A0A087XXY2_POEFO Loading...

Large ribosomal subunit protein uL13m

AlphaFold DB , UniProt , Accession A0A087XXY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M63.2Low91.7Very high240 Ų240128.5 Ų128.5100%1.18265%0.65SS**  0144.10-77.1-155.3-99.100108.3S3M1-S3 PolarHBondContact O-N 3.35Å; M1-S3 VanDerWaalsContact O-N 3.08Å
2S84Confident92.1Very high59 Ų59123.2 Ų123.241%0.41364%0.641SS.*  trans-68.10.4-173.148.90000115.9F4 Q9S2-F4 PolarHBondContact O-N 3.27Å; S2-Q9 PolarHBondContact OG-OE1 3.08Å
3S92.4Very high92.4Very high120 Ų120117.5 Ų117.584%0.83962%0.615SS**  trans55.410.317955.70000116.9M1M1-S3 PolarHBondContact O-N 3.35Å; M1-S3 VanDerWaalsContact O-N 3.08Å
4F94.7Very high92.8Very high142 Ų142115.5 Ų115.562%0.62360%0.599SS**  trans-78.2159.6176.3-61.3-47.4000113S2 Q9S2-F4 PolarHBondContact O-N 3.27Å; F4-Q9 HydrophobicContact CB-CB 4.38Å
5S96.3Very high93.1Very high69 Ų69110.3 Ų110.348%0.48358%0.58SS.*  trans-62.8153169.872.10000110.8S7 A8 Q9S5-S7 VanDerWaalsContact C-N 3.31Å; S5-S7 PolarHBondContact O-N 3.1Å; S5-A8 PolarHBondContact O-N 3.08Å; S5-A8 VanDerWaalsContact OG-CB 3.28Å; S5-A8 WeakPolarHBondContact OG-CB 3.43Å; S5-A8 PolarHBondContact OG-N 3.25Å; S5-Q9 WeakPolarHBondContact O-CB 3.19Å; S5-Q9 PolarHBondContact O-N 3.19Å
6R95.3Very high93.4Very high241 Ų241110.7 Ų110.791%0.90957%0.571SS**Hα-helixtrans-58-42.5-176.4-67.4-176.2180178.70.4112.6Q10R6-Q10 PolarHBondContact O-N 2.94Å; R6-Q10 VanDerWaalsContact O-N 3.13Å
7S96.2Very high93.6Very high83 Ų83106.2 Ų106.258%0.5855%0.552SS**Hα-helixtrans-67.9-46179.952.30000112.2S5 Q9 Q10 W11S5-S7 VanDerWaalsContact C-N 3.31Å; S5-S7 PolarHBondContact O-N 3.1Å; S7-Q9 PolarHBondContact O-N 2.88Å; S7-Q10 PolarHBondContact O-N 3.5Å; S7-W11 WeakPolarHBondContact O-CB 3.35Å; S7-W11 PolarHBondContact O-N 3.27Å
8A96.6Very high93.9Very high47 Ų47103.1 Ų103.139%0.38853%0.532SS..Hα-helixtrans-63.6-43.3179.800000111.4S5 Q10 W11 A12S5-A8 PolarHBondContact O-N 3.08Å; S5-A8 VanDerWaalsContact OG-CB 3.28Å; S5-A8 WeakPolarHBondContact OG-CB 3.43Å; S5-A8 PolarHBondContact OG-N 3.25Å; A8-Q10 PolarHBondContact O-N 2.88Å; A8-W11 PolarHBondContact O-N 3.42Å; A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.18Å
9Q96.6Very high94.1Very high69 Ų6998.3 Ų98.332%0.32251%0.507SS..Hα-helixtrans-61-44.5176.5-177.362.355.200111.4S2 F4 S5 S7 T13S2-Q9 PolarHBondContact OG-OE1 3.08Å; F4-Q9 HydrophobicContact CB-CB 4.38Å; S5-Q9 WeakPolarHBondContact O-CB 3.19Å; S5-Q9 PolarHBondContact O-N 3.19Å; S7-Q9 PolarHBondContact O-N 2.88Å; Q9-T13 PolarHBondContact NE2-OG1 3.41Å; Q9-T13 VanDerWaalsContact NE2-OG1 3.13Å; Q9-T13 WeakPolarHBondContact O-CB 3.49Å; Q9-T13 PolarHBondContact O-N 3.11Å; Q9-T13 PolarHBondContact O-OG1 2.91Å
10Q96.4Very high94.3Very high131 Ų13194.4 Ų94.461%0.61249%0.486SS*.Hα-helixtrans-62.3-48.9177.5-174.5-157.5-5.600111.2R6 S7 A8 A12 T13 F14R6-Q10 PolarHBondContact O-N 2.94Å; R6-Q10 VanDerWaalsContact O-N 3.13Å; S7-Q10 PolarHBondContact O-N 3.5Å; A8-Q10 PolarHBondContact O-N 2.88Å; Q10-A12 PolarHBondContact O-N 3.28Å; Q10-T13 PolarHBondContact O-N 3.29Å; Q10-F14 HydrophobicContact CG-CD2 4.16Å; Q10-F14 HydrophobicContact CG-CE2 4.48Å; Q10-F14 WeakPolarHBondContact O-CD2 3.32Å; Q10-F14 PolarHBondContact O-N 3.29Å; Q10-F14 VanDerWaalsContact O-N 3.11Å
11W97.2Very high94.4Very high212 Ų21290 Ų9080%0.80346%0.464SS*.Hα-helixtrans-57.8-48.7-179.9-178.3-100.2000111.6S7 A8 T13 F14 A15S7-W11 WeakPolarHBondContact O-CB 3.35Å; S7-W11 PolarHBondContact O-N 3.27Å; A8-W11 PolarHBondContact O-N 3.42Å; W11-T13 VanDerWaalsContact C-N 3.31Å; W11-T13 PolarHBondContact O-N 3.36Å; W11-F14 PolarHBondContact O-N 3.12Å; W11-A15 PolarHBondContact O-N 2.89Å
12A96.6Very high96.1Very high65 Ų6579.6 Ų79.654%0.53741%0.413SS..Hα-helixtrans-61.9-39.3178.700000112.2A8 Q10 F14 A15A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.18Å; Q10-A12 PolarHBondContact O-N 3.28Å; A12-F14 PolarHBondContact O-N 3.13Å; A12-A15 WeakPolarHBondContact O-CB 3.48Å; A12-A15 PolarHBondContact O-N 3.25Å
13T96.3Very high96.7Very high50 Ų5076.8 Ų76.831%0.30739%0.393SS..Hα-helixtrans-68.2-35.7-178-53.50000112.3Q9 Q10 W11 I46Q9-T13 PolarHBondContact NE2-OG1 3.41Å; Q9-T13 VanDerWaalsContact NE2-OG1 3.13Å; Q9-T13 WeakPolarHBondContact O-CB 3.49Å; Q9-T13 PolarHBondContact O-N 3.11Å; Q9-T13 PolarHBondContact O-OG1 2.91Å; Q10-T13 PolarHBondContact O-N 3.29Å; W11-T13 VanDerWaalsContact C-N 3.31Å; W11-T13 PolarHBondContact O-N 3.36Å; T13-I46 HydrophobicContact CG2-CD1 4.09Å; T13-I46 HydrophobicContact CG2-CG2 4.08Å; T13-I46 WeakPolarHBondContact O-CD1 3.45Å
14F97.3Very high96.9Very high89 Ų8978.1 Ų78.139%0.3938%0.38SS..THydrogen-bonded Turntrans-10112.4179.5-69.9-84.8000113.6Q10 W11 A12 I46Q10-F14 HydrophobicContact CG-CD2 4.16Å; Q10-F14 HydrophobicContact CG-CE2 4.48Å; Q10-F14 WeakPolarHBondContact O-CD2 3.32Å; Q10-F14 PolarHBondContact O-N 3.29Å; Q10-F14 VanDerWaalsContact O-N 3.11Å; W11-F14 PolarHBondContact O-N 3.12Å; A12-F14 PolarHBondContact O-N 3.13Å; F14-I46 HydrophobicContact CD1-CD1 3.9Å; F14-I46 HydrophobicContact CE1-CD1 3.81Å; F14-I46 HydrophobicContact CG-CD1 4.46Å; F14-I46 HydrophobicContact CZ-CD1 4.3Å
15A97.3Very high97.1Very high37 Ų3775.2 Ų75.231%0.30637%0.369SS..PPolyproline II helixtrans-59.4148.6177.500000111.3W11 A12 K44W11-A15 PolarHBondContact O-N 2.89Å; A12-A15 WeakPolarHBondContact O-CB 3.48Å; A12-A15 PolarHBondContact O-N 3.25Å; A15-K44 PolarHBondContact O-NZ 2.88Å
16R97.6Very high97.1Very high117 Ų11772 Ų7244%0.44235%0.346SS..PPolyproline II helixtrans-99.1124.8175.3-64.3-172.4-172.3149.95.2109.9D52 D55 R124R16-D52 IonicContact CZ-OD2 2.73Å; R16-D52 IonicContact NH2-OD2 3.73Å; R16-D52 PolarHBondContact NH2-OD2 2.84Å; R16-D55 VanDerWaalsContact CA-OD1 3.24Å; R16-D55 WeakPolarHBondContact CA-OD1 3.38Å; R16-R124 VanDerWaalsContact NH2-NH2 3.17Å
17S97.3Very high97.3Very high35 Ų3561.7 Ų61.725%0.24531%0.311CS..PPolyproline II helixtrans-96.4162.8175.8-56.20000110.7D55 H56S17-D55 PolarHBondContact N-OD1 3.35Å; S17-D55 WeakPolarHBondContact O-CB 3.45Å; S17-H56 PolarHBondContact O-N 2.89Å
