A0A087X7U7_POEFO Loading...

Sigma non-opioid intracellular receptor 1

Functions in lipid transport from the endoplasmic reticulum and is involved in a wide array of cellular functions probably through regulation of the biogenesis of lipid microdomains at the plasma membrane. Regulates calcium efflux at the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A087X7U7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.6Low83.9Confident218 Ų218123.5 Ų123.5100%1.07462%0.615SS**  0-38.20-71173.973.200114.5R5M1-R5 PolarHBondContact O-N 3.18Å
2S75.4Confident84.7Confident81 Ų81120.4 Ų120.457%0.56661%0.607SS**Hα-helixtrans-65.3-40.5-179.8-176.10000114.1R5 K6S2-R5 PolarHBondContact O-N 3.38Å; S2-K6 WeakPolarHBondContact O-CG 3.35Å; S2-K6 PolarHBondContact O-N 3.39Å; S2-K6 VanDerWaalsContact O-N 3.07Å
3F79.6Confident85.5Confident166 Ų166121.2 Ų121.273%0.72860%0.604SS**Hα-helixtrans-66.8-48.6-178.5-173.8-101.3000113.3R5 K6 F7F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.25Å; F3-K6 PolarHBondContact O-N 3.36Å; F3-K6 VanDerWaalsContact O-N 3.15Å; F3-F7 WeakPolarHBondContact O-CB 3.49Å; F3-F7 PolarHBondContact O-N 3Å
4A83.1Confident86.1Confident67 Ų67116.8 Ų116.855%0.55459%0.59SS**Hα-helixtrans-59.9-37177.800000112.7S8A4-S8 VanDerWaalsContact O-CB 3.29Å; A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 3.22Å
5R83Confident86.7Confident178 Ų178112.7 Ų112.767%0.67258%0.581SS**Hα-helixtrans-70.3-38.9176.1-166.2177-176.3-172.91.2112.3M1 S2 F3 K9M1-R5 PolarHBondContact O-N 3.18Å; S2-R5 PolarHBondContact O-N 3.38Å; F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.25Å; R5-K9 WeakPolarHBondContact O-CB 3.35Å; R5-K9 VanDerWaalsContact O-CG 3.31Å; R5-K9 WeakPolarHBondContact O-CG 3.49Å; R5-K9 PolarHBondContact O-N 3.01Å
6K86.6Confident87.2Confident145 Ų145110.8 Ų110.863%0.6358%0.576SS**Hα-helixtrans-65.7-43.2173.6-73.5-179-178.4-172.40111.4S2 F3 K9 L10S2-K6 WeakPolarHBondContact O-CG 3.35Å; S2-K6 PolarHBondContact O-N 3.39Å; S2-K6 VanDerWaalsContact O-N 3.07Å; F3-K6 PolarHBondContact O-N 3.36Å; F3-K6 VanDerWaalsContact O-N 3.15Å; K6-K9 PolarHBondContact O-N 2.7Å; K6-L10 PolarHBondContact O-N 3.44Å
7F89.9Confident87.6Confident111 Ų111108.8 Ų108.849%0.48757%0.565SS.*Hα-helixtrans-63.9-44.9177-174.9-107.2000112F3 K9 L10 L11F3-F7 WeakPolarHBondContact O-CB 3.49Å; F3-F7 PolarHBondContact O-N 3Å; F7-K9 PolarHBondContact O-N 3.35Å; F7-L10 PolarHBondContact O-N 2.98Å; F7-L11 HydrophobicContact CD1-CD1 3.81Å; F7-L11 HydrophobicContact CD1-CG 4.4Å; F7-L11 HydrophobicContact CE1-CD1 3.42Å; F7-L11 VanDerWaalsContact CE1-CD1 3.42Å; F7-L11 HydrophobicContact CE1-CG 4.1Å; F7-L11 HydrophobicContact CZ-CD1 3.97Å; F7-L11 HydrophobicContact CZ-CD2 4.4Å; F7-L11 HydrophobicContact CZ-CG 4.23Å; F7-L11 WeakPolarHBondContact O-CG 3.42Å; F7-L11 PolarHBondContact O-N 3.4Å
8S88.4Confident88Confident66 Ų66107.3 Ų107.346%0.46256%0.561SS.*Hα-helixtrans-61.5-42.2174.1173.20000112.4A4 L10 L11 V12A4-S8 VanDerWaalsContact O-CB 3.29Å; A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 3.22Å; S8-L10 PolarHBondContact O-N 3.38Å; S8-L11 PolarHBondContact O-N 3.4Å; S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 3.07Å
9K90.5Very high88.3Confident134 Ų134105.7 Ų105.758%0.58356%0.557SS**Hα-helixtrans-61.9-41.2173.9-76.3-179.8177.6-166.80112.5R5 K6 F7 V12 F13R5-K9 WeakPolarHBondContact O-CB 3.35Å; R5-K9 VanDerWaalsContact O-CG 3.31Å; R5-K9 WeakPolarHBondContact O-CG 3.49Å; R5-K9 PolarHBondContact O-N 3.01Å; K6-K9 PolarHBondContact O-N 2.7Å; F7-K9 PolarHBondContact O-N 3.35Å; K9-V12 PolarHBondContact O-N 3.31Å; K9-F13 VanDerWaalsContact O-CB 3.31Å; K9-F13 WeakPolarHBondContact O-CB 3.31Å; K9-F13 PolarHBondContact O-N 3.08Å
10L93.2Very high88.5Confident97 Ų97104 Ų10451%0.50855%0.55SS.*Hα-helixtrans-64.1-43.8175.9-178.264.4000111.1K6 F7 S8 F13 C14K6-L10 PolarHBondContact O-N 3.44Å; F7-L10 PolarHBondContact O-N 2.98Å; S8-L10 PolarHBondContact O-N 3.38Å; L10-F13 WeakPolarHBondContact O-CB 3.5Å; L10-F13 PolarHBondContact O-N 3.37Å; L10-C14 WeakPolarHBondContact O-CB 3.44Å; L10-C14 PolarHBondContact O-N 2.91Å; L10-C14 PolarHBondContact O-SG 3.43Å
11L94.1Very high88.5Confident95 Ų95102.2 Ų102.250%0.49754%0.544SS..Hα-helixtrans-61-45.2175.7-76.6175.4000112.1F7 S8 F13 C14 A15F7-L11 HydrophobicContact CD1-CD1 3.81Å; F7-L11 HydrophobicContact CD1-CG 4.4Å; F7-L11 HydrophobicContact CE1-CD1 3.42Å; F7-L11 VanDerWaalsContact CE1-CD1 3.42Å; F7-L11 HydrophobicContact CE1-CG 4.1Å; F7-L11 HydrophobicContact CZ-CD1 3.97Å; F7-L11 HydrophobicContact CZ-CD2 4.4Å; F7-L11 HydrophobicContact CZ-CG 4.23Å; F7-L11 WeakPolarHBondContact O-CG 3.42Å; F7-L11 PolarHBondContact O-N 3.4Å; S8-L11 PolarHBondContact O-N 3.4Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 3.22Å; L11-C14 PolarHBondContact O-N 3.26Å; L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.29Å; L11-A15 PolarHBondContact O-N 3.05Å
12V93.6Very high90Very high87 Ų8796.9 Ų96.953%0.52752%0.519SS..Hα-helixtrans-61.8-43.7175.5171.70000110.4S8 K9 A15 V16S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 3.07Å; K9-V12 PolarHBondContact O-N 3.31Å; V12-A15 PolarHBondContact O-N 3.45Å; V12-V16 HydrophobicContact CG1-CG2 4.35Å; V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.31Å; V12-V16 PolarHBondContact O-N 3.24Å
13F94.3Very high90.7Very high130 Ų13098.2 Ų98.257%0.5752%0.519SS*.Hα-helixtrans-61-47.2177.1-179.2-104.7000112.1K9 L10 L11 A15 V16 I17K9-F13 VanDerWaalsContact O-CB 3.31Å; K9-F13 WeakPolarHBondContact O-CB 3.31Å; K9-F13 PolarHBondContact O-N 3.08Å; L10-F13 WeakPolarHBondContact O-CB 3.5Å; L10-F13 PolarHBondContact O-N 3.37Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 3.22Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.45Å; F13-V16 PolarHBondContact O-N 3.36Å; F13-I17 HydrophobicContact CD1-CD1 3.75Å; F13-I17 HydrophobicContact CE1-CD1 3.26Å; F13-I17 HydrophobicContact CE1-CG1 4.36Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.56Å; F13-I17 HydrophobicContact CZ-CG1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 PolarHBondContact O-N 3.23Å
14C94.6Very high91Very high60 Ų6094.7 Ų94.741%0.40551%0.507SS..Hα-helixtrans-61.2-42.4174.8-67.80000111.8L10 L11 I17 V18L10-C14 WeakPolarHBondContact O-CB 3.44Å; L10-C14 PolarHBondContact O-N 2.91Å; L10-C14 PolarHBondContact O-SG 3.43Å; L11-C14 PolarHBondContact O-N 3.26Å; C14-I17 PolarHBondContact O-N 2.99Å; C14-V18 VanDerWaalsContact O-CG2 3.29Å; C14-V18 WeakPolarHBondContact O-CG2 3.3Å; C14-V18 PolarHBondContact O-N 2.88Å
15A94.9Very high91.1Very high55 Ų55100.2 Ų100.246%0.45551%0.514SS..Hα-helixtrans-62.8-42.917700000111.7L11 V12 F13 V18 V19L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.29Å; L11-A15 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 3.45Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.45Å; A15-V18 PolarHBondContact O-N 3.46Å; A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.41Å; A15-V19 PolarHBondContact O-N 3Å
16V94.7Very high91.3Very high82 Ų8299.6 Ų99.650%0.49751%0.513SS..Hα-helixtrans-61.6-45174.8170.30000110.7V12 F13 V18 V19 V20V12-V16 HydrophobicContact CG1-CG2 4.35Å; V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.31Å; V12-V16 PolarHBondContact O-N 3.24Å; F13-V16 PolarHBondContact O-N 3.36Å; V16-V18 VanDerWaalsContact C-N 3.34Å; V16-V18 PolarHBondContact O-N 3.31Å; V16-V19 PolarHBondContact O-N 2.89Å; V16-V20 HydrophobicContact CG1-CG2 4.29Å; V16-V20 WeakPolarHBondContact O-CB 3.28Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.14Å; V16-V20 PolarHBondContact O-N 2.89Å
17I93.6Very high91.3Very high77 Ų7798 Ų9840%0.39550%0.503SS..Hα-helixtrans-58.6-47.5175.4-72.5172000110.8F13 C14 V19 V20 V21F13-I17 HydrophobicContact CD1-CD1 3.75Å; F13-I17 HydrophobicContact CE1-CD1 3.26Å; F13-I17 HydrophobicContact CE1-CG1 4.36Å; F13-I17 HydrophobicContact CE2-CD1 4.26Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.56Å; F13-I17 HydrophobicContact CZ-CG1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 PolarHBondContact O-N 3.23Å; C14-I17 PolarHBondContact O-N 2.99Å; I17-V19 VanDerWaalsContact C-N 3.33Å; I17-V19 PolarHBondContact O-N 2.87Å; I17-V20 PolarHBondContact O-N 3.35Å; I17-V21 HydrophobicContact CG2-CG2 4.25Å; I17-V21 WeakPolarHBondContact O-CB 3.23Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.39Å
18V94.6Very high90.9Very high82 Ų8295.1 Ų95.150%0.49749%0.492SS..Hα-helixtrans-59.6-46.2179.1170.20000110.5C14 A15 V16 V20 V21 L22C14-V18 VanDerWaalsContact O-CG2 3.29Å; C14-V18 WeakPolarHBondContact O-CG2 3.3Å; C14-V18 PolarHBondContact O-N 2.88Å; A15-V18 PolarHBondContact O-N 3.46Å; V16-V18 VanDerWaalsContact C-N 3.34Å; V16-V18 PolarHBondContact O-N 3.31Å; V18-V20 PolarHBondContact O-N 2.95Å; V18-V21 PolarHBondContact O-N 3.33Å; V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.36Å; V18-L22 WeakPolarHBondContact O-CB 3.4Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.33Å; V18-L22 PolarHBondContact O-N 3.48Å
19V94.9Very high90.6Very high78 Ų7896.1 Ų96.147%0.47350%0.504SS..Hα-helixtrans-61.3-45.4177.1171.50000111.3A15 V16 I17 V21 L22 L23A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.41Å; A15-V19 PolarHBondContact O-N 3Å; V16-V19 PolarHBondContact O-N 2.89Å; I17-V19 VanDerWaalsContact C-N 3.33Å; I17-V19 PolarHBondContact O-N 2.87Å; V19-V21 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.26Å; V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.24Å
20V91.2Very high90.3Very high71 Ų7192.9 Ų92.943%0.4350%0.498SS..Hα-helixtrans-60.5-45.4177.2169.40000111V16 I17 V18 L22 L23 L24V16-V20 HydrophobicContact CG1-CG2 4.29Å; V16-V20 WeakPolarHBondContact O-CB 3.28Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.14Å; V16-V20 PolarHBondContact O-N 2.89Å; I17-V20 PolarHBondContact O-N 3.35Å; V18-V20 PolarHBondContact O-N 2.95Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.28Å; V20-L23 PolarHBondContact O-N 3.14Å; V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 2.87Å
21V88.4Confident90Very high67 Ų6791.4 Ų91.441%0.40649%0.487SS..Hα-helixtrans-62.7-41.1177.2170.80000111.2I17 V18 V19 L24 R25I17-V21 HydrophobicContact CG2-CG2 4.25Å; I17-V21 WeakPolarHBondContact O-CB 3.23Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.39Å; V18-V21 PolarHBondContact O-N 3.33Å; V19-V21 PolarHBondContact O-N 3.4Å; V21-L24 PolarHBondContact O-N 3.17Å; V21-R25 WeakPolarHBondContact O-CB 3.27Å; V21-R25 WeakPolarHBondContact O-CG 3.2Å; V21-R25 PolarHBondContact O-N 3.49Å
22L90.8Very high89.8Confident105 Ų10592.7 Ų92.755%0.5550%0.499SS..Hα-helixtrans-65.6-42.1176.8-70.9173.7000111.9V18 V19 V20 R25 Y26V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.36Å; V18-L22 WeakPolarHBondContact O-CB 3.4Å; V18-L22 VanDerWaalsContact O-CG 3.25Å; V18-L22 WeakPolarHBondContact O-CG 3.33Å; V18-L22 PolarHBondContact O-N 3.48Å; V19-L22 PolarHBondContact O-N 3.26Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.28Å; L22-R25 PolarHBondContact O-N 2.88Å; L22-Y26 WeakPolarHBondContact O-CB 3.49Å; L22-Y26 PolarHBondContact O-N 3.43Å
23L90.6Very high89.8Confident109 Ų10992.4 Ų92.457%0.57149%0.489SS*.Hα-helixtrans-64.1-43.2175.6-72173.9000111.7V19 V20 Y26 W27V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.24Å; V20-L23 PolarHBondContact O-N 3.14Å; L23-Y26 PolarHBondContact O-N 2.93Å; L23-W27 WeakPolarHBondContact O-CB 3.36Å; L23-W27 PolarHBondContact O-N 2.82Å
24L85.8Confident89.8Confident93 Ų9388.3 Ų88.349%0.48748%0.475SS..Hα-helixtrans-63.4-42.6175.4-73.3172.3000111.6V20 V21 W27 M28V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 2.87Å; V21-L24 PolarHBondContact O-N 3.17Å; L24-W27 HydrophobicContact CD2-CE3 4.45Å; L24-W27 PolarHBondContact O-N 3.24Å; L24-M28 WeakPolarHBondContact O-CB 3.5Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.2Å; L24-M28 PolarHBondContact O-N 2.83Å
25R84.6Confident89.9Confident182 Ų18285.9 Ų85.969%0.68746%0.457SS*.Hα-helixtrans-61.4-44174.7-79.5-176.9173.8-136.2-2111.9V21 L22 M28 A29V21-R25 WeakPolarHBondContact O-CB 3.27Å; V21-R25 WeakPolarHBondContact O-CG 3.2Å; V21-R25 PolarHBondContact O-N 3.49Å; L22-R25 PolarHBondContact O-N 2.88Å; R25-M28 PolarHBondContact O-N 2.84Å; R25-A29 WeakPolarHBondContact O-CB 3.18Å; R25-A29 PolarHBondContact O-N 3.17Å
26Y87.9Confident89.8Confident166 Ų16684.5 Ų84.565%0.65145%0.445SS*.Hα-helixtrans-64-43.8177.2178.8-100.4000111.8L22 L23 A29 S30L22-Y26 WeakPolarHBondContact O-CB 3.49Å; L22-Y26 PolarHBondContact O-N 3.43Å; L23-Y26 PolarHBondContact O-N 2.93Å; Y26-A29 PolarHBondContact O-N 3.26Å; Y26-S30 WeakPolarHBondContact O-CB 3.47Å; Y26-S30 PolarHBondContact O-N 2.76Å; Y26-S30 PolarHBondContact O-OG 3.38Å
27W87.3Confident89.6Confident110 Ų11081.8 Ų81.842%0.41743%0.427SS..Hα-helixtrans-60.8-48175.6174.565.1000111.8L23 L24 A29 S30 K31 T99L23-W27 WeakPolarHBondContact O-CB 3.36Å; L23-W27 PolarHBondContact O-N 2.82Å; L24-W27 HydrophobicContact CD2-CE3 4.45Å; L24-W27 PolarHBondContact O-N 3.24Å; W27-A29 PolarHBondContact O-N 3.28Å; W27-S30 PolarHBondContact O-N 2.71Å; W27-S30 PolarHBondContact O-OG 3.44Å; W27-K31 HydrophobicContact CZ2-CD 3.92Å; W27-K31 VanDerWaalsContact O-CB 3.24Å; W27-K31 WeakPolarHBondContact O-CB 3.32Å; W27-K31 PolarHBondContact O-N 3.2Å; W27-T99 HydrophobicContact CH2-CG2 3.65Å; W27-T99 HydrophobicContact CZ2-CG2 4.45Å; W27-T99 HydrophobicContact CZ3-CG2 4Å
28M81.8Confident89.7Confident52 Ų5284.2 Ų84.226%0.25644%0.437SS..Hα-helixtrans-60.1-33.3175.9-72.9-63.3-61.500112.9L24 R25 T99L24-M28 WeakPolarHBondContact O-CB 3.5Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.2Å; L24-M28 PolarHBondContact O-N 2.83Å; R25-M28 PolarHBondContact O-N 2.84Å; M28-T99 HydrophobicContact CE-CG2 4.25Å; M28-T99 HydrophobicContact SD-CG2 3.71Å
29A81.8Confident89.7Confident87 Ų8784.4 Ų84.472%0.71943%0.432SS*.Hα-helixtrans-80.4-23.3179.400000114.1R25 Y26 W27R25-A29 WeakPolarHBondContact O-CB 3.18Å; R25-A29 PolarHBondContact O-N 3.17Å; Y26-A29 PolarHBondContact O-N 3.26Å; W27-A29 PolarHBondContact O-N 3.28Å
30S84.4Confident89.8Confident66 Ų6680.9 Ų80.946%0.46241%0.411SS..Hα-helixtrans-107.2-10.4-175.854.90000113.8Y26 W27Y26-S30 WeakPolarHBondContact O-CB 3.47Å; Y26-S30 PolarHBondContact O-N 2.76Å; Y26-S30 PolarHBondContact O-OG 3.38Å; W27-S30 PolarHBondContact O-N 2.71Å; W27-S30 PolarHBondContact O-OG 3.44Å
31K86.2Confident90.1Very high65 Ų6578.1 Ų78.128%0.28340%0.396SS..PPolyproline II helixtrans-67.2143.1178.5176.2169.7-177.7173.90111.3W27 T99W27-K31 HydrophobicContact CZ2-CD 3.92Å; W27-K31 VanDerWaalsContact O-CB 3.24Å; W27-K31 WeakPolarHBondContact O-CB 3.32Å; W27-K31 PolarHBondContact O-N 3.2Å; K31-T99 HydrophobicContact CD-CG2 4.28Å; K31-T99 WeakPolarHBondContact CE-OG1 3.26Å; K31-T99 PolarHBondContact NZ-OG1 3.3Å
32T89.3Confident90.5Very high122 Ų12280.2 Ų80.275%0.74840%0.403SS*.PPolyproline II helixtrans-86.5134.3166.751.40000110.4
33Y93.5Very high90.8Very high82 Ų8275.4 Ų75.432%0.32238%0.377SS..PPolyproline II helixtrans-88.3147.6174.3-64.5-74.4000110.2E100Y33-E100 WeakPolarHBondContact CA-OE2 3.5Å; Y33-E100 HydrophobicContact CD1-CG 3.63Å; Y33-E100 HydrophobicContact CE1-CG 4.3Å
34V95Very high91.1Very high44 Ų4470.2 Ų70.227%0.26735%0.35SS..SBendtrans-70.1-43.4179.1175.40000110.6Y67 H70 E100V34-Y67 HydrophobicContact CG1-CD1 4.16Å; V34-Y67 VanDerWaalsContact O-CE1 3.28Å; V34-Y67 WeakPolarHBondContact O-CE1 3.43Å; V34-H70 HydrophobicContact CG1-CB 4.07Å; V34-E100 PolarHBondContact N-OE1 2.82Å; V34-E100 VanDerWaalsContact N-OE1 3.14Å; V34-E100 PolarHBondContact N-OE2 3.18Å
