A0A5K4F4E6_SCHMA Loading...

Catechol O-methyltransferase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A5K4F4E6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M44.5Very low51Low240 Ų240126.6 Ų126.6100%1.18269%0.691SS**  01230-86174.7-92.900106.5D3M1-D3 PolarHBondContact O-N 3.33Å
2T43.8Very low51.1Low122 Ų122126.4 Ų126.475%0.74868%0.682SS**  trans-58.9124169-44.40000106.6L4T2-L4 VanDerWaalsContact C-N 3.32Å; T2-L4 PolarHBondContact O-N 3.05Å
3D50.1Low51.2Low117 Ų117128.1 Ų128.163%0.62667%0.674SS**  trans-63.9100.3169.3-175.52.7000107.4M1 T5M1-D3 PolarHBondContact O-N 3.33Å; D3-T5 WeakPolarHBondContact OD1-CA 3.39Å; D3-T5 WeakPolarHBondContact OD1-CB 3.49Å; D3-T5 PolarHBondContact OD1-N 3.17Å; D3-T5 PolarHBondContact OD1-OG1 2.85Å
4L59.9Low51.3Low156 Ų156122 Ų12282%0.81766%0.658SS**  trans-78.5-7.1176.8-66.2174.4000111.2T2 S6T2-L4 VanDerWaalsContact C-N 3.32Å; T2-L4 PolarHBondContact O-N 3.05Å; L4-S6 PolarHBondContact O-N 2.93Å
5T56.9Low51.6Low72 Ų72118.5 Ų118.544%0.44265%0.646SS.*  trans-85.991.4177.564.10000108.2D3 F7D3-T5 WeakPolarHBondContact OD1-CA 3.39Å; D3-T5 WeakPolarHBondContact OD1-CB 3.49Å; D3-T5 PolarHBondContact OD1-N 3.17Å; D3-T5 PolarHBondContact OD1-OG1 2.85Å; T5-F7 HydrophobicContact CG2-CE2 4.38Å; T5-F7 PolarHBondContact O-N 2.69Å; T5-F7 VanDerWaalsContact OG1-CD2 3.32Å; T5-F7 WeakPolarHBondContact OG1-CD2 3.5Å; T5-F7 WeakPolarHBondContact OG1-CE2 3.41Å
6S52.6Low52.1Low117 Ų117119.2 Ų119.282%0.81866%0.655SS**  trans-65.889.8166.865.10000108.1L4 K8L4-S6 PolarHBondContact O-N 2.93Å; S6-K8 PolarHBondContact O-N 3.1Å
7F49Very low52.6Low160 Ų160119.2 Ų119.270%0.70265%0.65SS**  trans-78.6111.1170-75.5-73.6000108.2T5 S9T5-F7 HydrophobicContact CG2-CE2 4.38Å; T5-F7 PolarHBondContact O-N 2.69Å; T5-F7 VanDerWaalsContact OG1-CD2 3.32Å; T5-F7 WeakPolarHBondContact OG1-CD2 3.5Å; T5-F7 WeakPolarHBondContact OG1-CE2 3.41Å; F7-S9 PolarHBondContact O-N 3.18Å; F7-S9 VanDerWaalsContact O-N 3.14Å
8K51.9Low53.8Low151 Ų151116.6 Ų116.666%0.65764%0.635SS**  trans-70.1102156.1-72.9-175.7176.4-170.60106.9S6 E12 Y13S6-K8 PolarHBondContact O-N 3.1Å; K8-E12 VanDerWaalsContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CA-OE2 3.47Å; K8-Y13 HydrophobicContact CB-CE2 4.18Å; K8-Y13 HydrophobicContact CD-CE2 4.16Å
9S47.5Very low54.9Low42 Ų42113.4 Ų113.429%0.29463%0.626SS.*  trans-69.1149.9-179.772.90000109.7F7 T11 E12F7-S9 PolarHBondContact O-N 3.18Å; F7-S9 VanDerWaalsContact O-N 3.14Å; S9-T11 WeakPolarHBondContact CB-OG1 3.5Å; S9-T11 PolarHBondContact O-N 3.34Å; S9-T11 PolarHBondContact OG-N 3.42Å; S9-T11 PolarHBondContact OG-OG1 2.94Å; S9-E12 WeakPolarHBondContact O-CB 3.46Å; S9-E12 PolarHBondContact O-N 2.75Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.45Å; S9-E12 VanDerWaalsContact OG-N 3.09Å
10V52.5Low56.1Low91 Ų91114.3 Ų114.355%0.55263%0.63SS**G310 helixtrans-59.6-29170.61770000110.3E12 Y13V10-E12 PolarHBondContact O-N 2.9Å; V10-Y13 PolarHBondContact O-N 2.89Å
11T52.3Low57.5Low125 Ų125114.6 Ų114.677%0.76763%0.625SS**G310 helixtrans-66.3-20.5174.154.30000113.6S9 Y13S9-T11 WeakPolarHBondContact CB-OG1 3.5Å; S9-T11 PolarHBondContact O-N 3.34Å; S9-T11 PolarHBondContact OG-N 3.42Å; S9-T11 PolarHBondContact OG-OG1 2.94Å; T11-Y13 PolarHBondContact O-N 2.84Å
12E52.2Low59.5Low124 Ų124108.1 Ų108.158%0.57959%0.594SS**G310 helixtrans-70-14.2170.3-77.7177.216900113K8 S9 V10K8-E12 VanDerWaalsContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CA-OE2 3.47Å; S9-E12 WeakPolarHBondContact O-CB 3.46Å; S9-E12 PolarHBondContact O-N 2.75Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.45Å; S9-E12 VanDerWaalsContact OG-N 3.09Å; V10-E12 PolarHBondContact O-N 2.9Å
13Y53Low61.4Low148 Ų148106.7 Ų106.758%0.5858%0.579SS**G310 helixtrans-120.17.7-175-69.3-76.6000115.6K8 V10 T11 N18K8-Y13 HydrophobicContact CB-CE2 4.18Å; K8-Y13 HydrophobicContact CD-CE2 4.16Å; V10-Y13 PolarHBondContact O-N 2.89Å; T11-Y13 PolarHBondContact O-N 2.84Å; Y13-N18 PolarHBondContact O-ND2 3.46Å; Y13-N18 VanDerWaalsContact O-ND2 3.13Å
14G51.8Low63.2Low43 Ų43106 Ų10644%0.44357%0.572SS.*  trans104.8-167.2166.800000116.5
15S55.4Low64.8Low70 Ų70105 Ų10549%0.4956%0.559SS.*  trans-71.5168.3-165.1600000114.3E17 N18S15-E17 PolarHBondContact O-N 3.15Å; S15-E17 VanDerWaalsContact O-N 3.17Å; S15-N18 WeakPolarHBondContact O-CB 3.46Å; S15-N18 PolarHBondContact O-N 2.9Å
16T60.6Low66.4Low129 Ų129104.7 Ų104.779%0.79155%0.553SS**THydrogen-bonded Turntrans-54.4-29.8173.543.40000113.5N18 A19T16-N18 PolarHBondContact O-N 3.42Å; T16-A19 VanDerWaalsContact O-CB 3.23Å; T16-A19 WeakPolarHBondContact O-CB 3.33Å; T16-A19 PolarHBondContact O-N 3.17Å
17E59.7Low68.3Low120 Ų120100.1 Ų100.156%0.56152%0.521SS*.Hα-helixtrans-60.2-28.9174-163.4-167.5149.900112.5S15 A19 K21S15-E17 PolarHBondContact O-N 3.15Å; S15-E17 VanDerWaalsContact O-N 3.17Å; E17-A19 VanDerWaalsContact C-N 3.3Å; E17-K21 IonicContact OE1-NZ 3.62Å; E17-K21 PolarHBondContact OE1-NZ 2.91Å
18N74.4Confident70.5Confident71 Ų7197.9 Ų97.938%0.3852%0.516SS..Hα-helixtrans-74.9-20.2175.2-70-17.2000112.4Y13 S15 T16 L22Y13-N18 PolarHBondContact O-ND2 3.46Å; Y13-N18 VanDerWaalsContact O-ND2 3.13Å; S15-N18 WeakPolarHBondContact O-CB 3.46Å; S15-N18 PolarHBondContact O-N 2.9Å; T16-N18 PolarHBondContact O-N 3.42Å; N18-L22 WeakPolarHBondContact O-CB 3.22Å; N18-L22 PolarHBondContact O-N 3.33Å
19A75.6Confident72.6Confident56 Ų5696.5 Ų96.546%0.46351%0.512SS..Hα-helixtrans-66.9-47.1-177.200000111.8T16 E17 L22 H23T16-A19 VanDerWaalsContact O-CB 3.23Å; T16-A19 WeakPolarHBondContact O-CB 3.33Å; T16-A19 PolarHBondContact O-N 3.17Å; E17-A19 VanDerWaalsContact C-N 3.3Å; A19-L22 PolarHBondContact O-N 2.92Å; A19-H23 WeakPolarHBondContact O-CB 3.24Å; A19-H23 PolarHBondContact O-N 3.22Å
20D78.1Confident74.8Confident131 Ų13196.8 Ų96.870%0.70151%0.514SS*.Hα-helixtrans-66.9-42.2178.5-68.6-16.2000111.5L22 H23 Q24D20-L22 VanDerWaalsContact C-N 3.31Å; D20-L22 PolarHBondContact O-N 2.73Å; D20-H23 PolarHBondContact O-N 2.81Å; D20-Q24 WeakPolarHBondContact O-CB 3.14Å; D20-Q24 PolarHBondContact O-N 2.76Å
21K86.4Confident76.8Confident121 Ų12194.7 Ų94.753%0.52650%0.499SS..Hα-helixtrans-62-40.1175.4-68.5177.9-171.3164.60111.3E17 Y25E17-K21 IonicContact OE1-NZ 3.62Å; E17-K21 PolarHBondContact OE1-NZ 2.91Å; K21-Y25 WeakPolarHBondContact O-CB 3.08Å; K21-Y25 PolarHBondContact O-N 2.98Å
22L85.1Confident78.9Confident104 Ų10498.8 Ų98.855%0.54550%0.501SS..Hα-helixtrans-68-43.7176.618061.5000111.4N18 A19 D20 Y25 I26N18-L22 WeakPolarHBondContact O-CB 3.22Å; N18-L22 PolarHBondContact O-N 3.33Å; A19-L22 PolarHBondContact O-N 2.92Å; D20-L22 VanDerWaalsContact C-N 3.31Å; D20-L22 PolarHBondContact O-N 2.73Å; L22-Y25 WeakPolarHBondContact O-CB 3.4Å; L22-Y25 PolarHBondContact O-N 3.11Å; L22-I26 HydrophobicContact CD1-CD1 4.48Å; L22-I26 HydrophobicContact CG-CD1 4.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.03Å
23H85.1Confident81Confident92 Ų9294.8 Ų94.843%0.42648%0.483SS..Hα-helixtrans-58.6-49.2174.6-17984.7000110.8A19 D20 Y25 I26 C27A19-H23 WeakPolarHBondContact O-CB 3.24Å; A19-H23 PolarHBondContact O-N 3.22Å; D20-H23 PolarHBondContact O-N 2.81Å; H23-Y25 VanDerWaalsContact C-N 3.28Å; H23-Y25 PolarHBondContact O-N 3.27Å; H23-I26 PolarHBondContact O-N 3.28Å; H23-C27 PolarHBondContact NE2-SG 2.7Å; H23-C27 PolarHBondContact O-N 3.05Å; H23-C27 PolarHBondContact O-SG 3.42Å
24Q88Confident83.1Confident103 Ų10389.2 Ų89.248%0.48147%0.466SS..Hα-helixtrans-61.1-38.3176.5-170.362.958.500111.9D20 C27 N28D20-Q24 WeakPolarHBondContact O-CB 3.14Å; D20-Q24 PolarHBondContact O-N 2.76Å; Q24-C27 PolarHBondContact O-N 3.05Å; Q24-N28 PolarHBondContact NE2-OD1 3.4Å; Q24-N28 VanDerWaalsContact O-CB 3.29Å; Q24-N28 WeakPolarHBondContact O-CB 3.11Å; Q24-N28 PolarHBondContact O-N 3.09Å; Q24-N28 PolarHBondContact O-ND2 3.01Å; Q24-N28 PolarHBondContact O-OD1 3.46Å
25Y92.7Very high85.3Confident136 Ų13695.3 Ų95.353%0.53348%0.48SS..Hα-helixtrans-60.8-48.5174.4-176-85.9000111.2K21 L22 H23 C27 N28 H29K21-Y25 WeakPolarHBondContact O-CB 3.08Å; K21-Y25 PolarHBondContact O-N 2.98Å; L22-Y25 WeakPolarHBondContact O-CB 3.4Å; L22-Y25 PolarHBondContact O-N 3.11Å; H23-Y25 VanDerWaalsContact C-N 3.28Å; H23-Y25 PolarHBondContact O-N 3.27Å; Y25-C27 VanDerWaalsContact C-N 3.35Å; Y25-C27 PolarHBondContact O-N 2.91Å; Y25-N28 PolarHBondContact O-N 2.75Å; Y25-H29 AromaticContact CD1-ND1 3.76Å; Y25-H29 AromaticContact CD2-CE1 3.34Å; Y25-H29 WeakPolarHBondContact CD2-CE1 3.21Å; Y25-H29 AromaticContact CD2-ND1 3.61Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CE2-CE1 3.11Å; Y25-H29 WeakPolarHBondContact CE2-CE1 3.37Å; Y25-H29 AromaticContact CE2-ND1 3.6Å; Y25-H29 AromaticContact CE2-NE2 3.6Å; Y25-H29 AromaticContact CG-CE1 3.92Å; Y25-H29 AromaticContact CG-ND1 3.69Å; Y25-H29 AromaticContact CZ-CE1 3.5Å; Y25-H29 AromaticContact CZ-CG 3.97Å; Y25-H29 AromaticContact CZ-ND1 3.65Å; Y25-H29 AromaticContact CZ-NE2 3.73Å; Y25-H29 WeakPolarHBondContact O-CB 3.34Å; Y25-H29 PolarHBondContact O-N 3.04Å; Y25-H29 PolarHBondContact O-ND1 3.31Å
26I91.3Very high87.4Confident65 Ų6592 Ų9233%0.33346%0.458SS..Hα-helixtrans-58.4-48.2177.1-67162.9000110.4L22 H23 N28 H29 S30 I57L22-I26 HydrophobicContact CD1-CD1 4.48Å; L22-I26 HydrophobicContact CG-CD1 4.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.03Å; H23-I26 PolarHBondContact O-N 3.28Å; I26-N28 PolarHBondContact O-N 3.31Å; I26-H29 PolarHBondContact O-N 2.67Å; I26-S30 PolarHBondContact O-N 3.11Å; I26-S30 PolarHBondContact O-OG 3Å; I26-I57 HydrophobicContact CB-CD1 4.42Å; I26-I57 HydrophobicContact CG2-CD1 3.74Å; I26-I57 HydrophobicContact CG2-CG1 4.23Å; I26-I57 HydrophobicContact CG2-CG2 4.49Å
27C92.3Very high89.2Confident21 Ų2186.7 Ų86.714%0.14242%0.424CS..Hα-helixtrans-58.2-48177.7-71.90000111.6H23 Q24 Y25 H29 L31H23-C27 PolarHBondContact NE2-SG 2.7Å; H23-C27 PolarHBondContact O-N 3.05Å; H23-C27 PolarHBondContact O-SG 3.42Å; Q24-C27 PolarHBondContact O-N 3.05Å; Y25-C27 VanDerWaalsContact C-N 3.35Å; Y25-C27 PolarHBondContact O-N 2.91Å; C27-H29 VanDerWaalsContact C-N 3.29Å; C27-H29 PolarHBondContact O-N 3.11Å; C27-L31 HydrophobicContact CB-CB 4.44Å; C27-L31 HydrophobicContact CB-CD2 4.47Å; C27-L31 WeakPolarHBondContact O-CB 3.47Å; C27-L31 PolarHBondContact O-N 3.5Å
28N95Very high91Very high112 Ų11287 Ų8760%0.59942%0.423SS*.Hα-helixtrans-64.8-29.4-179.1-72.5-8.7000113.8Q24 Y25 I26Q24-N28 PolarHBondContact NE2-OD1 3.4Å; Q24-N28 VanDerWaalsContact O-CB 3.29Å; Q24-N28 WeakPolarHBondContact O-CB 3.11Å; Q24-N28 PolarHBondContact O-N 3.09Å; Q24-N28 PolarHBondContact O-ND2 3.01Å; Q24-N28 PolarHBondContact O-OD1 3.46Å; Y25-N28 PolarHBondContact O-N 2.75Å; I26-N28 PolarHBondContact O-N 3.31Å
29H95.9Very high92.1Very high122 Ų12286.6 Ų86.657%0.56542%0.416SS*.Hα-helixtrans-101-10.3-173.7-67.681.4000114Y25 I26 C27Y25-H29 AromaticContact CD1-ND1 3.76Å; Y25-H29 AromaticContact CD2-CE1 3.34Å; Y25-H29 WeakPolarHBondContact CD2-CE1 3.21Å; Y25-H29 AromaticContact CD2-ND1 3.61Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CE2-CE1 3.11Å; Y25-H29 WeakPolarHBondContact CE2-CE1 3.37Å; Y25-H29 AromaticContact CE2-ND1 3.6Å; Y25-H29 AromaticContact CE2-NE2 3.6Å; Y25-H29 AromaticContact CG-CE1 3.92Å; Y25-H29 AromaticContact CG-ND1 3.69Å; Y25-H29 AromaticContact CZ-CE1 3.5Å; Y25-H29 AromaticContact CZ-CG 3.97Å; Y25-H29 AromaticContact CZ-ND1 3.65Å; Y25-H29 AromaticContact CZ-NE2 3.73Å; Y25-H29 WeakPolarHBondContact O-CB 3.34Å; Y25-H29 PolarHBondContact O-N 3.04Å; Y25-H29 PolarHBondContact O-ND1 3.31Å; I26-H29 PolarHBondContact O-N 2.67Å; C27-H29 VanDerWaalsContact C-N 3.29Å; C27-H29 PolarHBondContact O-N 3.11Å
30S93.2Very high93.2Very high49 Ų4984 Ų8434%0.34339%0.394SS..Hα-helixtrans-139.9-33.6-17469.90000115.1I26 R32 Q60I26-S30 PolarHBondContact O-N 3.11Å; I26-S30 PolarHBondContact O-OG 3Å; S30-R32 PolarHBondContact O-N 3.03Å; S30-Q60 PolarHBondContact O-NE2 2.87Å; S30-Q60 PolarHBondContact O-OE1 3.12Å
31L94.8Very high94Very high46 Ų4679.2 Ų79.224%0.24137%0.369CS..  trans-74.8125.6-167.5-172.465.8000111.5C27 L33 Q60C27-L31 HydrophobicContact CB-CB 4.44Å; C27-L31 HydrophobicContact CB-CD2 4.47Å; C27-L31 WeakPolarHBondContact O-CB 3.47Å; C27-L31 PolarHBondContact O-N 3.5Å; L31-L33 HydrophobicContact CD1-CD2 4.09Å; L31-L33 HydrophobicContact CD1-CG 4.26Å; L31-L33 HydrophobicContact CD2-CD1 4.09Å; L31-L33 HydrophobicContact CD2-CG 4.19Å; L31-L33 HydrophobicContact CG-CD1 4.46Å; L31-L33 HydrophobicContact CG-CD2 4.4Å; L31-L33 HydrophobicContact CG-CG 4.02Å; L31-Q60 HydrophobicContact CD1-CB 4.33Å
32R95.6Very high94.5Very high212 Ų21279.1 Ų79.180%0.837%0.37SS*.  trans-130.780.8-175.2-69.5177.9179.2-117.9-0.5110.1S30S30-R32 PolarHBondContact O-N 3.03Å
33L96.8Very high95Very high39 Ų3976.5 Ų76.520%0.20436%0.355CS..  trans-82.2133.5176.8-60.5173.3000111.6L31 Q37 K38 L41 Y83L31-L33 HydrophobicContact CD1-CD2 4.09Å; L31-L33 HydrophobicContact CD1-CG 4.26Å; L31-L33 HydrophobicContact CD2-CD1 4.09Å; L31-L33 HydrophobicContact CD2-CG 4.19Å; L31-L33 HydrophobicContact CG-CD1 4.46Å; L31-L33 HydrophobicContact CG-CD2 4.4Å; L31-L33 HydrophobicContact CG-CG 4.02Å; L33-Q37 HydrophobicContact CB-CB 4.25Å; L33-Q37 HydrophobicContact CD2-CB 4.22Å; L33-K38 HydrophobicContact CB-CD 4.41Å; L33-K38 HydrophobicContact CB-CG 3.67Å; L33-K38 HydrophobicContact CD1-CG 4.23Å; L33-K38 VanDerWaalsContact O-CE 3.3Å; L33-K38 WeakPolarHBondContact O-CE 3.46Å; L33-L41 HydrophobicContact CD1-CD1 3.63Å; L33-L41 HydrophobicContact CD2-CD1 4.17Å; L33-Y83 WeakPolarHBondContact CD2-OH 3.41Å
34S97.9Very high95.4Very high31 Ų3172.1 Ų72.122%0.21734%0.335CS..  trans-65.8167.4169.989.10000111.4A36 Q37 K38 E90S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 3.33Å; S34-A36 PolarHBondContact OG-N 3.06Å; S34-Q37 PolarHBondContact O-N 2.94Å; S34-Q37 WeakPolarHBondContact OG-CG 3.3Å; S34-Q37 PolarHBondContact OG-N 2.84Å; S34-Q37 VanDerWaalsContact OG-N 3.11Å; S34-K38 WeakPolarHBondContact O-CG 3.29Å; S34-K38 PolarHBondContact O-N 2.83Å; S34-E90 WeakPolarHBondContact CB-OE1 3.44Å; S34-E90 VanDerWaalsContact OG-CD 3.3Å; S34-E90 PolarHBondContact OG-OE1 3.36Å; S34-E90 PolarHBondContact OG-OE2 3.02Å; S34-E90 VanDerWaalsContact OG-OE2 3.12Å
35K98.3Very high95.6Very high171 Ų17170.7 Ų70.774%0.74334%0.337SS*.Hα-helixtrans-60.4-41175.4-175.9-177174.4-174.80111.2W39 M118K35-W39 WeakPolarHBondContact O-CB 3.46Å; K35-W39 PolarHBondContact O-N 3.23Å; K35-M118 HydrophobicContact CD-SD 4.44Å; K35-M118 HydrophobicContact CG-SD 4.11Å
36A98.5Very high95.7Very high2 Ų270.4 Ų70.42%0.01734%0.338CS..Hα-helixtrans-67.8-43.4179.400000111.7S34 K38 W39 L40 L86 M118 A119S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 3.33Å; S34-A36 PolarHBondContact OG-N 3.06Å; A36-K38 PolarHBondContact O-N 3.02Å; A36-W39 PolarHBondContact O-N 3.39Å; A36-L40 WeakPolarHBondContact O-CB 3.1Å; A36-L40 PolarHBondContact O-N 3.18Å; A36-L86 HydrophobicContact CB-CD1 4.28Å; A36-L86 HydrophobicContact CB-CD2 4.23Å; A36-M118 HydrophobicContact CB-CB 4.01Å; A36-M118 HydrophobicContact CB-CG 4.1Å; A36-M118 HydrophobicContact CB-SD 4.31Å; A36-A119 HydrophobicContact CB-CB 3.66Å
37Q98.2Very high95.7Very high17 Ų1768.8 Ų68.88%0.07933%0.329CS..Hα-helixtrans-60.9-45.9175.8-71.7175.7-41.700111.8L33 S34 W39 L40 L41 Y83 L86 S87 E90L33-Q37 HydrophobicContact CB-CB 4.25Å; L33-Q37 HydrophobicContact CD2-CB 4.22Å; S34-Q37 PolarHBondContact O-N 2.94Å; S34-Q37 WeakPolarHBondContact OG-CG 3.3Å; S34-Q37 PolarHBondContact OG-N 2.84Å; S34-Q37 VanDerWaalsContact OG-N 3.11Å; Q37-W39 VanDerWaalsContact C-N 3.34Å; Q37-W39 PolarHBondContact O-N 3.02Å; Q37-L40 PolarHBondContact O-N 2.99Å; Q37-L41 WeakPolarHBondContact O-CB 3.29Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.23Å; Q37-L41 PolarHBondContact O-N 2.61Å; Q37-Y83 HydrophobicContact CB-CE2 4.02Å; Q37-Y83 HydrophobicContact CG-CD2 4.49Å; Q37-Y83 HydrophobicContact CG-CE2 3.92Å; Q37-L86 HydrophobicContact CB-CD2 4.42Å; Q37-L86 HydrophobicContact CG-CD2 3.77Å; Q37-L86 HydrophobicContact CG-CG 4.18Å; Q37-S87 PolarHBondContact NE2-OG 2.82Å; Q37-E90 VanDerWaalsContact CD-OE2 3.23Å; Q37-E90 WeakPolarHBondContact CG-OE2 3.47Å
38K97.5Very high95.5Very high125 Ų12573.4 Ų73.454%0.54336%0.358SS..Hα-helixtrans-59.9-44.8176.6-72175.9-176.4176.30112.1L33 S34 A36 Q42L33-K38 HydrophobicContact CB-CD 4.41Å; L33-K38 HydrophobicContact CB-CG 3.67Å; L33-K38 HydrophobicContact CD1-CG 4.23Å; L33-K38 VanDerWaalsContact O-CE 3.3Å; L33-K38 WeakPolarHBondContact O-CE 3.46Å; S34-K38 WeakPolarHBondContact O-CG 3.29Å; S34-K38 PolarHBondContact O-N 2.83Å; A36-K38 PolarHBondContact O-N 3.02Å; K38-Q42 WeakPolarHBondContact O-CB 3.19Å; K38-Q42 PolarHBondContact O-N 2.91Å
39W98.1Very high95.1Very high64 Ų6472.8 Ų72.824%0.24235%0.353CS..Hα-helixtrans-60.1-49.9176.7175.981.1000110.9K35 A36 Q37 L41 Q42 E43 P114 A115 M118K35-W39 WeakPolarHBondContact O-CB 3.46Å; K35-W39 PolarHBondContact O-N 3.23Å; A36-W39 PolarHBondContact O-N 3.39Å; Q37-W39 VanDerWaalsContact C-N 3.34Å; Q37-W39 PolarHBondContact O-N 3.02Å; W39-L41 PolarHBondContact O-N 2.8Å; W39-Q42 PolarHBondContact O-N 3.29Å; W39-Q42 VanDerWaalsContact O-N 3.16Å; W39-E43 HydrophobicContact CD2-CG 4.07Å; W39-E43 HydrophobicContact CH2-CG 4.05Å; W39-E43 HydrophobicContact CZ2-CG 3.56Å; W39-E43 PolarHBondContact O-N 3.49Å; W39-P114 HydrophobicContact CH2-CB 3.51Å; W39-P114 HydrophobicContact CH2-CG 4.26Å; W39-P114 HydrophobicContact CZ2-CB 4.22Å; W39-P114 HydrophobicContact CZ3-CB 3.91Å; W39-A115 HydrophobicContact CE3-CB 4.02Å; W39-A115 HydrophobicContact CZ3-CB 3.84Å; W39-M118 HydrophobicContact CB-CE 4.06Å; W39-M118 HydrophobicContact CB-SD 3.97Å; W39-M118 HydrophobicContact CD2-CE 3.81Å; W39-M118 HydrophobicContact CE3-CE 4.38Å; W39-M118 HydrophobicContact CG-CE 3.63Å; W39-M118 HydrophobicContact CG-SD 4.22Å