18W98.2Very high97.3Very high49 Ų4957.9 Ų57.919%0.18628%0.284CS..EExtended strand (participates in β ladder)trans-116.7118.9176.1-7070.8000109.7H56 V58 H126 I137 N140 L141 T142 E143W18-H56 HydrophobicContact CB-CB 4.43Å; W18-H56 HydrophobicContact CD2-CB 3.48Å; W18-H56 VanDerWaalsContact CD2-CB 3.48Å; W18-H56 AromaticContact CD2-CG 3.87Å; W18-H56 AromaticContact CE2-CD2 3.92Å; W18-H56 AromaticContact CE2-CG 3.62Å; W18-H56 AromaticContact CE2-ND1 3.99Å; W18-H56 HydrophobicContact CE3-CB 3.68Å; W18-H56 HydrophobicContact CG-CB 3.83Å; W18-H56 HydrophobicContact CH2-CB 4.42Å; W18-H56 AromaticContact CH2-ND1 3.63Å; W18-H56 HydrophobicContact CZ2-CB 4.27Å; W18-H56 AromaticContact CZ2-CE1 3.88Å; W18-H56 AromaticContact CZ2-CG 3.74Å; W18-H56 AromaticContact CZ2-ND1 3.6Å; W18-H56 HydrophobicContact CZ3-CB 4.15Å; W18-H56 AromaticContact NE1-CD2 3.98Å; W18-V58 HydrophobicContact CE3-CG2 3.88Å; W18-V58 HydrophobicContact CZ3-CG2 4.27Å; W18-H126 AromaticContact CH2-NE2 3.7Å; W18-H126 AromaticContact CZ3-CD2 3.63Å; W18-H126 AromaticContact CZ3-NE2 3.6Å; W18-I137 HydrophobicContact CE3-CG2 4.26Å; W18-I137 HydrophobicContact CZ3-CG1 4.18Å; W18-I137 HydrophobicContact CZ3-CG2 4.05Å; W18-N140 WeakPolarHBondContact CB-O 2.98Å; W18-N140 HydrophobicContact CD2-CB 4.24Å; W18-N140 HydrophobicContact CG-CB 4.3Å; W18-L141 HydrophobicContact CB-CD2 4.35Å; W18-T142 PolarHBondContact N-OG1 2.67Å; W18-T142 VanDerWaalsContact N-OG1 3.11Å; W18-T142 WeakPolarHBondContact O-CB 3.38Å; W18-T142 PolarHBondContact O-N 3.18Å; W18-T142 PolarHBondContact O-OG1 2.71Å; W18-E143 PolarHBondContact O-N 2.89Å
19F98.1Very high97.3Very high13 Ų1357.3 Ų57.36%0.05728%0.283CS..EExtended strand (participates in β ladder)trans-105.2136.5-179.5-63.8-77.8000111.2R38 D55 H56 V58 E143 L145F19-R38 HydrophobicContact CD2-CB 4.32Å; F19-R38 HydrophobicContact CD2-CG 4.02Å; F19-R38 HydrophobicContact CE2-CG 4.15Å; F19-R38 HydrophobicContact CG-CG 4.47Å; F19-D55 HydrophobicContact CD2-CB 3.98Å; F19-D55 HydrophobicContact CE2-CB 3.7Å; F19-H56 PolarHBondContact N-O 3.34Å; F19-V58 PolarHBondContact O-N 2.92Å; F19-E143 CarbonylContact C-O 3.26Å; F19-E143 WeakPolarHBondContact CA-O 3.27Å; F19-E143 HydrophobicContact CD1-CB 4Å; F19-E143 HydrophobicContact CE1-CB 4.12Å; F19-E143 WeakPolarHBondContact CE1-OE2 3.25Å; F19-L145 HydrophobicContact CB-CD1 4.07Å; F19-L145 HydrophobicContact CB-CG 4.26Å; F19-L145 HydrophobicContact CD1-CD1 4.33Å; F19-L145 HydrophobicContact CD1-CD2 3.89Å; F19-L145 HydrophobicContact CD1-CG 4.07Å; F19-L145 HydrophobicContact CE1-CD2 4.37Å; F19-L145 HydrophobicContact CG-CD1 4.34Å; F19-L145 HydrophobicContact CG-CG 4.49Å
20L97.9Very high97.4Very high20 Ų2058.9 Ų58.911%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-99.5138171.1-176.965.2000110.4V58 I60 L133 L141 E143 E144 L145L20-V58 CarbonylContact C-O 3.57Å; L20-V58 WeakPolarHBondContact CA-O 3.42Å; L20-V58 HydrophobicContact CD1-CB 4.2Å; L20-V58 HydrophobicContact CD1-CG1 3.96Å; L20-I60 HydrophobicContact CD1-CD1 4.1Å; L20-I60 HydrophobicContact CD1-CG1 4.04Å; L20-I60 HydrophobicContact CD1-CG2 3.77Å; L20-I60 HydrophobicContact CD2-CD1 4.39Å; L20-I60 HydrophobicContact CG-CD1 4.47Å; L20-L133 HydrophobicContact CD1-CD1 4.27Å; L20-L141 HydrophobicContact CB-CD1 4.39Å; L20-L141 HydrophobicContact CB-CD2 4.21Å; L20-L141 HydrophobicContact CD1-CD1 4.5Å; L20-L141 HydrophobicContact CD2-CD1 4.17Å; L20-E143 PolarHBondContact N-O 3.18Å; L20-E144 HydrophobicContact CB-CB 4.26Å; L20-E144 HydrophobicContact CB-CG 4.2Å; L20-E144 HydrophobicContact CD2-CB 4.49Å; L20-E144 HydrophobicContact CD2-CG 4.14Å; L20-E144 HydrophobicContact CG-CG 4.24Å; L20-L145 PolarHBondContact O-N 2.68Å
21I97.5Very high97.4Very high1 Ų152.6 Ų52.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-133121.9173.3-57.4174.1000109.1I31 M34 V57 V58 V59 I60 L145I21-I31 HydrophobicContact CG2-CG2 4.26Å; I21-M34 HydrophobicContact CD1-CB 4.35Å; I21-V57 HydrophobicContact CD1-CG1 3.69Å; I21-V57 HydrophobicContact CG1-CG1 4.35Å; I21-V58 PolarHBondContact N-O 2.73Å; I21-V59 HydrophobicContact CB-CG2 4.46Å; I21-V59 WeakPolarHBondContact O-CA 3.31Å; I21-I60 PolarHBondContact O-N 3.29Å; I21-L145 HydrophobicContact CD1-CD1 3.96Å; I21-L145 HydrophobicContact CG1-CB 4.17Å; I21-L145 HydrophobicContact CG1-CD1 3.87Å; I21-L145 HydrophobicContact CG1-CG 4.41Å
22D97.8Very high97.5Very high23 Ų2342.5 Ų42.512%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-81.9121.6168.6-175.110.2000111.5R24 I60 N61 Q147D22-R24 VanDerWaalsContact OD1-CB 3.3Å; D22-R24 WeakPolarHBondContact OD1-CB 3.28Å; D22-R24 PolarHBondContact OD1-N 3.25Å; D22-I60 HydrophobicContact CB-CD1 4.3Å; D22-I60 HydrophobicContact CB-CG1 4.25Å; D22-N61 WeakPolarHBondContact OD1-CB 3.13Å; D22-N61 PolarHBondContact OD1-ND2 3.36Å; D22-Q147 PolarHBondContact OD2-NE2 3.2Å
23A97.4Very high97.5Very high0 Ų042.9 Ų42.90%022%0.217CC..  trans-92.11.7179.800000114.1M25 Q26 I31 V59 I60 T62 I65A23-M25 PolarHBondContact O-N 2.96Å; A23-Q26 WeakPolarHBondContact O-CB 3.25Å; A23-Q26 PolarHBondContact O-N 2.82Å; A23-Q26 VanDerWaalsContact O-N 3.12Å; A23-I31 HydrophobicContact CB-CD1 3.52Å; A23-V59 HydrophobicContact CB-CG1 3.85Å; A23-I60 WeakPolarHBondContact CB-O 3.49Å; A23-I60 PolarHBondContact N-O 3.37Å; A23-T62 HydrophobicContact CB-CG2 4.18Å; A23-I65 HydrophobicContact CB-CG2 3.91Å
24R97.5Very high97.6Very high147 Ų14741.7 Ų41.756%0.55521%0.208SC*.THydrogen-bonded Turntrans-62124.8-178-173.3174-179.6174-0.5111.9D22 Q26 N61 H64D22-R24 VanDerWaalsContact OD1-CB 3.3Å; D22-R24 WeakPolarHBondContact OD1-CB 3.28Å; D22-R24 PolarHBondContact OD1-N 3.25Å; R24-Q26 WeakPolarHBondContact O-CG 3.3Å; R24-Q26 PolarHBondContact O-N 2.92Å; R24-N61 HydrophobicContact CB-CB 4.12Å; R24-H64 HydrophobicContact CB-CB 4.45Å; R24-H64 HydrophobicContact CG-CB 4.1Å
25M97.3Very high97.6Very high82 Ų8237.4 Ų37.440%0.40419%0.19SC..THydrogen-bonded Turntrans57.615.9-176.5-66.6-67.9-72.700114.7A23 H64 A66 I151A23-M25 PolarHBondContact O-N 2.96Å; M25-H64 PolarHBondContact N-O 2.99Å; M25-A66 HydrophobicContact SD-CB 4.38Å; M25-I151 HydrophobicContact CB-CD1 3.77Å; M25-I151 HydrophobicContact CB-CG1 3.86Å; M25-I151 HydrophobicContact CB-CG2 4.32Å; M25-I151 HydrophobicContact CG-CD1 4.37Å; M25-I151 HydrophobicContact CG-CG2 4.42Å
