A0A061ACX4_CAEEL Loading...

C-CAP/cofactor C-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACX4, Species CAEEL (Caenorhabditis elegans), Gene cas-2, Length 293 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
1M40.6Very low56.7Low249 Ų249141.5 Ų141.5100%1.22771%0.713SS**  089.60-85.8177.9171.900107
2E44.1Very low59.1Low179 Ų179139.9 Ų139.984%0.83670%0.701SS**  trans-119.7151.8175.5-86.617495.900108.1
3H44.4Very low61.3Low148 Ų148140.4 Ų140.469%0.68569%0.69SS**  trans91.443.9-176.5-54.1-80.9000117.9
4K47.3Very low63.3Low226 Ų226134.1 Ų134.198%0.98367%0.672SS**SBendtrans-123.474.3151.2-102.4-174.5176.1-178.10111
5G48.8Very low65.2Low77 Ų77134.6 Ų134.679%0.79467%0.668SS**SBendtrans-168.713171.200000113.6
6K52.2Low66.9Low163 Ų163130.1 Ų130.171%0.70965%0.653SS**SBendtrans-122.63.6-172-102.5-178.3176.8178.30115.3
7N57.8Low68.5Low104 Ų104126 Ų12656%0.55663%0.633SS**  trans-120.223.5-168.1-72.56.4000114.9F9 H10 S11N7-F9 PolarHBondContact O-N 3.39Å; N7-H10 PolarHBondContact O-N 3.31Å; N7-S11 PolarHBondContact O-N 3.1Å
8D62.7Low69.9Low122 Ų122127.1 Ų127.165%0.65263%0.633SS**Hα-helixtrans-64.2-34.9169.2-95.4-22.1000111.5H10 S11 E12D8-H10 VanDerWaalsContact C-N 3.28Å; D8-H10 PolarHBondContact O-N 3.06Å; D8-S11 PolarHBondContact O-N 2.91Å; D8-S11 PolarHBondContact O-OG 3.47Å; D8-E12 WeakPolarHBondContact O-CG 3.46Å; D8-E12 PolarHBondContact O-N 3.42Å
9F73.5Confident71.3Confident140 Ų140127.8 Ų127.861%0.61464%0.635SS**Hα-helixtrans-53.4-42.7172.9-179-99.3000112.9N7 S11 W13N7-F9 PolarHBondContact O-N 3.39Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.71Å; F9-W13 WeakPolarHBondContact O-CB 3.3Å; F9-W13 PolarHBondContact O-N 3.26Å
10H73.6Confident72.5Confident106 Ų106126.6 Ų126.649%0.49163%0.63SS.*Hα-helixtrans-69.9-32.2178.9-69.2-66.9000112.2N7 D8 A14N7-H10 PolarHBondContact O-N 3.31Å; D8-H10 VanDerWaalsContact C-N 3.28Å; D8-H10 PolarHBondContact O-N 3.06Å; H10-A14 VanDerWaalsContact O-CB 3.31Å; H10-A14 WeakPolarHBondContact O-CB 3.4Å; H10-A14 PolarHBondContact O-N 2.94Å
11S79.2Confident73.6Confident43 Ų43125.9 Ų125.930%0.30163%0.626SS.*Hα-helixtrans-75.6-38.6178.288.50000111.8N7 D8 F9 A14 K15N7-S11 PolarHBondContact O-N 3.1Å; D8-S11 PolarHBondContact O-N 2.91Å; D8-S11 PolarHBondContact O-OG 3.47Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.71Å; S11-A14 PolarHBondContact O-N 2.97Å; S11-K15 VanDerWaalsContact O-CG 3.31Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 2.9Å
12E85.4Confident76.2Confident122 Ų122119.2 Ų119.257%0.5760%0.595SS**Hα-helixtrans-67.3-42.8173.9-72.3-179.6165.800111.5D8 A14 K15 S16D8-E12 WeakPolarHBondContact O-CG 3.46Å; D8-E12 PolarHBondContact O-N 3.42Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 2.91Å; E12-K15 PolarHBondContact O-N 3.21Å; E12-S16 PolarHBondContact O-N 2.92Å; E12-S16 PolarHBondContact O-OG 2.86Å
13W87.7Confident78.6Confident146 Ų146113.5 Ų113.555%0.55358%0.575SS**Hα-helixtrans-61-42.3172.717785.2000112.1F9 K15 S16 I17F9-W13 WeakPolarHBondContact O-CB 3.3Å; F9-W13 PolarHBondContact O-N 3.26Å; W13-K15 VanDerWaalsContact C-N 3.31Å; W13-K15 PolarHBondContact O-N 3.19Å; W13-S16 WeakPolarHBondContact CA-OG 3.37Å; W13-S16 PolarHBondContact O-N 2.87Å; W13-S16 PolarHBondContact O-OG 3.28Å; W13-I17 HydrophobicContact CD2-CD1 3.96Å; W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CE3-CD1 4.29Å; W13-I17 HydrophobicContact CH2-CD1 3.53Å; W13-I17 HydrophobicContact CZ2-CD1 3.12Å; W13-I17 HydrophobicContact CZ2-CG1 4.37Å; W13-I17 HydrophobicContact CZ3-CD1 4.09Å; W13-I17 PolarHBondContact O-N 3.08Å
14A89.4Confident80.9Confident53 Ų53110.6 Ų110.644%0.43856%0.564SS.*Hα-helixtrans-64.9-37.2176.300000111.9H10 S11 E12 K18H10-A14 VanDerWaalsContact O-CB 3.31Å; H10-A14 WeakPolarHBondContact O-CB 3.4Å; H10-A14 PolarHBondContact O-N 2.94Å; S11-A14 PolarHBondContact O-N 2.97Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 2.91Å; A14-K18 WeakPolarHBondContact O-CB 3.38Å; A14-K18 PolarHBondContact O-N 2.8Å; A14-K18 VanDerWaalsContact O-N 3.13Å
15K90.8Very high82.9Confident141 Ų141104.7 Ų104.761%0.61354%0.54SS*.Hα-helixtrans-66.9-43.7174.3-74.6171.1-175.9170.90111.8S11 E12 W13 K18 E19S11-K15 VanDerWaalsContact O-CG 3.31Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 2.9Å; E12-K15 PolarHBondContact O-N 3.21Å; W13-K15 VanDerWaalsContact C-N 3.31Å; W13-K15 PolarHBondContact O-N 3.19Å; K15-K18 WeakPolarHBondContact O-CB 3.49Å; K15-K18 PolarHBondContact O-N 2.79Å; K15-K18 VanDerWaalsContact O-N 3.15Å; K15-E19 PolarHBondContact O-N 2.71Å
16S93.3Very high85.1Confident62 Ų62106.3 Ų106.343%0.43453%0.527SS..Hα-helixtrans-66.9-37.7-179.667.90000112.3E12 W13 K18 E19 L20E12-S16 PolarHBondContact O-N 2.92Å; E12-S16 PolarHBondContact O-OG 2.86Å; W13-S16 WeakPolarHBondContact CA-OG 3.37Å; W13-S16 PolarHBondContact O-N 2.87Å; W13-S16 PolarHBondContact O-OG 3.28Å; S16-K18 VanDerWaalsContact C-N 3.33Å; S16-E19 PolarHBondContact O-N 2.99Å; S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 PolarHBondContact O-N 2.85Å
17I93.8Very high86.9Confident61 Ų61104.2 Ų104.231%0.31352%0.515SS..Hα-helixtrans-63.3-41.8171.1-73.7-169.9000111.1W13 E19 L20 M21W13-I17 HydrophobicContact CD2-CD1 3.96Å; W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CE3-CD1 4.29Å; W13-I17 HydrophobicContact CH2-CD1 3.53Å; W13-I17 HydrophobicContact CZ2-CD1 3.12Å; W13-I17 HydrophobicContact CZ2-CG1 4.37Å; W13-I17 HydrophobicContact CZ3-CD1 4.09Å; W13-I17 PolarHBondContact O-N 3.08Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.83Å; I17-L20 PolarHBondContact O-N 2.89Å; I17-M21 HydrophobicContact CG2-CG 4.3Å; I17-M21 WeakPolarHBondContact O-CB 3.35Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 2.94Å
18K93.6Very high88.5Confident146 Ų146101.3 Ų101.364%0.63550%0.501SS*.Hα-helixtrans-61.8-42.5178.1-171.6-179.3178.7-175.30111.3A14 K15 S16 M21 L22A14-K18 WeakPolarHBondContact O-CB 3.38Å; A14-K18 PolarHBondContact O-N 2.8Å; A14-K18 VanDerWaalsContact O-N 3.13Å; K15-K18 WeakPolarHBondContact O-CB 3.49Å; K15-K18 PolarHBondContact O-N 2.79Å; K15-K18 VanDerWaalsContact O-N 3.15Å; S16-K18 VanDerWaalsContact C-N 3.33Å; K18-M21 PolarHBondContact O-N 3.25Å; K18-L22 HydrophobicContact CG-CD1 4.39Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.08Å
19E96Very high89.6Confident141 Ų141103.6 Ų103.666%0.65950%0.5SS*.Hα-helixtrans-68.9-39.9178.3-166.9167.5-16100112.5K15 S16 I17 M21 L22 S23K15-E19 PolarHBondContact O-N 2.71Å; S16-E19 PolarHBondContact O-N 2.99Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.83Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 3.44Å; E19-L22 PolarHBondContact O-N 2.9Å; E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 2.98Å; E19-S23 PolarHBondContact O-OG 3.32Å
20L96.6Very high90.4Very high103 Ų103102.7 Ų102.754%0.53950%0.498SS..Hα-helixtrans-59.3-44.1171.7-179.768000111.7S16 I17 S23 L24S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 2.89Å; L20-S23 WeakPolarHBondContact CA-OG 3.39Å; L20-S23 PolarHBondContact O-N 3.43Å; L20-S23 PolarHBondContact O-OG 2.88Å; L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 PolarHBondContact O-N 2.95Å
21M94.3Very high90.9Very high111 Ų111103 Ų10355%0.54750%0.499SS..Hα-helixtrans-68.3-36-179.6-69.8-67.6159.300112.1I17 K18 E19 H25I17-M21 HydrophobicContact CG2-CG 4.3Å; I17-M21 WeakPolarHBondContact O-CB 3.35Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 2.94Å; K18-M21 PolarHBondContact O-N 3.25Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 3.44Å; M21-H25 WeakPolarHBondContact O-CB 3.15Å; M21-H25 PolarHBondContact O-N 3.38Å
22L95.9Very high91Very high109 Ų109103.3 Ų103.357%0.57150%0.496SS*.Hα-helixtrans-68.9-45176.1-72.2170.7000111.8K18 E19 H25 E26K18-L22 HydrophobicContact CG-CD1 4.39Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.9Å; L22-H25 PolarHBondContact O-N 3.26Å; L22-E26 PolarHBondContact O-N 3.39Å
23S93.9Very high90.8Very high60 Ų60103.1 Ų103.142%0.4250%0.503SS..Hα-helixtrans-65.7-38.7176.553.80000112.2E19 L20 E26 Y27E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 2.98Å; E19-S23 PolarHBondContact O-OG 3.32Å; L20-S23 WeakPolarHBondContact CA-OG 3.39Å; L20-S23 PolarHBondContact O-N 3.43Å; L20-S23 PolarHBondContact O-OG 2.88Å; S23-E26 PolarHBondContact O-N 3.13Å; S23-Y27 WeakPolarHBondContact O-CB 3.48Å; S23-Y27 PolarHBondContact O-N 3.37Å
24L92.6Very high90.4Very high86 Ų86102.7 Ų102.745%0.4552%0.517SS..Hα-helixtrans-63-42.6173.8179.963.1000111.8L20 E26 Y27 V28L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 PolarHBondContact O-N 2.95Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.86Å; L24-Y27 PolarHBondContact O-N 2.69Å; L24-V28 HydrophobicContact CD1-CG2 4.08Å; L24-V28 HydrophobicContact CG-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.02Å
25H90.6Very high89.6Confident102 Ų102101.9 Ų101.947%0.47251%0.514SS..Hα-helixtrans-60.9-41176.1174.674.8000112.2M21 L22 R29M21-H25 WeakPolarHBondContact O-CB 3.15Å; M21-H25 PolarHBondContact O-N 3.38Å; L22-H25 PolarHBondContact O-N 3.26Å; H25-R29 PolarHBondContact NE2-NE 3.29Å; H25-R29 VanDerWaalsContact NE2-NE 3.2Å; H25-R29 PolarHBondContact NE2-NH2 2.98Å; H25-R29 PolarHBondContact O-N 3.04Å; H25-R29 VanDerWaalsContact O-N 3.1Å
26E93.9Very high88.8Confident112 Ų112101.9 Ų101.952%0.52352%0.52SS..Hα-helixtrans-65.7-46174.7-175.6160.3-153.800111.8L22 S23 L24 V28 R29 Q30L22-E26 PolarHBondContact O-N 3.39Å; S23-E26 PolarHBondContact O-N 3.13Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.86Å; E26-V28 PolarHBondContact O-N 3.48Å; E26-R29 PolarHBondContact O-N 2.85Å; E26-Q30 WeakPolarHBondContact O-CG 3.38Å; E26-Q30 PolarHBondContact O-N 2.89Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å
27Y90.9Very high87.7Confident118 Ų118103 Ų10346%0.46352%0.524SS..Hα-helixtrans-57.5-48.9175.7178.6-93.2000112.3S23 L24 R29 Q30 H31 H32S23-Y27 WeakPolarHBondContact O-CB 3.48Å; S23-Y27 PolarHBondContact O-N 3.37Å; L24-Y27 PolarHBondContact O-N 2.69Å; Y27-R29 VanDerWaalsContact C-N 3.32Å; Y27-R29 PolarHBondContact O-N 2.76Å; Y27-Q30 PolarHBondContact O-N 2.82Å; Y27-Q30 VanDerWaalsContact O-N 3.14Å; Y27-H31 AromaticContact CD2-CD2 3.32Å; Y27-H31 WeakPolarHBondContact CD2-CD2 3.37Å; Y27-H31 AromaticContact CD2-NE2 3.85Å; Y27-H31 HydrophobicContact CE1-CB 4.32Å; Y27-H31 HydrophobicContact CE2-CB 4.45Å; Y27-H31 AromaticContact CE2-CD2 3.3Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.47Å; Y27-H31 AromaticContact CE2-CG 3.88Å; Y27-H31 AromaticContact CE2-NE2 3.72Å; Y27-H31 AromaticContact CG-CD2 3.95Å; Y27-H31 AromaticContact CZ-CD2 3.92Å; Y27-H31 WeakPolarHBondContact O-CB 3.37Å; Y27-H31 PolarHBondContact O-CD2 2.9Å; Y27-H31 PolarHBondContact O-N 2.93Å; Y27-H32 AromaticContact CE1-NE2 3.96Å
28V91.1Very high86.1Confident43 Ų43111.9 Ų111.926%0.26155%0.554SS.*Hα-helixtrans-62.6-40.2179.5171.50000110.9L24 E26 Q30 H32 L36L24-V28 HydrophobicContact CD1-CG2 4.08Å; L24-V28 HydrophobicContact CG-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.02Å; E26-V28 PolarHBondContact O-N 3.48Å; V28-Q30 VanDerWaalsContact C-N 3.32Å; V28-Q30 PolarHBondContact O-N 2.9Å; V28-H32 HydrophobicContact CG1-CB 4.17Å; V28-H32 CarbonylContact O-C 3.42Å; V28-H32 WeakPolarHBondContact O-CA 3.45Å; V28-H32 WeakPolarHBondContact O-CB 3.34Å; V28-H32 PolarHBondContact O-N 3.46Å; V28-L36 HydrophobicContact CG1-CD1 4.46Å
29R86Confident84.4Confident170 Ų170110 Ų11064%0.64255%0.551SS**Hα-helixtrans-66.5-32175.7-81.9-155.5-71.6175-2.5113.5H25 E26 Y27 T33H25-R29 PolarHBondContact NE2-NE 3.29Å; H25-R29 VanDerWaalsContact NE2-NE 3.2Å; H25-R29 PolarHBondContact NE2-NH2 2.98Å; H25-R29 PolarHBondContact O-N 3.04Å; H25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 PolarHBondContact O-N 2.85Å; Y27-R29 VanDerWaalsContact C-N 3.32Å; Y27-R29 PolarHBondContact O-N 2.76Å; R29-T33 VanDerWaalsContact O-CG2 3.3Å; R29-T33 WeakPolarHBondContact O-CG2 3.29Å
30Q89.9Confident82.6Confident122 Ų122107.8 Ų107.857%0.5755%0.551SS**Hα-helixtrans-80.6-38.4179.1-70177.812.200112.5E26 Y27 V28E26-Q30 WeakPolarHBondContact O-CG 3.38Å; E26-Q30 PolarHBondContact O-N 2.89Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å; Y27-Q30 PolarHBondContact O-N 2.82Å; Y27-Q30 VanDerWaalsContact O-N 3.14Å; V28-Q30 VanDerWaalsContact C-N 3.32Å; V28-Q30 PolarHBondContact O-N 2.9Å
31H83.1Confident80.7Confident111 Ų111108.5 Ų108.551%0.51456%0.555SS.*Hα-helixtrans-107.6-15.8-169.2-66.6-78.4000114.9Y27Y27-H31 AromaticContact CD2-CD2 3.32Å; Y27-H31 WeakPolarHBondContact CD2-CD2 3.37Å; Y27-H31 AromaticContact CD2-NE2 3.85Å; Y27-H31 HydrophobicContact CE1-CB 4.32Å; Y27-H31 HydrophobicContact CE2-CB 4.45Å; Y27-H31 AromaticContact CE2-CD2 3.3Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.47Å; Y27-H31 AromaticContact CE2-CG 3.88Å; Y27-H31 AromaticContact CE2-NE2 3.72Å; Y27-H31 AromaticContact CG-CD2 3.95Å; Y27-H31 AromaticContact CZ-CD2 3.92Å; Y27-H31 WeakPolarHBondContact O-CB 3.37Å; Y27-H31 PolarHBondContact O-CD2 2.9Å; Y27-H31 PolarHBondContact O-N 2.93Å
32H82.5Confident78.3Confident51 Ų51109.7 Ų109.724%0.23657%0.571CS.*  trans-131.752.1-175.6-61.7-61.2000112.1Y27 V28 T34 G35Y27-H32 AromaticContact CE1-NE2 3.96Å; V28-H32 HydrophobicContact CG1-CB 4.17Å; V28-H32 CarbonylContact O-C 3.42Å; V28-H32 WeakPolarHBondContact O-CA 3.45Å; V28-H32 WeakPolarHBondContact O-CB 3.34Å; V28-H32 PolarHBondContact O-N 3.46Å; H32-T34 PolarHBondContact O-N 3.01Å; H32-G35 PolarHBondContact O-N 2.74Å
33T80.6Confident76.1Confident117 Ų117107.6 Ų107.672%0.71858%0.576SS**THydrogen-bonded Turntrans-63.4-22.1-175.852.70000114.7R29R29-T33 VanDerWaalsContact O-CG2 3.3Å; R29-T33 WeakPolarHBondContact O-CG2 3.29Å
34T79.1Confident74Confident137 Ų137108 Ų10884%0.8458%0.584SS**THydrogen-bonded Turntrans-111.68.4179.851.40000113.5H32H32-T34 PolarHBondContact O-N 3.01Å
35G73Confident71.9Confident37 Ų37109.5 Ų109.538%0.38160%0.596SS.*  trans117.9162.8-177.400000113.1H32 V37H32-G35 PolarHBondContact O-N 2.74Å; G35-V37 PolarHBondContact O-N 3.16Å
36L73.3Confident69.5Low141 Ų141110.8 Ų110.874%0.73861%0.613SS**  trans-71.2122.7175.7-87.9102.8000110.1V28V28-L36 HydrophobicContact CG1-CD1 4.46Å
37V70.5Confident67Low85 Ų85114.2 Ų114.252%0.51563%0.632SS.*  trans-104.8121.7174.4-178.50000107.9G35G35-V37 PolarHBondContact O-N 3.16Å
38W60.1Low64.5Low247 Ų247114.7 Ų114.794%0.93665%0.651SS**SBendtrans-96.2129.7170.1-167.8-97.9000108.3
39N58.3Low62Low107 Ų107120 Ų12057%0.57268%0.678SS**  trans67.159.1176.4-145.932.4000114.5D41N39-D41 PolarHBondContact O-N 3.11Å
40S59.2Low59.7Low95 Ų95122.4 Ų122.466%0.66469%0.687SS**SBendtrans-61.2-11.2-179.5-38.70000114.9