35F96.1Very high91.7Very high8 Ų871.4 Ų71.44%0.03535%0.351CS..SBendtrans-101.8172.9-178.9-50.5-86.2000110.4V40 Y67 H70 I71 H95 E100 L102 Y171 R173F35-V40 HydrophobicContact CB-CG2 3.93Å; F35-V40 HydrophobicContact CD1-CG2 4.4Å; F35-V40 HydrophobicContact CG-CG2 4.41Å; F35-Y67 HydrophobicContact CD1-CD1 4.13Å; F35-Y67 AromaticContact CD1-CD2 3.66Å; F35-Y67 HydrophobicContact CD1-CD2 3.66Å; F35-Y67 HydrophobicContact CD1-CE1 4.05Å; F35-Y67 AromaticContact CD1-CE2 3.57Å; F35-Y67 HydrophobicContact CD1-CE2 3.57Å; F35-Y67 AromaticContact CD1-CG 3.93Å; F35-Y67 HydrophobicContact CD1-CG 3.93Å; F35-Y67 AromaticContact CD1-CZ 3.76Å; F35-Y67 HydrophobicContact CE1-CD1 4.17Å; F35-Y67 AromaticContact CE1-CD2 3.48Å; F35-Y67 HydrophobicContact CE1-CD2 3.48Å; F35-Y67 VanDerWaalsContact CE1-CD2 3.48Å; F35-Y67 AromaticContact CE1-CE2 3.91Å; F35-Y67 HydrophobicContact CE1-CE2 3.91Å; F35-Y67 AromaticContact CE1-CG 3.62Å; F35-Y67 HydrophobicContact CE1-CG 3.62Å; F35-H70 HydrophobicContact CZ-CB 4.2Å; F35-I71 HydrophobicContact CE1-CD1 4.1Å; F35-I71 HydrophobicContact CZ-CD1 4.03Å; F35-H95 HydrophobicContact CE2-CB 4.07Å; F35-H95 AromaticContact CE2-CD2 3.5Å; F35-H95 AromaticContact CE2-CE1 3.76Å; F35-H95 AromaticContact CE2-CG 3.51Å; F35-H95 AromaticContact CE2-ND1 3.7Å; F35-H95 AromaticContact CE2-NE2 3.7Å; F35-H95 HydrophobicContact CZ-CB 3.98Å; F35-H95 AromaticContact CZ-CG 3.8Å; F35-H95 AromaticContact CZ-ND1 3.9Å; F35-E100 PolarHBondContact N-OE1 2.93Å; F35-L102 HydrophobicContact CD1-CD2 4.39Å; F35-L102 HydrophobicContact CE1-CD2 4.09Å; F35-L102 HydrophobicContact CZ-CD2 4.39Å; F35-Y171 HydrophobicContact CB-CE1 4.35Å; F35-Y171 HydrophobicContact CB-CE2 3.89Å; F35-Y171 AromaticContact CD2-CE2 3.79Å; F35-Y171 HydrophobicContact CD2-CE2 3.79Å; F35-Y171 HydrophobicContact CG-CE2 4.12Å; F35-R173 PolarHBondContact O-NH2 2.73Å
36S93.7Very high92.3Very high27 Ų2768.3 Ų68.319%0.18935%0.345CS..  trans-114.4145.9158.572.30000110.5E38 E39 V40S36-E38 PolarHBondContact O-N 2.98Å; S36-E39 WeakPolarHBondContact CB-OE2 3.48Å; S36-E39 PolarHBondContact O-N 3.08Å; S36-E39 WeakPolarHBondContact OG-CB 3.4Å; S36-E39 WeakPolarHBondContact OG-CG 3.42Å; S36-E39 PolarHBondContact OG-N 3.37Å; S36-E39 PolarHBondContact OG-OE2 2.87Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 2.62Å; S36-V40 VanDerWaalsContact O-N 3.13Å
37N91.1Very high92.7Very high25 Ų2562.2 Ų62.213%0.13432%0.321CS..Hα-helixtrans-57-45.3176.1-80.6-34.8000109.9A41 E121 Y171 R173N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.41Å; N37-A41 PolarHBondContact O-N 3.09Å; N37-E121 PolarHBondContact ND2-OE1 3.29Å; N37-Y171 WeakPolarHBondContact OD1-CD1 3.46Å; N37-Y171 WeakPolarHBondContact OD1-CE1 3.32Å; N37-R173 PolarHBondContact ND2-NH1 3.39Å
38E94.5Very high93.2Very high127 Ų12758.2 Ų58.259%0.59331%0.311SS*.Hα-helixtrans-65-43.4-178.9-64.379.9-176.400112.1S36 A41 M42S36-E38 PolarHBondContact O-N 2.98Å; E38-A41 PolarHBondContact O-N 2.79Å; E38-M42 HydrophobicContact CB-CE 4.36Å; E38-M42 VanDerWaalsContact O-CB 3.25Å; E38-M42 WeakPolarHBondContact O-CB 3.42Å; E38-M42 WeakPolarHBondContact O-CE 3.25Å; E38-M42 WeakPolarHBondContact O-CG 3.49Å; E38-M42 PolarHBondContact O-N 3.11Å
39E94.8Very high93.6Very high86 Ų8658.7 Ų58.740%0.40233%0.33SS..Hα-helixtrans-68.3-39.3-179.4-72.2162.115200112.3S36 M42 L43 Y67S36-E39 WeakPolarHBondContact CB-OE2 3.48Å; S36-E39 PolarHBondContact O-N 3.08Å; S36-E39 WeakPolarHBondContact OG-CB 3.4Å; S36-E39 WeakPolarHBondContact OG-CG 3.42Å; S36-E39 PolarHBondContact OG-N 3.37Å; S36-E39 PolarHBondContact OG-OE2 2.87Å; E39-M42 HydrophobicContact CG-CE 4.28Å; E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.25Å; E39-L43 PolarHBondContact O-N 3.03Å; E39-Y67 PolarHBondContact OE2-OH 2.94Å; E39-Y67 VanDerWaalsContact OE2-OH 3.09Å
40V96.9Very high94.2Very high5 Ų557.7 Ų57.73%0.0331%0.31CS..Hα-helixtrans-64.1-48.4175.8175.20000110F35 S36 L43 A44 L102 V169 Y171F35-V40 HydrophobicContact CB-CG2 3.93Å; F35-V40 HydrophobicContact CD1-CG2 4.4Å; F35-V40 HydrophobicContact CG-CG2 4.41Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 2.62Å; S36-V40 VanDerWaalsContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 3.36Å; V40-A44 WeakPolarHBondContact O-CB 3.27Å; V40-A44 PolarHBondContact O-N 3.48Å; V40-L102 HydrophobicContact CG1-CD1 3.62Å; V40-L102 HydrophobicContact CG2-CD1 4.36Å; V40-V169 HydrophobicContact CG1-CG1 3.91Å; V40-Y171 HydrophobicContact CG2-CD1 4.41Å; V40-Y171 HydrophobicContact CG2-CG 4.32Å
41A97.2Very high94.8Very high13 Ų1358.1 Ų58.111%0.10731%0.308CS..Hα-helixtrans-61.3-46.5178.400000112.1N37 E38 L43 A44 K45 T125 T149N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.41Å; N37-A41 PolarHBondContact O-N 3.09Å; E38-A41 PolarHBondContact O-N 2.79Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.09Å; A41-A44 PolarHBondContact O-N 3.16Å; A41-K45 WeakPolarHBondContact O-CB 3.43Å; A41-K45 PolarHBondContact O-N 3.01Å; A41-T125 WeakPolarHBondContact CA-OG1 3.23Å; A41-T149 HydrophobicContact CB-CG2 4.08Å
42M97.4Very high95.2Very high111 Ų11157.1 Ų57.155%0.54730%0.304SS..Hα-helixtrans-61.5-41.4176.8-76.5-171.2-63.800112E38 E39 K45 Q46E38-M42 HydrophobicContact CB-CE 4.36Å; E38-M42 VanDerWaalsContact O-CB 3.25Å; E38-M42 WeakPolarHBondContact O-CB 3.42Å; E38-M42 WeakPolarHBondContact O-CE 3.25Å; E38-M42 WeakPolarHBondContact O-CG 3.49Å; E38-M42 PolarHBondContact O-N 3.11Å; E39-M42 HydrophobicContact CG-CE 4.28Å; M42-K45 PolarHBondContact O-N 3.13Å; M42-Q46 WeakPolarHBondContact O-CG 2.96Å; M42-Q46 PolarHBondContact O-N 3.37Å
43L97.1Very high95.5Very high3 Ų357.9 Ų57.92%0.01630%0.299CS..Hα-helixtrans-63.8-48.5177.817762.8000111.5E39 V40 A41 K45 Q46 Y47 E62 L63E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.25Å; E39-L43 PolarHBondContact O-N 3.03Å; V40-L43 PolarHBondContact O-N 3.36Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.09Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 3.17Å; L43-Q46 WeakPolarHBondContact O-CB 3.35Å; L43-Q46 PolarHBondContact O-N 2.79Å; L43-Y47 HydrophobicContact CD1-CE2 3.8Å; L43-Y47 VanDerWaalsContact O-CD2 3.27Å; L43-Y47 WeakPolarHBondContact O-CD2 3.04Å; L43-E62 HydrophobicContact CD1-CB 3.68Å; L43-E62 HydrophobicContact CD1-CG 4.12Å; L43-E62 HydrophobicContact CD2-CB 4.1Å; L43-L63 HydrophobicContact CD2-CD2 3.63Å; L43-L63 HydrophobicContact CD2-CG 3.64Å
44A97Very high95.7Very high1 Ų159.5 Ų59.51%0.00831%0.309CS..Hα-helixtrans-61.9-43.517800000111.3V40 A41 Q46 Y47 A48 T125 I127 V169V40-A44 WeakPolarHBondContact O-CB 3.27Å; V40-A44 PolarHBondContact O-N 3.48Å; A41-A44 PolarHBondContact O-N 3.16Å; A44-Q46 VanDerWaalsContact C-N 3.26Å; A44-Q46 PolarHBondContact O-N 2.6Å; A44-Y47 PolarHBondContact O-N 3.47Å; A44-A48 PolarHBondContact O-N 2.9Å; A44-T125 HydrophobicContact CB-CG2 3.6Å; A44-I127 HydrophobicContact CB-CD1 4.09Å; A44-I127 WeakPolarHBondContact O-CD1 3.49Å; A44-V169 HydrophobicContact CB-CB 3.83Å; A44-V169 HydrophobicContact CB-CG1 4.48Å; A44-V169 HydrophobicContact CB-CG2 3.72Å
45K97.6Very high95.8Very high117 Ų11757.4 Ų57.451%0.50930%0.296SS..Hα-helixtrans-59.5-31.7178.7-175.5169.7-172135.70113.6A41 M42 L43 Y47 A48 T125 G147A41-K45 WeakPolarHBondContact O-CB 3.43Å; A41-K45 PolarHBondContact O-N 3.01Å; M42-K45 PolarHBondContact O-N 3.13Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 3.17Å; K45-Y47 PolarHBondContact O-N 3.4Å; K45-A48 WeakPolarHBondContact O-CB 3.29Å; K45-A48 PolarHBondContact O-N 3.04Å; K45-T125 HydrophobicContact CB-CG2 4.38Å; K45-G147 WeakPolarHBondContact CD-O 3.26Å; K45-G147 VanDerWaalsContact CE-O 3.26Å; K45-G147 WeakPolarHBondContact CE-O 3.46Å; K45-G147 PolarHBondContact NZ-O 2.86Å
46Q97.3Very high95.9Very high117 Ų11757.6 Ų57.655%0.54730%0.297SS..Hα-helixtrans-60.8-26.3175.4-75172-4.700113.2M42 L43 A44M42-Q46 WeakPolarHBondContact O-CG 2.96Å; M42-Q46 PolarHBondContact O-N 3.37Å; L43-Q46 WeakPolarHBondContact O-CB 3.35Å; L43-Q46 PolarHBondContact O-N 2.79Å; A44-Q46 VanDerWaalsContact C-N 3.26Å; A44-Q46 PolarHBondContact O-N 2.6Å
47Y97.2Very high96.1Very high38 Ų3859.9 Ų59.915%0.14931%0.314CS..THydrogen-bonded Turntrans-108.53-177.9-56.4-68.1000113.4L43 A44 K45 Q50 K58 V59L43-Y47 HydrophobicContact CD1-CE2 3.8Å; L43-Y47 VanDerWaalsContact O-CD2 3.27Å; L43-Y47 WeakPolarHBondContact O-CD2 3.04Å; A44-Y47 PolarHBondContact O-N 3.47Å; K45-Y47 PolarHBondContact O-N 3.4Å; Y47-Q50 WeakPolarHBondContact O-CB 3.43Å; Y47-Q50 PolarHBondContact O-N 3.01Å; Y47-K58 HydrophobicContact CD1-CB 3.97Å; Y47-K58 HydrophobicContact CD1-CD 3.63Å; Y47-K58 HydrophobicContact CD1-CG 4.47Å; Y47-K58 HydrophobicContact CD2-CB 4.41Å; Y47-K58 HydrophobicContact CE1-CB 3.65Å; Y47-K58 HydrophobicContact CE1-CD 3.46Å; Y47-K58 VanDerWaalsContact CE1-CD 3.46Å; Y47-K58 HydrophobicContact CE1-CG 4.15Å; Y47-K58 HydrophobicContact CE2-CB 4.08Å; Y47-K58 HydrophobicContact CG-CB 4.34Å; Y47-V59 HydrophobicContact CD2-CG2 3.58Å; Y47-V59 HydrophobicContact CE2-CG2 4.23Å; Y47-V59 HydrophobicContact CG-CG2 4.39Å
48A96.6Very high96.4Very high26 Ų2662.6 Ų62.622%0.21532%0.324CS..THydrogen-bonded Turntrans-62.6143.217700000112A44 K45 Q50 P146 G147A44-A48 PolarHBondContact O-N 2.9Å; K45-A48 WeakPolarHBondContact O-CB 3.29Å; K45-A48 PolarHBondContact O-N 3.04Å; A48-Q50 PolarHBondContact O-N 2.97Å; A48-P146 HydrophobicContact CB-CB 4.24Å; A48-G147 VanDerWaalsContact CB-N 3.34Å
49G91.6Very high96.5Very high63 Ų6356.6 Ų56.665%0.64930%0.296SS*.THydrogen-bonded Turntrans79.7-3.8-177.700000114.9I127G49-I127 PolarHBondContact N-O 2.88Å
50Q93.4Very high96.7Very high66 Ų6653 Ų5331%0.30828%0.28SS..SBendtrans-81171.1167.8-61.4178.93600110.4Y47 A48 H52 A55Y47-Q50 WeakPolarHBondContact O-CB 3.43Å; Y47-Q50 PolarHBondContact O-N 3.01Å; A48-Q50 PolarHBondContact O-N 2.97Å; Q50-H52 PolarHBondContact O-N 2.77Å; Q50-A55 HydrophobicContact CB-CB 4.41Å
51D96.7Very high96.7Very high75 Ų7556.7 Ų56.740%0.40130%0.303SS..  trans-58.3130.5165174.3-106.7000110.2E53 Q54 A55D51-E53 VanDerWaalsContact C-N 3.35Å; D51-E53 PolarHBondContact O-N 2.81Å; D51-E53 WeakPolarHBondContact OD1-CB 3.43Å; D51-E53 PolarHBondContact OD1-N 3.09Å; D51-Q54 HydrophobicContact CB-CG 4.39Å; D51-Q54 PolarHBondContact O-N 3.23Å; D51-Q54 PolarHBondContact OD1-N 2.81Å; D51-A55 WeakPolarHBondContact O-CB 3.46Å; D51-A55 PolarHBondContact O-N 3.37Å
52H95.5Very high96.7Very high44 Ų4458.2 Ų58.220%0.20431%0.307CS..Hα-helixtrans-61-36.6-172.563.9-61.6000113.6Q50 A55 F56 I127 W167Q50-H52 PolarHBondContact O-N 2.77Å; H52-A55 PolarHBondContact O-N 2.94Å; H52-F56 HydrophobicContact CB-CE2 4.43Å; H52-F56 VanDerWaalsContact O-CB 3.29Å; H52-F56 WeakPolarHBondContact O-CB 3.47Å; H52-F56 VanDerWaalsContact O-CD2 3.28Å; H52-F56 WeakPolarHBondContact O-CD2 3.26Å; H52-F56 WeakPolarHBondContact O-CG 3.48Å; H52-F56 PolarHBondContact O-N 3.32Å; H52-I127 HydrophobicContact CB-CG2 4.43Å; H52-W167 HydrophobicContact CB-CB 3.93Å; H52-W167 HydrophobicContact CB-CG 3.89Å; H52-W167 AromaticContact CD2-CD1 3.33Å; H52-W167 AromaticContact CD2-CD2 3.62Å; H52-W167 AromaticContact CD2-CE2 3.39Å; H52-W167 AromaticContact CD2-CG 3.6Å; H52-W167 AromaticContact CD2-NE1 3.18Å; H52-W167 PolarHBondContact CD2-NE1 2.61Å; H52-W167 AromaticContact CE1-NE1 3.91Å; H52-W167 AromaticContact CG-CD1 3.48Å; H52-W167 VanDerWaalsContact CG-CD1 3.48Å; H52-W167 AromaticContact CG-CG 3.9Å; H52-W167 AromaticContact CG-NE1 3.74Å; H52-W167 AromaticContact NE2-CD1 3.89Å; H52-W167 AromaticContact NE2-CE2 3.59Å; H52-W167 AromaticContact NE2-CZ2 3.92Å; H52-W167 AromaticContact NE2-NE1 3.3Å; H52-W167 PolarHBondContact NE2-NE1 2.93Å
53E95.9Very high96.8Very high138 Ų13853 Ų5365%0.64528%0.281SS*.Hα-helixtrans-65.2-44.9177.7-61.7-169.9167.400110.9D51 S57D51-E53 VanDerWaalsContact C-N 3.35Å; D51-E53 PolarHBondContact O-N 2.81Å; D51-E53 WeakPolarHBondContact OD1-CB 3.43Å; D51-E53 PolarHBondContact OD1-N 3.09Å; E53-S57 PolarHBondContact O-N 2.78Å
54Q97.2Very high96.8Very high115 Ų11555.9 Ų55.954%0.53729%0.292SS..Hα-helixtrans-65.9-41.4176.5-63.1-178.818.900112D51 K58D51-Q54 HydrophobicContact CB-CG 4.39Å; D51-Q54 PolarHBondContact O-N 3.23Å; D51-Q54 PolarHBondContact OD1-N 2.81Å; Q54-K58 WeakPolarHBondContact O-CG 3.49Å; Q54-K58 PolarHBondContact O-N 3.38Å
55A97.7Very high96.8Very high0 Ų063.2 Ų63.20%032%0.324CS..Hα-helixtrans-61.8-48.6177.300000111.1Q50 D51 H52 S57 K58 V59 I127Q50-A55 HydrophobicContact CB-CB 4.41Å; D51-A55 WeakPolarHBondContact O-CB 3.46Å; D51-A55 PolarHBondContact O-N 3.37Å; H52-A55 PolarHBondContact O-N 2.94Å; A55-S57 PolarHBondContact O-N 3.09Å; A55-K58 PolarHBondContact O-N 3.05Å; A55-V59 WeakPolarHBondContact O-CG2 3.49Å; A55-V59 PolarHBondContact O-N 2.98Å; A55-I127 HydrophobicContact CB-CG2 3.54Å
56F98Very high96.7Very high12 Ų1262.6 Ų62.65%0.05332%0.319CS..Hα-helixtrans-60.5-44.3178-72.1-24.2000112.7H52 K58 V59 V60 W79 L104 I127 W167 V169H52-F56 HydrophobicContact CB-CE2 4.43Å; H52-F56 VanDerWaalsContact O-CB 3.29Å; H52-F56 WeakPolarHBondContact O-CB 3.47Å; H52-F56 VanDerWaalsContact O-CD2 3.28Å; H52-F56 WeakPolarHBondContact O-CD2 3.26Å; H52-F56 WeakPolarHBondContact O-CG 3.48Å; H52-F56 PolarHBondContact O-N 3.32Å; F56-K58 VanDerWaalsContact C-N 3.32Å; F56-K58 PolarHBondContact O-N 2.9Å; F56-V59 PolarHBondContact O-N 2.9Å; F56-V60 VanDerWaalsContact O-CG2 3.3Å; F56-V60 WeakPolarHBondContact O-CG2 3.46Å; F56-V60 PolarHBondContact O-N 3.36Å; F56-W79 HydrophobicContact CD2-CH2 4.16Å; F56-W79 AromaticContact CD2-CZ2 3.97Å; F56-W79 HydrophobicContact CD2-CZ2 3.97Å; F56-W79 AromaticContact CE2-CH2 3.64Å; F56-W79 HydrophobicContact CE2-CH2 3.64Å; F56-W79 AromaticContact CE2-CZ2 3.9Å; F56-W79 HydrophobicContact CE2-CZ2 3.9Å; F56-W79 HydrophobicContact CZ-CH2 4.32Å; F56-L104 HydrophobicContact CB-CD1 3.73Å; F56-L104 HydrophobicContact CD1-CB 4.36Å; F56-L104 HydrophobicContact CD1-CD1 3.92Å; F56-L104 HydrophobicContact CD1-CD2 3.6Å; F56-L104 HydrophobicContact CD1-CG 4.16Å; F56-L104 HydrophobicContact CD2-CD1 4.01Å; F56-L104 HydrophobicContact CE1-CB 4.06Å; F56-L104 HydrophobicContact CE1-CD1 4.45Å; F56-L104 HydrophobicContact CE1-CD2 3.79Å; F56-L104 HydrophobicContact CE1-CG 4.31Å; F56-L104 HydrophobicContact CE2-CB 4.29Å; F56-L104 HydrophobicContact CG-CD1 3.64Å; F56-L104 HydrophobicContact CG-CD2 4.23Å; F56-L104 HydrophobicContact CG-CG 4.36Å; F56-L104 HydrophobicContact CZ-CB 3.99Å; F56-I127 HydrophobicContact CE1-CG1 4.06Å; F56-W167 HydrophobicContact CE2-CB 4.17Å; F56-W167 HydrophobicContact CE2-CD2 4.19Å; F56-W167 AromaticContact CE2-CE3 3.77Å; F56-W167 HydrophobicContact CE2-CE3 3.77Å; F56-W167 HydrophobicContact CE2-CG 4.39Å; F56-W167 HydrophobicContact CZ-CB 3.73Å; F56-W167 HydrophobicContact CZ-CD2 4.47Å; F56-W167 HydrophobicContact CZ-CE3 4.06Å; F56-W167 HydrophobicContact CZ-CG 4.4Å; F56-V169 HydrophobicContact CE1-CG2 4.46Å
57S97.2Very high96.7Very high76 Ų7658.5 Ų58.553%0.53130%0.298SS..Hα-helixtrans-56.9-45.5175.5-177.80000111.9E53 A55 V60 V61E53-S57 PolarHBondContact O-N 2.78Å; A55-S57 PolarHBondContact O-N 3.09Å; S57-V60 PolarHBondContact O-N 2.98Å; S57-V61 VanDerWaalsContact O-CG2 3.31Å; S57-V61 WeakPolarHBondContact O-CG2 3.45Å; S57-V61 PolarHBondContact O-N 2.84Å; S57-V61 VanDerWaalsContact O-N 3.07Å
58K97.6Very high96.6Very high81 Ų8161.2 Ų61.235%0.35232%0.32SS..Hα-helixtrans-67-41.3178.2-66.8173.7-168.5171.50112.6Y47 Q54 A55 F56 V61 E62Y47-K58 HydrophobicContact CD1-CB 3.97Å; Y47-K58 HydrophobicContact CD1-CD 3.63Å; Y47-K58 HydrophobicContact CD1-CG 4.47Å; Y47-K58 HydrophobicContact CD2-CB 4.41Å; Y47-K58 HydrophobicContact CE1-CB 3.65Å; Y47-K58 HydrophobicContact CE1-CD 3.46Å; Y47-K58 VanDerWaalsContact CE1-CD 3.46Å; Y47-K58 HydrophobicContact CE1-CG 4.15Å; Y47-K58 HydrophobicContact CE2-CB 4.08Å; Y47-K58 HydrophobicContact CG-CB 4.34Å; Q54-K58 WeakPolarHBondContact O-CG 3.49Å; Q54-K58 PolarHBondContact O-N 3.38Å; A55-K58 PolarHBondContact O-N 3.05Å; F56-K58 VanDerWaalsContact C-N 3.32Å; F56-K58 PolarHBondContact O-N 2.9Å; K58-V61 PolarHBondContact O-N 2.87Å; K58-E62 WeakPolarHBondContact O-CB 3.43Å; K58-E62 PolarHBondContact O-N 2.97Å
59V97.7Very high96.6Very high1 Ų161.7 Ų61.71%0.00633%0.328CS..Hα-helixtrans-58.7-49.3175.5167.30000110.3Y47 A55 F56 V61 E62 L63 V169Y47-V59 HydrophobicContact CD2-CG2 3.58Å; Y47-V59 HydrophobicContact CE2-CG2 4.23Å; Y47-V59 HydrophobicContact CG-CG2 4.39Å; A55-V59 WeakPolarHBondContact O-CG2 3.49Å; A55-V59 PolarHBondContact O-N 2.98Å; F56-V59 PolarHBondContact O-N 2.9Å; V59-V61 PolarHBondContact O-N 2.8Å; V59-E62 PolarHBondContact O-N 3.02Å; V59-L63 HydrophobicContact CG1-CD1 3.6Å; V59-L63 HydrophobicContact CG1-CG 4.22Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 2.91Å; V59-V169 HydrophobicContact CG1-CG2 4.12Å; V59-V169 HydrophobicContact CG2-CG2 4.48Å
60V97.7Very high96.8Very high11 Ų1159.5 Ų59.57%0.06730%0.301CS..Hα-helixtrans-61.3-43.5180172.50000111.5F56 S57 L63 R64 L77 L94 L104F56-V60 VanDerWaalsContact O-CG2 3.3Å; F56-V60 WeakPolarHBondContact O-CG2 3.46Å; F56-V60 PolarHBondContact O-N 3.36Å; S57-V60 PolarHBondContact O-N 2.98Å; V60-L63 PolarHBondContact O-N 2.81Å; V60-R64 WeakPolarHBondContact O-CB 3.29Å; V60-R64 WeakPolarHBondContact O-CG 3.4Å; V60-R64 PolarHBondContact O-N 2.99Å; V60-L77 HydrophobicContact CG1-CD1 4.37Å; V60-L94 HydrophobicContact CG2-CD1 3.94Å; V60-L94 HydrophobicContact CG2-CD2 3.78Å; V60-L104 HydrophobicContact CG2-CD1 4.3Å