26Q97.7Very high97.7Very high0 Ų036.3 Ų36.30%018%0.179CC..  trans-97.8144.6-177.9-64.3-52.3-43.800112A23 R24 I31 A66 Q147 R149A23-Q26 WeakPolarHBondContact O-CB 3.25Å; A23-Q26 PolarHBondContact O-N 2.82Å; A23-Q26 VanDerWaalsContact O-N 3.12Å; R24-Q26 WeakPolarHBondContact O-CG 3.3Å; R24-Q26 PolarHBondContact O-N 2.92Å; Q26-I31 HydrophobicContact CB-CD1 3.71Å; Q26-I31 HydrophobicContact CB-CG1 3.94Å; Q26-A66 PolarHBondContact O-N 2.77Å; Q26-Q147 HydrophobicContact CG-CB 4.48Å; Q26-Q147 HydrophobicContact CG-CG 4.46Å; Q26-R149 PolarHBondContact NE2-O 3.06Å
27P97.7Very high97.7Very high26 Ų2632.7 Ų32.717%0.16917%0.17CC..  trans-76.6130.1175.129-31.4000111.5G29 K30 I31 A66P27-G29 PolarHBondContact O-N 2.81Å; P27-K30 HydrophobicContact CG-CB 4Å; P27-K30 HydrophobicContact CG-CD 3.77Å; P27-K30 HydrophobicContact CG-CG 3.77Å; P27-K30 PolarHBondContact O-N 3.44Å; P27-I31 PolarHBondContact O-N 3.47Å; P27-A66 VanDerWaalsContact CA-O 3.24Å; P27-A66 WeakPolarHBondContact CA-O 3.48Å
28P97.4Very high97.7Very high2 Ų233.5 Ų33.51%0.01317%0.168CC..Hα-helixtrans-56.3-30.7-176.1-29.335.8000114.7A32 I65 F67 I103 V104P28-A32 WeakPolarHBondContact O-CB 3Å; P28-A32 PolarHBondContact O-N 3.05Å; P28-I65 HydrophobicContact CG-CB 4.12Å; P28-I65 HydrophobicContact CG-CD1 3.58Å; P28-I65 HydrophobicContact CG-CG1 4.36Å; P28-I65 HydrophobicContact CG-CG2 4.38Å; P28-F67 HydrophobicContact CB-CE1 4.47Å; P28-F67 HydrophobicContact CG-CD1 4.49Å; P28-F67 HydrophobicContact CG-CE1 3.86Å; P28-F67 HydrophobicContact CG-CZ 3.88Å; P28-I103 HydrophobicContact CB-CG2 3.96Å; P28-I103 HydrophobicContact CG-CG2 3.77Å; P28-V104 HydrophobicContact CB-CG2 4.48Å
29G97Very high97.7Very high36 Ų3631.2 Ų31.237%0.37116%0.159SC..Hα-helixtrans-64.7-45.4177.800000112.9P27 A32 T33P27-G29 PolarHBondContact O-N 2.81Å; G29-A32 PolarHBondContact O-N 3.32Å; G29-T33 PolarHBondContact O-N 3.12Å; G29-T33 PolarHBondContact O-OG1 3.05Å; G29-T33 VanDerWaalsContact O-OG1 3.12Å
30K97.3Very high97.7Very high101 Ų10131.1 Ų31.144%0.43916%0.159SC..Hα-helixtrans-67.6-42.1179.9-68.1-168.7176.3-171.30111.2P27 A32 T33 M34 P148P27-K30 HydrophobicContact CG-CB 4Å; P27-K30 HydrophobicContact CG-CD 3.77Å; P27-K30 HydrophobicContact CG-CG 3.77Å; P27-K30 PolarHBondContact O-N 3.44Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.87Å; K30-T33 PolarHBondContact O-N 3.31Å; K30-M34 PolarHBondContact O-N 3.39Å; K30-M34 VanDerWaalsContact O-N 3.14Å; K30-P148 HydrophobicContact CB-CB 4Å; K30-P148 HydrophobicContact CB-CG 3.76Å; K30-P148 HydrophobicContact CD-CB 4.02Å; K30-P148 HydrophobicContact CD-CG 4.32Å; K30-P148 PolarHBondContact NZ-O 2.91Å; K30-P148 VanDerWaalsContact NZ-O 3.1Å
31I97.7Very high97.7Very high0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-56.7-50.3172.3-59.6167.6000109.6I21 A23 Q26 P27 T33 M34 C35 V59 I65 V104I21-I31 HydrophobicContact CG2-CG2 4.26Å; A23-I31 HydrophobicContact CB-CD1 3.52Å; Q26-I31 HydrophobicContact CB-CD1 3.71Å; Q26-I31 HydrophobicContact CB-CG1 3.94Å; P27-I31 PolarHBondContact O-N 3.47Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 2.82Å; I31-M34 WeakPolarHBondContact O-CB 3.19Å; I31-M34 PolarHBondContact O-N 3.25Å; I31-C35 PolarHBondContact O-N 3.25Å; I31-C35 PolarHBondContact O-SG 2.95Å; I31-V59 HydrophobicContact CG2-CG1 4.16Å; I31-V59 HydrophobicContact CG2-CG2 4.44Å; I31-I65 HydrophobicContact CD1-CG2 4.3Å; I31-V104 HydrophobicContact CG2-CG1 4.33Å
32A98Very high97.6Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-61.3-36.7-177.300000113.2P28 G29 K30 S36 A107 V108 M111P28-A32 WeakPolarHBondContact O-CB 3Å; P28-A32 PolarHBondContact O-N 3.05Å; G29-A32 PolarHBondContact O-N 3.32Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.87Å; A32-S36 WeakPolarHBondContact O-CB 3.34Å; A32-S36 PolarHBondContact O-N 3.31Å; A32-A107 HydrophobicContact CB-CB 3.72Å; A32-V108 HydrophobicContact CB-CG2 3.86Å; A32-M111 HydrophobicContact CB-CG 4.33Å
33T98.1Very high97.6Very high72 Ų7237.6 Ų37.644%0.44219%0.186SC..Hα-helixtrans-62.2-45.2173-59.50000111.4G29 K30 I31 S36 V37G29-T33 PolarHBondContact O-N 3.12Å; G29-T33 PolarHBondContact O-OG1 3.05Å; G29-T33 VanDerWaalsContact O-OG1 3.12Å; K30-T33 PolarHBondContact O-N 3.31Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 2.82Å; T33-S36 PolarHBondContact O-N 2.93Å; T33-S36 PolarHBondContact O-OG 3.16Å; T33-V37 WeakPolarHBondContact O-CG2 3.43Å; T33-V37 PolarHBondContact O-N 3.22Å
34M97.6Very high97.6Very high25 Ų2538.9 Ų38.912%0.12319%0.192CC..Hα-helixtrans-62.1-50.5176.7-68.6176.265.300111I21 K30 I31 S36 V37 R38 L145 P146 P148I21-M34 HydrophobicContact CD1-CB 4.35Å; K30-M34 PolarHBondContact O-N 3.39Å; K30-M34 VanDerWaalsContact O-N 3.14Å; I31-M34 WeakPolarHBondContact O-CB 3.19Å; I31-M34 PolarHBondContact O-N 3.25Å; M34-S36 VanDerWaalsContact C-N 3.35Å; M34-S36 PolarHBondContact O-N 3.03Å; M34-V37 PolarHBondContact O-N 3.15Å; M34-R38 WeakPolarHBondContact O-CD 3.43Å; M34-R38 PolarHBondContact O-N 3.43Å; M34-R38 PolarHBondContact O-NH1 2.95Å; M34-L145 HydrophobicContact CE-CB 3.76Å; M34-L145 HydrophobicContact CE-CD1 4.02Å; M34-L145 HydrophobicContact CE-CG 4.47Å; M34-P146 WeakPolarHBondContact CE-O 3.33Å; M34-P148 HydrophobicContact SD-CB 3.79Å; M34-P148 HydrophobicContact SD-CG 3.89Å
35C97.9Very high97.6Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-56.4-46.7177.9-60.60000111.9I31 V37 R38 L39 V57 V108I31-C35 PolarHBondContact O-N 3.25Å; I31-C35 PolarHBondContact O-SG 2.95Å; C35-V37 VanDerWaalsContact C-N 3.28Å; C35-V37 PolarHBondContact O-N 3.12Å; C35-R38 PolarHBondContact O-N 2.96Å; C35-R38 VanDerWaalsContact O-N 3.15Å; C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 VanDerWaalsContact O-CG 3.26Å; C35-L39 WeakPolarHBondContact O-CG 3.15Å; C35-L39 PolarHBondContact O-N 3.28Å; C35-V57 HydrophobicContact CB-CG1 4.27Å; C35-V108 HydrophobicContact CB-CG1 4.24Å; C35-V108 HydrophobicContact CB-CG2 3.88Å
36S97.9Very high97.6Very high13 Ų1337.4 Ų37.49%0.09120%0.203CC..Hα-helixtrans-63-35.5-174.585.40000112.5A32 T33 M34 Q40A32-S36 WeakPolarHBondContact O-CB 3.34Å; A32-S36 PolarHBondContact O-N 3.31Å; T33-S36 PolarHBondContact O-N 2.93Å; T33-S36 PolarHBondContact O-OG 3.16Å; M34-S36 VanDerWaalsContact C-N 3.35Å; M34-S36 PolarHBondContact O-N 3.03Å; S36-Q40 WeakPolarHBondContact O-CB 3.28Å; S36-Q40 WeakPolarHBondContact O-CG 3.41Å; S36-Q40 PolarHBondContact O-N 3.03Å; S36-Q40 PolarHBondContact O-NE2 3.26Å