41D56.3Low57.1Low118 Ų118125.8 Ų125.863%0.63170%0.699SS**SBendtrans-114.1111.6174.5-85-48.2000110.8N39 G43N39-D41 PolarHBondContact O-N 3.11Å; D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 PolarHBondContact O-N 3.23Å
42P43.4Very low54.8Low135 Ų135126.1 Ų126.188%0.87772%0.715SS**THydrogen-bonded Turntrans-71.890.9169.928.9-28.8000108.8
43G50.6Low52.4Low66 Ų66127.8 Ų127.868%0.6875%0.745SS**THydrogen-bonded Turntrans152.2-6.8173.500000117.4D41 T45D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 PolarHBondContact O-N 3.23Å; G43-T45 PolarHBondContact O-N 3.48Å; G43-T45 VanDerWaalsContact O-N 3.09Å
44A48.6Very low50Low69 Ų69125.9 Ų125.957%0.5775%0.749SS**  trans-81.390.8179.700000111.8
45T47.9Very low48Very low117 Ų117124.1 Ų124.172%0.71875%0.748SS**  trans-68.2138.316451.80000110.2G43 M47G43-T45 PolarHBondContact O-N 3.48Å; G43-T45 VanDerWaalsContact O-N 3.09Å; T45-M47 PolarHBondContact O-N 3.36Å
46P42.1Very low46.4Very low128 Ų128128.4 Ų128.483%0.83177%0.77SS**  trans-65111.3173.225.7-30.6000109.1C48P46-C48 PolarHBondContact O-N 3.16Å
47M39.8Very low45Very low185 Ų185128 Ų12891%0.91177%0.773SS**  trans-69.899.7-177.6-137.4-179.7-160.300109.3T45 N49T45-M47 PolarHBondContact O-N 3.36Å; M47-N49 PolarHBondContact O-N 3.28Å
48C39.8Very low43.7Very low128 Ų128129.4 Ų129.487%0.86578%0.784SS**  trans-79.1103.9162.9-158.30000107.3P46P46-C48 PolarHBondContact O-N 3.16Å
49N37.1Very low43.1Very low153 Ų153123.2 Ų123.282%0.81878%0.776SS**  trans-145.6122.1158.5-148.919000112.4M47M47-N49 PolarHBondContact O-N 3.28Å
50R37.9Very low42.3Very low222 Ų222123.8 Ų123.884%0.83879%0.785SS**  trans-81.2132.5169.5-70.7173.3166.6177.5-4.9108.8
51K35.9Very low41.7Very low192 Ų192125 Ų12584%0.83579%0.791SS**  162.4141.9108.4-86.9-172-178.5-179.80113.8
52S35.4Very low41.1Very low119 Ų119125 Ų12583%0.83280%0.797SS**  trans71.4114.914758.70000122.8
53G30.6Very low41Very low85 Ų85124.4 Ų124.488%0.87679%0.793SS**  115.8114.7123.100000118.2
54G31.1Very low40.7Very low78 Ų78126.9 Ų126.980%0.80480%0.797SS**  trans137.3102.7150.100000119.1
55A36.9Very low40.2Very low99 Ų99129.8 Ų129.882%0.81881%0.811SS**  trans65.8145.6148.700000122.6
56P40.8Very low39.7Very low128 Ų128132.2 Ų132.283%0.83182%0.817SS**PPolyproline II helixtrans-90.8145.4-174.136.3-31.3000113.3
57T43.4Very low39.3Very low133 Ų133131.9 Ų131.982%0.81682%0.818SS**PPolyproline II helixtrans-88.3148.6173.750.20000112.2
58P42.7Very low39.1Very low114 Ų114130.6 Ų130.674%0.7481%0.814SS**PPolyproline II helixtrans-74.8159.1-172.430.9-34.9000113.8
59P47.2Very low38.9Very low117 Ų117132.4 Ų132.476%0.7681%0.813SS**PPolyproline II helixtrans-77.7152-177.831.7-33.7000112.8
60P42.8Very low38.7Very low119 Ų119129.5 Ų129.577%0.77381%0.811SS**PPolyproline II helixtrans-75.8155.7179.930.9-33.8000113.1
61P46.2Very low38.6Very low120 Ų120125 Ų12578%0.77981%0.81SS**PPolyproline II helixtrans-77.1158.2-176.931.2-34.2000113.4
62P43.3Very low38.4Very low118 Ų118121.3 Ų121.377%0.76681%0.808SS**PPolyproline II helixtrans-81.1152.9-17632.6-33.3000113
63P40.7Very low38.5Very low122 Ų122125.5 Ų125.579%0.79281%0.812SS**PPolyproline II helixtrans-80.4153.3-18031.5-32.7000113.2
64P44.9Very low38.8Very low119 Ų119127.7 Ų127.777%0.77381%0.81SS**PPolyproline II helixtrans-81.8162178.532.8-33.3000113.5
65P38.8Very low39.5Very low130 Ų130130.2 Ų130.284%0.84482%0.816SS**PPolyproline II helixtrans-87.7151.9-169.534-32.6000114.3
66I36.9Very low40.2Very low167 Ų167128.4 Ų128.486%0.85681%0.807SS**PPolyproline II helixtrans-89.2135.2178.9-63.4168.7000110.6
67S33.4Very low40.9Very low121 Ų121127.7 Ų127.785%0.84680%0.8SS**  trans-107138.4167.7-99.70000111.9
68L35.9Very low41.1Very low158 Ų158124.1 Ų124.183%0.82779%0.79SS**  trans-79.2155.5176.2-67.3156.9000111.4
69I34.3Very low41.5Very low167 Ų167122.8 Ų122.886%0.85679%0.788SS**  163.7124.1127.3-81.3156.1000114.1
70A32.7Very low41.8Very low92 Ų92122.9 Ų122.976%0.7678%0.782SS**  trans63.3153.8138.200000125.5
71P37.2Very low42.5Very low126 Ų126123.1 Ų123.182%0.81878%0.776SS**  trans-115165.6-153.540.6-27.7000115.6
72S31.5Very low42.9Very low115 Ų115124.8 Ų124.880%0.80477%0.773SS**  trans-147.8126.5158.659.70000114.9
73K38.3Very low43.5Very low208 Ų208122.4 Ų122.490%0.90476%0.759SS**  trans40.5136.8154.4-61.4-177.1-177.8178.70123
74P36.9Very low44.1Very low130 Ų130123.1 Ų123.184%0.84476%0.756SS**  trans-94.8147.9-17337.4-33.1000114.3
75S44.2Very low44.7Very low131 Ų131124.5 Ų124.592%0.91676%0.757SS**  trans-147.1137.7157.2179.20000110.1
76G51.2Low45.6Very low62 Ų62122.5 Ų122.564%0.63974%0.742SS**SBendtrans112.538.3145.800000120.2
77V55.6Low46.6Very low112 Ų112117.5 Ų117.568%0.67973%0.732SS**SBendtrans-136.1-13.8162.5-71.50000115.5A79 L80V77-A79 PolarHBondContact O-N 3.26Å; V77-L80 PolarHBondContact O-N 3.3Å
78G48.9Very low47.6Very low59 Ų59119.4 Ų119.461%0.60873%0.732SS**Hα-helixtrans-65.4-33.8179.300000114.2L80G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å
79A51.4Low48.5Very low86 Ų86115.5 Ų115.571%0.71172%0.717SS**Hα-helixtrans-72-21.5-177.800000114.1V77V77-A79 PolarHBondContact O-N 3.26Å
80L53.6Low49.3Very low119 Ų119111 Ų11162%0.62371%0.706SS**Hα-helixtrans-85.3-32.9-177.2-85.7160.8000112.5V77 G78 S83V77-L80 PolarHBondContact O-N 3.3Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å; L80-S83 PolarHBondContact O-N 3.44Å; L80-S83 PolarHBondContact O-OG 2.78Å
81L55.9Low50.2Low123 Ų123111.1 Ų111.164%0.64470%0.697SS**Hα-helixtrans-75.8-24.7178.3-82.1152.4000113L84L81-L84 PolarHBondContact O-N 2.81Å
82E54.8Low51.3Low156 Ų156109.9 Ų109.973%0.72969%0.691SS**Hα-helixtrans-73.4-30.9174.7-162.9158.2-152.200112.2L84E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.4Å
83S55.6Low52.6Low67 Ų67115.7 Ų115.747%0.46970%0.695SS.*Hα-helixtrans-69.3-24.9175.273.50000114.1L80 T86L80-S83 PolarHBondContact O-N 3.44Å; L80-S83 PolarHBondContact O-OG 2.78Å; S83-T86 PolarHBondContact O-OG1 2.63Å
84L55Low53.6Low137 Ų137111.9 Ų111.972%0.71768%0.684SS**Hα-helixtrans-88.6-12.7-176.2-74.7166.5000113.7L81 E82 T86L81-L84 PolarHBondContact O-N 2.81Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.4Å; L84-T86 VanDerWaalsContact C-N 3.31Å; L84-T86 PolarHBondContact O-N 2.87Å
85N56.8Low54.9Low148 Ų148115.5 Ų115.579%0.79169%0.686SS**THydrogen-bonded Turntrans-90.618.3176.4-91.1-20.7000114G87N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 2.82Å
86T57.1Low55.8Low89 Ų89118.6 Ų118.655%0.54668%0.683SS.*  trans-83.572.2174.145.20000111.5S83 L84S83-T86 PolarHBondContact O-OG1 2.63Å; L84-T86 VanDerWaalsContact C-N 3.31Å; L84-T86 PolarHBondContact O-N 2.87Å
87G57.9Low56Low61 Ų61119.8 Ų119.863%0.62968%0.678SS**THydrogen-bonded Turntrans-54.5155168.300000113N85 S89N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 2.82Å; G87-S89 PolarHBondContact O-N 2.82Å
88L53.9Low56.7Low162 Ų162117.5 Ų117.585%0.84866%0.664SS**THydrogen-bonded Turntrans52.1-20.9178.6-81.5149.2000118.4A90 T91L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 3.1Å; L88-T91 PolarHBondContact O-OG1 3.13Å
89S54.7Low57.2Low75 Ų75118.5 Ų118.552%0.52466%0.661SS.*G310 helixtrans-79.6-12.4178.4-65.40000113.6G87 T91 S92G87-S89 PolarHBondContact O-N 2.82Å; S89-T91 PolarHBondContact O-N 2.87Å; S89-S92 WeakPolarHBondContact O-CB 3.3Å; S89-S92 PolarHBondContact O-N 2.96Å
90A52.8Low57.6Low74 Ų74120.9 Ų120.961%0.61266%0.657SS**G310 helixtrans-65.2-20.4173.300000113.3L88 S92L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 3.1Å; A90-S92 VanDerWaalsContact C-N 3.35Å
91T51.5Low57.9Low93 Ų93121.3 Ų121.357%0.57166%0.657SS**G310 helixtrans-80.3-15.2178.163.70000113.5L88 S89 R93 L94L88-T91 PolarHBondContact O-OG1 3.13Å; S89-T91 PolarHBondContact O-N 2.87Å; T91-R93 PolarHBondContact O-N 2.86Å; T91-L94 PolarHBondContact O-N 2.8Å
92S58.9Low58.3Low100 Ų100119.2 Ų119.270%0.69964%0.644SS**G310 helixtrans-74.1-12.1178.4-53.50000113.7S89 A90S89-S92 WeakPolarHBondContact O-CB 3.3Å; S89-S92 PolarHBondContact O-N 2.96Å; A90-S92 VanDerWaalsContact C-N 3.35Å
93R60.5Low58.4Low237 Ų237116.6 Ų116.689%0.89464%0.639SS**G310 helixtrans-90.6-4.1177.5-65.2-171.8-176.6-143.92113.7T91T91-R93 PolarHBondContact O-N 2.86Å
94L58.3Low58.7Low128 Ų128120.5 Ų120.567%0.6765%0.649SS**SBendtrans-87.2131.1174.7-80.1143.9000110T91 K96T91-L94 PolarHBondContact O-N 2.8Å; L94-K96 PolarHBondContact O-N 2.85Å
95K63.4Low58.9Low206 Ų206120.7 Ų120.790%0.89664%0.644SS**PPolyproline II helixtrans-62.3117.1178.4-157177.8-174.6-176.80108.9V97K95-V97 PolarHBondContact O-N 3.15Å
96K63.8Low58.6Low196 Ų196115.6 Ų115.685%0.85262%0.617SS**PPolyproline II helixtrans-65.8129.6178.6-74.1-174.3177.7-179.10110.1L94 T98L94-K96 PolarHBondContact O-N 2.85Å; K96-T98 PolarHBondContact O-N 2.79Å
97V56.5Low58.7Low87 Ų87116 Ų11653%0.52762%0.621SS.*PPolyproline II helixtrans-71.8117.8176.7-179.40000108.6K95 M101 Q102K95-V97 PolarHBondContact O-N 3.15Å; V97-M101 HydrophobicContact CG1-CB 3.54Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 4.32Å; V97-Q102 HydrophobicContact CG1-CG 4.33Å
98T69.4Low58.9Low64 Ų64118 Ų11839%0.39362%0.621SS.*PPolyproline II helixtrans-72.7155.6178.352.30000111K96 E100 M101K96-T98 PolarHBondContact O-N 2.79Å; T98-E100 PolarHBondContact O-N 2.85Å; T98-M101 WeakPolarHBondContact O-CB 3.41Å; T98-M101 PolarHBondContact O-N 3.31Å
99P59.8Low58.8Low81 Ų81114.8 Ų114.853%0.52660%0.604SS.*G310 helixtrans-55.6-24.8-178.3-25.534.5000114.6M101 Q102P99-M101 VanDerWaalsContact C-N 3.29Å; P99-M101 PolarHBondContact O-N 2.8Å; P99-Q102 PolarHBondContact O-N 2.88Å
100E59Low58.8Low135 Ų135117.9 Ų117.963%0.63160%0.604SS**G310 helixtrans-68.3-25.9176.9-65.1146.1-16000113.4T98 N106T98-E100 PolarHBondContact O-N 2.85Å; E100-N106 PolarHBondContact O-ND2 3.4Å
101M60.2Low58.7Low129 Ų129122.4 Ų122.464%0.63561%0.613SS**G310 helixtrans-89.1-2.7178.2-64.3179.972.900112.7V97 T98 P99V97-M101 HydrophobicContact CG1-CB 3.54Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 4.32Å; T98-M101 WeakPolarHBondContact O-CB 3.41Å; T98-M101 PolarHBondContact O-N 3.31Å; P99-M101 VanDerWaalsContact C-N 3.29Å; P99-M101 PolarHBondContact O-N 2.8Å
102Q63.4Low58.5Low78 Ų78124 Ų12436%0.36462%0.623SS.*  trans-92.2110.1176.5-63.2-179.7-1.700109V97 P99 H104 K105 N106V97-Q102 HydrophobicContact CG1-CG 4.33Å; P99-Q102 PolarHBondContact O-N 2.88Å; Q102-H104 PolarHBondContact O-N 3Å; Q102-K105 PolarHBondContact O-N 3.13Å; Q102-N106 PolarHBondContact O-N 3.11Å
103T58.2Low58.1Low101 Ų101127.2 Ų127.262%0.6263%0.632SS**THydrogen-bonded Turntrans-57.1-18.8-178.353.20000114R110T103-R110 PolarHBondContact O-NE 3.19Å
104H60.7Low57.2Low149 Ų149118.8 Ų118.869%0.6962%0.619SS**THydrogen-bonded Turntrans-83.1-18.8175.1-164.6-90.4000114.1Q102 R110Q102-H104 PolarHBondContact O-N 3Å; H104-R110 PolarHBondContact CD2-NH2 2.99Å; H104-R110 PolarHBondContact NE2-NH2 3.3Å; H104-R110 PolarHBondContact O-NH2 2.95Å
105K60.1Low56.2Low141 Ų141122 Ų12261%0.61363%0.63SS**THydrogen-bonded Turntrans-112.1-10.1-174.8-67.4-169.7179.1-175.30114.8Q102Q102-K105 PolarHBondContact O-N 3.13Å
106N50.8Low55.2Low42 Ų42120 Ų12023%0.22563%0.626CS.*  trans-110.7105.3178.1-167.9-11.7000110.7E100 Q102 V108 L109E100-N106 PolarHBondContact O-ND2 3.4Å; Q102-N106 PolarHBondContact O-N 3.11Å; N106-V108 PolarHBondContact O-N 2.81Å; N106-V108 PolarHBondContact OD1-N 3.08Å; N106-L109 HydrophobicContact CB-CD1 4.14Å; N106-L109 HydrophobicContact CB-CG 4.47Å; N106-L109 PolarHBondContact O-N 3.07Å
107P59.4Low54Low96 Ų96117.9 Ų117.962%0.62362%0.624SS**G310 helixtrans-60.9-29.1-176.3-21.832.1000114.1L109 R110P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.47Å; P107-R110 PolarHBondContact O-N 3.03Å; P107-R110 VanDerWaalsContact O-N 3.16Å
108V60.8Low53.5Low105 Ų105124.1 Ų124.164%0.63664%0.638SS**G310 helixtrans-68-27.3-178.2-177.50000112.2N106 R110N106-V108 PolarHBondContact O-N 2.81Å; N106-V108 PolarHBondContact OD1-N 3.08Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 2.93Å
109L52.1Low52Low94 Ų94130 Ų13049%0.49266%0.658SS.*G310 helixtrans-80.5-8176.9-70173000113.4N106 P107N106-L109 HydrophobicContact CB-CD1 4.14Å; N106-L109 HydrophobicContact CB-CG 4.47Å; N106-L109 PolarHBondContact O-N 3.07Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.47Å
110R55.2Low51.3Low139 Ų139133 Ų13353%0.52568%0.676SS.*THydrogen-bonded Turntrans-90.5-20.2177.2-65.7-173.9-178.2-171.90.5113.3T103 H104 P107 V108 V112T103-R110 PolarHBondContact O-NE 3.19Å; H104-R110 PolarHBondContact CD2-NH2 2.99Å; H104-R110 PolarHBondContact NE2-NH2 3.3Å; H104-R110 PolarHBondContact O-NH2 2.95Å; P107-R110 PolarHBondContact O-N 3.03Å; P107-R110 VanDerWaalsContact O-N 3.16Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 2.93Å; R110-V112 PolarHBondContact O-N 2.91Å
111E50.5Low50.6Low169 Ų169134.6 Ų134.679%0.7968%0.683SS**THydrogen-bonded Turntrans-80.1-9-173.9-71-169.5154.200114.8N113E111-N113 PolarHBondContact O-N 2.7Å
112V47.6Very low50.2Low128 Ų128137.7 Ų137.778%0.77670%0.696SS**THydrogen-bonded Turntrans-84.413.2-179.5-155.80000113.1R110R110-V112 PolarHBondContact O-N 2.91Å
113N50Low49Very low166 Ų166145.1 Ų145.189%0.88872%0.72SS**  trans-126.355.3178.2-124.512.1000112.9E111E111-N113 PolarHBondContact O-N 2.7Å
114G42.9Very low48.3Very low60 Ų60149.8 Ų149.862%0.61973%0.732SS**  trans-140.691.9170.500000111.7
115Q35.9Very low47.5Very low197 Ų197148.9 Ų148.992%0.92174%0.737SS**  trans154.2101.6136.4-83.7172.6-15.900111.3N117Q115-N117 PolarHBondContact O-N 3.48Å
116M43.7Very low46.8Very low163 Ų163147.5 Ų147.580%0.80375%0.745SS**  trans-66.9107.6162.4179.3176.8-17700108.3R118M116-R118 HydrophobicContact CE-CG 4.42Å
117N37.3Very low46.6Very low151 Ų151151.8 Ų151.881%0.80776%0.764SS**  trans-119.3110.2161.1-144.20.5000108.1Q115 K119Q115-N117 PolarHBondContact O-N 3.48Å; N117-K119 PolarHBondContact O-N 3.42Å; N117-K119 VanDerWaalsContact O-N 3.16Å
118R46.7Very low45.9Very low219 Ų219155.3 Ų155.383%0.82678%0.777SS**  trans-67.1106.5176.8-101.1175.8169.4154-4.6108.6M116M116-R118 HydrophobicContact CE-CG 4.42Å
119K38.4Very low45.5Very low186 Ų186157 Ų15781%0.80978%0.776SS**  trans-122.2124.2150.9-83.9-173175.4-176.90108.4N117 E121N117-K119 PolarHBondContact O-N 3.42Å; N117-K119 VanDerWaalsContact O-N 3.16Å; K119-E121 PolarHBondContact O-N 3.42Å; K119-E121 VanDerWaalsContact O-N 3.11Å
120T45.4Very low44.9Very low146 Ų146161.6 Ų161.690%0.89679%0.792SS**  trans-70.696.6177.5-41.20000108.1
121E42.5Very low44.4Very low167 Ų167161 Ų16178%0.7881%0.806SS**  trans-121122.6163.3-80.2-178.2173.500107.9K119 R123K119-E121 PolarHBondContact O-N 3.42Å; K119-E121 VanDerWaalsContact O-N 3.11Å; E121-R123 PolarHBondContact O-N 2.97Å
122E52.2Low44.8Very low194 Ų194161.1 Ų161.191%0.90781%0.807SS**  trans-59.298.8178.5-66.7175.7161.300109.9K124E122-K124 PolarHBondContact O-N 3.34Å