40L97.7Very high94.5Very high0 Ų068.7 Ų68.70%034%0.339CS..Hα-helixtrans-63.2-42.3-177.6179.858.8000112.4A36 Q37 Q42 E43 T44 T81 Y83 L86 Y111 A115A36-L40 WeakPolarHBondContact O-CB 3.1Å; A36-L40 PolarHBondContact O-N 3.18Å; Q37-L40 PolarHBondContact O-N 2.99Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.17Å; L40-E43 PolarHBondContact O-N 2.78Å; L40-T44 VanDerWaalsContact O-CB 3.29Å; L40-T44 WeakPolarHBondContact O-CB 3.19Å; L40-T44 PolarHBondContact O-N 2.64Å; L40-T44 PolarHBondContact O-OG1 3.07Å; L40-T81 WeakPolarHBondContact CD1-O 3.47Å; L40-Y83 HydrophobicContact CD2-CD2 4.46Å; L40-L86 HydrophobicContact CB-CD2 4.47Å; L40-L86 HydrophobicContact CD2-CD2 3.9Å; L40-Y111 HydrophobicContact CD1-CD1 4.26Å; L40-A115 HydrophobicContact CB-CB 4Å; L40-A115 HydrophobicContact CD1-CB 4.2Å; L40-A115 HydrophobicContact CD2-CB 3.91Å; L40-A115 HydrophobicContact CG-CB 4.26Å
41L96Very high93.8Very high31 Ų3174.3 Ų74.316%0.16236%0.364CS..Hα-helixtrans-62.7-40.2175.8-69.9168.5000111.4L33 Q37 W39 S45 L53 Y83L33-L41 HydrophobicContact CD1-CD1 3.63Å; L33-L41 HydrophobicContact CD2-CD1 4.17Å; Q37-L41 WeakPolarHBondContact O-CB 3.29Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.23Å; Q37-L41 PolarHBondContact O-N 2.61Å; W39-L41 PolarHBondContact O-N 2.8Å; L41-S45 WeakPolarHBondContact O-CB 3.47Å; L41-S45 PolarHBondContact O-N 3.08Å; L41-L53 HydrophobicContact CD2-CD1 3.76Å; L41-Y83 HydrophobicContact CD1-CE2 4.07Å; L41-Y83 HydrophobicContact CD2-CD1 4.1Å; L41-Y83 HydrophobicContact CD2-CD2 4.2Å; L41-Y83 HydrophobicContact CD2-CE1 4.01Å; L41-Y83 HydrophobicContact CD2-CE2 4.13Å; L41-Y83 HydrophobicContact CD2-CG 4.21Å; L41-Y83 HydrophobicContact CG-CD2 4.34Å; L41-Y83 HydrophobicContact CG-CE2 4.1Å
42Q95.9Very high93.1Very high119 Ų11976.7 Ų76.756%0.55638%0.375SS*.Hα-helixtrans-66.7-42.5176.8-176.2177.78.200112.1K38 W39 L40 S45K38-Q42 WeakPolarHBondContact O-CB 3.19Å; K38-Q42 PolarHBondContact O-N 2.91Å; W39-Q42 PolarHBondContact O-N 3.29Å; W39-Q42 VanDerWaalsContact O-N 3.16Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.17Å; Q42-S45 PolarHBondContact O-OG 3.49Å
43E96.4Very high92.7Very high49 Ų4968.6 Ų68.623%0.22935%0.347CS..Hα-helixtrans-67.6-45176.2-66-48125.700111.2W39 L40 S45 K46 Y111W39-E43 HydrophobicContact CD2-CG 4.07Å; W39-E43 HydrophobicContact CH2-CG 4.05Å; W39-E43 HydrophobicContact CZ2-CG 3.56Å; W39-E43 PolarHBondContact O-N 3.49Å; L40-E43 PolarHBondContact O-N 2.78Å; E43-S45 VanDerWaalsContact C-N 3.27Å; E43-S45 PolarHBondContact O-N 3.47Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.18Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 IonicContact OE1-NZ 2.79Å; E43-K46 PolarHBondContact OE1-NZ 2.87Å; E43-K46 IonicContact OE2-NZ 2.77Å; E43-K46 PolarHBondContact OE2-NZ 2.87Å; E43-Y111 HydrophobicContact CB-CD1 4.12Å; E43-Y111 HydrophobicContact CB-CE1 4.01Å
44T93.9Very high92.3Very high0 Ų067.2 Ų67.20%034%0.34CS..Hα-helixtrans-62-35.2178.1-53.20000111.5L40 K46 H47 S50 L53 Y80 T81L40-T44 VanDerWaalsContact O-CB 3.29Å; L40-T44 WeakPolarHBondContact O-CB 3.19Å; L40-T44 PolarHBondContact O-N 2.64Å; L40-T44 PolarHBondContact O-OG1 3.07Å; T44-K46 PolarHBondContact O-N 2.77Å; T44-H47 WeakPolarHBondContact O-CB 3.35Å; T44-H47 PolarHBondContact O-N 3.35Å; T44-S50 VanDerWaalsContact O-CB 3.23Å; T44-S50 WeakPolarHBondContact O-CB 3.26Å; T44-L53 HydrophobicContact CG2-CD1 3.53Å; T44-L53 HydrophobicContact CG2-CD2 3.94Å; T44-L53 HydrophobicContact CG2-CG 3.67Å; T44-Y80 HydrophobicContact CG2-CE1 3.86Å; T44-T81 HydrophobicContact CG2-CG2 3.84Å; T44-T81 WeakPolarHBondContact OG1-CB 3.4Å; T44-T81 PolarHBondContact OG1-OG1 2.79Å
45S92.8Very high92Very high74 Ų7467.5 Ų67.552%0.51734%0.342SS..THydrogen-bonded Turntrans-61.6-18177.574.10000114.5L41 Q42 E43 H47L41-S45 WeakPolarHBondContact O-CB 3.47Å; L41-S45 PolarHBondContact O-N 3.08Å; Q42-S45 PolarHBondContact O-OG 3.49Å; E43-S45 VanDerWaalsContact C-N 3.27Å; E43-S45 PolarHBondContact O-N 3.47Å; S45-H47 VanDerWaalsContact C-N 3.34Å
46K93.7Very high91.8Very high130 Ų13060.5 Ų60.557%0.56531%0.314SS*.THydrogen-bonded Turntrans-83.5-15.4175.3-55.6170.3-164.11680111.9E43 T44E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.18Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 IonicContact OE1-NZ 2.79Å; E43-K46 PolarHBondContact OE1-NZ 2.87Å; E43-K46 IonicContact OE2-NZ 2.77Å; E43-K46 PolarHBondContact OE2-NZ 2.87Å; T44-K46 PolarHBondContact O-N 2.77Å
47H90.8Very high91.6Very high31 Ų3162.1 Ų62.114%0.14432%0.323CS..SBendtrans-78.6139.5-179.3-166.8-93.8000110.8T44 S45 M49 S50 Y80 Y107T44-H47 WeakPolarHBondContact O-CB 3.35Å; T44-H47 PolarHBondContact O-N 3.35Å; S45-H47 VanDerWaalsContact C-N 3.34Å; H47-M49 PolarHBondContact ND1-N 3Å; H47-M49 VanDerWaalsContact ND1-N 3.14Å; H47-M49 PolarHBondContact O-N 2.98Å; H47-M49 VanDerWaalsContact O-N 3.16Å; H47-S50 VanDerWaalsContact O-CB 3.27Å; H47-S50 WeakPolarHBondContact O-CB 3.23Å; H47-S50 PolarHBondContact O-N 2.97Å; H47-S50 PolarHBondContact O-OG 3.22Å; H47-Y80 PolarHBondContact ND1-OH 2.85Å; H47-Y107 AromaticContact CE1-CE1 3.94Å; H47-Y107 AromaticContact NE2-CE1 3.68Å
48P89.5Confident91.5Very high117 Ų11761.5 Ų61.576%0.7632%0.319SS*.THydrogen-bonded Turntrans-57-31.7179.5-27.135.3000114.3S50P48-S50 VanDerWaalsContact C-N 3.35Å
49M86.5Confident91.5Very high99 Ų9955.5 Ų55.549%0.48829%0.294SS..THydrogen-bonded Turntrans-93.321.1178.8-60.3-62.5-65.500113.9H47 L51 M52 Y80H47-M49 PolarHBondContact ND1-N 3Å; H47-M49 VanDerWaalsContact ND1-N 3.14Å; H47-M49 PolarHBondContact O-N 2.98Å; H47-M49 VanDerWaalsContact O-N 3.16Å; M49-L51 PolarHBondContact O-N 3.18Å; M49-M52 HydrophobicContact CB-CG 4.36Å; M49-M52 HydrophobicContact CB-SD 3.9Å; M49-M52 HydrophobicContact CE-CG 4.08Å; M49-M52 HydrophobicContact CE-SD 3.58Å; M49-M52 VanDerWaalsContact CE-SD 3.58Å; M49-M52 HydrophobicContact CG-SD 4.49Å; M49-M52 WeakPolarHBondContact O-CB 3.39Å; M49-M52 WeakPolarHBondContact O-CG 3.18Å; M49-M52 PolarHBondContact O-N 3.09Å; M49-Y80 PolarHBondContact O-OH 3.39Å
50S82.3Confident91.4Very high37 Ų3754.3 Ų54.326%0.25929%0.291SS..G310 helixtrans-55.2-22.2-178.555.70000115.1T44 H47 P48 M52 L53T44-S50 VanDerWaalsContact O-CB 3.23Å; T44-S50 WeakPolarHBondContact O-CB 3.26Å; H47-S50 VanDerWaalsContact O-CB 3.27Å; H47-S50 WeakPolarHBondContact O-CB 3.23Å; H47-S50 PolarHBondContact O-N 2.97Å; H47-S50 PolarHBondContact O-OG 3.22Å; P48-S50 VanDerWaalsContact C-N 3.35Å; S50-M52 PolarHBondContact O-N 2.85Å; S50-L53 PolarHBondContact O-N 3.34Å
51L79.7Confident91.4Very high167 Ų16757.3 Ų57.387%0.87431%0.306SS*.G310 helixtrans-63.8-14.4174.4-66.4173.1000114M49 L53M49-L51 PolarHBondContact O-N 3.18Å; L51-L53 PolarHBondContact O-N 2.88Å
52M80.1Confident91.6Very high95 Ų9555.9 Ų55.947%0.46830%0.299SS..G310 helixtrans-75.5-6.2176.9-68-179.959.900113.8M49 S50 I54 Y80M49-M52 HydrophobicContact CB-CG 4.36Å; M49-M52 HydrophobicContact CB-SD 3.9Å; M49-M52 HydrophobicContact CE-CG 4.08Å; M49-M52 HydrophobicContact CE-SD 3.58Å; M49-M52 VanDerWaalsContact CE-SD 3.58Å; M49-M52 HydrophobicContact CG-SD 4.49Å; M49-M52 WeakPolarHBondContact O-CB 3.39Å; M49-M52 WeakPolarHBondContact O-CG 3.18Å; M49-M52 PolarHBondContact O-N 3.09Å; S50-M52 PolarHBondContact O-N 2.85Å; M52-I54 PolarHBondContact O-N 3.17Å; M52-Y80 HydrophobicContact CB-CD1 3.96Å; M52-Y80 HydrophobicContact CB-CE1 3.81Å; M52-Y80 HydrophobicContact CE-CD2 4.34Å; M52-Y80 HydrophobicContact CE-CG 4.49Å; M52-Y80 HydrophobicContact SD-CE2 4.39Å
53L85.6Confident91.7Very high43 Ų4350.5 Ų50.523%0.22527%0.274CS..SBendtrans-70.5127.7178.3-77.7173.9000111.8L41 T44 S50 L51 Y80 Y83L41-L53 HydrophobicContact CD2-CD1 3.76Å; T44-L53 HydrophobicContact CG2-CD1 3.53Å; T44-L53 HydrophobicContact CG2-CD2 3.94Å; T44-L53 HydrophobicContact CG2-CG 3.67Å; S50-L53 PolarHBondContact O-N 3.34Å; L51-L53 PolarHBondContact O-N 2.88Å; L53-Y80 HydrophobicContact CD2-CD1 4.43Å; L53-Y83 HydrophobicContact CD2-CD1 4.31Å; L53-Y83 HydrophobicContact CD2-CG 4.4Å
54I89.7Confident91.8Very high10 Ų1052.7 Ų52.75%0.05129%0.288CS..PPolyproline II helixtrans-52.9143.5160.3-176.1162.7000111M52 S56 E58 M59 L62 Y83 M152 D180M52-I54 PolarHBondContact O-N 3.17Å; I54-S56 PolarHBondContact O-N 3.45Å; I54-E58 HydrophobicContact CD1-CB 4.03Å; I54-E58 HydrophobicContact CG1-CB 3.91Å; I54-M59 HydrophobicContact CD1-SD 4.43Å; I54-M59 HydrophobicContact CG2-CB 4.39Å; I54-M59 HydrophobicContact CG2-SD 4.13Å; I54-L62 HydrophobicContact CD1-CD1 4.15Å; I54-Y83 HydrophobicContact CG2-CD1 3.87Å; I54-Y83 HydrophobicContact CG2-CE1 4.29Å; I54-M152 HydrophobicContact CD1-CE 3.38Å; I54-D180 HydrophobicContact CD1-CB 4.31Å; I54-D180 WeakPolarHBondContact CG1-OD2 3.35Å
55S91.2Very high92Very high36 Ų3655 Ų5525%0.25230%0.3SS..PPolyproline II helixtrans-58.5137.5177.3-178.80000111.7I57 E58 M59S55-I57 PolarHBondContact O-N 2.91Å; S55-I57 PolarHBondContact OG-N 3.2Å; S55-E58 WeakPolarHBondContact CB-OE2 3.4Å; S55-E58 PolarHBondContact N-OE2 3.49Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-E58 VanDerWaalsContact O-N 3.1Å; S55-M59 PolarHBondContact O-N 3.28Å
56S94.7Very high92.3Very high24 Ų2451.5 Ų51.517%0.16828%0.275CS..Hα-helixtrans-60.2-27173.2-58.60000113.4I54 Q60 Y83I54-S56 PolarHBondContact O-N 3.45Å; S56-Q60 WeakPolarHBondContact O-CB 3.41Å; S56-Q60 PolarHBondContact O-N 3.42Å; S56-Y83 WeakPolarHBondContact CA-OH 3.49Å; S56-Y83 WeakPolarHBondContact CB-OH 3.2Å; S56-Y83 PolarHBondContact OG-OH 3.35Å; S56-Y83 VanDerWaalsContact OG-OH 3.12Å
57I93.8Very high92.5Very high37 Ų3753.1 Ų53.119%0.1928%0.279CS..Hα-helixtrans-70-44.9175.7-65.9169.2000110.2I26 S55 Q60 L61 T221I26-I57 HydrophobicContact CB-CD1 4.42Å; I26-I57 HydrophobicContact CG2-CD1 3.74Å; I26-I57 HydrophobicContact CG2-CG1 4.23Å; I26-I57 HydrophobicContact CG2-CG2 4.49Å; S55-I57 PolarHBondContact O-N 2.91Å; S55-I57 PolarHBondContact OG-N 3.2Å; I57-Q60 PolarHBondContact O-N 3.43Å; I57-L61 PolarHBondContact O-N 2.68Å; I57-T221 HydrophobicContact CG2-CG2 4.43Å
58E95.2Very high92.9Very high3 Ų354.3 Ų54.31%0.01430%0.3CS..Hα-helixtrans-63.9-47.6176.9-68.4171.7132.700110I54 S55 Q60 L61 L62 T221 G222 L225I54-E58 HydrophobicContact CD1-CB 4.03Å; I54-E58 HydrophobicContact CG1-CB 3.91Å; S55-E58 WeakPolarHBondContact CB-OE2 3.4Å; S55-E58 PolarHBondContact N-OE2 3.49Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-E58 VanDerWaalsContact O-N 3.1Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.46Å; E58-L61 WeakPolarHBondContact O-CB 3.47Å; E58-L61 PolarHBondContact O-N 2.99Å; E58-L61 VanDerWaalsContact O-N 3.08Å; E58-L62 WeakPolarHBondContact O-CG 3.29Å; E58-L62 PolarHBondContact O-N 2.89Å; E58-T221 HydrophobicContact CG-CG2 3.43Å; E58-T221 VanDerWaalsContact CG-CG2 3.43Å; E58-G222 VanDerWaalsContact OE1-CA 3.31Å; E58-G222 WeakPolarHBondContact OE1-CA 3.13Å; E58-G222 PolarHBondContact OE1-N 2.99Å; E58-L225 HydrophobicContact CB-CD2 4.46Å; E58-L225 HydrophobicContact CG-CD2 4.41Å
59M97.4Very high93.3Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-62.3-40.6-179.6-16061.7-110.900112.2I54 S55 L61 L62 S63 Y83 S87 I88I54-M59 HydrophobicContact CD1-SD 4.43Å; I54-M59 HydrophobicContact CG2-CB 4.39Å; I54-M59 HydrophobicContact CG2-SD 4.13Å; S55-M59 PolarHBondContact O-N 3.28Å; M59-L61 PolarHBondContact O-N 3.17Å; M59-L62 HydrophobicContact CE-CB 3.77Å; M59-L62 HydrophobicContact CE-CD1 4.3Å; M59-L62 PolarHBondContact O-N 3.12Å; M59-S63 WeakPolarHBondContact O-CB 3.49Å; M59-S63 PolarHBondContact O-N 3.26Å; M59-S63 PolarHBondContact O-OG 3.43Å; M59-Y83 HydrophobicContact CB-CE1 3.82Å; M59-Y83 HydrophobicContact CG-CD1 4.37Å; M59-Y83 HydrophobicContact CG-CE1 3.96Å; M59-S87 WeakPolarHBondContact CG-OG 3.36Å; M59-I88 HydrophobicContact CE-CD1 3.32Å; M59-I88 HydrophobicContact CE-CG1 3.67Å
60Q97.4Very high93.8Very high39 Ų3952.1 Ų52.118%0.18228%0.283CS..Hα-helixtrans-64-39.7174.2-176.1172.5-77.900112.5S30 L31 S56 I57 E58 N64S30-Q60 PolarHBondContact O-NE2 2.87Å; S30-Q60 PolarHBondContact O-OE1 3.12Å; L31-Q60 HydrophobicContact CD1-CB 4.33Å; S56-Q60 WeakPolarHBondContact O-CB 3.41Å; S56-Q60 PolarHBondContact O-N 3.42Å; I57-Q60 PolarHBondContact O-N 3.43Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.46Å; Q60-N64 WeakPolarHBondContact O-CB 3.36Å; Q60-N64 VanDerWaalsContact O-CG 3.27Å; Q60-N64 PolarHBondContact O-N 3.01Å; Q60-N64 PolarHBondContact O-ND2 3.42Å
61L97.5Very high94.6Very high63 Ų6350.5 Ų50.533%0.3327%0.272SS..Hα-helixtrans-58.8-49.5173.4170.763.3000110.6I57 E58 M59 N64 L65 L219 L225 I227I57-L61 PolarHBondContact O-N 2.68Å; E58-L61 WeakPolarHBondContact O-CB 3.47Å; E58-L61 PolarHBondContact O-N 2.99Å; E58-L61 VanDerWaalsContact O-N 3.08Å; M59-L61 PolarHBondContact O-N 3.17Å; L61-N64 WeakPolarHBondContact O-CB 3.32Å; L61-N64 PolarHBondContact O-N 3.5Å; L61-N64 VanDerWaalsContact O-N 3.17Å; L61-L65 HydrophobicContact CD1-CD1 4.44Å; L61-L65 HydrophobicContact CD1-CG 4.35Å; L61-L65 HydrophobicContact CG-CD1 4.34Å; L61-L65 WeakPolarHBondContact O-CG 3.37Å; L61-L65 PolarHBondContact O-N 2.88Å; L61-L219 HydrophobicContact CD2-CD1 4.38Å; L61-L225 HydrophobicContact CD2-CD2 4.19Å; L61-I227 HydrophobicContact CD2-CD1 4.25Å
62L98.5Very high95.5Very high0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-64-42.5-178.9-64.2-179.2000112.3I54 E58 M59 N64 L65 C66 F150 M152 A178 L225I54-L62 HydrophobicContact CD1-CD1 4.15Å; E58-L62 WeakPolarHBondContact O-CG 3.29Å; E58-L62 PolarHBondContact O-N 2.89Å; M59-L62 HydrophobicContact CE-CB 3.77Å; M59-L62 HydrophobicContact CE-CD1 4.3Å; M59-L62 PolarHBondContact O-N 3.12Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.43Å; L62-L65 HydrophobicContact CD2-CD1 4.18Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-L65 VanDerWaalsContact O-N 3.15Å; L62-C66 PolarHBondContact O-N 2.93Å; L62-F150 HydrophobicContact CB-CZ 4.23Å; L62-F150 HydrophobicContact CD1-CZ 4.42Å; L62-F150 HydrophobicContact CD2-CE2 4.33Å; L62-F150 HydrophobicContact CD2-CZ 4.36Å; L62-M152 HydrophobicContact CD1-CE 4.06Å; L62-M152 HydrophobicContact CD1-SD 3.46Å; L62-M152 WeakPolarHBondContact CD1-SD 3.46Å; L62-A178 HydrophobicContact CD1-CB 3.88Å; L62-A178 HydrophobicContact CD2-CB 3.46Å; L62-A178 VanDerWaalsContact CD2-CB 3.46Å; L62-A178 HydrophobicContact CG-CB 4.31Å; L62-L225 HydrophobicContact CD1-CD1 4.36Å; L62-L225 HydrophobicContact CD2-CD2 4.18Å
63S98.5Very high96.4Very high7 Ų746.6 Ų46.65%0.04924%0.242CC..Hα-helixtrans-58.7-42.6171.8-68.20000111.7M59 L65 C66 Y67 S87 V91M59-S63 WeakPolarHBondContact O-CB 3.49Å; M59-S63 PolarHBondContact O-N 3.26Å; M59-S63 PolarHBondContact O-OG 3.43Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 2.88Å; S63-C66 PolarHBondContact O-N 2.82Å; S63-Y67 WeakPolarHBondContact O-CB 3.49Å; S63-Y67 PolarHBondContact O-N 3.44Å; S63-S87 VanDerWaalsContact OG-C 3.27Å; S63-S87 PolarHBondContact OG-O 2.86Å; S63-V91 WeakPolarHBondContact O-CG2 3.23Å
64N98.4Very high97.1Very high94 Ų9444.6 Ų44.650%0.50323%0.232SC..Hα-helixtrans-65.9-34.5175.7-74.8-28.9000112.7Q60 L61 L62 G68Q60-N64 WeakPolarHBondContact O-CB 3.36Å; Q60-N64 VanDerWaalsContact O-CG 3.27Å; Q60-N64 PolarHBondContact O-N 3.01Å; Q60-N64 PolarHBondContact O-ND2 3.42Å; L61-N64 WeakPolarHBondContact O-CB 3.32Å; L61-N64 PolarHBondContact O-N 3.5Å; L61-N64 VanDerWaalsContact O-N 3.17Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.43Å; N64-G68 PolarHBondContact O-N 3.05Å
65L98.6Very high97.5Very high49 Ų4944.2 Ų44.226%0.25723%0.229SC..Hα-helixtrans-65.5-47173.3-69.2174.3000111L61 L62 S63 Y67 G68 I69 I176 I227L61-L65 HydrophobicContact CD1-CD1 4.44Å; L61-L65 HydrophobicContact CD1-CG 4.35Å; L61-L65 HydrophobicContact CG-CD1 4.34Å; L61-L65 WeakPolarHBondContact O-CG 3.37Å; L61-L65 PolarHBondContact O-N 2.88Å; L62-L65 HydrophobicContact CD2-CD1 4.18Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-L65 VanDerWaalsContact O-N 3.15Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 2.88Å; L65-Y67 VanDerWaalsContact C-N 3.32Å; L65-Y67 PolarHBondContact O-N 3.47Å; L65-G68 PolarHBondContact O-N 3.18Å; L65-I69 WeakPolarHBondContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG2 3.43Å; L65-I69 PolarHBondContact O-N 3.41Å; L65-I176 HydrophobicContact CB-CD1 4.22Å; L65-I227 HydrophobicContact CD1-CD1 3.87Å
66C98.8Very high97.9Very high1 Ų142.5 Ų42.51%0.00722%0.218CC..Hα-helixtrans-56.3-46.2174.3-77.80000111.9L62 S63 N70 A71 I88 V91 F150L62-C66 PolarHBondContact O-N 2.93Å; S63-C66 PolarHBondContact O-N 2.82Å; C66-N70 PolarHBondContact O-N 3.32Å; C66-A71 HydrophobicContact CB-CB 3.98Å; C66-A71 WeakPolarHBondContact O-CB 3.32Å; C66-A71 PolarHBondContact O-N 3.19Å; C66-I88 HydrophobicContact CB-CD1 4.37Å; C66-V91 HydrophobicContact CB-CG2 4.1Å; C66-F150 VanDerWaalsContact SG-CD1 3.58Å; C66-F150 WeakPolarHBondContact SG-CD2 3.27Å; C66-F150 WeakPolarHBondContact SG-CG 3.31Å
67Y98.5Very high98Very high163 Ų16341.4 Ų41.464%0.63921%0.21SC*.Hα-helixtrans-60.6-48.7174.9-173.7-95.6000111.5S63 L65 I69 N70 V91S63-Y67 WeakPolarHBondContact O-CB 3.49Å; S63-Y67 PolarHBondContact O-N 3.44Å; L65-Y67 VanDerWaalsContact C-N 3.32Å; L65-Y67 PolarHBondContact O-N 3.47Å; Y67-I69 VanDerWaalsContact C-N 3.32Å; Y67-I69 PolarHBondContact O-N 2.94Å; Y67-N70 PolarHBondContact O-N 2.9Å; Y67-V91 HydrophobicContact CD2-CB 4.46Å
68G98.4Very high98.2Very high56 Ų5640.1 Ų40.158%0.57721%0.206SC*.Hα-helixtrans-64.1-30.9-177.400000114.4N64 L65 N70N64-G68 PolarHBondContact O-N 3.05Å; L65-G68 PolarHBondContact O-N 3.18Å; G68-N70 VanDerWaalsContact C-N 3.33Å
69I98Very high98.3Very high43 Ų4340.1 Ų40.122%0.22121%0.206CC..THydrogen-bonded Turntrans-89.64175.472.2173.6000113.6L65 Y67 A71 D149 I176L65-I69 WeakPolarHBondContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG2 3.43Å; L65-I69 PolarHBondContact O-N 3.41Å; Y67-I69 VanDerWaalsContact C-N 3.32Å; Y67-I69 PolarHBondContact O-N 2.94Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CD1-CB 4.27Å; I69-A71 HydrophobicContact CG1-CB 4Å; I69-A71 PolarHBondContact O-N 2.68Å; I69-D149 HydrophobicContact CD1-CB 4.41Å; I69-I176 HydrophobicContact CD1-CD1 4.04Å; I69-I176 HydrophobicContact CD1-CG1 4.16Å; I69-I176 HydrophobicContact CG2-CD1 3.88Å
70N98.2Very high98.3Very high128 Ų12841.2 Ų41.268%0.68421%0.21SC*.THydrogen-bonded Turntrans52.945.4-171.8-58.8-72.1000112.6C66 Y67 G68C66-N70 PolarHBondContact O-N 3.32Å; Y67-N70 PolarHBondContact O-N 2.9Å; G68-N70 VanDerWaalsContact C-N 3.33Å