37V97.8Very high97.6Very high41 Ų4141.4 Ų41.425%0.24822%0.219CC..Hα-helixtrans-67.6-40.2176.8170.90000111.2T33 M34 C35 G41 K42 H43T33-V37 WeakPolarHBondContact O-CG2 3.43Å; T33-V37 PolarHBondContact O-N 3.22Å; M34-V37 PolarHBondContact O-N 3.15Å; C35-V37 VanDerWaalsContact C-N 3.28Å; C35-V37 PolarHBondContact O-N 3.12Å; V37-G41 PolarHBondContact O-N 3.16Å; V37-K42 HydrophobicContact CG1-CB 3.97Å; V37-K42 PolarHBondContact O-N 3.13Å; V37-H43 HydrophobicContact CG1-CB 4.07Å
38R98Very high97.6Very high53 Ų5345 Ų4520%0.223%0.234CC..Hα-helixtrans-75.7-43.5-179.6-76.978.9179.1167.3-3.7111.9F19 M34 C35 Q40 G41 D55 V57 L145F19-R38 HydrophobicContact CD2-CB 4.32Å; F19-R38 HydrophobicContact CD2-CG 4.02Å; F19-R38 HydrophobicContact CE2-CG 4.15Å; F19-R38 HydrophobicContact CG-CG 4.47Å; M34-R38 WeakPolarHBondContact O-CD 3.43Å; M34-R38 PolarHBondContact O-N 3.43Å; M34-R38 PolarHBondContact O-NH1 2.95Å; C35-R38 PolarHBondContact O-N 2.96Å; C35-R38 VanDerWaalsContact O-N 3.15Å; R38-Q40 PolarHBondContact O-N 3.17Å; R38-G41 PolarHBondContact O-N 3.3Å; R38-D55 PolarHBondContact O-N 3.05Å; R38-D55 VanDerWaalsContact O-N 3.1Å; R38-V57 HydrophobicContact CB-CG2 3.66Å; R38-L145 HydrophobicContact CG-CD1 4.47Å
39L98.1Very high97.5Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-61-31.8176.1-69.3175.7000113C35 G54 V57 V108 L112 M121 R124 L125C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 VanDerWaalsContact O-CG 3.26Å; C35-L39 WeakPolarHBondContact O-CG 3.15Å; C35-L39 PolarHBondContact O-N 3.28Å; L39-G54 VanDerWaalsContact O-CA 3.27Å; L39-G54 WeakPolarHBondContact O-CA 3.42Å; L39-V57 HydrophobicContact CD2-CB 4.24Å; L39-V57 HydrophobicContact CD2-CG2 3.93Å; L39-V57 HydrophobicContact CG-CG2 4.04Å; L39-V108 HydrophobicContact CD1-CG1 3.67Å; L39-L112 HydrophobicContact CB-CD2 4.34Å; L39-L112 HydrophobicContact CD1-CD1 4.44Å; L39-M121 HydrophobicContact CB-CB 4.36Å; L39-R124 HydrophobicContact CD2-CB 4.08Å; L39-L125 HydrophobicContact CD1-CB 4.17Å; L39-L125 HydrophobicContact CD1-CD1 4.39Å; L39-L125 HydrophobicContact CD2-CB 4.29Å
40Q97.8Very high97.5Very high11 Ų1153.4 Ų53.45%0.05128%0.278CS..Hα-helixtrans-82.8-19.1173.7-75.4169.682.700113.2S36 R38 K42 Y47 L112 P113 M121S36-Q40 WeakPolarHBondContact O-CB 3.28Å; S36-Q40 WeakPolarHBondContact O-CG 3.41Å; S36-Q40 PolarHBondContact O-N 3.03Å; S36-Q40 PolarHBondContact O-NE2 3.26Å; R38-Q40 PolarHBondContact O-N 3.17Å; Q40-K42 VanDerWaalsContact C-N 3.34Å; Q40-K42 HydrophobicContact CB-CD 4.46Å; Q40-K42 HydrophobicContact CB-CG 4.04Å; Q40-Y47 HydrophobicContact CB-CE2 4.32Å; Q40-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q40-Y47 VanDerWaalsContact O-CE2 3.25Å; Q40-Y47 WeakPolarHBondContact O-CE2 3.33Å; Q40-L112 HydrophobicContact CG-CD2 4.09Å; Q40-P113 VanDerWaalsContact OE1-CG 3.31Å; Q40-M121 HydrophobicContact CB-CE 4.5Å; Q40-M121 HydrophobicContact CG-CE 3.91Å; Q40-M121 HydrophobicContact CG-SD 3.8Å
41G97.4Very high97.5Very high0 Ų050.9 Ų50.90%027%0.273CS..THydrogen-bonded Turntrans79.612-171.600000114.2V37 R38 H43 K44V37-G41 PolarHBondContact O-N 3.16Å; R38-G41 PolarHBondContact O-N 3.3Å; G41-H43 PolarHBondContact O-N 3.38Å; G41-H43 VanDerWaalsContact O-N 3.11Å; G41-K44 WeakPolarHBondContact O-CB 3.38Å; G41-K44 PolarHBondContact O-N 3.05Å
42K97.4Very high97.5Very high108 Ų10855 Ų5547%0.4730%0.295SS..THydrogen-bonded Turntrans-64.7-14.5-177.4-80.5-175.2174.7-179.80115.1V37 Q40 K44 Y47V37-K42 HydrophobicContact CG1-CB 3.97Å; V37-K42 PolarHBondContact O-N 3.13Å; Q40-K42 VanDerWaalsContact C-N 3.34Å; Q40-K42 HydrophobicContact CB-CD 4.46Å; Q40-K42 HydrophobicContact CB-CG 4.04Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-Y47 HydrophobicContact CG-CD1 4.19Å; K42-Y47 HydrophobicContact CG-CD2 3.91Å; K42-Y47 HydrophobicContact CG-CE1 4.02Å; K42-Y47 HydrophobicContact CG-CE2 3.7Å; K42-Y47 HydrophobicContact CG-CG 4.14Å
43H97.1Very high97.4Very high73 Ų7355.1 Ų55.134%0.33830%0.296SS..THydrogen-bonded Turntrans-79.4-17.6172.365.9-72.9000112.1V37 G41 D55V37-H43 HydrophobicContact CG1-CB 4.07Å; G41-H43 PolarHBondContact O-N 3.38Å; G41-H43 VanDerWaalsContact O-N 3.11Å; H43-D55 IonicContact CE1-OD2 2.89Å; H43-D55 PolarHBondContact CE1-OD2 2.98Å; H43-D55 IonicContact NE2-OD2 2.84Å; H43-D55 PolarHBondContact NE2-OD2 3.14Å
44K97.2Very high97.4Very high27 Ų2751.8 Ų51.812%0.11728%0.276CS..SBendtrans-83.7133.2176-59.7-177.9178.3163.20109.1A15 G41 K42 I46 Y47 C53 D55A15-K44 PolarHBondContact O-NZ 2.88Å; G41-K44 WeakPolarHBondContact O-CB 3.38Å; G41-K44 PolarHBondContact O-N 3.05Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K44-I46 HydrophobicContact CB-CG1 3.74Å; K44-I46 HydrophobicContact CD-CD1 4.4Å; K44-I46 HydrophobicContact CD-CG1 4.45Å; K44-I46 PolarHBondContact O-N 2.84Å; K44-I46 VanDerWaalsContact O-N 3.16Å; K44-Y47 WeakPolarHBondContact O-CB 3.41Å; K44-Y47 PolarHBondContact O-N 3.06Å; K44-Y47 VanDerWaalsContact O-N 3.12Å; K44-C53 PolarHBondContact NZ-O 3.26Å; K44-D55 WeakPolarHBondContact CE-OD2 3.46Å; K44-D55 IonicContact NZ-OD1 2.68Å; K44-D55 PolarHBondContact NZ-OD1 3.29Å; K44-D55 IonicContact NZ-OD2 3.72Å; K44-D55 PolarHBondContact NZ-OD2 2.87Å
45P97.6Very high97.4Very high137 Ų13750.6 Ų50.689%0.8927%0.27SS*.THydrogen-bonded Turntrans-65.4-18.2177.126.9-34.4000112.8Y47P45-Y47 VanDerWaalsContact C-N 3.25Å; P45-Y47 PolarHBondContact O-N 3.45Å
46I97.1Very high97.4Very high60 Ų6051.9 Ų51.931%0.30828%0.276SS..THydrogen-bonded Turntrans-83.18.7176.257.9146.2000114T13 F14 K44 H48 C53T13-I46 HydrophobicContact CG2-CD1 4.09Å; T13-I46 HydrophobicContact CG2-CG2 4.08Å; T13-I46 WeakPolarHBondContact O-CD1 3.45Å; F14-I46 HydrophobicContact CD1-CD1 3.9Å; F14-I46 HydrophobicContact CE1-CD1 3.81Å; F14-I46 HydrophobicContact CG-CD1 4.46Å; F14-I46 HydrophobicContact CZ-CD1 4.3Å; K44-I46 HydrophobicContact CB-CG1 3.74Å; K44-I46 HydrophobicContact CD-CD1 4.4Å; K44-I46 HydrophobicContact CD-CG1 4.45Å; K44-I46 PolarHBondContact O-N 2.84Å; K44-I46 VanDerWaalsContact O-N 3.16Å; I46-H48 PolarHBondContact O-N 3.29Å; I46-C53 HydrophobicContact CD1-CB 4.44Å