61V97.8Very high97.1Very high83 Ų8356.9 Ų56.950%0.50329%0.289SS..Hα-helixtrans-61.4-47177.4168.50000111.6S57 K58 V59 R64 K65S57-V61 VanDerWaalsContact O-CG2 3.31Å; S57-V61 WeakPolarHBondContact O-CG2 3.45Å; S57-V61 PolarHBondContact O-N 2.84Å; S57-V61 VanDerWaalsContact O-N 3.07Å; K58-V61 PolarHBondContact O-N 2.87Å; V59-V61 PolarHBondContact O-N 2.8Å; V61-R64 PolarHBondContact O-N 2.79Å; V61-K65 WeakPolarHBondContact O-CB 3.37Å; V61-K65 PolarHBondContact O-N 3.11Å; V61-K65 VanDerWaalsContact O-N 3.08Å
62E97.6Very high97.2Very high44 Ų4453.4 Ų53.421%0.20627%0.27CS..Hα-helixtrans-67.5-39.3179.4-79-66.5127.500112.4L43 K58 V59 K65 R66L43-E62 HydrophobicContact CD1-CB 3.68Å; L43-E62 HydrophobicContact CD1-CG 4.12Å; L43-E62 HydrophobicContact CD2-CB 4.1Å; K58-E62 WeakPolarHBondContact O-CB 3.43Å; K58-E62 PolarHBondContact O-N 2.97Å; V59-E62 PolarHBondContact O-N 3.02Å; E62-K65 PolarHBondContact O-N 3.27Å; E62-R66 VanDerWaalsContact O-CG 3.31Å; E62-R66 WeakPolarHBondContact O-CG 3.41Å; E62-R66 PolarHBondContact O-N 2.59Å; E62-R66 IonicContact OE2-CZ 3.7Å; E62-R66 IonicContact OE2-NE 3.94Å; E62-R66 PolarHBondContact OE2-NE 2.89Å; E62-R66 IonicContact OE2-NH2 3.05Å; E62-R66 PolarHBondContact OE2-NH2 2.93Å
63L97.4Very high97.2Very high1 Ų153.5 Ų53.51%0.00528%0.275CS..Hα-helixtrans-61.3-46.6174.7-74.7168.5000111.4L43 V59 V60 K65 R66 Y67 I71 L94 L102L43-L63 HydrophobicContact CD2-CD2 3.63Å; L43-L63 HydrophobicContact CD2-CG 3.64Å; V59-L63 HydrophobicContact CG1-CD1 3.6Å; V59-L63 HydrophobicContact CG1-CG 4.22Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 2.91Å; V60-L63 PolarHBondContact O-N 2.81Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 3.46Å; L63-R66 PolarHBondContact O-N 2.76Å; L63-Y67 HydrophobicContact CD2-CD2 4.11Å; L63-Y67 HydrophobicContact CD2-CE2 4.03Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.9Å; L63-I71 HydrophobicContact CB-CD1 3.98Å; L63-I71 HydrophobicContact CB-CG1 4.01Å; L63-L94 HydrophobicContact CD1-CD1 3.81Å; L63-L102 HydrophobicContact CD1-CD2 3.52Å; L63-L102 HydrophobicContact CD1-CG 4.48Å; L63-L102 HydrophobicContact CD2-CD2 3.81Å; L63-L102 HydrophobicContact CG-CD2 4.27Å
64R97.3Very high97.2Very high65 Ų6552.2 Ų52.225%0.24527%0.272CS..Hα-helixtrans-60.6-37.5176.8-80176.6178.8155.93.8112.7V60 V61 P68 I71 L72 D74V60-R64 WeakPolarHBondContact O-CB 3.29Å; V60-R64 WeakPolarHBondContact O-CG 3.4Å; V60-R64 PolarHBondContact O-N 2.99Å; V61-R64 PolarHBondContact O-N 2.79Å; R64-P68 WeakPolarHBondContact O-CA 3.3Å; R64-I71 HydrophobicContact CG-CB 3.69Å; R64-I71 HydrophobicContact CG-CG1 4.11Å; R64-I71 HydrophobicContact CG-CG2 3.79Å; R64-L72 PolarHBondContact NH2-O 2.76Å; R64-D74 IonicContact CZ-OD1 3.01Å; R64-D74 IonicContact NH1-OD1 3.65Å; R64-D74 PolarHBondContact NH1-OD1 2.9Å; R64-D74 IonicContact NH1-OD2 3.63Å; R64-D74 PolarHBondContact NH1-OD2 2.73Å; R64-D74 IonicContact NH2-OD1 3.39Å; R64-D74 PolarHBondContact NH2-OD1 2.68Å
65K97.1Very high97.2Very high154 Ų15454.7 Ų54.767%0.6728%0.284SS*.Hα-helixtrans-68.4-39.7177.8-177.5-178.9173.5-172.20112V61 E62 L63V61-K65 WeakPolarHBondContact O-CB 3.37Å; V61-K65 PolarHBondContact O-N 3.11Å; V61-K65 VanDerWaalsContact O-N 3.08Å; E62-K65 PolarHBondContact O-N 3.27Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 3.46Å
66R96.4Very high97.2Very high105 Ų10556.3 Ų56.340%0.39629%0.293SS..Hα-helixtrans-80.6-32.9-178.1-68.2177-162.8-1725.4113E62 L63 P68E62-R66 VanDerWaalsContact O-CG 3.31Å; E62-R66 WeakPolarHBondContact O-CG 3.41Å; E62-R66 PolarHBondContact O-N 2.59Å; E62-R66 IonicContact OE2-CZ 3.7Å; E62-R66 IonicContact OE2-NE 3.94Å; E62-R66 PolarHBondContact OE2-NE 2.89Å; E62-R66 IonicContact OE2-NH2 3.05Å; E62-R66 PolarHBondContact OE2-NH2 2.93Å; L63-R66 PolarHBondContact O-N 2.76Å; R66-P68 VanDerWaalsContact C-CD 3.5Å; R66-P68 WeakPolarHBondContact O-CD 3.45Å
67Y96.3Very high97.1Very high30 Ų3058 Ų5812%0.11830%0.302CS..SBendtrans-127.968-176.7-48.8-78.9000111V34 F35 E39 L63 G69 H70V34-Y67 HydrophobicContact CG1-CD1 4.16Å; V34-Y67 VanDerWaalsContact O-CE1 3.28Å; V34-Y67 WeakPolarHBondContact O-CE1 3.43Å; F35-Y67 HydrophobicContact CD1-CD1 4.13Å; F35-Y67 AromaticContact CD1-CD2 3.66Å; F35-Y67 HydrophobicContact CD1-CD2 3.66Å; F35-Y67 HydrophobicContact CD1-CE1 4.05Å; F35-Y67 AromaticContact CD1-CE2 3.57Å; F35-Y67 HydrophobicContact CD1-CE2 3.57Å; F35-Y67 AromaticContact CD1-CG 3.93Å; F35-Y67 HydrophobicContact CD1-CG 3.93Å; F35-Y67 AromaticContact CD1-CZ 3.76Å; F35-Y67 HydrophobicContact CE1-CD1 4.17Å; F35-Y67 AromaticContact CE1-CD2 3.48Å; F35-Y67 HydrophobicContact CE1-CD2 3.48Å; F35-Y67 VanDerWaalsContact CE1-CD2 3.48Å; F35-Y67 AromaticContact CE1-CE2 3.91Å; F35-Y67 HydrophobicContact CE1-CE2 3.91Å; F35-Y67 AromaticContact CE1-CG 3.62Å; F35-Y67 HydrophobicContact CE1-CG 3.62Å; E39-Y67 PolarHBondContact OE2-OH 2.94Å; E39-Y67 VanDerWaalsContact OE2-OH 3.09Å; L63-Y67 HydrophobicContact CD2-CD2 4.11Å; L63-Y67 HydrophobicContact CD2-CE2 4.03Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.9Å; Y67-G69 PolarHBondContact O-N 2.88Å; Y67-H70 PolarHBondContact O-N 3.3Å
68P95.8Very high97.2Very high95 Ų9556.6 Ų56.662%0.61729%0.287SS*.THydrogen-bonded Turntrans-58133.3179.9-21.433.5000111.2R64 R66 H70R64-P68 WeakPolarHBondContact O-CA 3.3Å; R66-P68 VanDerWaalsContact C-CD 3.5Å; R66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-H70 VanDerWaalsContact C-N 3.29Å; P68-H70 PolarHBondContact O-N 3.14Å
69G95.8Very high97.2Very high37 Ų3758.1 Ų58.138%0.38129%0.291SS..THydrogen-bonded Turntrans82.7-4.3179.400000115.5Y67 L210 T214Y67-G69 PolarHBondContact O-N 2.88Å; G69-L210 WeakPolarHBondContact O-CD1 3.31Å; G69-L210 WeakPolarHBondContact O-CG 3.43Å; G69-T214 PolarHBondContact O-OG1 3.31Å
70H97.8Very high97.3Very high17 Ų1758.3 Ų58.38%0.07929%0.292CS..SBendtrans-105.4-3.6-179.7-66.6-70.2000114.9V34 F35 Y67 P68 H95 E211 E218V34-H70 HydrophobicContact CG1-CB 4.07Å; F35-H70 HydrophobicContact CZ-CB 4.2Å; Y67-H70 PolarHBondContact O-N 3.3Å; P68-H70 VanDerWaalsContact C-N 3.29Å; P68-H70 PolarHBondContact O-N 3.14Å; H70-H95 VanDerWaalsContact O-CB 3.3Å; H70-H95 WeakPolarHBondContact O-CB 3.35Å; H70-H95 PolarHBondContact O-ND1 2.88Å; H70-E211 VanDerWaalsContact CA-OE1 3.29Å; H70-E211 WeakPolarHBondContact CA-OE1 3.31Å; H70-E211 IonicContact CE1-OE2 3.4Å; H70-E211 IonicContact CG-OE1 3.77Å; H70-E211 IonicContact ND1-OE1 3.53Å; H70-E211 PolarHBondContact ND1-OE1 3.47Å; H70-E211 IonicContact ND1-OE2 2.7Å; H70-E211 PolarHBondContact ND1-OE2 3.12Å; H70-E218 IonicContact NE2-OE1 3.51Å
71I98.3Very high97.3Very high11 Ų1163 Ų636%0.05631%0.311CS..SBendtrans-115.3131.3179.5-52.9-61.5000108.9F35 L63 R64 L94 H95 L102F35-I71 HydrophobicContact CE1-CD1 4.1Å; F35-I71 HydrophobicContact CZ-CD1 4.03Å; L63-I71 HydrophobicContact CB-CD1 3.98Å; L63-I71 HydrophobicContact CB-CG1 4.01Å; R64-I71 HydrophobicContact CG-CB 3.69Å; R64-I71 HydrophobicContact CG-CG1 4.11Å; R64-I71 HydrophobicContact CG-CG2 3.79Å; I71-L94 CarbonylContact C-O 3.56Å; I71-L94 WeakPolarHBondContact CA-O 3.44Å; I71-L94 HydrophobicContact CG2-CB 4.28Å; I71-H95 HydrophobicContact CD1-CB 4.32Å; I71-L102 HydrophobicContact CD1-CD2 4.3Å
72L98.3Very high97.3Very high1 Ų159.6 Ų59.61%0.00529%0.291CS..  trans-52.1142177.8-78.9174.7000111.9R64 D76 L77 L93 L94 V203 K206 A207 L210R64-L72 PolarHBondContact NH2-O 2.76Å; L72-D76 HydrophobicContact CB-CB 4.41Å; L72-D76 HydrophobicContact CD2-CB 4.15Å; L72-L77 HydrophobicContact CB-CD2 3.86Å; L72-L93 WeakPolarHBondContact CD1-O 3.47Å; L72-L94 PolarHBondContact N-O 3.39Å; L72-V203 HydrophobicContact CD1-CG2 3.88Å; L72-K206 HydrophobicContact CD2-CB 4.27Å; L72-A207 HydrophobicContact CD1-CB 4.2Å; L72-A207 HydrophobicContact CD2-CB 4.26Å; L72-A207 HydrophobicContact CG-CB 4.31Å; L72-L210 HydrophobicContact CD2-CD2 4.18Å
73P97.3Very high97.4Very high46 Ų4658.4 Ų58.430%0.29929%0.286SS..  trans-70159.6175.531.8-36.1000111.2E75 D76 L77P73-E75 HydrophobicContact CB-CG 4.13Å; P73-E75 HydrophobicContact CG-CG 3.98Å; P73-E75 PolarHBondContact O-N 2.86Å; P73-D76 HydrophobicContact CG-CB 4.06Å; P73-D76 PolarHBondContact O-N 2.84Å; P73-L77 PolarHBondContact O-N 3.06Å
74D95.9Very high97.4Very high111 Ų11158.4 Ų58.459%0.59429%0.286SS*.G310 helixtrans-58.1-33.3-174.7-70.7-28.8000113.6R64 D76 L77R64-D74 IonicContact CZ-OD1 3.01Å; R64-D74 IonicContact NH1-OD1 3.65Å; R64-D74 PolarHBondContact NH1-OD1 2.9Å; R64-D74 IonicContact NH1-OD2 3.63Å; R64-D74 PolarHBondContact NH1-OD2 2.73Å; R64-D74 IonicContact NH2-OD1 3.39Å; R64-D74 PolarHBondContact NH2-OD1 2.68Å; D74-D76 PolarHBondContact O-N 2.56Å; D74-L77 PolarHBondContact O-N 3.25Å
75E96.3Very high97.4Very high168 Ų16856.2 Ų56.279%0.78528%0.284SS*.G310 helixtrans-65.5-18.9176.360.5-164.6-151.900114.3P73P73-E75 HydrophobicContact CB-CG 4.13Å; P73-E75 HydrophobicContact CG-CG 3.98Å; P73-E75 PolarHBondContact O-N 2.86Å
76D97.2Very high97.5Very high34 Ų3451.8 Ų51.818%0.18228%0.282CS..G310 helixtrans-105-10.5178.8-71.3-21000113.1L72 P73 D74 Q78 K206L72-D76 HydrophobicContact CB-CB 4.41Å; L72-D76 HydrophobicContact CD2-CB 4.15Å; P73-D76 HydrophobicContact CG-CB 4.06Å; P73-D76 PolarHBondContact O-N 2.84Å; D74-D76 PolarHBondContact O-N 2.56Å; D76-Q78 PolarHBondContact O-N 2.8Å; D76-K206 HydrophobicContact CB-CD 4.19Å; D76-K206 WeakPolarHBondContact OD1-CD 3.41Å; D76-K206 WeakPolarHBondContact OD1-CE 3.39Å; D76-K206 IonicContact OD1-NZ 3.02Å; D76-K206 PolarHBondContact OD1-NZ 2.89Å
77L97.4Very high97.6Very high47 Ų4747.8 Ų47.825%0.24627%0.267CS..  trans-71.1122.5174.1-65.1-172.9000109.9V60 L72 P73 D74 L93 L94V60-L77 HydrophobicContact CG1-CD1 4.37Å; L72-L77 HydrophobicContact CB-CD2 3.86Å; P73-L77 PolarHBondContact O-N 3.06Å; D74-L77 PolarHBondContact O-N 3.25Å; L77-L93 WeakPolarHBondContact CD2-O 3.04Å; L77-L94 HydrophobicContact CD1-CD2 4.47Å; L77-L94 HydrophobicContact CD2-CD2 3.76Å
78Q97.8Very high97.7Very high47 Ų4749.9 Ų49.922%0.2228%0.278CS..  trans-143136.7-178.5-178.7-175.2-15.500109.9D76 V80 C92D76-Q78 PolarHBondContact O-N 2.8Å; Q78-V80 HydrophobicContact CB-CG2 4.45Å; Q78-V80 HydrophobicContact CG-CG2 3.94Å; Q78-C92 WeakPolarHBondContact O-CA 3.43Å
79W98.6Very high97.8Very high112 Ų11245.5 Ų45.542%0.42425%0.25SS..EExtended strand (participates in β ladder)trans-79.3125.1164.7-72.2101.1000110.3F56 M91 C92 L104 W167F56-W79 HydrophobicContact CD2-CH2 4.16Å; F56-W79 AromaticContact CD2-CZ2 3.97Å; F56-W79 HydrophobicContact CD2-CZ2 3.97Å; F56-W79 AromaticContact CE2-CH2 3.64Å; F56-W79 HydrophobicContact CE2-CH2 3.64Å; F56-W79 AromaticContact CE2-CZ2 3.9Å; F56-W79 HydrophobicContact CE2-CZ2 3.9Å; F56-W79 HydrophobicContact CZ-CH2 4.32Å; W79-M91 CarbonylContact C-O 3.56Å; W79-M91 WeakPolarHBondContact CA-O 3.15Å; W79-M91 VanDerWaalsContact CE3-C 3.46Å; W79-C92 HydrophobicContact CD2-CB 3.77Å; W79-C92 HydrophobicContact CE3-CB 3.8Å; W79-C92 HydrophobicContact CG-CB 4.38Å; W79-C92 HydrophobicContact CH2-CB 4.05Å; W79-C92 HydrophobicContact CZ2-CB 4.01Å; W79-C92 HydrophobicContact CZ3-CB 3.93Å; W79-L104 HydrophobicContact CH2-CB 3.75Å; W79-L104 HydrophobicContact CZ2-CB 4.41Å; W79-L104 HydrophobicContact CZ2-CD1 4.45Å; W79-L104 HydrophobicContact CZ3-CB 4.39Å; W79-W167 HydrophobicContact CE3-CZ3 4.29Å; W79-W167 AromaticContact CH2-CE3 3.97Å; W79-W167 HydrophobicContact CH2-CE3 3.97Å; W79-W167 AromaticContact CH2-CZ3 3.58Å; W79-W167 HydrophobicContact CH2-CZ3 3.58Å; W79-W167 HydrophobicContact CZ2-CZ3 4.35Å; W79-W167 HydrophobicContact CZ3-CE3 4.26Å; W79-W167 HydrophobicContact CZ3-CH2 4.49Å; W79-W167 AromaticContact CZ3-CZ3 3.55Å; W79-W167 HydrophobicContact CZ3-CZ3 3.55Å
80V98.4Very high98Very high5 Ų544.4 Ų44.43%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-126.5139.3-179.9-174.90000108Q78 S90 M91 T196Q78-V80 HydrophobicContact CB-CG2 4.45Å; Q78-V80 HydrophobicContact CG-CG2 3.94Å; V80-S90 CarbonylContact O-C 3.55Å; V80-S90 VanDerWaalsContact O-CA 3.26Å; V80-S90 WeakPolarHBondContact O-CA 3.26Å; V80-S90 PolarHBondContact O-OG 3.44Å; V80-M91 PolarHBondContact N-O 2.97Å; V80-M91 PolarHBondContact O-N 3.1Å; V80-T196 HydrophobicContact CG1-CG2 3.87Å
81F98.6Very high98Very high109 Ų10944.8 Ų44.848%0.47824%0.239SC..EExtended strand (participates in β ladder)trans-69.5150.1173.5-76.1-57.6000111M88 G89 T196F81-M88 HydrophobicContact CB-CE 4.26Å; F81-M88 HydrophobicContact CD1-CE 3.41Å; F81-M88 VanDerWaalsContact CD1-CE 3.41Å; F81-M88 HydrophobicContact CD2-CE 4.12Å; F81-M88 HydrophobicContact CE1-CE 3.65Å; F81-M88 HydrophobicContact CE2-CE 4.31Å; F81-M88 HydrophobicContact CG-CE 3.68Å; F81-M88 HydrophobicContact CZ-CE 4.09Å; F81-G89 CarbonylContact C-O 3.55Å; F81-G89 WeakPolarHBondContact CA-O 3.36Å; F81-G89 WeakPolarHBondContact CD1-O 3.18Å; F81-T196 HydrophobicContact CB-CG2 4.34Å; F81-T196 WeakPolarHBondContact O-CG2 3.48Å
82V98.3Very high98Very high12 Ų1244.5 Ų44.57%0.07324%0.238CC..EExtended strand (participates in β ladder)trans-128121.5175-174.10000107.8W87 M88 G89 M91V82-W87 HydrophobicContact CB-CZ3 4.13Å; V82-W87 HydrophobicContact CG1-CH2 3.82Å; V82-W87 HydrophobicContact CG1-CZ3 3.7Å; V82-M88 WeakPolarHBondContact O-CA 3.5Å; V82-G89 PolarHBondContact N-O 3.33Å; V82-G89 PolarHBondContact O-N 3.14Å; V82-M91 HydrophobicContact CG2-CB 3.87Å; V82-M91 HydrophobicContact CG2-CE 4.19Å; V82-M91 HydrophobicContact CG2-CG 3.48Å; V82-M91 VanDerWaalsContact CG2-CG 3.48Å; V82-M91 HydrophobicContact CG2-SD 3.65Å
83N98.6Very high98Very high20 Ų2045 Ų4511%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-121113.1174.3-72.596.7000108.6M88 D186 T187 T191N83-M88 WeakPolarHBondContact ND2-CB 3.09Å; N83-M88 WeakPolarHBondContact ND2-CG 3.38Å; N83-D186 HydrophobicContact CB-CB 4.07Å; N83-D186 WeakPolarHBondContact O-CB 3.14Å; N83-D186 PolarHBondContact O-N 2.86Å; N83-T187 PolarHBondContact O-N 3.06Å; N83-T187 PolarHBondContact O-OG1 3.38Å; N83-T191 HydrophobicContact CB-CG2 4.14Å
84A98.1Very high98.1Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-157.9150.6179.600000111G86 W87 F182 D186A84-G86 PolarHBondContact O-N 3.04Å; A84-W87 HydrophobicContact CB-CH2 4.12Å; A84-W87 HydrophobicContact CB-CZ2 4Å; A84-W87 PolarHBondContact N-O 2.75Å; A84-W87 VanDerWaalsContact O-CD1 3.23Å; A84-W87 PolarHBondContact O-N 3.46Å; A84-W87 PolarHBondContact O-NE1 3.01Å; A84-F182 HydrophobicContact CB-CD1 4.03Å; A84-F182 HydrophobicContact CB-CE1 3.65Å; A84-F182 HydrophobicContact CB-CZ 4.03Å; A84-F182 VanDerWaalsContact CB-O 3.29Å; A84-F182 WeakPolarHBondContact CB-O 3.29Å; A84-D186 WeakPolarHBondContact CA-OD2 3.09Å
85G97.9Very high98.2Very high19 Ų1937.6 Ų37.620%0.19620%0.199CC..THydrogen-bonded Turntrans58.219.3173.600000115.7W87 G113 H114 D186G85-W87 VanDerWaalsContact C-N 3.34Å; G85-G113 CarbonylContact O-C 3.54Å; G85-G113 VanDerWaalsContact O-CA 3.3Å; G85-G113 WeakPolarHBondContact O-CA 3.45Å; G85-H114 PolarHBondContact O-N 3.39Å; G85-D186 PolarHBondContact N-OD2 3Å
86G98.3Very high98.3Very high61 Ų6129.7 Ų29.763%0.62916%0.162SC*.THydrogen-bonded Turntrans86.1-7.3-175.400000115.2A84 D186A84-G86 PolarHBondContact O-N 3.04Å; G86-D186 WeakPolarHBondContact CA-OD2 3.4Å; G86-D186 PolarHBondContact N-OD2 3Å
87W98.6Very high98.3Very high21 Ų2128.6 Ų28.68%0.0816%0.157CC..EExtended strand (participates in β ladder)trans-100.4164.9176.453.3-102000112V82 A84 G85 F105 T111 H114 W162 F182V82-W87 HydrophobicContact CB-CZ3 4.13Å; V82-W87 HydrophobicContact CG1-CH2 3.82Å; V82-W87 HydrophobicContact CG1-CZ3 3.7Å; A84-W87 HydrophobicContact CB-CH2 4.12Å; A84-W87 HydrophobicContact CB-CZ2 4Å; A84-W87 PolarHBondContact N-O 2.75Å; A84-W87 VanDerWaalsContact O-CD1 3.23Å; A84-W87 PolarHBondContact O-N 3.46Å; A84-W87 PolarHBondContact O-NE1 3.01Å; G85-W87 VanDerWaalsContact C-N 3.34Å; W87-F105 HydrophobicContact CE3-CZ 4.27Å; W87-F105 HydrophobicContact CH2-CZ 4.49Å; W87-F105 AromaticContact CZ3-CE2 3.96Å; W87-F105 HydrophobicContact CZ3-CE2 3.96Å; W87-F105 AromaticContact CZ3-CZ 3.87Å; W87-F105 HydrophobicContact CZ3-CZ 3.87Å; W87-T111 WeakPolarHBondContact CA-OG1 3.47Å; W87-T111 HydrophobicContact CB-CG2 4.24Å; W87-T111 WeakPolarHBondContact CB-OG1 3.37Å; W87-H114 PolarHBondContact NE1-O 2.77Å; W87-W162 HydrophobicContact CB-CZ3 3.95Å; W87-W162 AromaticContact CD1-CZ3 3.88Å; W87-W162 HydrophobicContact CD2-CH2 4.02Å; W87-W162 AromaticContact CD2-CZ3 3.93Å; W87-W162 HydrophobicContact CD2-CZ3 3.93Å; W87-W162 HydrophobicContact CG-CH2 4.15Å; W87-W162 AromaticContact CG-CZ3 3.64Å; W87-W162 HydrophobicContact CG-CZ3 3.64Å; W87-F182 AromaticContact CZ2-CE1 3.95Å; W87-F182 HydrophobicContact CZ2-CE1 3.95Å
