8Very high97.9Very high36 Ų3661.8 Ų61.823%0.23435%0.346CS..Hα-helixtrans-56.2-51.8175.8-25.336000112.3D245 D246 L250 A251 D252D245-P248 WeakPolarHBondContact O-CD 3.38Å; D246-P248 VanDerWaalsContact C-CD 3.46Å; P248-L250 PolarHBondContact O-N 3.17Å; P248-A251 PolarHBondContact O-N 2.86Å; P248-D252 PolarHBondContact O-N 3.48Å; P248-D252 VanDerWaalsContact O-N 3.11Å
249A98.1Very high97.9Very high48 Ų4857.8 Ų57.840%0.39732%0.32SS..Hα-helixtrans-67.2-38-178.500000111.6D246 D252 R253D246-A249 PolarHBondContact O-N 3.35Å; A249-D252 PolarHBondContact O-N 3.4Å; A249-R253 WeakPolarHBondContact O-CB 3.37Å; A249-R253 VanDerWaalsContact O-CG 3.32Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 3.11Å
250L98.5Very high97.9Very high0 Ų061.1 Ų61.10%034%0.34CS..Hα-helixtrans-60.2-47.6174.4177.363.3000111.7F195 V199 I205 V237 T239 L242 D246 V247 P248 D252 R253 V254F195-L250 HydrophobicContact CB-CD2 4.49Å; F195-L250 HydrophobicContact CD1-CD2 4.2Å; F195-L250 HydrophobicContact CD1-CG 3.98Å; V199-L250 HydrophobicContact CG2-CD2 3.82Å; I205-L250 HydrophobicContact CD1-CD2 3.86Å; I205-L250 HydrophobicContact CD1-CG 4.28Å; V237-L250 HydrophobicContact CG1-CD1 3.74Å; T239-L250 HydrophobicContact CG2-CD2 4.15Å; L242-L250 HydrophobicContact CD1-CD1 4.33Å; L242-L250 HydrophobicContact CD1-CD2 3.98Å; D246-L250 WeakPolarHBondContact O-CB 3.41Å; D246-L250 PolarHBondContact O-N 2.79Å; V247-L250 PolarHBondContact O-N 3.03Å; P248-L250 PolarHBondContact O-N 3.17Å; L250-D252 VanDerWaalsContact C-N 3.34Å; L250-D252 PolarHBondContact O-N 3.43Å; L250-R253 PolarHBondContact O-N 3.26Å; L250-V254 HydrophobicContact CD1-CG2 4.13Å; L250-V254 VanDerWaalsContact O-CG2 3.32Å; L250-V254 WeakPolarHBondContact O-CG2 3.37Å; L250-V254 PolarHBondContact O-N 2.98Å
251A98.3Very high97.9Very high2 Ų253.7 Ų53.72%0.01731%0.306CS..Hα-helixtrans-61.6-42.1179.400000112.1F195 V247 P248 R255F195-A251 HydrophobicContact CD1-CB 4.06Å; F195-A251 HydrophobicContact CD2-CB 3.67Å; F195-A251 HydrophobicContact CE1-CB 4.19Å; F195-A251 HydrophobicContact CE2-CB 3.8Å; F195-A251 HydrophobicContact CG-CB 3.82Å; F195-A251 HydrophobicContact CZ-CB 4.08Å; V247-A251 WeakPolarHBondContact O-CB 3.13Å; V247-A251 PolarHBondContact O-N 3.27Å; P248-A251 PolarHBondContact O-N 2.86Å; A251-R255 VanDerWaalsContact O-CB 3.28Å; A251-R255 WeakPolarHBondContact O-CB 3.34Å; A251-R255 PolarHBondContact O-N 2.76Å
252D98.2Very high97.9Very high105 Ų10550.9 Ų50.956%0.56128%0.276SS*.Hα-helixtrans-67.5-43.3178.7-72.3-26.1000112.1P248 A249 L250 R255 H256P248-D252 PolarHBondContact O-N 3.48Å; P248-D252 VanDerWaalsContact O-N 3.11Å; A249-D252 PolarHBondContact O-N 3.4Å; L250-D252 VanDerWaalsContact C-N 3.34Å; L250-D252 PolarHBondContact O-N 3.43Å; D252-R255 PolarHBondContact O-N 3.35Å; D252-H256 WeakPolarHBondContact O-CB 3.33Å; D252-H256 PolarHBondContact O-N 3.4Å