123R38.7Very low45.2Very low234 Ų234163.5 Ų163.588%0.88381%0.806SS**  trans-73.999.2170.3-77.1-176.6178.8-176.8-0.4108.9E121 V125E121-R123 PolarHBondContact O-N 2.97Å; R123-V125 PolarHBondContact O-N 3.04Å
124K44.4Very low45.5Very low200 Ų200163.6 Ų163.687%0.8781%0.805SS**  trans-55.2108.8157.6-74.7-175.8177.6-179.70108.1E122 S126E122-K124 PolarHBondContact O-N 3.34Å; K124-S126 PolarHBondContact O-N 3.05Å; K124-S126 VanDerWaalsContact O-N 3.08Å
125V42.5Very low46.5Very low129 Ų129165.5 Ų165.578%0.78280%0.798SS**  trans-69102.3167.6-179.20000106.4R123 E127R123-V125 PolarHBondContact O-N 3.04Å; V125-E127 PolarHBondContact O-N 3.4Å
126S45.6Very low48.6Very low113 Ų113164.4 Ų164.479%0.7979%0.793SS**  trans-72.483.5166.540.50000108.4K124 N128K124-S126 PolarHBondContact O-N 3.05Å; K124-S126 VanDerWaalsContact O-N 3.08Å; S126-N128 PolarHBondContact O-N 2.92Å
127E47.3Very low50.8Low132 Ų132159.9 Ų159.962%0.61778%0.777SS**  trans-66.998.3166.6-154.9-175.1-163.700107V125 K129V125-E127 PolarHBondContact O-N 3.4Å; E127-K129 HydrophobicContact CG-CG 4.36Å; E127-K129 PolarHBondContact O-N 2.77Å; E127-K129 WeakPolarHBondContact OE1-CE 3.31Å; E127-K129 IonicContact OE1-NZ 4Å; E127-K129 PolarHBondContact OE1-NZ 2.88Å; E127-K129 WeakPolarHBondContact OE2-CE 3.12Å; E127-K129 IonicContact OE2-NZ 2.85Å; E127-K129 PolarHBondContact OE2-NZ 3.15Å
128N44.9Very low53.4Low169 Ų169154.6 Ų154.690%0.90475%0.752SS**  trans-74.862.2177.9-148.527000109.4S126 K130S126-N128 PolarHBondContact O-N 2.92Å; N128-K130 PolarHBondContact O-N 3.43Å
129K52.3Low55.7Low141 Ų141147.1 Ų147.161%0.61373%0.728SS**  trans-69.5122.2161.6-83.6174.6179141.90106E127E127-K129 HydrophobicContact CG-CG 4.36Å; E127-K129 PolarHBondContact O-N 2.77Å; E127-K129 WeakPolarHBondContact OE1-CE 3.31Å; E127-K129 IonicContact OE1-NZ 4Å; E127-K129 PolarHBondContact OE1-NZ 2.88Å; E127-K129 WeakPolarHBondContact OE2-CE 3.12Å; E127-K129 IonicContact OE2-NZ 2.85Å; E127-K129 PolarHBondContact OE2-NZ 3.15Å
130K39.1Very low58.4Low191 Ų191142.4 Ų142.483%0.8371%0.707SS**  trans-43.1132.4162.7-87.8177.8174.1176.90107.3N128 E132N128-K130 PolarHBondContact O-N 3.43Å; K130-E132 PolarHBondContact O-N 3.37Å
131P45.3Very low60.7Low126 Ų126141.3 Ų141.382%0.81869%0.687SS**  trans-58.3107175.322.7-30.3000107K133P131-K133 PolarHBondContact O-N 2.98Å
132E57.5Low63.1Low171 Ų171136.7 Ų136.780%0.79967%0.668SS**  trans-55.1128.8161.8-80.3-175.5145.700105.2K130 I134K130-E132 PolarHBondContact O-N 3.37Å; E132-I134 PolarHBondContact O-N 3.13Å
133K55.4Low64.9Low178 Ų178129.5 Ų129.577%0.77465%0.646SS**  trans-49.8116.1174.7-70.5179178.1-177.30106.4P131 H135P131-K133 PolarHBondContact O-N 2.98Å; K133-H135 PolarHBondContact O-CD2 2.97Å; K133-H135 VanDerWaalsContact O-CD2 3.26Å; K133-H135 PolarHBondContact O-N 2.83Å
134I57.8Low67.4Low169 Ų169125.1 Ų125.187%0.86763%0.633SS**  trans-64.795.4175.2-58.9170.9000104.7E132E132-I134 PolarHBondContact O-N 3.13Å
135H63.7Low69.9Low100 Ų100118.3 Ų118.346%0.46361%0.605SS.*PPolyproline II helixtrans-69.9131.3166.5-75.4-85000106.3K133 S137 H150K133-H135 PolarHBondContact O-CD2 2.97Å; K133-H135 VanDerWaalsContact O-CD2 3.26Å; K133-H135 PolarHBondContact O-N 2.83Å; H135-S137 PolarHBondContact O-N 2.82Å; H135-H150 HydrophobicContact CB-CB 3.99Å; H135-H150 WeakPolarHBondContact CB-CD2 3.32Å; H135-H150 VanDerWaalsContact CB-CG 3.41Å; H135-H150 AromaticContact CD2-CD2 3.96Å; H135-H150 AromaticContact CD2-NE2 3.65Å; H135-H150 AromaticContact CG-CD2 3.8Å; H135-H150 AromaticContact CG-CE1 3.86Å; H135-H150 AromaticContact CG-NE2 3.54Å
136E80.4Confident72.5Confident174 Ų174114.8 Ų114.881%0.81358%0.578SS**PPolyproline II helixtrans-62.3122.5179.9-169.8167.5-164.200109.1S138E136-S138 PolarHBondContact O-N 3.03Å
137S89.3Confident75Confident68 Ų68112.2 Ų112.248%0.47655%0.553SS.*PPolyproline II helixtrans-60.5124.7176.755.90000108.8H135 D149 H150H135-S137 PolarHBondContact O-N 2.82Å; S137-D149 WeakPolarHBondContact CA-O 3.22Å; S137-H150 WeakPolarHBondContact CB-O 3.41Å
138S92.3Very high77.4Confident39 Ų39106 Ų10627%0.27352%0.523SS..EExtended strand (participates in β ladder)trans-137.7146.9-177.958.50000111.6E136 D149 Q151E136-S138 PolarHBondContact O-N 3.03Å; S138-D149 PolarHBondContact N-O 3.43Å; S138-D149 PolarHBondContact O-N 2.77Å; S138-Q151 PolarHBondContact O-NE2 2.9Å
139I95.1Very high79.8Confident62 Ų6299.3 Ų99.332%0.31849%0.488SS..EExtended strand (participates in β ladder)trans-129.6116.1169.1-58.1-179.6000105.5W146 K147 V148 A157 V159I139-W146 HydrophobicContact CG2-CE3 4.36Å; I139-W146 HydrophobicContact CG2-CZ3 4.49Å; I139-K147 VanDerWaalsContact CA-O 3.29Å; I139-K147 WeakPolarHBondContact CA-O 3.43Å; I139-V148 HydrophobicContact CD1-CG1 4.41Å; I139-V148 HydrophobicContact CG1-CG1 4.18Å; I139-V148 HydrophobicContact CG1-CG2 4.5Å; I139-V148 HydrophobicContact CG2-CG2 4.31Å; I139-A157 HydrophobicContact CD1-CB 4.01Å; I139-V159 HydrophobicContact CG2-CG2 4.11Å
140F94.1Very high81.9Confident88 Ų8894 Ų9439%0.38647%0.465SS..EExtended strand (participates in β ladder)trans-150.7154.4178.567.1-84.5000111.6D142 K147F140-D142 HydrophobicContact CE2-CB 4.49Å; F140-K147 HydrophobicContact CD1-CB 4.33Å; F140-K147 HydrophobicContact CE1-CB 3.95Å; F140-K147 HydrophobicContact CE1-CD 4.33Å; F140-K147 HydrophobicContact CE2-CB 4.37Å; F140-K147 HydrophobicContact CE2-CD 3.8Å; F140-K147 HydrophobicContact CZ-CB 3.98Å; F140-K147 HydrophobicContact CZ-CD 3.55Å; F140-K147 HydrophobicContact CZ-CG 4.36Å; F140-K147 PolarHBondContact N-O 2.81Å; F140-K147 PolarHBondContact O-N 2.78Å
141W94.9Very high84.5Confident123 Ų12385.3 Ų85.347%0.46643%0.427SS..EExtended strand (participates in β ladder)trans-100.3130.3177.5-177.279.2000109.9G143 W146 E166W141-G143 VanDerWaalsContact CH2-CA 3.44Å; W141-G143 VanDerWaalsContact CZ2-CA 3.49Å; W141-G143 VanDerWaalsContact CZ2-O 3.23Å; W141-G143 WeakPolarHBondContact CZ2-O 3.22Å; W141-W146 HydrophobicContact CB-CD2 3.94Å; W141-W146 HydrophobicContact CB-CE3 3.85Å; W141-W146 HydrophobicContact CB-CH2 3.94Å; W141-W146 HydrophobicContact CB-CZ2 4.01Å; W141-W146 HydrophobicContact CB-CZ3 3.85Å; W141-W146 AromaticContact CD1-CD1 3.63Å; W141-W146 AromaticContact CD1-CD2 3.74Å; W141-W146 AromaticContact CD1-CE2 3.43Å; W141-W146 VanDerWaalsContact CD1-CE2 3.43Å; W141-W146 AromaticContact CD1-CG 3.87Å; W141-W146 AromaticContact CD1-CZ2 3.99Å; W141-W146 AromaticContact CD1-NE1 3.35Å; W141-W146 VanDerWaalsContact CD1-NE1 3.35Å; W141-W146 HydrophobicContact CG-CD2 4.24Å; W141-W146 AromaticContact CG-CE2 4Å; W141-W146 HydrophobicContact CG-CZ2 4.18Å; W141-W146 AromaticContact NE1-NE1 3.87Å; W141-E166 PolarHBondContact NE1-OE1 2.95Å
142D91.7Very high86.9Confident70 Ų7084.3 Ų84.337%0.37442%0.419SS..  trans-998.4-175.976.24.5000114.6F140 K144 I145 K147F140-D142 HydrophobicContact CE2-CB 4.49Å; D142-K144 PolarHBondContact OD1-N 2.93Å; D142-K144 VanDerWaalsContact OD1-N 3.08Å; D142-I145 VanDerWaalsContact CG-O 3.29Å; D142-I145 PolarHBondContact N-O 3.44Å; D142-I145 WeakPolarHBondContact OD1-CA 3.46Å; D142-I145 PolarHBondContact OD1-N 2.81Å; D142-I145 VanDerWaalsContact OD1-O 3.07Å; D142-K147 WeakPolarHBondContact OD2-CE 3.23Å; D142-K147 IonicContact OD2-NZ 2.79Å; D142-K147 PolarHBondContact OD2-NZ 3.03Å
143G89.6Confident88.7Confident43 Ų4378.1 Ų78.144%0.44340%0.401SS..SBendtrans105.9-16.4-174.300000114.1W141W141-G143 VanDerWaalsContact CH2-CA 3.44Å; W141-G143 VanDerWaalsContact CZ2-CA 3.49Å; W141-G143 VanDerWaalsContact CZ2-O 3.23Å; W141-G143 WeakPolarHBondContact CZ2-O 3.22Å
144K91.4Very high90.5Very high142 Ų14272 Ų7262%0.61738%0.377SS*.SBendtrans-152.1-32.2-179.4-175.9177.4178.1-175.70113.1D142 E166 S167D142-K144 PolarHBondContact OD1-N 2.93Å; D142-K144 VanDerWaalsContact OD1-N 3.08Å; K144-E166 WeakPolarHBondContact O-CA 3.18Å; K144-S167 PolarHBondContact O-N 3.07Å; K144-S167 VanDerWaalsContact O-N 3.13Å
145I96.6Very high92.2Very high57 Ų5767.6 Ų67.629%0.29235%0.351SS..EExtended strand (participates in β ladder)trans-122.3127.9-174.2-53.9178.2000108.4D142 S167D142-I145 VanDerWaalsContact CG-O 3.29Å; D142-I145 PolarHBondContact N-O 3.44Å; D142-I145 WeakPolarHBondContact OD1-CA 3.46Å; D142-I145 PolarHBondContact OD1-N 2.81Å; D142-I145 VanDerWaalsContact OD1-O 3.07Å; I145-S167 CarbonylContact C-O 3.49Å; I145-S167 VanDerWaalsContact CA-O 3.23Å; I145-S167 WeakPolarHBondContact CA-O 3.23Å
146W98.1Very high93.7Very high54 Ų5468.9 Ų68.921%0.20536%0.362CS..EExtended strand (participates in β ladder)trans-78.3122.5165.8-75.496.8000109.2I139 W141 V159 E160 E166 S167 I168 Y169I139-W146 HydrophobicContact CG2-CE3 4.36Å; I139-W146 HydrophobicContact CG2-CZ3 4.49Å; W141-W146 HydrophobicContact CB-CD2 3.94Å; W141-W146 HydrophobicContact CB-CE3 3.85Å; W141-W146 HydrophobicContact CB-CH2 3.94Å; W141-W146 HydrophobicContact CB-CZ2 4.01Å; W141-W146 HydrophobicContact CB-CZ3 3.85Å; W141-W146 AromaticContact CD1-CD1 3.63Å; W141-W146 AromaticContact CD1-CD2 3.74Å; W141-W146 AromaticContact CD1-CE2 3.43Å; W141-W146 VanDerWaalsContact CD1-CE2 3.43Å; W141-W146 AromaticContact CD1-CG 3.87Å; W141-W146 AromaticContact CD1-CZ2 3.99Å; W141-W146 AromaticContact CD1-NE1 3.35Å; W141-W146 VanDerWaalsContact CD1-NE1 3.35Å; W141-W146 HydrophobicContact CG-CD2 4.24Å; W141-W146 AromaticContact CG-CE2 4Å; W141-W146 HydrophobicContact CG-CZ2 4.18Å; W141-W146 AromaticContact NE1-NE1 3.87Å; W146-V159 HydrophobicContact CB-CG1 3.89Å; W146-V159 HydrophobicContact CD2-CG1 3.53Å; W146-V159 HydrophobicContact CE3-CG1 3.86Å; W146-V159 HydrophobicContact CG-CG1 3.54Å; W146-E160 WeakPolarHBondContact CZ2-O 3.15Å; W146-E166 PolarHBondContact NE1-OE2 3.04Å; W146-S167 PolarHBondContact N-O 3.08Å; W146-I168 HydrophobicContact CB-CB 4.45Å; W146-I168 HydrophobicContact CB-CG1 4.07Å; W146-I168 HydrophobicContact CB-CG2 4.26Å; W146-I168 CarbonylContact O-C 3.58Å; W146-I168 WeakPolarHBondContact O-CA 3.49Å; W146-Y169 PolarHBondContact O-N 3.47Å
147K97.8Very high94.3Very high60 Ų6060.7 Ų60.726%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-102.8122.7176.1-69.8175.8-178.1154.40109.4I139 F140 D142 Y169I139-K147 VanDerWaalsContact CA-O 3.29Å; I139-K147 WeakPolarHBondContact CA-O 3.43Å; F140-K147 HydrophobicContact CD1-CB 4.33Å; F140-K147 HydrophobicContact CE1-CB 3.95Å; F140-K147 HydrophobicContact CE1-CD 4.33Å; F140-K147 HydrophobicContact CE2-CB 4.37Å; F140-K147 HydrophobicContact CE2-CD 3.8Å; F140-K147 HydrophobicContact CZ-CB 3.98Å; F140-K147 HydrophobicContact CZ-CD 3.55Å; F140-K147 HydrophobicContact CZ-CG 4.36Å; F140-K147 PolarHBondContact N-O 2.81Å; F140-K147 PolarHBondContact O-N 2.78Å; D142-K147 WeakPolarHBondContact OD2-CE 3.23Å; D142-K147 IonicContact OD2-NZ 2.79Å; D142-K147 PolarHBondContact OD2-NZ 3.03Å; K147-Y169 WeakPolarHBondContact CA-O 3.32Å
148V97.6Very high94.7Very high0 Ų060.2 Ų60.20%032%0.318CS..EExtended strand (participates in β ladder)trans-117.594.1176.6-177.40000107.1I139 Q151 V159 I168 Y169 I170 Y171 I178I139-V148 HydrophobicContact CD1-CG1 4.41Å; I139-V148 HydrophobicContact CG1-CG1 4.18Å; I139-V148 HydrophobicContact CG1-CG2 4.5Å; I139-V148 HydrophobicContact CG2-CG2 4.31Å; V148-Q151 HydrophobicContact CG1-CG 3.65Å; V148-V159 HydrophobicContact CG2-CG2 3.58Å; V148-I168 HydrophobicContact CG2-CG2 4.28Å; V148-Y169 PolarHBondContact N-O 3.5Å; V148-I170 HydrophobicContact CB-CG1 4.21Å; V148-I170 HydrophobicContact CB-CG2 4.42Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 WeakPolarHBondContact O-CA 3.31Å; V148-Y171 PolarHBondContact O-N 3.16Å; V148-I178 HydrophobicContact CG1-CD1 3.81Å; V148-I178 HydrophobicContact CG1-CG1 4.25Å
149D95.7Very high94.9Very high30 Ų3058.4 Ų58.416%0.1631%0.305CS..EExtended strand (participates in β ladder)trans-110.5135.4-167.2-72.4-3.2000110.8S137 S138 Q151 Y171S137-D149 WeakPolarHBondContact CA-O 3.22Å; S138-D149 PolarHBondContact N-O 3.43Å; S138-D149 PolarHBondContact O-N 2.77Å; D149-Q151 VanDerWaalsContact C-N 3.27Å; D149-Q151 PolarHBondContact O-N 2.68Å; D149-Q151 VanDerWaalsContact O-N 3.14Å; D149-Q151 PolarHBondContact O-NE2 2.93Å; D149-Y171 WeakPolarHBondContact CA-O 3.36Å; D149-Y171 WeakPolarHBondContact OD1-CB 3.34Å
150H95.8Very high95Very high29 Ų2960.9 Ų60.913%0.13432%0.315CS..  trans53.835.7167.3-5590.3000114.9H135 S137 V152 Y171 K172H135-H150 HydrophobicContact CB-CB 3.99Å; H135-H150 WeakPolarHBondContact CB-CD2 3.32Å; H135-H150 VanDerWaalsContact CB-CG 3.41Å; H135-H150 AromaticContact CD2-CD2 3.96Å; H135-H150 AromaticContact CD2-NE2 3.65Å; H135-H150 AromaticContact CG-CD2 3.8Å; H135-H150 AromaticContact CG-CE1 3.86Å; H135-H150 AromaticContact CG-NE2 3.54Å; S137-H150 WeakPolarHBondContact CB-O 3.41Å; H150-V152 PolarHBondContact O-N 3.01Å; H150-Y171 AromaticContact CE1-CD1 3.77Å; H150-Y171 AromaticContact CE1-CE1 3.77Å; H150-Y171 PolarHBondContact N-O 3.28Å; H150-Y171 AromaticContact NE2-CE1 3.95Å; H150-K172 WeakPolarHBondContact NE2-CD 3.36Å
151Q95Very high95.1Very high8 Ų857.3 Ų57.34%0.03730%0.301CS..  trans-68.2126.3171.8-57.9-62.2-44.600109.4S138 V148 D149 N154 C173 N174 S176S138-Q151 PolarHBondContact O-NE2 2.9Å; V148-Q151 HydrophobicContact CG1-CG 3.65Å; D149-Q151 VanDerWaalsContact C-N 3.27Å; D149-Q151 PolarHBondContact O-N 2.68Å; D149-Q151 VanDerWaalsContact O-N 3.14Å; D149-Q151 PolarHBondContact O-NE2 2.93Å; Q151-N154 HydrophobicContact CB-CB 4.36Å; Q151-N154 PolarHBondContact OE1-ND2 2.91Å; Q151-C173 HydrophobicContact CB-CB 4.17Å; Q151-C173 VanDerWaalsContact CB-SG 3.59Å; Q151-C173 CarbonylContact O-C 3.52Å; Q151-C173 VanDerWaalsContact O-CA 3.25Å; Q151-C173 WeakPolarHBondContact O-CA 3.34Å; Q151-N174 PolarHBondContact O-N 3.17Å; Q151-S176 VanDerWaalsContact C-OG 3.3Å; Q151-S176 PolarHBondContact O-OG 2.89Å; Q151-S176 VanDerWaalsContact O-OG 3.12Å
152V95.5Very high95Very high106 Ų10657.7 Ų57.764%0.64232%0.316SS*.BIsolated β-bridgetrans-127.2117.6178.9-1760000109.5H150 N154 N174H150-V152 PolarHBondContact O-N 3.01Å; V152-N154 PolarHBondContact O-N 3.33Å; V152-N174 CarbonylContact C-O 3.54Å; V152-N174 VanDerWaalsContact CA-O 3.29Å; V152-N174 WeakPolarHBondContact CA-O 3.42Å; V152-N174 HydrophobicContact CG2-CB 4.45Å
153G94.4Very high95.2Very high40 Ų4057.5 Ų57.541%0.41232%0.316SS..SBendtrans70.35.5-179.600000114.7K155 N174 D175 S176G153-K155 PolarHBondContact O-N 3.18Å; G153-N174 PolarHBondContact N-O 2.89Å; G153-D175 CarbonylContact C-O 3.52Å; G153-D175 WeakPolarHBondContact CA-O 3.24Å; G153-D175 PolarHBondContact N-O 2.87Å; G153-S176 PolarHBondContact N-OG 2.85Å