71A98.8Very high98.3Very high2 Ų239.4 Ų39.42%0.01720%0.202CC..  trans-57.6140.9178.100000110.9C66 I69 T74 L92 P93 D149C66-A71 HydrophobicContact CB-CB 3.98Å; C66-A71 WeakPolarHBondContact O-CB 3.32Å; C66-A71 PolarHBondContact O-N 3.19Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CD1-CB 4.27Å; I69-A71 HydrophobicContact CG1-CB 4Å; I69-A71 PolarHBondContact O-N 2.68Å; A71-T74 HydrophobicContact CB-CG2 4.05Å; A71-L92 HydrophobicContact CB-CD2 3.81Å; A71-L92 VanDerWaalsContact O-CD2 3.24Å; A71-L92 WeakPolarHBondContact O-CD2 3.42Å; A71-P93 VanDerWaalsContact O-CD 3.22Å; A71-P93 WeakPolarHBondContact O-CD 3.3Å; A71-D149 HydrophobicContact CB-CB 3.77Å
72R98.8Very high98.3Very high124 Ų12436.4 Ų36.447%0.46819%0.186SC..  trans-124.9-41.5176-66.9-173.6179.7-91.6-8.8111.7P93 D95 G96 R97 D149R72-P93 HydrophobicContact CG-CG 3.85Å; R72-D95 VanDerWaalsContact NH1-CG 3.29Å; R72-D95 IonicContact NH1-OD1 2.71Å; R72-D95 PolarHBondContact NH1-OD1 3.13Å; R72-D95 IonicContact NH1-OD2 3.82Å; R72-D95 PolarHBondContact NH1-OD2 3.1Å; R72-G96 CarbonylContact O-C 3.42Å; R72-G96 WeakPolarHBondContact O-CA 3.29Å; R72-R97 PolarHBondContact O-N 2.88Å; R72-D149 WeakPolarHBondContact CA-OD2 3.5Å; R72-D149 PolarHBondContact N-OD2 2.85Å
73K98.8Very high98.3Very high57 Ų5736.6 Ų36.625%0.24819%0.187CC..EExtended strand (participates in β ladder)trans-120.4118.3-177.7-166.3-177.4-175.9171.30109.4E144 F148 D149K73-E144 IonicContact NZ-OE1 3.1Å; K73-E144 PolarHBondContact NZ-OE1 2.84Å; K73-E144 IonicContact NZ-OE2 2.64Å; K73-E144 PolarHBondContact NZ-OE2 2.95Å; K73-F148 HydrophobicContact CB-CD1 4.41Å; K73-F148 HydrophobicContact CD-CD1 4.09Å; K73-F148 HydrophobicContact CD-CE1 4.03Å; K73-F148 HydrophobicContact CD-CG 4.41Å; K73-F148 HydrophobicContact CD-CZ 4.27Å; K73-F148 HydrophobicContact CG-CD1 3.66Å; K73-F148 HydrophobicContact CG-CE1 3.73Å; K73-F148 HydrophobicContact CG-CG 4.35Å; K73-F148 HydrophobicContact CG-CZ 4.45Å; K73-F148 CarbonylContact O-C 3.6Å; K73-D149 PolarHBondContact N-OD2 2.78Å; K73-D149 PolarHBondContact O-N 3.42Å
74T98.9Very high98.3Very high1 Ų136.8 Ų36.81%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-131.5153.8-171.264.90000112A71 I88 L92 R97 V98 L99 F150A71-T74 HydrophobicContact CB-CG2 4.05Å; T74-I88 HydrophobicContact CG2-CG2 3.97Å; T74-L92 HydrophobicContact CG2-CD1 4.19Å; T74-L92 HydrophobicContact CG2-CD2 3.87Å; T74-R97 PolarHBondContact N-O 2.86Å; T74-R97 PolarHBondContact OG1-O 2.7Å; T74-V98 WeakPolarHBondContact OG1-CA 3.4Å; T74-V98 WeakPolarHBondContact OG1-CG2 3.36Å; T74-L99 PolarHBondContact O-N 2.94Å; T74-F150 CarbonylContact C-O 3.57Å; T74-F150 VanDerWaalsContact CA-O 3.24Å; T74-F150 WeakPolarHBondContact CA-O 3.32Å; T74-F150 HydrophobicContact CG2-CB 3.86Å; T74-F150 HydrophobicContact CG2-CD1 4.45Å
75L98.9Very high98.3Very high1 Ų132.3 Ų32.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-108.6141.7173.2-69.4160.8000109.7L99 L136 L139 F148 F150 A151 M152 L170L75-L99 WeakPolarHBondContact CA-O 3.34Å; L75-L99 HydrophobicContact CD2-CB 4.02Å; L75-L99 HydrophobicContact CD2-CD2 3.77Å; L75-L99 HydrophobicContact CD2-CG 3.97Å; L75-L136 HydrophobicContact CD1-CD2 4Å; L75-L136 HydrophobicContact CD2-CD2 4Å; L75-L139 HydrophobicContact CD2-CD1 4.15Å; L75-F148 HydrophobicContact CD1-CB 4.35Å; L75-F148 HydrophobicContact CD1-CD1 3.99Å; L75-F148 HydrophobicContact CD1-CD2 4.18Å; L75-F148 HydrophobicContact CD1-CE1 4.26Å; L75-F148 HydrophobicContact CD1-CE2 4.46Å; L75-F148 HydrophobicContact CD1-CG 3.92Å; L75-F148 HydrophobicContact CD1-CZ 4.48Å; L75-F148 HydrophobicContact CD2-CD1 4.02Å; L75-F148 HydrophobicContact CD2-CE1 3.52Å; L75-F148 HydrophobicContact CD2-CE2 4.44Å; L75-F148 HydrophobicContact CD2-CZ 3.76Å; L75-F148 HydrophobicContact CG-CD1 3.48Å; L75-F148 VanDerWaalsContact CG-CD1 3.48Å; L75-F148 HydrophobicContact CG-CD2 4.48Å; L75-F148 HydrophobicContact CG-CE1 3.55Å; L75-F148 HydrophobicContact CG-CG 3.95Å; L75-F148 HydrophobicContact CG-CZ 4.1Å; L75-F150 PolarHBondContact N-O 2.78Å; L75-A151 HydrophobicContact CB-CB 3.9Å; L75-A151 HydrophobicContact CD1-CB 4.19Å; L75-A151 CarbonylContact O-C 3.17Å; L75-A151 WeakPolarHBondContact O-CA 3.47Å; L75-M152 PolarHBondContact O-N 3.28Å; L75-L170 HydrophobicContact CD1-CB 4.14Å; L75-L170 HydrophobicContact CD1-CD1 3.93Å
76D98.8Very high98.3Very high1 Ų130 Ų301%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-129.5106.4170-174.931.6000108.6S84 S85 V98 L99 L101D76-S84 VanDerWaalsContact CG-OG 3.23Å; D76-S84 WeakPolarHBondContact OD1-CB 3.46Å; D76-S84 PolarHBondContact OD1-OG 3.13Å; D76-S84 PolarHBondContact OD2-OG 2.93Å; D76-S85 WeakPolarHBondContact OD2-CA 3.06Å; D76-S85 VanDerWaalsContact OD2-CB 3.31Å; D76-S85 WeakPolarHBondContact OD2-CB 3.38Å; D76-S85 PolarHBondContact OD2-N 3.46Å; D76-S85 PolarHBondContact OD2-OG 3.05Å; D76-V98 HydrophobicContact CB-CG1 3.93Å; D76-L99 PolarHBondContact N-O 2.83Å; D76-L101 PolarHBondContact O-N 2.81Å
77V98.8Very high98.3Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-103105.3-176.6-1770000108.7L101 A132 L136 M152 D154 A155 Y163V77-L101 HydrophobicContact CG2-CD1 4.34Å; V77-A132 HydrophobicContact CG1-CB 3.69Å; V77-L136 HydrophobicContact CG2-CD1 4.3Å; V77-M152 WeakPolarHBondContact CB-O 3.43Å; V77-M152 PolarHBondContact N-O 2.82Å; V77-D154 CarbonylContact O-C 3.51Å; V77-D154 PolarHBondContact O-N 2.92Å; V77-A155 HydrophobicContact CG1-CB 4.06Å; V77-Y163 HydrophobicContact CG1-CD1 3.97Å; V77-Y163 HydrophobicContact CG1-CD2 4.33Å; V77-Y163 HydrophobicContact CG1-CE1 4.06Å; V77-Y163 HydrophobicContact CG1-CE2 4.41Å; V77-Y163 HydrophobicContact CG1-CG 4.13Å
78G97.9Very high98.3Very high11 Ų1122.4 Ų22.411%0.11312%0.122CC..  trans95.192.6-168.100000110.8L101G78-L101 PolarHBondContact N-O 3.13Å
79V97.4Very high98.3Very high3 Ų319.7 Ų19.72%0.01810%0.095CC..  trans-91-38.2-173-179.20000111T81 G82 A100 D102 W116 F127V79-T81 PolarHBondContact O-N 2.8Å; V79-G82 WeakPolarHBondContact O-CA 3.35Å; V79-G82 PolarHBondContact O-N 3.26Å; V79-A100 HydrophobicContact CG2-CB 3.67Å; V79-D102 WeakPolarHBondContact CA-OD2 3.28Å; V79-D102 HydrophobicContact CB-CB 3.96Å; V79-D102 HydrophobicContact CG2-CB 3.98Å; V79-D102 PolarHBondContact N-OD2 3.34Å; V79-W116 HydrophobicContact CG1-CZ2 4.15Å; V79-F127 HydrophobicContact CB-CE2 4.18Å; V79-F127 HydrophobicContact CG1-CD2 4.37Å; V79-F127 HydrophobicContact CG1-CE2 4.28Å; V79-F127 HydrophobicContact CG2-CD2 4.17Å; V79-F127 HydrophobicContact CG2-CE2 4.03Å
80Y96.5Very high98.3Very high23 Ų2320.6 Ų20.69%0.0910%0.098CC..THydrogen-bonded Turntrans49-120.7-172.6-175.5-137.5000111.1T44 H47 M49 M52 L53 G82 D102 Y107 C112T44-Y80 HydrophobicContact CG2-CE1 3.86Å; H47-Y80 PolarHBondContact ND1-OH 2.85Å; M49-Y80 PolarHBondContact O-OH 3.39Å; M52-Y80 HydrophobicContact CB-CD1 3.96Å; M52-Y80 HydrophobicContact CB-CE1 3.81Å; M52-Y80 HydrophobicContact CE-CD2 4.34Å; M52-Y80 HydrophobicContact CE-CG 4.49Å; M52-Y80 HydrophobicContact SD-CE2 4.39Å; L53-Y80 HydrophobicContact CD2-CD1 4.43Å; Y80-G82 VanDerWaalsContact C-N 3.25Å; Y80-G82 PolarHBondContact O-N 3Å; Y80-D102 PolarHBondContact N-OD2 2.89Å; Y80-Y107 AromaticContact CD2-CD2 3.65Å; Y80-Y107 HydrophobicContact CD2-CD2 3.65Å; Y80-Y107 AromaticContact CD2-CE2 3.49Å; Y80-Y107 HydrophobicContact CD2-CE2 3.49Å; Y80-Y107 VanDerWaalsContact CD2-CE2 3.49Å; Y80-Y107 HydrophobicContact CD2-CG 4.33Å; Y80-Y107 HydrophobicContact CE2-CD1 4.45Å; Y80-Y107 HydrophobicContact CE2-CD2 4.03Å; Y80-Y107 HydrophobicContact CE2-CE1 4.15Å; Y80-Y107 AromaticContact CE2-CE2 3.66Å; Y80-Y107 HydrophobicContact CE2-CE2 3.66Å; Y80-Y107 HydrophobicContact CE2-CG 4.41Å; Y80-Y107 AromaticContact CE2-CZ 3.75Å; Y80-Y107 WeakPolarHBondContact O-CB 3.15Å; Y80-C112 PolarHBondContact O-SG 2.81Å
81T97.1Very high98.3Very high1 Ų116.5 Ų16.51%0.0068%0.078CC..THydrogen-bonded Turntrans-82.22.3176.861.40000114.1L40 T44 V79 Y107 Y111 C112L40-T81 WeakPolarHBondContact CD1-O 3.47Å; T44-T81 HydrophobicContact CG2-CG2 3.84Å; T44-T81 WeakPolarHBondContact OG1-CB 3.4Å; T44-T81 PolarHBondContact OG1-OG1 2.79Å; V79-T81 PolarHBondContact O-N 2.8Å; T81-Y107 HydrophobicContact CG2-CG 4.33Å; T81-Y111 HydrophobicContact CG2-CD1 3.9Å; T81-Y111 HydrophobicContact CG2-CD2 4.26Å; T81-Y111 HydrophobicContact CG2-CE1 4.4Å; T81-Y111 HydrophobicContact CG2-CG 3.83Å; T81-C112 PolarHBondContact O-SG 3.12Å
82G97.6Very high98.3Very high0 Ų016.7 Ų16.70%08%0.079CC..SBendtrans92.416.5169.600000115.4V79 Y80 L86 W116V79-G82 WeakPolarHBondContact O-CA 3.35Å; V79-G82 PolarHBondContact O-N 3.26Å; Y80-G82 VanDerWaalsContact C-N 3.25Å; Y80-G82 PolarHBondContact O-N 3Å; G82-L86 WeakPolarHBondContact O-CB 3.45Å; G82-L86 PolarHBondContact O-N 3.38Å; G82-W116 PolarHBondContact O-NE1 3.45Å
83Y98.3Very high98.3Very high4 Ų412.5 Ų12.52%0.0167%0.067CC..Hα-helixtrans-67.8-41.5-176.2-178.5-128.7000113.1L33 Q37 L40 L41 L53 I54 S56 M59 S87L33-Y83 WeakPolarHBondContact CD2-OH 3.41Å; Q37-Y83 HydrophobicContact CB-CE2 4.02Å; Q37-Y83 HydrophobicContact CG-CD2 4.49Å; Q37-Y83 HydrophobicContact CG-CE2 3.92Å; L40-Y83 HydrophobicContact CD2-CD2 4.46Å; L41-Y83 HydrophobicContact CD1-CE2 4.07Å; L41-Y83 HydrophobicContact CD2-CD1 4.1Å; L41-Y83 HydrophobicContact CD2-CD2 4.2Å; L41-Y83 HydrophobicContact CD2-CE1 4.01Å; L41-Y83 HydrophobicContact CD2-CE2 4.13Å; L41-Y83 HydrophobicContact CD2-CG 4.21Å; L41-Y83 HydrophobicContact CG-CD2 4.34Å; L41-Y83 HydrophobicContact CG-CE2 4.1Å; L53-Y83 HydrophobicContact CD2-CD1 4.31Å; L53-Y83 HydrophobicContact CD2-CG 4.4Å; I54-Y83 HydrophobicContact CG2-CD1 3.87Å; I54-Y83 HydrophobicContact CG2-CE1 4.29Å; S56-Y83 WeakPolarHBondContact CA-OH 3.49Å; S56-Y83 WeakPolarHBondContact CB-OH 3.2Å; S56-Y83 PolarHBondContact OG-OH 3.35Å; S56-Y83 VanDerWaalsContact OG-OH 3.12Å; M59-Y83 HydrophobicContact CB-CE1 3.82Å; M59-Y83 HydrophobicContact CG-CD1 4.37Å; M59-Y83 HydrophobicContact CG-CE1 3.96Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.14Å; Y83-S87 VanDerWaalsContact O-CB 3.28Å; Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 2.98Å; Y83-S87 PolarHBondContact O-OG 3.06Å
84S98Very high98.3Very high10 Ų1015.5 Ų15.57%0.079%0.093CC..Hα-helixtrans-64.1-55.3175.7460000111.3D76 L86 S87 I88D76-S84 VanDerWaalsContact CG-OG 3.23Å; D76-S84 WeakPolarHBondContact OD1-CB 3.46Å; D76-S84 PolarHBondContact OD1-OG 3.13Å; D76-S84 PolarHBondContact OD2-OG 2.93Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 3.12Å; S84-S87 PolarHBondContact O-N 3.05Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-I88 PolarHBondContact O-N 3.32Å
85S98.6Very high98.2Very high0 Ų020.5 Ų20.50%012%0.119CC..Hα-helixtrans-49.7-48.6173.8-80.70000113D76 A89 A100D76-S85 WeakPolarHBondContact OD2-CA 3.06Å; D76-S85 VanDerWaalsContact OD2-CB 3.31Å; D76-S85 WeakPolarHBondContact OD2-CB 3.38Å; D76-S85 PolarHBondContact OD2-N 3.46Å; D76-S85 PolarHBondContact OD2-OG 3.05Å; S85-A89 VanDerWaalsContact O-CB 3.24Å; S85-A89 WeakPolarHBondContact O-CB 3.16Å; S85-A89 PolarHBondContact O-N 2.82Å; S85-A100 VanDerWaalsContact OG-CB 3.23Å; S85-A100 WeakPolarHBondContact OG-CB 2.9Å
86L98.8Very high98.2Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-59-52177.4172.565.2000111.2A36 Q37 L40 G82 S84 I88 A89 E90 A115 A119 V121A36-L86 HydrophobicContact CB-CD1 4.28Å; A36-L86 HydrophobicContact CB-CD2 4.23Å; Q37-L86 HydrophobicContact CB-CD2 4.42Å; Q37-L86 HydrophobicContact CG-CD2 3.77Å; Q37-L86 HydrophobicContact CG-CG 4.18Å; L40-L86 HydrophobicContact CB-CD2 4.47Å; L40-L86 HydrophobicContact CD2-CD2 3.9Å; G82-L86 WeakPolarHBondContact O-CB 3.45Å; G82-L86 PolarHBondContact O-N 3.38Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 3.12Å; L86-I88 VanDerWaalsContact C-N 3.32Å; L86-I88 PolarHBondContact O-N 3.14Å; L86-A89 PolarHBondContact O-N 2.87Å; L86-E90 HydrophobicContact CD1-CG 4.16Å; L86-E90 WeakPolarHBondContact O-CG 3.22Å; L86-E90 PolarHBondContact O-N 2.87Å; L86-A115 HydrophobicContact CD2-CB 4.1Å; L86-A119 HydrophobicContact CD1-CB 3.54Å; L86-V121 HydrophobicContact CD1-CG2 3.94Å
87S98.6Very high98.2Very high1 Ų127.1 Ų27.11%0.00715%0.145CC..Hα-helixtrans-65.9-34.3-173-58.70000112.6Q37 M59 S63 Y83 S84Q37-S87 PolarHBondContact NE2-OG 2.82Å; M59-S87 WeakPolarHBondContact CG-OG 3.36Å; S63-S87 VanDerWaalsContact OG-C 3.27Å; S63-S87 PolarHBondContact OG-O 2.86Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.14Å; Y83-S87 VanDerWaalsContact O-CB 3.28Å; Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 2.98Å; Y83-S87 PolarHBondContact O-OG 3.06Å; S84-S87 PolarHBondContact O-N 3.05Å; S84-S87 VanDerWaalsContact O-N 3.13Å
88I98.8Very high98.2Very high4 Ų427.1 Ų27.12%0.02115%0.145CC..Hα-helixtrans-72.9-48.3172.3-62.4-51.2000110.2M59 C66 T74 S84 L86 E90 V91 L92 V98 F150M59-I88 HydrophobicContact CE-CD1 3.32Å; M59-I88 HydrophobicContact CE-CG1 3.67Å; C66-I88 HydrophobicContact CB-CD1 4.37Å; T74-I88 HydrophobicContact CG2-CG2 3.97Å; S84-I88 PolarHBondContact O-N 3.32Å; L86-I88 VanDerWaalsContact C-N 3.32Å; L86-I88 PolarHBondContact O-N 3.14Å; I88-E90 VanDerWaalsContact C-N 3.25Å; I88-E90 PolarHBondContact O-N 2.83Å; I88-V91 WeakPolarHBondContact O-CG2 3.31Å; I88-V91 PolarHBondContact O-N 2.86Å; I88-L92 HydrophobicContact CG2-CD1 4.21Å; I88-L92 HydrophobicContact CG2-CD2 4.2Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.29Å; I88-L92 PolarHBondContact O-N 2.82Å; I88-V98 HydrophobicContact CB-CG2 4.37Å; I88-V98 HydrophobicContact CG2-CG2 4.05Å; I88-F150 HydrophobicContact CD1-CE1 4.13Å; I88-F150 HydrophobicContact CG1-CE1 4.24Å
89A98.8Very high98.2Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-59.6-32.1-17700000114.2S85 L86 V91 V98 V121 K124 I125S85-A89 VanDerWaalsContact O-CB 3.24Å; S85-A89 WeakPolarHBondContact O-CB 3.16Å; S85-A89 PolarHBondContact O-N 2.82Å; L86-A89 PolarHBondContact O-N 2.87Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.9Å; A89-V98 HydrophobicContact CB-CG2 3.78Å; A89-V121 HydrophobicContact CB-CB 3.85Å; A89-V121 HydrophobicContact CB-CG1 4.38Å; A89-V121 HydrophobicContact CB-CG2 3.86Å; A89-K124 HydrophobicContact CB-CB 4.44Å; A89-K124 PolarHBondContact O-NZ 2.77Å; A89-K124 VanDerWaalsContact O-NZ 3.09Å; A89-I125 HydrophobicContact CB-CD1 3.75Å; A89-I125 HydrophobicContact CB-CG1 3.74Å
90E98.7Very high98.3Very high61 Ų6126.9 Ų26.929%0.28514%0.141SC..THydrogen-bonded Turntrans-65.1-27.2176.7-77.4-172.3126.500113.5S34 Q37 L86 I88 A119 V121S34-E90 WeakPolarHBondContact CB-OE1 3.44Å; S34-E90 VanDerWaalsContact OG-CD 3.3Å; S34-E90 PolarHBondContact OG-OE1 3.36Å; S34-E90 PolarHBondContact OG-OE2 3.02Å; S34-E90 VanDerWaalsContact OG-OE2 3.12Å; Q37-E90 VanDerWaalsContact CD-OE2 3.23Å; Q37-E90 WeakPolarHBondContact CG-OE2 3.47Å; L86-E90 HydrophobicContact CD1-CG 4.16Å; L86-E90 WeakPolarHBondContact O-CG 3.22Å; L86-E90 PolarHBondContact O-N 2.87Å; I88-E90 VanDerWaalsContact C-N 3.25Å; I88-E90 PolarHBondContact O-N 2.83Å; E90-A119 HydrophobicContact CG-CB 4.01Å; E90-A119 WeakPolarHBondContact OE1-CB 3.45Å; E90-V121 HydrophobicContact CG-CG1 4.1Å
91V98.5Very high98.4Very high42 Ų4225.9 Ų25.926%0.25514%0.137SC..THydrogen-bonded Turntrans-98.6-14.9179.9-62.50000114.1S63 C66 Y67 I88 A89S63-V91 WeakPolarHBondContact O-CG2 3.23Å; C66-V91 HydrophobicContact CB-CG2 4.1Å; Y67-V91 HydrophobicContact CD2-CB 4.46Å; I88-V91 WeakPolarHBondContact O-CG2 3.31Å; I88-V91 PolarHBondContact O-N 2.86Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.9Å
92L98.7Very high98.5Very high7 Ų726.6 Ų26.64%0.03714%0.141CC..SBendtrans-68.6153.3175.3-62.7-174.8000111.4A71 T74 I88 R97 V98 K124A71-L92 HydrophobicContact CB-CD2 3.81Å; A71-L92 VanDerWaalsContact O-CD2 3.24Å; A71-L92 WeakPolarHBondContact O-CD2 3.42Å; T74-L92 HydrophobicContact CG2-CD1 4.19Å; T74-L92 HydrophobicContact CG2-CD2 3.87Å; I88-L92 HydrophobicContact CG2-CD1 4.21Å; I88-L92 HydrophobicContact CG2-CD2 4.2Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.29Å; I88-L92 PolarHBondContact O-N 2.82Å; L92-R97 WeakPolarHBondContact CD1-O 3.48Å; L92-V98 HydrophobicContact CD1-CG2 3.74Å; L92-K124 PolarHBondContact O-NZ 3.25Å
93P98.3Very high98.5Very high35 Ų3531.9 Ų31.923%0.22717%0.168CC..  trans-62168.3172.827.6-34.5000112A71 R72 D95 G96 K124A71-P93 VanDerWaalsContact O-CD 3.22Å; A71-P93 WeakPolarHBondContact O-CD 3.3Å; R72-P93 HydrophobicContact CG-CG 3.85Å; P93-D95 WeakPolarHBondContact CB-OD1 3.27Å; P93-D95 WeakPolarHBondContact CG-OD1 3.37Å; P93-D95 PolarHBondContact O-N 2.77Å; P93-G96 PolarHBondContact O-N 3.17Å; P93-K124 WeakPolarHBondContact O-CE 3.35Å; P93-K124 PolarHBondContact O-NZ 2.53Å; P93-K124 VanDerWaalsContact O-NZ 3.11Å
94P97.7Very high98.4Very high121 Ų12133.7 Ų33.779%0.78618%0.179SC*.THydrogen-bonded Turntrans-55.8-32.2-177.8-28.436.6000114.8
95D97.8Very high98.4Very high105 Ų10537.3 Ų37.356%0.56120%0.198SC*.THydrogen-bonded Turntrans-901.717764.5-41.1000113.7R72 P93R72-D95 VanDerWaalsContact NH1-CG 3.29Å; R72-D95 IonicContact NH1-OD1 2.71Å; R72-D95 PolarHBondContact NH1-OD1 3.13Å; R72-D95 IonicContact NH1-OD2 3.82Å; R72-D95 PolarHBondContact NH1-OD2 3.1Å; P93-D95 WeakPolarHBondContact CB-OD1 3.27Å; P93-D95 WeakPolarHBondContact CG-OD1 3.37Å; P93-D95 PolarHBondContact O-N 2.77Å
96G98.7Very high98.3Very high2 Ų243 Ų432%0.02123%0.225CC..  trans-69.6157.7178.700000113.2R72 P93 K124R72-G96 CarbonylContact O-C 3.42Å; R72-G96 WeakPolarHBondContact O-CA 3.29Å; P93-G96 PolarHBondContact O-N 3.17Å; G96-K124 WeakPolarHBondContact O-CB 3.26Å; G96-K124 WeakPolarHBondContact O-CG 3.39Å
97R98.8Very high98.3Very high139 Ų13944.5 Ų44.553%0.52523%0.23SC..EExtended strand (participates in β ladder)trans-135137.2-176.6-69.6-73.1-173158.3-0.4111.7R72 T74 L92 S123 K124R72-R97 PolarHBondContact O-N 2.88Å; T74-R97 PolarHBondContact N-O 2.86Å; T74-R97 PolarHBondContact OG1-O 2.7Å; L92-R97 WeakPolarHBondContact CD1-O 3.48Å; R97-S123 PolarHBondContact NH1-O 2.68Å; R97-K124 CarbonylContact C-O 3.59Å; R97-K124 VanDerWaalsContact CA-O 3.23Å; R97-K124 WeakPolarHBondContact CA-O 3.31Å
98V98.9Very high98.2Very high0 Ų046.1 Ų46.10%024%0.239CC..EExtended strand (participates in β ladder)trans-111.3121.5163.8-172.80000107.1T74 D76 I88 A89 L92 K124 I125 D126T74-V98 WeakPolarHBondContact OG1-CA 3.4Å; T74-V98 WeakPolarHBondContact OG1-CG2 3.36Å; D76-V98 HydrophobicContact CB-CG1 3.93Å; I88-V98 HydrophobicContact CB-CG2 4.37Å; I88-V98 HydrophobicContact CG2-CG2 4.05Å; A89-V98 HydrophobicContact CB-CG2 3.78Å; L92-V98 HydrophobicContact CD1-CG2 3.74Å; V98-K124 PolarHBondContact N-O 3.35Å; V98-I125 HydrophobicContact CB-CG1 4.22Å; V98-I125 HydrophobicContact CG2-CG1 4.38Å; V98-I125 CarbonylContact O-C 3.59Å; V98-I125 WeakPolarHBondContact O-CA 3.34Å; V98-D126 PolarHBondContact O-N 3.19Å