88M98.7Very high98.2Very high74 Ų7430.7 Ų30.737%0.36517%0.168SC..EExtended strand (participates in β ladder)trans-135.5130.6178.3-177.7174.1177.700110.1F81 V82 N83 T111F81-M88 HydrophobicContact CB-CE 4.26Å; F81-M88 HydrophobicContact CD1-CE 3.41Å; F81-M88 VanDerWaalsContact CD1-CE 3.41Å; F81-M88 HydrophobicContact CD2-CE 4.12Å; F81-M88 HydrophobicContact CE1-CE 3.65Å; F81-M88 HydrophobicContact CE2-CE 4.31Å; F81-M88 HydrophobicContact CG-CE 3.68Å; F81-M88 HydrophobicContact CZ-CE 4.09Å; V82-M88 WeakPolarHBondContact O-CA 3.5Å; N83-M88 WeakPolarHBondContact ND2-CB 3.09Å; N83-M88 WeakPolarHBondContact ND2-CG 3.38Å; M88-T111 PolarHBondContact N-OG1 3.36Å; M88-T111 VanDerWaalsContact O-CG2 3.26Å; M88-T111 WeakPolarHBondContact O-CG2 3.47Å; M88-T111 PolarHBondContact O-OG1 2.89Å
89G98.5Very high98.1Very high3 Ų328.5 Ų28.53%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-144.6-169.7173.200000111.4F81 V82 G106F81-G89 CarbonylContact C-O 3.55Å; F81-G89 WeakPolarHBondContact CA-O 3.36Å; F81-G89 WeakPolarHBondContact CD1-O 3.18Å; V82-G89 PolarHBondContact N-O 3.33Å; V82-G89 PolarHBondContact O-N 3.14Å; G89-G106 CarbonylContact C-O 3.57Å; G89-G106 WeakPolarHBondContact CA-O 3.43Å
90S98.5Very high98.1Very high15 Ų1523.2 Ų23.211%0.10514%0.138CC..EExtended strand (participates in β ladder)trans-131.4140.7171.7-1680000110.2V80 F105 G106V80-S90 CarbonylContact O-C 3.55Å; V80-S90 VanDerWaalsContact O-CA 3.26Å; V80-S90 WeakPolarHBondContact O-CA 3.26Å; V80-S90 PolarHBondContact O-OG 3.44Å; S90-F105 WeakPolarHBondContact O-CA 3.39Å; S90-F105 WeakPolarHBondContact O-CD2 3.33Å; S90-G106 PolarHBondContact N-O 2.89Å; S90-G106 PolarHBondContact O-N 2.8Å
91M98.6Very high98.1Very high24 Ų2423.7 Ų23.712%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-119.7149.4176.671.4176.8-179.700111.8W79 V80 V82 L103 L104 F105 T200W79-M91 CarbonylContact C-O 3.56Å; W79-M91 WeakPolarHBondContact CA-O 3.15Å; W79-M91 VanDerWaalsContact CE3-C 3.46Å; V80-M91 PolarHBondContact N-O 2.97Å; V80-M91 PolarHBondContact O-N 3.1Å; V82-M91 HydrophobicContact CG2-CB 3.87Å; V82-M91 HydrophobicContact CG2-CE 4.19Å; V82-M91 HydrophobicContact CG2-CG 3.48Å; V82-M91 VanDerWaalsContact CG2-CG 3.48Å; V82-M91 HydrophobicContact CG2-SD 3.65Å; M91-L103 HydrophobicContact CB-CD1 4.21Å; M91-L103 HydrophobicContact CB-CD2 4.47Å; M91-L103 HydrophobicContact SD-CD2 4.13Å; M91-L104 CarbonylContact C-O 3.57Å; M91-L104 WeakPolarHBondContact CA-O 3.19Å; M91-F105 HydrophobicContact CB-CD2 4.38Å; M91-T200 HydrophobicContact CE-CG2 3.74Å
92C98.7Very high98.1Very high6 Ų618.5 Ų18.54%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-123.2108.1163.3-171.80000108.5Q78 W79 L103 L104Q78-C92 WeakPolarHBondContact O-CA 3.43Å; W79-C92 HydrophobicContact CD2-CB 3.77Å; W79-C92 HydrophobicContact CE3-CB 3.8Å; W79-C92 HydrophobicContact CG-CB 4.38Å; W79-C92 HydrophobicContact CH2-CB 4.05Å; W79-C92 HydrophobicContact CZ2-CB 4.01Å; W79-C92 HydrophobicContact CZ3-CB 3.93Å; C92-L103 WeakPolarHBondContact O-CA 3.31Å; C92-L103 WeakPolarHBondContact O-CB 3.23Å; C92-L104 HydrophobicContact CB-CB 4.21Å; C92-L104 HydrophobicContact CB-CD1 4.45Å; C92-L104 PolarHBondContact N-O 2.93Å; C92-L104 PolarHBondContact O-N 3.48Å
93L98.7Very high98.1Very high12 Ų1218.4 Ų18.46%0.06312%0.116CC..EExtended strand (participates in β ladder)trans-72.1128.6-177.8-17063.8000110.1L72 L77 H95 A96 L103 V203 A207L72-L93 WeakPolarHBondContact CD1-O 3.47Å; L77-L93 WeakPolarHBondContact CD2-O 3.04Å; L93-H95 WeakPolarHBondContact CD1-O 3.38Å; L93-A96 HydrophobicContact CD1-CB 4.19Å; L93-A96 HydrophobicContact CD2-CB 3.93Å; L93-A96 HydrophobicContact CG-CB 4.37Å; L93-L103 HydrophobicContact CD1-CB 4.04Å; L93-L103 HydrophobicContact CD1-CD2 4.32Å; L93-V203 HydrophobicContact CB-CG1 4.27Å; L93-V203 HydrophobicContact CB-CG2 3.97Å; L93-V203 HydrophobicContact CD2-CB 4.5Å; L93-V203 HydrophobicContact CD2-CG1 3.94Å; L93-V203 HydrophobicContact CD2-CG2 4.13Å; L93-A207 HydrophobicContact CD2-CB 4.21Å
94L98.6Very high98.1Very high0 Ų017.8 Ų17.80%011%0.112CC..EExtended strand (participates in β ladder)trans-104-44.3178.1-57.6-174.4000111.6V60 L63 I71 L72 L77 L102 L104V60-L94 HydrophobicContact CG2-CD1 3.94Å; V60-L94 HydrophobicContact CG2-CD2 3.78Å; L63-L94 HydrophobicContact CD1-CD1 3.81Å; I71-L94 CarbonylContact C-O 3.56Å; I71-L94 WeakPolarHBondContact CA-O 3.44Å; I71-L94 HydrophobicContact CG2-CB 4.28Å; L72-L94 PolarHBondContact N-O 3.39Å; L77-L94 HydrophobicContact CD1-CD2 4.47Å; L77-L94 HydrophobicContact CD2-CD2 3.76Å; L94-L102 WeakPolarHBondContact CA-O 3.24Å; L94-L102 HydrophobicContact CB-CG 4.48Å; L94-L102 WeakPolarHBondContact CB-O 3.48Å; L94-L102 HydrophobicContact CD1-CG 4.45Å; L94-L102 PolarHBondContact N-O 3.05Å; L94-L104 HydrophobicContact CD1-CD2 3.8Å; L94-L104 HydrophobicContact CD1-CG 3.93Å; L94-L104 HydrophobicContact CD2-CD1 4.29Å; L94-L104 HydrophobicContact CD2-CG 4.23Å; L94-L104 HydrophobicContact CG-CG 4.14Å
95H98.5Very high98.1Very high1 Ų118 Ų181%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-138.7145.3177.7169.292.7000109.5F35 H70 I71 L93 Y101 L102 E211F35-H95 HydrophobicContact CE2-CB 4.07Å; F35-H95 AromaticContact CE2-CD2 3.5Å; F35-H95 AromaticContact CE2-CE1 3.76Å; F35-H95 AromaticContact CE2-CG 3.51Å; F35-H95 AromaticContact CE2-ND1 3.7Å; F35-H95 AromaticContact CE2-NE2 3.7Å; F35-H95 HydrophobicContact CZ-CB 3.98Å; F35-H95 AromaticContact CZ-CG 3.8Å; F35-H95 AromaticContact CZ-ND1 3.9Å; H70-H95 VanDerWaalsContact O-CB 3.3Å; H70-H95 WeakPolarHBondContact O-CB 3.35Å; H70-H95 PolarHBondContact O-ND1 2.88Å; I71-H95 HydrophobicContact CD1-CB 4.32Å; L93-H95 WeakPolarHBondContact CD1-O 3.38Å; H95-Y101 CarbonylContact O-C 3.56Å; H95-Y101 VanDerWaalsContact O-CA 3.28Å; H95-Y101 WeakPolarHBondContact O-CA 3.38Å; H95-L102 HydrophobicContact CB-CB 3.97Å; H95-L102 PolarHBondContact N-O 3.14Å; H95-L102 PolarHBondContact O-N 2.96Å; H95-E211 IonicContact CE1-OE1 3.36Å; H95-E211 PolarHBondContact CE1-OE1 2.91Å; H95-E211 IonicContact CE1-OE2 2.69Å; H95-E211 PolarHBondContact CE1-OE2 2.85Å; H95-E211 IonicContact ND1-OE1 2.76Å; H95-E211 PolarHBondContact ND1-OE1 3.28Å
96A98.1Very high98.2Very high1 Ų117.1 Ų17.11%0.00810%0.104CC..EExtended strand (participates in β ladder)trans-153.8136.3164.300000112.6L93 E100 Y204 A207 E211L93-A96 HydrophobicContact CD1-CB 4.19Å; L93-A96 HydrophobicContact CD2-CB 3.93Å; L93-A96 HydrophobicContact CG-CB 4.37Å; A96-E100 CarbonylContact C-O 3.57Å; A96-E100 WeakPolarHBondContact CA-O 3.42Å; A96-Y204 HydrophobicContact CB-CD2 3.55Å; A96-Y204 HydrophobicContact CB-CE2 3.63Å; A96-A207 HydrophobicContact CB-CB 3.66Å; A96-A207 CarbonylContact O-C 3.59Å; A96-E211 WeakPolarHBondContact O-CG 3.29Å
97S97.2Very high98.2Very high11 Ų1114.6 Ų14.68%0.0778%0.076CC..  trans-129-175.6170.673.60000109.6T99 E100 Y204S97-T99 PolarHBondContact O-N 3.03Å; S97-T99 PolarHBondContact OG-N 3.46Å; S97-E100 PolarHBondContact N-O 3.31Å; S97-E100 PolarHBondContact OG-N 2.95Å; S97-E100 PolarHBondContact OG-O 3.23Å; S97-Y204 PolarHBondContact O-OH 2.89Å
98L95.3Very high98.2Very high92 Ų9217.2 Ų17.248%0.48210%0.102SC..SBendtrans-66.3-19.2172.5-62.7179.3000113I176 P177 L208L98-I176 PolarHBondContact O-N 3.25Å; L98-P177 HydrophobicContact CD2-CG 4.06Å; L98-P177 WeakPolarHBondContact O-CD 3.39Å; L98-L208 HydrophobicContact CD2-CD2 4.26Å
99T95.8Very high98.1Very high1 Ų118.1 Ų18.11%0.00611%0.112CC..SBendtrans-122.9-15.5-171.455.60000115.8W27 M28 K31 S97 R173 G174 I176W27-T99 HydrophobicContact CH2-CG2 3.65Å; W27-T99 HydrophobicContact CZ2-CG2 4.45Å; W27-T99 HydrophobicContact CZ3-CG2 4Å; M28-T99 HydrophobicContact CE-CG2 4.25Å; M28-T99 HydrophobicContact SD-CG2 3.71Å; K31-T99 HydrophobicContact CD-CG2 4.28Å; K31-T99 WeakPolarHBondContact CE-OG1 3.26Å; K31-T99 PolarHBondContact NZ-OG1 3.3Å; S97-T99 PolarHBondContact O-N 3.03Å; S97-T99 PolarHBondContact OG-N 3.46Å; T99-R173 WeakPolarHBondContact O-CA 3.16Å; T99-G174 CarbonylContact C-O 3.56Å; T99-G174 WeakPolarHBondContact CA-O 3.46Å; T99-G174 PolarHBondContact O-N 3.39Å; T99-I176 VanDerWaalsContact C-CG1 3.44Å
100E97.6Very high98.1Very high0 Ų023.2 Ų23.20%014%0.138CC..EExtended strand (participates in β ladder)trans-138.5147.1-177.1-66.4174.48600110Y33 V34 F35 A96 S97 Y171 G172Y33-E100 WeakPolarHBondContact CA-OE2 3.5Å; Y33-E100 HydrophobicContact CD1-CG 3.63Å; Y33-E100 HydrophobicContact CE1-CG 4.3Å; V34-E100 PolarHBondContact N-OE1 2.82Å; V34-E100 VanDerWaalsContact N-OE1 3.14Å; V34-E100 PolarHBondContact N-OE2 3.18Å; F35-E100 PolarHBondContact N-OE1 2.93Å; A96-E100 CarbonylContact C-O 3.57Å; A96-E100 WeakPolarHBondContact CA-O 3.42Å; S97-E100 PolarHBondContact N-O 3.31Å; S97-E100 PolarHBondContact OG-N 2.95Å; S97-E100 PolarHBondContact OG-O 3.23Å; E100-Y171 HydrophobicContact CB-CE2 4.29Å; E100-Y171 HydrophobicContact CG-CE2 4.46Å; E100-Y171 PolarHBondContact OE1-OH 3.11Å; E100-G172 VanDerWaalsContact CA-O 3.28Å; E100-G172 WeakPolarHBondContact CA-O 3.47Å
101Y98.4Very high98.1Very high15 Ų1523.6 Ų23.66%0.05914%0.14CC..EExtended strand (participates in β ladder)trans-140.8153.1160.272.8-93.3000109.8H95 L103 E170 Y171 G172 I176H95-Y101 CarbonylContact O-C 3.56Å; H95-Y101 VanDerWaalsContact O-CA 3.28Å; H95-Y101 WeakPolarHBondContact O-CA 3.38Å; Y101-L103 HydrophobicContact CD2-CD2 3.54Å; Y101-L103 HydrophobicContact CD2-CG 3.84Å; Y101-L103 HydrophobicContact CE2-CD2 3.51Å; Y101-L103 HydrophobicContact CE2-CG 3.79Å; Y101-E170 HydrophobicContact CE2-CG 3.94Å; Y101-E170 WeakPolarHBondContact CE2-OE1 3.46Å; Y101-E170 PolarHBondContact OH-OE1 3.05Å; Y101-Y171 WeakPolarHBondContact O-CA 3.35Å; Y101-Y171 WeakPolarHBondContact O-CD2 3.39Å; Y101-G172 PolarHBondContact N-O 3.34Å; Y101-G172 PolarHBondContact O-N 2.87Å; Y101-I176 HydrophobicContact CD1-CD1 3.6Å; Y101-I176 HydrophobicContact CD1-CG1 4.09Å; Y101-I176 HydrophobicContact CD1-CG2 3.83Å; Y101-I176 HydrophobicContact CE1-CD1 4.05Å
102L98.6Very high98.1Very high0 Ų024 Ų240%015%0.15CC..EExtended strand (participates in β ladder)trans-133.9127.1172.5-176.464000107.9F35 V40 L63 I71 L94 H95 V169 E170 Y171F35-L102 HydrophobicContact CD1-CD2 4.39Å; F35-L102 HydrophobicContact CE1-CD2 4.09Å; F35-L102 HydrophobicContact CZ-CD2 4.39Å; V40-L102 HydrophobicContact CG1-CD1 3.62Å; V40-L102 HydrophobicContact CG2-CD1 4.36Å; L63-L102 HydrophobicContact CD1-CD2 3.52Å; L63-L102 HydrophobicContact CD1-CG 4.48Å; L63-L102 HydrophobicContact CD2-CD2 3.81Å; L63-L102 HydrophobicContact CG-CD2 4.27Å; I71-L102 HydrophobicContact CD1-CD2 4.3Å; L94-L102 WeakPolarHBondContact CA-O 3.24Å; L94-L102 HydrophobicContact CB-CG 4.48Å; L94-L102 WeakPolarHBondContact CB-O 3.48Å; L94-L102 HydrophobicContact CD1-CG 4.45Å; L94-L102 PolarHBondContact N-O 3.05Å; H95-L102 HydrophobicContact CB-CB 3.97Å; H95-L102 PolarHBondContact N-O 3.14Å; H95-L102 PolarHBondContact O-N 2.96Å; L102-V169 HydrophobicContact CD1-CG1 3.78Å; L102-E170 WeakPolarHBondContact CA-O 3.34Å; L102-Y171 HydrophobicContact CB-CD2 4.31Å; L102-Y171 HydrophobicContact CD1-CD2 4.13Å; L102-Y171 HydrophobicContact CD1-CG 4.34Å
103L98.6Very high98.1Very high11 Ų1124.6 Ų24.66%0.05816%0.158CC..EExtended strand (participates in β ladder)trans-143.8160.3-179.860.383.5000111.7M91 C92 L93 Y101 F105 E170M91-L103 HydrophobicContact CB-CD1 4.21Å; M91-L103 HydrophobicContact CB-CD2 4.47Å; M91-L103 HydrophobicContact SD-CD2 4.13Å; C92-L103 WeakPolarHBondContact O-CA 3.31Å; C92-L103 WeakPolarHBondContact O-CB 3.23Å; L93-L103 HydrophobicContact CD1-CB 4.04Å; L93-L103 HydrophobicContact CD1-CD2 4.32Å; Y101-L103 HydrophobicContact CD2-CD2 3.54Å; Y101-L103 HydrophobicContact CD2-CG 3.84Å; Y101-L103 HydrophobicContact CE2-CD2 3.51Å; Y101-L103 HydrophobicContact CE2-CG 3.79Å; L103-F105 HydrophobicContact CD1-CB 3.58Å; L103-E170 HydrophobicContact CD1-CB 3.65Å; L103-E170 HydrophobicContact CD1-CG 4.35Å; L103-E170 HydrophobicContact CG-CB 4.15Å; L103-E170 PolarHBondContact N-O 2.97Å; L103-E170 PolarHBondContact O-N 2.97Å
104L98.8Very high98.1Very high7 Ų728.2 Ų28.24%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-93.4129.5165.4-50.5177.6000107F56 V60 W79 M91 C92 L94 V169F56-L104 HydrophobicContact CB-CD1 3.73Å; F56-L104 HydrophobicContact CD1-CB 4.36Å; F56-L104 HydrophobicContact CD1-CD1 3.92Å; F56-L104 HydrophobicContact CD1-CD2 3.6Å; F56-L104 HydrophobicContact CD1-CG 4.16Å; F56-L104 HydrophobicContact CD2-CD1 4.01Å; F56-L104 HydrophobicContact CE1-CB 4.06Å; F56-L104 HydrophobicContact CE1-CD1 4.45Å; F56-L104 HydrophobicContact CE1-CD2 3.79Å; F56-L104 HydrophobicContact CE1-CG 4.31Å; F56-L104 HydrophobicContact CE2-CB 4.29Å; F56-L104 HydrophobicContact CG-CD1 3.64Å; F56-L104 HydrophobicContact CG-CD2 4.23Å; F56-L104 HydrophobicContact CG-CG 4.36Å; F56-L104 HydrophobicContact CZ-CB 3.99Å; V60-L104 HydrophobicContact CG2-CD1 4.3Å; W79-L104 HydrophobicContact CH2-CB 3.75Å; W79-L104 HydrophobicContact CZ2-CB 4.41Å; W79-L104 HydrophobicContact CZ2-CD1 4.45Å; W79-L104 HydrophobicContact CZ3-CB 4.39Å; M91-L104 CarbonylContact C-O 3.57Å; M91-L104 WeakPolarHBondContact CA-O 3.19Å; C92-L104 HydrophobicContact CB-CB 4.21Å; C92-L104 HydrophobicContact CB-CD1 4.45Å; C92-L104 PolarHBondContact N-O 2.93Å; C92-L104 PolarHBondContact O-N 3.48Å; L94-L104 HydrophobicContact CD1-CD2 3.8Å; L94-L104 HydrophobicContact CD1-CG 3.93Å; L94-L104 HydrophobicContact CD2-CD1 4.29Å; L94-L104 HydrophobicContact CD2-CG 4.23Å; L94-L104 HydrophobicContact CG-CG 4.14Å; L104-V169 HydrophobicContact CD2-CG2 3.92Å
105F98.7Very high98.1Very high5 Ų528.8 Ų28.82%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-127.5151.4179.1179.3-100.8000110.7W87 S90 M91 L103 W162 W167 M168W87-F105 HydrophobicContact CE3-CZ 4.27Å; W87-F105 HydrophobicContact CH2-CZ 4.49Å; W87-F105 AromaticContact CZ3-CE2 3.96Å; W87-F105 HydrophobicContact CZ3-CE2 3.96Å; W87-F105 AromaticContact CZ3-CZ 3.87Å; W87-F105 HydrophobicContact CZ3-CZ 3.87Å; S90-F105 WeakPolarHBondContact O-CA 3.39Å; S90-F105 WeakPolarHBondContact O-CD2 3.33Å; M91-F105 HydrophobicContact CB-CD2 4.38Å; L103-F105 HydrophobicContact CD1-CB 3.58Å; F105-W162 HydrophobicContact CE1-CD2 4.35Å; F105-W162 AromaticContact CE1-CE2 3.68Å; F105-W162 AromaticContact CE1-CZ2 3.83Å; F105-W162 HydrophobicContact CE1-CZ2 3.83Å; F105-W162 AromaticContact CE1-NE1 3.63Å; F105-W162 HydrophobicContact CZ-CZ2 4.39Å; F105-W167 CarbonylContact O-C 3.44Å; F105-W167 WeakPolarHBondContact O-CA 3.44Å; F105-M168 HydrophobicContact CB-CG 4.09Å; F105-M168 HydrophobicContact CD1-CG 4.06Å; F105-M168 HydrophobicContact CD1-SD 4.01Å; F105-M168 PolarHBondContact N-O 3.29Å; F105-M168 PolarHBondContact O-N 2.84Å
106G98.5Very high98.1Very high0 Ų028.8 Ų28.80%018%0.178CC..EExtended strand (participates in β ladder)trans174.8-171165.200000113.9G89 S90 T166 W167G89-G106 CarbonylContact C-O 3.57Å; G89-G106 WeakPolarHBondContact CA-O 3.43Å; S90-G106 PolarHBondContact N-O 2.89Å; S90-G106 PolarHBondContact O-N 2.8Å; G106-T166 CarbonylContact C-O 3.58Å; G106-T166 WeakPolarHBondContact CA-O 3.23Å; G106-W167 VanDerWaalsContact CA-CE3 3.44Å
107T98.7Very high98.1Very high8 Ų835.1 Ų35.15%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-147.9139.8179.1179.40000111.3V109 T111 W162 G165 T166T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 WeakPolarHBondContact CB-O 3.4Å; T107-V109 WeakPolarHBondContact CG2-O 3.18Å; T107-V109 PolarHBondContact OG1-N 3.36Å; T107-V109 VanDerWaalsContact OG1-N 3.11Å; T107-V109 PolarHBondContact OG1-O 3.19Å; T107-T111 HydrophobicContact CG2-CG2 3.93Å; T107-W162 HydrophobicContact CG2-CB 3.68Å; T107-W162 HydrophobicContact CG2-CG 4.45Å; T107-G165 WeakPolarHBondContact O-CA 3.35Å; T107-G165 PolarHBondContact O-N 3.43Å; T107-T166 PolarHBondContact N-O 2.99Å; T107-T166 PolarHBondContact O-N 2.82Å
108A98.2Very high98.1Very high75 Ų7535.8 Ų35.862%0.6220%0.203SC*.SBendtrans-85.8-7.5172.400000113A164A108-A164 WeakPolarHBondContact O-CB 3.48Å
109V98.4Very high98.1Very high93 Ų9340.1 Ų40.156%0.56421%0.213SC*.SBendtrans-130.1158.4-179.7-63.30000111.1T107 T111T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 WeakPolarHBondContact CB-O 3.4Å; T107-V109 WeakPolarHBondContact CG2-O 3.18Å; T107-V109 PolarHBondContact OG1-N 3.36Å; T107-V109 VanDerWaalsContact OG1-N 3.11Å; T107-V109 PolarHBondContact OG1-O 3.19Å; V109-T111 PolarHBondContact O-N 2.95Å