154N93.3Very high95.4Very high51 Ų5161.7 Ų61.727%0.27332%0.322SS..  trans-84.2108.8-175-174.4-3.2000110.7Q151 V152 N156 A157 S176 I177Q151-N154 HydrophobicContact CB-CB 4.36Å; Q151-N154 PolarHBondContact OE1-ND2 2.91Å; V152-N154 PolarHBondContact O-N 3.33Å; N154-N156 PolarHBondContact OD1-N 3.39Å; N154-A157 PolarHBondContact OD1-N 3.08Å; N154-S176 PolarHBondContact N-OG 3.09Å; N154-S176 CarbonylContact O-C 3.56Å; N154-S176 WeakPolarHBondContact O-CA 3.45Å; N154-S176 VanDerWaalsContact O-CB 3.25Å; N154-S176 WeakPolarHBondContact O-CB 3.22Å; N154-I177 PolarHBondContact O-N 3.3Å
155K94.5Very high95.6Very high76 Ų7662 Ų6233%0.3332%0.323SS..SBendtrans-92.9-0.6179.9-54.2-59.3-176.8-176.20114.1G153 D175 I177G153-K155 PolarHBondContact O-N 3.18Å; K155-D175 WeakPolarHBondContact CE-O 3.5Å; K155-D175 PolarHBondContact NZ-O 2.89Å; K155-D175 IonicContact NZ-OD1 2.63Å; K155-D175 PolarHBondContact NZ-OD1 2.96Å; K155-D175 IonicContact NZ-OD2 4Å; K155-I177 HydrophobicContact CB-CD1 4.23Å; K155-I177 HydrophobicContact CD-CB 4.37Å; K155-I177 HydrophobicContact CD-CD1 3.74Å; K155-I177 HydrophobicContact CD-CG1 3.67Å; K155-I177 HydrophobicContact CG-CD1 4.46Å
156N93.7Very high95.6Very high127 Ų12760.1 Ų60.168%0.67931%0.313SS*.  trans-123.819-172.9-62.9-47.3000112.5N154 V158N154-N156 PolarHBondContact OD1-N 3.39Å; N156-V158 PolarHBondContact O-N 3.12Å
157A95Very high95.6Very high2 Ų258.5 Ų58.52%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-66.7124.5176.200000109.4I139 N154 I177 I178 K179I139-A157 HydrophobicContact CD1-CB 4.01Å; N154-A157 PolarHBondContact OD1-N 3.08Å; A157-I177 PolarHBondContact N-O 2.96Å; A157-I178 HydrophobicContact CB-CG1 4.07Å; A157-I178 WeakPolarHBondContact O-CA 3.48Å; A157-K179 PolarHBondContact O-N 3.35Å
158V96.8Very high95.7Very high58 Ų5855.8 Ų55.835%0.35230%0.298SS..EExtended strand (participates in β ladder)trans-126.4134.2178.9-176.40000109.2N156 E160 K179 K181N156-V158 PolarHBondContact O-N 3.12Å; V158-E160 HydrophobicContact CG1-CG 4.06Å; V158-K179 CarbonylContact C-O 3.52Å; V158-K179 VanDerWaalsContact CA-O 3.29Å; V158-K179 WeakPolarHBondContact CA-O 3.37Å; V158-K179 HydrophobicContact CG2-CB 4.37Å; V158-K181 HydrophobicContact CG1-CD 4.29Å; V158-K181 HydrophobicContact CG1-CG 4.34Å
159V96.9Very high95.7Very high1 Ų159.3 Ų59.31%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-118.7128169.7179.10000107.6I139 W146 V148 V161 K179 I180 K181I139-V159 HydrophobicContact CG2-CG2 4.11Å; W146-V159 HydrophobicContact CB-CG1 3.89Å; W146-V159 HydrophobicContact CD2-CG1 3.53Å; W146-V159 HydrophobicContact CE3-CG1 3.86Å; W146-V159 HydrophobicContact CG-CG1 3.54Å; V148-V159 HydrophobicContact CG2-CG2 3.58Å; V159-V161 HydrophobicContact CG1-CG2 4.2Å; V159-K179 PolarHBondContact N-O 2.96Å; V159-I180 HydrophobicContact CB-CG1 4.35Å; V159-I180 WeakPolarHBondContact O-CA 3.33Å; V159-K181 PolarHBondContact O-N 2.8Å
160E96.7Very high95.8Very high113 Ų11357.9 Ų57.953%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-107.8109.4178.2-58.6-164.5156.500109.1W146 V158 K181W146-E160 WeakPolarHBondContact CZ2-O 3.15Å; V158-E160 HydrophobicContact CG1-CG 4.06Å; E160-K181 HydrophobicContact CG-CB 4.5Å; E160-K181 HydrophobicContact CG-CD 4.3Å; E160-K181 IonicContact OE1-NZ 2.68Å; E160-K181 PolarHBondContact OE1-NZ 3.2Å
161V95.8Very high96Very high14 Ų1459.9 Ų59.99%0.08531%0.311CS..  trans-92.4128.5-177.4178.30000108.8V159 D163 E166 I168 I180 K181 K183 A184V159-V161 HydrophobicContact CG1-CG2 4.2Å; V161-D163 WeakPolarHBondContact CG1-O 3.49Å; V161-E166 HydrophobicContact CG1-CB 4.08Å; V161-E166 WeakPolarHBondContact CG1-OE2 3.22Å; V161-I168 HydrophobicContact CG2-CD1 3.99Å; V161-I168 HydrophobicContact CG2-CG1 4.35Å; V161-I180 HydrophobicContact CG2-CG2 3.72Å; V161-K181 WeakPolarHBondContact CB-O 3.22Å; V161-K181 PolarHBondContact N-O 3.34Å; V161-K183 WeakPolarHBondContact CG1-O 3.24Å; V161-A184 HydrophobicContact CG1-CB 4.03Å; V161-A184 HydrophobicContact CG2-CB 4.26Å
162T94.1Very high96.1Very high130 Ų13064 Ų6480%0.79833%0.329SS*.  trans-107.4-26.9-17662.30000113.2E166T162-E166 PolarHBondContact N-OE2 2.95Å; T162-E166 VanDerWaalsContact N-OE2 3.15Å
163D94.3Very high96.2Very high67 Ų6759 Ų5936%0.35830%0.299SS..SBendtrans-123.2130.6176.3-174.1-19.3000110.1V161 K165 E166V161-D163 WeakPolarHBondContact CG1-O 3.49Å; D163-K165 PolarHBondContact O-N 2.86Å; D163-K165 WeakPolarHBondContact OD1-CB 3.11Å; D163-K165 WeakPolarHBondContact OD1-CG 3.3Å; D163-K165 PolarHBondContact OD1-N 2.98Å; D163-E166 HydrophobicContact CB-CG 4.14Å; D163-E166 VanDerWaalsContact O-CB 3.3Å; D163-E166 WeakPolarHBondContact O-CB 3.35Å; D163-E166 WeakPolarHBondContact O-CG 3.34Å; D163-E166 PolarHBondContact O-N 2.79Å
164K94.3Very high96.3Very high131 Ų13160.2 Ų60.257%0.5730%0.296SS*.THydrogen-bonded Turntrans-61.1-7.4175.769.5-179.1178.8-176.90114.9K183 A184 N185 V203K164-K183 VanDerWaalsContact CA-O 3.28Å; K164-K183 WeakPolarHBondContact CA-O 3.28Å; K164-A184 CarbonylContact O-C 3.6Å; K164-N185 VanDerWaalsContact O-CA 3.27Å; K164-N185 WeakPolarHBondContact O-CA 3.18Å; K164-N185 VanDerWaalsContact O-CB 3.25Å; K164-N185 WeakPolarHBondContact O-CB 3.1Å; K164-N185 PolarHBondContact O-N 3.24Å; K164-N185 VanDerWaalsContact O-N 3.07Å; K164-V203 HydrophobicContact CB-CG2 3.99Å; K164-V203 HydrophobicContact CD-CG2 4.41Å; K164-V203 HydrophobicContact CG-CG2 4.47Å
165K95.9Very high96.5Very high149 Ų14961.3 Ų61.365%0.64830%0.302SS*.THydrogen-bonded Turntrans-83.7-18.3171.3-66.1173.6-1741660113.1D163D163-K165 PolarHBondContact O-N 2.86Å; D163-K165 WeakPolarHBondContact OD1-CB 3.11Å; D163-K165 WeakPolarHBondContact OD1-CG 3.3Å; D163-K165 PolarHBondContact OD1-N 2.98Å
166E97.2Very high96.7Very high16 Ų1657.7 Ų57.78%0.07529%0.286CS..  trans-69.1144.9179.5-60.9-178.2141.900110.3W141 K144 W146 V161 T162 D163 N185W141-E166 PolarHBondContact NE1-OE1 2.95Å; K144-E166 WeakPolarHBondContact O-CA 3.18Å; W146-E166 PolarHBondContact NE1-OE2 3.04Å; V161-E166 HydrophobicContact CG1-CB 4.08Å; V161-E166 WeakPolarHBondContact CG1-OE2 3.22Å; T162-E166 PolarHBondContact N-OE2 2.95Å; T162-E166 VanDerWaalsContact N-OE2 3.15Å; D163-E166 HydrophobicContact CB-CG 4.14Å; D163-E166 VanDerWaalsContact O-CB 3.3Å; D163-E166 WeakPolarHBondContact O-CB 3.35Å; D163-E166 WeakPolarHBondContact O-CG 3.34Å; D163-E166 PolarHBondContact O-N 2.79Å; E166-N185 WeakPolarHBondContact O-CB 3.16Å; E166-N185 PolarHBondContact O-N 3.12Å
167S98Very high96.9Very high21 Ų2154 Ų5415%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-118.5160175.3-54.70000110.1K144 I145 W146 A186K144-S167 PolarHBondContact O-N 3.07Å; K144-S167 VanDerWaalsContact O-N 3.13Å; I145-S167 CarbonylContact C-O 3.49Å; I145-S167 VanDerWaalsContact CA-O 3.23Å; I145-S167 WeakPolarHBondContact CA-O 3.23Å; W146-S167 PolarHBondContact N-O 3.08Å; S167-A186 CarbonylContact C-O 3.54Å; S167-A186 VanDerWaalsContact CA-O 3.31Å; S167-A186 WeakPolarHBondContact CA-O 3.35Å
168I98.6Very high97.1Very high2 Ų253.9 Ų53.91%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-120.5131.2179.6-54.790.5000108.6W146 V148 V161 I170 I180 A184 A186 I187 T188W146-I168 HydrophobicContact CB-CB 4.45Å; W146-I168 HydrophobicContact CB-CG1 4.07Å; W146-I168 HydrophobicContact CB-CG2 4.26Å; W146-I168 CarbonylContact O-C 3.58Å; W146-I168 WeakPolarHBondContact O-CA 3.49Å; V148-I168 HydrophobicContact CG2-CG2 4.28Å; V161-I168 HydrophobicContact CG2-CD1 3.99Å; V161-I168 HydrophobicContact CG2-CG1 4.35Å; I168-I170 HydrophobicContact CG2-CD1 4.35Å; I168-I170 HydrophobicContact CG2-CG1 3.85Å; I168-I180 HydrophobicContact CB-CD1 4.32Å; I168-I180 HydrophobicContact CD1-CD1 4.37Å; I168-I180 HydrophobicContact CD1-CG2 3.97Å; I168-I180 HydrophobicContact CG1-CD1 4.22Å; I168-I180 HydrophobicContact CG1-CG2 4.34Å; I168-I180 HydrophobicContact CG2-CD1 4.12Å; I168-A184 HydrophobicContact CD1-CB 3.24Å; I168-A186 PolarHBondContact N-O 2.92Å; I168-I187 HydrophobicContact CB-CG1 4.15Å; I168-I187 HydrophobicContact CD1-CG1 3.84Å; I168-I187 CarbonylContact O-C 3.52Å; I168-I187 WeakPolarHBondContact O-CA 3.18Å; I168-T188 PolarHBondContact O-N 3.42Å
169Y98.5Very high97.1Very high75 Ų7555.7 Ų55.729%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-118.5115.5174.4-169.5-100.5000108.9W146 K147 V148 Y171 T188 D190W146-Y169 PolarHBondContact O-N 3.47Å; K147-Y169 WeakPolarHBondContact CA-O 3.32Å; V148-Y169 PolarHBondContact N-O 3.5Å; Y169-Y171 HydrophobicContact CE1-CD2 4.18Å; Y169-Y171 HydrophobicContact CE1-CG 4.13Å; Y169-T188 HydrophobicContact CD2-CG2 3.85Å; Y169-T188 HydrophobicContact CE2-CG2 3.69Å; Y169-D190 HydrophobicContact CE2-CB 4.33Å; Y169-D190 WeakPolarHBondContact OH-CB 3.47Å; Y169-D190 PolarHBondContact OH-OD2 3.03Å
170I98.5Very high97.2Very high0 Ų055.8 Ų55.80%027%0.268CS..EExtended strand (participates in β ladder)trans-109.3113.7-176.7-55.3175000107.6V148 I168 C173 I178 I180 I187 T188 L189 D190 V197V148-I170 HydrophobicContact CB-CG1 4.21Å; V148-I170 HydrophobicContact CB-CG2 4.42Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 WeakPolarHBondContact O-CA 3.31Å; I168-I170 HydrophobicContact CG2-CD1 4.35Å; I168-I170 HydrophobicContact CG2-CG1 3.85Å; I170-C173 HydrophobicContact CG2-CB 4.17Å; I170-I178 HydrophobicContact CB-CD1 4.41Å; I170-I178 HydrophobicContact CD1-CD1 3.94Å; I170-I178 HydrophobicContact CD1-CG2 4.21Å; I170-I178 HydrophobicContact CG1-CD1 4.29Å; I170-I178 HydrophobicContact CG2-CD1 3.3Å; I170-I180 HydrophobicContact CD1-CD1 4.38Å; I170-I187 HydrophobicContact CD1-CG2 4.06Å; I170-T188 PolarHBondContact N-O 3.4Å; I170-L189 HydrophobicContact CB-CG 4.34Å; I170-L189 HydrophobicContact CD1-CG 4.23Å; I170-L189 WeakPolarHBondContact O-CA 3.35Å; I170-D190 PolarHBondContact O-N 2.76Å; I170-V197 HydrophobicContact CD1-CG1 4Å; I170-V197 HydrophobicContact CD1-CG2 3.74Å
171Y98.1Very high97.3Very high71 Ų7155.2 Ų55.228%0.27826%0.264SS..EExtended strand (participates in β ladder)trans-123130.2-170.8-177.2-118.3000112.2V148 D149 H150 Y169 C173 D190V148-Y171 PolarHBondContact O-N 3.16Å; D149-Y171 WeakPolarHBondContact CA-O 3.36Å; D149-Y171 WeakPolarHBondContact OD1-CB 3.34Å; H150-Y171 AromaticContact CE1-CD1 3.77Å; H150-Y171 AromaticContact CE1-CE1 3.77Å; H150-Y171 PolarHBondContact N-O 3.28Å; H150-Y171 AromaticContact NE2-CE1 3.95Å; Y169-Y171 HydrophobicContact CE1-CD2 4.18Å; Y169-Y171 HydrophobicContact CE1-CG 4.13Å; Y171-C173 PolarHBondContact O-N 3.17Å; Y171-C173 VanDerWaalsContact O-N 3.08Å; Y171-D190 WeakPolarHBondContact CA-O 3.3Å; Y171-D190 HydrophobicContact CD2-CB 4.12Å
172K97.6Very high97.3Very high94 Ų9455.6 Ų55.641%0.40927%0.271SS..SBendtrans50.236.2173.6-75.7-171.7172-177.10114.8H150 D190H150-K172 WeakPolarHBondContact NE2-CD 3.36Å; K172-D190 PolarHBondContact N-O 2.82Å
173C97.5Very high97.5Very high1 Ų153.5 Ų53.51%0.00725%0.251CS..  trans-78.4140172.4-65.50000110.4Q151 I170 Y171 I178 C192 R193 T195Q151-C173 HydrophobicContact CB-CB 4.17Å; Q151-C173 VanDerWaalsContact CB-SG 3.59Å; Q151-C173 CarbonylContact O-C 3.52Å; Q151-C173 VanDerWaalsContact O-CA 3.25Å; Q151-C173 WeakPolarHBondContact O-CA 3.34Å; I170-C173 HydrophobicContact CG2-CB 4.17Å; Y171-C173 PolarHBondContact O-N 3.17Å; Y171-C173 VanDerWaalsContact O-N 3.08Å; C173-I178 HydrophobicContact CB-CD1 4.32Å; C173-C192 HydrophobicContact CB-CB 4.5Å; C173-C192 PolarHBondContact N-SG 3.07Å; C173-C192 VanDerWaalsContact N-SG 3.44Å; C173-C192 CarbonylContact O-C 3.56Å; C173-C192 WeakPolarHBondContact O-CA 3.33Å; C173-R193 PolarHBondContact O-N 2.78Å; C173-T195 HydrophobicContact CB-CG2 4.09Å; C173-T195 PolarHBondContact O-OG1 2.97Å
174N97.8Very high97.6Very high65 Ų6550.3 Ų50.335%0.34823%0.234SC..BIsolated β-bridgetrans-130.9131.4180-168.1-8.8000110Q151 V152 G153 S176 R193Q151-N174 PolarHBondContact O-N 3.17Å; V152-N174 CarbonylContact C-O 3.54Å; V152-N174 VanDerWaalsContact CA-O 3.29Å; V152-N174 WeakPolarHBondContact CA-O 3.42Å; V152-N174 HydrophobicContact CG2-CB 4.45Å; G153-N174 PolarHBondContact N-O 2.89Å; N174-S176 PolarHBondContact O-N 3.31Å; N174-S176 VanDerWaalsContact O-N 3.16Å; N174-S176 PolarHBondContact O-OG 2.86Å; N174-R193 CarbonylContact C-O 3.49Å; N174-R193 VanDerWaalsContact CA-O 3.25Å; N174-R193 WeakPolarHBondContact CA-O 3.49Å
175D97.7Very high97.8Very high74 Ų7446.6 Ų46.640%0.39622%0.22SC..SBendtrans50.143.7176.5-168.530.3000112.8G153 K155 R193 K194G153-D175 CarbonylContact C-O 3.52Å; G153-D175 WeakPolarHBondContact CA-O 3.24Å; G153-D175 PolarHBondContact N-O 2.87Å; K155-D175 WeakPolarHBondContact CE-O 3.5Å; K155-D175 PolarHBondContact NZ-O 2.89Å; K155-D175 IonicContact NZ-OD1 2.63Å; K155-D175 PolarHBondContact NZ-OD1 2.96Å; K155-D175 IonicContact NZ-OD2 4Å; D175-R193 PolarHBondContact N-O 2.84Å; D175-K194 VanDerWaalsContact CA-O 3.24Å; D175-K194 WeakPolarHBondContact CA-O 3.36Å; D175-K194 PolarHBondContact N-O 3.23Å
176S97.7Very high97.9Very high0 Ų040.1 Ų40.10%019%0.194CC..  trans-123.6156.8-172.5-65.40000112.1Q151 G153 N154 N174 T195 S196Q151-S176 VanDerWaalsContact C-OG 3.3Å; Q151-S176 PolarHBondContact O-OG 2.89Å; Q151-S176 VanDerWaalsContact O-OG 3.12Å; G153-S176 PolarHBondContact N-OG 2.85Å; N154-S176 PolarHBondContact N-OG 3.09Å; N154-S176 CarbonylContact O-C 3.56Å; N154-S176 WeakPolarHBondContact O-CA 3.45Å; N154-S176 VanDerWaalsContact O-CB 3.25Å; N154-S176 WeakPolarHBondContact O-CB 3.22Å; N174-S176 PolarHBondContact O-N 3.31Å; N174-S176 VanDerWaalsContact O-N 3.16Å; N174-S176 PolarHBondContact O-OG 2.86Å; S176-T195 CarbonylContact O-C 3.56Å; S176-T195 VanDerWaalsContact O-CA 3.28Å; S176-T195 WeakPolarHBondContact O-CA 3.35Å; S176-S196 PolarHBondContact O-N 3.46Å
177I98.1Very high98Very high49 Ų4939.4 Ų39.425%0.25119%0.191SC..EExtended strand (participates in β ladder)trans-120.2122.7171.6-60.4172.9000107.7N154 K155 A157 K179 S196N154-I177 PolarHBondContact O-N 3.3Å; K155-I177 HydrophobicContact CB-CD1 4.23Å; K155-I177 HydrophobicContact CD-CB 4.37Å; K155-I177 HydrophobicContact CD-CD1 3.74Å; K155-I177 HydrophobicContact CD-CG1 3.67Å; K155-I177 HydrophobicContact CG-CD1 4.46Å; A157-I177 PolarHBondContact N-O 2.96Å; I177-K179 HydrophobicContact CG2-CG 4.39Å; I177-S196 WeakPolarHBondContact CA-O 3.48Å
178I98.2Very high98Very high0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-115.9120-177.6-58162.3000108.1V148 A157 I170 C173 I180 T195 S196 V197 V198V148-I178 HydrophobicContact CG1-CD1 3.81Å; V148-I178 HydrophobicContact CG1-CG1 4.25Å; A157-I178 HydrophobicContact CB-CG1 4.07Å; A157-I178 WeakPolarHBondContact O-CA 3.48Å; I170-I178 HydrophobicContact CB-CD1 4.41Å; I170-I178 HydrophobicContact CD1-CD1 3.94Å; I170-I178 HydrophobicContact CD1-CG2 4.21Å; I170-I178 HydrophobicContact CG1-CD1 4.29Å; I170-I178 HydrophobicContact CG2-CD1 3.3Å; C173-I178 HydrophobicContact CB-CD1 4.32Å; I178-I180 HydrophobicContact CG2-CG1 4.24Å; I178-T195 HydrophobicContact CD1-CG2 3.93Å; I178-S196 PolarHBondContact N-O 3Å; I178-V197 HydrophobicContact CB-CG2 4.31Å; I178-V197 HydrophobicContact CD1-CG2 4.46Å; I178-V197 WeakPolarHBondContact O-CA 3.38Å; I178-V198 PolarHBondContact O-N 3.39Å