47Y97.9Very high97.5Very high85 Ų8551.3 Ų51.333%0.33327%0.272SS..  trans-59.7128.1-175.1169.7-98.4000112.3Q40 K42 K44 P45Q40-Y47 HydrophobicContact CB-CE2 4.32Å; Q40-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q40-Y47 VanDerWaalsContact O-CE2 3.25Å; Q40-Y47 WeakPolarHBondContact O-CE2 3.33Å; K42-Y47 HydrophobicContact CG-CD1 4.19Å; K42-Y47 HydrophobicContact CG-CD2 3.91Å; K42-Y47 HydrophobicContact CG-CE1 4.02Å; K42-Y47 HydrophobicContact CG-CE2 3.7Å; K42-Y47 HydrophobicContact CG-CG 4.14Å; K44-Y47 WeakPolarHBondContact O-CB 3.41Å; K44-Y47 PolarHBondContact O-N 3.06Å; K44-Y47 VanDerWaalsContact O-N 3.12Å; P45-Y47 VanDerWaalsContact C-N 3.25Å; P45-Y47 PolarHBondContact O-N 3.45Å
48H97.8Very high97.5Very high102 Ų10249.3 Ų49.347%0.47226%0.26SS..  trans-144.6140.5166.8-173.4-97.6000109.3I46 L50 S51I46-H48 PolarHBondContact O-N 3.29Å; H48-L50 PolarHBondContact ND1-N 3.45Å; H48-L50 PolarHBondContact O-N 3.27Å; H48-S51 PolarHBondContact O-N 2.95Å; H48-S51 VanDerWaalsContact O-O 3.1Å
49A95.9Very high97.5Very high66 Ų6646.8 Ų46.855%0.54525%0.25SS..THydrogen-bonded Turntrans-64.1-25.7-172.500000114.2
50L96.9Very high97.5Very high148 Ų14847.1 Ų47.178%0.77525%0.252SS*.THydrogen-bonded Turntrans-82.2-17.8174.6-60.8178.2000113.1H48H48-L50 PolarHBondContact ND1-N 3.45Å; H48-L50 PolarHBondContact O-N 3.27Å
51S96.6Very high97.5Very high47 Ų4747.4 Ų47.433%0.32925%0.254SS..SBendtrans-93.7126.6-177.4-60.10000109.7H48 C53H48-S51 PolarHBondContact O-N 2.95Å; H48-S51 VanDerWaalsContact O-O 3.1Å; S51-C53 VanDerWaalsContact C-N 3.25Å; S51-C53 PolarHBondContact O-N 3.3Å; S51-C53 PolarHBondContact O-SG 3.42Å
52D96.6Very high97.5Very high88 Ų8847.4 Ų47.447%0.47125%0.254SS..  trans-79.372.7179.8-173.725.6000112.2R16 R124R16-D52 IonicContact CZ-OD2 2.73Å; R16-D52 IonicContact NH2-OD2 3.73Å; R16-D52 PolarHBondContact NH2-OD2 2.84Å; D52-R124 IonicContact OD1-CZ 3.89Å; D52-R124 IonicContact OD1-NH1 2.73Å; D52-R124 PolarHBondContact OD1-NH1 3.33Å; D52-R124 IonicContact OD1-NH2 2.9Å; D52-R124 PolarHBondContact OD1-NH2 3.4Å; D52-R124 IonicContact OD2-CZ 3.36Å; D52-R124 IonicContact OD2-NH1 3.01Å; D52-R124 IonicContact OD2-NH2 3.06Å; D52-R124 PolarHBondContact OD2-NH2 3.29Å
53C97.3Very high97.5Very high1 Ų147 Ų471%0.00725%0.252CS..  trans-102.17.9-174.357.90000114.2K44 I46 S51K44-C53 PolarHBondContact NZ-O 3.26Å; I46-C53 HydrophobicContact CD1-CB 4.44Å; S51-C53 VanDerWaalsContact C-N 3.25Å; S51-C53 PolarHBondContact O-N 3.3Å; S51-C53 PolarHBondContact O-SG 3.42Å
54G97.3Very high97.5Very high2 Ų247.4 Ų47.42%0.02125%0.254CS..PPolyproline II helixtrans-74.7144.5-178.800000114.1L39 R124L39-G54 VanDerWaalsContact O-CA 3.27Å; L39-G54 WeakPolarHBondContact O-CA 3.42Å; G54-R124 PolarHBondContact O-NH1 2.92Å
55D98.3Very high97.6Very high0 Ų046.6 Ų46.60%025%0.251CS..PPolyproline II helixtrans-100.5172.9-175.2-69.7-46.7000113.9R16 S17 F19 R38 H43 K44R16-D55 VanDerWaalsContact CA-OD1 3.24Å; R16-D55 WeakPolarHBondContact CA-OD1 3.38Å; S17-D55 PolarHBondContact N-OD1 3.35Å; S17-D55 WeakPolarHBondContact O-CB 3.45Å; F19-D55 HydrophobicContact CD2-CB 3.98Å; F19-D55 HydrophobicContact CE2-CB 3.7Å; R38-D55 PolarHBondContact O-N 3.05Å; R38-D55 VanDerWaalsContact O-N 3.1Å; H43-D55 IonicContact CE1-OD2 2.89Å; H43-D55 PolarHBondContact CE1-OD2 2.98Å; H43-D55 IonicContact NE2-OD2 2.84Å; H43-D55 PolarHBondContact NE2-OD2 3.14Å; K44-D55 WeakPolarHBondContact CE-OD2 3.46Å; K44-D55 IonicContact NZ-OD1 2.68Å; K44-D55 PolarHBondContact NZ-OD1 3.29Å; K44-D55 IonicContact NZ-OD2 3.72Å; K44-D55 PolarHBondContact NZ-OD2 2.87Å
56H98.4Very high97.5Very high28 Ų2840.7 Ų40.713%0.1321%0.214CC..EExtended strand (participates in β ladder)trans-85.4137.3172.1-71.2-99.7000110.3S17 W18 F19 R124 H126S17-H56 PolarHBondContact O-N 2.89Å; W18-H56 HydrophobicContact CB-CB 4.43Å; W18-H56 HydrophobicContact CD2-CB 3.48Å; W18-H56 VanDerWaalsContact CD2-CB 3.48Å; W18-H56 AromaticContact CD2-CG 3.87Å; W18-H56 AromaticContact CE2-CD2 3.92Å; W18-H56 AromaticContact CE2-CG 3.62Å; W18-H56 AromaticContact CE2-ND1 3.99Å; W18-H56 HydrophobicContact CE3-CB 3.68Å; W18-H56 HydrophobicContact CG-CB 3.83Å; W18-H56 HydrophobicContact CH2-CB 4.42Å; W18-H56 AromaticContact CH2-ND1 3.63Å; W18-H56 HydrophobicContact CZ2-CB 4.27Å; W18-H56 AromaticContact CZ2-CE1 3.88Å; W18-H56 AromaticContact CZ2-CG 3.74Å; W18-H56 AromaticContact CZ2-ND1 3.6Å; W18-H56 HydrophobicContact CZ3-CB 4.15Å; W18-H56 AromaticContact NE1-CD2 3.98Å; F19-H56 PolarHBondContact N-O 3.34Å; H56-R124 WeakPolarHBondContact CA-O 3.28Å; H56-H126 AromaticContact ND1-NE2 3.25Å; H56-H126 PolarHBondContact ND1-NE2 2.86Å
57V98.3Very high97.6Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-127.5123.2177.9-176.70000108.7I21 C35 R38 L39 V59 R124 L125 H126I21-V57 HydrophobicContact CD1-CG1 3.69Å; I21-V57 HydrophobicContact CG1-CG1 4.35Å; C35-V57 HydrophobicContact CB-CG1 4.27Å; R38-V57 HydrophobicContact CB-CG2 3.66Å; L39-V57 HydrophobicContact CD2-CB 4.24Å; L39-V57 HydrophobicContact CD2-CG2 3.93Å; L39-V57 HydrophobicContact CG-CG2 4.04Å; V57-V59 HydrophobicContact CG1-CG2 4.15Å; V57-R124 PolarHBondContact N-O 2.96Å; V57-R124 VanDerWaalsContact N-O 3.07Å; V57-L125 HydrophobicContact CB-CD1 4.12Å; V57-L125 HydrophobicContact CG1-CD1 4.23Å; V57-L125 WeakPolarHBondContact O-CA 3.32Å; V57-H126 PolarHBondContact O-N 3.37Å
58V98.3Very high97.5Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-107.9122.6177.3-175.80000107.8W18 F19 L20 I21 I60 H126 F128 L133 I137 L141W18-V58 HydrophobicContact CE3-CG2 3.88Å; W18-V58 HydrophobicContact CZ3-CG2 4.27Å; F19-V58 PolarHBondContact O-N 2.92Å; L20-V58 CarbonylContact C-O 3.57Å; L20-V58 WeakPolarHBondContact CA-O 3.42Å; L20-V58 HydrophobicContact CD1-CB 4.2Å; L20-V58 HydrophobicContact CD1-CG1 3.96Å; I21-V58 PolarHBondContact N-O 2.73Å; V58-I60 HydrophobicContact CG1-CG2 4.38Å; V58-H126 CarbonylContact C-O 3.45Å; V58-H126 WeakPolarHBondContact CA-O 3.48Å; V58-H126 HydrophobicContact CG2-CB 4.2Å; V58-F128 HydrophobicContact CG1-CD2 3.93Å; V58-F128 HydrophobicContact CG1-CE2 3.91Å; V58-L133 HydrophobicContact CG1-CD2 3.6Å; V58-I137 HydrophobicContact CG1-CG2 4.25Å; V58-I137 HydrophobicContact CG2-CG2 3.71Å; V58-L141 HydrophobicContact CB-CD2 4.33Å; V58-L141 HydrophobicContact CG2-CD2 3.99Å