99L98.9Very high98.2Very high10 Ų1053.5 Ų53.55%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-92.5105.9167.6172.855.7000108T74 L75 D76 L101 D126 R128 L139 F148T74-L99 PolarHBondContact O-N 2.94Å; L75-L99 WeakPolarHBondContact CA-O 3.34Å; L75-L99 HydrophobicContact CD2-CB 4.02Å; L75-L99 HydrophobicContact CD2-CD2 3.77Å; L75-L99 HydrophobicContact CD2-CG 3.97Å; D76-L99 PolarHBondContact N-O 2.83Å; L99-L101 HydrophobicContact CD1-CD2 3.73Å; L99-L101 HydrophobicContact CD2-CD2 4.42Å; L99-L101 HydrophobicContact CG-CD2 3.81Å; L99-L101 HydrophobicContact CG-CG 4.39Å; L99-D126 HydrophobicContact CD1-CB 4.27Å; L99-D126 WeakPolarHBondContact CD1-O 3.47Å; L99-R128 HydrophobicContact CD1-CG 3.72Å; L99-R128 VanDerWaalsContact CD1-NE 3.32Å; L99-L139 HydrophobicContact CD2-CD1 3.56Å; L99-L139 HydrophobicContact CD2-CD2 4.06Å; L99-L139 HydrophobicContact CD2-CG 4.37Å; L99-F148 HydrophobicContact CB-CE1 4.23Å; L99-F148 HydrophobicContact CD2-CE1 4.35Å; L99-F148 HydrophobicContact CD2-CZ 4.03Å
100A98.8Very high98.1Very high0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-100.8118.5-171.800000110V79 S85 I125 D126 F127 R128V79-A100 HydrophobicContact CG2-CB 3.67Å; S85-A100 VanDerWaalsContact OG-CB 3.23Å; S85-A100 WeakPolarHBondContact OG-CB 2.9Å; A100-I125 HydrophobicContact CB-CG2 3.84Å; A100-D126 PolarHBondContact N-O 3.31Å; A100-F127 HydrophobicContact CB-CD2 4.29Å; A100-F127 CarbonylContact O-C 3.54Å; A100-F127 WeakPolarHBondContact O-CA 3.25Å; A100-R128 PolarHBondContact O-N 2.79Å
101L98.9Very high98.1Very high1 Ų157.5 Ų57.51%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-117.5122.3-171.3-52.3-175000110.2D76 V77 G78 L99 R128 A132 T135 L136D76-L101 PolarHBondContact O-N 2.81Å; V77-L101 HydrophobicContact CG2-CD1 4.34Å; G78-L101 PolarHBondContact N-O 3.13Å; L99-L101 HydrophobicContact CD1-CD2 3.73Å; L99-L101 HydrophobicContact CD2-CD2 4.42Å; L99-L101 HydrophobicContact CG-CD2 3.81Å; L99-L101 HydrophobicContact CG-CG 4.39Å; L101-R128 HydrophobicContact CD2-CB 3.81Å; L101-R128 HydrophobicContact CD2-CG 4.34Å; L101-A132 HydrophobicContact CB-CB 4.09Å; L101-A132 HydrophobicContact CD1-CB 4.2Å; L101-T135 HydrophobicContact CD1-CG2 4.08Å; L101-T135 HydrophobicContact CD2-CG2 3.62Å; L101-L136 HydrophobicContact CD1-CD2 3.83Å; L101-L136 HydrophobicContact CD1-CG 3.97Å
102D98.4Very high98.1Very high17 Ų1755.6 Ų55.69%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-140.8149175.3-152.2-60.9000111.6V79 Y80 T104 F127 R128 H129 G130V79-D102 WeakPolarHBondContact CA-OD2 3.28Å; V79-D102 HydrophobicContact CB-CB 3.96Å; V79-D102 HydrophobicContact CG2-CB 3.98Å; V79-D102 PolarHBondContact N-OD2 3.34Å; Y80-D102 PolarHBondContact N-OD2 2.89Å; D102-T104 PolarHBondContact O-N 3.31Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.33Å; D102-T104 PolarHBondContact OD1-N 2.95Å; D102-F127 HydrophobicContact CB-CE2 3.71Å; D102-F127 HydrophobicContact CB-CZ 3.91Å; D102-R128 PolarHBondContact N-O 2.89Å; D102-H129 CarbonylContact O-C 3.52Å; D102-H129 WeakPolarHBondContact O-CA 3.36Å; D102-G130 PolarHBondContact O-N 2.51Å
103I97.9Very high98.1Very high111 Ų11157.6 Ų57.657%0.56929%0.29SS*.SBendtrans-75.9-13.1177.3-164.258.6000112.3H129 P131I103-H129 PolarHBondContact O-CD2 3.38Å; I103-H129 PolarHBondContact O-NE2 2.84Å; I103-P131 HydrophobicContact CD1-CB 4.4Å; I103-P131 HydrophobicContact CD1-CG 3.99Å
104T96.5Very high98.1Very high42 Ų4258 Ų5826%0.25829%0.293SS..  trans-136.2148177.1-1780000111.4D102 E106 Y107D102-T104 PolarHBondContact O-N 3.31Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.33Å; D102-T104 PolarHBondContact OD1-N 2.95Å; T104-E106 WeakPolarHBondContact OG1-CB 3.42Å; T104-E106 PolarHBondContact OG1-N 2.82Å; T104-Y107 HydrophobicContact CG2-CD2 4.41Å; T104-Y107 HydrophobicContact CG2-CE2 4.05Å
105D97.3Very high98.1Very high86 Ų8652.2 Ų52.246%0.4626%0.255SS..  trans-102.7817168.2-6.1000113.2Y107 L108 F127D105-Y107 PolarHBondContact O-N 2.86Å; D105-Y107 VanDerWaalsContact O-N 3.08Å; D105-L108 HydrophobicContact CB-CB 4.34Å; D105-L108 HydrophobicContact CB-CD2 4.39Å; D105-L108 WeakPolarHBondContact O-CB 3.24Å; D105-L108 PolarHBondContact O-N 2.83Å; D105-F127 HydrophobicContact CB-CE1 3.96Å; D105-F127 HydrophobicContact CB-CZ 4.26Å
106E97.3Very high98.2Very high120 Ų12047.4 Ų47.456%0.56123%0.229SC*.THydrogen-bonded Turntrans-50-39.7-175.3-177.3-178.3176.500113.1T104T104-E106 WeakPolarHBondContact OG1-CB 3.42Å; T104-E106 PolarHBondContact OG1-N 2.82Å
107Y97.2Very high98.2Very high30 Ų3053 Ų5312%0.11825%0.253CS..THydrogen-bonded Turntrans-92.9-8.7-175.7-46.3-61.3000113.6H47 Y80 T81 T104 D105 K109 Y111 C112H47-Y107 AromaticContact CE1-CE1 3.94Å; H47-Y107 AromaticContact NE2-CE1 3.68Å; Y80-Y107 AromaticContact CD2-CD2 3.65Å; Y80-Y107 HydrophobicContact CD2-CD2 3.65Å; Y80-Y107 AromaticContact CD2-CE2 3.49Å; Y80-Y107 HydrophobicContact CD2-CE2 3.49Å; Y80-Y107 VanDerWaalsContact CD2-CE2 3.49Å; Y80-Y107 HydrophobicContact CD2-CG 4.33Å; Y80-Y107 HydrophobicContact CE2-CD1 4.45Å; Y80-Y107 HydrophobicContact CE2-CD2 4.03Å; Y80-Y107 HydrophobicContact CE2-CE1 4.15Å; Y80-Y107 AromaticContact CE2-CE2 3.66Å; Y80-Y107 HydrophobicContact CE2-CE2 3.66Å; Y80-Y107 HydrophobicContact CE2-CG 4.41Å; Y80-Y107 AromaticContact CE2-CZ 3.75Å; Y80-Y107 WeakPolarHBondContact O-CB 3.15Å; T81-Y107 HydrophobicContact CG2-CG 4.33Å; T104-Y107 HydrophobicContact CG2-CD2 4.41Å; T104-Y107 HydrophobicContact CG2-CE2 4.05Å; D105-Y107 PolarHBondContact O-N 2.86Å; D105-Y107 VanDerWaalsContact O-N 3.08Å; Y107-K109 PolarHBondContact O-N 3.43Å; Y107-Y111 HydrophobicContact CD1-CD2 4.37Å; Y107-Y111 HydrophobicContact CD1-CE2 4.37Å; Y107-Y111 WeakPolarHBondContact O-CB 3.35Å; Y107-Y111 PolarHBondContact O-N 3.31Å; Y107-C112 PolarHBondContact O-N 3.32Å
108L97.9Very high98.2Very high36 Ų3650.3 Ų50.319%0.18825%0.247CC..Iπ-helixtrans-60-47.6-170.3-178.964.9000111.6D105 C112 L113 W116 F127D105-L108 HydrophobicContact CB-CB 4.34Å; D105-L108 HydrophobicContact CB-CD2 4.39Å; D105-L108 WeakPolarHBondContact O-CB 3.24Å; D105-L108 PolarHBondContact O-N 2.83Å; L108-C112 HydrophobicContact CD1-CB 3.92Å; L108-C112 WeakPolarHBondContact O-CB 3.34Å; L108-C112 PolarHBondContact O-N 3.3Å; L108-L113 HydrophobicContact CD1-CD2 4.38Å; L108-L113 HydrophobicContact CD1-CG 4.09Å; L108-L113 HydrophobicContact CG-CD1 4.19Å; L108-L113 HydrophobicContact CG-CG 4.14Å; L108-L113 WeakPolarHBondContact O-CB 3.49Å; L108-L113 WeakPolarHBondContact O-CG 2.99Å; L108-L113 PolarHBondContact O-N 3.46Å; L108-W116 HydrophobicContact CD1-CH2 3.81Å; L108-W116 HydrophobicContact CD1-CZ3 3.77Å; L108-F127 HydrophobicContact CD1-CB 4.25Å; L108-F127 HydrophobicContact CD1-CD1 4.06Å; L108-F127 HydrophobicContact CD1-CD2 4.13Å; L108-F127 HydrophobicContact CD1-CE1 4.45Å; L108-F127 HydrophobicContact CD1-CG 3.87Å; L108-F127 HydrophobicContact CD2-CD1 3.72Å; L108-F127 HydrophobicContact CD2-CE1 3.89Å; L108-F127 HydrophobicContact CD2-CG 4.38Å; L108-F127 HydrophobicContact CG-CD1 4.48Å
109K97.8Very high98.2Very high158 Ų15851.8 Ų51.869%0.68726%0.259SS*.Iπ-helixtrans-71-42.7-173.7-175.2-174.1173.2-169.40112.9Y107 P114Y107-K109 PolarHBondContact O-N 3.43Å; K109-P114 VanDerWaalsContact O-CD 3.24Å; K109-P114 WeakPolarHBondContact O-CD 3.36Å; K109-P114 WeakPolarHBondContact O-CG 3.36Å
110D97.2Very high98.1Very high104 Ų10454.1 Ų54.156%0.55629%0.286SS*.Iπ-helixtrans-97.5-21.1-166.4-63.8-24.9000112.9
111Y98.2Very high98.1Very high42 Ų4254.4 Ų54.417%0.16529%0.288CS..Iπ-helixtrans-118.7-59.2-179.6-61.2-94.4000112.4L40 E43 T81 Y107 P114 A115L40-Y111 HydrophobicContact CD1-CD1 4.26Å; E43-Y111 HydrophobicContact CB-CD1 4.12Å; E43-Y111 HydrophobicContact CB-CE1 4.01Å; T81-Y111 HydrophobicContact CG2-CD1 3.9Å; T81-Y111 HydrophobicContact CG2-CD2 4.26Å; T81-Y111 HydrophobicContact CG2-CE1 4.4Å; T81-Y111 HydrophobicContact CG2-CG 3.83Å; Y107-Y111 HydrophobicContact CD1-CD2 4.37Å; Y107-Y111 HydrophobicContact CD1-CE2 4.37Å; Y107-Y111 WeakPolarHBondContact O-CB 3.35Å; Y107-Y111 PolarHBondContact O-N 3.31Å; Y111-P114 WeakPolarHBondContact O-CD 3.46Å; Y111-A115 WeakPolarHBondContact O-CB 3.23Å; Y111-A115 PolarHBondContact O-N 3.43Å; Y111-A115 VanDerWaalsContact O-N 3.17Å
112C98.5Very high98.1Very high1 Ų158 Ų581%0.00730%0.304CS..Iπ-helixtrans-63.7-61.5-170.8-57.40000112.3Y80 T81 Y107 L108 A115 W116Y80-C112 PolarHBondContact O-SG 2.81Å; T81-C112 PolarHBondContact O-SG 3.12Å; Y107-C112 PolarHBondContact O-N 3.32Å; L108-C112 HydrophobicContact CD1-CB 3.92Å; L108-C112 WeakPolarHBondContact O-CB 3.34Å; L108-C112 PolarHBondContact O-N 3.3Å; C112-A115 PolarHBondContact O-N 2.93Å; C112-A115 VanDerWaalsContact O-N 3.15Å; C112-W116 HydrophobicContact CB-CD2 4.18Å; C112-W116 HydrophobicContact CB-CE3 4.38Å; C112-W116 HydrophobicContact CB-CH2 3.77Å; C112-W116 HydrophobicContact CB-CZ2 3.55Å; C112-W116 HydrophobicContact CB-CZ3 4.19Å; C112-W116 WeakPolarHBondContact O-CB 3.37Å; C112-W116 VanDerWaalsContact O-CD1 3.3Å; C112-W116 PolarHBondContact O-N 3.43Å
113L98.7Very high98.1Very high49 Ų4961.5 Ų61.526%0.25733%0.331SS..Hα-helixtrans-59.3-44-176-68.2173.5000112.7L108 A115 W116 K117 E122L108-L113 HydrophobicContact CD1-CD2 4.38Å; L108-L113 HydrophobicContact CD1-CG 4.09Å; L108-L113 HydrophobicContact CG-CD1 4.19Å; L108-L113 HydrophobicContact CG-CG 4.14Å; L108-L113 WeakPolarHBondContact O-CB 3.49Å; L108-L113 WeakPolarHBondContact O-CG 2.99Å; L108-L113 PolarHBondContact O-N 3.46Å; L113-A115 PolarHBondContact O-N 2.7Å; L113-W116 HydrophobicContact CD2-CE3 3.92Å; L113-W116 HydrophobicContact CD2-CZ3 4.11Å; L113-W116 PolarHBondContact O-N 3.31Å; L113-K117 VanDerWaalsContact O-CB 3.3Å; L113-K117 WeakPolarHBondContact O-CB 3.48Å; L113-K117 VanDerWaalsContact O-CG 3.22Å; L113-K117 WeakPolarHBondContact O-CG 3.44Å; L113-K117 PolarHBondContact O-N 3.15Å; L113-E122 HydrophobicContact CD2-CG 4.43Å
114P98.6Very high98.1Very high43 Ų4357.4 Ų57.428%0.27931%0.309SS..Hα-helixtrans-60.2-42.8174.7-26.736.7000113.3W39 K109 Y111 M118W39-P114 HydrophobicContact CH2-CB 3.51Å; W39-P114 HydrophobicContact CH2-CG 4.26Å; W39-P114 HydrophobicContact CZ2-CB 4.22Å; W39-P114 HydrophobicContact CZ3-CB 3.91Å; K109-P114 VanDerWaalsContact O-CD 3.24Å; K109-P114 WeakPolarHBondContact O-CD 3.36Å; K109-P114 WeakPolarHBondContact O-CG 3.36Å; Y111-P114 WeakPolarHBondContact O-CD 3.46Å; P114-M118 WeakPolarHBondContact O-CB 3.31Å; P114-M118 PolarHBondContact O-N 3.17Å
115A98.7Very high98.3Very high0 Ų056.1 Ų56.10%030%0.3CS..Hα-helixtrans-65.7-46.817800000111.7W39 L40 L86 Y111 C112 L113 K117 M118 A119W39-A115 HydrophobicContact CE3-CB 4.02Å; W39-A115 HydrophobicContact CZ3-CB 3.84Å; L40-A115 HydrophobicContact CB-CB 4Å; L40-A115 HydrophobicContact CD1-CB 4.2Å; L40-A115 HydrophobicContact CD2-CB 3.91Å; L40-A115 HydrophobicContact CG-CB 4.26Å; L86-A115 HydrophobicContact CD2-CB 4.1Å; Y111-A115 WeakPolarHBondContact O-CB 3.23Å; Y111-A115 PolarHBondContact O-N 3.43Å; Y111-A115 VanDerWaalsContact O-N 3.17Å; C112-A115 PolarHBondContact O-N 2.93Å; C112-A115 VanDerWaalsContact O-N 3.15Å; L113-A115 PolarHBondContact O-N 2.7Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 2.86Å; A115-M118 PolarHBondContact O-N 2.93Å; A115-A119 PolarHBondContact O-N 3.48Å
116W98.8Very high98.3Very high4 Ų454.7 Ų54.72%0.01529%0.292CS..Hα-helixtrans-63.3-37.9179.9-57.7-15.7000112V79 G82 L108 C112 L113 G120 V121 E122 I125 F127V79-W116 HydrophobicContact CG1-CZ2 4.15Å; G82-W116 PolarHBondContact O-NE1 3.45Å; L108-W116 HydrophobicContact CD1-CH2 3.81Å; L108-W116 HydrophobicContact CD1-CZ3 3.77Å; C112-W116 HydrophobicContact CB-CD2 4.18Å; C112-W116 HydrophobicContact CB-CE3 4.38Å; C112-W116 HydrophobicContact CB-CH2 3.77Å; C112-W116 HydrophobicContact CB-CZ2 3.55Å; C112-W116 HydrophobicContact CB-CZ3 4.19Å; C112-W116 WeakPolarHBondContact O-CB 3.37Å; C112-W116 VanDerWaalsContact O-CD1 3.3Å; C112-W116 PolarHBondContact O-N 3.43Å; L113-W116 HydrophobicContact CD2-CE3 3.92Å; L113-W116 HydrophobicContact CD2-CZ3 4.11Å; L113-W116 PolarHBondContact O-N 3.31Å; W116-G120 PolarHBondContact O-N 3.48Å; W116-G120 VanDerWaalsContact O-N 3.11Å; W116-V121 HydrophobicContact CB-CG2 4.36Å; W116-V121 PolarHBondContact O-N 2.83Å; W116-E122 HydrophobicContact CB-CB 4.11Å; W116-E122 PolarHBondContact O-N 3.39Å; W116-I125 HydrophobicContact CB-CD1 4.17Å; W116-I125 HydrophobicContact CD2-CB 4.35Å; W116-I125 HydrophobicContact CD2-CD1 3.53Å; W116-I125 HydrophobicContact CD2-CG2 4.26Å; W116-I125 HydrophobicContact CE3-CB 4.17Å; W116-I125 HydrophobicContact CE3-CD1 4.2Å; W116-I125 HydrophobicContact CE3-CG2 4.05Å; W116-I125 HydrophobicContact CG-CD1 3.48Å; W116-I125 VanDerWaalsContact CG-CD1 3.48Å; W116-I125 HydrophobicContact CH2-CG2 3.61Å; W116-I125 HydrophobicContact CZ2-CD1 4.34Å; W116-I125 HydrophobicContact CZ2-CG2 3.79Å; W116-I125 HydrophobicContact CZ3-CB 4.3Å; W116-I125 HydrophobicContact CZ3-CG2 3.74Å; W116-F127 HydrophobicContact CH2-CB 4.11Å; W116-F127 HydrophobicContact CH2-CD2 4.21Å; W116-F127 HydrophobicContact CH2-CG 4.49Å; W116-F127 HydrophobicContact CZ3-CB 4.29Å
117K98.7Very high98.4Very high121 Ų12151 Ų5153%0.52627%0.274SS..Hα-helixtrans-65.5-44.6172-76.6171.9-174.5177.20112.2L113 A115 A119 G120 E122L113-K117 VanDerWaalsContact O-CB 3.3Å; L113-K117 WeakPolarHBondContact O-CB 3.48Å; L113-K117 VanDerWaalsContact O-CG 3.22Å; L113-K117 WeakPolarHBondContact O-CG 3.44Å; L113-K117 PolarHBondContact O-N 3.15Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 2.86Å; K117-A119 PolarHBondContact O-N 2.91Å; K117-G120 PolarHBondContact O-N 3.16Å; K117-E122 WeakPolarHBondContact CE-OE1 3.34Å; K117-E122 WeakPolarHBondContact CE-OE2 3.42Å; K117-E122 HydrophobicContact CG-CB 4.32Å; K117-E122 HydrophobicContact CG-CG 4.49Å; K117-E122 WeakPolarHBondContact CG-OE2 3.09Å; K117-E122 IonicContact NZ-OE1 3.01Å
118M98.7Very high98.5Very high81 Ų8154.1 Ų54.140%0.39929%0.286SS..Hα-helixtrans-60.7-35.9179.3-172.3179.2-56.200112.2K35 A36 W39 P114 A115K35-M118 HydrophobicContact CD-SD 4.44Å; K35-M118 HydrophobicContact CG-SD 4.11Å; A36-M118 HydrophobicContact CB-CB 4.01Å; A36-M118 HydrophobicContact CB-CG 4.1Å; A36-M118 HydrophobicContact CB-SD 4.31Å; W39-M118 HydrophobicContact CB-CE 4.06Å; W39-M118 HydrophobicContact CB-SD 3.97Å; W39-M118 HydrophobicContact CD2-CE 3.81Å; W39-M118 HydrophobicContact CE3-CE 4.38Å; W39-M118 HydrophobicContact CG-CE 3.63Å; W39-M118 HydrophobicContact CG-SD 4.22Å; P114-M118 WeakPolarHBondContact O-CB 3.31Å; P114-M118 PolarHBondContact O-N 3.17Å; A115-M118 PolarHBondContact O-N 2.93Å
119A98.5Very high98.5Very high31 Ų3157.6 Ų57.626%0.25630%0.301SS..Hα-helixtrans-81.9-11174.600000114.1A36 L86 E90 A115 K117 V121A36-A119 HydrophobicContact CB-CB 3.66Å; L86-A119 HydrophobicContact CD1-CB 3.54Å; E90-A119 HydrophobicContact CG-CB 4.01Å; E90-A119 WeakPolarHBondContact OE1-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.48Å; K117-A119 PolarHBondContact O-N 2.91Å; A119-V121 VanDerWaalsContact C-N 3.3Å; A119-V121 HydrophobicContact CB-CG1 4.22Å; A119-V121 HydrophobicContact CB-CG2 3.86Å; A119-V121 PolarHBondContact O-N 3.05Å
120G98.5Very high98.5Very high59 Ų5950.7 Ų50.761%0.60828%0.275SS*.THydrogen-bonded Turntrans68.826.9-175.100000113.7W116 K117W116-G120 PolarHBondContact O-N 3.48Å; W116-G120 VanDerWaalsContact O-N 3.11Å; K117-G120 PolarHBondContact O-N 3.16Å
121V98.7Very high98.5Very high6 Ų648.4 Ų48.44%0.03627%0.266CS..  trans-114.70.9-176.6-58.60000114L86 A89 E90 W116 A119 S123 K124 I125L86-V121 HydrophobicContact CD1-CG2 3.94Å; A89-V121 HydrophobicContact CB-CB 3.85Å; A89-V121 HydrophobicContact CB-CG1 4.38Å; A89-V121 HydrophobicContact CB-CG2 3.86Å; E90-V121 HydrophobicContact CG-CG1 4.1Å; W116-V121 HydrophobicContact CB-CG2 4.36Å; W116-V121 PolarHBondContact O-N 2.83Å; A119-V121 VanDerWaalsContact C-N 3.3Å; A119-V121 HydrophobicContact CB-CG1 4.22Å; A119-V121 HydrophobicContact CB-CG2 3.86Å; A119-V121 PolarHBondContact O-N 3.05Å; V121-S123 PolarHBondContact O-N 2.91Å; V121-S123 VanDerWaalsContact O-N 3.12Å; V121-K124 WeakPolarHBondContact O-CB 3.34Å; V121-K124 PolarHBondContact O-N 3.25Å; V121-I125 HydrophobicContact CG2-CD1 4.05Å
122E98.4Very high98.5Very high76 Ų7646.7 Ų46.736%0.35526%0.26SS..G310 helixtrans-47.9-42.6178.7-178.6-175.7-155.700112.5L113 W116 K117 K124 I125L113-E122 HydrophobicContact CD2-CG 4.43Å; W116-E122 HydrophobicContact CB-CB 4.11Å; W116-E122 PolarHBondContact O-N 3.39Å; K117-E122 WeakPolarHBondContact CE-OE1 3.34Å; K117-E122 WeakPolarHBondContact CE-OE2 3.42Å; K117-E122 HydrophobicContact CG-CB 4.32Å; K117-E122 HydrophobicContact CG-CG 4.49Å; K117-E122 WeakPolarHBondContact CG-OE2 3.09Å; K117-E122 IonicContact NZ-OE1 3.01Å; E122-K124 PolarHBondContact O-N 2.9Å; E122-K124 VanDerWaalsContact O-N 3.17Å; E122-I125 PolarHBondContact O-N 3.05Å; E122-I125 VanDerWaalsContact O-N 3.09Å
123S98.2Very high98.5Very high92 Ų9248.7 Ų48.764%0.64327%0.272SS*.G310 helixtrans-65.6-18.2-179.658.80000114.7R97 V121R97-S123 PolarHBondContact NH1-O 2.68Å; V121-S123 PolarHBondContact O-N 2.91Å; V121-S123 VanDerWaalsContact O-N 3.12Å
124K98.8Very high98.5Very high25 Ų2552 Ų5211%0.10929%0.287CS..G310 helixtrans-85.8-18.3176.5-58.9-172.8-172.4175.10112.4A89 L92 P93 G96 R97 V98 V121 E122A89-K124 HydrophobicContact CB-CB 4.44Å; A89-K124 PolarHBondContact O-NZ 2.77Å; A89-K124 VanDerWaalsContact O-NZ 3.09Å; L92-K124 PolarHBondContact O-NZ 3.25Å; P93-K124 WeakPolarHBondContact O-CE 3.35Å; P93-K124 PolarHBondContact O-NZ 2.53Å; P93-K124 VanDerWaalsContact O-NZ 3.11Å; G96-K124 WeakPolarHBondContact O-CB 3.26Å; G96-K124 WeakPolarHBondContact O-CG 3.39Å; R97-K124 CarbonylContact C-O 3.59Å; R97-K124 VanDerWaalsContact CA-O 3.23Å; R97-K124 WeakPolarHBondContact CA-O 3.31Å; V98-K124 PolarHBondContact N-O 3.35Å; V121-K124 WeakPolarHBondContact O-CB 3.34Å; V121-K124 PolarHBondContact O-N 3.25Å; E122-K124 PolarHBondContact O-N 2.9Å; E122-K124 VanDerWaalsContact O-N 3.17Å