179K98.4Very high98Very high97 Ų9739.6 Ų39.642%0.42219%0.191SC..EExtended strand (participates in β ladder)trans-106.1120.1178.7-60.4177.7-176.1175.80109A157 V158 V159 I177 V198A157-K179 PolarHBondContact O-N 3.35Å; V158-K179 CarbonylContact C-O 3.52Å; V158-K179 VanDerWaalsContact CA-O 3.29Å; V158-K179 WeakPolarHBondContact CA-O 3.37Å; V158-K179 HydrophobicContact CG2-CB 4.37Å; V159-K179 PolarHBondContact N-O 2.96Å; I177-K179 HydrophobicContact CG2-CG 4.39Å; K179-V198 CarbonylContact C-O 3.58Å; K179-V198 WeakPolarHBondContact CA-O 3.45Å
180I98.2Very high98Very high3 Ų337.7 Ų37.72%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-108.1109179.4-59.7164.3000107.4V159 V161 I168 I170 I178 I187 V197 V198 F199 D200V159-I180 HydrophobicContact CB-CG1 4.35Å; V159-I180 WeakPolarHBondContact O-CA 3.33Å; V161-I180 HydrophobicContact CG2-CG2 3.72Å; I168-I180 HydrophobicContact CB-CD1 4.32Å; I168-I180 HydrophobicContact CD1-CD1 4.37Å; I168-I180 HydrophobicContact CD1-CG2 3.97Å; I168-I180 HydrophobicContact CG1-CD1 4.22Å; I168-I180 HydrophobicContact CG1-CG2 4.34Å; I168-I180 HydrophobicContact CG2-CD1 4.12Å; I170-I180 HydrophobicContact CD1-CD1 4.38Å; I178-I180 HydrophobicContact CG2-CG1 4.24Å; I180-I187 HydrophobicContact CD1-CD1 3.4Å; I180-I187 HydrophobicContact CD1-CG1 3.85Å; I180-I187 HydrophobicContact CD1-CG2 4.46Å; I180-V197 HydrophobicContact CD1-CG1 3.79Å; I180-V198 PolarHBondContact N-O 3.49Å; I180-F199 HydrophobicContact CB-CB 3.85Å; I180-F199 HydrophobicContact CD1-CB 4.39Å; I180-F199 HydrophobicContact CG2-CB 4.4Å; I180-F199 WeakPolarHBondContact O-CA 3.21Å; I180-D200 PolarHBondContact O-N 2.87Å
181K97.9Very high98Very high100 Ų10038.4 Ų38.444%0.43519%0.194SC..EExtended strand (participates in β ladder)trans-91.5142.2175.9-60.7-176.4-167.91620109.7V158 V159 E160 V161V158-K181 HydrophobicContact CG1-CD 4.29Å; V158-K181 HydrophobicContact CG1-CG 4.34Å; V159-K181 PolarHBondContact O-N 2.8Å; E160-K181 HydrophobicContact CG-CB 4.5Å; E160-K181 HydrophobicContact CG-CD 4.3Å; E160-K181 IonicContact OE1-NZ 2.68Å; E160-K181 PolarHBondContact OE1-NZ 3.2Å; V161-K181 WeakPolarHBondContact CB-O 3.22Å; V161-K181 PolarHBondContact N-O 3.34Å
182G96.9Very high98Very high22 Ų2235 Ų3523%0.22718%0.181CC..EExtended strand (participates in β ladder)trans87.6160.1-175.400000112.7D200G182-D200 PolarHBondContact N-OD2 2.99Å
183K97.4Very high98.1Very high86 Ų8636.5 Ų36.537%0.37418%0.184SC..EExtended strand (participates in β ladder)trans-81.5126.4178.6-170.2170.9-168.5167.10109.6V161 K164 G201 V203 E221V161-K183 WeakPolarHBondContact CG1-O 3.24Å; K164-K183 VanDerWaalsContact CA-O 3.28Å; K164-K183 WeakPolarHBondContact CA-O 3.28Å; K183-G201 WeakPolarHBondContact CA-O 3.28Å; K183-V203 HydrophobicContact CD-CG2 4.36Å; K183-V203 HydrophobicContact CG-CG2 4.35Å; K183-E221 IonicContact NZ-OE2 2.89Å; K183-E221 PolarHBondContact NZ-OE2 2.85Å
184A98Very high98.1Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-110.2170.6177.500000112V161 K164 I168 G201 L202 V203V161-A184 HydrophobicContact CG1-CB 4.03Å; V161-A184 HydrophobicContact CG2-CB 4.26Å; K164-A184 CarbonylContact O-C 3.6Å; I168-A184 HydrophobicContact CD1-CB 3.24Å; A184-G201 PolarHBondContact N-O 3.49Å; A184-G201 VanDerWaalsContact N-O 3.15Å; A184-L202 HydrophobicContact CB-CD2 3.79Å; A184-L202 CarbonylContact O-C 3.56Å; A184-L202 VanDerWaalsContact O-CA 3.31Å; A184-L202 WeakPolarHBondContact O-CA 3.27Å; A184-V203 PolarHBondContact O-N 2.89Å
185N98.1Very high98.1Very high54 Ų5439.6 Ų39.629%0.28919%0.194SC..EExtended strand (participates in β ladder)trans-74.6-55.6174.2-175.756.1000110.9K164 E166 V203 A204K164-N185 VanDerWaalsContact O-CA 3.27Å; K164-N185 WeakPolarHBondContact O-CA 3.18Å; K164-N185 VanDerWaalsContact O-CB 3.25Å; K164-N185 WeakPolarHBondContact O-CB 3.1Å; K164-N185 PolarHBondContact O-N 3.24Å; K164-N185 VanDerWaalsContact O-N 3.07Å; E166-N185 WeakPolarHBondContact O-CB 3.16Å; E166-N185 PolarHBondContact O-N 3.12Å; N185-V203 PolarHBondContact O-N 3.15Å; N185-A204 WeakPolarHBondContact O-CB 3.33Å; N185-A204 PolarHBondContact O-N 3.3Å
186A98.3Very high98.2Very high13 Ų1337.2 Ų37.211%0.10718%0.183CC..EExtended strand (participates in β ladder)trans-152.2154.3-175.900000111.5S167 I168 Q205S167-A186 CarbonylContact C-O 3.54Å; S167-A186 VanDerWaalsContact CA-O 3.31Å; S167-A186 WeakPolarHBondContact CA-O 3.35Å; I168-A186 PolarHBondContact N-O 2.92Å; A186-Q205 VanDerWaalsContact CA-O 3.24Å; A186-Q205 WeakPolarHBondContact CA-O 3.43Å; A186-Q205 HydrophobicContact CB-CG 4.36Å; A186-Q205 WeakPolarHBondContact CB-O 3.31Å
187I98.7Very high98.2Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-122.3134.9171.4-65.2164.7000108.1I168 I170 I180 L189 F199 L202 Q205 C206 E207I168-I187 HydrophobicContact CB-CG1 4.15Å; I168-I187 HydrophobicContact CD1-CG1 3.84Å; I168-I187 CarbonylContact O-C 3.52Å; I168-I187 WeakPolarHBondContact O-CA 3.18Å; I170-I187 HydrophobicContact CD1-CG2 4.06Å; I180-I187 HydrophobicContact CD1-CD1 3.4Å; I180-I187 HydrophobicContact CD1-CG1 3.85Å; I180-I187 HydrophobicContact CD1-CG2 4.46Å; I187-L189 HydrophobicContact CG2-CD1 3.75Å; I187-F199 HydrophobicContact CD1-CB 3.79Å; I187-F199 HydrophobicContact CD1-CD1 3.45Å; I187-F199 VanDerWaalsContact CD1-CD1 3.45Å; I187-F199 HydrophobicContact CD1-CD2 4.13Å; I187-F199 HydrophobicContact CD1-CE1 3.95Å; I187-F199 HydrophobicContact CD1-CG 3.53Å; I187-L202 HydrophobicContact CB-CD1 4.21Å; I187-L202 HydrophobicContact CD1-CD1 3.99Å; I187-L202 HydrophobicContact CD1-CD2 3.72Å; I187-L202 HydrophobicContact CD1-CG 4.27Å; I187-L202 HydrophobicContact CG1-CD1 4.09Å; I187-L202 HydrophobicContact CG1-CD2 3.75Å; I187-Q205 PolarHBondContact N-O 2.91Å; I187-Q205 VanDerWaalsContact N-O 3.13Å; I187-C206 CarbonylContact O-C 3.52Å; I187-C206 WeakPolarHBondContact O-CA 3.29Å; I187-E207 PolarHBondContact O-N 2.98Å
188T98.7Very high98.2Very high27 Ų2736.7 Ų36.717%0.16618%0.182CC..EExtended strand (participates in β ladder)trans-124.1126.4170.8-57.60000109.4I168 Y169 I170 E207 I209I168-T188 PolarHBondContact O-N 3.42Å; Y169-T188 HydrophobicContact CD2-CG2 3.85Å; Y169-T188 HydrophobicContact CE2-CG2 3.69Å; I170-T188 PolarHBondContact N-O 3.4Å; T188-E207 CarbonylContact C-O 3.56Å; T188-E207 WeakPolarHBondContact CA-O 3.16Å; T188-E207 HydrophobicContact CG2-CB 4.38Å; T188-I209 HydrophobicContact CG2-CD1 4.15Å
189L98.6Very high98.2Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-105.2126170.3-62.787.4000108.6I170 I187 V197 E207 I208 I209 I214 I216I170-L189 HydrophobicContact CB-CG 4.34Å; I170-L189 HydrophobicContact CD1-CG 4.23Å; I170-L189 WeakPolarHBondContact O-CA 3.35Å; I187-L189 HydrophobicContact CG2-CD1 3.75Å; L189-V197 HydrophobicContact CD2-CG2 3.58Å; L189-V197 HydrophobicContact CG-CG2 4.34Å; L189-E207 PolarHBondContact N-O 2.83Å; L189-I208 HydrophobicContact CD1-CG1 4.04Å; L189-I209 PolarHBondContact O-N 2.79Å; L189-I214 HydrophobicContact CD2-CG2 3.95Å; L189-I216 HydrophobicContact CD1-CD1 3.85Å; L189-I216 HydrophobicContact CD2-CD1 3.83Å
190D98.4Very high98.2Very high35 Ų3535.4 Ų35.419%0.18718%0.18CC..EExtended strand (participates in β ladder)trans-132.2124.7178.4-1740.5000111.3Y169 I170 Y171 K172 C192 I209Y169-D190 HydrophobicContact CE2-CB 4.33Å; Y169-D190 WeakPolarHBondContact OH-CB 3.47Å; Y169-D190 PolarHBondContact OH-OD2 3.03Å; I170-D190 PolarHBondContact O-N 2.76Å; Y171-D190 WeakPolarHBondContact CA-O 3.3Å; Y171-D190 HydrophobicContact CD2-CB 4.12Å; K172-D190 PolarHBondContact N-O 2.82Å; D190-C192 PolarHBondContact O-N 3.08Å; D190-I209 WeakPolarHBondContact CA-O 3.33Å
191G98.1Very high98.2Very high16 Ų1635.4 Ų35.417%0.16518%0.18CC..SBendtrans6918.7174.200000114.3I209 N210G191-I209 PolarHBondContact N-O 2.87Å; G191-I209 VanDerWaalsContact N-O 3.12Å; G191-N210 VanDerWaalsContact CA-O 3.29Å; G191-N210 WeakPolarHBondContact CA-O 3.25Å
192C98.4Very high98.2Very high0 Ų030.7 Ų30.70%016%0.16CC..  trans-83.7149.8-178.2-63.20000111.7C173 D190 C211 Q212 I214C173-C192 HydrophobicContact CB-CB 4.5Å; C173-C192 PolarHBondContact N-SG 3.07Å; C173-C192 VanDerWaalsContact N-SG 3.44Å; C173-C192 CarbonylContact O-C 3.56Å; C173-C192 WeakPolarHBondContact O-CA 3.33Å; D190-C192 PolarHBondContact O-N 3.08Å; C192-C211 PolarHBondContact N-SG 2.91Å; C192-C211 CarbonylContact O-C 3.57Å; C192-C211 WeakPolarHBondContact O-CA 3.42Å; C192-C211 WeakPolarHBondContact O-CB 3.42Å; C192-Q212 PolarHBondContact O-N 3.44Å; C192-I214 HydrophobicContact CB-CD1 3.88Å
193R98.3Very high98.2Very high124 Ų12432.8 Ų32.847%0.46817%0.168SC..BIsolated β-bridgetrans-132.8139.1176.6-60-172.3-172.4-98-5.1111C173 N174 D175 T195 Q212C173-R193 PolarHBondContact O-N 2.78Å; N174-R193 CarbonylContact C-O 3.49Å; N174-R193 VanDerWaalsContact CA-O 3.25Å; N174-R193 WeakPolarHBondContact CA-O 3.49Å; D175-R193 PolarHBondContact N-O 2.84Å; R193-T195 PolarHBondContact O-N 2.95Å; R193-T195 PolarHBondContact O-OG1 2.78Å; R193-Q212 CarbonylContact C-O 3.54Å; R193-Q212 VanDerWaalsContact CA-O 3.23Å; R193-Q212 WeakPolarHBondContact CA-O 3.25Å; R193-Q212 HydrophobicContact CG-CB 4.2Å
194K98.1Very high98.3Very high132 Ų13230.4 Ų30.457%0.57417%0.165SC*.SBendtrans48.735.9177.6-61.2-174.9178.3-1740113D175 Q212 S213D175-K194 VanDerWaalsContact CA-O 3.24Å; D175-K194 WeakPolarHBondContact CA-O 3.36Å; D175-K194 PolarHBondContact N-O 3.23Å; K194-Q212 PolarHBondContact N-O 2.89Å; K194-S213 WeakPolarHBondContact CA-O 3.18Å; K194-S213 PolarHBondContact N-O 3.14Å
195T98.4Very high98.3Very high0 Ų034 Ų340%018%0.182CC..  trans-110.5131-172.7-65.20000109.3C173 S176 I178 R193 V197 I214 Q215C173-T195 HydrophobicContact CB-CG2 4.09Å; C173-T195 PolarHBondContact O-OG1 2.97Å; S176-T195 CarbonylContact O-C 3.56Å; S176-T195 VanDerWaalsContact O-CA 3.28Å; S176-T195 WeakPolarHBondContact O-CA 3.35Å; I178-T195 HydrophobicContact CD1-CG2 3.93Å; R193-T195 PolarHBondContact O-N 2.95Å; R193-T195 PolarHBondContact O-OG1 2.78Å; T195-V197 HydrophobicContact CG2-CG2 4.3Å; T195-I214 WeakPolarHBondContact O-CA 3.29Å; T195-Q215 PolarHBondContact O-N 3.04Å; T195-Q215 VanDerWaalsContact O-N 3.15Å
196S98.5Very high98.3Very high24 Ų2431.5 Ų31.517%0.16817%0.168CC..EExtended strand (participates in β ladder)trans-106.9133.3176.5-47.60000109.8S176 I177 I178 Q215S176-S196 PolarHBondContact O-N 3.46Å; I177-S196 WeakPolarHBondContact CA-O 3.48Å; I178-S196 PolarHBondContact N-O 3Å; S196-Q215 CarbonylContact C-O 3.49Å; S196-Q215 WeakPolarHBondContact CA-O 3.45Å; S196-Q215 PolarHBondContact OG-OE1 3.46Å; S196-Q215 VanDerWaalsContact OG-OE1 3.13Å
197V98.6Very high98.3Very high1 Ų132.7 Ų32.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-122.9125.4177.8-174.80000109.5I170 I178 I180 L189 T195 F199 Q215 I216 Q217I170-V197 HydrophobicContact CD1-CG1 4Å; I170-V197 HydrophobicContact CD1-CG2 3.74Å; I178-V197 HydrophobicContact CB-CG2 4.31Å; I178-V197 HydrophobicContact CD1-CG2 4.46Å; I178-V197 WeakPolarHBondContact O-CA 3.38Å; I180-V197 HydrophobicContact CD1-CG1 3.79Å; L189-V197 HydrophobicContact CD2-CG2 3.58Å; L189-V197 HydrophobicContact CG-CG2 4.34Å; T195-V197 HydrophobicContact CG2-CG2 4.3Å; V197-F199 HydrophobicContact CG1-CD1 4.35Å; V197-Q215 PolarHBondContact N-O 2.81Å; V197-I216 HydrophobicContact CB-CD1 3.9Å; V197-I216 HydrophobicContact CG2-CD1 4.25Å; V197-I216 CarbonylContact O-C 3.49Å; V197-I216 WeakPolarHBondContact O-CA 3.29Å; V197-Q217 PolarHBondContact O-N 3.43Å
198V98.5Very high98.3Very high36 Ų3632.7 Ų32.722%0.21817%0.172CC..EExtended strand (participates in β ladder)trans-117.3129.9176.5-173.10000108.4I178 K179 I180 Q217 L219I178-V198 PolarHBondContact O-N 3.39Å; K179-V198 CarbonylContact C-O 3.58Å; K179-V198 WeakPolarHBondContact CA-O 3.45Å; I180-V198 PolarHBondContact N-O 3.49Å; V198-Q217 WeakPolarHBondContact CA-O 3.42Å; V198-Q217 HydrophobicContact CG1-CB 4.31Å; V198-Q217 HydrophobicContact CG1-CG 4.43Å; V198-Q217 HydrophobicContact CG2-CB 4.24Å; V198-L219 HydrophobicContact CG1-CD1 4.24Å; V198-L219 HydrophobicContact CG1-CD2 4.35Å; V198-L219 HydrophobicContact CG1-CG 4.22Å
199F98.4Very high98.3Very high1 Ų133.5 Ų33.50%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-143.4152.5-17862.7-97000113.6I180 I187 V197 L202 I216 Q217 T218 L219 L222I180-F199 HydrophobicContact CB-CB 3.85Å; I180-F199 HydrophobicContact CD1-CB 4.39Å; I180-F199 HydrophobicContact CG2-CB 4.4Å; I180-F199 WeakPolarHBondContact O-CA 3.21Å; I187-F199 HydrophobicContact CD1-CB 3.79Å; I187-F199 HydrophobicContact CD1-CD1 3.45Å; I187-F199 VanDerWaalsContact CD1-CD1 3.45Å; I187-F199 HydrophobicContact CD1-CD2 4.13Å; I187-F199 HydrophobicContact CD1-CE1 3.95Å; I187-F199 HydrophobicContact CD1-CG 3.53Å; V197-F199 HydrophobicContact CG1-CD1 4.35Å; F199-L202 HydrophobicContact CD2-CD1 4.43Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 HydrophobicContact CD2-CG 3.93Å; F199-L202 HydrophobicContact CE2-CD1 3.84Å; F199-L202 HydrophobicContact CE2-CD2 4.47Å; F199-L202 HydrophobicContact CE2-CG 3.59Å; F199-L202 HydrophobicContact CZ-CD1 3.87Å; F199-L202 HydrophobicContact CZ-CG 4.16Å; F199-I216 HydrophobicContact CD1-CG2 4.43Å; F199-I216 HydrophobicContact CE1-CG2 3.55Å; F199-I216 HydrophobicContact CZ-CG2 4.29Å; F199-Q217 PolarHBondContact N-O 2.78Å; F199-T218 VanDerWaalsContact CE2-CB 3.45Å; F199-T218 VanDerWaalsContact CE2-OG1 3.23Å; F199-T218 WeakPolarHBondContact CE2-OG1 3.46Å; F199-T218 CarbonylContact O-C 3.46Å; F199-T218 WeakPolarHBondContact O-CA 3.47Å; F199-L219 PolarHBondContact O-N 2.88Å; F199-L222 HydrophobicContact CE2-CD1 4.31Å; F199-L222 HydrophobicContact CZ-CD1 4.07Å; F199-L222 HydrophobicContact CZ-CD2 3.92Å; F199-L222 HydrophobicContact CZ-CG 4.5Å
200D97.6Very high98.3Very high69 Ų6936.4 Ų36.437%0.36919%0.19SC..EExtended strand (participates in β ladder)trans-70.4-40.6-176.6-69.3-8000113.2I180 G182 L219 G220I180-D200 PolarHBondContact O-N 2.87Å; G182-D200 PolarHBondContact N-OD2 2.99Å; D200-L219 CarbonylContact O-C 3.6Å; D200-G220 WeakPolarHBondContact O-CA 3.45Å; D200-G220 PolarHBondContact O-N 2.73Å
201G97.4Very high98.3Very high3 Ų335 Ų353%0.03118%0.182CC..EExtended strand (participates in β ladder)trans170.5164.2174.300000112.6K183 A184 E221K183-G201 WeakPolarHBondContact CA-O 3.28Å; A184-G201 PolarHBondContact N-O 3.49Å; A184-G201 VanDerWaalsContact N-O 3.15Å; G201-E221 CarbonylContact C-O 3.53Å; G201-E221 VanDerWaalsContact CA-O 3.31Å; G201-E221 WeakPolarHBondContact CA-O 3.44Å