110D98.4Very high98.1Very high111 Ų11140 Ų4059%0.59421%0.213SC*.  trans-62.2136.2175.3-64.4-43.9000110.8S163 A164D110-S163 WeakPolarHBondContact OD1-CA 3.27Å; D110-A164 PolarHBondContact OD1-N 2.72Å
111T98.7Very high98.1Very high22 Ų2242.2 Ų42.214%0.13522%0.223CC..EExtended strand (participates in β ladder)trans-151.5156.1177.1-162.20000110.9W87 M88 T107 V109 Q161 W162W87-T111 WeakPolarHBondContact CA-OG1 3.47Å; W87-T111 HydrophobicContact CB-CG2 4.24Å; W87-T111 WeakPolarHBondContact CB-OG1 3.37Å; M88-T111 PolarHBondContact N-OG1 3.36Å; M88-T111 VanDerWaalsContact O-CG2 3.26Å; M88-T111 WeakPolarHBondContact O-CG2 3.47Å; M88-T111 PolarHBondContact O-OG1 2.89Å; T107-T111 HydrophobicContact CG2-CG2 3.93Å; V109-T111 PolarHBondContact O-N 2.95Å; T111-Q161 CarbonylContact O-C 3.51Å; T111-Q161 VanDerWaalsContact O-CA 3.32Å; T111-Q161 WeakPolarHBondContact O-CA 3.26Å; T111-Q161 WeakPolarHBondContact O-CG 3.43Å; T111-W162 HydrophobicContact CG2-CB 4.16Å; T111-W162 HydrophobicContact CG2-CD2 4.33Å; T111-W162 HydrophobicContact CG2-CE3 3.66Å; T111-W162 HydrophobicContact CG2-CZ3 4.41Å; T111-W162 PolarHBondContact N-O 3.47Å; T111-W162 PolarHBondContact O-N 2.82Å
112G98.6Very high98.1Very high33 Ų3342 Ų4234%0.3422%0.222SC..EExtended strand (participates in β ladder)trans-168.2158.5177.400000112V160G112-V160 CarbonylContact C-O 3.48Å; G112-V160 WeakPolarHBondContact CA-O 3.28Å
113G98.5Very high98Very high19 Ų1942.1 Ų42.120%0.19622%0.224CC..EExtended strand (participates in β ladder)trans170.5-152.6-174.400000112.5G85 S159 V160G85-G113 CarbonylContact O-C 3.54Å; G85-G113 VanDerWaalsContact O-CA 3.3Å; G85-G113 WeakPolarHBondContact O-CA 3.45Å; G113-S159 WeakPolarHBondContact O-CA 3.42Å; G113-V160 PolarHBondContact N-O 3.06Å; G113-V160 WeakPolarHBondContact O-CG2 3.44Å; G113-V160 PolarHBondContact O-N 3.47Å
114H98.7Very high98Very high88 Ų8842.2 Ų42.241%0.40722%0.224SC..EExtended strand (participates in β ladder)trans-87.8130-179.5-168.1-74.3000110.5G85 W87 G116 F182G85-H114 PolarHBondContact O-N 3.39Å; W87-H114 PolarHBondContact NE1-O 2.77Å; H114-G116 PolarHBondContact CE1-N 2.97Å; H114-G116 WeakPolarHBondContact ND1-CA 3.28Å; H114-G116 PolarHBondContact ND1-N 2.83Å; H114-G116 PolarHBondContact O-N 3.49Å; H114-F182 WeakPolarHBondContact O-CZ 3.35Å
115S98.3Very high98Very high11 Ų1142 Ų428%0.07722%0.223CC..  trans-63.3-38.3178.346.30000113.6Y118 H152 T158 F182S115-Y118 VanDerWaalsContact O-CE2 3.27Å; S115-Y118 WeakPolarHBondContact O-CE2 3.3Å; S115-Y118 VanDerWaalsContact O-CZ 3.22Å; S115-Y118 PolarHBondContact O-OH 2.87Å; S115-H152 PolarHBondContact OG-CE1 3.14Å; S115-H152 VanDerWaalsContact OG-CE1 3.29Å; S115-T158 WeakPolarHBondContact CB-O 3.48Å; S115-T158 WeakPolarHBondContact CB-OG1 3.26Å; S115-T158 PolarHBondContact N-O 3.38Å; S115-T158 WeakPolarHBondContact OG-CA 3.35Å; S115-T158 PolarHBondContact OG-N 2.93Å; S115-T158 PolarHBondContact OG-O 2.92Å; S115-T158 PolarHBondContact OG-OG1 2.95Å; S115-T158 VanDerWaalsContact OG-OG1 3.1Å; S115-F182 WeakPolarHBondContact O-CE1 3.37Å
116G97.8Very high98Very high1 Ų141.7 Ų41.71%0.0122%0.222CC..  trans112.9168.7-174.100000111.1H114H114-G116 PolarHBondContact CE1-N 2.97Å; H114-G116 WeakPolarHBondContact ND1-CA 3.28Å; H114-G116 PolarHBondContact ND1-N 2.83Å; H114-G116 PolarHBondContact O-N 3.49Å
117R98.4Very high98Very high135 Ų13541.7 Ų41.751%0.50922%0.222SC..  trans-123.5113167.2-73-166.9-169.8-97.42.8108.2E136 G155 A157R117-E136 IonicContact CZ-OE2 2.71Å; R117-E136 IonicContact NH1-OE2 2.61Å; R117-E136 IonicContact NH2-OE1 2.98Å; R117-E136 PolarHBondContact NH2-OE1 2.79Å; R117-E136 IonicContact NH2-OE2 3.09Å; R117-E136 PolarHBondContact NH2-OE2 3.12Å; R117-G155 PolarHBondContact NH1-O 3.27Å; R117-A157 HydrophobicContact CG-CB 3.87Å; R117-A157 VanDerWaalsContact CZ-CB 3.49Å
118Y97.1Very high98Very high24 Ų2442.3 Ų42.39%0.09423%0.226CC..  trans-110149.7-171.4-53.3-70.9000111.4S115 A120 I122 G155 T179 F182S115-Y118 VanDerWaalsContact O-CE2 3.27Å; S115-Y118 WeakPolarHBondContact O-CE2 3.3Å; S115-Y118 VanDerWaalsContact O-CZ 3.22Å; S115-Y118 PolarHBondContact O-OH 2.87Å; Y118-A120 PolarHBondContact O-N 2.8Å; Y118-I122 HydrophobicContact CD2-CD1 3.39Å; Y118-I122 HydrophobicContact CD2-CG1 4.4Å; Y118-I122 HydrophobicContact CE2-CD1 3.47Å; Y118-I122 VanDerWaalsContact CE2-CD1 3.47Å; Y118-I122 HydrophobicContact CG-CD1 3.94Å; Y118-G155 PolarHBondContact O-N 2.54Å; Y118-T179 HydrophobicContact CD1-CG2 3.71Å; Y118-T179 HydrophobicContact CE1-CG2 4.43Å; Y118-T179 HydrophobicContact CG-CG2 4.27Å; Y118-F182 HydrophobicContact CE1-CB 4.14Å; Y118-F182 AromaticContact CE1-CD1 3.67Å; Y118-F182 HydrophobicContact CE1-CD1 3.67Å; Y118-F182 HydrophobicContact CE1-CE1 4.42Å; Y118-F182 HydrophobicContact CE1-CG 4.09Å; Y118-F182 AromaticContact CZ-CD1 3.72Å; Y118-F182 WeakPolarHBondContact OH-CD1 3.14Å; Y118-F182 WeakPolarHBondContact OH-CE1 3.04Å
119W95.1Very high98Very high183 Ų18340 Ų4069%0.69321%0.209SC*.SBendtrans-85.740.7159.5-62.9-26.5000110.7G174 F175W119-G174 WeakPolarHBondContact O-CA 3.16Å; W119-F175 HydrophobicContact CB-CB 4.5Å; W119-F175 HydrophobicContact CE3-CD1 4.07Å; W119-F175 PolarHBondContact O-N 2.82Å
120A95.7Very high98Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-148.9146.3178.400000108.8Y118 R173 I176 T179Y118-A120 PolarHBondContact O-N 2.8Å; A120-R173 CarbonylContact C-O 3.6Å; A120-R173 WeakPolarHBondContact CA-O 3.39Å; A120-R173 WeakPolarHBondContact CB-O 3.38Å; A120-I176 HydrophobicContact CB-CD1 4.29Å; A120-T179 HydrophobicContact CB-CG2 4.14Å
121E97.2Very high98Very high46 Ų4632.7 Ų32.722%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-84.4136.2164.5-177.2-172.898.400107.7N37 V151 H152 V154 G172 R173N37-E121 PolarHBondContact ND2-OE1 3.29Å; E121-V151 HydrophobicContact CG-CG1 4.04Å; E121-H152 WeakPolarHBondContact CA-O 3.43Å; E121-V154 HydrophobicContact CB-CG2 4.27Å; E121-G172 CarbonylContact O-C 3.45Å; E121-G172 VanDerWaalsContact O-CA 3.3Å; E121-G172 WeakPolarHBondContact O-CA 3.41Å; E121-R173 PolarHBondContact N-O 2.86Å; E121-R173 PolarHBondContact O-N 3.34Å
122I98.2Very high98Very high9 Ų936.4 Ų36.45%0.04618%0.18CC..EExtended strand (participates in β ladder)trans-123.5135.9179.8-55.8175.3000108.3Y118 V151 H152 E170Y118-I122 HydrophobicContact CD2-CD1 3.39Å; Y118-I122 HydrophobicContact CD2-CG1 4.4Å; Y118-I122 HydrophobicContact CE2-CD1 3.47Å; Y118-I122 VanDerWaalsContact CE2-CD1 3.47Å; Y118-I122 HydrophobicContact CG-CD1 3.94Å; I122-V151 WeakPolarHBondContact O-CA 3.32Å; I122-H152 HydrophobicContact CB-CB 4.33Å; I122-H152 PolarHBondContact N-O 2.98Å; I122-H152 PolarHBondContact O-N 2.94Å; I122-E170 HydrophobicContact CG2-CG 3.59Å
123S98.4Very high98.1Very high4 Ų435.1 Ų35.13%0.02817%0.165CC..EExtended strand (participates in β ladder)trans-123.5123.317660.90000110.6I150 E170 Y171S123-I150 CarbonylContact C-O 3.55Å; S123-I150 VanDerWaalsContact CA-O 3.31Å; S123-I150 WeakPolarHBondContact CA-O 3.48Å; S123-E170 WeakPolarHBondContact O-CA 3.48Å; S123-Y171 PolarHBondContact N-O 2.84Å; S123-Y171 PolarHBondContact O-N 3.1Å; S123-Y171 PolarHBondContact OG-O 2.92Å; S123-Y171 VanDerWaalsContact OG-O 3.12Å
124D98.6Very high98.1Very high13 Ų1340.2 Ų40.27%0.0718%0.179CC..EExtended strand (participates in β ladder)trans-113.7115.1-177.1-70.9-66.1000109.7T149 I150 M168 E170D124-T149 CarbonylContact O-C 3.54Å; D124-T149 VanDerWaalsContact O-CA 3.23Å; D124-T149 WeakPolarHBondContact O-CA 3.47Å; D124-I150 HydrophobicContact CB-CB 4.4Å; D124-I150 PolarHBondContact N-O 3.45Å; D124-I150 PolarHBondContact O-N 2.81Å; D124-M168 HydrophobicContact CB-SD 3.9Å; D124-E170 WeakPolarHBondContact OD1-CB 3.32Å; D124-E170 WeakPolarHBondContact OD1-CG 3.36Å
125T98.8Very high98Very high1 Ų139.6 Ų39.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-107.1116.2175.5-560000110.8A41 A44 K45 D148 T149 M168 V169A41-T125 WeakPolarHBondContact CA-OG1 3.23Å; A44-T125 HydrophobicContact CB-CG2 3.6Å; K45-T125 HydrophobicContact CB-CG2 4.38Å; T125-D148 WeakPolarHBondContact CA-O 3.02Å; T125-T149 WeakPolarHBondContact OG1-CG2 3.5Å; T125-T149 PolarHBondContact OG1-OG1 2.94Å; T125-M168 VanDerWaalsContact O-CA 3.25Å; T125-M168 WeakPolarHBondContact O-CA 3.32Å; T125-M168 VanDerWaalsContact O-CB 3.25Å; T125-M168 WeakPolarHBondContact O-CB 3.33Å; T125-V169 PolarHBondContact N-O 2.92Å; T125-V169 PolarHBondContact O-N 2.66Å
126I98.7Very high98Very high0 Ų045.3 Ų45.30%020%0.2CC..EExtended strand (participates in β ladder)trans-75.2127.6-172.2-55.5176.2000110.6S128 F131 P146 G147 D148 I150 M168I126-S128 VanDerWaalsContact CG2-O 3.27Å; I126-S128 WeakPolarHBondContact CG2-O 3.4Å; I126-F131 HydrophobicContact CD1-CB 3.6Å; I126-F131 HydrophobicContact CG1-CB 4.49Å; I126-P146 HydrophobicContact CG2-CB 4.47Å; I126-P146 HydrophobicContact CG2-CG 4.24Å; I126-P146 WeakPolarHBondContact O-CA 3.24Å; I126-G147 PolarHBondContact O-N 3.48Å; I126-D148 PolarHBondContact N-O 3.42Å; I126-I150 HydrophobicContact CD1-CD1 3.68Å; I126-I150 HydrophobicContact CG1-CD1 3.84Å; I126-M168 HydrophobicContact CG1-CE 4.47Å
127I98.6Very high98Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-92.9-43.2172.5-61.3-60.8000111A44 G49 H52 A55 F56 P146 W167 V169A44-I127 HydrophobicContact CB-CD1 4.09Å; A44-I127 WeakPolarHBondContact O-CD1 3.49Å; G49-I127 PolarHBondContact N-O 2.88Å; H52-I127 HydrophobicContact CB-CG2 4.43Å; A55-I127 HydrophobicContact CB-CG2 3.54Å; F56-I127 HydrophobicContact CE1-CG1 4.06Å; I127-P146 WeakPolarHBondContact O-CB 3.44Å; I127-W167 WeakPolarHBondContact CA-O 3.49Å; I127-W167 WeakPolarHBondContact CB-O 3.21Å; I127-W167 PolarHBondContact N-O 3.34Å; I127-V169 HydrophobicContact CD1-CG2 4.36Å; I127-V169 HydrophobicContact CG1-CG2 4.29Å
128S98.5Very high98Very high21 Ų2145.8 Ų45.815%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-149.2164.5178.869.10000111.5I126 G165 T166 W167I126-S128 VanDerWaalsContact CG2-O 3.27Å; I126-S128 WeakPolarHBondContact CG2-O 3.4Å; S128-G165 PolarHBondContact OG-O 3.29Å; S128-T166 VanDerWaalsContact O-CA 3.26Å; S128-T166 WeakPolarHBondContact O-CA 3.35Å; S128-T166 WeakPolarHBondContact O-CG2 3.34Å; S128-W167 PolarHBondContact N-O 2.76Å; S128-W167 VanDerWaalsContact N-O 3.14Å; S128-W167 PolarHBondContact O-N 2.85Å; S128-W167 VanDerWaalsContact O-N 3.08Å
129G98Very high98.1Very high25 Ų2551.1 Ų51.126%0.25827%0.271SS..SBendtrans78.2-155177.800000114P146G129-P146 WeakPolarHBondContact O-CD 3.14Å
130T98.5Very high98.2Very high47 Ų4750.4 Ų50.429%0.28827%0.272SS..  trans-139.6141-178.165.10000111.4Y144 Y145 S163 T166T130-Y144 WeakPolarHBondContact CA-O 3.35Å; T130-Y145 HydrophobicContact CG2-CD1 4.03Å; T130-Y145 HydrophobicContact CG2-CE1 4.01Å; T130-S163 PolarHBondContact N-OG 2.9Å; T130-S163 VanDerWaalsContact N-OG 3.16Å; T130-S163 PolarHBondContact O-N 3.23Å; T130-S163 VanDerWaalsContact O-N 3.12Å; T130-S163 PolarHBondContact O-OG 2.99Å; T130-S163 WeakPolarHBondContact OG1-CB 3.33Å; T130-S163 PolarHBondContact OG1-OG 3Å; T130-T166 PolarHBondContact N-OG1 3.27Å; T130-T166 PolarHBondContact O-OG1 3.01Å; T130-T166 VanDerWaalsContact O-OG1 3.11Å
131F98.8Very high98.3Very high4 Ų452.8 Ų52.82%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-117.3130.3175.7-177.1-89.8000109.3I126 Q133 V143 Y144 I150 V160 W162 M168I126-F131 HydrophobicContact CD1-CB 3.6Å; I126-F131 HydrophobicContact CG1-CB 4.49Å; F131-Q133 HydrophobicContact CD1-CB 4.34Å; F131-Q133 HydrophobicContact CE1-CB 3.82Å; F131-Q133 HydrophobicContact CE1-CG 4.16Å; F131-V143 CarbonylContact O-C 3.59Å; F131-V143 WeakPolarHBondContact O-CA 3.35Å; F131-Y144 AromaticContact CD1-CD2 4Å; F131-Y144 HydrophobicContact CD1-CD2 4Å; F131-Y144 PolarHBondContact N-O 3.13Å; F131-Y144 VanDerWaalsContact N-O 3.09Å; F131-Y144 PolarHBondContact O-N 3.44Å; F131-I150 HydrophobicContact CB-CD1 4.49Å; F131-I150 HydrophobicContact CD1-CD1 4.17Å; F131-I150 HydrophobicContact CD1-CG1 4.04Å; F131-I150 HydrophobicContact CE1-CG1 4.26Å; F131-I150 HydrophobicContact CE1-CG2 4.19Å; F131-I150 HydrophobicContact CG-CD1 4.41Å; F131-V160 HydrophobicContact CE1-CG1 4.2Å; F131-V160 HydrophobicContact CE2-CB 4.27Å; F131-V160 HydrophobicContact CE2-CG1 4.22Å; F131-V160 HydrophobicContact CZ-CB 4.01Å; F131-V160 HydrophobicContact CZ-CG1 3.51Å; F131-W162 AromaticContact CD2-CD1 3.57Å; F131-W162 HydrophobicContact CD2-CD2 4.22Å; F131-W162 AromaticContact CD2-CE2 3.69Å; F131-W162 HydrophobicContact CD2-CG 4.15Å; F131-W162 HydrophobicContact CD2-CZ2 4.33Å; F131-W162 AromaticContact CD2-NE1 3.25Å; F131-W162 HydrophobicContact CE2-CD2 4.2Å; F131-W162 AromaticContact CE2-CE2 3.41Å; F131-W162 VanDerWaalsContact CE2-CE2 3.41Å; F131-W162 HydrophobicContact CE2-CH2 4.49Å; F131-W162 AromaticContact CE2-CZ2 3.59Å; F131-W162 HydrophobicContact CE2-CZ2 3.59Å; F131-W162 AromaticContact CE2-NE1 3.38Å; F131-M168 HydrophobicContact CD2-CE 4.1Å
132R98.8Very high98.4Very high101 Ų10155.8 Ų55.838%0.38130%0.303SS..EExtended strand (participates in β ladder)trans-112.7130.4174.3-180-173.5-63.3-85.8-4.1109.4S141 E142 V143 V160 Q161R132-S141 PolarHBondContact NH1-OG 3.19Å; R132-E142 CarbonylContact C-O 3.47Å; R132-E142 VanDerWaalsContact CA-O 3.24Å; R132-E142 WeakPolarHBondContact CA-O 3.36Å; R132-E142 WeakPolarHBondContact CG-O 3.46Å; R132-V143 HydrophobicContact CB-CG2 4.32Å; R132-V143 HydrophobicContact CG-CG2 4.21Å; R132-V143 VanDerWaalsContact CZ-CG2 3.43Å; R132-V160 CarbonylContact O-C 3.43Å; R132-V160 WeakPolarHBondContact O-CA 3.1Å; R132-Q161 HydrophobicContact CB-CB 4.24Å; R132-Q161 PolarHBondContact N-O 2.59Å; R132-Q161 PolarHBondContact O-N 2.93Å
133Q98.7Very high98.4Very high5 Ų557.4 Ų57.42%0.02331%0.313CS..EExtended strand (participates in β ladder)trans-117.8135.5176.1-157.5-177.153.800110.6F131 S141 E142 Y144 T158F131-Q133 HydrophobicContact CD1-CB 4.34Å; F131-Q133 HydrophobicContact CE1-CB 3.82Å; F131-Q133 HydrophobicContact CE1-CG 4.16Å; Q133-S141 CarbonylContact O-C 3.55Å; Q133-S141 VanDerWaalsContact O-CA 3.23Å; Q133-S141 WeakPolarHBondContact O-CA 3.33Å; Q133-S141 WeakPolarHBondContact O-CB 3.26Å; Q133-E142 PolarHBondContact N-O 2.97Å; Q133-E142 PolarHBondContact O-N 2.96Å; Q133-Y144 HydrophobicContact CB-CE2 3.9Å; Q133-T158 HydrophobicContact CG-CG2 3.91Å
134W98.7Very high98.4Very high127 Ų12759.3 Ų59.348%0.48132%0.32SS..EExtended strand (participates in β ladder)trans-123.6109.4169.2174.126.7000109.3T138 T158 S159W134-T138 VanDerWaalsContact CD1-OG1 3.26Å; W134-T138 PolarHBondContact NE1-O 3.48Å; W134-T138 PolarHBondContact NE1-OG1 3.01Å; W134-T158 CarbonylContact O-C 3.52Å; W134-T158 WeakPolarHBondContact O-CA 3.3Å; W134-T158 WeakPolarHBondContact O-CB 3.43Å; W134-S159 PolarHBondContact N-O 2.84Å; W134-S159 PolarHBondContact O-N 3.3Å
135K98.2Very high98.4Very high75 Ų7564.9 Ų64.933%0.32634%0.341SS..EExtended strand (participates in β ladder)trans-75.3140.5-178-64.6-170.4177.4-117.90112.1T138 E156 T158K135-T138 HydrophobicContact CB-CG2 4.21Å; K135-T138 PolarHBondContact O-N 3.48Å; K135-T138 PolarHBondContact O-OG1 3.32Å; K135-E156 WeakPolarHBondContact CD-OE1 3.43Å; K135-E156 WeakPolarHBondContact CE-OE1 3.12Å; K135-E156 IonicContact NZ-OE1 3.16Å; K135-E156 PolarHBondContact NZ-OE1 3.39Å; K135-E156 IonicContact NZ-OE2 3Å; K135-T158 HydrophobicContact CB-CG2 4.48Å; K135-T158 HydrophobicContact CG-CG2 4Å
136E98.3Very high98.4Very high130 Ų13067.4 Ų67.461%0.60736%0.357SS*.THydrogen-bonded Turntrans-51.7138.1173.6-178.7178.4-144.400111.4R117 T138 A157R117-E136 IonicContact CZ-OE2 2.71Å; R117-E136 IonicContact NH1-OE2 2.61Å; R117-E136 IonicContact NH2-OE1 2.98Å; R117-E136 PolarHBondContact NH2-OE1 2.79Å; R117-E136 IonicContact NH2-OE2 3.09Å; R117-E136 PolarHBondContact NH2-OE2 3.12Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.94Å; E136-A157 WeakPolarHBondContact CB-O 3.34Å; E136-A157 PolarHBondContact N-O 3.2Å
137G97.9Very high98.3Very high86 Ų8667.7 Ų67.789%0.88736%0.36SS*.THydrogen-bonded Turntrans81.8-3.3179.800000115.4