59V98.1Very high97.4Very high0 Ų036.3 Ų36.30%022%0.218CC..EExtended strand (participates in β ladder)trans-115.3121.8176.7-170.40000108.8I21 A23 I31 V57 T62 L125 H126 I127 F128I21-V59 HydrophobicContact CB-CG2 4.46Å; I21-V59 WeakPolarHBondContact O-CA 3.31Å; A23-V59 HydrophobicContact CB-CG1 3.85Å; I31-V59 HydrophobicContact CG2-CG1 4.16Å; I31-V59 HydrophobicContact CG2-CG2 4.44Å; V57-V59 HydrophobicContact CG1-CG2 4.15Å; V59-T62 HydrophobicContact CB-CG2 4.25Å; V59-T62 HydrophobicContact CG1-CG2 3.63Å; V59-L125 HydrophobicContact CG2-CD1 4.13Å; V59-H126 PolarHBondContact N-O 2.94Å; V59-I127 WeakPolarHBondContact O-CA 3.33Å; V59-F128 PolarHBondContact O-N 3.1Å
60I97.9Very high97.5Very high7 Ų737.9 Ų37.94%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-107.4167.2178.958.2167.5000111.1L20 I21 D22 A23 V58 T62 F128 D131 L133L20-I60 HydrophobicContact CD1-CD1 4.1Å; L20-I60 HydrophobicContact CD1-CG1 4.04Å; L20-I60 HydrophobicContact CD1-CG2 3.77Å; L20-I60 HydrophobicContact CD2-CD1 4.39Å; L20-I60 HydrophobicContact CG-CD1 4.47Å; I21-I60 PolarHBondContact O-N 3.29Å; D22-I60 HydrophobicContact CB-CD1 4.3Å; D22-I60 HydrophobicContact CB-CG1 4.25Å; A23-I60 WeakPolarHBondContact CB-O 3.49Å; A23-I60 PolarHBondContact N-O 3.37Å; V58-I60 HydrophobicContact CG1-CG2 4.38Å; I60-T62 PolarHBondContact O-N 3.17Å; I60-T62 VanDerWaalsContact O-N 3.16Å; I60-F128 HydrophobicContact CG2-CB 4.38Å; I60-D131 WeakPolarHBondContact CD1-OD1 3.32Å; I60-L133 HydrophobicContact CG2-CD1 4.14Å; I60-L133 HydrophobicContact CG2-CD2 3.73Å; I60-L133 HydrophobicContact CG2-CG 3.99Å
61N97.8Very high97.5Very high16 Ų1635.3 Ų35.39%0.08620%0.2CC..  trans55.431.1177.6-62.2-40.6000114.4D22 R24 K63 H64 F128 P129 E130 D131D22-N61 WeakPolarHBondContact OD1-CB 3.13Å; D22-N61 PolarHBondContact OD1-ND2 3.36Å; R24-N61 HydrophobicContact CB-CB 4.12Å; N61-K63 PolarHBondContact O-N 3.46Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-H64 PolarHBondContact O-N 3.04Å; N61-F128 PolarHBondContact N-O 3.41Å; N61-P129 CarbonylContact C-O 3.56Å; N61-P129 VanDerWaalsContact C-O 3.26Å; N61-P129 VanDerWaalsContact CA-O 3.28Å; N61-P129 WeakPolarHBondContact CA-O 3.46Å; N61-E130 PolarHBondContact N-O 3.38Å; N61-D131 PolarHBondContact OD1-N 3.39Å
62T97.6Very high97.5Very high0 Ų036.3 Ų36.30%020%0.197CC..G310 helixtrans-65.7-18.3-177.667.80000113.6A23 V59 I60 H64 I65 H96 P100 V104 I127 F128 P129A23-T62 HydrophobicContact CB-CG2 4.18Å; V59-T62 HydrophobicContact CB-CG2 4.25Å; V59-T62 HydrophobicContact CG1-CG2 3.63Å; I60-T62 PolarHBondContact O-N 3.17Å; I60-T62 VanDerWaalsContact O-N 3.16Å; T62-H64 PolarHBondContact O-N 3.33Å; T62-I65 WeakPolarHBondContact O-CG1 3.38Å; T62-I65 WeakPolarHBondContact O-CG2 3.24Å; T62-H96 PolarHBondContact O-CE1 3.38Å; T62-H96 VanDerWaalsContact O-CE1 3.28Å; T62-P100 PolarHBondContact OG1-O 2.77Å; T62-V104 HydrophobicContact CG2-CB 4.41Å; T62-V104 HydrophobicContact CG2-CG2 3.99Å; T62-I127 HydrophobicContact CG2-CG2 3.36Å; T62-F128 PolarHBondContact N-O 2.88Å; T62-F128 PolarHBondContact OG1-O 3.44Å; T62-P129 PolarHBondContact N-O 2.84Å; T62-P129 VanDerWaalsContact N-O 3.15Å
63K97.6Very high97.6Very high101 Ų10138.4 Ų38.444%0.43920%0.204SC..G310 helixtrans-64.3-26.4171.9-172.2-176.9175.7-177.30112.6N61 H96 P100 P129 E130N61-K63 PolarHBondContact O-N 3.46Å; N61-K63 VanDerWaalsContact O-N 3.12Å; K63-H96 PolarHBondContact O-NE2 3.02Å; K63-P100 HydrophobicContact CB-CB 4.1Å; K63-P100 HydrophobicContact CG-CB 4.31Å; K63-P129 WeakPolarHBondContact CB-O 3.39Å; K63-P129 PolarHBondContact N-O 3.01Å; K63-E130 WeakPolarHBondContact CD-OE1 3.36Å; K63-E130 WeakPolarHBondContact CE-OE1 3.49Å; K63-E130 IonicContact NZ-OE1 3.53Å; K63-E130 PolarHBondContact NZ-OE1 3.06Å
64H97.8Very high97.6Very high81 Ų8145 Ų4538%0.37524%0.235SC..G310 helixtrans-100.919.9-174.2-61.7-66.9000114R24 M25 N61 T62 E130R24-H64 HydrophobicContact CB-CB 4.45Å; R24-H64 HydrophobicContact CG-CB 4.1Å; M25-H64 PolarHBondContact N-O 2.99Å; N61-H64 PolarHBondContact O-N 3.04Å; T62-H64 PolarHBondContact O-N 3.33Å; H64-E130 IonicContact CD2-OE2 3.35Å; H64-E130 IonicContact NE2-OE2 2.88Å; H64-E130 PolarHBondContact NE2-OE2 2.94Å
65I97.7Very high97.6Very high10 Ų1048.8 Ų48.85%0.05125%0.25CS..  trans-60.7152.2174.556.3171.6000112A23 P28 I31 T62 W72 I103 V104A23-I65 HydrophobicContact CB-CG2 3.91Å; P28-I65 HydrophobicContact CG-CB 4.12Å; P28-I65 HydrophobicContact CG-CD1 3.58Å; P28-I65 HydrophobicContact CG-CG1 4.36Å; P28-I65 HydrophobicContact CG-CG2 4.38Å; I31-I65 HydrophobicContact CD1-CG2 4.3Å; T62-I65 WeakPolarHBondContact O-CG1 3.38Å; T62-I65 WeakPolarHBondContact O-CG2 3.24Å; I65-W72 HydrophobicContact CD1-CH2 4.02Å; I65-W72 HydrophobicContact CG1-CH2 3.99Å; I65-W72 HydrophobicContact CG1-CZ2 4.27Å; I65-I103 HydrophobicContact CD1-CB 4.08Å; I65-I103 HydrophobicContact CD1-CD1 4.28Å; I65-I103 HydrophobicContact CD1-CG2 3.79Å; I65-V104 HydrophobicContact CG2-CG2 4.09Å
66A97.3Very high97.6Very high13 Ų1352.2 Ų52.211%0.10727%0.271CS..  trans-121.9121.2177.800000111.5M25 Q26 P27M25-A66 HydrophobicContact SD-CB 4.38Å; Q26-A66 PolarHBondContact O-N 2.77Å; P27-A66 VanDerWaalsContact CA-O 3.24Å; P27-A66 WeakPolarHBondContact CA-O 3.48Å
67F97.4Very high97.6Very high28 Ų2852.7 Ų52.712%0.12327%0.272CS..  trans-82.1153.7165.2-81.6-60.6000112.1P28 K71 W72 K75 A92 I103P28-F67 HydrophobicContact CB-CE1 4.47Å; P28-F67 HydrophobicContact CG-CD1 4.49Å; P28-F67 HydrophobicContact CG-CE1 3.86Å; P28-F67 HydrophobicContact CG-CZ 3.88Å; F67-K71 HydrophobicContact CB-CB 4Å; F67-K71 HydrophobicContact CD1-CB 4.21Å; F67-K71 HydrophobicContact CD1-CD 4.18Å; F67-K71 HydrophobicContact CG-CB 4.05Å; F67-W72 AromaticContact CD2-CD2 3.64Å; F67-W72 HydrophobicContact CD2-CD2 3.64Å; F67-W72 AromaticContact CD2-CE2 3.61Å; F67-W72 AromaticContact CD2-CE3 3.79Å; F67-W72 HydrophobicContact CD2-CE3 3.79Å; F67-W72 HydrophobicContact CD2-CG 4.25Å; F67-W72 AromaticContact CD2-CH2 3.94Å; F67-W72 HydrophobicContact CD2-CH2 3.94Å; F67-W72 AromaticContact CD2-CZ2 3.78Å; F67-W72 HydrophobicContact CD2-CZ2 3.78Å; F67-W72 AromaticContact CD2-CZ3 3.93Å; F67-W72 HydrophobicContact CD2-CZ3 3.93Å; F67-W72 HydrophobicContact CE2-CD2 4.4Å; F67-W72 HydrophobicContact CE2-CE3 4.1Å; F67-W72 HydrophobicContact CE2-CH2 4.11Å; F67-W72 HydrophobicContact CE2-CZ2 4.4Å; F67-W72 AromaticContact CE2-CZ3 3.94Å; F67-W72 HydrophobicContact CE2-CZ3 3.94Å; F67-K75 HydrophobicContact CZ-CD 4.35Å; F67-A92 HydrophobicContact CE2-CB 4.03Å; F67-I103 HydrophobicContact CE2-CD1 4.06Å; F67-I103 HydrophobicContact CE2-CG2 4.07Å; F67-I103 HydrophobicContact CZ-CG2 3.63Å