202L98.4Very high98.3Very high1 Ų137.9 Ų37.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-125.6146.3-179-60.8179.6000112.3A184 I187 F199 Q205 C206 E221 L222 P223A184-L202 HydrophobicContact CB-CD2 3.79Å; A184-L202 CarbonylContact O-C 3.56Å; A184-L202 VanDerWaalsContact O-CA 3.31Å; A184-L202 WeakPolarHBondContact O-CA 3.27Å; I187-L202 HydrophobicContact CB-CD1 4.21Å; I187-L202 HydrophobicContact CD1-CD1 3.99Å; I187-L202 HydrophobicContact CD1-CD2 3.72Å; I187-L202 HydrophobicContact CD1-CG 4.27Å; I187-L202 HydrophobicContact CG1-CD1 4.09Å; I187-L202 HydrophobicContact CG1-CD2 3.75Å; F199-L202 HydrophobicContact CD2-CD1 4.43Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 HydrophobicContact CD2-CG 3.93Å; F199-L202 HydrophobicContact CE2-CD1 3.84Å; F199-L202 HydrophobicContact CE2-CD2 4.47Å; F199-L202 HydrophobicContact CE2-CG 3.59Å; F199-L202 HydrophobicContact CZ-CD1 3.87Å; F199-L202 HydrophobicContact CZ-CG 4.16Å; L202-Q205 WeakPolarHBondContact CD1-O 3.25Å; L202-C206 HydrophobicContact CD1-CB 3.83Å; L202-E221 PolarHBondContact N-O 3.06Å; L202-L222 HydrophobicContact CB-CD1 4.11Å; L202-L222 HydrophobicContact CD1-CD1 3.71Å; L202-L222 HydrophobicContact CG-CD1 4.24Å; L202-P223 WeakPolarHBondContact O-CD 3.3Å
203V98.1Very high98.3Very high66 Ų6640.6 Ų40.640%0.421%0.211SC..EExtended strand (participates in β ladder)trans-79.3-33.7172.71800000111.5K164 K183 A184 N185K164-V203 HydrophobicContact CB-CG2 3.99Å; K164-V203 HydrophobicContact CD-CG2 4.41Å; K164-V203 HydrophobicContact CG-CG2 4.47Å; K183-V203 HydrophobicContact CD-CG2 4.36Å; K183-V203 HydrophobicContact CG-CG2 4.35Å; A184-V203 PolarHBondContact O-N 2.89Å; N185-V203 PolarHBondContact O-N 3.15Å
204A98Very high98.3Very high37 Ų3734.8 Ų34.831%0.30619%0.189SC..EExtended strand (participates in β ladder)trans-119.7-79.5-172.200000112.8N185N185-A204 WeakPolarHBondContact O-CB 3.33Å; N185-A204 PolarHBondContact O-N 3.3Å
205Q98.1Very high98.3Very high76 Ų7632.9 Ų32.936%0.35518%0.182SC..EExtended strand (participates in β ladder)trans-155.1155.7-168.567.6-179.71000114.4A186 I187 L202 T224A186-Q205 VanDerWaalsContact CA-O 3.24Å; A186-Q205 WeakPolarHBondContact CA-O 3.43Å; A186-Q205 HydrophobicContact CB-CG 4.36Å; A186-Q205 WeakPolarHBondContact CB-O 3.31Å; I187-Q205 PolarHBondContact N-O 2.91Å; I187-Q205 VanDerWaalsContact N-O 3.13Å; L202-Q205 WeakPolarHBondContact CD1-O 3.25Å; Q205-T224 CarbonylContact C-O 3.59Å; Q205-T224 WeakPolarHBondContact CA-O 3.38Å
206C98.5Very high98.3Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-109.1126.3165.1-175.50000109.5I187 L202 L222 T224 V225 S226I187-C206 CarbonylContact O-C 3.52Å; I187-C206 WeakPolarHBondContact O-CA 3.29Å; L202-C206 HydrophobicContact CD1-CB 3.83Å; C206-L222 HydrophobicContact CB-CD1 4Å; C206-T224 PolarHBondContact N-O 3.04Å; C206-V225 HydrophobicContact CB-CG1 4.47Å; C206-V225 CarbonylContact O-C 3.49Å; C206-V225 VanDerWaalsContact O-CA 3.32Å; C206-V225 WeakPolarHBondContact O-CA 3.43Å; C206-S226 PolarHBondContact O-N 3.33Å
207E98.6Very high98.3Very high39 Ų3934.9 Ų34.918%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-118.5128.3-179.4-166.5173.6-161.100110.8I187 T188 L189 I209 S226 Q228I187-E207 PolarHBondContact O-N 2.98Å; T188-E207 CarbonylContact C-O 3.56Å; T188-E207 WeakPolarHBondContact CA-O 3.16Å; T188-E207 HydrophobicContact CG2-CB 4.38Å; L189-E207 PolarHBondContact N-O 2.83Å; E207-I209 HydrophobicContact CG-CD1 3.82Å; E207-I209 HydrophobicContact CG-CG1 3.66Å; E207-S226 CarbonylContact C-O 3.54Å; E207-S226 WeakPolarHBondContact CA-O 3.48Å; E207-Q228 PolarHBondContact OE1-NE2 2.92Å
208I98.8Very high98.3Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-119.9111.2-179.9-55120.5000108L189 C211 I214 I216 V225 S226 I227 Q228 T230 I235L189-I208 HydrophobicContact CD1-CG1 4.04Å; I208-C211 HydrophobicContact CG2-CB 3.77Å; I208-I214 HydrophobicContact CG2-CG1 4.26Å; I208-I214 HydrophobicContact CG2-CG2 4.45Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I208-I216 HydrophobicContact CG1-CD1 4.44Å; I208-I216 HydrophobicContact CG1-CG1 4.33Å; I208-V225 HydrophobicContact CD1-CG1 3.76Å; I208-S226 PolarHBondContact N-O 3.29Å; I208-I227 HydrophobicContact CD1-CG1 4.1Å; I208-Q228 PolarHBondContact O-N 3.26Å; I208-T230 HydrophobicContact CG2-CG2 3.86Å; I208-T230 PolarHBondContact O-OG1 3.13Å; I208-I235 HydrophobicContact CD1-CD1 4.47Å
209I98.6Very high98.2Very high43 Ų4337.7 Ų37.722%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-123.2131.9-171.4-47.8177.7000109.7T188 L189 D190 G191 E207 C211 Q228T188-I209 HydrophobicContact CG2-CD1 4.15Å; L189-I209 PolarHBondContact O-N 2.79Å; D190-I209 WeakPolarHBondContact CA-O 3.33Å; G191-I209 PolarHBondContact N-O 2.87Å; G191-I209 VanDerWaalsContact N-O 3.12Å; E207-I209 HydrophobicContact CG-CD1 3.82Å; E207-I209 HydrophobicContact CG-CG1 3.66Å; I209-C211 PolarHBondContact O-N 2.89Å; I209-C211 VanDerWaalsContact O-N 3.08Å; I209-C211 PolarHBondContact O-SG 3.47Å; I209-Q228 CarbonylContact C-O 3.46Å; I209-Q228 VanDerWaalsContact CA-O 3.3Å; I209-Q228 WeakPolarHBondContact CA-O 3.38Å
210N98.5Very high98.1Very high62 Ų6238 Ų3833%0.33221%0.206SC..SBendtrans55.833.7169.6-17360.4000113G191 Q228 K229G191-N210 VanDerWaalsContact CA-O 3.29Å; G191-N210 WeakPolarHBondContact CA-O 3.25Å; N210-Q228 PolarHBondContact N-O 2.9Å; N210-K229 WeakPolarHBondContact CA-O 3.23Å; N210-K229 HydrophobicContact CB-CD 4.32Å; N210-K229 PolarHBondContact N-O 3.27Å; N210-K229 PolarHBondContact OD1-NZ 2.88Å
211C98.7Very high98.1Very high4 Ų439.6 Ų39.63%0.02721%0.211CC..  trans-105.5171.2-174.6-69.50000112.4C192 I208 I209 I214 T230 D231C192-C211 PolarHBondContact N-SG 2.91Å; C192-C211 CarbonylContact O-C 3.57Å; C192-C211 WeakPolarHBondContact O-CA 3.42Å; C192-C211 WeakPolarHBondContact O-CB 3.42Å; I208-C211 HydrophobicContact CG2-CB 3.77Å; I209-C211 PolarHBondContact O-N 2.89Å; I209-C211 VanDerWaalsContact O-N 3.08Å; I209-C211 PolarHBondContact O-SG 3.47Å; C211-I214 HydrophobicContact CB-CD1 3.92Å; C211-I214 HydrophobicContact CB-CG1 3.42Å; C211-I214 VanDerWaalsContact CB-CG1 3.42Å; C211-T230 HydrophobicContact CB-CG2 3.88Å; C211-T230 PolarHBondContact N-OG1 2.95Å; C211-T230 VanDerWaalsContact O-CA 3.3Å; C211-T230 WeakPolarHBondContact O-CA 3.43Å; C211-T230 WeakPolarHBondContact O-CG2 3.47Å; C211-D231 PolarHBondContact O-N 3.39Å
212Q98.6Very high98.1Very high77 Ų7739.6 Ų39.636%0.3621%0.21SC..EExtended strand (participates in β ladder)trans-144136.4173.3-168.1-17515.100112.5C192 R193 K194 D231C192-Q212 PolarHBondContact O-N 3.44Å; R193-Q212 CarbonylContact C-O 3.54Å; R193-Q212 VanDerWaalsContact CA-O 3.23Å; R193-Q212 WeakPolarHBondContact CA-O 3.25Å; R193-Q212 HydrophobicContact CG-CB 4.2Å; K194-Q212 PolarHBondContact N-O 2.89Å; Q212-D231 CarbonylContact C-O 3.59Å; Q212-D231 WeakPolarHBondContact CA-O 3.43Å; Q212-D231 HydrophobicContact CG-CB 4.49Å; Q212-D231 WeakPolarHBondContact CG-O 3.5Å
213S98.1Very high98.1Very high57 Ų5742.1 Ų42.140%0.39923%0.227SC..EExtended strand (participates in β ladder)trans52.257.1178.4-50.40000112.2K194 D231 G232K194-S213 WeakPolarHBondContact CA-O 3.18Å; K194-S213 PolarHBondContact N-O 3.14Å; S213-D231 PolarHBondContact N-O 3.01Å; S213-G232 CarbonylContact C-O 3.55Å; S213-G232 WeakPolarHBondContact CA-O 3.25Å; S213-G232 PolarHBondContact N-O 3.31Å
214I98.6Very high98.1Very high2 Ų240.6 Ų40.61%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-96.4142.9-179.2-60.3-55.3000110.5L189 C192 T195 I208 C211 I216 G232 C233 H234L189-I214 HydrophobicContact CD2-CG2 3.95Å; C192-I214 HydrophobicContact CB-CD1 3.88Å; T195-I214 WeakPolarHBondContact O-CA 3.29Å; I208-I214 HydrophobicContact CG2-CG1 4.26Å; I208-I214 HydrophobicContact CG2-CG2 4.45Å; C211-I214 HydrophobicContact CB-CD1 3.92Å; C211-I214 HydrophobicContact CB-CG1 3.42Å; C211-I214 VanDerWaalsContact CB-CG1 3.42Å; I214-I216 HydrophobicContact CG2-CD1 3.65Å; I214-I216 HydrophobicContact CG2-CG1 3.9Å; I214-G232 PolarHBondContact N-O 3.47Å; I214-C233 WeakPolarHBondContact O-CA 3.44Å; I214-H234 PolarHBondContact O-N 2.87Å
215Q98.5Very high98.1Very high93 Ų9338.8 Ų38.844%0.43520%0.203SC..EExtended strand (participates in β ladder)trans-119.6131.3167.3-66.6177.8-21.100109.8T195 S196 V197 H234T195-Q215 PolarHBondContact O-N 3.04Å; T195-Q215 VanDerWaalsContact O-N 3.15Å; S196-Q215 CarbonylContact C-O 3.49Å; S196-Q215 WeakPolarHBondContact CA-O 3.45Å; S196-Q215 PolarHBondContact OG-OE1 3.46Å; S196-Q215 VanDerWaalsContact OG-OE1 3.13Å; V197-Q215 PolarHBondContact N-O 2.81Å; Q215-H234 CarbonylContact C-O 3.55Å; Q215-H234 VanDerWaalsContact CA-O 3.29Å; Q215-H234 WeakPolarHBondContact CA-O 3.48Å; Q215-H234 HydrophobicContact CG-CB 4.36Å
216I98.3Very high98.2Very high1 Ų135.7 Ų35.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-121.4135.4177.1-57.8-61.2000108.5L189 V197 F199 I208 I214 H234 I235 Y236L189-I216 HydrophobicContact CD1-CD1 3.85Å; L189-I216 HydrophobicContact CD2-CD1 3.83Å; V197-I216 HydrophobicContact CB-CD1 3.9Å; V197-I216 HydrophobicContact CG2-CD1 4.25Å; V197-I216 CarbonylContact O-C 3.49Å; V197-I216 WeakPolarHBondContact O-CA 3.29Å; F199-I216 HydrophobicContact CD1-CG2 4.43Å; F199-I216 HydrophobicContact CE1-CG2 3.55Å; F199-I216 HydrophobicContact CZ-CG2 4.29Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I208-I216 HydrophobicContact CG1-CD1 4.44Å; I208-I216 HydrophobicContact CG1-CG1 4.33Å; I214-I216 HydrophobicContact CG2-CD1 3.65Å; I214-I216 HydrophobicContact CG2-CG1 3.9Å; I216-H234 PolarHBondContact N-O 2.96Å; I216-I235 HydrophobicContact CB-CB 4.49Å; I216-I235 HydrophobicContact CB-CG1 4.06Å; I216-I235 HydrophobicContact CB-CG2 4.38Å; I216-I235 HydrophobicContact CG1-CG1 4.33Å; I216-I235 HydrophobicContact CG2-CG2 4.47Å; I216-I235 CarbonylContact O-C 3.54Å; I216-I235 WeakPolarHBondContact O-CA 3.23Å; I216-Y236 WeakPolarHBondContact O-CD2 3.12Å; I216-Y236 PolarHBondContact O-N 3.13Å
217Q98.2Very high98.2Very high65 Ų6535.7 Ų35.730%0.30419%0.19SC..EExtended strand (participates in β ladder)trans-133.5122.7172.3-177.61779.300110.1V197 V198 F199 L219 Y236V197-Q217 PolarHBondContact O-N 3.43Å; V198-Q217 WeakPolarHBondContact CA-O 3.42Å; V198-Q217 HydrophobicContact CG1-CB 4.31Å; V198-Q217 HydrophobicContact CG1-CG 4.43Å; V198-Q217 HydrophobicContact CG2-CB 4.24Å; F199-Q217 PolarHBondContact N-O 2.78Å; Q217-L219 HydrophobicContact CG-CD2 4.34Å; Q217-Y236 WeakPolarHBondContact CA-O 3.42Å
218T97.8Very high98.2Very high2 Ų237.1 Ų37.11%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-97.7139.1169.1-173.70000109.7F199 G220 L222 Y236 L237 S238 A241F199-T218 VanDerWaalsContact CE2-CB 3.45Å; F199-T218 VanDerWaalsContact CE2-OG1 3.23Å; F199-T218 WeakPolarHBondContact CE2-OG1 3.46Å; F199-T218 CarbonylContact O-C 3.46Å; F199-T218 WeakPolarHBondContact O-CA 3.47Å; T218-G220 PolarHBondContact OG1-N 3.08Å; T218-G220 PolarHBondContact OG1-O 2.85Å; T218-L222 HydrophobicContact CG2-CB 4.12Å; T218-L222 HydrophobicContact CG2-CD2 4.04Å; T218-Y236 PolarHBondContact N-O 3.37Å; T218-Y236 VanDerWaalsContact N-O 3.1Å; T218-L237 HydrophobicContact CG2-CD2 4.34Å; T218-S238 WeakPolarHBondContact O-CB 3.29Å; T218-A241 HydrophobicContact CG2-CB 3.73Å
219L97.1Very high98.1Very high93 Ų9343.1 Ų43.149%0.48722%0.222SC..SBendtrans-97-9.8174.3-55178.3000112.5V198 F199 D200 Q217V198-L219 HydrophobicContact CG1-CD1 4.24Å; V198-L219 HydrophobicContact CG1-CD2 4.35Å; V198-L219 HydrophobicContact CG1-CG 4.22Å; F199-L219 PolarHBondContact O-N 2.88Å; D200-L219 CarbonylContact O-C 3.6Å; Q217-L219 HydrophobicContact CG-CD2 4.34Å
220G96Very high98.1Very high8 Ų841 Ų418%0.08221%0.212CC..SBendtrans-150.1-152.8-177.500000111.1D200 T218 S238D200-G220 WeakPolarHBondContact O-CA 3.45Å; D200-G220 PolarHBondContact O-N 2.73Å; T218-G220 PolarHBondContact OG1-N 3.08Å; T218-G220 PolarHBondContact OG1-O 2.85Å; G220-S238 VanDerWaalsContact C-OG 3.3Å; G220-S238 PolarHBondContact O-OG 3.44Å
221E97.2Very high98.1Very high102 Ų10241.8 Ų41.848%0.47722%0.216SC..  trans-58.1138.1-172.6-64.5173.1-175.300113.6K183 G201 L202 D240K183-E221 IonicContact NZ-OE2 2.89Å; K183-E221 PolarHBondContact NZ-OE2 2.85Å; G201-E221 CarbonylContact C-O 3.53Å; G201-E221 VanDerWaalsContact CA-O 3.31Å; G201-E221 WeakPolarHBondContact CA-O 3.44Å; L202-E221 PolarHBondContact N-O 3.06Å; E221-D240 HydrophobicContact CG-CB 4.12Å
222L98.2Very high98Very high4 Ų442 Ų422%0.02122%0.219CC..  trans-147.9104.8173.2175.460.2000109.3F199 L202 C206 T218 V225 L237 A241 A244F199-L222 HydrophobicContact CE2-CD1 4.31Å; F199-L222 HydrophobicContact CZ-CD1 4.07Å; F199-L222 HydrophobicContact CZ-CD2 3.92Å; F199-L222 HydrophobicContact CZ-CG 4.5Å; L202-L222 HydrophobicContact CB-CD1 4.11Å; L202-L222 HydrophobicContact CD1-CD1 3.71Å; L202-L222 HydrophobicContact CG-CD1 4.24Å; C206-L222 HydrophobicContact CB-CD1 4Å; T218-L222 HydrophobicContact CG2-CB 4.12Å; T218-L222 HydrophobicContact CG2-CD2 4.04Å; L222-V225 HydrophobicContact CD1-CG2 4.34Å; L222-V225 HydrophobicContact CD2-CG2 3.47Å; L222-V225 VanDerWaalsContact CD2-CG2 3.47Å; L222-V225 HydrophobicContact CG-CG2 3.92Å; L222-L237 HydrophobicContact CD2-CD2 4.12Å; L222-A241 HydrophobicContact CB-CB 3.84Å; L222-A244 WeakPolarHBondContact O-CB 3.34Å
223P98Very high97.9Very high54 Ų5438.5 Ų38.535%0.35120%0.203SC..  trans-73.2-41.5-175.5-22.734.1000114.5L202 A244 Q245L202-P223 WeakPolarHBondContact O-CD 3.3Å; P223-A244 CarbonylContact O-C 3.6Å; P223-A244 WeakPolarHBondContact O-CA 3.49Å; P223-Q245 PolarHBondContact O-N 2.89Å
224T98.3Very high97.9Very high33 Ų3337.3 Ų37.320%0.20219%0.191CC..EExtended strand (participates in β ladder)trans-142139.6-173-56.40000111.7Q205 C206 Q245Q205-T224 CarbonylContact C-O 3.59Å; Q205-T224 WeakPolarHBondContact CA-O 3.38Å; C206-T224 PolarHBondContact N-O 3.04Å; T224-Q245 CarbonylContact C-O 3.6Å; T224-Q245 WeakPolarHBondContact CA-O 3.22Å
225V98.5Very high97.9Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-122.1132.6168.5-170.30000110C206 I208 L222 I227 I235 Q245 I246 V247C206-V225 HydrophobicContact CB-CG1 4.47Å; C206-V225 CarbonylContact O-C 3.49Å; C206-V225 VanDerWaalsContact O-CA 3.32Å; C206-V225 WeakPolarHBondContact O-CA 3.43Å; I208-V225 HydrophobicContact CD1-CG1 3.76Å; L222-V225 HydrophobicContact CD1-CG2 4.34Å; L222-V225 HydrophobicContact CD2-CG2 3.47Å; L222-V225 VanDerWaalsContact CD2-CG2 3.47Å; L222-V225 HydrophobicContact CG-CG2 3.92Å; V225-I227 HydrophobicContact CG1-CG1 4.22Å; V225-I235 HydrophobicContact CB-CD1 4.49Å; V225-I235 HydrophobicContact CG1-CD1 3.67Å; V225-Q245 PolarHBondContact N-O 3.02Å; V225-I246 HydrophobicContact CB-CD1 3.67Å; V225-I246 HydrophobicContact CG2-CD1 3.74Å; V225-I246 WeakPolarHBondContact O-CA 3.45Å; V225-V247 PolarHBondContact O-N 3.08Å