253R98.3Very high97.8Very high136 Ų13656.2 Ų56.251%0.51329%0.294SS..Hα-helixtrans-60.7-48.1175.4-73.9-167.8-51.7-92.64.5112A249 L250 H256 S257A249-R253 WeakPolarHBondContact O-CB 3.37Å; A249-R253 VanDerWaalsContact O-CG 3.32Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 3.11Å; L250-R253 PolarHBondContact O-N 3.26Å; R253-H256 PolarHBondContact O-N 3.32Å; R253-S257 PolarHBondContact O-N 3.43Å
254V98.7Very high97.7Very high4 Ų458 Ų582%0.02430%0.298CS..Hα-helixtrans-63.2-44.9179.3173.20000110.6V101 F190 F195 P207 V237 L250 H256 S257 M258V101-V254 HydrophobicContact CG2-CG1 3.89Å; F190-V254 HydrophobicContact CE2-CG1 4.41Å; F195-V254 HydrophobicContact CE1-CB 3.77Å; F195-V254 HydrophobicContact CE1-CG1 3.96Å; F195-V254 HydrophobicContact CE1-CG2 3.97Å; F195-V254 HydrophobicContact CZ-CB 4.27Å; F195-V254 HydrophobicContact CZ-CG1 4.22Å; P207-V254 HydrophobicContact CB-CG1 4.32Å; P207-V254 HydrophobicContact CG-CG1 4.11Å; V237-V254 HydrophobicContact CB-CG2 4.39Å; V237-V254 HydrophobicContact CG1-CG2 4.28Å; V237-V254 HydrophobicContact CG2-CG2 4.1Å; L250-V254 HydrophobicContact CD1-CG2 4.13Å; L250-V254 VanDerWaalsContact O-CG2 3.32Å; L250-V254 WeakPolarHBondContact O-CG2 3.37Å; L250-V254 PolarHBondContact O-N 2.98Å; V254-H256 VanDerWaalsContact C-N 3.34Å; V254-H256 PolarHBondContact O-N 3.16Å; V254-S257 PolarHBondContact O-N 3.37Å; V254-M258 HydrophobicContact CG1-CG 4.34Å; V254-M258 HydrophobicContact CG1-SD 3.79Å; V254-M258 WeakPolarHBondContact O-CB 3.4Å; V254-M258 VanDerWaalsContact O-CG 3.27Å; V254-M258 WeakPolarHBondContact O-CG 3.44Å; V254-M258 PolarHBondContact O-N 3.47Å
255R98.4Very high97.7Very high59 Ų5954.3 Ų54.322%0.22327%0.273CS..Hα-helixtrans-59.3-44.3175.3-174.5-178.9166.6-83.6-3.8111.9M187 L188 F190 A251 D252 M258 L259M187-R255 PolarHBondContact O-NH2 2.87Å; L188-R255 WeakPolarHBondContact O-CD 3.49Å; L188-R255 PolarHBondContact O-NE 3.26Å; F190-R255 HydrophobicContact CD1-CB 4.47Å; F190-R255 HydrophobicContact CD1-CG 4.11Å; F190-R255 HydrophobicContact CD2-CB 3.56Å; F190-R255 HydrophobicContact CD2-CG 4.09Å; F190-R255 HydrophobicContact CE1-CG 4.08Å; F190-R255 HydrophobicContact CE2-CB 3.64Å; F190-R255 HydrophobicContact CE2-CG 4.06Å; F190-R255 HydrophobicContact CG-CB 4.02Å; F190-R255 HydrophobicContact CG-CG 4.15Å; F190-R255 HydrophobicContact CZ-CB 4.16Å; F190-R255 HydrophobicContact CZ-CG 4.07Å; A251-R255 VanDerWaalsContact O-CB 3.28Å; A251-R255 WeakPolarHBondContact O-CB 3.34Å; A251-R255 PolarHBondContact O-N 2.76Å; D252-R255 PolarHBondContact O-N 3.35Å; R255-M258 PolarHBondContact O-N 2.91Å; R255-L259 VanDerWaalsContact O-CB 3.28Å; R255-L259 WeakPolarHBondContact O-CB 3.43Å; R255-L259 PolarHBondContact O-N 3.2Å