138T98.1Very high98.3Very high61 Ų6170.5 Ų70.537%0.37438%0.375SS..  trans-105.5167.9176.274.30000112W134 K135 E136 K140W134-T138 VanDerWaalsContact CD1-OG1 3.26Å; W134-T138 PolarHBondContact NE1-O 3.48Å; W134-T138 PolarHBondContact NE1-OG1 3.01Å; K135-T138 HydrophobicContact CB-CG2 4.21Å; K135-T138 PolarHBondContact O-N 3.48Å; K135-T138 PolarHBondContact O-OG1 3.32Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.94Å; T138-K140 PolarHBondContact OG1-O 3.34Å
139T98Very high98.3Very high136 Ų13671.9 Ų71.983%0.83438%0.383SS*.SBendtrans-117.514.1176.357.20000113
140K97.7Very high98.3Very high167 Ų16770.9 Ų70.973%0.72637%0.372SS*.  trans-134.1151-177.6-64-177.3-178.3178.50109.8T138T138-K140 PolarHBondContact OG1-O 3.34Å
141S98Very high98.3Very high50 Ų5071.4 Ų71.435%0.3538%0.375SS..  trans-111.7155.6172.557.70000110.7R132 Q133R132-S141 PolarHBondContact NH1-OG 3.19Å; Q133-S141 CarbonylContact O-C 3.55Å; Q133-S141 VanDerWaalsContact O-CA 3.23Å; Q133-S141 WeakPolarHBondContact O-CA 3.33Å; Q133-S141 WeakPolarHBondContact O-CB 3.26Å
142E98.3Very high98.3Very high110 Ų11071.7 Ų71.751%0.51438%0.376SS..EExtended strand (participates in β ladder)trans-113.6148.4174.7-65.3176.2171.600109.2R132 Q133 Y144R132-E142 CarbonylContact C-O 3.47Å; R132-E142 VanDerWaalsContact CA-O 3.24Å; R132-E142 WeakPolarHBondContact CA-O 3.36Å; R132-E142 WeakPolarHBondContact CG-O 3.46Å; Q133-E142 PolarHBondContact N-O 2.97Å; Q133-E142 PolarHBondContact O-N 2.96Å; E142-Y144 HydrophobicContact CB-CE2 3.84Å; E142-Y144 PolarHBondContact OE2-OH 2.92Å
143V98.6Very high98.2Very high43 Ų4371.6 Ų71.626%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-119.9131.6178.9-177.30000108.3F131 R132 Y145F131-V143 CarbonylContact O-C 3.59Å; F131-V143 WeakPolarHBondContact O-CA 3.35Å; R132-V143 HydrophobicContact CB-CG2 4.32Å; R132-V143 HydrophobicContact CG-CG2 4.21Å; R132-V143 VanDerWaalsContact CZ-CG2 3.43Å; V143-Y145 HydrophobicContact CB-CE2 4.44Å; V143-Y145 HydrophobicContact CG1-CE1 4.4Å; V143-Y145 HydrophobicContact CG1-CE2 4.1Å
144Y98.6Very high98.1Very high43 Ų4375.5 Ų75.517%0.16940%0.404CS..EExtended strand (participates in β ladder)trans-114.4149.9-177.9-59.7-95000109.7T130 F131 Q133 E142 D148 I150T130-Y144 WeakPolarHBondContact CA-O 3.35Å; F131-Y144 AromaticContact CD1-CD2 4Å; F131-Y144 HydrophobicContact CD1-CD2 4Å; F131-Y144 PolarHBondContact N-O 3.13Å; F131-Y144 VanDerWaalsContact N-O 3.09Å; F131-Y144 PolarHBondContact O-N 3.44Å; Q133-Y144 HydrophobicContact CB-CE2 3.9Å; E142-Y144 HydrophobicContact CB-CE2 3.84Å; E142-Y144 PolarHBondContact OE2-OH 2.92Å; Y144-D148 HydrophobicContact CD1-CB 4.15Å; Y144-I150 HydrophobicContact CD1-CD1 4.19Å; Y144-I150 HydrophobicContact CD1-CG1 3.69Å; Y144-I150 HydrophobicContact CD2-CD1 4.47Å; Y144-I150 HydrophobicContact CD2-CG1 3.86Å; Y144-I150 HydrophobicContact CE1-CG1 4Å; Y144-I150 HydrophobicContact CE2-CG1 4.19Å; Y144-I150 HydrophobicContact CG-CD1 3.92Å; Y144-I150 HydrophobicContact CG-CG1 3.61Å
145Y98.6Very high98Very high131 Ų13170.9 Ų70.951%0.51440%0.396SS..  trans-125.9169.8-169.7-65.2-84.5000111.5T130 V143 G147 D148T130-Y145 HydrophobicContact CG2-CD1 4.03Å; T130-Y145 HydrophobicContact CG2-CE1 4.01Å; V143-Y145 HydrophobicContact CB-CE2 4.44Å; V143-Y145 HydrophobicContact CG1-CE1 4.4Å; V143-Y145 HydrophobicContact CG1-CE2 4.1Å; Y145-G147 PolarHBondContact O-N 3.31Å; Y145-D148 PolarHBondContact N-OD2 3.5Å; Y145-D148 VanDerWaalsContact O-CB 3.26Å; Y145-D148 WeakPolarHBondContact O-CB 3.48Å; Y145-D148 PolarHBondContact O-N 3.05Å
146P98.6Very high97.9Very high53 Ų5369 Ų6934%0.34439%0.388SS..THydrogen-bonded Turntrans-52.5127.4177.4-30.440.3000112.9A48 I126 I127 G129A48-P146 HydrophobicContact CB-CB 4.24Å; I126-P146 HydrophobicContact CG2-CB 4.47Å; I126-P146 HydrophobicContact CG2-CG 4.24Å; I126-P146 WeakPolarHBondContact O-CA 3.24Å; I127-P146 WeakPolarHBondContact O-CB 3.44Å; G129-P146 WeakPolarHBondContact O-CD 3.14Å
147G97.8Very high98Very high6 Ų663.1 Ų63.16%0.06236%0.362CS..THydrogen-bonded Turntrans92.6-6.6-176.800000114.7K45 A48 I126 Y145K45-G147 WeakPolarHBondContact CD-O 3.26Å; K45-G147 VanDerWaalsContact CE-O 3.26Å; K45-G147 WeakPolarHBondContact CE-O 3.46Å; K45-G147 PolarHBondContact NZ-O 2.86Å; A48-G147 VanDerWaalsContact CB-N 3.34Å; I126-G147 PolarHBondContact O-N 3.48Å; Y145-G147 PolarHBondContact O-N 3.31Å
148D98.4Very high98Very high59 Ų5959.2 Ų59.232%0.31632%0.321SS..  trans-78.3148.1166.6-64.1-29000110.4T125 I126 Y144 Y145T125-D148 WeakPolarHBondContact CA-O 3.02Å; I126-D148 PolarHBondContact N-O 3.42Å; Y144-D148 HydrophobicContact CD1-CB 4.15Å; Y145-D148 PolarHBondContact N-OD2 3.5Å; Y145-D148 VanDerWaalsContact O-CB 3.26Å; Y145-D148 WeakPolarHBondContact O-CB 3.48Å; Y145-D148 PolarHBondContact O-N 3.05Å
149T98.4Very high98Very high51 Ų5158.8 Ų58.831%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-118.5124173.2-57.60000108.9A41 D124 T125A41-T149 HydrophobicContact CB-CG2 4.08Å; D124-T149 CarbonylContact O-C 3.54Å; D124-T149 VanDerWaalsContact O-CA 3.23Å; D124-T149 WeakPolarHBondContact O-CA 3.47Å; T125-T149 WeakPolarHBondContact OG1-CG2 3.5Å; T125-T149 PolarHBondContact OG1-OG1 2.94Å
150I98Very high98Very high4 Ų452.6 Ų52.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-99.2129.9176.5-56.588.9000107.3S123 D124 I126 F131 Y144S123-I150 CarbonylContact C-O 3.55Å; S123-I150 VanDerWaalsContact CA-O 3.31Å; S123-I150 WeakPolarHBondContact CA-O 3.48Å; D124-I150 HydrophobicContact CB-CB 4.4Å; D124-I150 PolarHBondContact N-O 3.45Å; D124-I150 PolarHBondContact O-N 2.81Å; I126-I150 HydrophobicContact CD1-CD1 3.68Å; I126-I150 HydrophobicContact CG1-CD1 3.84Å; F131-I150 HydrophobicContact CB-CD1 4.49Å; F131-I150 HydrophobicContact CD1-CD1 4.17Å; F131-I150 HydrophobicContact CD1-CG1 4.04Å; F131-I150 HydrophobicContact CE1-CG1 4.26Å; F131-I150 HydrophobicContact CE1-CG2 4.19Å; F131-I150 HydrophobicContact CG-CD1 4.41Å; Y144-I150 HydrophobicContact CD1-CD1 4.19Å; Y144-I150 HydrophobicContact CD1-CG1 3.69Å; Y144-I150 HydrophobicContact CD2-CD1 4.47Å; Y144-I150 HydrophobicContact CD2-CG1 3.86Å; Y144-I150 HydrophobicContact CE1-CG1 4Å; Y144-I150 HydrophobicContact CE2-CG1 4.19Å; Y144-I150 HydrophobicContact CG-CD1 3.92Å; Y144-I150 HydrophobicContact CG-CG1 3.61Å
151V97.9Very high98.1Very high58 Ų5848.9 Ų48.935%0.35227%0.267SS..EExtended strand (participates in β ladder)trans-108.5123.8174-178.10000108.3E121 I122E121-V151 HydrophobicContact CG-CG1 4.04Å; I122-V151 WeakPolarHBondContact O-CA 3.32Å
152H97.9Very high98.1Very high9 Ų947.1 Ų47.14%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-106.6108.8174.5-171.395.1000108.6S115 E121 I122 E156S115-H152 PolarHBondContact OG-CE1 3.14Å; S115-H152 VanDerWaalsContact OG-CE1 3.29Å; E121-H152 WeakPolarHBondContact CA-O 3.43Å; I122-H152 HydrophobicContact CB-CB 4.33Å; I122-H152 PolarHBondContact N-O 2.98Å; I122-H152 PolarHBondContact O-N 2.94Å; H152-E156 PolarHBondContact CE1-O 3.36Å; H152-E156 PolarHBondContact NE2-O 3.18Å
153E97.4Very high98.1Very high99 Ų9943.2 Ų43.246%0.46324%0.238SC..  trans-74.3159.5-171.2-67-71.3165.300112.3G155 E156E153-G155 PolarHBondContact O-N 2.92Å; E153-G155 VanDerWaalsContact O-N 3.11Å; E153-E156 HydrophobicContact CB-CB 4.23Å; E153-E156 PolarHBondContact N-OE2 2.6Å; E153-E156 VanDerWaalsContact N-OE2 3.15Å; E153-E156 VanDerWaalsContact O-CB 3.32Å; E153-E156 WeakPolarHBondContact O-CB 3Å; E153-E156 PolarHBondContact O-N 3.27Å
154V96.4Very high98.1Very high88 Ų8843.6 Ų43.653%0.53325%0.245SC..THydrogen-bonded Turntrans-56.3120.5178179.50000110.6E121 E156E121-V154 HydrophobicContact CB-CG2 4.27Å; V154-E156 VanDerWaalsContact C-N 3.27Å; V154-E156 PolarHBondContact O-N 2.95Å
155G96.6Very high98.1Very high30 Ų3042.9 Ų42.931%0.30925%0.251SS..THydrogen-bonded Turntrans77.40179.400000115.5R117 Y118 E153R117-G155 PolarHBondContact NH1-O 3.27Å; Y118-G155 PolarHBondContact O-N 2.54Å; E153-G155 PolarHBondContact O-N 2.92Å; E153-G155 VanDerWaalsContact O-N 3.11Å
156E97.5Very high98.1Very high36 Ų3636.6 Ų36.617%0.16823%0.227CC..  trans-64.2151.3172-172.7172.6-166.100110.6K135 H152 E153 V154 T158K135-E156 WeakPolarHBondContact CD-OE1 3.43Å; K135-E156 WeakPolarHBondContact CE-OE1 3.12Å; K135-E156 IonicContact NZ-OE1 3.16Å; K135-E156 PolarHBondContact NZ-OE1 3.39Å; K135-E156 IonicContact NZ-OE2 3Å; H152-E156 PolarHBondContact CE1-O 3.36Å; H152-E156 PolarHBondContact NE2-O 3.18Å; E153-E156 HydrophobicContact CB-CB 4.23Å; E153-E156 PolarHBondContact N-OE2 2.6Å; E153-E156 VanDerWaalsContact N-OE2 3.15Å; E153-E156 VanDerWaalsContact O-CB 3.32Å; E153-E156 WeakPolarHBondContact O-CB 3Å; E153-E156 PolarHBondContact O-N 3.27Å; V154-E156 VanDerWaalsContact C-N 3.27Å; V154-E156 PolarHBondContact O-N 2.95Å; E156-T158 HydrophobicContact CG-CG2 3.99Å
157A98.4Very high98.1Very high6 Ų635.6 Ų35.65%0.0522%0.216CC..  trans-131.2131.9168.600000109.9R117 E136R117-A157 HydrophobicContact CG-CB 3.87Å; R117-A157 VanDerWaalsContact CZ-CB 3.49Å; E136-A157 WeakPolarHBondContact CB-O 3.34Å; E136-A157 PolarHBondContact N-O 3.2Å
158T98.6Very high98.1Very high4 Ų435.3 Ų35.33%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-135.6151.9177.268.50000110.7S115 Q133 W134 K135 E156 V160S115-T158 WeakPolarHBondContact CB-O 3.48Å; S115-T158 WeakPolarHBondContact CB-OG1 3.26Å; S115-T158 PolarHBondContact N-O 3.38Å; S115-T158 WeakPolarHBondContact OG-CA 3.35Å; S115-T158 PolarHBondContact OG-N 2.93Å; S115-T158 PolarHBondContact OG-O 2.92Å; S115-T158 PolarHBondContact OG-OG1 2.95Å; S115-T158 VanDerWaalsContact OG-OG1 3.1Å; Q133-T158 HydrophobicContact CG-CG2 3.91Å; W134-T158 CarbonylContact O-C 3.52Å; W134-T158 WeakPolarHBondContact O-CA 3.3Å; W134-T158 WeakPolarHBondContact O-CB 3.43Å; K135-T158 HydrophobicContact CB-CG2 4.48Å; K135-T158 HydrophobicContact CG-CG2 4Å; E156-T158 HydrophobicContact CG-CG2 3.99Å; T158-V160 WeakPolarHBondContact OG1-CG1 3.33Å
159S98.6Very high98.2Very high52 Ų5232.5 Ų32.536%0.36420%0.198SC..EExtended strand (participates in β ladder)trans-86.3134.3162.4175.20000108.4G113 W134G113-S159 WeakPolarHBondContact O-CA 3.42Å; W134-S159 PolarHBondContact N-O 2.84Å; W134-S159 PolarHBondContact O-N 3.3Å
160V98.7Very high98.2Very high5 Ų531.5 Ų31.53%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-126147-171.5-69.10000110.2G112 G113 F131 R132 T158 W162G112-V160 CarbonylContact C-O 3.48Å; G112-V160 WeakPolarHBondContact CA-O 3.28Å; G113-V160 PolarHBondContact N-O 3.06Å; G113-V160 WeakPolarHBondContact O-CG2 3.44Å; G113-V160 PolarHBondContact O-N 3.47Å; F131-V160 HydrophobicContact CE1-CG1 4.2Å; F131-V160 HydrophobicContact CE2-CB 4.27Å; F131-V160 HydrophobicContact CE2-CG1 4.22Å; F131-V160 HydrophobicContact CZ-CB 4.01Å; F131-V160 HydrophobicContact CZ-CG1 3.51Å; R132-V160 CarbonylContact O-C 3.43Å; R132-V160 WeakPolarHBondContact O-CA 3.1Å; T158-V160 WeakPolarHBondContact OG1-CG1 3.33Å; V160-W162 HydrophobicContact CB-CH2 3.96Å; V160-W162 HydrophobicContact CB-CZ2 4.49Å; V160-W162 HydrophobicContact CB-CZ3 3.99Å; V160-W162 HydrophobicContact CG2-CE3 4.37Å; V160-W162 HydrophobicContact CG2-CH2 3.38Å; V160-W162 HydrophobicContact CG2-CZ2 4.32Å; V160-W162 HydrophobicContact CG2-CZ3 3.41Å; V160-W162 VanDerWaalsContact CG2-CZ3 3.41Å
161Q98.8Very high98.2Very high89 Ų8931.3 Ų31.342%0.41619%0.189SC..EExtended strand (participates in β ladder)trans-143.5131.1172.8179.4-168.84.200109.3T111 R132T111-Q161 CarbonylContact O-C 3.51Å; T111-Q161 VanDerWaalsContact O-CA 3.32Å; T111-Q161 WeakPolarHBondContact O-CA 3.26Å; T111-Q161 WeakPolarHBondContact O-CG 3.43Å; R132-Q161 HydrophobicContact CB-CB 4.24Å; R132-Q161 PolarHBondContact N-O 2.59Å; R132-Q161 PolarHBondContact O-N 2.93Å
162W98.8Very high98.2Very high13 Ų1328.6 Ų28.65%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-107.8134.3170.4-59.5-103.4000108.8W87 F105 T107 T111 F131 V160 T166W87-W162 HydrophobicContact CB-CZ3 3.95Å; W87-W162 AromaticContact CD1-CZ3 3.88Å; W87-W162 HydrophobicContact CD2-CH2 4.02Å; W87-W162 AromaticContact CD2-CZ3 3.93Å; W87-W162 HydrophobicContact CD2-CZ3 3.93Å; W87-W162 HydrophobicContact CG-CH2 4.15Å; W87-W162 AromaticContact CG-CZ3 3.64Å; W87-W162 HydrophobicContact CG-CZ3 3.64Å; F105-W162 HydrophobicContact CE1-CD2 4.35Å; F105-W162 AromaticContact CE1-CE2 3.68Å; F105-W162 AromaticContact CE1-CZ2 3.83Å; F105-W162 HydrophobicContact CE1-CZ2 3.83Å; F105-W162 AromaticContact CE1-NE1 3.63Å; F105-W162 HydrophobicContact CZ-CZ2 4.39Å; T107-W162 HydrophobicContact CG2-CB 3.68Å; T107-W162 HydrophobicContact CG2-CG 4.45Å; T111-W162 HydrophobicContact CG2-CB 4.16Å; T111-W162 HydrophobicContact CG2-CD2 4.33Å; T111-W162 HydrophobicContact CG2-CE3 3.66Å; T111-W162 HydrophobicContact CG2-CZ3 4.41Å; T111-W162 PolarHBondContact N-O 3.47Å; T111-W162 PolarHBondContact O-N 2.82Å; F131-W162 AromaticContact CD2-CD1 3.57Å; F131-W162 HydrophobicContact CD2-CD2 4.22Å; F131-W162 AromaticContact CD2-CE2 3.69Å; F131-W162 HydrophobicContact CD2-CG 4.15Å; F131-W162 HydrophobicContact CD2-CZ2 4.33Å; F131-W162 AromaticContact CD2-NE1 3.25Å; F131-W162 HydrophobicContact CE2-CD2 4.2Å; F131-W162 AromaticContact CE2-CE2 3.41Å; F131-W162 VanDerWaalsContact CE2-CE2 3.41Å; F131-W162 HydrophobicContact CE2-CH2 4.49Å; F131-W162 AromaticContact CE2-CZ2 3.59Å; F131-W162 HydrophobicContact CE2-CZ2 3.59Å; F131-W162 AromaticContact CE2-NE1 3.38Å; V160-W162 HydrophobicContact CB-CH2 3.96Å; V160-W162 HydrophobicContact CB-CZ2 4.49Å; V160-W162 HydrophobicContact CB-CZ3 3.99Å; V160-W162 HydrophobicContact CG2-CE3 4.37Å; V160-W162 HydrophobicContact CG2-CH2 3.38Å; V160-W162 HydrophobicContact CG2-CZ2 4.32Å; V160-W162 HydrophobicContact CG2-CZ3 3.41Å; V160-W162 VanDerWaalsContact CG2-CZ3 3.41Å; W162-T166 HydrophobicContact CB-CG2 4.43Å
163S98.4Very high98.1Very high29 Ų2930 Ų3020%0.20318%0.177CC..  trans-76.3158.8168.662.10000111.1D110 T130 G165 T166D110-S163 WeakPolarHBondContact OD1-CA 3.27Å; T130-S163 PolarHBondContact N-OG 2.9Å; T130-S163 VanDerWaalsContact N-OG 3.16Å; T130-S163 PolarHBondContact O-N 3.23Å; T130-S163 VanDerWaalsContact O-N 3.12Å; T130-S163 PolarHBondContact O-OG 2.99Å; T130-S163 WeakPolarHBondContact OG1-CB 3.33Å; T130-S163 PolarHBondContact OG1-OG 3Å; S163-G165 PolarHBondContact O-N 2.91Å; S163-T166 PolarHBondContact N-OG1 3.24Å; S163-T166 VanDerWaalsContact O-CB 3.26Å; S163-T166 WeakPolarHBondContact O-CB 3.44Å; S163-T166 PolarHBondContact O-N 3.2Å; S163-T166 VanDerWaalsContact O-N 3.17Å; S163-T166 PolarHBondContact O-OG1 2.81Å; S163-T166 PolarHBondContact OG-OG1 3.23Å; S163-T166 VanDerWaalsContact OG-OG1 3.09Å
164A98.3Very high97.9Very high50 Ų5025.8 Ų25.841%0.41316%0.16SC..THydrogen-bonded Turntrans-52133.3170.900000111.6A108 D110A108-A164 WeakPolarHBondContact O-CB 3.48Å; D110-A164 PolarHBondContact OD1-N 2.72Å
165G97.8Very high97.8Very high28 Ų2826.4 Ų26.429%0.28916%0.156SC..THydrogen-bonded Turntrans80.518.3-178.100000114.5T107 S128 S163T107-G165 WeakPolarHBondContact O-CA 3.35Å; T107-G165 PolarHBondContact O-N 3.43Å; S128-G165 PolarHBondContact OG-O 3.29Å; S163-G165 PolarHBondContact O-N 2.91Å
166T98.8Very high97.8Very high0 Ų025.1 Ų25.10%014%0.142CC..EExtended strand (participates in β ladder)trans-86.6123.3175.4-53.20000110.5G106 T107 S128 T130 W162 S163 M168G106-T166 CarbonylContact C-O 3.58Å; G106-T166 WeakPolarHBondContact CA-O 3.23Å; T107-T166 PolarHBondContact N-O 2.99Å; T107-T166 PolarHBondContact O-N 2.82Å; S128-T166 VanDerWaalsContact O-CA 3.26Å; S128-T166 WeakPolarHBondContact O-CA 3.35Å; S128-T166 WeakPolarHBondContact O-CG2 3.34Å; T130-T166 PolarHBondContact N-OG1 3.27Å; T130-T166 PolarHBondContact O-OG1 3.01Å; T130-T166 VanDerWaalsContact O-OG1 3.11Å; W162-T166 HydrophobicContact CB-CG2 4.43Å; S163-T166 PolarHBondContact N-OG1 3.24Å; S163-T166 VanDerWaalsContact O-CB 3.26Å; S163-T166 WeakPolarHBondContact O-CB 3.44Å; S163-T166 PolarHBondContact O-N 3.2Å; S163-T166 VanDerWaalsContact O-N 3.17Å; S163-T166 PolarHBondContact O-OG1 2.81Å; S163-T166 PolarHBondContact OG-OG1 3.23Å; S163-T166 VanDerWaalsContact OG-OG1 3.09Å; T166-M168 HydrophobicContact CG2-CE 3.61Å