226S98.4Very high97.9Very high11 Ų1135.6 Ų35.68%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-119.2120178.8170.60000109.1C206 E207 I208 Q228 V247C206-S226 PolarHBondContact O-N 3.33Å; E207-S226 CarbonylContact C-O 3.54Å; E207-S226 WeakPolarHBondContact CA-O 3.48Å; I208-S226 PolarHBondContact N-O 3.29Å; S226-Q228 PolarHBondContact OG-NE2 3.22Å; S226-V247 CarbonylContact C-O 3.54Å; S226-V247 WeakPolarHBondContact CA-O 3.31Å
227I98.6Very high97.8Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-115.6115.7-179.4-47173.1000108.2I208 V225 T230 C233 I235 I246 V247 A248 S249 S251 M254 L272I208-I227 HydrophobicContact CD1-CG1 4.1Å; V225-I227 HydrophobicContact CG1-CG1 4.22Å; I227-T230 HydrophobicContact CG2-CG2 4.28Å; I227-C233 HydrophobicContact CG2-CB 4.36Å; I227-I235 HydrophobicContact CD1-CD1 3.64Å; I227-I235 HydrophobicContact CG1-CD1 4.25Å; I227-I246 HydrophobicContact CD1-CG2 4.27Å; I227-V247 PolarHBondContact N-O 3.34Å; I227-A248 CarbonylContact O-C 3.47Å; I227-A248 WeakPolarHBondContact O-CA 3.24Å; I227-S249 PolarHBondContact O-N 3.41Å; I227-S251 PolarHBondContact O-OG 2.8Å; I227-M254 HydrophobicContact CB-SD 4.15Å; I227-M254 HydrophobicContact CD1-CB 4.47Å; I227-M254 HydrophobicContact CD1-CG 4.22Å; I227-M254 HydrophobicContact CD1-SD 3.92Å; I227-M254 HydrophobicContact CG2-CG 4.35Å; I227-M254 HydrophobicContact CG2-SD 3.91Å; I227-L272 HydrophobicContact CD1-CD1 4.2Å
228Q98.4Very high97.7Very high69 Ų6933.5 Ų33.532%0.32217%0.172SC..EExtended strand (participates in β ladder)trans-131.7130.2-175-60-17539.600111.2E207 I208 I209 N210 S226 T230 S249E207-Q228 PolarHBondContact OE1-NE2 2.92Å; I208-Q228 PolarHBondContact O-N 3.26Å; I209-Q228 CarbonylContact C-O 3.46Å; I209-Q228 VanDerWaalsContact CA-O 3.3Å; I209-Q228 WeakPolarHBondContact CA-O 3.38Å; N210-Q228 PolarHBondContact N-O 2.9Å; S226-Q228 PolarHBondContact OG-NE2 3.22Å; Q228-T230 PolarHBondContact O-N 2.89Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; Q228-T230 PolarHBondContact O-OG1 2.99Å; Q228-S249 WeakPolarHBondContact CA-O 3.33Å; Q228-S249 WeakPolarHBondContact CG-OG 3.4Å
229K98.2Very high97.5Very high125 Ų12538.6 Ų38.654%0.54319%0.191SC..SBendtrans50.540.8174.7-159.5-163.2173.4-157.10112.6N210 S249 K250 S251N210-K229 WeakPolarHBondContact CA-O 3.23Å; N210-K229 HydrophobicContact CB-CD 4.32Å; N210-K229 PolarHBondContact N-O 3.27Å; N210-K229 PolarHBondContact OD1-NZ 2.88Å; K229-S249 PolarHBondContact N-O 2.93Å; K229-K250 WeakPolarHBondContact CA-O 3.38Å; K229-K250 PolarHBondContact N-O 3.46Å; K229-S251 PolarHBondContact N-OG 2.88Å; K229-S251 VanDerWaalsContact N-OG 3.08Å
230T98.4Very high97.4Very high0 Ų039.7 Ų39.70%020%0.198CC..  trans-124.1134.1-172.9-67.20000110.1I208 C211 I227 Q228 C233 S251 S252I208-T230 HydrophobicContact CG2-CG2 3.86Å; I208-T230 PolarHBondContact O-OG1 3.13Å; C211-T230 HydrophobicContact CB-CG2 3.88Å; C211-T230 PolarHBondContact N-OG1 2.95Å; C211-T230 VanDerWaalsContact O-CA 3.3Å; C211-T230 WeakPolarHBondContact O-CA 3.43Å; C211-T230 WeakPolarHBondContact O-CG2 3.47Å; I227-T230 HydrophobicContact CG2-CG2 4.28Å; Q228-T230 PolarHBondContact O-N 2.89Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; Q228-T230 PolarHBondContact O-OG1 2.99Å; T230-C233 HydrophobicContact CG2-CB 4.09Å; T230-S251 PolarHBondContact N-OG 3.48Å; T230-S251 VanDerWaalsContact N-OG 3.11Å; T230-S251 CarbonylContact O-C 3.51Å; T230-S251 WeakPolarHBondContact O-CA 3.44Å; T230-S251 WeakPolarHBondContact O-CB 3.47Å; T230-S252 PolarHBondContact O-N 3.37Å
231D98.1Very high97.4Very high78 Ų7839.4 Ų39.442%0.41719%0.194SC..EExtended strand (participates in β ladder)trans-113.7114.2180-58.8-45.7000109.5C211 Q212 S213 S252C211-D231 PolarHBondContact O-N 3.39Å; Q212-D231 CarbonylContact C-O 3.59Å; Q212-D231 WeakPolarHBondContact CA-O 3.43Å; Q212-D231 HydrophobicContact CG-CB 4.49Å; Q212-D231 WeakPolarHBondContact CG-O 3.5Å; S213-D231 PolarHBondContact N-O 3.01Å; D231-S252 PolarHBondContact OD1-OG 2.94Å
232G96.3Very high97.3Very high9 Ų937.9 Ų37.99%0.09319%0.189CC..EExtended strand (participates in β ladder)trans81.197.9-174.100000111.5S213 I214 S252 E253S213-G232 CarbonylContact C-O 3.55Å; S213-G232 WeakPolarHBondContact CA-O 3.25Å; S213-G232 PolarHBondContact N-O 3.31Å; I214-G232 PolarHBondContact N-O 3.47Å; G232-S252 PolarHBondContact N-O 3.26Å; G232-E253 CarbonylContact C-O 3.54Å; G232-E253 VanDerWaalsContact CA-O 3.3Å; G232-E253 WeakPolarHBondContact CA-O 3.47Å
233C97Very high97.1Very high3 Ų345.2 Ų45.22%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-141.5119.2175.9-172.60000110.7I214 I227 T230 E253 M254 N255I214-C233 WeakPolarHBondContact O-CA 3.44Å; I227-C233 HydrophobicContact CG2-CB 4.36Å; T230-C233 HydrophobicContact CG2-CB 4.09Å; C233-E253 PolarHBondContact N-O 3.36Å; C233-M254 WeakPolarHBondContact O-CA 3.37Å; C233-N255 PolarHBondContact O-N 3.09Å
234H98.4Very high97Very high31 Ų3143.5 Ų43.514%0.14422%0.219CC..EExtended strand (participates in β ladder)trans-113.9120.4176.7-163.3169.9000109.9I214 Q215 I216 Y236 N255 S257 E269I214-H234 PolarHBondContact O-N 2.87Å; Q215-H234 CarbonylContact C-O 3.55Å; Q215-H234 VanDerWaalsContact CA-O 3.29Å; Q215-H234 WeakPolarHBondContact CA-O 3.48Å; Q215-H234 HydrophobicContact CG-CB 4.36Å; I216-H234 PolarHBondContact N-O 2.96Å; H234-Y236 HydrophobicContact CB-CE2 4.31Å; H234-Y236 AromaticContact CD2-CE2 3.88Å; H234-Y236 AromaticContact CD2-CZ 3.99Å; H234-Y236 AromaticContact CE1-CZ 3.43Å; H234-Y236 VanDerWaalsContact CE1-CZ 3.43Å; H234-Y236 PolarHBondContact CE1-OH 3.15Å; H234-Y236 AromaticContact CG-CE2 3.7Å; H234-Y236 AromaticContact CG-CZ 3.92Å; H234-Y236 AromaticContact ND1-CE2 3.76Å; H234-Y236 AromaticContact ND1-CZ 3.55Å; H234-Y236 PolarHBondContact ND1-OH 3Å; H234-Y236 AromaticContact NE2-CE1 3.97Å; H234-Y236 AromaticContact NE2-CZ 3.66Å; H234-N255 CarbonylContact C-O 3.6Å; H234-N255 WeakPolarHBondContact CA-O 3.41Å; H234-N255 PolarHBondContact CD2-O 3.42Å; H234-S257 PolarHBondContact NE2-OG 3.47Å; H234-E269 IonicContact CE1-OE2 2.95Å
235I98.3Very high97Very high0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-114.1122.9-179.3-59.8153000109.5I208 I216 V225 I227 L237 N255 I256 S257I208-I235 HydrophobicContact CD1-CD1 4.47Å; I216-I235 HydrophobicContact CB-CB 4.49Å; I216-I235 HydrophobicContact CB-CG1 4.06Å; I216-I235 HydrophobicContact CB-CG2 4.38Å; I216-I235 HydrophobicContact CG1-CG1 4.33Å; I216-I235 HydrophobicContact CG2-CG2 4.47Å; I216-I235 CarbonylContact O-C 3.54Å; I216-I235 WeakPolarHBondContact O-CA 3.23Å; V225-I235 HydrophobicContact CB-CD1 4.49Å; V225-I235 HydrophobicContact CG1-CD1 3.67Å; I227-I235 HydrophobicContact CD1-CD1 3.64Å; I227-I235 HydrophobicContact CG1-CD1 4.25Å; I235-L237 HydrophobicContact CG2-CD2 3.8Å; I235-L237 HydrophobicContact CG2-CG 4.42Å; I235-N255 PolarHBondContact N-O 3.03Å; I235-I256 HydrophobicContact CB-CD1 3.71Å; I235-I256 HydrophobicContact CD1-CD1 3.53Å; I235-I256 HydrophobicContact CG1-CD1 4.16Å; I235-I256 HydrophobicContact CG2-CD1 4.37Å; I235-I256 CarbonylContact O-C 3.56Å; I235-I256 WeakPolarHBondContact O-CA 3.28Å; I235-S257 PolarHBondContact O-N 3.22Å
236Y98.1Very high97Very high59 Ų5950.8 Ų50.823%0.23125%0.252CS..EExtended strand (participates in β ladder)trans-98.3113.5173.7-61.9-96000108.7I216 Q217 T218 H234 S257 Y267I216-Y236 WeakPolarHBondContact O-CD2 3.12Å; I216-Y236 PolarHBondContact O-N 3.13Å; Q217-Y236 WeakPolarHBondContact CA-O 3.42Å; T218-Y236 PolarHBondContact N-O 3.37Å; T218-Y236 VanDerWaalsContact N-O 3.1Å; H234-Y236 HydrophobicContact CB-CE2 4.31Å; H234-Y236 AromaticContact CD2-CE2 3.88Å; H234-Y236 AromaticContact CD2-CZ 3.99Å; H234-Y236 AromaticContact CE1-CZ 3.43Å; H234-Y236 VanDerWaalsContact CE1-CZ 3.43Å; H234-Y236 PolarHBondContact CE1-OH 3.15Å; H234-Y236 AromaticContact CG-CE2 3.7Å; H234-Y236 AromaticContact CG-CZ 3.92Å; H234-Y236 AromaticContact ND1-CE2 3.76Å; H234-Y236 AromaticContact ND1-CZ 3.55Å; H234-Y236 PolarHBondContact ND1-OH 3Å; H234-Y236 AromaticContact NE2-CE1 3.97Å; H234-Y236 AromaticContact NE2-CZ 3.66Å; Y236-S257 WeakPolarHBondContact CA-O 3.47Å; Y236-Y267 HydrophobicContact CD1-CD1 4.26Å; Y236-Y267 HydrophobicContact CD1-CD2 4.38Å; Y236-Y267 HydrophobicContact CD1-CE1 4.21Å; Y236-Y267 HydrophobicContact CD1-CE2 4.32Å; Y236-Y267 HydrophobicContact CD1-CG 4.34Å
237L97.3Very high97Very high9 Ų954.1 Ų54.15%0.04727%0.271CS..  trans-87145.2177.4-60179.8000110.7T218 L222 I235 A241 A244 I256 S257 A258T218-L237 HydrophobicContact CG2-CD2 4.34Å; L222-L237 HydrophobicContact CD2-CD2 4.12Å; I235-L237 HydrophobicContact CG2-CD2 3.8Å; I235-L237 HydrophobicContact CG2-CG 4.42Å; L237-A241 HydrophobicContact CB-CB 4.28Å; L237-A241 HydrophobicContact CD2-CB 4.19Å; L237-A244 HydrophobicContact CD1-CB 4.41Å; L237-A244 HydrophobicContact CD2-CB 4.29Å; L237-I256 HydrophobicContact CD1-CG2 3.59Å; L237-I256 HydrophobicContact CG-CG2 3.93Å; L237-S257 PolarHBondContact N-O 3.35Å; L237-A258 HydrophobicContact CB-CB 4.22Å
238S95.5Very high96.9Very high13 Ų1356.4 Ų56.49%0.09129%0.29CS..  trans-80168.3164.968.50000109.8T218 G220 D240 A241T218-S238 WeakPolarHBondContact O-CB 3.29Å; G220-S238 VanDerWaalsContact C-OG 3.3Å; G220-S238 PolarHBondContact O-OG 3.44Å; S238-D240 PolarHBondContact O-N 2.98Å; S238-D240 PolarHBondContact OG-N 3.48Å; S238-A241 PolarHBondContact O-N 2.84Å; S238-A241 WeakPolarHBondContact OG-CB 3.19Å; S238-A241 PolarHBondContact OG-N 3.22Å
239R93Very high96.8Very high110 Ų11055.7 Ų55.742%0.41529%0.293SS..G310 helixtrans-60.1-33171.8-64.9-167.4-179.6110.3-0.2112.2A241 L242 D264R239-A241 PolarHBondContact O-N 3.41Å; R239-L242 WeakPolarHBondContact O-CG 3.48Å; R239-D264 PolarHBondContact NH2-O 3.45Å
240D95Very high96.8Very high115 Ų11558.9 Ų58.962%0.61531%0.307SS*.G310 helixtrans-73.8-10.7177.4-60.6-25000113.3E221 S238E221-D240 HydrophobicContact CG-CB 4.12Å; S238-D240 PolarHBondContact O-N 2.98Å; S238-D240 PolarHBondContact OG-N 3.48Å
241A96.2Very high96.8Very high2 Ų259.6 Ų59.62%0.01731%0.311CS..G310 helixtrans-11111-177.500000113.7T218 L222 L237 S238 R239 N243 A244T218-A241 HydrophobicContact CG2-CB 3.73Å; L222-A241 HydrophobicContact CB-CB 3.84Å; L237-A241 HydrophobicContact CB-CB 4.28Å; L237-A241 HydrophobicContact CD2-CB 4.19Å; S238-A241 PolarHBondContact O-N 2.84Å; S238-A241 WeakPolarHBondContact OG-CB 3.19Å; S238-A241 PolarHBondContact OG-N 3.22Å; R239-A241 PolarHBondContact O-N 3.41Å; A241-N243 PolarHBondContact O-N 2.99Å; A241-N243 VanDerWaalsContact O-N 3.13Å; A241-A244 WeakPolarHBondContact O-CB 3.31Å; A241-A244 PolarHBondContact O-N 3.49Å
242L94.4Very high96.7Very high71 Ų7157.2 Ų57.237%0.37230%0.301SS..THydrogen-bonded Turntrans-59.6-26.8-178.4-70.5176.1000113.9R239 A244 A258 L260R239-L242 WeakPolarHBondContact O-CG 3.48Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A258 HydrophobicContact CD2-CB 3.7Å; L242-L260 HydrophobicContact CD2-CD2 4.32Å
243N94.4Very high96.7Very high158 Ų15863 Ų6385%0.84533%0.326SS*.THydrogen-bonded Turntrans-90.313177.8-63.2-51.3000113.6A241 Q245A241-N243 PolarHBondContact O-N 2.99Å; A241-N243 VanDerWaalsContact O-N 3.13Å; N243-Q245 PolarHBondContact O-N 2.95Å
244A97.2Very high96.7Very high17 Ų1763 Ų6314%0.1433%0.326CS..  trans-59.6131.2-179.900000111.4L222 P223 L237 A241 L242 I246L222-A244 WeakPolarHBondContact O-CB 3.34Å; P223-A244 CarbonylContact O-C 3.6Å; P223-A244 WeakPolarHBondContact O-CA 3.49Å; L237-A244 HydrophobicContact CD1-CB 4.41Å; L237-A244 HydrophobicContact CD2-CB 4.29Å; A241-A244 WeakPolarHBondContact O-CB 3.31Å; A241-A244 PolarHBondContact O-N 3.49Å; L242-A244 VanDerWaalsContact C-N 3.3Å; A244-I246 HydrophobicContact CB-CD1 4.29Å
245Q98.1Very high96.7Very high135 Ų13563.4 Ų63.463%0.63133%0.328SS*.EExtended strand (participates in β ladder)trans-82.7124.6172.2-68.2176.451.100109.7P223 T224 V225 N243P223-Q245 PolarHBondContact O-N 2.89Å; T224-Q245 CarbonylContact C-O 3.6Å; T224-Q245 WeakPolarHBondContact CA-O 3.22Å; V225-Q245 PolarHBondContact N-O 3.02Å; N243-Q245 PolarHBondContact O-N 2.95Å
246I97.5Very high96.7Very high52 Ų5263.8 Ų63.827%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-105.6122.4178.7-46.4-61.2000109.6V225 I227 A244 I256 L272V225-I246 HydrophobicContact CB-CD1 3.67Å; V225-I246 HydrophobicContact CG2-CD1 3.74Å; V225-I246 WeakPolarHBondContact O-CA 3.45Å; I227-I246 HydrophobicContact CD1-CG2 4.27Å; A244-I246 HydrophobicContact CB-CD1 4.29Å; I246-I256 HydrophobicContact CD1-CD1 4.18Å; I246-I256 HydrophobicContact CG1-CD1 4.27Å; I246-I256 HydrophobicContact CG1-CG1 4.48Å; I246-I256 HydrophobicContact CG2-CD1 4.42Å; I246-L272 HydrophobicContact CG2-CD1 3.6Å
247V97.9Very high96.6Very high81 Ų8161.1 Ų61.149%0.49132%0.32SS..EExtended strand (participates in β ladder)trans-115.7121.8177.6-176.80000108.2V225 S226 I227V225-V247 PolarHBondContact O-N 3.08Å; S226-V247 CarbonylContact C-O 3.54Å; S226-V247 WeakPolarHBondContact CA-O 3.31Å; I227-V247 PolarHBondContact N-O 3.34Å
248A97.6Very high96.5Very high47 Ų4760.8 Ų60.839%0.38832%0.319SS..EExtended strand (participates in β ladder)trans-121142179.800000111.5I227 M254I227-A248 CarbonylContact O-C 3.47Å; I227-A248 WeakPolarHBondContact O-CA 3.24Å; A248-M254 HydrophobicContact CB-CE 3.8Å; A248-M254 HydrophobicContact CB-SD 3.62Å
249S96.9Very high96.3Very high55 Ų5561.7 Ų61.739%0.38532%0.322SS..EExtended strand (participates in β ladder)trans-149136.9169.871.70000112I227 Q228 K229 S251I227-S249 PolarHBondContact O-N 3.41Å; Q228-S249 WeakPolarHBondContact CA-O 3.33Å; Q228-S249 WeakPolarHBondContact CG-OG 3.4Å; K229-S249 PolarHBondContact N-O 2.93Å; S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.07Å; S249-S251 PolarHBondContact O-OG 3.45Å
250K96.8Very high96Very high192 Ų19260.8 Ų60.884%0.83533%0.325SS*.SBendtrans47.938.6178.5-60.5-179.2176.4176.30113.2K229K229-K250 WeakPolarHBondContact CA-O 3.38Å; K229-K250 PolarHBondContact N-O 3.46Å
251S97.9Very high95.5Very high14 Ų1462 Ų6210%0.09833%0.327CS..  trans-127.9152.9-174-60.60000109I227 K229 T230 S249 M254I227-S251 PolarHBondContact O-OG 2.8Å; K229-S251 PolarHBondContact N-OG 2.88Å; K229-S251 VanDerWaalsContact N-OG 3.08Å; T230-S251 PolarHBondContact N-OG 3.48Å; T230-S251 VanDerWaalsContact N-OG 3.11Å; T230-S251 CarbonylContact O-C 3.51Å; T230-S251 WeakPolarHBondContact O-CA 3.44Å; T230-S251 WeakPolarHBondContact O-CB 3.47Å; S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.07Å; S249-S251 PolarHBondContact O-OG 3.45Å; S251-M254 WeakPolarHBondContact CB-SD 3.31Å