256H98.2Very high97.5Very high126 Ų12648.1 Ų48.158%0.58324%0.241SC*.Hα-helixtrans-62.1-45.6-179.6-175.682.5000111.7D252 R253 V254 L259 T260D252-H256 WeakPolarHBondContact O-CB 3.33Å; D252-H256 PolarHBondContact O-N 3.4Å; R253-H256 PolarHBondContact O-N 3.32Å; V254-H256 VanDerWaalsContact C-N 3.34Å; V254-H256 PolarHBondContact O-N 3.16Å; H256-L259 PolarHBondContact O-N 2.97Å; H256-T260 PolarHBondContact O-N 3.45Å; H256-T260 PolarHBondContact O-OG1 3.37Å
257S98.3Very high96.7Very high58 Ų5849 Ų4941%0.40625%0.249SC..Hα-helixtrans-59.6-48.3174.3178.30000111.6R253 V254 L259 T260 V261R253-S257 PolarHBondContact O-N 3.43Å; V254-S257 PolarHBondContact O-N 3.37Å; S257-L259 PolarHBondContact O-N 3.3Å; S257-T260 PolarHBondContact O-N 2.86Å; S257-V261 PolarHBondContact O-N 2.97Å; S257-V261 VanDerWaalsContact O-N 3.16Å
258M98.6Very high95Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-62.9-40.4178.2-71175.871.300113.1V101 M187 F190 P207 I208 V209 L234 V254 R255 T260 F262V101-M258 HydrophobicContact CG2-SD 3.91Å; M187-M258 HydrophobicContact CE-CB 3.89Å; M187-M258 HydrophobicContact CE-CE 4.46Å; M187-M258 HydrophobicContact SD-CB 3.97Å; M187-M258 HydrophobicContact SD-CE 4.25Å; F190-M258 HydrophobicContact CE2-CE 4.46Å; F190-M258 HydrophobicContact CE2-SD 3.6Å; F190-M258 HydrophobicContact CZ-CE 3.92Å; F190-M258 HydrophobicContact CZ-SD 3.61Å; P207-M258 HydrophobicContact CB-CG 3.66Å; P207-M258 HydrophobicContact CB-SD 3.84Å; I208-M258 WeakPolarHBondContact O-CE 3.33Å; V209-M258 HydrophobicContact CG2-CB 3.83Å; V209-M258 HydrophobicContact CG2-CE 4.35Å; V209-M258 HydrophobicContact CG2-CG 3.89Å; L234-M258 HydrophobicContact CD1-CG 4.4Å; V254-M258 HydrophobicContact CG1-CG 4.34Å; V254-M258 HydrophobicContact CG1-SD 3.79Å; V254-M258 WeakPolarHBondContact O-CB 3.4Å; V254-M258 VanDerWaalsContact O-CG 3.27Å; V254-M258 WeakPolarHBondContact O-CG 3.44Å; V254-M258 PolarHBondContact O-N 3.47Å; R255-M258 PolarHBondContact O-N 2.91Å; M258-T260 VanDerWaalsContact C-N 3.35Å; M258-F262 VanDerWaalsContact O-CB 3.26Å; M258-F262 WeakPolarHBondContact O-CB 3.14Å; M258-F262 PolarHBondContact O-N 2.9Å
259L97.6Very high92.8Very high12 Ų1254.7 Ų54.76%0.06329%0.289CS..Hα-helixtrans-68-36.3179.1179.960.7000111.8M187 R255 H256 S257 F262 R263M187-L259 HydrophobicContact CB-CD1 4.02Å; R255-L259 VanDerWaalsContact O-CB 3.28Å; R255-L259 WeakPolarHBondContact O-CB 3.43Å; R255-L259 PolarHBondContact O-N 3.2Å; H256-L259 PolarHBondContact O-N 2.97Å; S257-L259 PolarHBondContact O-N 3.3Å; L259-F262 PolarHBondContact O-N 2.88Å; L259-R263 HydrophobicContact CD1-CG 4.45Å; L259-R263 WeakPolarHBondContact O-CG 3.43Å; L259-R263 PolarHBondContact O-N 3.32Å