167W98.8Very high97.7Very high31 Ų3125.4 Ų25.412%0.11715%0.147CC..EExtended strand (participates in β ladder)trans-136.3140.5-176.8-64.4102.9000109.6H52 F56 W79 F105 G106 I127 S128H52-W167 HydrophobicContact CB-CB 3.93Å; H52-W167 HydrophobicContact CB-CG 3.89Å; H52-W167 AromaticContact CD2-CD1 3.33Å; H52-W167 AromaticContact CD2-CD2 3.62Å; H52-W167 AromaticContact CD2-CE2 3.39Å; H52-W167 AromaticContact CD2-CG 3.6Å; H52-W167 AromaticContact CD2-NE1 3.18Å; H52-W167 PolarHBondContact CD2-NE1 2.61Å; H52-W167 AromaticContact CE1-NE1 3.91Å; H52-W167 AromaticContact CG-CD1 3.48Å; H52-W167 VanDerWaalsContact CG-CD1 3.48Å; H52-W167 AromaticContact CG-CG 3.9Å; H52-W167 AromaticContact CG-NE1 3.74Å; H52-W167 AromaticContact NE2-CD1 3.89Å; H52-W167 AromaticContact NE2-CE2 3.59Å; H52-W167 AromaticContact NE2-CZ2 3.92Å; H52-W167 AromaticContact NE2-NE1 3.3Å; H52-W167 PolarHBondContact NE2-NE1 2.93Å; F56-W167 HydrophobicContact CE2-CB 4.17Å; F56-W167 HydrophobicContact CE2-CD2 4.19Å; F56-W167 AromaticContact CE2-CE3 3.77Å; F56-W167 HydrophobicContact CE2-CE3 3.77Å; F56-W167 HydrophobicContact CE2-CG 4.39Å; F56-W167 HydrophobicContact CZ-CB 3.73Å; F56-W167 HydrophobicContact CZ-CD2 4.47Å; F56-W167 HydrophobicContact CZ-CE3 4.06Å; F56-W167 HydrophobicContact CZ-CG 4.4Å; W79-W167 HydrophobicContact CE3-CZ3 4.29Å; W79-W167 AromaticContact CH2-CE3 3.97Å; W79-W167 HydrophobicContact CH2-CE3 3.97Å; W79-W167 AromaticContact CH2-CZ3 3.58Å; W79-W167 HydrophobicContact CH2-CZ3 3.58Å; W79-W167 HydrophobicContact CZ2-CZ3 4.35Å; W79-W167 HydrophobicContact CZ3-CE3 4.26Å; W79-W167 HydrophobicContact CZ3-CH2 4.49Å; W79-W167 AromaticContact CZ3-CZ3 3.55Å; W79-W167 HydrophobicContact CZ3-CZ3 3.55Å; F105-W167 CarbonylContact O-C 3.44Å; F105-W167 WeakPolarHBondContact O-CA 3.44Å; G106-W167 VanDerWaalsContact CA-CE3 3.44Å; I127-W167 WeakPolarHBondContact CA-O 3.49Å; I127-W167 WeakPolarHBondContact CB-O 3.21Å; I127-W167 PolarHBondContact N-O 3.34Å; S128-W167 PolarHBondContact N-O 2.76Å; S128-W167 VanDerWaalsContact N-O 3.14Å; S128-W167 PolarHBondContact O-N 2.85Å; S128-W167 VanDerWaalsContact O-N 3.08Å
168M98.7Very high97.4Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-150.3161.3-172.657.5-164.767.100112.4F105 D124 T125 I126 F131 T166F105-M168 HydrophobicContact CB-CG 4.09Å; F105-M168 HydrophobicContact CD1-CG 4.06Å; F105-M168 HydrophobicContact CD1-SD 4.01Å; F105-M168 PolarHBondContact N-O 3.29Å; F105-M168 PolarHBondContact O-N 2.84Å; D124-M168 HydrophobicContact CB-SD 3.9Å; T125-M168 VanDerWaalsContact O-CA 3.25Å; T125-M168 WeakPolarHBondContact O-CA 3.32Å; T125-M168 VanDerWaalsContact O-CB 3.25Å; T125-M168 WeakPolarHBondContact O-CB 3.33Å; I126-M168 HydrophobicContact CG1-CE 4.47Å; F131-M168 HydrophobicContact CD2-CE 4.1Å; T166-M168 HydrophobicContact CG2-CE 3.61Å
169V98.7Very high97.2Very high1 Ų127.4 Ų27.41%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-98.9123.7165.2-179.50000107.1V40 A44 F56 V59 L102 L104 T125 I127V40-V169 HydrophobicContact CG1-CG1 3.91Å; A44-V169 HydrophobicContact CB-CB 3.83Å; A44-V169 HydrophobicContact CB-CG1 4.48Å; A44-V169 HydrophobicContact CB-CG2 3.72Å; F56-V169 HydrophobicContact CE1-CG2 4.46Å; V59-V169 HydrophobicContact CG1-CG2 4.12Å; V59-V169 HydrophobicContact CG2-CG2 4.48Å; L102-V169 HydrophobicContact CD1-CG1 3.78Å; L104-V169 HydrophobicContact CD2-CG2 3.92Å; T125-V169 PolarHBondContact N-O 2.92Å; T125-V169 PolarHBondContact O-N 2.66Å; I127-V169 HydrophobicContact CD1-CG2 4.36Å; I127-V169 HydrophobicContact CG1-CG2 4.29Å
170E98.8Very high96.9Very high30 Ų3027.1 Ų27.114%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-113129.6-178.7-176.3-178.5115.600109.5Y101 L102 L103 I122 S123 D124Y101-E170 HydrophobicContact CE2-CG 3.94Å; Y101-E170 WeakPolarHBondContact CE2-OE1 3.46Å; Y101-E170 PolarHBondContact OH-OE1 3.05Å; L102-E170 WeakPolarHBondContact CA-O 3.34Å; L103-E170 HydrophobicContact CD1-CB 3.65Å; L103-E170 HydrophobicContact CD1-CG 4.35Å; L103-E170 HydrophobicContact CG-CB 4.15Å; L103-E170 PolarHBondContact N-O 2.97Å; L103-E170 PolarHBondContact O-N 2.97Å; I122-E170 HydrophobicContact CG2-CG 3.59Å; S123-E170 WeakPolarHBondContact O-CA 3.48Å; D124-E170 WeakPolarHBondContact OD1-CB 3.32Å; D124-E170 WeakPolarHBondContact OD1-CG 3.36Å
171Y98.7Very high96.7Very high0 Ų029.7 Ų29.70%018%0.182CC..EExtended strand (participates in β ladder)trans-128.2126.2177.2175.5-121.3000110.6F35 N37 V40 E100 Y101 L102 S123 R173F35-Y171 HydrophobicContact CB-CE1 4.35Å; F35-Y171 HydrophobicContact CB-CE2 3.89Å; F35-Y171 AromaticContact CD2-CE2 3.79Å; F35-Y171 HydrophobicContact CD2-CE2 3.79Å; F35-Y171 HydrophobicContact CG-CE2 4.12Å; N37-Y171 WeakPolarHBondContact OD1-CD1 3.46Å; N37-Y171 WeakPolarHBondContact OD1-CE1 3.32Å; V40-Y171 HydrophobicContact CG2-CD1 4.41Å; V40-Y171 HydrophobicContact CG2-CG 4.32Å; E100-Y171 HydrophobicContact CB-CE2 4.29Å; E100-Y171 HydrophobicContact CG-CE2 4.46Å; E100-Y171 PolarHBondContact OE1-OH 3.11Å; Y101-Y171 WeakPolarHBondContact O-CA 3.35Å; Y101-Y171 WeakPolarHBondContact O-CD2 3.39Å; L102-Y171 HydrophobicContact CB-CD2 4.31Å; L102-Y171 HydrophobicContact CD1-CD2 4.13Å; L102-Y171 HydrophobicContact CD1-CG 4.34Å; S123-Y171 PolarHBondContact N-O 2.84Å; S123-Y171 PolarHBondContact O-N 3.1Å; S123-Y171 PolarHBondContact OG-O 2.92Å; S123-Y171 VanDerWaalsContact OG-O 3.12Å; Y171-R173 HydrophobicContact CE1-CG 3.7Å; Y171-R173 HydrophobicContact CE2-CG 4.45Å; Y171-R173 VanDerWaalsContact CZ-NE 3.27Å; Y171-R173 VanDerWaalsContact OH-CZ 3.31Å; Y171-R173 PolarHBondContact OH-NE 2.99Å; Y171-R173 PolarHBondContact OH-NH2 3.15Å
172G97.6Very high96.6Very high0 Ų027.5 Ų27.50%017%0.171CC..EExtended strand (participates in β ladder)trans-120.5143.3-178.600000113.5E100 Y101 E121E100-G172 VanDerWaalsContact CA-O 3.28Å; E100-G172 WeakPolarHBondContact CA-O 3.47Å; Y101-G172 PolarHBondContact N-O 3.34Å; Y101-G172 PolarHBondContact O-N 2.87Å; E121-G172 CarbonylContact O-C 3.45Å; E121-G172 VanDerWaalsContact O-CA 3.3Å; E121-G172 WeakPolarHBondContact O-CA 3.41Å
173R95.9Very high96.5Very high40 Ų4028.1 Ų28.115%0.15118%0.179CC..EExtended strand (participates in β ladder)trans-133124.4-180-70.9179.3163.5178-2.7112.1F35 N37 T99 A120 E121 Y171F35-R173 PolarHBondContact O-NH2 2.73Å; N37-R173 PolarHBondContact ND2-NH1 3.39Å; T99-R173 WeakPolarHBondContact O-CA 3.16Å; A120-R173 CarbonylContact C-O 3.6Å; A120-R173 WeakPolarHBondContact CA-O 3.39Å; A120-R173 WeakPolarHBondContact CB-O 3.38Å; E121-R173 PolarHBondContact N-O 2.86Å; E121-R173 PolarHBondContact O-N 3.34Å; Y171-R173 HydrophobicContact CE1-CG 3.7Å; Y171-R173 HydrophobicContact CE2-CG 4.45Å; Y171-R173 VanDerWaalsContact CZ-NE 3.27Å; Y171-R173 VanDerWaalsContact OH-CZ 3.31Å; Y171-R173 PolarHBondContact OH-NE 2.99Å; Y171-R173 PolarHBondContact OH-NH2 3.15Å
174G94.1Very high96.4Very high9 Ų928.1 Ų28.19%0.09318%0.176CC..EExtended strand (participates in β ladder)trans152.1-137176.100000111.7T99 W119 I176T99-G174 CarbonylContact C-O 3.56Å; T99-G174 WeakPolarHBondContact CA-O 3.46Å; T99-G174 PolarHBondContact O-N 3.39Å; W119-G174 WeakPolarHBondContact O-CA 3.16Å; G174-I176 PolarHBondContact O-N 3.23Å
175F93.8Very high96.4Very high101 Ų10127.1 Ų27.144%0.44317%0.166SC..  trans-96.984.9174.1-177.6-132000110.6W119 P177 S178W119-F175 HydrophobicContact CB-CB 4.5Å; W119-F175 HydrophobicContact CE3-CD1 4.07Å; W119-F175 PolarHBondContact O-N 2.82Å; F175-P177 HydrophobicContact CD2-CG 4.22Å; F175-P177 HydrophobicContact CE1-CB 4.48Å; F175-P177 HydrophobicContact CE2-CB 3.97Å; F175-P177 HydrophobicContact CE2-CG 3.72Å; F175-P177 HydrophobicContact CZ-CB 3.9Å; F175-P177 HydrophobicContact CZ-CG 4.18Å; F175-S178 WeakPolarHBondContact O-CB 3.26Å; F175-S178 PolarHBondContact O-N 3.02Å; F175-S178 PolarHBondContact O-OG 3.22Å
176I96Very high96.4Very high4 Ų427.5 Ų27.52%0.02116%0.162CC..G310 helixtrans-57.7-39.8-171-53.9-43.5000113.8L98 T99 Y101 A120 G174 S178 T179 Y204L98-I176 PolarHBondContact O-N 3.25Å; T99-I176 VanDerWaalsContact C-CG1 3.44Å; Y101-I176 HydrophobicContact CD1-CD1 3.6Å; Y101-I176 HydrophobicContact CD1-CG1 4.09Å; Y101-I176 HydrophobicContact CD1-CG2 3.83Å; Y101-I176 HydrophobicContact CE1-CD1 4.05Å; A120-I176 HydrophobicContact CB-CD1 4.29Å; G174-I176 PolarHBondContact O-N 3.23Å; I176-S178 PolarHBondContact O-N 3.1Å; I176-T179 PolarHBondContact O-N 3.01Å; I176-T179 PolarHBondContact O-OG1 2.96Å; I176-Y204 HydrophobicContact CG2-CE2 4.2Å
177P95.1Very high96.4Very high42 Ų4227.6 Ų27.627%0.27316%0.162SC..G310 helixtrans-55.6-25.5175.3-28.135.1000114.7L98 F175 T179L98-P177 HydrophobicContact CD2-CG 4.06Å; L98-P177 WeakPolarHBondContact O-CD 3.39Å; F175-P177 HydrophobicContact CD2-CG 4.22Å; F175-P177 HydrophobicContact CE1-CB 4.48Å; F175-P177 HydrophobicContact CE2-CB 3.97Å; F175-P177 HydrophobicContact CE2-CG 3.72Å; F175-P177 HydrophobicContact CZ-CB 3.9Å; F175-P177 HydrophobicContact CZ-CG 4.18Å; P177-T179 VanDerWaalsContact C-N 3.33Å
178S92.7Very high96.4Very high39 Ų3929.5 Ų29.527%0.27317%0.174SC..G310 helixtrans-72.4-23.3176.269.30000113.9F175 I176F175-S178 WeakPolarHBondContact O-CB 3.26Å; F175-S178 PolarHBondContact O-N 3.02Å; F175-S178 PolarHBondContact O-OG 3.22Å; I176-S178 PolarHBondContact O-N 3.1Å
179T94.7Very high96.3Very high13 Ų1337.4 Ų37.48%0.0821%0.209CC..THydrogen-bonded Turntrans-76.8-29.7-179.874.60000111.6Y118 A120 I176 P177 G181 F182 A183Y118-T179 HydrophobicContact CD1-CG2 3.71Å; Y118-T179 HydrophobicContact CE1-CG2 4.43Å; Y118-T179 HydrophobicContact CG-CG2 4.27Å; A120-T179 HydrophobicContact CB-CG2 4.14Å; I176-T179 PolarHBondContact O-N 3.01Å; I176-T179 PolarHBondContact O-OG1 2.96Å; P177-T179 VanDerWaalsContact C-N 3.33Å; T179-G181 PolarHBondContact O-N 3.23Å; T179-F182 WeakPolarHBondContact O-CB 3.49Å; T179-F182 PolarHBondContact O-N 3.43Å; T179-A183 PolarHBondContact O-N 2.95Å
180L92.2Very high96.3Very high46 Ų4641.4 Ų41.424%0.24124%0.237CC..Hα-helixtrans-58.4-33.7-179.3-68.3176.2000113.5F182 A183 L184 Y204L180-F182 VanDerWaalsContact C-N 3.25Å; L180-F182 PolarHBondContact O-N 3.4Å; L180-A183 PolarHBondContact O-N 3.44Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.39Å; L180-Y204 HydrophobicContact CD1-CD1 3.86Å; L180-Y204 HydrophobicContact CD1-CE1 3.69Å
181G93.4Very high96.3Very high59 Ų5942.9 Ų42.961%0.60825%0.248SC*.Hα-helixtrans-61.7-35.7177.200000112.5T179T179-G181 PolarHBondContact O-N 3.23Å
182F97.5Very high96.3Very high42 Ų4249 Ų4918%0.18428%0.277CS..Hα-helixtrans-77.3-48.2172.3174.7-93.8000111.2A84 W87 H114 S115 Y118 T179 L180 L184 S185A84-F182 HydrophobicContact CB-CD1 4.03Å; A84-F182 HydrophobicContact CB-CE1 3.65Å; A84-F182 HydrophobicContact CB-CZ 4.03Å; A84-F182 VanDerWaalsContact CB-O 3.29Å; A84-F182 WeakPolarHBondContact CB-O 3.29Å; W87-F182 AromaticContact CZ2-CE1 3.95Å; W87-F182 HydrophobicContact CZ2-CE1 3.95Å; H114-F182 WeakPolarHBondContact O-CZ 3.35Å; S115-F182 WeakPolarHBondContact O-CE1 3.37Å; Y118-F182 HydrophobicContact CE1-CB 4.14Å; Y118-F182 AromaticContact CE1-CD1 3.67Å; Y118-F182 HydrophobicContact CE1-CD1 3.67Å; Y118-F182 HydrophobicContact CE1-CE1 4.42Å; Y118-F182 HydrophobicContact CE1-CG 4.09Å; Y118-F182 AromaticContact CZ-CD1 3.72Å; Y118-F182 WeakPolarHBondContact OH-CD1 3.14Å; Y118-F182 WeakPolarHBondContact OH-CE1 3.04Å; T179-F182 WeakPolarHBondContact O-CB 3.49Å; T179-F182 PolarHBondContact O-N 3.43Å; L180-F182 VanDerWaalsContact C-N 3.25Å; L180-F182 PolarHBondContact O-N 3.4Å; F182-L184 PolarHBondContact O-N 3.34Å; F182-S185 WeakPolarHBondContact O-CB 3.37Å; F182-S185 PolarHBondContact O-N 3.49Å; F182-S185 PolarHBondContact O-OG 2.82Å; F182-S185 VanDerWaalsContact O-OG 3.11Å
183A96.3Very high96.3Very high27 Ų2751.6 Ų51.622%0.22329%0.291CS..Hα-helixtrans-60.1-22.7-176.900000114.3T179 L180T179-A183 PolarHBondContact O-N 2.95Å; L180-A183 PolarHBondContact O-N 3.44Å
184L97.5Very high96.4Very high28 Ų2855 Ų5515%0.14731%0.307CS..THydrogen-bonded Turntrans-105.52.6177.3-64174.4000113.5L180 F182 D186 T187 L188 M197 T200L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.39Å; F182-L184 PolarHBondContact O-N 3.34Å; L184-D186 PolarHBondContact O-N 3.29Å; L184-T187 HydrophobicContact CD2-CG2 4.49Å; L184-T187 WeakPolarHBondContact O-CB 3.34Å; L184-T187 PolarHBondContact O-N 3.33Å; L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 PolarHBondContact O-N 2.9Å; L184-M197 HydrophobicContact CD1-CG 4.32Å; L184-M197 HydrophobicContact CD2-CG 4.24Å; L184-T200 HydrophobicContact CD2-CG2 4.02Å
185S97.8Very high96.6Very high29 Ų2958.5 Ų58.520%0.20333%0.326CS..Hα-helixtrans-60.7-51.7-173.271.60000111.9F182 T187 L188 F189F182-S185 WeakPolarHBondContact O-CB 3.37Å; F182-S185 PolarHBondContact O-N 3.49Å; F182-S185 PolarHBondContact O-OG 2.82Å; F182-S185 VanDerWaalsContact O-OG 3.11Å; S185-T187 VanDerWaalsContact C-N 3.33Å; S185-L188 PolarHBondContact O-N 3.03Å; S185-F189 WeakPolarHBondContact O-CB 3.38Å; S185-F189 VanDerWaalsContact O-CD2 3.26Å; S185-F189 WeakPolarHBondContact O-CD2 3.28Å; S185-F189 PolarHBondContact O-N 3.21Å
186D98.5Very high96.8Very high37 Ų3754.1 Ų54.120%0.19831%0.308CS..Hα-helixtrans-80.5-25-177.7-59.5-10.3000110.5N83 A84 G85 G86 L184 L188 S190 T191N83-D186 HydrophobicContact CB-CB 4.07Å; N83-D186 WeakPolarHBondContact O-CB 3.14Å; N83-D186 PolarHBondContact O-N 2.86Å; A84-D186 WeakPolarHBondContact CA-OD2 3.09Å; G85-D186 PolarHBondContact N-OD2 3Å; G86-D186 WeakPolarHBondContact CA-OD2 3.4Å; G86-D186 PolarHBondContact N-OD2 3Å; L184-D186 PolarHBondContact O-N 3.29Å; D186-L188 VanDerWaalsContact C-N 3.27Å; D186-L188 PolarHBondContact O-N 3.42Å; D186-S190 CarbonylContact O-C 3.46Å; D186-S190 VanDerWaalsContact O-CA 3.26Å; D186-S190 WeakPolarHBondContact O-CA 3.39Å; D186-S190 WeakPolarHBondContact O-CB 3.43Å; D186-S190 PolarHBondContact O-N 2.92Å; D186-T191 PolarHBondContact O-N 3.47Å
187T98.1Very high96.9Very high2 Ų256.7 Ų56.71%0.01232%0.32CS..Iπ-helixtrans-57.3-44167.9-55.60000111.1N83 L184 S185 T191 Q192 D193 M197N83-T187 PolarHBondContact O-N 3.06Å; N83-T187 PolarHBondContact O-OG1 3.38Å; L184-T187 HydrophobicContact CD2-CG2 4.49Å; L184-T187 WeakPolarHBondContact O-CB 3.34Å; L184-T187 PolarHBondContact O-N 3.33Å; S185-T187 VanDerWaalsContact C-N 3.33Å; T187-T191 WeakPolarHBondContact CA-OG1 3.42Å; T187-T191 PolarHBondContact O-OG1 2.98Å; T187-Q192 VanDerWaalsContact O-CA 3.24Å; T187-Q192 WeakPolarHBondContact O-CA 3.42Å; T187-Q192 PolarHBondContact O-N 3.11Å; T187-D193 VanDerWaalsContact CG2-O 3.32Å; T187-D193 WeakPolarHBondContact CG2-O 3.26Å; T187-D193 PolarHBondContact O-N 2.96Å; T187-M197 HydrophobicContact CG2-CB 4Å
188L97.8Very high97.1Very high70 Ų7061 Ų6137%0.36633%0.332SS..Iπ-helixtrans-80.2-44.2-178.2-176.559.2000113.1L184 S185 D186 F194L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 PolarHBondContact O-N 2.9Å; S185-L188 PolarHBondContact O-N 3.03Å; D186-L188 VanDerWaalsContact C-N 3.27Å; D186-L188 PolarHBondContact O-N 3.42Å; L188-F194 HydrophobicContact CD1-CE1 3.87Å
189F98.2Very high97.3Very high166 Ų16662.9 Ų62.973%0.72833%0.334SS*.Iπ-helixtrans-105.8-9.8-168.3-61.8-67.6000114.7S185S185-F189 WeakPolarHBondContact O-CB 3.38Å; S185-F189 VanDerWaalsContact O-CD2 3.26Å; S185-F189 WeakPolarHBondContact O-CD2 3.28Å; S185-F189 PolarHBondContact O-N 3.21Å
190S98.3Very high97.5Very high85 Ų8562.6 Ų62.659%0.59433%0.332SS*.Iπ-helixtrans-116.8-65.9179.1-174.70000111.7D186D186-S190 CarbonylContact O-C 3.46Å; D186-S190 VanDerWaalsContact O-CA 3.26Å; D186-S190 WeakPolarHBondContact O-CA 3.39Å; D186-S190 WeakPolarHBondContact O-CB 3.43Å; D186-S190 PolarHBondContact O-N 2.92Å
191T98.3Very high97.7Very high62 Ų6263.8 Ų63.838%0.3834%0.341SS..Iπ-helixtrans-81.4-26.7-173.166.10000113.2N83 D186 T187 D193N83-T191 HydrophobicContact CB-CG2 4.14Å; D186-T191 PolarHBondContact O-N 3.47Å; T187-T191 WeakPolarHBondContact CA-OG1 3.42Å; T187-T191 PolarHBondContact O-OG1 2.98Å; T191-D193 PolarHBondContact O-N 2.75Å; T191-D193 PolarHBondContact OG1-N 3.02Å
192Q98.3Very high98Very high129 Ų12964.8 Ų64.860%0.60333%0.326SS*.  trans56.128-173.9-55.1175.721.400112.8T187 F194T187-Q192 VanDerWaalsContact O-CA 3.24Å; T187-Q192 WeakPolarHBondContact O-CA 3.42Å; T187-Q192 PolarHBondContact O-N 3.11Å; Q192-F194 VanDerWaalsContact C-N 3.3Å; Q192-F194 HydrophobicContact CB-CE2 4.2Å; Q192-F194 VanDerWaalsContact O-CD2 3.26Å; Q192-F194 WeakPolarHBondContact O-CD2 3.24Å; Q192-F194 PolarHBondContact O-N 2.99Å
193D98.4Very high98Very high53 Ų5363 Ų6328%0.28332%0.319SS..  trans-80.879.5178.6-171.6-7.4000110.8T187 T191 V195 T196 M197T187-D193 VanDerWaalsContact CG2-O 3.32Å; T187-D193 WeakPolarHBondContact CG2-O 3.26Å; T187-D193 PolarHBondContact O-N 2.96Å; T191-D193 PolarHBondContact O-N 2.75Å; T191-D193 PolarHBondContact OG1-N 3.02Å; D193-V195 PolarHBondContact O-N 2.88Å; D193-V195 WeakPolarHBondContact OD1-CB 3.26Å; D193-V195 PolarHBondContact OD1-N 2.79Å; D193-V195 VanDerWaalsContact OD1-N 3.1Å; D193-T196 VanDerWaalsContact CG-CB 3.43Å; D193-T196 PolarHBondContact O-N 2.86Å; D193-T196 PolarHBondContact OD1-N 3.33Å; D193-T196 VanDerWaalsContact OD2-CB 3.26Å; D193-T196 WeakPolarHBondContact OD2-CB 3.32Å; D193-T196 PolarHBondContact OD2-OG1 3.48Å; D193-M197 PolarHBondContact O-N 2.92Å