68S95.8Very high97.5Very high65 Ų6556.4 Ų56.446%0.45530%0.298SS..SBendtrans-85.6140.6169.266.20000110.6K71S68-K71 WeakPolarHBondContact O-CD 3.35Å; S68-K71 WeakPolarHBondContact O-CG 3.35Å; S68-K71 PolarHBondContact OG-NZ 2.84Å
69G96.3Very high97.5Very high62 Ų6259.7 Ų59.764%0.63932%0.321SS*.THydrogen-bonded Turntrans59-152.9178.400000112.8K71G69-K71 PolarHBondContact O-N 2.84Å; G69-K71 VanDerWaalsContact O-N 3.17Å
70N97.5Very high97.5Very high98 Ų9865 Ų6552%0.52435%0.346SS..THydrogen-bonded Turntrans-89.825.7-171.3-57.629.4000112.8W72 E73 Q74N70-W72 PolarHBondContact O-N 2.98Å; N70-W72 VanDerWaalsContact O-N 3.16Å; N70-E73 PolarHBondContact O-N 3.26Å; N70-E73 VanDerWaalsContact O-N 3.13Å; N70-Q74 HydrophobicContact CB-CG 4.26Å; N70-Q74 WeakPolarHBondContact O-CB 3.38Å; N70-Q74 WeakPolarHBondContact O-CG 3.49Å; N70-Q74 PolarHBondContact O-N 2.84Å
71K97.6Very high97.4Very high94 Ų9468.2 Ų68.241%0.40937%0.366SS..Hα-helixtrans-64-22-176-70.5174.7-177167.50113.1F67 S68 G69 E73 K75F67-K71 HydrophobicContact CB-CB 4Å; F67-K71 HydrophobicContact CD1-CB 4.21Å; F67-K71 HydrophobicContact CD1-CD 4.18Å; F67-K71 HydrophobicContact CG-CB 4.05Å; S68-K71 WeakPolarHBondContact O-CD 3.35Å; S68-K71 WeakPolarHBondContact O-CG 3.35Å; S68-K71 PolarHBondContact OG-NZ 2.84Å; G69-K71 PolarHBondContact O-N 2.84Å; G69-K71 VanDerWaalsContact O-N 3.17Å; K71-E73 PolarHBondContact O-N 2.99Å; K71-K75 HydrophobicContact CB-CB 4.43Å; K71-K75 WeakPolarHBondContact O-CB 3.33Å; K71-K75 PolarHBondContact O-N 3.38Å
72W97.7Very high97.4Very high68 Ų6870.4 Ų70.426%0.25839%0.392SS..Hα-helixtrans-58-38.7174.2-78.4120000112.6I65 F67 N70 A92 A93 H96 I103I65-W72 HydrophobicContact CD1-CH2 4.02Å; I65-W72 HydrophobicContact CG1-CH2 3.99Å; I65-W72 HydrophobicContact CG1-CZ2 4.27Å; F67-W72 AromaticContact CD2-CD2 3.64Å; F67-W72 HydrophobicContact CD2-CD2 3.64Å; F67-W72 AromaticContact CD2-CE2 3.61Å; F67-W72 AromaticContact CD2-CE3 3.79Å; F67-W72 HydrophobicContact CD2-CE3 3.79Å; F67-W72 HydrophobicContact CD2-CG 4.25Å; F67-W72 AromaticContact CD2-CH2 3.94Å; F67-W72 HydrophobicContact CD2-CH2 3.94Å; F67-W72 AromaticContact CD2-CZ2 3.78Å; F67-W72 HydrophobicContact CD2-CZ2 3.78Å; F67-W72 AromaticContact CD2-CZ3 3.93Å; F67-W72 HydrophobicContact CD2-CZ3 3.93Å; F67-W72 HydrophobicContact CE2-CD2 4.4Å; F67-W72 HydrophobicContact CE2-CE3 4.1Å; F67-W72 HydrophobicContact CE2-CH2 4.11Å; F67-W72 HydrophobicContact CE2-CZ2 4.4Å; F67-W72 AromaticContact CE2-CZ3 3.94Å; F67-W72 HydrophobicContact CE2-CZ3 3.94Å; N70-W72 PolarHBondContact O-N 2.98Å; N70-W72 VanDerWaalsContact O-N 3.16Å; W72-A92 HydrophobicContact CE3-CB 4.04Å; W72-A92 HydrophobicContact CZ3-CB 4.44Å; W72-A93 HydrophobicContact CE3-CB 4.31Å; W72-A93 PolarHBondContact O-N 3.28Å; W72-H96 HydrophobicContact CH2-CB 4.2Å; W72-H96 AromaticContact CH2-CD2 3.72Å; W72-H96 AromaticContact CH2-CG 3.79Å; W72-H96 HydrophobicContact CZ3-CB 3.69Å; W72-H96 AromaticContact CZ3-CG 3.81Å; W72-I103 HydrophobicContact CH2-CD1 4.35Å; W72-I103 HydrophobicContact CZ3-CD1 3.83Å
73E97.3Very high97.4Very high132 Ų13277.5 Ų77.562%0.61742%0.423SS*.Hα-helixtrans-94.2-41.6-178.5-66150.5-167.700111.3N70 K71 T91N70-E73 PolarHBondContact O-N 3.26Å; N70-E73 VanDerWaalsContact O-N 3.13Å; K71-E73 PolarHBondContact O-N 2.99Å; E73-T91 WeakPolarHBondContact O-CG2 3.17Å
74Q97.6Very high97.4Very high141 Ų14179 Ų7966%0.65944%0.444SS*.Hα-helixtrans-80.1-30.2-172.8-66.4177-19.500113.6N70 V76N70-Q74 HydrophobicContact CB-CG 4.26Å; N70-Q74 WeakPolarHBondContact O-CB 3.38Å; N70-Q74 WeakPolarHBondContact O-CG 3.49Å; N70-Q74 PolarHBondContact O-N 2.84Å; Q74-V76 PolarHBondContact O-N 2.95Å
75K97.8Very high97.3Very high80 Ų8079.2 Ų79.235%0.34847%0.467SS..  trans-80.6117.4-176.1-169.8176.3-178.6-175.50109.8F67 K71 Y77 T91 A92F67-K75 HydrophobicContact CZ-CD 4.35Å; K71-K75 HydrophobicContact CB-CB 4.43Å; K71-K75 WeakPolarHBondContact O-CB 3.33Å; K71-K75 PolarHBondContact O-N 3.38Å; K75-Y77 HydrophobicContact CD-CE2 4.29Å; K75-Y77 WeakPolarHBondContact CE-OH 3.01Å; K75-Y77 HydrophobicContact CG-CE2 4.34Å; K75-Y77 PolarHBondContact NZ-OH 2.83Å; K75-T91 CarbonylContact O-C 3.49Å; K75-T91 WeakPolarHBondContact O-CA 3.49Å; K75-A92 HydrophobicContact CB-CB 4.18Å; K75-A92 PolarHBondContact O-N 3.47Å
76V97.8Very high97.2Very high73 Ų7379.1 Ų79.144%0.44247%0.468SS..EExtended strand (participates in β ladder)trans-104.5134.8179.5-1790000110.5Q74 Q89 V90Q74-V76 PolarHBondContact O-N 2.95Å; V76-Q89 HydrophobicContact CG1-CB 3.71Å; V76-Q89 HydrophobicContact CG1-CG 3.85Å; V76-V90 CarbonylContact C-O 3.59Å; V76-V90 WeakPolarHBondContact CA-O 3.32Å
77Y97.9Very high97.2Very high37 Ų3784.1 Ų84.115%0.14549%0.488CS..EExtended strand (participates in β ladder)trans-102.5117.3168.3-69-90.9000108.6K75 V90 A92 L95 I103 L106K75-Y77 HydrophobicContact CD-CE2 4.29Å; K75-Y77 WeakPolarHBondContact CE-OH 3.01Å; K75-Y77 HydrophobicContact CG-CE2 4.34Å; K75-Y77 PolarHBondContact NZ-OH 2.83Å; Y77-V90 PolarHBondContact N-O 3.33Å; Y77-V90 PolarHBondContact O-N 3Å; Y77-A92 HydrophobicContact CD2-CB 4.48Å; Y77-A92 HydrophobicContact CE2-CB 3.9Å; Y77-L95 HydrophobicContact CD1-CD2 3.93Å; Y77-L95 HydrophobicContact CD2-CB 4.46Å; Y77-L95 HydrophobicContact CD2-CD2 3.55Å; Y77-L95 HydrophobicContact CE1-CD2 4.23Å; Y77-L95 HydrophobicContact CE2-CD2 3.9Å; Y77-L95 HydrophobicContact CG-CD2 3.57Å; Y77-I103 HydrophobicContact CE2-CG1 4.33Å; Y77-L106 HydrophobicContact CD1-CD1 3.62Å; Y77-L106 HydrophobicContact CE1-CB 4.32Å; Y77-L106 HydrophobicContact CE1-CD1 3.69Å
78S97.8Very high97.2Very high79 Ų7988.7 Ų88.755%0.55251%0.508SS*.EExtended strand (participates in β ladder)trans-103.4145.6178.255.70000111.5K88S78-K88 CarbonylContact C-O 3.56Å; S78-K88 VanDerWaalsContact CA-O 3.3Å; S78-K88 WeakPolarHBondContact CA-O 3.35Å