260T97.5Very high90.4Very high71 Ų7159.7 Ų59.744%0.43630%0.298SS..Hα-helixtrans-60.8-52.8175.3-60.30000110.1H256 S257 M258 F262 R263 E264H256-T260 PolarHBondContact O-N 3.45Å; H256-T260 PolarHBondContact O-OG1 3.37Å; S257-T260 PolarHBondContact O-N 2.86Å; M258-T260 VanDerWaalsContact C-N 3.35Å; T260-F262 VanDerWaalsContact C-N 3.32Å; T260-F262 PolarHBondContact O-N 3.26Å; T260-R263 PolarHBondContact O-N 2.72Å; T260-E264 PolarHBondContact O-N 3.05Å; T260-E264 VanDerWaalsContact O-N 3.15Å
261V98Very high87.4Confident16 Ų1663 Ų6310%0.09733%0.332CS..Hα-helixtrans-63.5-38.5176.81770000111.5V209 R232 L234 S257 R263 E264 I265V209-V261 HydrophobicContact CB-CG1 4.22Å; V209-V261 HydrophobicContact CG1-CG1 4.39Å; V209-V261 HydrophobicContact CG2-CB 4.28Å; V209-V261 HydrophobicContact CG2-CG1 4.33Å; R232-V261 HydrophobicContact CB-CG1 3.88Å; R232-V261 HydrophobicContact CG-CG1 3.78Å; L234-V261 HydrophobicContact CD1-CB 4.47Å; L234-V261 HydrophobicContact CD1-CG2 3.98Å; L234-V261 HydrophobicContact CD2-CB 4.47Å; L234-V261 HydrophobicContact CD2-CG1 4.19Å; L234-V261 HydrophobicContact CD2-CG2 3.92Å; S257-V261 PolarHBondContact O-N 2.97Å; S257-V261 VanDerWaalsContact O-N 3.16Å; V261-R263 VanDerWaalsContact C-N 3.29Å; V261-R263 PolarHBondContact O-N 3.45Å; V261-E264 WeakPolarHBondContact O-CB 3.22Å; V261-E264 PolarHBondContact O-N 3.37Å; V261-I265 HydrophobicContact CG1-CD1 4.39Å; V261-I265 HydrophobicContact CG1-CG2 4.13Å; V261-I265 WeakPolarHBondContact O-CG1 2.99Å; V261-I265 PolarHBondContact O-N 3.23Å
262F97.5Very high84.2Confident3 Ų367 Ų671%0.01337%0.373CS..Hα-helixtrans-59-43.3178.3178.9-91.5000111.2G185 M187 V209 M210 M258 L259 T260 S266G185-F262 WeakPolarHBondContact O-CE1 3.44Å; M187-F262 HydrophobicContact CE-CB 3.97Å; M187-F262 HydrophobicContact CE-CD2 4.44Å; M187-F262 HydrophobicContact CE-CG 4.3Å; V209-F262 HydrophobicContact CG1-CB 3.6Å; V209-F262 HydrophobicContact CG1-CD2 4Å; V209-F262 HydrophobicContact CG1-CG 4.31Å; M210-F262 WeakPolarHBondContact O-CD2 3.32Å; M210-F262 WeakPolarHBondContact O-CE2 3.42Å; M258-F262 VanDerWaalsContact O-CB 3.26Å; M258-F262 WeakPolarHBondContact O-CB 3.14Å; M258-F262 PolarHBondContact O-N 2.9Å; L259-F262 PolarHBondContact O-N 2.88Å; T260-F262 VanDerWaalsContact C-N 3.32Å; T260-F262 PolarHBondContact O-N 3.26Å; F262-S266 WeakPolarHBondContact O-CB 3.41Å; F262-S266 PolarHBondContact O-N 3.04Å; F262-S266 VanDerWaalsContact O-N 3.09Å; F262-S266 PolarHBondContact O-OG 3.01Å
263R95.6Very high81Confident154 Ų15464.5 Ų64.558%0.58137%0.372SS*.Hα-helixtrans-64-48.2177.8-73.2170.4176.1175.2-2.7111.1L259 T260 V261 S266 T267L259-R263 HydrophobicContact CD1-CG 4.45Å; L259-R263 WeakPolarHBondContact O-CG 3.43Å; L259-R263 PolarHBondContact O-N 3.32Å; T260-R263 PolarHBondContact O-N 2.72Å; V261-R263 VanDerWaalsContact C-N 3.29Å; V261-R263 PolarHBondContact O-N 3.45Å; R263-S266 PolarHBondContact O-N 3.36Å; R263-T267 WeakPolarHBondContact O-CG2 3.38Å; R263-T267 PolarHBondContact O-N 3.45Å; R263-T267 VanDerWaalsContact O-N 3.08Å; R263-T267 PolarHBondContact O-OG1 3.47Å; R263-T267 VanDerWaalsContact O-OG1 3.09Å