125I98.8Very high98.5Very high14 Ų1451 Ų517%0.07228%0.28CS..EExtended strand (participates in β ladder)trans-103.6115.5-170.9-56.4170.7000109.2A89 V98 A100 W116 V121 E122A89-I125 HydrophobicContact CB-CD1 3.75Å; A89-I125 HydrophobicContact CB-CG1 3.74Å; V98-I125 HydrophobicContact CB-CG1 4.22Å; V98-I125 HydrophobicContact CG2-CG1 4.38Å; V98-I125 CarbonylContact O-C 3.59Å; V98-I125 WeakPolarHBondContact O-CA 3.34Å; A100-I125 HydrophobicContact CB-CG2 3.84Å; W116-I125 HydrophobicContact CB-CD1 4.17Å; W116-I125 HydrophobicContact CD2-CB 4.35Å; W116-I125 HydrophobicContact CD2-CD1 3.53Å; W116-I125 HydrophobicContact CD2-CG2 4.26Å; W116-I125 HydrophobicContact CE3-CB 4.17Å; W116-I125 HydrophobicContact CE3-CD1 4.2Å; W116-I125 HydrophobicContact CE3-CG2 4.05Å; W116-I125 HydrophobicContact CG-CD1 3.48Å; W116-I125 VanDerWaalsContact CG-CD1 3.48Å; W116-I125 HydrophobicContact CH2-CG2 3.61Å; W116-I125 HydrophobicContact CZ2-CD1 4.34Å; W116-I125 HydrophobicContact CZ2-CG2 3.79Å; W116-I125 HydrophobicContact CZ3-CB 4.3Å; W116-I125 HydrophobicContact CZ3-CG2 3.74Å; V121-I125 HydrophobicContact CG2-CD1 4.05Å; E122-I125 PolarHBondContact O-N 3.05Å; E122-I125 VanDerWaalsContact O-N 3.09Å
126D98.7Very high98.5Very high57 Ų5751 Ų5131%0.30528%0.28SS..EExtended strand (participates in β ladder)trans-98100.7172.3177.817.2000108.2V98 L99 A100 R128V98-D126 PolarHBondContact O-N 3.19Å; L99-D126 HydrophobicContact CD1-CB 4.27Å; L99-D126 WeakPolarHBondContact CD1-O 3.47Å; A100-D126 PolarHBondContact N-O 3.31Å; D126-R128 IonicContact OD1-NE 3.34Å; D126-R128 IonicContact OD2-CZ 2.61Å; D126-R128 IonicContact OD2-NE 2.7Å; D126-R128 PolarHBondContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 2.8Å; D126-R128 PolarHBondContact OD2-NH2 3.43Å
127F98.8Very high98.5Very high41 Ų4154 Ų5418%0.1829%0.294CS..EExtended strand (participates in β ladder)trans-85.9129.1177.8179.7-93.6000111V79 A100 D102 D105 L108 W116 H129V79-F127 HydrophobicContact CB-CE2 4.18Å; V79-F127 HydrophobicContact CG1-CD2 4.37Å; V79-F127 HydrophobicContact CG1-CE2 4.28Å; V79-F127 HydrophobicContact CG2-CD2 4.17Å; V79-F127 HydrophobicContact CG2-CE2 4.03Å; A100-F127 HydrophobicContact CB-CD2 4.29Å; A100-F127 CarbonylContact O-C 3.54Å; A100-F127 WeakPolarHBondContact O-CA 3.25Å; D102-F127 HydrophobicContact CB-CE2 3.71Å; D102-F127 HydrophobicContact CB-CZ 3.91Å; D105-F127 HydrophobicContact CB-CE1 3.96Å; D105-F127 HydrophobicContact CB-CZ 4.26Å; L108-F127 HydrophobicContact CD1-CB 4.25Å; L108-F127 HydrophobicContact CD1-CD1 4.06Å; L108-F127 HydrophobicContact CD1-CD2 4.13Å; L108-F127 HydrophobicContact CD1-CE1 4.45Å; L108-F127 HydrophobicContact CD1-CG 3.87Å; L108-F127 HydrophobicContact CD2-CD1 3.72Å; L108-F127 HydrophobicContact CD2-CE1 3.89Å; L108-F127 HydrophobicContact CD2-CG 4.38Å; L108-F127 HydrophobicContact CG-CD1 4.48Å; W116-F127 HydrophobicContact CH2-CB 4.11Å; W116-F127 HydrophobicContact CH2-CD2 4.21Å; W116-F127 HydrophobicContact CH2-CG 4.49Å; W116-F127 HydrophobicContact CZ3-CB 4.29Å; F127-H129 HydrophobicContact CE1-CB 3.95Å
128R98.5Very high98.5Very high96 Ų9652.3 Ų52.336%0.36229%0.291SS..EExtended strand (participates in β ladder)trans-125.9119175.6-55.8-167.4-171.3165.84.2110.7L99 A100 L101 D102 D126L99-R128 HydrophobicContact CD1-CG 3.72Å; L99-R128 VanDerWaalsContact CD1-NE 3.32Å; A100-R128 PolarHBondContact O-N 2.79Å; L101-R128 HydrophobicContact CD2-CB 3.81Å; L101-R128 HydrophobicContact CD2-CG 4.34Å; D102-R128 PolarHBondContact N-O 2.89Å; D126-R128 IonicContact OD1-NE 3.34Å; D126-R128 IonicContact OD2-CZ 2.61Å; D126-R128 IonicContact OD2-NE 2.7Å; D126-R128 PolarHBondContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 2.8Å; D126-R128 PolarHBondContact OD2-NH2 3.43Å
129H98.3Very high98.5Very high109 Ų10949 Ų4951%0.50528%0.275SS..EExtended strand (participates in β ladder)trans-83132176.3176.8-148000110.9D102 I103 F127D102-H129 CarbonylContact O-C 3.52Å; D102-H129 WeakPolarHBondContact O-CA 3.36Å; I103-H129 PolarHBondContact O-CD2 3.38Å; I103-H129 PolarHBondContact O-NE2 2.84Å; F127-H129 HydrophobicContact CE1-CB 3.95Å
130G97.6Very high98.5Very high13 Ų1348.8 Ų48.813%0.13427%0.269CS..SBendtrans138.5-175.7171.700000112.8D102 A132D102-G130 PolarHBondContact O-N 2.51Å; G130-A132 PolarHBondContact O-N 2.83Å; G130-A132 VanDerWaalsContact O-N 3.14Å
131P98.1Very high98.5Very high56 Ų5651 Ų5136%0.36427%0.266SS..  trans-58.2118.8176.6-24.135000111.6I103 V133 E134 T135I103-P131 HydrophobicContact CD1-CB 4.4Å; I103-P131 HydrophobicContact CD1-CG 3.99Å; P131-V133 VanDerWaalsContact C-N 3.26Å; P131-V133 PolarHBondContact O-N 3.42Å; P131-E134 HydrophobicContact CB-CB 4.39Å; P131-E134 HydrophobicContact CB-CG 4.03Å; P131-E134 PolarHBondContact O-N 2.82Å; P131-T135 PolarHBondContact O-N 3.44Å
132A98.5Very high98.5Very high6 Ų656.8 Ų56.85%0.0530%0.297CS..Hα-helixtrans-62-35.8-177.700000111.9V77 L101 G130 E134 T135 L136 Y163V77-A132 HydrophobicContact CG1-CB 3.69Å; L101-A132 HydrophobicContact CB-CB 4.09Å; L101-A132 HydrophobicContact CD1-CB 4.2Å; G130-A132 PolarHBondContact O-N 2.83Å; G130-A132 VanDerWaalsContact O-N 3.14Å; A132-E134 VanDerWaalsContact C-N 3.3Å; A132-E134 PolarHBondContact O-N 3.39Å; A132-T135 PolarHBondContact O-N 2.94Å; A132-L136 WeakPolarHBondContact O-CB 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.26Å; A132-Y163 HydrophobicContact CB-CD1 4.46Å; A132-Y163 HydrophobicContact CB-CE1 3.72Å
133V98.6Very high98.5Very high43 Ų4356 Ų5626%0.26131%0.31SS..Hα-helixtrans-54.7-44.7176.1178.80000111.5P131 L136 Q137 N162 Y163 L166P131-V133 VanDerWaalsContact C-N 3.26Å; P131-V133 PolarHBondContact O-N 3.42Å; V133-L136 PolarHBondContact O-N 3.09Å; V133-Q137 WeakPolarHBondContact O-CB 3.46Å; V133-Q137 PolarHBondContact O-N 3.32Å; V133-N162 HydrophobicContact CG2-CB 4.32Å; V133-Y163 HydrophobicContact CG2-CD1 4.01Å; V133-Y163 HydrophobicContact CG2-CE1 3.43Å; V133-Y163 VanDerWaalsContact CG2-CE1 3.43Å; V133-L166 HydrophobicContact CB-CD1 4.36Å; V133-L166 HydrophobicContact CG1-CD1 3.81Å
134E98.5Very high98.5Very high120 Ų12054.4 Ų54.456%0.56129%0.292SS*.Hα-helixtrans-67.3-44.5179.9-66.4177.4-164.300111.3P131 A132 L136 Q137 N138P131-E134 HydrophobicContact CB-CB 4.39Å; P131-E134 HydrophobicContact CB-CG 4.03Å; P131-E134 PolarHBondContact O-N 2.82Å; A132-E134 VanDerWaalsContact C-N 3.3Å; A132-E134 PolarHBondContact O-N 3.39Å; E134-L136 PolarHBondContact O-N 3.25Å; E134-Q137 PolarHBondContact O-N 3.04Å; E134-N138 WeakPolarHBondContact O-CB 3.38Å; E134-N138 PolarHBondContact O-N 2.69Å; E134-N138 PolarHBondContact O-ND2 2.83Å; E134-N138 VanDerWaalsContact O-ND2 3.16Å
135T98.6Very high98.5Very high22 Ų2255.7 Ų55.714%0.13530%0.304CS..Hα-helixtrans-62.7-43.8177.8-61.90000111.4L101 P131 A132 N138 L139L101-T135 HydrophobicContact CD1-CG2 4.08Å; L101-T135 HydrophobicContact CD2-CG2 3.62Å; P131-T135 PolarHBondContact O-N 3.44Å; A132-T135 PolarHBondContact O-N 2.94Å; T135-N138 PolarHBondContact O-N 3.46Å; T135-L139 WeakPolarHBondContact O-CG 3.22Å; T135-L139 PolarHBondContact O-N 2.92Å
136L98.8Very high98.5Very high0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-64.8-40.9178.4-65.7170.1000111.9L75 V77 L101 A132 V133 E134 L139 I140 Y163 L166 L170L75-L136 HydrophobicContact CD1-CD2 4Å; L75-L136 HydrophobicContact CD2-CD2 4Å; V77-L136 HydrophobicContact CG2-CD1 4.3Å; L101-L136 HydrophobicContact CD1-CD2 3.83Å; L101-L136 HydrophobicContact CD1-CG 3.97Å; A132-L136 WeakPolarHBondContact O-CB 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.26Å; V133-L136 PolarHBondContact O-N 3.09Å; E134-L136 PolarHBondContact O-N 3.25Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 3.2Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.27Å; L136-Y163 HydrophobicContact CD1-CD1 3.99Å; L136-L166 HydrophobicContact CB-CB 3.91Å; L136-L166 HydrophobicContact CB-CD1 3.98Å; L136-L166 HydrophobicContact CB-CG 4.45Å; L136-L166 HydrophobicContact CD1-CB 4.12Å; L136-L166 HydrophobicContact CD1-CD1 4.32Å; L136-L170 HydrophobicContact CB-CD1 4.1Å; L136-L170 HydrophobicContact CD2-CD1 3.55Å; L136-L170 HydrophobicContact CG-CD1 4.42Å
137Q98.7Very high98.5Very high65 Ų6559.4 Ų59.430%0.30432%0.323SS..Hα-helixtrans-64.7-43.8174.9-174.257.759.300111.4V133 E134 L139 I140 D141 L166V133-Q137 WeakPolarHBondContact O-CB 3.46Å; V133-Q137 PolarHBondContact O-N 3.32Å; E134-Q137 PolarHBondContact O-N 3.04Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 3.09Å; Q137-I140 WeakPolarHBondContact O-CB 3.3Å; Q137-I140 PolarHBondContact O-N 3.37Å; Q137-I140 VanDerWaalsContact O-N 3.09Å; Q137-D141 PolarHBondContact NE2-OD1 2.96Å; Q137-D141 PolarHBondContact NE2-OD2 3.21Å; Q137-D141 VanDerWaalsContact O-CG 3.27Å; Q137-D141 PolarHBondContact O-N 2.75Å; Q137-L166 HydrophobicContact CB-CD2 4.44Å
138N98.6Very high98.5Very high87 Ų8757.5 Ų57.547%0.46532%0.315SS..Hα-helixtrans-60-37.1176-74.3-30.4000112.4E134 T135 D141 N142E134-N138 WeakPolarHBondContact O-CB 3.38Å; E134-N138 PolarHBondContact O-N 2.69Å; E134-N138 PolarHBondContact O-ND2 2.83Å; E134-N138 VanDerWaalsContact O-ND2 3.16Å; T135-N138 PolarHBondContact O-N 3.46Å; N138-D141 PolarHBondContact O-N 3.34Å; N138-N142 WeakPolarHBondContact O-CB 3.39Å; N138-N142 PolarHBondContact O-N 3.39Å; N138-N142 PolarHBondContact O-ND2 3.48Å
139L98.8Very high98.5Very high12 Ų1253.9 Ų53.96%0.06330%0.303CS..Hα-helixtrans-60.6-47.9173.8-70.7168.2000110.9L75 L99 T135 L136 Q137 D141 N142 G143 E144 F148 L170L75-L139 HydrophobicContact CD2-CD1 4.15Å; L99-L139 HydrophobicContact CD2-CD1 3.56Å; L99-L139 HydrophobicContact CD2-CD2 4.06Å; L99-L139 HydrophobicContact CD2-CG 4.37Å; T135-L139 WeakPolarHBondContact O-CG 3.22Å; T135-L139 PolarHBondContact O-N 2.92Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 3.2Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 3.09Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.32Å; L139-N142 CarbonylContact O-C 3.34Å; L139-N142 PolarHBondContact O-N 2.9Å; L139-G143 PolarHBondContact O-N 2.83Å; L139-E144 HydrophobicContact CB-CB 3.99Å; L139-E144 HydrophobicContact CD2-CB 4.35Å; L139-E144 HydrophobicContact CD2-CG 4.09Å; L139-E144 VanDerWaalsContact O-CB 3.26Å; L139-E144 WeakPolarHBondContact O-CB 3.24Å; L139-E144 PolarHBondContact O-N 3.09Å; L139-F148 HydrophobicContact CD1-CE2 4.15Å; L139-F148 HydrophobicContact CD1-CZ 3.98Å; L139-F148 HydrophobicContact CD2-CZ 4.48Å; L139-L170 HydrophobicContact CB-CD1 4.33Å; L139-L170 HydrophobicContact CB-CD2 3.69Å; L139-L170 HydrophobicContact CD1-CD1 4.08Å
140I98.7Very high98.5Very high25 Ų2548.7 Ų48.713%0.12828%0.279CS..Hα-helixtrans-58.6-48.2178.3-66165000110.4L136 Q137 N142 G143 L166 K169 L170L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.27Å; Q137-I140 WeakPolarHBondContact O-CB 3.3Å; Q137-I140 PolarHBondContact O-N 3.37Å; Q137-I140 VanDerWaalsContact O-N 3.09Å; I140-N142 PolarHBondContact O-N 3Å; I140-G143 PolarHBondContact O-N 3.06Å; I140-L166 HydrophobicContact CD1-CB 4.4Å; I140-L166 HydrophobicContact CD1-CD2 3.59Å; I140-K169 HydrophobicContact CD1-CB 3.88Å; I140-K169 HydrophobicContact CD1-CD 3.78Å; I140-K169 HydrophobicContact CD1-CG 4.5Å; I140-K169 HydrophobicContact CG1-CB 4.29Å; I140-L170 HydrophobicContact CD1-CG 4.32Å; I140-L170 HydrophobicContact CG1-CD1 4.44Å; I140-L170 HydrophobicContact CG1-CD2 3.63Å; I140-L170 HydrophobicContact CG1-CG 3.81Å
141D98.6Very high98.6Very high105 Ų10548.1 Ų48.156%0.56127%0.272SS*.Hα-helixtrans-64.7-26.3-178-63.4-19.5000112.4Q137 N138 L139Q137-D141 PolarHBondContact NE2-OD1 2.96Å; Q137-D141 PolarHBondContact NE2-OD2 3.21Å; Q137-D141 VanDerWaalsContact O-CG 3.27Å; Q137-D141 PolarHBondContact O-N 2.75Å; N138-D141 PolarHBondContact O-N 3.34Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.32Å
142N98.2Very high98.6Very high129 Ų12945.5 Ų45.569%0.6926%0.255SS*.THydrogen-bonded Turntrans-94.417.1176-70.9-68.5000113.8N138 L139 I140N138-N142 WeakPolarHBondContact O-CB 3.39Å; N138-N142 PolarHBondContact O-N 3.39Å; N138-N142 PolarHBondContact O-ND2 3.48Å; L139-N142 CarbonylContact O-C 3.34Å; L139-N142 PolarHBondContact O-N 2.9Å; I140-N142 PolarHBondContact O-N 3Å
143G97.9Very high98.6Very high60 Ų6045.2 Ų45.262%0.61925%0.253SS*.THydrogen-bonded Turntrans82.117.4170.800000115.3L139 I140 S145L139-G143 PolarHBondContact O-N 2.83Å; I140-G143 PolarHBondContact O-N 3.06Å; G143-S145 PolarHBondContact O-N 3.14Å
144E98.5Very high98.6Very high57 Ų5744.5 Ų44.527%0.26625%0.248SC..  trans-87.416.2177.5-68-80.4-157.900113.4K73 L139 E146 T147 F148 L170K73-E144 IonicContact NZ-OE1 3.1Å; K73-E144 PolarHBondContact NZ-OE1 2.84Å; K73-E144 IonicContact NZ-OE2 2.64Å; K73-E144 PolarHBondContact NZ-OE2 2.95Å; L139-E144 HydrophobicContact CB-CB 3.99Å; L139-E144 HydrophobicContact CD2-CB 4.35Å; L139-E144 HydrophobicContact CD2-CG 4.09Å; L139-E144 VanDerWaalsContact O-CB 3.26Å; L139-E144 WeakPolarHBondContact O-CB 3.24Å; L139-E144 PolarHBondContact O-N 3.09Å; E144-E146 PolarHBondContact O-N 2.83Å; E144-T147 PolarHBondContact O-N 2.84Å; E144-T147 PolarHBondContact O-OG1 3.06Å; E144-T147 VanDerWaalsContact O-OG1 3.05Å; E144-T147 WeakPolarHBondContact OE2-CB 3.37Å; E144-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E144-T147 PolarHBondContact OE2-OG1 3.22Å; E144-F148 HydrophobicContact CB-CE2 4.32Å; E144-L170 HydrophobicContact CB-CD2 4.21Å; E144-L170 VanDerWaalsContact O-CD2 3.29Å; E144-L170 WeakPolarHBondContact O-CD2 3.29Å
145S98.5Very high98.5Very high53 Ų5340 Ų4037%0.37123%0.231SC..THydrogen-bonded Turntrans-62.1136.3174.6-65.50000110.5G143 T147G143-S145 PolarHBondContact O-N 3.14Å; S145-T147 PolarHBondContact O-N 2.88Å
146E98.6Very high98.4Very high97 Ų9742.1 Ų42.145%0.45324%0.242SC..THydrogen-bonded Turntrans5825.5178.7-51.6-160.8141.300115.8E144 K169 L170 R172 K230E144-E146 PolarHBondContact O-N 2.83Å; E146-K169 PolarHBondContact N-O 3.25Å; E146-L170 CarbonylContact C-O 3.59Å; E146-L170 WeakPolarHBondContact CA-O 3.42Å; E146-L170 PolarHBondContact N-O 2.99Å; E146-L170 VanDerWaalsContact N-O 3.12Å; E146-R172 VanDerWaalsContact O-CB 3.26Å; E146-R172 WeakPolarHBondContact O-CB 3.45Å; E146-K230 VanDerWaalsContact OE1-CE 3.31Å; E146-K230 WeakPolarHBondContact OE1-CE 3.37Å; E146-K230 IonicContact OE1-NZ 2.69Å; E146-K230 PolarHBondContact OE1-NZ 3.27Å
147T98.6Very high98.4Very high52 Ų5243 Ų4332%0.31925%0.245SC..  trans-99.5-13.617970.50000114.1E144 S145 L170E144-T147 PolarHBondContact O-N 2.84Å; E144-T147 PolarHBondContact O-OG1 3.06Å; E144-T147 VanDerWaalsContact O-OG1 3.05Å; E144-T147 WeakPolarHBondContact OE2-CB 3.37Å; E144-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E144-T147 PolarHBondContact OE2-OG1 3.22Å; S145-T147 PolarHBondContact O-N 2.88Å; T147-L170 PolarHBondContact N-O 3.07Å
148F98.9Very high98.3Very high1 Ų144.6 Ų44.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-93.5140.2-178.4-68.7-95.1000111.8K73 L75 L99 L139 E144 L170 V171 R172K73-F148 HydrophobicContact CB-CD1 4.41Å; K73-F148 HydrophobicContact CD-CD1 4.09Å; K73-F148 HydrophobicContact CD-CE1 4.03Å; K73-F148 HydrophobicContact CD-CG 4.41Å; K73-F148 HydrophobicContact CD-CZ 4.27Å; K73-F148 HydrophobicContact CG-CD1 3.66Å; K73-F148 HydrophobicContact CG-CE1 3.73Å; K73-F148 HydrophobicContact CG-CG 4.35Å; K73-F148 HydrophobicContact CG-CZ 4.45Å; K73-F148 CarbonylContact O-C 3.6Å; L75-F148 HydrophobicContact CD1-CB 4.35Å; L75-F148 HydrophobicContact CD1-CD1 3.99Å; L75-F148 HydrophobicContact CD1-CD2 4.18Å; L75-F148 HydrophobicContact CD1-CE1 4.26Å; L75-F148 HydrophobicContact CD1-CE2 4.46Å; L75-F148 HydrophobicContact CD1-CG 3.92Å; L75-F148 HydrophobicContact CD1-CZ 4.48Å; L75-F148 HydrophobicContact CD2-CD1 4.02Å; L75-F148 HydrophobicContact CD2-CE1 3.52Å; L75-F148 HydrophobicContact CD2-CE2 4.44Å; L75-F148 HydrophobicContact CD2-CZ 3.76Å; L75-F148 HydrophobicContact CG-CD1 3.48Å; L75-F148 VanDerWaalsContact CG-CD1 3.48Å; L75-F148 HydrophobicContact CG-CD2 4.48Å; L75-F148 HydrophobicContact CG-CE1 3.55Å; L75-F148 HydrophobicContact CG-CG 3.95Å; L75-F148 HydrophobicContact CG-CZ 4.1Å; L99-F148 HydrophobicContact CB-CE1 4.23Å; L99-F148 HydrophobicContact CD2-CE1 4.35Å; L99-F148 HydrophobicContact CD2-CZ 4.03Å; L139-F148 HydrophobicContact CD1-CE2 4.15Å; L139-F148 HydrophobicContact CD1-CZ 3.98Å; L139-F148 HydrophobicContact CD2-CZ 4.48Å; E144-F148 HydrophobicContact CB-CE2 4.32Å; F148-L170 HydrophobicContact CD2-CB 3.94Å; F148-L170 HydrophobicContact CD2-CD2 4.32Å; F148-L170 HydrophobicContact CE2-CD2 4.17Å; F148-L170 PolarHBondContact N-O 3.35Å; F148-V171 HydrophobicContact CB-CG1 4.32Å; F148-V171 CarbonylContact O-C 3.51Å; F148-V171 VanDerWaalsContact O-CA 3.23Å; F148-V171 WeakPolarHBondContact O-CA 3.34Å; F148-R172 WeakPolarHBondContact O-CG 3.19Å; F148-R172 PolarHBondContact O-N 3.45Å
149D98.9Very high98.3Very high19 Ų1942.7 Ų42.710%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-85.4-33178.6-62.1-68.1000112.7I69 A71 R72 K73 R172 G175 I176I69-D149 HydrophobicContact CD1-CB 4.41Å; A71-D149 HydrophobicContact CB-CB 3.77Å; R72-D149 WeakPolarHBondContact CA-OD2 3.5Å; R72-D149 PolarHBondContact N-OD2 2.85Å; K73-D149 PolarHBondContact N-OD2 2.78Å; K73-D149 PolarHBondContact O-N 3.42Å; D149-R172 IonicContact OD1-CZ 2.85Å; D149-R172 IonicContact OD1-NE 3.34Å; D149-R172 PolarHBondContact OD1-NE 3.43Å; D149-R172 IonicContact OD1-NH2 2.93Å; D149-R172 PolarHBondContact OD1-NH2 3.45Å; D149-R172 VanDerWaalsContact OD1-NH2 3.1Å; D149-G175 WeakPolarHBondContact O-CA 3.39Å; D149-I176 PolarHBondContact O-N 3.43Å