194F98Very high98.1Very high113 Ų11363 Ų6350%0.49631%0.313SS..Hα-helixtrans-65.3-18.8177.3-60.9-64.8000113.2L188 Q192 M197 Y198L188-F194 HydrophobicContact CD1-CE1 3.87Å; Q192-F194 VanDerWaalsContact C-N 3.3Å; Q192-F194 HydrophobicContact CB-CE2 4.2Å; Q192-F194 VanDerWaalsContact O-CD2 3.26Å; Q192-F194 WeakPolarHBondContact O-CD2 3.24Å; Q192-F194 PolarHBondContact O-N 2.99Å; F194-M197 HydrophobicContact CD1-CE 3.73Å; F194-M197 HydrophobicContact CD1-SD 4.38Å; F194-M197 HydrophobicContact CE1-CE 4.49Å; F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 2.62Å
195V98.4Very high98.1Very high81 Ų8165.7 Ų65.749%0.49133%0.327SS..Hα-helixtrans-73.7-46.9175.7179.20000109.5D193 M197 Y198 Y199D193-V195 PolarHBondContact O-N 2.88Å; D193-V195 WeakPolarHBondContact OD1-CB 3.26Å; D193-V195 PolarHBondContact OD1-N 2.79Å; D193-V195 VanDerWaalsContact OD1-N 3.1Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 3.47Å; V195-Y198 WeakPolarHBondContact O-CB 3.46Å; V195-Y198 PolarHBondContact O-N 2.89Å; V195-Y199 HydrophobicContact CG1-CD2 4.16Å; V195-Y199 HydrophobicContact CG1-CE1 4.29Å; V195-Y199 HydrophobicContact CG1-CE2 3.46Å; V195-Y199 VanDerWaalsContact CG1-CE2 3.46Å; V195-Y199 WeakPolarHBondContact O-CD2 3.3Å; V195-Y199 PolarHBondContact O-N 3.37Å
196T97.9Very high98.1Very high9 Ų967.7 Ų67.76%0.05533%0.333CS..Hα-helixtrans-60.2-43.2172-71.80000111.4V80 F81 D193 Y198 Y199 T200V80-T196 HydrophobicContact CG1-CG2 3.87Å; F81-T196 HydrophobicContact CB-CG2 4.34Å; F81-T196 WeakPolarHBondContact O-CG2 3.48Å; D193-T196 VanDerWaalsContact CG-CB 3.43Å; D193-T196 PolarHBondContact O-N 2.86Å; D193-T196 PolarHBondContact OD1-N 3.33Å; D193-T196 VanDerWaalsContact OD2-CB 3.26Å; D193-T196 WeakPolarHBondContact OD2-CB 3.32Å; D193-T196 PolarHBondContact OD2-OG1 3.48Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 2.89Å; T196-Y199 PolarHBondContact O-N 3.4Å; T196-Y199 VanDerWaalsContact O-N 3.14Å; T196-T200 PolarHBondContact O-N 2.74Å; T196-T200 PolarHBondContact O-OG1 2.94Å
197M97.7Very high98.1Very high59 Ų5966 Ų6629%0.29132%0.323SS..Hα-helixtrans-56.9-44.3173.9-172-179.873.600112.1L184 T187 D193 F194 V195 T200 V201L184-M197 HydrophobicContact CD1-CG 4.32Å; L184-M197 HydrophobicContact CD2-CG 4.24Å; T187-M197 HydrophobicContact CG2-CB 4Å; D193-M197 PolarHBondContact O-N 2.92Å; F194-M197 HydrophobicContact CD1-CE 3.73Å; F194-M197 HydrophobicContact CD1-SD 4.38Å; F194-M197 HydrophobicContact CE1-CE 4.49Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 3.47Å; M197-T200 PolarHBondContact O-N 2.69Å; M197-V201 WeakPolarHBondContact O-CG2 3.28Å; M197-V201 PolarHBondContact O-N 3.31Å
198Y98.1Very high98.1Very high132 Ų13268 Ų6852%0.51833%0.334SS..Hα-helixtrans-61.6-44.3175.1166.1-101.2000112.2F194 V195 T196 T200 V201 R202F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 2.62Å; V195-Y198 WeakPolarHBondContact O-CB 3.46Å; V195-Y198 PolarHBondContact O-N 2.89Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 2.89Å; Y198-T200 PolarHBondContact O-N 3Å; Y198-V201 PolarHBondContact O-N 2.89Å; Y198-R202 WeakPolarHBondContact O-CB 3.47Å; Y198-R202 PolarHBondContact O-N 2.87Å
199Y98.4Very high98.1Very high78 Ų7871.2 Ų71.231%0.30635%0.349SS..Hα-helixtrans-61.8-43.9177.8-65.1-30.8000112.4V195 T196 R202 V203V195-Y199 HydrophobicContact CG1-CD2 4.16Å; V195-Y199 HydrophobicContact CG1-CE1 4.29Å; V195-Y199 HydrophobicContact CG1-CE2 3.46Å; V195-Y199 VanDerWaalsContact CG1-CE2 3.46Å; V195-Y199 WeakPolarHBondContact O-CD2 3.3Å; V195-Y199 PolarHBondContact O-N 3.37Å; T196-Y199 PolarHBondContact O-N 3.4Å; T196-Y199 VanDerWaalsContact O-N 3.14Å; Y199-R202 PolarHBondContact O-N 3.32Å; Y199-V203 WeakPolarHBondContact O-CG1 3.31Å; Y199-V203 PolarHBondContact O-N 2.89Å
200T98.1Very high98.1Very high8 Ų865.4 Ų65.45%0.04933%0.325CS..Hα-helixtrans-60.5-47.9176.8-62.30000111.8M91 L184 T196 M197 Y198 R202 V203 Y204M91-T200 HydrophobicContact CE-CG2 3.74Å; L184-T200 HydrophobicContact CD2-CG2 4.02Å; T196-T200 PolarHBondContact O-N 2.74Å; T196-T200 PolarHBondContact O-OG1 2.94Å; M197-T200 PolarHBondContact O-N 2.69Å; Y198-T200 PolarHBondContact O-N 3Å; T200-R202 PolarHBondContact O-N 3.38Å; T200-V203 WeakPolarHBondContact O-CG1 3.48Å; T200-Y204 WeakPolarHBondContact O-CB 3.4Å; T200-Y204 PolarHBondContact O-N 2.88Å; T200-Y204 VanDerWaalsContact O-N 3.13Å
201V97.6Very high98Very high71 Ų7162 Ų6243%0.4330%0.3SS..Hα-helixtrans-64.1-42.3177.3172.90000111M197 Y198 Y204 L205M197-V201 WeakPolarHBondContact O-CG2 3.28Å; M197-V201 PolarHBondContact O-N 3.31Å; Y198-V201 PolarHBondContact O-N 2.89Å; V201-Y204 PolarHBondContact O-N 3.46Å; V201-L205 HydrophobicContact CG1-CD1 3.98Å; V201-L205 HydrophobicContact CG1-CG 4.37Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.25Å
202R98.2Very high97.9Very high79 Ų7961.3 Ų61.330%0.29830%0.3SS..Hα-helixtrans-61.6-48.7-179.8-177.9-17973.5178.14.2112Y198 Y199 T200 Y204 L205 K206Y198-R202 WeakPolarHBondContact O-CB 3.47Å; Y198-R202 PolarHBondContact O-N 2.87Å; Y199-R202 PolarHBondContact O-N 3.32Å; T200-R202 PolarHBondContact O-N 3.38Å; R202-Y204 VanDerWaalsContact C-N 3.33Å; R202-L205 PolarHBondContact O-N 3.47Å; R202-K206 WeakPolarHBondContact O-CG 3.25Å; R202-K206 PolarHBondContact O-N 2.85Å
203V98.2Very high97.8Very high4 Ų456.6 Ų56.62%0.02429%0.287CS..Hα-helixtrans-67.1-37.1-178.372.80000111.1L72 L93 Y199 T200 K206 A207L72-V203 HydrophobicContact CD1-CG2 3.88Å; L93-V203 HydrophobicContact CB-CG1 4.27Å; L93-V203 HydrophobicContact CB-CG2 3.97Å; L93-V203 HydrophobicContact CD2-CB 4.5Å; L93-V203 HydrophobicContact CD2-CG1 3.94Å; L93-V203 HydrophobicContact CD2-CG2 4.13Å; Y199-V203 WeakPolarHBondContact O-CG1 3.31Å; Y199-V203 PolarHBondContact O-N 2.89Å; T200-V203 WeakPolarHBondContact O-CG1 3.48Å; V203-K206 PolarHBondContact O-N 3.46Å; V203-A207 PolarHBondContact O-N 2.85Å
204Y98.4Very high97.6Very high27 Ų2755 Ų5511%0.10628%0.279CS..Hα-helixtrans-63.6-43.2174.3-172.9-124.7000112A96 S97 I176 L180 T200 V201 R202 K206 A207 L208A96-Y204 HydrophobicContact CB-CD2 3.55Å; A96-Y204 HydrophobicContact CB-CE2 3.63Å; S97-Y204 PolarHBondContact O-OH 2.89Å; I176-Y204 HydrophobicContact CG2-CE2 4.2Å; L180-Y204 HydrophobicContact CD1-CD1 3.86Å; L180-Y204 HydrophobicContact CD1-CE1 3.69Å; T200-Y204 WeakPolarHBondContact O-CB 3.4Å; T200-Y204 PolarHBondContact O-N 2.88Å; T200-Y204 VanDerWaalsContact O-N 3.13Å; V201-Y204 PolarHBondContact O-N 3.46Å; R202-Y204 VanDerWaalsContact C-N 3.33Å; Y204-K206 PolarHBondContact O-N 3.49Å; Y204-A207 PolarHBondContact O-N 3.44Å; Y204-L208 HydrophobicContact CD1-CD1 4.05Å; Y204-L208 HydrophobicContact CE1-CD1 3.77Å; Y204-L208 HydrophobicContact CE1-CG 4.42Å; Y204-L208 HydrophobicContact CE2-CD2 4.46Å; Y204-L208 HydrophobicContact CE2-CG 4.45Å; Y204-L208 WeakPolarHBondContact O-CG 3.46Å; Y204-L208 PolarHBondContact O-N 3.28Å
205L98.1Very high97.3Very high85 Ų8554.5 Ų54.545%0.44528%0.281SS..Hα-helixtrans-63.3-40.6175.7-73.2174.4000112.7V201 R202 A207 L208 M209V201-L205 HydrophobicContact CG1-CD1 3.98Å; V201-L205 HydrophobicContact CG1-CG 4.37Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.25Å; R202-L205 PolarHBondContact O-N 3.47Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-L208 HydrophobicContact CD2-CD1 4.49Å; L205-L208 PolarHBondContact O-N 3.33Å; L205-M209 WeakPolarHBondContact O-CG 3.29Å; L205-M209 PolarHBondContact O-N 2.9Å
206K98.3Very high97Very high71 Ų7154 Ų5431%0.30928%0.275SS..Hα-helixtrans-60.3-44.5175.1-74.4-177.8169.3-1640111.5L72 D76 R202 V203 Y204 M209 L210L72-K206 HydrophobicContact CD2-CB 4.27Å; D76-K206 HydrophobicContact CB-CD 4.19Å; D76-K206 WeakPolarHBondContact OD1-CD 3.41Å; D76-K206 WeakPolarHBondContact OD1-CE 3.39Å; D76-K206 IonicContact OD1-NZ 3.02Å; D76-K206 PolarHBondContact OD1-NZ 2.89Å; R202-K206 WeakPolarHBondContact O-CG 3.25Å; R202-K206 PolarHBondContact O-N 2.85Å; V203-K206 PolarHBondContact O-N 3.46Å; Y204-K206 PolarHBondContact O-N 3.49Å; K206-M209 PolarHBondContact O-N 3.26Å; K206-L210 PolarHBondContact O-N 3.29Å
207A98.1Very high96.7Very high1 Ų157.5 Ų57.51%0.00830%0.296CS..Hα-helixtrans-63.3-42.3176.100000112.3L72 L93 A96 V203 Y204 L205 M209 L210 E211L72-A207 HydrophobicContact CD1-CB 4.2Å; L72-A207 HydrophobicContact CD2-CB 4.26Å; L72-A207 HydrophobicContact CG-CB 4.31Å; L93-A207 HydrophobicContact CD2-CB 4.21Å; A96-A207 HydrophobicContact CB-CB 3.66Å; A96-A207 CarbonylContact O-C 3.59Å; V203-A207 PolarHBondContact O-N 2.85Å; Y204-A207 PolarHBondContact O-N 3.44Å; L205-A207 VanDerWaalsContact C-N 3.34Å; A207-M209 VanDerWaalsContact C-N 3.31Å; A207-M209 PolarHBondContact O-N 2.85Å; A207-L210 WeakPolarHBondContact O-CB 3.28Å; A207-L210 PolarHBondContact O-N 3.45Å; A207-E211 PolarHBondContact O-N 2.94Å
208L98.1Very high96.3Very high45 Ų4561.1 Ų61.124%0.23631%0.313CS..Hα-helixtrans-62.1-37.7174.5-69.8176.3000112.6L98 Y204 L205 A212L98-L208 HydrophobicContact CD2-CD2 4.26Å; Y204-L208 HydrophobicContact CD1-CD1 4.05Å; Y204-L208 HydrophobicContact CE1-CD1 3.77Å; Y204-L208 HydrophobicContact CE1-CG 4.42Å; Y204-L208 HydrophobicContact CE2-CD2 4.46Å; Y204-L208 HydrophobicContact CE2-CG 4.45Å; Y204-L208 WeakPolarHBondContact O-CG 3.46Å; Y204-L208 PolarHBondContact O-N 3.28Å; L205-L208 HydrophobicContact CD2-CD1 4.49Å; L205-L208 PolarHBondContact O-N 3.33Å; L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.39Å
209M97.8Very high95.9Very high137 Ų13758.2 Ų58.268%0.67532%0.316SS*.Hα-helixtrans-67.4-40.2175.5-72.3-178.4-17400111.9L205 K206 A207 A212 G213L205-M209 WeakPolarHBondContact O-CG 3.29Å; L205-M209 PolarHBondContact O-N 2.9Å; K206-M209 PolarHBondContact O-N 3.26Å; A207-M209 VanDerWaalsContact C-N 3.31Å; A207-M209 PolarHBondContact O-N 2.85Å; M209-A212 PolarHBondContact O-N 3.31Å; M209-G213 PolarHBondContact O-N 3.49Å
210L97.6Very high95.3Very high45 Ų4557.5 Ų57.524%0.23633%0.333CS..Hα-helixtrans-57.8-53.2173.4175.867000110.5G69 L72 K206 A207 A212 G213 T214G69-L210 WeakPolarHBondContact O-CD1 3.31Å; G69-L210 WeakPolarHBondContact O-CG 3.43Å; L72-L210 HydrophobicContact CD2-CD2 4.18Å; K206-L210 PolarHBondContact O-N 3.29Å; A207-L210 WeakPolarHBondContact O-CB 3.28Å; A207-L210 PolarHBondContact O-N 3.45Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 2.91Å; L210-G213 PolarHBondContact O-N 3.25Å; L210-G213 VanDerWaalsContact O-N 3.1Å; L210-T214 PolarHBondContact O-N 3.45Å; L210-T214 PolarHBondContact O-OG1 3.3Å; L210-T214 VanDerWaalsContact O-OG1 3.14Å
211E96.9Very high94.7Very high13 Ų1362 Ų626%0.06136%0.355CS..Hα-helixtrans-61.7-41-179.6-71.9-57.7126.900112.6H70 H95 A96 A207 G213 T214 L215H70-E211 VanDerWaalsContact CA-OE1 3.29Å; H70-E211 WeakPolarHBondContact CA-OE1 3.31Å; H70-E211 IonicContact CE1-OE2 3.4Å; H70-E211 IonicContact CG-OE1 3.77Å; H70-E211 IonicContact ND1-OE1 3.53Å; H70-E211 PolarHBondContact ND1-OE1 3.47Å; H70-E211 IonicContact ND1-OE2 2.7Å; H70-E211 PolarHBondContact ND1-OE2 3.12Å; H95-E211 IonicContact CE1-OE1 3.36Å; H95-E211 PolarHBondContact CE1-OE1 2.91Å; H95-E211 IonicContact CE1-OE2 2.69Å; H95-E211 PolarHBondContact CE1-OE2 2.85Å; H95-E211 IonicContact ND1-OE1 2.76Å; H95-E211 PolarHBondContact ND1-OE1 3.28Å; A96-E211 WeakPolarHBondContact O-CG 3.29Å; A207-E211 PolarHBondContact O-N 2.94Å; E211-G213 VanDerWaalsContact C-N 3.34Å; E211-G213 PolarHBondContact O-N 3.28Å; E211-T214 PolarHBondContact O-N 3.35Å; E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.49Å; E211-L215 PolarHBondContact O-N 3.48Å
212A95.4Very high93.5Very high47 Ų4768.1 Ų68.139%0.38838%0.376SS..Hα-helixtrans-61.3-43.5174.100000111.6L208 M209 L210 L216L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.39Å; M209-A212 PolarHBondContact O-N 3.31Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 2.91Å; A212-L216 WeakPolarHBondContact O-CD1 3.49Å; A212-L216 WeakPolarHBondContact O-CG 3.33Å; A212-L216 PolarHBondContact O-N 2.84Å
213G95.5Very high93.2Very high31 Ų3167.6 Ų67.632%0.3238%0.38SS..Hα-helixtrans-62.6-45.4177.200000112.9M209 L210 E211 L216 T217M209-G213 PolarHBondContact O-N 3.49Å; L210-G213 PolarHBondContact O-N 3.25Å; L210-G213 VanDerWaalsContact O-N 3.1Å; E211-G213 VanDerWaalsContact C-N 3.34Å; E211-G213 PolarHBondContact O-N 3.28Å; G213-L216 PolarHBondContact O-N 2.89Å; G213-T217 PolarHBondContact O-N 2.94Å; G213-T217 PolarHBondContact O-OG1 2.88Å
214T94.1Very high93Very high19 Ų1970.9 Ų70.912%0.11740%0.399CS..Hα-helixtrans-61.9-47.1177.7-58.40000110.9G69 L210 E211 L216 T217 E218G69-T214 PolarHBondContact O-OG1 3.31Å; L210-T214 PolarHBondContact O-N 3.45Å; L210-T214 PolarHBondContact O-OG1 3.3Å; L210-T214 VanDerWaalsContact O-OG1 3.14Å; E211-T214 PolarHBondContact O-N 3.35Å; T214-L216 VanDerWaalsContact C-N 3.34Å; T214-L216 PolarHBondContact O-N 3.48Å; T214-T217 WeakPolarHBondContact O-CB 3.29Å; T214-T217 PolarHBondContact O-N 3.03Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 3.3Å
215L91.6Very high92.7Very high102 Ų10273.3 Ų73.353%0.53442%0.415SS..Hα-helixtrans-59.9-40.4176.5-73.1170.6000113.2E211 T217 A219E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.49Å; E211-L215 PolarHBondContact O-N 3.48Å; L215-T217 VanDerWaalsContact C-N 3.33Å; L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 3.46Å
216L92.6Very high92.4Very high72 Ų7272.6 Ų72.638%0.37741%0.414SS..Hα-helixtrans-68.1-35.7177.7-67.1167.3000111.6A212 G213 T214 A219 G220 I221 F222A212-L216 WeakPolarHBondContact O-CD1 3.49Å; A212-L216 WeakPolarHBondContact O-CG 3.33Å; A212-L216 PolarHBondContact O-N 2.84Å; G213-L216 PolarHBondContact O-N 2.89Å; T214-L216 VanDerWaalsContact C-N 3.34Å; T214-L216 PolarHBondContact O-N 3.48Å; L216-A219 PolarHBondContact O-N 2.88Å; L216-G220 PolarHBondContact O-N 3.23Å; L216-I221 HydrophobicContact CB-CB 4.48Å; L216-I221 HydrophobicContact CD2-CD1 3.62Å; L216-I221 WeakPolarHBondContact O-CB 3.39Å; L216-I221 PolarHBondContact O-N 3.5Å; L216-F222 HydrophobicContact CB-CD2 3.95Å; L216-F222 HydrophobicContact CB-CE2 3.97Å; L216-F222 HydrophobicContact CD1-CE2 4.03Å
217T92.3Very high92Very high81 Ų8172.8 Ų72.850%0.49742%0.42SS..Hα-helixtrans-68.2-45.8176.4-52.80000110.9G213 T214 L215 A219 G220G213-T217 PolarHBondContact O-N 2.94Å; G213-T217 PolarHBondContact O-OG1 2.88Å; T214-T217 WeakPolarHBondContact O-CB 3.29Å; T214-T217 PolarHBondContact O-N 3.03Å; T214-T217 VanDerWaalsContact O-N 3.14Å; L215-T217 VanDerWaalsContact C-N 3.33Å; T217-A219 PolarHBondContact O-N 3.07Å; T217-G220 PolarHBondContact O-N 3.15Å
218E89.8Confident91.6Very high135 Ų13577.5 Ų77.563%0.63145%0.448SS*.Hα-helixtrans-62.8-31.3175.7-71-179164.500112.8H70 T214 G220H70-E218 IonicContact NE2-OE1 3.51Å; T214-E218 WeakPolarHBondContact O-CG 3.46Å; T214-E218 PolarHBondContact O-N 3.3Å; E218-G220 PolarHBondContact O-N 2.85Å
219A88.8Confident91.1Very high71 Ų7179.9 Ų79.959%0.58746%0.463SS*.THydrogen-bonded Turntrans-75.8-3.1173.300000113.9L215 L216 T217 I221L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 3.46Å; L216-A219 PolarHBondContact O-N 2.88Å; T217-A219 PolarHBondContact O-N 3.07Å; A219-I221 HydrophobicContact CB-CD1 4.28Å; A219-I221 HydrophobicContact CB-CG1 4.2Å
220G86.4Confident90.6Very high64 Ų6475.5 Ų75.566%0.6645%0.446SS*.THydrogen-bonded Turntrans73.424.8178.900000114.5L216 T217 E218L216-G220 PolarHBondContact O-N 3.23Å; T217-G220 PolarHBondContact O-N 3.15Å; E218-G220 PolarHBondContact O-N 2.85Å
221I85.9Confident90Very high102 Ų10278 Ų7852%0.52346%0.464SS..  trans-81.3-26178.7-60-179.1000111.2L216 A219L216-I221 HydrophobicContact CB-CB 4.48Å; L216-I221 HydrophobicContact CD2-CD1 3.62Å; L216-I221 WeakPolarHBondContact O-CB 3.39Å; L216-I221 PolarHBondContact O-N 3.5Å; A219-I221 HydrophobicContact CB-CD1 4.28Å; A219-I221 HydrophobicContact CB-CG1 4.2Å
222F70.9Confident89.4Confident199 Ų19983.9 Ų83.987%0.87350%0.501SS*.  trans-129.90177.6-61-69.5000111.3L216L216-F222 HydrophobicContact CB-CD2 3.95Å; L216-F222 HydrophobicContact CB-CE2 3.97Å; L216-F222 HydrophobicContact CD1-CE2 4.03Å

Retrieved 222 of 222 residues in 67.8 ms (Link to these results)

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