264E95.6Very high78Confident100 Ų10064.9 Ų64.947%0.46738%0.384SS..Hα-helixtrans-53.6-58.6177.1-177.6-169.6159.600111.7T260 V261 S266 T267 D268T260-E264 PolarHBondContact O-N 3.05Å; T260-E264 VanDerWaalsContact O-N 3.15Å; V261-E264 WeakPolarHBondContact O-CB 3.22Å; V261-E264 PolarHBondContact O-N 3.37Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.04Å; E264-T267 PolarHBondContact O-N 3.19Å; E264-T267 PolarHBondContact O-OG1 3.37Å; E264-D268 PolarHBondContact O-N 3.06Å
265I95.6Very high74.9Confident5 Ų575.3 Ų75.33%0.02643%0.425CS..Hα-helixtrans-75.6-13.1-174.271.6-179.8000114.1V209 Q230 R232 V261V209-I265 HydrophobicContact CB-CD1 4.38Å; V209-I265 HydrophobicContact CG1-CD1 3.97Å; Q230-I265 HydrophobicContact CB-CB 4.24Å; Q230-I265 HydrophobicContact CB-CD1 4.27Å; Q230-I265 PolarHBondContact NE2-O 3.45Å; R232-I265 HydrophobicContact CB-CD1 4.4Å; R232-I265 HydrophobicContact CG-CD1 3.76Å; R232-I265 HydrophobicContact CG-CG2 3.71Å; V261-I265 HydrophobicContact CG1-CD1 4.39Å; V261-I265 HydrophobicContact CG1-CG2 4.13Å; V261-I265 WeakPolarHBondContact O-CG1 2.99Å; V261-I265 PolarHBondContact O-N 3.23Å
266S93.4Very high72Confident16 Ų1679.9 Ų79.911%0.11245%0.453CS..Hα-helixtrans-92.2-18.2176.1-56.50000113S212 F262 R263 E264S212-S266 PolarHBondContact N-OG 3.16Å; F262-S266 WeakPolarHBondContact O-CB 3.41Å; F262-S266 PolarHBondContact O-N 3.04Å; F262-S266 VanDerWaalsContact O-N 3.09Å; F262-S266 PolarHBondContact O-OG 3.01Å; R263-S266 PolarHBondContact O-N 3.36Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.04Å
267T81.8Confident68.9Low79 Ų7983.7 Ų83.749%0.48547%0.468SS..Hα-helixtrans-83.7-35.2171.346.70000111.9R263 E264 G269 R270R263-T267 WeakPolarHBondContact O-CG2 3.38Å; R263-T267 PolarHBondContact O-N 3.45Å; R263-T267 VanDerWaalsContact O-N 3.08Å; R263-T267 PolarHBondContact O-OG1 3.47Å; R263-T267 VanDerWaalsContact O-OG1 3.09Å; E264-T267 PolarHBondContact O-N 3.19Å; E264-T267 PolarHBondContact O-OG1 3.37Å; T267-G269 PolarHBondContact O-N 3.08Å; T267-G269 VanDerWaalsContact O-N 3.15Å; T267-R270 WeakPolarHBondContact O-CB 3.34Å; T267-R270 PolarHBondContact O-N 3.5Å
268D61.3Low65.8Low106 Ų10690 Ų9057%0.56749%0.488SS*.THydrogen-bonded Turntrans-63.9-21.3-177.3-70.6-6.7000113.7E264 R270E264-D268 PolarHBondContact O-N 3.06Å; D268-R270 VanDerWaalsContact C-N 3.31Å
269G52Low63.1Low49 Ų4996 Ų9651%0.50553%0.527SS..THydrogen-bonded Turntrans-73.2-20.7172.300000114.1T267 G271T267-G269 PolarHBondContact O-N 3.08Å; T267-G269 VanDerWaalsContact O-N 3.15Å; G269-G271 VanDerWaalsContact C-N 3.34Å; G269-G271 PolarHBondContact O-N 3Å; G269-G271 VanDerWaalsContact O-N 3.13Å