150F98.9Very high98.3Very high1 Ų142.2 Ų42.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-148.6145.7-172.8176.2-92000111L62 C66 T74 L75 I88 M152 I176 A178L62-F150 HydrophobicContact CB-CZ 4.23Å; L62-F150 HydrophobicContact CD1-CZ 4.42Å; L62-F150 HydrophobicContact CD2-CE2 4.33Å; L62-F150 HydrophobicContact CD2-CZ 4.36Å; C66-F150 VanDerWaalsContact SG-CD1 3.58Å; C66-F150 WeakPolarHBondContact SG-CD2 3.27Å; C66-F150 WeakPolarHBondContact SG-CG 3.31Å; T74-F150 CarbonylContact C-O 3.57Å; T74-F150 VanDerWaalsContact CA-O 3.24Å; T74-F150 WeakPolarHBondContact CA-O 3.32Å; T74-F150 HydrophobicContact CG2-CB 3.86Å; T74-F150 HydrophobicContact CG2-CD1 4.45Å; L75-F150 PolarHBondContact N-O 2.78Å; I88-F150 HydrophobicContact CD1-CE1 4.13Å; I88-F150 HydrophobicContact CG1-CE1 4.24Å; F150-M152 HydrophobicContact CE1-CB 3.87Å; F150-M152 HydrophobicContact CZ-CB 4.33Å; F150-I176 CarbonylContact C-O 3.52Å; F150-I176 WeakPolarHBondContact CA-O 2.94Å; F150-I176 HydrophobicContact CD2-CB 3.86Å; F150-I176 HydrophobicContact CD2-CG2 3.86Å; F150-I176 HydrophobicContact CE2-CB 4.45Å; F150-I176 HydrophobicContact CE2-CG2 3.93Å; F150-A178 HydrophobicContact CE2-CB 3.92Å; F150-A178 HydrophobicContact CZ-CB 3.8Å
151A98.9Very high98.3Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-134.3130.4169.600000110.9L75 C167 V171 I176 I177 A178L75-A151 HydrophobicContact CB-CB 3.9Å; L75-A151 HydrophobicContact CD1-CB 4.19Å; L75-A151 CarbonylContact O-C 3.17Å; L75-A151 WeakPolarHBondContact O-CA 3.47Å; A151-C167 HydrophobicContact CB-CB 4.06Å; A151-V171 HydrophobicContact CB-CG1 4.06Å; A151-I176 PolarHBondContact N-O 2.9Å; A151-I177 HydrophobicContact CB-CG1 4.42Å; A151-I177 HydrophobicContact CB-CG2 4.35Å; A151-I177 CarbonylContact O-C 3.53Å; A151-I177 WeakPolarHBondContact O-CA 3.22Å; A151-A178 PolarHBondContact O-N 2.96Å
152M98.7Very high98.3Very high2 Ų239.8 Ų39.81%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-98135.4166.5-173.961.8-168.500109.8I54 L62 L75 V77 F150 D154 A178 D180I54-M152 HydrophobicContact CD1-CE 3.38Å; L62-M152 HydrophobicContact CD1-CE 4.06Å; L62-M152 HydrophobicContact CD1-SD 3.46Å; L62-M152 WeakPolarHBondContact CD1-SD 3.46Å; L75-M152 PolarHBondContact O-N 3.28Å; V77-M152 WeakPolarHBondContact CB-O 3.43Å; V77-M152 PolarHBondContact N-O 2.82Å; F150-M152 HydrophobicContact CE1-CB 3.87Å; F150-M152 HydrophobicContact CZ-CB 4.33Å; M152-D154 HydrophobicContact CE-CB 4.04Å; M152-A178 CarbonylContact C-O 3.58Å; M152-A178 WeakPolarHBondContact CA-O 3.47Å; M152-A178 HydrophobicContact SD-CB 3.73Å; M152-D180 HydrophobicContact CE-CB 3.67Å
153I98.8Very high98.3Very high0 Ų034.1 Ų34.10%020%0.197CC..EExtended strand (participates in β ladder)trans-124108.1175.1-58.1173000108.7Y160 Y163 C167 I177 A178 I179 D180I153-Y160 HydrophobicContact CG2-CD1 4.02Å; I153-Y160 HydrophobicContact CG2-CE1 3.86Å; I153-Y163 HydrophobicContact CG2-CD2 3.95Å; I153-Y163 HydrophobicContact CG2-CG 4.24Å; I153-C167 HydrophobicContact CD1-CB 4.24Å; I153-I177 HydrophobicContact CD1-CG2 3.65Å; I153-I177 HydrophobicContact CG1-CG2 4.23Å; I153-A178 PolarHBondContact N-O 3.36Å; I153-I179 HydrophobicContact CB-CB 4.49Å; I153-I179 HydrophobicContact CB-CG1 4.25Å; I153-I179 HydrophobicContact CB-CG2 4.15Å; I153-I179 HydrophobicContact CD1-CD1 4.33Å; I153-I179 HydrophobicContact CD1-CG1 4.15Å; I153-I179 HydrophobicContact CG2-CG2 4.19Å; I153-I179 WeakPolarHBondContact O-CA 3.46Å; I153-D180 PolarHBondContact O-N 3.49Å; I153-D180 VanDerWaalsContact O-N 3.14Å
154D97.7Very high98.3Very high28 Ų2831.3 Ų31.315%0.1517%0.168CC..  trans-147.863.8173.4-17119.4000111.9V77 M152 K157 D180 N181V77-D154 CarbonylContact O-C 3.51Å; V77-D154 PolarHBondContact O-N 2.92Å; M152-D154 HydrophobicContact CE-CB 4.04Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.17Å; D154-D180 HydrophobicContact CB-CB 4.14Å; D154-N181 PolarHBondContact OD1-OD1 3.32Å
155A96.8Very high98.3Very high25 Ų2533.5 Ų33.521%0.20718%0.177CC..SBendtrans-119-144.9-178.600000111.7V77 K157 Y163V77-A155 HydrophobicContact CG1-CB 4.06Å; A155-K157 WeakPolarHBondContact O-CD 3.36Å; A155-K157 PolarHBondContact O-N 3.24Å; A155-K157 PolarHBondContact O-NZ 2.95Å; A155-Y163 HydrophobicContact CB-CE2 3.84Å
156D96.9Very high98.4Very high67 Ų6731.6 Ų31.636%0.35816%0.162SC..  trans-68.5120.7173.662.3-61.8000111.3E158 N159 Y163D156-E158 PolarHBondContact O-N 3.45Å; D156-N159 PolarHBondContact O-N 3.41Å; D156-N159 VanDerWaalsContact O-N 3.14Å; D156-N159 WeakPolarHBondContact OD2-CB 3.43Å; D156-N159 PolarHBondContact OD2-ND2 3.49Å; D156-Y163 WeakPolarHBondContact OD1-CE2 3.43Å; D156-Y163 PolarHBondContact OD1-OH 3.09Å
157K97.6Very high98.4Very high17 Ų1727 Ų277%0.07414%0.141CC..G310 helixtrans-66.1-25.2-167-49.4-51.6179.4-148.80113.8D154 A155 N159 Y160 N181 W184 Q197 I201D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.17Å; A155-K157 WeakPolarHBondContact O-CD 3.36Å; A155-K157 PolarHBondContact O-N 3.24Å; A155-K157 PolarHBondContact O-NZ 2.95Å; K157-N159 PolarHBondContact O-N 2.79Å; K157-Y160 HydrophobicContact CD-CD1 4.37Å; K157-Y160 HydrophobicContact CD-CD2 4.46Å; K157-Y160 HydrophobicContact CD-CE1 3.6Å; K157-Y160 HydrophobicContact CD-CE2 3.7Å; K157-Y160 WeakPolarHBondContact CD-OH 3.18Å; K157-Y160 WeakPolarHBondContact CE-OH 3.5Å; K157-Y160 PolarHBondContact NZ-OH 2.75Å; K157-Y160 WeakPolarHBondContact O-CB 3.21Å; K157-Y160 PolarHBondContact O-N 2.82Å; K157-N181 VanDerWaalsContact CE-OD1 3.28Å; K157-N181 WeakPolarHBondContact CE-OD1 3.35Å; K157-N181 PolarHBondContact NZ-OD1 3.17Å; K157-W184 HydrophobicContact CD-CE3 4.45Å; K157-W184 HydrophobicContact CD-CH2 4.11Å; K157-W184 HydrophobicContact CD-CZ3 3.92Å; K157-W184 HydrophobicContact CG-CE3 4.27Å; K157-W184 HydrophobicContact CG-CH2 3.53Å; K157-W184 HydrophobicContact CG-CZ2 3.82Å; K157-W184 HydrophobicContact CG-CZ3 3.79Å; K157-Q197 HydrophobicContact CB-CB 3.76Å; K157-Q197 HydrophobicContact CB-CG 4.11Å; K157-Q197 HydrophobicContact CG-CB 4.19Å; K157-Q197 HydrophobicContact CG-CG 4.37Å; K157-I201 HydrophobicContact CB-CD1 3.88Å; K157-I201 HydrophobicContact CB-CG1 3.95Å; K157-I201 HydrophobicContact CD-CD1 4.3Å; K157-I201 HydrophobicContact CG-CD1 4Å
158E97.3Very high98.4Very high99 Ų9926 Ų2646%0.46313%0.133SC..G310 helixtrans-61.6-31.5177.6-62.3174.9-142.200111.9D156 P196 Q197D156-E158 PolarHBondContact O-N 3.45Å; E158-P196 HydrophobicContact CG-CB 3.52Å; E158-P196 WeakPolarHBondContact OE1-CB 3.41Å; E158-Q197 HydrophobicContact CG-CG 4.41Å; E158-Q197 PolarHBondContact OE1-NE2 3.21Å
159N98Very high98.4Very high48 Ų4831.1 Ų31.126%0.25716%0.156SC..G310 helixtrans-94.86.7-179.4-84.2-64.6000114.3D156 K157 S161 N162 Y163D156-N159 PolarHBondContact O-N 3.41Å; D156-N159 VanDerWaalsContact O-N 3.14Å; D156-N159 WeakPolarHBondContact OD2-CB 3.43Å; D156-N159 PolarHBondContact OD2-ND2 3.49Å; K157-N159 PolarHBondContact O-N 2.79Å; N159-S161 VanDerWaalsContact C-N 3.3Å; N159-S161 PolarHBondContact O-N 3.31Å; N159-N162 WeakPolarHBondContact O-CA 3.34Å; N159-N162 WeakPolarHBondContact O-CB 3.47Å; N159-N162 PolarHBondContact O-N 3.46Å; N159-N162 PolarHBondContact OD1-ND2 2.96Å; N159-Y163 HydrophobicContact CB-CD2 3.95Å; N159-Y163 HydrophobicContact CB-CE1 4.14Å; N159-Y163 HydrophobicContact CB-CE2 3.37Å; N159-Y163 VanDerWaalsContact CB-CZ 3.48Å; N159-Y163 WeakPolarHBondContact O-CD2 3.41Å; N159-Y163 PolarHBondContact O-N 3.07Å
160Y98.6Very high98.4Very high1 Ų130.2 Ų30.20%0.00415%0.151CC..Hα-helixtrans-55-41.2-176.1-89.118.6000113.8I153 K157 N162 Y163 Y164 I179 D180 I201 M204I153-Y160 HydrophobicContact CG2-CD1 4.02Å; I153-Y160 HydrophobicContact CG2-CE1 3.86Å; K157-Y160 HydrophobicContact CD-CD1 4.37Å; K157-Y160 HydrophobicContact CD-CD2 4.46Å; K157-Y160 HydrophobicContact CD-CE1 3.6Å; K157-Y160 HydrophobicContact CD-CE2 3.7Å; K157-Y160 WeakPolarHBondContact CD-OH 3.18Å; K157-Y160 WeakPolarHBondContact CE-OH 3.5Å; K157-Y160 PolarHBondContact NZ-OH 2.75Å; K157-Y160 WeakPolarHBondContact O-CB 3.21Å; K157-Y160 PolarHBondContact O-N 2.82Å; Y160-N162 VanDerWaalsContact C-N 3.3Å; Y160-N162 PolarHBondContact O-N 3.02Å; Y160-Y163 HydrophobicContact CD1-CD2 4.04Å; Y160-Y163 PolarHBondContact O-N 2.92Å; Y160-Y164 VanDerWaalsContact O-CB 3.31Å; Y160-Y164 WeakPolarHBondContact O-CB 3.31Å; Y160-Y164 PolarHBondContact O-N 2.71Å; Y160-I179 HydrophobicContact CD2-CG2 3.92Å; Y160-I179 HydrophobicContact CE2-CG2 3.68Å; Y160-D180 WeakPolarHBondContact CE2-O 3.4Å; Y160-D180 PolarHBondContact OH-O 2.87Å; Y160-D180 VanDerWaalsContact OH-O 3.09Å; Y160-I201 HydrophobicContact CD2-CG1 3.85Å; Y160-I201 HydrophobicContact CE2-CG1 4.17Å; Y160-M204 HydrophobicContact CD2-CE 3.62Å; Y160-M204 HydrophobicContact CE2-CE 4.35Å; Y160-M204 HydrophobicContact CG-CE 4.47Å
161S98.6Very high98.4Very high12 Ų1230.2 Ų30.28%0.08415%0.151CC..Hα-helixtrans-61.2-36.7174.1-71.30000112.9N159 K165 M204N159-S161 VanDerWaalsContact C-N 3.3Å; N159-S161 PolarHBondContact O-N 3.31Å; S161-K165 WeakPolarHBondContact O-CD 3.47Å; S161-K165 VanDerWaalsContact O-CG 3.22Å; S161-K165 WeakPolarHBondContact O-CG 3.42Å; S161-K165 PolarHBondContact O-N 3.27Å; S161-K165 VanDerWaalsContact O-N 3.17Å; S161-M204 WeakPolarHBondContact OG-CA 3.28Å; S161-M204 PolarHBondContact OG-N 3.1Å
162N98.7Very high98.4Very high68 Ų6833.2 Ų33.236%0.36416%0.162SC..Hα-helixtrans-73.4-47.3178.4-66.9-32.6000110.9V133 N159 Y160 Y164 K165 L166V133-N162 HydrophobicContact CG2-CB 4.32Å; N159-N162 WeakPolarHBondContact O-CA 3.34Å; N159-N162 WeakPolarHBondContact O-CB 3.47Å; N159-N162 PolarHBondContact O-N 3.46Å; N159-N162 PolarHBondContact OD1-ND2 2.96Å; Y160-N162 VanDerWaalsContact C-N 3.3Å; Y160-N162 PolarHBondContact O-N 3.02Å; N162-Y164 VanDerWaalsContact C-N 3.33Å; N162-Y164 PolarHBondContact O-N 3.37Å; N162-K165 PolarHBondContact O-N 3.31Å; N162-L166 WeakPolarHBondContact O-CB 3.42Å; N162-L166 VanDerWaalsContact O-CG 3.3Å; N162-L166 WeakPolarHBondContact O-CG 3.3Å; N162-L166 PolarHBondContact O-N 3.34Å
163Y98.8Very high98.3Very high9 Ų935.8 Ų35.84%0.03518%0.179CC..Hα-helixtrans-56.4-48.4175.1-61.1-39.8000111.2V77 A132 V133 L136 I153 A155 D156 N159 Y160 K165 L166 C167V77-Y163 HydrophobicContact CG1-CD1 3.97Å; V77-Y163 HydrophobicContact CG1-CD2 4.33Å; V77-Y163 HydrophobicContact CG1-CE1 4.06Å; V77-Y163 HydrophobicContact CG1-CE2 4.41Å; V77-Y163 HydrophobicContact CG1-CG 4.13Å; A132-Y163 HydrophobicContact CB-CD1 4.46Å; A132-Y163 HydrophobicContact CB-CE1 3.72Å; V133-Y163 HydrophobicContact CG2-CD1 4.01Å; V133-Y163 HydrophobicContact CG2-CE1 3.43Å; V133-Y163 VanDerWaalsContact CG2-CE1 3.43Å; L136-Y163 HydrophobicContact CD1-CD1 3.99Å; I153-Y163 HydrophobicContact CG2-CD2 3.95Å; I153-Y163 HydrophobicContact CG2-CG 4.24Å; A155-Y163 HydrophobicContact CB-CE2 3.84Å; D156-Y163 WeakPolarHBondContact OD1-CE2 3.43Å; D156-Y163 PolarHBondContact OD1-OH 3.09Å; N159-Y163 HydrophobicContact CB-CD2 3.95Å; N159-Y163 HydrophobicContact CB-CE1 4.14Å; N159-Y163 HydrophobicContact CB-CE2 3.37Å; N159-Y163 VanDerWaalsContact CB-CZ 3.48Å; N159-Y163 WeakPolarHBondContact O-CD2 3.41Å; N159-Y163 PolarHBondContact O-N 3.07Å; Y160-Y163 HydrophobicContact CD1-CD2 4.04Å; Y160-Y163 PolarHBondContact O-N 2.92Å; Y163-K165 PolarHBondContact O-N 2.71Å; Y163-L166 PolarHBondContact O-N 3.07Å; Y163-C167 WeakPolarHBondContact O-CB 3.23Å; Y163-C167 PolarHBondContact O-N 2.95Å; Y163-C167 PolarHBondContact O-SG 2.9Å
164Y98.8Very high98.3Very high1 Ų144.3 Ų44.30%0.00421%0.211CC..Hα-helixtrans-56.8-51.4177.2171.9-108.5000112.3Y160 N162 L166 C167 L168 I177 I179 L207 I208 D211 V228Y160-Y164 VanDerWaalsContact O-CB 3.31Å; Y160-Y164 WeakPolarHBondContact O-CB 3.31Å; Y160-Y164 PolarHBondContact O-N 2.71Å; N162-Y164 VanDerWaalsContact C-N 3.33Å; N162-Y164 PolarHBondContact O-N 3.37Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 2.92Å; Y164-C167 PolarHBondContact O-N 3.35Å; Y164-L168 HydrophobicContact CE1-CD2 4.32Å; Y164-L168 VanDerWaalsContact O-CB 3.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 PolarHBondContact O-N 3.28Å; Y164-I177 HydrophobicContact CD2-CD1 4.15Å; Y164-I177 HydrophobicContact CE2-CD1 4.11Å; Y164-I179 HydrophobicContact CD2-CD1 4.13Å; Y164-L207 HydrophobicContact CD1-CD2 3.64Å; Y164-L207 HydrophobicContact CD1-CG 4.18Å; Y164-L207 HydrophobicContact CE1-CD2 4.06Å; Y164-L207 HydrophobicContact CE1-CG 4.12Å; Y164-I208 HydrophobicContact CD1-CG1 4.01Å; Y164-I208 HydrophobicContact CD2-CD1 3.85Å; Y164-I208 HydrophobicContact CD2-CG1 4.02Å; Y164-I208 HydrophobicContact CE1-CG1 3.73Å; Y164-I208 HydrophobicContact CE2-CD1 3.89Å; Y164-I208 HydrophobicContact CE2-CG1 3.75Å; Y164-I208 HydrophobicContact CG-CD1 4.19Å; Y164-I208 HydrophobicContact CG-CG1 4.13Å; Y164-D211 PolarHBondContact OH-OD2 3.17Å; Y164-V228 HydrophobicContact CE2-CG1 4.2Å; Y164-V228 HydrophobicContact CE2-CG2 4.12Å
165K98.7Very high98.4Very high103 Ų10343 Ų4345%0.44820%0.204SC..Hα-helixtrans-60.5-41.6-179.2-73.7170-172.3172.10112.6S161 N162 Y163 K169 L207S161-K165 WeakPolarHBondContact O-CD 3.47Å; S161-K165 VanDerWaalsContact O-CG 3.22Å; S161-K165 WeakPolarHBondContact O-CG 3.42Å; S161-K165 PolarHBondContact O-N 3.27Å; S161-K165 VanDerWaalsContact O-N 3.17Å; N162-K165 PolarHBondContact O-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.71Å; K165-K169 PolarHBondContact O-N 3.47Å; K165-L207 HydrophobicContact CD-CD2 4.33Å; K165-L207 VanDerWaalsContact CE-CD2 3.43Å; K165-L207 HydrophobicContact CG-CD2 4.02Å
166L98.9Very high98.5Very high14 Ų1442.2 Ų42.27%0.07320%0.197CC..Hα-helixtrans-72.2-46.1-179.6-67.3167.6000110.9V133 L136 Q137 I140 N162 Y163 Y164 L168 K169 L170V133-L166 HydrophobicContact CB-CD1 4.36Å; V133-L166 HydrophobicContact CG1-CD1 3.81Å; L136-L166 HydrophobicContact CB-CB 3.91Å; L136-L166 HydrophobicContact CB-CD1 3.98Å; L136-L166 HydrophobicContact CB-CG 4.45Å; L136-L166 HydrophobicContact CD1-CB 4.12Å; L136-L166 HydrophobicContact CD1-CD1 4.32Å; Q137-L166 HydrophobicContact CB-CD2 4.44Å; I140-L166 HydrophobicContact CD1-CB 4.4Å; I140-L166 HydrophobicContact CD1-CD2 3.59Å; N162-L166 WeakPolarHBondContact O-CB 3.42Å; N162-L166 VanDerWaalsContact O-CG 3.3Å; N162-L166 WeakPolarHBondContact O-CG 3.3Å; N162-L166 PolarHBondContact O-N 3.34Å; Y163-L166 PolarHBondContact O-N 3.07Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 2.92Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 2.89Å; L166-K169 WeakPolarHBondContact O-CB 3.46Å; L166-K169 PolarHBondContact O-N 2.88Å; L166-K169 VanDerWaalsContact O-N 3.15Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.17Å; L166-L170 VanDerWaalsContact O-N 3.13Å
167C98.8Very high98.6Very high0 Ų039.1 Ų39.10%018%0.18CC..Hα-helixtrans-59.3-40.6174.4-71.80000111.5A151 I153 Y163 Y164 K169 L170 V171 I177A151-C167 HydrophobicContact CB-CB 4.06Å; I153-C167 HydrophobicContact CD1-CB 4.24Å; Y163-C167 WeakPolarHBondContact O-CB 3.23Å; Y163-C167 PolarHBondContact O-N 2.95Å; Y163-C167 PolarHBondContact O-SG 2.9Å; Y164-C167 PolarHBondContact O-N 3.35Å; C167-K169 PolarHBondContact O-N 2.96Å; C167-L170 CarbonylContact O-C 3.59Å; C167-L170 PolarHBondContact O-N 3.48Å; C167-V171 VanDerWaalsContact O-CG2 3.3Å; C167-V171 WeakPolarHBondContact O-CG2 3.47Å; C167-V171 PolarHBondContact O-N 3.29Å; C167-I177 HydrophobicContact CB-CD1 4Å; C167-I177 HydrophobicContact CB-CG1 4.39Å; C167-I177 HydrophobicContact CB-CG2 4.44Å
168L98.8Very high98.6Very high31 Ų3138.3 Ų38.316%0.16218%0.176CC..Hα-helixtrans-59.9-32.3177.5-173.366.4000113.3Y164 L166 I177 D211 V214 K230Y164-L168 HydrophobicContact CE1-CD2 4.32Å; Y164-L168 VanDerWaalsContact O-CB 3.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 PolarHBondContact O-N 3.28Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 2.89Å; L168-I177 HydrophobicContact CB-CD1 4.12Å; L168-I177 HydrophobicContact CD1-CD1 4.25Å; L168-D211 WeakPolarHBondContact CD2-OD2 3.48Å; L168-V214 HydrophobicContact CD1-CG1 3.59Å; L168-K230 HydrophobicContact CD1-CB 4.37Å; L168-K230 HydrophobicContact CD1-CD 4.1Å; L168-K230 HydrophobicContact CD1-CG 4.17Å; L168-K230 PolarHBondContact O-NZ 3.14Å
169K98.7Very high98.7Very high109 Ų10933.6 Ų33.647%0.47415%0.154SC..Hα-helixtrans-74.7-35.6172.8-67.6174178.3-179.10112.2I140 E146 K165 L166 C167I140-K169 HydrophobicContact CD1-CB 3.88Å; I140-K169 HydrophobicContact CD1-CD 3.78Å; I140-K169 HydrophobicContact CD1-CG 4.5Å; I140-K169 HydrophobicContact CG1-CB 4.29Å; E146-K169 PolarHBondContact N-O 3.25Å; K165-K169 PolarHBondContact O-N 3.47Å; L166-K169 WeakPolarHBondContact O-CB 3.46Å; L166-K169 PolarHBondContact O-N 2.88Å; L166-K169 VanDerWaalsContact O-N 3.15Å; C167-K169 PolarHBondContact O-N 2.96Å
170L98.9Very high98.7Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-80.3-33.6-177.5-70.7169.4000113.7L75 L136 L139 I140 E144 E146 T147 F148 L166 C167L75-L170 HydrophobicContact CD1-CB 4.14Å; L75-L170 HydrophobicContact CD1-CD1 3.93Å; L136-L170 HydrophobicContact CB-CD1 4.1Å; L136-L170 HydrophobicContact CD2-CD1 3.55Å; L136-L170 HydrophobicContact CG-CD1 4.42Å; L139-L170 HydrophobicContact CB-CD1 4.33Å; L139-L170 HydrophobicContact CB-CD2 3.69Å; L139-L170 HydrophobicContact CD1-CD1 4.08Å; I140-L170 HydrophobicContact CD1-CG 4.32Å; I140-L170 HydrophobicContact CG1-CD1 4.44Å; I140-L170 HydrophobicContact CG1-CD2 3.63Å; I140-L170 HydrophobicContact CG1-CG 3.81Å; E144-L170 HydrophobicContact CB-CD2 4.21Å; E144-L170 VanDerWaalsContact O-CD2 3.29Å; E144-L170 WeakPolarHBondContact O-CD2 3.29Å; E146-L170 CarbonylContact C-O 3.59Å; E146-L170 WeakPolarHBondContact CA-O 3.42Å; E146-L170 PolarHBondContact N-O 2.99Å; E146-L170 VanDerWaalsContact N-O 3.12Å; T147-L170 PolarHBondContact N-O 3.07Å; F148-L170 HydrophobicContact CD2-CB 3.94Å; F148-L170 HydrophobicContact CD2-CD2 4.32Å; F148-L170 HydrophobicContact CE2-CD2 4.17Å; F148-L170 PolarHBondContact N-O 3.35Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.17Å; L166-L170 VanDerWaalsContact O-N 3.13Å; C167-L170 CarbonylContact O-C 3.59Å; C167-L170 PolarHBondContact O-N 3.48Å
171V98.8Very high98.6Very high0 Ų032.9 Ų32.90%015%0.151CC..EExtended strand (participates in β ladder)trans-75.4139.5178.4-67.60000111.3F148 A151 C167 I177 K230F148-V171 HydrophobicContact CB-CG1 4.32Å; F148-V171 CarbonylContact O-C 3.51Å; F148-V171 VanDerWaalsContact O-CA 3.23Å; F148-V171 WeakPolarHBondContact O-CA 3.34Å; A151-V171 HydrophobicContact CB-CG1 4.06Å; C167-V171 VanDerWaalsContact O-CG2 3.3Å; C167-V171 WeakPolarHBondContact O-CG2 3.47Å; C167-V171 PolarHBondContact O-N 3.29Å; V171-I177 HydrophobicContact CG1-CG1 4.11Å; V171-I177 HydrophobicContact CG2-CD1 3.88Å; V171-I177 HydrophobicContact CG2-CG1 3.84Å; V171-K230 HydrophobicContact CG2-CB 4.35Å; V171-K230 HydrophobicContact CG2-CD 3.98Å; V171-K230 VanDerWaalsContact O-CD 3.29Å; V171-K230 WeakPolarHBondContact O-CD 3.49Å; V171-K230 PolarHBondContact O-NZ 3.07Å