252S97.3Very high94.5Very high28 Ų2869.7 Ų69.720%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-135.8161.8-177.165.40000111.8T230 D231 G232 M254 E274T230-S252 PolarHBondContact O-N 3.37Å; D231-S252 PolarHBondContact OD1-OG 2.94Å; G232-S252 PolarHBondContact N-O 3.26Å; S252-M254 PolarHBondContact O-N 3.03Å; S252-E274 WeakPolarHBondContact CA-OE2 3.4Å
253E96.3Very high93.6Very high131 Ų13169.4 Ų69.461%0.61238%0.383SS*.EExtended strand (participates in β ladder)trans55.451.8177.8-59.3174.3-162.200112G232 C233 E274G232-E253 CarbonylContact C-O 3.54Å; G232-E253 VanDerWaalsContact CA-O 3.3Å; G232-E253 WeakPolarHBondContact CA-O 3.47Å; C233-E253 PolarHBondContact N-O 3.36Å; E253-E274 PolarHBondContact N-OE2 3.2Å
254M97.6Very high92.9Very high4 Ų464.5 Ų64.52%0.0236%0.356CS..EExtended strand (participates in β ladder)trans-103.5124.2-176.9-60.6173.2-68.800111.2I227 C233 A248 S251 S252 L272 E274I227-M254 HydrophobicContact CB-SD 4.15Å; I227-M254 HydrophobicContact CD1-CB 4.47Å; I227-M254 HydrophobicContact CD1-CG 4.22Å; I227-M254 HydrophobicContact CD1-SD 3.92Å; I227-M254 HydrophobicContact CG2-CG 4.35Å; I227-M254 HydrophobicContact CG2-SD 3.91Å; C233-M254 WeakPolarHBondContact O-CA 3.37Å; A248-M254 HydrophobicContact CB-CE 3.8Å; A248-M254 HydrophobicContact CB-SD 3.62Å; S251-M254 WeakPolarHBondContact CB-SD 3.31Å; S252-M254 PolarHBondContact O-N 3.03Å; M254-L272 HydrophobicContact CB-CB 4.03Å; M254-L272 HydrophobicContact CB-CD1 3.85Å; M254-L272 HydrophobicContact CB-CG 4.19Å; M254-L272 HydrophobicContact CE-CB 4.23Å; M254-L272 PolarHBondContact O-N 2.89Å; M254-L272 HydrophobicContact SD-CD1 4.31Å; M254-E274 HydrophobicContact CE-CB 4.29Å
255N97.6Very high92.1Very high38 Ų3870.3 Ų70.320%0.20339%0.385CS..EExtended strand (participates in β ladder)trans-129.5136.8-177.1-62.972.8000110.1C233 H234 I235 E269C233-N255 PolarHBondContact O-N 3.09Å; H234-N255 CarbonylContact C-O 3.6Å; H234-N255 WeakPolarHBondContact CA-O 3.41Å; H234-N255 PolarHBondContact CD2-O 3.42Å; I235-N255 PolarHBondContact N-O 3.03Å; N255-E269 HydrophobicContact CB-CG 4.18Å; N255-E269 PolarHBondContact ND2-OE1 3.33Å
256I97.3Very high91.7Very high8 Ų870.7 Ų70.74%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-113.6129.4172.9-53.1-59.5000108.1I235 L237 I246 M270 L272I235-I256 HydrophobicContact CB-CD1 3.71Å; I235-I256 HydrophobicContact CD1-CD1 3.53Å; I235-I256 HydrophobicContact CG1-CD1 4.16Å; I235-I256 HydrophobicContact CG2-CD1 4.37Å; I235-I256 CarbonylContact O-C 3.56Å; I235-I256 WeakPolarHBondContact O-CA 3.28Å; L237-I256 HydrophobicContact CD1-CG2 3.59Å; L237-I256 HydrophobicContact CG-CG2 3.93Å; I246-I256 HydrophobicContact CD1-CD1 4.18Å; I246-I256 HydrophobicContact CG1-CD1 4.27Å; I246-I256 HydrophobicContact CG1-CG1 4.48Å; I246-I256 HydrophobicContact CG2-CD1 4.42Å; I256-M270 HydrophobicContact CG2-CE 4.49Å; I256-M270 PolarHBondContact N-O 3.31Å; I256-M270 PolarHBondContact O-N 3.39Å; I256-L272 HydrophobicContact CD1-CD1 4.3Å; I256-L272 HydrophobicContact CG1-CD1 4.24Å; I256-L272 HydrophobicContact CG1-CD2 3.91Å; I256-L272 HydrophobicContact CG1-CG 4.08Å
257S96.8Very high91.5Very high3 Ų371.8 Ų71.82%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-115.8129.3173.9-74.70000110.4H234 I235 Y236 L237 T268H234-S257 PolarHBondContact NE2-OG 3.47Å; I235-S257 PolarHBondContact O-N 3.22Å; Y236-S257 WeakPolarHBondContact CA-O 3.47Å; L237-S257 PolarHBondContact N-O 3.35Å; S257-T268 VanDerWaalsContact CA-O 3.3Å; S257-T268 WeakPolarHBondContact CA-O 3.3Å
258A94.8Very high91.3Very high2 Ų270.8 Ų70.82%0.01738%0.382CS..EExtended strand (participates in β ladder)trans-143.4150.8177.900000111.6L237 L242 L260 T268L237-A258 HydrophobicContact CB-CB 4.22Å; L242-A258 HydrophobicContact CD2-CB 3.7Å; A258-L260 HydrophobicContact CB-CD2 4.01Å; A258-T268 PolarHBondContact N-O 3.07Å; A258-T268 VanDerWaalsContact N-O 3.1Å; A258-T268 PolarHBondContact O-N 2.86Å
259M91.3Very high91.2Very high33 Ų3374 Ų7416%0.16339%0.389CS..  trans-86.1106.9166.9-64.9168.3179.500107.3D265 Y267M259-D265 WeakPolarHBondContact CE-O 3.49Å; M259-Y267 HydrophobicContact CE-CD2 4.01Å; M259-Y267 HydrophobicContact CE-CE1 4.43Å; M259-Y267 HydrophobicContact CE-CE2 3.61Å; M259-Y267 HydrophobicContact CG-CD1 4.26Å; M259-Y267 HydrophobicContact CG-CE1 4.27Å
260L87.4Confident91.1Very high91 Ų9175.3 Ų75.348%0.47639%0.39SS..  trans-86.3-23.5-168.6-62177.6000113.4L242 A258 T268 M270L242-L260 HydrophobicContact CD2-CD2 4.32Å; A258-L260 HydrophobicContact CB-CD2 4.01Å; L260-T268 HydrophobicContact CD1-CG2 4.04Å; L260-M270 HydrophobicContact CD2-CE 4.46Å
261E84.1Confident91.1Very high139 Ų13968.9 Ų68.965%0.6537%0.373SS*.SBendtrans-114.2148-176.4-61.8-172.4-178.600111.9G263 D264E261-G263 PolarHBondContact O-N 2.91Å; E261-D264 HydrophobicContact CB-CB 4.14Å; E261-D264 PolarHBondContact O-N 3.1Å
262D75.5Confident91Very high164 Ų16469.9 Ų69.988%0.87738%0.377SS*.THydrogen-bonded Turntrans-68.8120.2177.2-74-35.7000110.3
263G76.1Confident90.8Very high66 Ų6671 Ų7168%0.6838%0.384SS*.THydrogen-bonded Turntrans88.70.3-178.200000114.7E261E261-G263 PolarHBondContact O-N 2.91Å
264D78.3Confident90.7Very high54 Ų5469.2 Ų69.229%0.28938%0.375SS..  trans-79.8130.8169.1-1643.5000110.3R239 E261 E266R239-D264 PolarHBondContact NH2-O 3.45Å; E261-D264 HydrophobicContact CB-CB 4.14Å; E261-D264 PolarHBondContact O-N 3.1Å; D264-E266 PolarHBondContact OD1-N 3.32Å
265D80.9Confident90.5Very high139 Ų13975.3 Ų75.374%0.74340%0.404SS*.  trans-103.11177.9-68.7-37.1000111.7M259M259-D265 WeakPolarHBondContact CE-O 3.49Å
266E89.6Confident90.3Very high144 Ų14479.5 Ų79.567%0.67342%0.42SS*.SBendtrans-97.2138.2178-166.6164.4-174.900112D264D264-E266 PolarHBondContact OD1-N 3.32Å
267Y92.7Very high90.2Very high75 Ų7583.1 Ų83.129%0.29444%0.438SS..PPolyproline II helixtrans-84.1122.1174.8-84.4-75.3000110Y236 M259Y236-Y267 HydrophobicContact CD1-CD1 4.26Å; Y236-Y267 HydrophobicContact CD1-CD2 4.38Å; Y236-Y267 HydrophobicContact CD1-CE1 4.21Å; Y236-Y267 HydrophobicContact CD1-CE2 4.32Å; Y236-Y267 HydrophobicContact CD1-CG 4.34Å; M259-Y267 HydrophobicContact CE-CD2 4.01Å; M259-Y267 HydrophobicContact CE-CE1 4.43Å; M259-Y267 HydrophobicContact CE-CE2 3.61Å; M259-Y267 HydrophobicContact CG-CD1 4.26Å; M259-Y267 HydrophobicContact CG-CE1 4.27Å
268T94.6Very high90.2Very high60 Ų6086.3 Ų86.337%0.36846%0.458SS..EExtended strand (participates in β ladder)trans-84.3122.7166.6-62.50000109.3S257 A258 L260 M270S257-T268 VanDerWaalsContact CA-O 3.3Å; S257-T268 WeakPolarHBondContact CA-O 3.3Å; A258-T268 PolarHBondContact N-O 3.07Å; A258-T268 VanDerWaalsContact N-O 3.1Å; A258-T268 PolarHBondContact O-N 2.86Å; L260-T268 HydrophobicContact CD1-CG2 4.04Å; T268-M270 HydrophobicContact CG2-CG 4.45Å
269E95.7Very high90.3Very high114 Ų11492.3 Ų92.353%0.53348%0.483SS..EExtended strand (participates in β ladder)trans-91.9132.7177.9-169.9-179.7150.100111.9H234 N255H234-E269 IonicContact CE1-OE2 2.95Å; N255-E269 HydrophobicContact CB-CG 4.18Å; N255-E269 PolarHBondContact ND2-OE1 3.33Å
270M94.9Very high90.6Very high82 Ų8297 Ų9740%0.40451%0.508SS..EExtended strand (participates in β ladder)trans-130.7120.8-179.2-60.9176.2-71.500109.8I256 L260 T268I256-M270 HydrophobicContact CG2-CE 4.49Å; I256-M270 PolarHBondContact N-O 3.31Å; I256-M270 PolarHBondContact O-N 3.39Å; L260-M270 HydrophobicContact CD2-CE 4.46Å; T268-M270 HydrophobicContact CG2-CG 4.45Å
271A95.9Very high91Very high57 Ų5797.1 Ų97.147%0.47151%0.512SS..EExtended strand (participates in β ladder)trans-77137.5174.900000111I292A271-I292 HydrophobicContact CB-CD1 4.03Å
272L95.3Very high91.5Very high36 Ų3693.8 Ų93.819%0.18852%0.515CS..PPolyproline II helixtrans-81.9141172.4-61.8-180000110.7I227 I246 M254 I256 E274I227-L272 HydrophobicContact CD1-CD1 4.2Å; I246-L272 HydrophobicContact CG2-CD1 3.6Å; M254-L272 HydrophobicContact CB-CB 4.03Å; M254-L272 HydrophobicContact CB-CD1 3.85Å; M254-L272 HydrophobicContact CB-CG 4.19Å; M254-L272 HydrophobicContact CE-CB 4.23Å; M254-L272 PolarHBondContact O-N 2.89Å; M254-L272 HydrophobicContact SD-CD1 4.31Å; I256-L272 HydrophobicContact CD1-CD1 4.3Å; I256-L272 HydrophobicContact CG1-CD1 4.24Å; I256-L272 HydrophobicContact CG1-CD2 3.91Å; I256-L272 HydrophobicContact CG1-CG 4.08Å; L272-E274 PolarHBondContact O-N 2.94Å
273P94.6Very high92.5Very high52 Ų5296.3 Ų96.334%0.33852%0.518SS..PPolyproline II helixtrans-67.6131.7173.128.3-33.6000110.7A289P273-A289 HydrophobicContact CB-CB 3.74Å; P273-A289 HydrophobicContact CG-CB 3.94Å
274E93.3Very high93.5Very high92 Ų92101 Ų10143%0.4352%0.52SS..  trans-115.2-11.2177.955.8178.3-132.100113.1S252 E253 M254 L272S252-E274 WeakPolarHBondContact CA-OE2 3.4Å; E253-E274 PolarHBondContact N-OE2 3.2Å; M254-E274 HydrophobicContact CE-CB 4.29Å; L272-E274 PolarHBondContact O-N 2.94Å
275Q92.8Very high94.4Very high133 Ų133104.3 Ų104.362%0.62154%0.537SS*.  trans-111.6135.9175.6-63.4-172.111.900111.2S290Q275-S290 WeakPolarHBondContact O-CB 3.35Å; Q275-S290 PolarHBondContact O-N 3Å
276F95.2Very high95.2Very high125 Ų125101.1 Ų101.155%0.54852%0.523SS..EExtended strand (participates in β ladder)trans-129.2132-177.5-60.2-88.3000110.6T287 V288 A289F276-T287 HydrophobicContact CB-CG2 3.81Å; F276-T287 HydrophobicContact CD1-CG2 4.35Å; F276-T287 HydrophobicContact CG-CG2 4.42Å; F276-V288 WeakPolarHBondContact CA-O 3.3Å; F276-A289 HydrophobicContact CD1-CB 4.31Å; F276-A289 HydrophobicContact CE1-CB 4.2Å
277M94.5Very high95.5Very high84 Ų8498 Ų9841%0.41451%0.513SS..EExtended strand (participates in β ladder)trans-97.2127.4174176.9175.642.200109.2K279 T287 V288M277-K279 HydrophobicContact CG-CG 4.48Å; M277-K279 WeakPolarHBondContact SD-CE 3.33Å; M277-T287 WeakPolarHBondContact O-CA 3.43Å; M277-V288 HydrophobicContact CB-CG2 4.34Å; M277-V288 HydrophobicContact CE-CG2 3.93Å; M277-V288 PolarHBondContact N-O 3.21Å; M277-V288 PolarHBondContact O-N 3.4Å
278T96.8Very high95.6Very high71 Ų7198 Ų9844%0.43652%0.521SS..EExtended strand (participates in β ladder)trans-116.2130176.5-59.60000110.2L285 V286 T287T278-L285 HydrophobicContact CG2-CB 4.03Å; T278-L285 HydrophobicContact CG2-CD2 3.95Å; T278-L285 HydrophobicContact CG2-CG 4.42Å; T278-V286 WeakPolarHBondContact CA-O 3.32Å; T278-T287 WeakPolarHBondContact OG1-CG2 3.42Å; T278-T287 PolarHBondContact OG1-OG1 3.14Å
279K96.6Very high95.5Very high127 Ų12797.5 Ų97.555%0.55252%0.523SS*.EExtended strand (participates in β ladder)trans-123.6148.9174.8-68.3179.1179169.30110.6M277 V286M277-K279 HydrophobicContact CG-CG 4.48Å; M277-K279 WeakPolarHBondContact SD-CE 3.33Å; K279-V286 PolarHBondContact N-O 2.86Å; K279-V286 PolarHBondContact O-N 3.36Å
280I97.6Very high95.2Very high133 Ų13394.3 Ų94.368%0.68251%0.513SS*.EExtended strand (participates in β ladder)trans-84117.5168.7-61.2168.4000107.6L285I280-L285 HydrophobicContact CG1-CD2 3.63Å
281V96.1Very high94.4Very high92 Ų9298.9 Ų98.956%0.55853%0.534SS*.EExtended strand (participates in β ladder)trans-118.6109.6174.4-177.30000108K283 K284 V286V281-K283 PolarHBondContact O-N 2.86Å; V281-K284 PolarHBondContact N-O 2.91Å; V281-K284 PolarHBondContact O-N 3.35Å; V281-V286 HydrophobicContact CB-CG2 4.02Å; V281-V286 HydrophobicContact CG2-CB 4.33Å; V281-V286 HydrophobicContact CG2-CG2 4.04Å
282G94.9Very high92.7Very high70 Ų70101.6 Ų101.672%0.72254%0.539SS*.THydrogen-bonded Turntrans62-115.3-169.900000111.4
283K95.6Very high90.2Very high216 Ų216109.6 Ų109.694%0.93959%0.589SS**THydrogen-bonded Turntrans-10915.6179.4-63.3-175.3179.5179.80113.6V281V281-K283 PolarHBondContact O-N 2.86Å
284K97Very high90Very high164 Ų164112.5 Ų112.571%0.71360%0.601SS**EExtended strand (participates in β ladder)trans-127.1151.9-177-64.7-176.3179.6-178.30110.9V281V281-K284 PolarHBondContact N-O 2.91Å; V281-K284 PolarHBondContact O-N 3.35Å
285L97.4Very high89.8Confident125 Ų125113.5 Ų113.565%0.65461%0.61SS**EExtended strand (participates in β ladder)trans-84.4133.2166-64.1173.6000108.7T278 I280T278-L285 HydrophobicContact CG2-CB 4.03Å; T278-L285 HydrophobicContact CG2-CD2 3.95Å; T278-L285 HydrophobicContact CG2-CG 4.42Å; I280-L285 HydrophobicContact CG1-CD2 3.63Å
286V97.2Very high89.6Confident72 Ų72112.4 Ų112.444%0.43661%0.61SS.*EExtended strand (participates in β ladder)trans-120.4122.9172.8-179.20000107.3T278 K279 V281T278-V286 WeakPolarHBondContact CA-O 3.32Å; K279-V286 PolarHBondContact N-O 2.86Å; K279-V286 PolarHBondContact O-N 3.36Å; V281-V286 HydrophobicContact CB-CG2 4.02Å; V281-V286 HydrophobicContact CG2-CB 4.33Å; V281-V286 HydrophobicContact CG2-CG2 4.04Å
287T96.4Very high89.3Confident78 Ų78111.7 Ų111.748%0.47961%0.613SS.*EExtended strand (participates in β ladder)trans-115.7133.3-177.4-55.60000108.8F276 M277 T278F276-T287 HydrophobicContact CB-CG2 3.81Å; F276-T287 HydrophobicContact CD1-CG2 4.35Å; F276-T287 HydrophobicContact CG-CG2 4.42Å; M277-T287 WeakPolarHBondContact O-CA 3.43Å; T278-T287 WeakPolarHBondContact OG1-CG2 3.42Å; T278-T287 PolarHBondContact OG1-OG1 3.14Å
288V95.1Very high89Confident74 Ų74113.4 Ų113.445%0.44863%0.626SS.*EExtended strand (participates in β ladder)trans-128.3149.9172.6-63.60000109.4F276 M277 S290F276-V288 WeakPolarHBondContact CA-O 3.3Å; M277-V288 HydrophobicContact CB-CG2 4.34Å; M277-V288 HydrophobicContact CE-CG2 3.93Å; M277-V288 PolarHBondContact N-O 3.21Å; M277-V288 PolarHBondContact O-N 3.4Å; V288-S290 PolarHBondContact O-N 3.44Å
289A93.5Very high88.4Confident50 Ų50116.3 Ų116.341%0.41364%0.639SS.*EExtended strand (participates in β ladder)trans-60.1134.9166.800000108.7P273 F276P273-A289 HydrophobicContact CB-CB 3.74Å; P273-A289 HydrophobicContact CG-CB 3.94Å; F276-A289 HydrophobicContact CD1-CB 4.31Å; F276-A289 HydrophobicContact CE1-CB 4.2Å
290S88.3Confident87.8Confident48 Ų48115.5 Ų115.534%0.33665%0.645SS.*PPolyproline II helixtrans-72.7135.3168.5-1690000107.9Q275 V288 I292Q275-S290 WeakPolarHBondContact O-CB 3.35Å; Q275-S290 PolarHBondContact O-N 3Å; V288-S290 PolarHBondContact O-N 3.44Å; S290-I292 PolarHBondContact O-N 3.26Å
291E78.4Confident87.1Confident178 Ų178114.2 Ų114.283%0.83264%0.642SS**PPolyproline II helixtrans-61.7133.5170.2-67.1-174.1175.900108.8V293E291-V293 PolarHBondContact O-N 3.46Å
292I59.2Low86.3Confident114 Ų114116 Ų11659%0.58565%0.649SS**PPolyproline II helixtrans-71.8117.9171.1-64.7166.5000105.7A271 S290A271-I292 HydrophobicContact CB-CD1 4.03Å; S290-I292 PolarHBondContact O-N 3.26Å
293V43.1Very low85.6Confident203 Ų203120.2 Ų120.2100%1.2364%0.642SS**  trans-87.40169.3-1760000109E291E291-V293 PolarHBondContact O-N 3.46Å

Retrieved 293 of 293 residues in 141 ms (Link to these results)