270R47.1Very low60.2Low153 Ų15399.2 Ų99.258%0.57756%0.563SS**SBendtrans-86.575.7175.1-61.7-177.1-176.2176.31.7108.9T267 D268 G272T267-R270 WeakPolarHBondContact O-CB 3.34Å; T267-R270 PolarHBondContact O-N 3.5Å; D268-R270 VanDerWaalsContact C-N 3.31Å; R270-G272 PolarHBondContact O-N 3.05Å
271G35.3Very low57.3Low69 Ų69100 Ų10071%0.71158%0.584SS**  trans-51.9112.5169.200000110.6G269 G273G269-G271 VanDerWaalsContact C-N 3.34Å; G269-G271 PolarHBondContact O-N 3Å; G269-G271 VanDerWaalsContact O-N 3.13Å; G271-G273 PolarHBondContact O-N 3.03Å
272G32Very low54.4Low86 Ų86103 Ų10389%0.88762%0.62SS**SBendtrans50.115.5153.400000119.8R270 D274R270-G272 PolarHBondContact O-N 3.05Å; G272-D274 PolarHBondContact O-N 3.14Å
273G30.9Very low51.6Low52 Ų52110.4 Ų110.454%0.53670%0.696SS.*  trans-90.793.5-177.300000111.4G271 Y275G271-G273 PolarHBondContact O-N 3.03Å; G273-Y275 WeakPolarHBondContact O-CD2 3.45Å; G273-Y275 PolarHBondContact O-N 3.36Å
274D33.8Very low49.4Very low144 Ų144108.2 Ų108.277%0.7770%0.702SS**  trans-39.194.5173.9-160.810.4000114.4G272G272-D274 PolarHBondContact O-N 3.14Å
275Y34.5Very low47Very low223 Ų223108.6 Ų108.688%0.87571%0.714SS**  trans-128.854.4166.6-76.5-78.9000110.2G273G273-Y275 WeakPolarHBondContact O-CD2 3.45Å; G273-Y275 PolarHBondContact O-N 3.36Å
276L37.6Very low44.3Very low156 Ų156114.4 Ų114.482%0.81775%0.752SS**  trans-121.556.2153.9-71.3174.6000109.2K278L276-K278 VanDerWaalsContact C-N 3.27Å; L276-K278 PolarHBondContact O-N 3.24Å
277K32.5Very low41.4Very low205 Ų205120.2 Ų120.289%0.89179%0.79SS**  trans-66.894.3159.9-100.3-177.2176.3177.80107.9
278K34.3Very low38.9Very low191 Ų191122.8 Ų122.883%0.8381%0.809SS**  trans-49.8137.3166.5-79.7-177.6174.2178.90109.2L276 G280L276-K278 VanDerWaalsContact C-N 3.27Å; L276-K278 PolarHBondContact O-N 3.24Å; K278-G280 PolarHBondContact O-N 2.99Å; K278-G280 VanDerWaalsContact O-N 3.11Å
279P41.3Very low37.4Very low127 Ų127123.9 Ų123.983%0.82583%0.825SS**  trans-66.2113.1171.526.6-29.6000108.3G281P279-G281 PolarHBondContact O-N 2.79Å; P279-G281 VanDerWaalsContact O-N 3.17Å
280G37.2Very low36.3Very low79 Ų79129.2 Ų129.281%0.81485%0.848SS**  trans-66.2107.4166.700000108.8K278 G282K278-G280 PolarHBondContact O-N 2.99Å; K278-G280 VanDerWaalsContact O-N 3.11Å; G280-G282 PolarHBondContact O-N 2.92Å
281G36.4Very low35.5Very low86 Ų86127.4 Ų127.489%0.88787%0.869SS**  trans-77.9102158.400000107.4P279P279-G281 PolarHBondContact O-N 2.79Å; P279-G281 VanDerWaalsContact O-N 3.17Å
282G37Very low35.5Very low81 Ų81132.3 Ų132.384%0.83588%0.882SS**  trans-105.1152.4165.400000109.6G280G280-G282 PolarHBondContact O-N 2.92Å
283G38.7Very low35.8Very low157 Ų157136.5 Ų136.5100%1.61988%0.882SS**  trans1110169.700000113.1

Retrieved 283 of 283 residues in 1042.2 ms (Link to these results)

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