172R98.7Very high98.5Very high63 Ų6332.3 Ų32.324%0.23815%0.147CC..EExtended strand (participates in β ladder)trans-66.7162.4176.465.8164.9170.876.82.5112.2E146 F148 D149 R174 G175E146-R172 VanDerWaalsContact O-CB 3.26Å; E146-R172 WeakPolarHBondContact O-CB 3.45Å; F148-R172 WeakPolarHBondContact O-CG 3.19Å; F148-R172 PolarHBondContact O-N 3.45Å; D149-R172 IonicContact OD1-CZ 2.85Å; D149-R172 IonicContact OD1-NE 3.34Å; D149-R172 PolarHBondContact OD1-NE 3.43Å; D149-R172 IonicContact OD1-NH2 2.93Å; D149-R172 PolarHBondContact OD1-NH2 3.45Å; D149-R172 VanDerWaalsContact OD1-NH2 3.1Å; R172-R174 PolarHBondContact O-N 3Å; R172-G175 WeakPolarHBondContact O-CA 3.39Å; R172-G175 PolarHBondContact O-N 3.42Å
173P98.6Very high98.5Very high57 Ų5730.8 Ų30.837%0.3714%0.138SC..EExtended strand (participates in β ladder)trans-49.2136.4162.4-27.736.3000111.2G175P173-G175 PolarHBondContact O-N 2.81Å
174R98.4Very high98.3Very high179 Ų17932.8 Ų32.868%0.67515%0.146SC*.EExtended strand (participates in β ladder)trans62.99.5-171.8-45.1171.158.4762.6115.1R172 K230R172-R174 PolarHBondContact O-N 3Å; R174-K230 WeakPolarHBondContact CA-O 3.48Å; R174-K230 PolarHBondContact N-O 3.37Å
175G98.7Very high98.1Very high0 Ų036.7 Ų36.70%017%0.173CC..EExtended strand (participates in β ladder)trans-72.7160.8167.600000111D149 R172 P173 V229 K230D149-G175 WeakPolarHBondContact O-CA 3.39Å; R172-G175 WeakPolarHBondContact O-CA 3.39Å; R172-G175 PolarHBondContact O-N 3.42Å; P173-G175 PolarHBondContact O-N 2.81Å; G175-V229 WeakPolarHBondContact O-CA 3.29Å; G175-K230 PolarHBondContact O-N 2.88Å
176I98.9Very high97.9Very high9 Ų937 Ų375%0.04618%0.176CC..EExtended strand (participates in β ladder)trans-115.9137.1-173.1-60.5-179.7000110.3L65 I69 D149 F150 A151 I227 V228 V229L65-I176 HydrophobicContact CB-CD1 4.22Å; I69-I176 HydrophobicContact CD1-CD1 4.04Å; I69-I176 HydrophobicContact CD1-CG1 4.16Å; I69-I176 HydrophobicContact CG2-CD1 3.88Å; D149-I176 PolarHBondContact O-N 3.43Å; F150-I176 CarbonylContact C-O 3.52Å; F150-I176 WeakPolarHBondContact CA-O 2.94Å; F150-I176 HydrophobicContact CD2-CB 3.86Å; F150-I176 HydrophobicContact CD2-CG2 3.86Å; F150-I176 HydrophobicContact CE2-CB 4.45Å; F150-I176 HydrophobicContact CE2-CG2 3.93Å; A151-I176 PolarHBondContact N-O 2.9Å; I176-I227 HydrophobicContact CG2-CG2 3.96Å; I176-V228 CarbonylContact C-O 3.35Å; I176-V228 VanDerWaalsContact CA-O 3.27Å; I176-V228 WeakPolarHBondContact CA-O 3.44Å; I176-V229 HydrophobicContact CG1-CG2 4.3Å
177I98.9Very high97.8Very high1 Ų140.9 Ų40.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-116.1124.7166.3-50.7170.4000107A151 I153 Y164 C167 L168 V171 I179 V228A151-I177 HydrophobicContact CB-CG1 4.42Å; A151-I177 HydrophobicContact CB-CG2 4.35Å; A151-I177 CarbonylContact O-C 3.53Å; A151-I177 WeakPolarHBondContact O-CA 3.22Å; I153-I177 HydrophobicContact CD1-CG2 3.65Å; I153-I177 HydrophobicContact CG1-CG2 4.23Å; Y164-I177 HydrophobicContact CD2-CD1 4.15Å; Y164-I177 HydrophobicContact CE2-CD1 4.11Å; C167-I177 HydrophobicContact CB-CD1 4Å; C167-I177 HydrophobicContact CB-CG1 4.39Å; C167-I177 HydrophobicContact CB-CG2 4.44Å; L168-I177 HydrophobicContact CB-CD1 4.12Å; L168-I177 HydrophobicContact CD1-CD1 4.25Å; V171-I177 HydrophobicContact CG1-CG1 4.11Å; V171-I177 HydrophobicContact CG2-CD1 3.88Å; V171-I177 HydrophobicContact CG2-CG1 3.84Å; I177-I179 HydrophobicContact CG2-CD1 4.41Å; I177-I179 HydrophobicContact CG2-CG1 4.04Å; I177-V228 HydrophobicContact CB-CB 4.21Å; I177-V228 PolarHBondContact N-O 3.23Å; I177-V228 PolarHBondContact O-N 3.05Å
178A98.8Very high97.8Very high0 Ų042.1 Ų42.10%020%0.197CC..EExtended strand (participates in β ladder)trans-109.3133.9173.300000109.4L62 F150 A151 M152 I153 L225 T226L62-A178 HydrophobicContact CD1-CB 3.88Å; L62-A178 HydrophobicContact CD2-CB 3.46Å; L62-A178 VanDerWaalsContact CD2-CB 3.46Å; L62-A178 HydrophobicContact CG-CB 4.31Å; F150-A178 HydrophobicContact CE2-CB 3.92Å; F150-A178 HydrophobicContact CZ-CB 3.8Å; A151-A178 PolarHBondContact O-N 2.96Å; M152-A178 CarbonylContact C-O 3.58Å; M152-A178 WeakPolarHBondContact CA-O 3.47Å; M152-A178 HydrophobicContact SD-CB 3.73Å; I153-A178 PolarHBondContact N-O 3.36Å; A178-L225 HydrophobicContact CB-CD1 4.43Å; A178-T226 CarbonylContact C-O 3.52Å; A178-T226 WeakPolarHBondContact CA-O 3.46Å
179I98.7Very high97.7Very high0 Ų046.9 Ų46.90%022%0.222CC..EExtended strand (participates in β ladder)trans-130.8121.5-177-44.4178.8000108.2I153 Y160 Y164 I177 V182 M204 I208 T226I153-I179 HydrophobicContact CB-CB 4.49Å; I153-I179 HydrophobicContact CB-CG1 4.25Å; I153-I179 HydrophobicContact CB-CG2 4.15Å; I153-I179 HydrophobicContact CD1-CD1 4.33Å; I153-I179 HydrophobicContact CD1-CG1 4.15Å; I153-I179 HydrophobicContact CG2-CG2 4.19Å; I153-I179 WeakPolarHBondContact O-CA 3.46Å; Y160-I179 HydrophobicContact CD2-CG2 3.92Å; Y160-I179 HydrophobicContact CE2-CG2 3.68Å; Y164-I179 HydrophobicContact CD2-CD1 4.13Å; I177-I179 HydrophobicContact CG2-CD1 4.41Å; I177-I179 HydrophobicContact CG2-CG1 4.04Å; I179-V182 HydrophobicContact CB-CG1 4Å; I179-V182 HydrophobicContact CG2-CG1 3.8Å; I179-V182 WeakPolarHBondContact O-CG1 3.31Å; I179-M204 HydrophobicContact CD1-CE 4.46Å; I179-M204 HydrophobicContact CD1-CG 4.47Å; I179-M204 HydrophobicContact CD1-SD 3.75Å; I179-M204 HydrophobicContact CG2-CE 3.91Å; I179-I208 HydrophobicContact CD1-CD1 3.63Å; I179-T226 HydrophobicContact CD1-CG2 4.49Å; I179-T226 PolarHBondContact N-O 3.16Å; I179-T226 PolarHBondContact O-N 2.79Å
180D97.7Very high97.6Very high2 Ų245.2 Ų45.21%0.01122%0.218CC..  trans-91.8164.9-177.6-163.718.2000112.7I54 M152 I153 D154 Y160 V182 G224I54-D180 HydrophobicContact CD1-CB 4.31Å; I54-D180 WeakPolarHBondContact CG1-OD2 3.35Å; M152-D180 HydrophobicContact CE-CB 3.67Å; I153-D180 PolarHBondContact O-N 3.49Å; I153-D180 VanDerWaalsContact O-N 3.14Å; D154-D180 HydrophobicContact CB-CB 4.14Å; Y160-D180 WeakPolarHBondContact CE2-O 3.4Å; Y160-D180 PolarHBondContact OH-O 2.87Å; Y160-D180 VanDerWaalsContact OH-O 3.09Å; D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 3.3Å; D180-G224 CarbonylContact C-O 3.55Å
181N96.6Very high97.5Very high32 Ų3249.5 Ų49.517%0.17125%0.246CC..  trans55.831.2177.7-37.2144.4000115D154 K157 L183 W184 D223 G224D154-N181 PolarHBondContact OD1-OD1 3.32Å; K157-N181 VanDerWaalsContact CE-OD1 3.28Å; K157-N181 WeakPolarHBondContact CE-OD1 3.35Å; K157-N181 PolarHBondContact NZ-OD1 3.17Å; N181-L183 PolarHBondContact O-N 3.16Å; N181-W184 HydrophobicContact CB-CE3 3.67Å; N181-W184 HydrophobicContact CB-CZ3 3.8Å; N181-W184 PolarHBondContact O-N 3.47Å; N181-W184 VanDerWaalsContact O-N 3.1Å; N181-D223 CarbonylContact C-O 3.45Å; N181-D223 VanDerWaalsContact CA-O 3.27Å; N181-D223 WeakPolarHBondContact CA-O 3.07Å; N181-D223 HydrophobicContact CB-CB 4.4Å; N181-G224 PolarHBondContact N-O 2.79Å
182V97.6Very high97.4Very high0 Ų055.5 Ų55.50%028%0.278CS..THydrogen-bonded Turntrans-75.5-6.6-172.6-56.80000114.5I179 D180 I201 M204 N205 L218 D223 G224 T226I179-V182 HydrophobicContact CB-CG1 4Å; I179-V182 HydrophobicContact CG2-CG1 3.8Å; I179-V182 WeakPolarHBondContact O-CG1 3.31Å; D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 3.3Å; V182-I201 VanDerWaalsContact O-CG2 3.31Å; V182-I201 WeakPolarHBondContact O-CG2 3.42Å; V182-M204 HydrophobicContact CB-CE 4.27Å; V182-M204 HydrophobicContact CG1-CE 3.63Å; V182-N205 PolarHBondContact O-ND2 3.33Å; V182-L218 HydrophobicContact CG2-CD1 4.07Å; V182-L218 HydrophobicContact CG2-CD2 4.46Å; V182-L218 HydrophobicContact CG2-CG 3.97Å; V182-D223 PolarHBondContact N-O 3.46Å; V182-G224 WeakPolarHBondContact CG2-O 3.22Å; V182-G224 PolarHBondContact N-O 2.64Å; V182-T226 WeakPolarHBondContact CG2-OG1 3.4Å
183L96.9Very high97.4Very high36 Ų3653.5 Ų53.519%0.18827%0.272CS..THydrogen-bonded Turntrans-98.2-16.9170.3-62.9174.5000112.4N181 S185 H186 V188 L218 R220 D223N181-L183 PolarHBondContact O-N 3.16Å; L183-S185 PolarHBondContact O-N 3.21Å; L183-H186 VanDerWaalsContact O-CA 3.29Å; L183-H186 WeakPolarHBondContact O-CA 3.31Å; L183-H186 PolarHBondContact O-N 3.29Å; L183-V188 WeakPolarHBondContact O-CG2 3.35Å; L183-L218 HydrophobicContact CD2-CD2 3.88Å; L183-L218 HydrophobicContact CG-CD2 4.35Å; L183-R220 HydrophobicContact CD1-CG 4.3Å; L183-D223 WeakPolarHBondContact CA-O 3.47Å; L183-D223 VanDerWaalsContact CB-O 3.31Å; L183-D223 WeakPolarHBondContact CB-O 3.3Å; L183-D223 PolarHBondContact N-O 2.8Å
184W96Very high97.3Very high52 Ų5256.5 Ų56.520%0.19729%0.285CS..G310 helixtrans48.654.8170.5-154.6-127.9000114.2K157 N181 H186 R187 V188 Q197 T198 I201 D223K157-W184 HydrophobicContact CD-CE3 4.45Å; K157-W184 HydrophobicContact CD-CH2 4.11Å; K157-W184 HydrophobicContact CD-CZ3 3.92Å; K157-W184 HydrophobicContact CG-CE3 4.27Å; K157-W184 HydrophobicContact CG-CH2 3.53Å; K157-W184 HydrophobicContact CG-CZ2 3.82Å; K157-W184 HydrophobicContact CG-CZ3 3.79Å; N181-W184 HydrophobicContact CB-CE3 3.67Å; N181-W184 HydrophobicContact CB-CZ3 3.8Å; N181-W184 PolarHBondContact O-N 3.47Å; N181-W184 VanDerWaalsContact O-N 3.1Å; W184-H186 PolarHBondContact O-N 3.22Å; W184-R187 WeakPolarHBondContact O-CB 3.39Å; W184-R187 WeakPolarHBondContact O-CG 3.48Å; W184-R187 PolarHBondContact O-N 3.23Å; W184-V188 HydrophobicContact CB-CG1 3.92Å; W184-Q197 HydrophobicContact CZ2-CB 3.79Å; W184-Q197 HydrophobicContact CZ2-CG 4.15Å; W184-T198 VanDerWaalsContact CD1-OG1 3.28Å; W184-I201 HydrophobicContact CB-CD1 3.61Å; W184-I201 HydrophobicContact CD2-CD1 3.43Å; W184-I201 VanDerWaalsContact CD2-CD1 3.43Å; W184-I201 HydrophobicContact CE3-CD1 3.68Å; W184-I201 HydrophobicContact CG-CD1 3.41Å; W184-I201 VanDerWaalsContact CG-CD1 3.41Å; W184-D223 VanDerWaalsContact CA-OD2 3.26Å; W184-D223 WeakPolarHBondContact CA-OD2 3.43Å; W184-D223 PolarHBondContact N-OD2 2.88Å
185S93.8Very high97.3Very high82 Ų8249.2 Ų49.257%0.57326%0.261SS*.G310 helixtrans54.737.3-176.8-60.80000112.7L183 R187 D223L183-S185 PolarHBondContact O-N 3.21Å; S185-R187 PolarHBondContact O-N 3.1Å; S185-D223 VanDerWaalsContact CA-OD1 3.31Å; S185-D223 WeakPolarHBondContact CA-OD1 3.26Å; S185-D223 PolarHBondContact N-OD1 3.29Å; S185-D223 PolarHBondContact N-OD2 2.9Å; S185-D223 PolarHBondContact OG-OD2 3.14Å
186H95Very high97.2Very high110 Ų11052.6 Ų52.651%0.50928%0.283SS..G310 helixtrans65.82.9-173.6-4585.8000114.8L183 W184 V188 L189L183-H186 VanDerWaalsContact O-CA 3.29Å; L183-H186 WeakPolarHBondContact O-CA 3.31Å; L183-H186 PolarHBondContact O-N 3.29Å; W184-H186 PolarHBondContact O-N 3.22Å; H186-V188 PolarHBondContact O-N 3.14Å; H186-L189 HydrophobicContact CB-CD1 4.15Å; H186-L189 VanDerWaalsContact O-CB 3.25Å; H186-L189 WeakPolarHBondContact O-CB 3.33Å; H186-L189 WeakPolarHBondContact O-CG 3.31Å; H186-L189 PolarHBondContact O-N 3.5Å
187R97.2Very high97.2Very high96 Ų9655.2 Ų55.236%0.36230%0.295SS..G310 helixtrans-62.2-27.9-178.7-65.9-178.272.7-169-3112.7W184 S185 L189 D190 D193 C195 T198W184-R187 WeakPolarHBondContact O-CB 3.39Å; W184-R187 WeakPolarHBondContact O-CG 3.48Å; W184-R187 PolarHBondContact O-N 3.23Å; S185-R187 PolarHBondContact O-N 3.1Å; R187-L189 PolarHBondContact O-N 2.97Å; R187-L189 VanDerWaalsContact O-N 3.11Å; R187-D190 PolarHBondContact O-N 3.26Å; R187-D193 WeakPolarHBondContact CB-OD2 3.39Å; R187-D193 IonicContact CZ-OD1 2.68Å; R187-D193 IonicContact CZ-OD2 2.64Å; R187-D193 IonicContact NE-OD2 2.79Å; R187-D193 PolarHBondContact NE-OD2 2.98Å; R187-D193 IonicContact NH2-OD1 3.07Å; R187-D193 PolarHBondContact NH2-OD1 3.09Å; R187-D193 IonicContact NH2-OD2 3.78Å; R187-D193 PolarHBondContact NH2-OD2 3.03Å; R187-C195 VanDerWaalsContact CZ-SG 3.56Å; R187-C195 PolarHBondContact NH1-SG 2.99Å; R187-C195 PolarHBondContact NH2-SG 2.85Å; R187-T198 HydrophobicContact CB-CG2 4.18Å
188V97.4Very high97.2Very high25 Ų2555.1 Ų55.115%0.15230%0.295CS..G310 helixtrans-60.5-18.3173-570000113.4L183 W184 H186 I201 R202L183-V188 WeakPolarHBondContact O-CG2 3.35Å; W184-V188 HydrophobicContact CB-CG1 3.92Å; H186-V188 PolarHBondContact O-N 3.14Å; V188-I201 HydrophobicContact CG1-CB 4.28Å; V188-I201 HydrophobicContact CG1-CG2 3.63Å; V188-R202 HydrophobicContact CB-CG 4.13Å; V188-R202 HydrophobicContact CG1-CG 4.36Å
189L97Very high97.1Very high131 Ų13157.1 Ų57.169%0.68631%0.307SS*.G310 helixtrans-84.5-18.5176.3-55.6179.9000113.1H186 R187 P191H186-L189 HydrophobicContact CB-CD1 4.15Å; H186-L189 VanDerWaalsContact O-CB 3.25Å; H186-L189 WeakPolarHBondContact O-CB 3.33Å; H186-L189 WeakPolarHBondContact O-CG 3.31Å; H186-L189 PolarHBondContact O-N 3.5Å; R187-L189 PolarHBondContact O-N 2.97Å; R187-L189 VanDerWaalsContact O-N 3.11Å; L189-P191 WeakPolarHBondContact O-CD 3.36Å
190D97.6Very high97.1Very high74 Ų7457.2 Ų57.240%0.39631%0.308SS..  trans-85.1107.7177.6-175.5-2.3000109.7R187 N192 D193R187-D190 PolarHBondContact O-N 3.26Å; D190-N192 PolarHBondContact O-N 2.64Å; D190-N192 VanDerWaalsContact O-N 3.12Å; D190-N192 WeakPolarHBondContact OD1-CB 3.48Å; D190-N192 PolarHBondContact OD1-N 3.45Å; D190-N192 PolarHBondContact OD1-ND2 3.31Å; D190-D193 HydrophobicContact CB-CB 4.04Å; D190-D193 PolarHBondContact O-N 3.03Å
191P96.2Very high97.2Very high91 Ų9157.1 Ų57.159%0.59131%0.308SS*.THydrogen-bonded Turntrans-63.8-19.4-179.728.1-35.5000112.8L189L189-P191 WeakPolarHBondContact O-CD 3.36Å
192N97.8Very high97.2Very high126 Ų12658.3 Ų58.367%0.67431%0.31SS*.THydrogen-bonded Turntrans-89.7-9-178.1-53.3-66.9000113.5D190 N194D190-N192 PolarHBondContact O-N 2.64Å; D190-N192 VanDerWaalsContact O-N 3.12Å; D190-N192 WeakPolarHBondContact OD1-CB 3.48Å; D190-N192 PolarHBondContact OD1-N 3.45Å; D190-N192 PolarHBondContact OD1-ND2 3.31Å; N192-N194 PolarHBondContact O-N 2.89Å; N192-N194 PolarHBondContact O-ND2 3.39Å; N192-N194 VanDerWaalsContact O-ND2 3.14Å
193D97.5Very high97.3Very high21 Ų2163.3 Ų63.311%0.11233%0.333CS..  trans-81.988-178.2-178.712.3000112.6R187 D190 C195 T198 R202R187-D193 WeakPolarHBondContact CB-OD2 3.39Å; R187-D193 IonicContact CZ-OD1 2.68Å; R187-D193 IonicContact CZ-OD2 2.64Å; R187-D193 IonicContact NE-OD2 2.79Å; R187-D193 PolarHBondContact NE-OD2 2.98Å; R187-D193 IonicContact NH2-OD1 3.07Å; R187-D193 PolarHBondContact NH2-OD1 3.09Å; R187-D193 IonicContact NH2-OD2 3.78Å; R187-D193 PolarHBondContact NH2-OD2 3.03Å; D190-D193 HydrophobicContact CB-CB 4.04Å; D190-D193 PolarHBondContact O-N 3.03Å; D193-C195 VanDerWaalsContact C-N 3.28Å; D193-C195 PolarHBondContact O-N 3.21Å; D193-C195 WeakPolarHBondContact OD1-CB 3.27Å; D193-C195 PolarHBondContact OD1-N 3.33Å; D193-T198 HydrophobicContact CB-CG2 4.18Å; D193-T198 WeakPolarHBondContact O-CG2 3.38Å; D193-T198 PolarHBondContact OD2-OG1 3.14Å; D193-R202 PolarHBondContact O-NH2 3.22Å
194N97.3Very high97.4Very high120 Ų12061.6 Ų61.664%0.64232%0.324SS*.  trans-89.422.1-177.9-61.6-59.9000113.9N192N192-N194 PolarHBondContact O-N 2.89Å; N192-N194 PolarHBondContact O-ND2 3.39Å; N192-N194 VanDerWaalsContact O-ND2 3.14Å
195C97.5Very high97.5Very high25 Ų2560.7 Ų60.717%0.16932%0.323CS..  trans-63.8141.917496.20000109.9R187 D193 Q197 T198 V199R187-C195 VanDerWaalsContact CZ-SG 3.56Å; R187-C195 PolarHBondContact NH1-SG 2.99Å; R187-C195 PolarHBondContact NH2-SG 2.85Å; D193-C195 VanDerWaalsContact C-N 3.28Å; D193-C195 PolarHBondContact O-N 3.21Å; D193-C195 WeakPolarHBondContact OD1-CB 3.27Å; D193-C195 PolarHBondContact OD1-N 3.33Å; C195-Q197 PolarHBondContact O-N 3.25Å; C195-Q197 VanDerWaalsContact O-N 3.11Å; C195-Q197 PolarHBondContact SG-OE1 3.04Å; C195-T198 PolarHBondContact O-N 3.2Å; C195-T198 PolarHBondContact SG-N 2.96Å; C195-T198 VanDerWaalsContact SG-N 3.4Å; C195-T198 PolarHBondContact SG-OG1 3.08Å; C195-V199 WeakPolarHBondContact O-CG2 3.22Å; C195-V199 PolarHBondContact O-N 2.89Å
196P98Very high97.7Very high71 Ų7163.5 Ų63.546%0.46133%0.327SS..Hα-helixtrans-52.9-38.3-173.9-31.237.6000114.1E158 V199 G200E158-P196 HydrophobicContact CG-CB 3.52Å; E158-P196 WeakPolarHBondContact OE1-CB 3.41Å; P196-V199 PolarHBondContact O-N 3.38Å; P196-G200 PolarHBondContact O-N 3.05Å
197Q97.8Very high97.9Very high64 Ų6461.1 Ų61.130%0.29932%0.318SS..Hα-helixtrans-64.4-48177.6-58.583.8200112.3K157 E158 W184 C195 V199 G200 I201K157-Q197 HydrophobicContact CB-CB 3.76Å; K157-Q197 HydrophobicContact CB-CG 4.11Å; K157-Q197 HydrophobicContact CG-CB 4.19Å; K157-Q197 HydrophobicContact CG-CG 4.37Å; E158-Q197 HydrophobicContact CG-CG 4.41Å; E158-Q197 PolarHBondContact OE1-NE2 3.21Å; W184-Q197 HydrophobicContact CZ2-CB 3.79Å; W184-Q197 HydrophobicContact CZ2-CG 4.15Å; C195-Q197 PolarHBondContact O-N 3.25Å; C195-Q197 VanDerWaalsContact O-N 3.11Å; C195-Q197 PolarHBondContact SG-OE1 3.04Å; Q197-V199 VanDerWaalsContact C-N 3.32Å; Q197-V199 PolarHBondContact O-N 3.36Å; Q197-G200 PolarHBondContact O-N 3.28Å; Q197-I201 WeakPolarHBondContact O-CG1 3.42Å; Q197-I201 PolarHBondContact O-N 2.9Å
198T98.2Very high97.9Very high0 Ų056.7 Ų56.70%030%0.302CS..Hα-helixtrans-63.8-39.5178.6-59.70000110.9W184 R187 D193 C195 R202W184-T198 VanDerWaalsContact CD1-OG1 3.28Å; R187-T198 HydrophobicContact CB-CG2 4.18Å; D193-T198 HydrophobicContact CB-CG2 4.18Å; D193-T198 WeakPolarHBondContact O-CG2 3.38Å; D193-T198 PolarHBondContact OD2-OG1 3.14Å; C195-T198 PolarHBondContact O-N 3.2Å; C195-T198 PolarHBondContact SG-N 2.96Å; C195-T198 VanDerWaalsContact SG-N 3.4Å; C195-T198 PolarHBondContact SG-OG1 3.08Å; T198-R202 WeakPolarHBondContact O-CG 3.42Å; T198-R202 PolarHBondContact O-N 3.39Å; T198-R202 VanDerWaalsContact O-N 3.07Å
199V98.2Very high98Very high41 Ų4159.5 Ų59.525%0.24833%0.327CS..Hα-helixtrans-64.9-49.6176174.90000110.7C195 P196 Q197 I201 R202 E203C195-V199 WeakPolarHBondContact O-CG2 3.22Å; C195-V199 PolarHBondContact O-N 2.89Å; P196-V199 PolarHBondContact O-N 3.38Å; Q197-V199 VanDerWaalsContact C-N 3.32Å; Q197-V199 PolarHBondContact O-N 3.36Å; V199-I201 VanDerWaalsContact C-N 3.29Å; V199-I201 PolarHBondContact O-N 2.88Å; V199-R202 PolarHBondContact O-N 3.11Å; V199-R202 VanDerWaalsContact O-N 3.1Å; V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact O-CG 3.31Å; V199-E203 PolarHBondContact O-N 3.07Å
200G98.3Very high98Very high3 Ų355.8 Ų55.83%0.03132%0.321CS..Hα-helixtrans-58.5-38.2179.500000113.5P196 Q197 M204P196-G200 PolarHBondContact O-N 3.05Å; Q197-G200 PolarHBondContact O-N 3.28Å; G200-M204 WeakPolarHBondContact O-CB 3.38Å; G200-M204 PolarHBondContact O-N 3.29Å
201I98.5Very high98Very high0 Ų053.9 Ų53.90%031%0.31CS..Hα-helixtrans-69.4-42.4175.3-66.4167.3000111.5K157 Y160 V182 W184 V188 Q197 V199 M204 N205K157-I201 HydrophobicContact CB-CD1 3.88Å; K157-I201 HydrophobicContact CB-CG1 3.95Å; K157-I201 HydrophobicContact CD-CD1 4.3Å; K157-I201 HydrophobicContact CG-CD1 4Å; Y160-I201 HydrophobicContact CD2-CG1 3.85Å; Y160-I201 HydrophobicContact CE2-CG1 4.17Å; V182-I201 VanDerWaalsContact O-CG2 3.31Å; V182-I201 WeakPolarHBondContact O-CG2 3.42Å; W184-I201 HydrophobicContact CB-CD1 3.61Å; W184-I201 HydrophobicContact CD2-CD1 3.43Å; W184-I201 VanDerWaalsContact CD2-CD1 3.43Å; W184-I201 HydrophobicContact CE3-CD1 3.68Å; W184-I201 HydrophobicContact CG-CD1 3.41Å; W184-I201 VanDerWaalsContact CG-CD1 3.41Å; V188-I201 HydrophobicContact CG1-CB 4.28Å; V188-I201 HydrophobicContact CG1-CG2 3.63Å; Q197-I201 WeakPolarHBondContact O-CG1 3.42Å; Q197-I201 PolarHBondContact O-N 2.9Å; V199-I201 VanDerWaalsContact C-N 3.29Å; V199-I201 PolarHBondContact O-N 2.88Å; I201-M204 HydrophobicContact CG2-CE 4.42Å; I201-M204 PolarHBondContact O-N 3.05Å; I201-N205 WeakPolarHBondContact O-CB 3.46Å; I201-N205 PolarHBondContact O-N 3.2Å; I201-N205 PolarHBondContact O-ND2 3.14Å
202R98.5Very high98.1Very high56 Ų5656.1 Ų56.121%0.21132%0.318CS..Hα-helixtrans-61.1-48.3176.3-80.3-170.5-82167.7-8.4111.5V188 D193 T198 V199 M204 N205 E206V188-R202 HydrophobicContact CB-CG 4.13Å; V188-R202 HydrophobicContact CG1-CG 4.36Å; D193-R202 PolarHBondContact O-NH2 3.22Å; T198-R202 WeakPolarHBondContact O-CG 3.42Å; T198-R202 PolarHBondContact O-N 3.39Å; T198-R202 VanDerWaalsContact O-N 3.07Å; V199-R202 PolarHBondContact O-N 3.11Å; V199-R202 VanDerWaalsContact O-N 3.1Å; R202-M204 VanDerWaalsContact C-N 3.31Å; R202-M204 PolarHBondContact O-N 2.94Å; R202-N205 PolarHBondContact O-N 3.25Å; R202-E206 WeakPolarHBondContact O-CB 3.4Å; R202-E206 WeakPolarHBondContact O-CG 3.45Å; R202-E206 PolarHBondContact O-N 2.95Å
203E98.5Very high98Very high105 Ų10554.1 Ų54.149%0.49131%0.313SS..Hα-helixtrans-59-42.1177-71.3-179.1171.900112V199 L207V199-E203 HydrophobicContact CG1-CG 4.28Å; V199-E203 WeakPolarHBondContact O-CG 3.31Å; V199-E203 PolarHBondContact O-N 3.07Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.88Å
204M98.7Very high98.1Very high0 Ų053.6 Ų53.60%031%0.31CS..Hα-helixtrans-66.7-44.6177.4176.5-83.7-6200111.6Y160 S161 I179 V182 G200 I201 R202 E206 L207 I208Y160-M204 HydrophobicContact CD2-CE 3.62Å; Y160-M204 HydrophobicContact CE2-CE 4.35Å; Y160-M204 HydrophobicContact CG-CE 4.47Å; S161-M204 WeakPolarHBondContact OG-CA 3.28Å; S161-M204 PolarHBondContact OG-N 3.1Å; I179-M204 HydrophobicContact CD1-CE 4.46Å; I179-M204 HydrophobicContact CD1-CG 4.47Å; I179-M204 HydrophobicContact CD1-SD 3.75Å; I179-M204 HydrophobicContact CG2-CE 3.91Å; V182-M204 HydrophobicContact CB-CE 4.27Å; V182-M204 HydrophobicContact CG1-CE 3.63Å; G200-M204 WeakPolarHBondContact O-CB 3.38Å; G200-M204 PolarHBondContact O-N 3.29Å; I201-M204 HydrophobicContact CG2-CE 4.42Å; I201-M204 PolarHBondContact O-N 3.05Å; R202-M204 VanDerWaalsContact C-N 3.31Å; R202-M204 PolarHBondContact O-N 2.94Å; M204-E206 PolarHBondContact O-N 3.2Å; M204-L207 WeakPolarHBondContact O-CB 3.23Å; M204-L207 PolarHBondContact O-N 2.94Å; M204-I208 HydrophobicContact CG-CD1 4.16Å; M204-I208 WeakPolarHBondContact O-CG1 3.2Å; M204-I208 PolarHBondContact O-N 3.22Å; M204-I208 HydrophobicContact SD-CD1 3.31Å; M204-I208 WeakPolarHBondContact SD-CD1 3.37Å; M204-I208 HydrophobicContact SD-CG1 4.19Å
205N98.6Very high98.1Very high33 Ų3356.5 Ų56.518%0.17631%0.312CS..Hα-helixtrans-61.5-43176.8-78.2-27000111.6V182 I201 R202 I208 A209V182-N205 PolarHBondContact O-ND2 3.33Å; I201-N205 WeakPolarHBondContact O-CB 3.46Å; I201-N205 PolarHBondContact O-N 3.2Å; I201-N205 PolarHBondContact O-ND2 3.14Å; R202-N205 PolarHBondContact O-N 3.25Å; N205-I208 PolarHBondContact O-N 3.35Å; N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.46Å; N205-A209 PolarHBondContact O-N 2.81Å
206E98.3Very high98.2Very high141 Ų14158.7 Ų58.766%0.65932%0.324SS*.Hα-helixtrans-63.6-43.1175.4-74.3177.9-174.400111.9R202 M204 A209 G210R202-E206 WeakPolarHBondContact O-CB 3.4Å; R202-E206 WeakPolarHBondContact O-CG 3.45Å; R202-E206 PolarHBondContact O-N 2.95Å; M204-E206 PolarHBondContact O-N 3.2Å; E206-A209 PolarHBondContact O-N 3.49Å; E206-G210 PolarHBondContact O-N 3.18Å; E206-G210 VanDerWaalsContact O-N 3.07Å
207L98.5Very high98.2Very high60 Ų6058.5 Ų58.531%0.31433%0.325SS..Hα-helixtrans-58.6-49176.317565.7000111.6Y164 K165 E203 M204 G210 D211Y164-L207 HydrophobicContact CD1-CD2 3.64Å; Y164-L207 HydrophobicContact CD1-CG 4.18Å; Y164-L207 HydrophobicContact CE1-CD2 4.06Å; Y164-L207 HydrophobicContact CE1-CG 4.12Å; K165-L207 HydrophobicContact CD-CD2 4.33Å; K165-L207 VanDerWaalsContact CE-CD2 3.43Å; K165-L207 HydrophobicContact CG-CD2 4.02Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.88Å; M204-L207 WeakPolarHBondContact O-CB 3.23Å; M204-L207 PolarHBondContact O-N 2.94Å; L207-G210 PolarHBondContact O-N 3.38Å; L207-D211 PolarHBondContact O-N 2.52Å
208I98.6Very high98.1Very high4 Ų459.5 Ų59.52%0.02133%0.331CS..Hα-helixtrans-67.2-39.7179.5-64177.1000111Y164 I179 M204 N205 G210 D211 V216 T226 V228Y164-I208 HydrophobicContact CD1-CG1 4.01Å; Y164-I208 HydrophobicContact CD2-CD1 3.85Å; Y164-I208 HydrophobicContact CD2-CG1 4.02Å; Y164-I208 HydrophobicContact CE1-CG1 3.73Å; Y164-I208 HydrophobicContact CE2-CD1 3.89Å; Y164-I208 HydrophobicContact CE2-CG1 3.75Å; Y164-I208 HydrophobicContact CG-CD1 4.19Å; Y164-I208 HydrophobicContact CG-CG1 4.13Å; I179-I208 HydrophobicContact CD1-CD1 3.63Å; M204-I208 HydrophobicContact CG-CD1 4.16Å; M204-I208 WeakPolarHBondContact O-CG1 3.2Å; M204-I208 PolarHBondContact O-N 3.22Å; M204-I208 HydrophobicContact SD-CD1 3.31Å; M204-I208 WeakPolarHBondContact SD-CD1 3.37Å; M204-I208 HydrophobicContact SD-CG1 4.19Å; N205-I208 PolarHBondContact O-N 3.35Å; I208-G210 PolarHBondContact O-N 2.74Å; I208-D211 PolarHBondContact O-N 2.71Å; I208-V216 HydrophobicContact CG2-CB 3.96Å; I208-V216 HydrophobicContact CG2-CG1 4.47Å; I208-V216 HydrophobicContact CG2-CG2 3.58Å; I208-T226 HydrophobicContact CD1-CG2 3.99Å; I208-V228 HydrophobicContact CD1-CG2 4.01Å; I208-V228 HydrophobicContact CG2-CG2 3.94Å
209A98.2Very high98Very high83 Ų8362.3 Ų62.369%0.68635%0.346SS*.Hα-helixtrans-60.9-33.1177.800000112.4N205 E206N205-A209 VanDerWaalsContact O-CB 3.29Å; N205-A209 WeakPolarHBondContact O-CB 3.46Å; N205-A209 PolarHBondContact O-N 2.81Å; E206-A209 PolarHBondContact O-N 3.49Å
210G97.9Very high97.5Very high54 Ų5468.8 Ų68.856%0.55737%0.366SS*.THydrogen-bonded Turntrans-84.1-8.7174.500000115.2E206 L207 I208 N212E206-G210 PolarHBondContact O-N 3.18Å; E206-G210 VanDerWaalsContact O-N 3.07Å; L207-G210 PolarHBondContact O-N 3.38Å; I208-G210 PolarHBondContact O-N 2.74Å; G210-N212 PolarHBondContact O-N 3Å
211D97.8Very high97Very high33 Ų3370.9 Ų70.918%0.17638%0.378CS..  trans-82.8102.9-173.7-168.8-10.5000112.4Y164 L168 L207 I208 C213 V214Y164-D211 PolarHBondContact OH-OD2 3.17Å; L168-D211 WeakPolarHBondContact CD2-OD2 3.48Å; L207-D211 PolarHBondContact O-N 2.52Å; I208-D211 PolarHBondContact O-N 2.71Å; D211-C213 VanDerWaalsContact C-N 3.25Å; D211-C213 PolarHBondContact O-N 3.16Å; D211-C213 WeakPolarHBondContact OD1-CA 3.25Å; D211-C213 WeakPolarHBondContact OD1-CB 3.38Å; D211-C213 PolarHBondContact OD1-N 3.2Å; D211-V214 HydrophobicContact CB-CG2 4Å; D211-V214 WeakPolarHBondContact O-CG2 3.44Å
212N97Very high96.5Very high139 Ų13973.5 Ų73.574%0.74341%0.405SS*.THydrogen-bonded Turntrans-76.3-5.8177.3-70.1-61000114.2G210 V214 K231G210-N212 PolarHBondContact O-N 3Å; N212-V214 VanDerWaalsContact C-N 3.32Å; N212-K231 PolarHBondContact O-NZ 3.35Å
213C96.7Very high96.2Very high84 Ų8472.6 Ų72.657%0.56841%0.405SS*.THydrogen-bonded Turntrans-87.1-1.8177.2-64.30000112.9D211 K231D211-C213 VanDerWaalsContact C-N 3.25Å; D211-C213 PolarHBondContact O-N 3.16Å; D211-C213 WeakPolarHBondContact OD1-CA 3.25Å; D211-C213 WeakPolarHBondContact OD1-CB 3.38Å; D211-C213 PolarHBondContact OD1-N 3.2Å; C213-K231 VanDerWaalsContact O-CB 3.23Å; C213-K231 WeakPolarHBondContact O-CB 3.49Å; C213-K231 VanDerWaalsContact O-CG 3.29Å; C213-K231 WeakPolarHBondContact O-CG 3.42Å; C213-K231 PolarHBondContact O-N 2.93Å
214V98.6Very high96Very high9 Ų967.6 Ų67.66%0.05538%0.381CS..EExtended strand (participates in β ladder)trans-128.5165.4-177.9-54.60000112.9L168 D211 N212 V228 V229 K231L168-V214 HydrophobicContact CD1-CG1 3.59Å; D211-V214 HydrophobicContact CB-CG2 4Å; D211-V214 WeakPolarHBondContact O-CG2 3.44Å; N212-V214 VanDerWaalsContact C-N 3.32Å; V214-V228 HydrophobicContact CB-CG1 3.45Å; V214-V228 VanDerWaalsContact CB-CG1 3.45Å; V214-V228 HydrophobicContact CG1-CG1 3.62Å; V214-V228 HydrophobicContact CG2-CG1 3.71Å; V214-V229 WeakPolarHBondContact CA-O 3.22Å; V214-K231 WeakPolarHBondContact O-CE 3.48Å; V214-K231 PolarHBondContact O-NZ 3.18Å
215R98.5Very high96Very high182 Ų18267.6 Ų67.669%0.68738%0.381SS*.EExtended strand (participates in β ladder)trans-105.2140.5160-55.5177.965.3953.2107.1V228 V229 K231R215-V228 CarbonylContact O-C 3.56Å; R215-V228 WeakPolarHBondContact O-CA 3.33Å; R215-V229 HydrophobicContact CB-CB 4.34Å; R215-V229 PolarHBondContact N-O 3.5Å; R215-V229 PolarHBondContact O-N 3.11Å; R215-K231 HydrophobicContact CG-CG 4.41Å
216V98.3Very high96Very high70 Ų7066.1 Ų66.142%0.42437%0.373SS..EExtended strand (participates in β ladder)trans-131.2147.1-176.460.70000111.5I208 T226 I227 V228I208-V216 HydrophobicContact CG2-CB 3.96Å; I208-V216 HydrophobicContact CG2-CG1 4.47Å; I208-V216 HydrophobicContact CG2-CG2 3.58Å; V216-T226 HydrophobicContact CG2-CG2 3.99Å; V216-I227 CarbonylContact C-O 3.51Å; V216-I227 WeakPolarHBondContact CA-O 3.33Å; V216-V228 HydrophobicContact CG2-CG2 4.37Å
217S98Very high96Very high67 Ų6760.4 Ų60.447%0.46935%0.347SS..EExtended strand (participates in β ladder)trans-136.9123164.1-64.10000108.7T226 I227S217-T226 WeakPolarHBondContact O-CA 3.4Å; S217-I227 PolarHBondContact N-O 3.12Å; S217-I227 PolarHBondContact O-N 3.4Å
218L97.1Very high96Very high85 Ų8557.6 Ų57.645%0.44533%0.332SS..EExtended strand (participates in β ladder)trans-102118171.1-170.6159.1000107.9V182 L183V182-L218 HydrophobicContact CG2-CD1 4.07Å; V182-L218 HydrophobicContact CG2-CD2 4.46Å; V182-L218 HydrophobicContact CG2-CG 3.97Å; L183-L218 HydrophobicContact CD2-CD2 3.88Å; L183-L218 HydrophobicContact CG-CD2 4.35Å
219L94.6Very high96Very high59 Ų5959.6 Ų59.631%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-107.9141.3-172.4-56.4178.3000110.8L61 T221 G224 L225 I227L61-L219 HydrophobicContact CD2-CD1 4.38Å; L219-T221 PolarHBondContact O-N 2.88Å; L219-G224 WeakPolarHBondContact O-CA 3.39Å; L219-L225 PolarHBondContact N-O 3.02Å; L219-L225 PolarHBondContact O-N 2.63Å; L219-L225 VanDerWaalsContact O-N 3.09Å; L219-I227 HydrophobicContact CD1-CD1 3.9Å
220R88.6Confident96.1Very high178 Ų17856.9 Ų56.967%0.67232%0.318SS*.  trans-82.946.8169.4-163.2-168.3177.9-179.40.5111.4L183L183-R220 HydrophobicContact CD1-CG 4.3Å
221T87.7Confident96Very high46 Ų4661.2 Ų61.228%0.28232%0.321SS..SBendtrans-99.6146167.8-51.70000107.3I57 E58 L219 D223 G224I57-T221 HydrophobicContact CG2-CG2 4.43Å; E58-T221 HydrophobicContact CG-CG2 3.43Å; E58-T221 VanDerWaalsContact CG-CG2 3.43Å; L219-T221 PolarHBondContact O-N 2.88Å; T221-D223 PolarHBondContact O-N 3.38Å; T221-G224 VanDerWaalsContact O-CA 3.3Å; T221-G224 WeakPolarHBondContact O-CA 3.29Å; T221-G224 PolarHBondContact O-N 3.47Å
222G87.3Confident96Very high55 Ų5562.7 Ų62.757%0.56733%0.329SS*.THydrogen-bonded Turntrans53.2-133.2-177.400000112.4E58 G224E58-G222 VanDerWaalsContact OE1-CA 3.31Å; E58-G222 WeakPolarHBondContact OE1-CA 3.13Å; E58-G222 PolarHBondContact OE1-N 2.99Å; G222-G224 VanDerWaalsContact C-N 3.27Å
223D93.1Very high95.9Very high37 Ų3758.6 Ų58.620%0.19831%0.307CS..THydrogen-bonded Turntrans-96.130.1171-162.726.4000112.5N181 V182 L183 W184 S185 T221N181-D223 CarbonylContact C-O 3.45Å; N181-D223 VanDerWaalsContact CA-O 3.27Å; N181-D223 WeakPolarHBondContact CA-O 3.07Å; N181-D223 HydrophobicContact CB-CB 4.4Å; V182-D223 PolarHBondContact N-O 3.46Å; L183-D223 WeakPolarHBondContact CA-O 3.47Å; L183-D223 VanDerWaalsContact CB-O 3.31Å; L183-D223 WeakPolarHBondContact CB-O 3.3Å; L183-D223 PolarHBondContact N-O 2.8Å; W184-D223 VanDerWaalsContact CA-OD2 3.26Å; W184-D223 WeakPolarHBondContact CA-OD2 3.43Å; W184-D223 PolarHBondContact N-OD2 2.88Å; S185-D223 VanDerWaalsContact CA-OD1 3.31Å; S185-D223 WeakPolarHBondContact CA-OD1 3.26Å; S185-D223 PolarHBondContact N-OD1 3.29Å; S185-D223 PolarHBondContact N-OD2 2.9Å; S185-D223 PolarHBondContact OG-OD2 3.14Å; T221-D223 PolarHBondContact O-N 3.38Å
224G95Very high95.9Very high0 Ų057.2 Ų57.20%029%0.292CS..  trans97.7124.9-178.200000112.5D180 N181 V182 L219 T221 G222D180-G224 CarbonylContact C-O 3.55Å; N181-G224 PolarHBondContact N-O 2.79Å; V182-G224 WeakPolarHBondContact CG2-O 3.22Å; V182-G224 PolarHBondContact N-O 2.64Å; L219-G224 WeakPolarHBondContact O-CA 3.39Å; T221-G224 VanDerWaalsContact O-CA 3.3Å; T221-G224 WeakPolarHBondContact O-CA 3.29Å; T221-G224 PolarHBondContact O-N 3.47Å; G222-G224 VanDerWaalsContact C-N 3.27Å
225L97.7Very high95.7Very high0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-121.3118.5173.9-178.767.2000110.2E58 L61 L62 A178 L219 I227E58-L225 HydrophobicContact CB-CD2 4.46Å; E58-L225 HydrophobicContact CG-CD2 4.41Å; L61-L225 HydrophobicContact CD2-CD2 4.19Å; L62-L225 HydrophobicContact CD1-CD1 4.36Å; L62-L225 HydrophobicContact CD2-CD2 4.18Å; A178-L225 HydrophobicContact CB-CD1 4.43Å; L219-L225 PolarHBondContact N-O 3.02Å; L219-L225 PolarHBondContact O-N 2.63Å; L219-L225 VanDerWaalsContact O-N 3.09Å; L225-I227 HydrophobicContact CD2-CD1 4.14Å; L225-I227 HydrophobicContact CD2-CG1 4.2Å; L225-I227 HydrophobicContact CG-CG1 4.14Å
226T98.6Very high95.5Very high2 Ų252.4 Ų52.41%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-94.5123.5169.7-76.60000109.6A178 I179 V182 I208 V216 S217 V228A178-T226 CarbonylContact C-O 3.52Å; A178-T226 WeakPolarHBondContact CA-O 3.46Å; I179-T226 HydrophobicContact CD1-CG2 4.49Å; I179-T226 PolarHBondContact N-O 3.16Å; I179-T226 PolarHBondContact O-N 2.79Å; V182-T226 WeakPolarHBondContact CG2-OG1 3.4Å; I208-T226 HydrophobicContact CD1-CG2 3.99Å; V216-T226 HydrophobicContact CG2-CG2 3.99Å; S217-T226 WeakPolarHBondContact O-CA 3.4Å; T226-V228 HydrophobicContact CG2-CG2 3.75Å
227I98.7Very high95.3Very high22 Ų2251.3 Ų51.311%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-110117.1172-59.6175.1000108.2L61 L65 I176 V216 S217 L219 L225L61-I227 HydrophobicContact CD2-CD1 4.25Å; L65-I227 HydrophobicContact CD1-CD1 3.87Å; I176-I227 HydrophobicContact CG2-CG2 3.96Å; V216-I227 CarbonylContact C-O 3.51Å; V216-I227 WeakPolarHBondContact CA-O 3.33Å; S217-I227 PolarHBondContact N-O 3.12Å; S217-I227 PolarHBondContact O-N 3.4Å; L219-I227 HydrophobicContact CD1-CD1 3.9Å; L225-I227 HydrophobicContact CD2-CD1 4.14Å; L225-I227 HydrophobicContact CD2-CG1 4.2Å; L225-I227 HydrophobicContact CG-CG1 4.14Å
228V98.8Very high95.2Very high0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-107.3133.4175.2-176.90000109.1Y164 I176 I177 I208 V214 R215 V216 T226Y164-V228 HydrophobicContact CE2-CG1 4.2Å; Y164-V228 HydrophobicContact CE2-CG2 4.12Å; I176-V228 CarbonylContact C-O 3.35Å; I176-V228 VanDerWaalsContact CA-O 3.27Å; I176-V228 WeakPolarHBondContact CA-O 3.44Å; I177-V228 HydrophobicContact CB-CB 4.21Å; I177-V228 PolarHBondContact N-O 3.23Å; I177-V228 PolarHBondContact O-N 3.05Å; I208-V228 HydrophobicContact CD1-CG2 4.01Å; I208-V228 HydrophobicContact CG2-CG2 3.94Å; V214-V228 HydrophobicContact CB-CG1 3.45Å; V214-V228 VanDerWaalsContact CB-CG1 3.45Å; V214-V228 HydrophobicContact CG1-CG1 3.62Å; V214-V228 HydrophobicContact CG2-CG1 3.71Å; R215-V228 CarbonylContact O-C 3.56Å; R215-V228 WeakPolarHBondContact O-CA 3.33Å; V216-V228 HydrophobicContact CG2-CG2 4.37Å; T226-V228 HydrophobicContact CG2-CG2 3.75Å
229V98.8Very high95Very high47 Ų4747.5 Ų47.529%0.28525%0.245SC..EExtended strand (participates in β ladder)trans-115.3117.6170-172.60000108.2G175 I176 V214 R215G175-V229 WeakPolarHBondContact O-CA 3.29Å; I176-V229 HydrophobicContact CG1-CG2 4.3Å; V214-V229 WeakPolarHBondContact CA-O 3.22Å; R215-V229 HydrophobicContact CB-CB 4.34Å; R215-V229 PolarHBondContact N-O 3.5Å; R215-V229 PolarHBondContact O-N 3.11Å
230K98.7Very high95Very high26 Ų2646.5 Ų46.511%0.11324%0.239CC..EExtended strand (participates in β ladder)trans-65.5134.1176.7-175.1171172.3178.80109.9E146 L168 V171 R174 G175E146-K230 VanDerWaalsContact OE1-CE 3.31Å; E146-K230 WeakPolarHBondContact OE1-CE 3.37Å; E146-K230 IonicContact OE1-NZ 2.69Å; E146-K230 PolarHBondContact OE1-NZ 3.27Å; L168-K230 HydrophobicContact CD1-CB 4.37Å; L168-K230 HydrophobicContact CD1-CD 4.1Å; L168-K230 HydrophobicContact CD1-CG 4.17Å; L168-K230 PolarHBondContact O-NZ 3.14Å; V171-K230 HydrophobicContact CG2-CB 4.35Å; V171-K230 HydrophobicContact CG2-CD 3.98Å; V171-K230 VanDerWaalsContact O-CD 3.29Å; V171-K230 WeakPolarHBondContact O-CD 3.49Å; V171-K230 PolarHBondContact O-NZ 3.07Å; R174-K230 WeakPolarHBondContact CA-O 3.48Å; R174-K230 PolarHBondContact N-O 3.37Å; G175-K230 PolarHBondContact O-N 2.88Å
231K97.6Very high95.6Very high145 Ų14534.5 Ų34.563%0.6320%0.2SC*.  trans-67.90178.4-71.5175.5179.6162.50112.1N212 C213 V214 R215N212-K231 PolarHBondContact O-NZ 3.35Å; C213-K231 VanDerWaalsContact O-CB 3.23Å; C213-K231 WeakPolarHBondContact O-CB 3.49Å; C213-K231 VanDerWaalsContact O-CG 3.29Å; C213-K231 WeakPolarHBondContact O-CG 3.42Å; C213-K231 PolarHBondContact O-N 2.93Å; V214-K231 WeakPolarHBondContact O-CE 3.48Å; V214-K231 PolarHBondContact O-NZ 3.18Å; R215-K231 HydrophobicContact CG-CG 4.41Å

Retrieved 231 of 231 residues in 159.3 ms (Link to these results)

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