79S97.1Very high97.3Very high69 Ų6991.3 Ų91.348%0.48351%0.513SS..EExtended strand (participates in β ladder)trans-149161.3174.159.20000110.2K88S79-K88 PolarHBondContact N-O 2.94Å; S79-K88 PolarHBondContact O-N 3.34Å
80H97.8Very high97.4Very high112 Ų11291 Ų9152%0.51950%0.498SS..EExtended strand (participates in β ladder)trans-132.6136177.1-166.7-93.9000109.2G82 F83 G86H80-G82 PolarHBondContact CE1-N 3.11Å; H80-G82 WeakPolarHBondContact ND1-CA 3.43Å; H80-G82 PolarHBondContact ND1-N 3.48Å; H80-F83 PolarHBondContact CE1-O 3.36Å; H80-F83 VanDerWaalsContact CE1-O 3.29Å; H80-F83 PolarHBondContact NE2-O 3.01Å; H80-G86 WeakPolarHBondContact CA-O 3.47Å
81T96.6Very high97.4Very high73 Ų7387.9 Ų87.945%0.44848%0.483SS..  trans-80.9-20.1-179.459.30000113.5G86T81-G86 PolarHBondContact N-O 3.14Å; T81-G86 VanDerWaalsContact N-O 3.12Å; T81-G86 VanDerWaalsContact OG1-CA 3.29Å; T81-G86 WeakPolarHBondContact OG1-CA 3.49Å
82G97.3Very high97.4Very high62 Ų6283.4 Ų83.464%0.63946%0.464SS*.SBendtrans105.4-14.7-175.100000113.8H80H80-G82 PolarHBondContact CE1-N 3.11Å; H80-G82 WeakPolarHBondContact ND1-CA 3.43Å; H80-G82 PolarHBondContact ND1-N 3.48Å
83F97.4Very high97.4Very high149 Ų14981.9 Ų81.965%0.65447%0.465SS*.SBendtrans-95155178.7-61.5-84.9000112.1H80 G85 G86H80-F83 PolarHBondContact CE1-O 3.36Å; H80-F83 VanDerWaalsContact CE1-O 3.29Å; H80-F83 PolarHBondContact NE2-O 3.01Å; F83-G85 PolarHBondContact O-N 2.96Å; F83-G86 WeakPolarHBondContact O-CA 3.45Å; F83-G86 PolarHBondContact O-N 2.88Å
84P97.4Very high97.5Very high134 Ų13480.8 Ų80.887%0.8746%0.46SS*.THydrogen-bonded Turntrans-54.2133.5170.8-24.334.4000111.6G86P84-G86 PolarHBondContact O-N 3.05Å
85G95.7Very high97.5Very high84 Ų8475.3 Ų75.387%0.86644%0.436SS*.THydrogen-bonded Turntrans72.86.5-17400000114.7F83 F87F83-G85 PolarHBondContact O-N 2.96Å; G85-F87 PolarHBondContact O-N 3.3Å
86G96.8Very high97.5Very high8 Ų872.7 Ų72.78%0.08242%0.424CS..  trans-808.7-176.500000116H80 T81 F83 P84H80-G86 WeakPolarHBondContact CA-O 3.47Å; T81-G86 PolarHBondContact N-O 3.14Å; T81-G86 VanDerWaalsContact N-O 3.12Å; T81-G86 VanDerWaalsContact OG1-CA 3.29Å; T81-G86 WeakPolarHBondContact OG1-CA 3.49Å; F83-G86 WeakPolarHBondContact O-CA 3.45Å; F83-G86 PolarHBondContact O-N 2.88Å; P84-G86 PolarHBondContact O-N 3.05Å
87F97.8Very high97.5Very high118 Ų11876.4 Ų76.452%0.51844%0.441SS..EExtended strand (participates in β ladder)trans-75.5126.8178.7-176.1-114.3000110.7G85 Q89G85-F87 PolarHBondContact O-N 3.3Å; F87-Q89 HydrophobicContact CD1-CG 4.33Å; F87-Q89 HydrophobicContact CE1-CG 3.46Å; F87-Q89 VanDerWaalsContact CE1-CG 3.46Å; F87-Q89 HydrophobicContact CE2-CG 4.46Å; F87-Q89 HydrophobicContact CZ-CG 3.55Å; F87-Q89 VanDerWaalsContact CZ-NE2 3.27Å
88K96.9Very high97.5Very high124 Ų12483.6 Ų83.654%0.53947%0.473SS..EExtended strand (participates in β ladder)trans-125.3134.9179.4-63.6-176-178.7-1770109.8S78 S79S78-K88 CarbonylContact C-O 3.56Å; S78-K88 VanDerWaalsContact CA-O 3.3Å; S78-K88 WeakPolarHBondContact CA-O 3.35Å; S79-K88 PolarHBondContact N-O 2.94Å; S79-K88 PolarHBondContact O-N 3.34Å
89Q97.6Very high97.4Very high121 Ų12182.3 Ų82.357%0.56546%0.46SS*.EExtended strand (participates in β ladder)trans-125.8131.9172.3-77.8-179.6-2500108.9V76 F87V76-Q89 HydrophobicContact CG1-CB 3.71Å; V76-Q89 HydrophobicContact CG1-CG 3.85Å; F87-Q89 HydrophobicContact CD1-CG 4.33Å; F87-Q89 HydrophobicContact CE1-CG 3.46Å; F87-Q89 VanDerWaalsContact CE1-CG 3.46Å; F87-Q89 HydrophobicContact CE2-CG 4.46Å; F87-Q89 HydrophobicContact CZ-CG 3.55Å; F87-Q89 VanDerWaalsContact CZ-NE2 3.27Å
90V97.8Very high97.4Very high54 Ų5480.6 Ų80.633%0.32745%0.447SS..EExtended strand (participates in β ladder)trans-134.2143.1175.7-650000109.3V76 Y77 Q94 L95V76-V90 CarbonylContact C-O 3.59Å; V76-V90 WeakPolarHBondContact CA-O 3.32Å; Y77-V90 PolarHBondContact N-O 3.33Å; Y77-V90 PolarHBondContact O-N 3Å; V90-Q94 HydrophobicContact CB-CB 4.3Å; V90-L95 HydrophobicContact CG2-CB 4.12Å; V90-L95 HydrophobicContact CG2-CD1 4.47Å
91T98.3Very high97.4Very high34 Ų3478.5 Ų78.521%0.20944%0.436CS..EExtended strand (participates in β ladder)trans-72162.7173.9640000110.7E73 K75 A93 Q94 L95E73-T91 WeakPolarHBondContact O-CG2 3.17Å; K75-T91 CarbonylContact O-C 3.49Å; K75-T91 WeakPolarHBondContact O-CA 3.49Å; T91-A93 PolarHBondContact O-N 3.25Å; T91-Q94 PolarHBondContact O-N 3.37Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.35Å; T91-Q94 PolarHBondContact OG1-N 2.84Å; T91-L95 WeakPolarHBondContact O-CB 3.49Å; T91-L95 PolarHBondContact O-N 3.21Å
92A97.8Very high97.5Very high0 Ų075.1 Ų75.10%042%0.416CS..Hα-helixtrans-57-40.6174.400000111.5F67 W72 K75 Y77 L95 H96 I103F67-A92 HydrophobicContact CE2-CB 4.03Å; W72-A92 HydrophobicContact CE3-CB 4.04Å; W72-A92 HydrophobicContact CZ3-CB 4.44Å; K75-A92 HydrophobicContact CB-CB 4.18Å; K75-A92 PolarHBondContact O-N 3.47Å; Y77-A92 HydrophobicContact CD2-CB 4.48Å; Y77-A92 HydrophobicContact CE2-CB 3.9Å; A92-L95 PolarHBondContact O-N 3.12Å; A92-H96 VanDerWaalsContact O-CB 3.28Å; A92-H96 WeakPolarHBondContact O-CB 3.49Å; A92-H96 PolarHBondContact O-N 2.91Å; A92-I103 HydrophobicContact CB-CD1 4.28Å
93A97.9Very high97.5Very high35 Ų3572.1 Ų72.129%0.28939%0.385SS..Hα-helixtrans-60.7-48.6176.500000112.1W72 T91 L95 H96 L97W72-A93 HydrophobicContact CE3-CB 4.31Å; W72-A93 PolarHBondContact O-N 3.28Å; T91-A93 PolarHBondContact O-N 3.25Å; A93-L95 PolarHBondContact O-N 3.07Å; A93-H96 PolarHBondContact O-N 3.21Å; A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 2.84Å
94Q97.9Very high97.5Very high109 Ų10965 Ų6551%0.50935%0.354SS..Hα-helixtrans-62.4-42.2178.5-71.4170.8-4.200112.2V90 T91 H96 K98V90-Q94 HydrophobicContact CB-CB 4.3Å; T91-Q94 PolarHBondContact O-N 3.37Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.35Å; T91-Q94 PolarHBondContact OG1-N 2.84Å; Q94-H96 VanDerWaalsContact C-N 3.33Å; Q94-K98 PolarHBondContact O-N 2.93Å
95L97.9Very high97.6Very high27 Ų2764 Ų6414%0.14133%0.333CS..Hα-helixtrans-63.5-41.5177.4-178.361.8000111.4Y77 V90 T91 A92 A93 K98 D99 A102 I103 L106Y77-L95 HydrophobicContact CD1-CD2 3.93Å; Y77-L95 HydrophobicContact CD2-CB 4.46Å; Y77-L95 HydrophobicContact CD2-CD2 3.55Å; Y77-L95 HydrophobicContact CE1-CD2 4.23Å; Y77-L95 HydrophobicContact CE2-CD2 3.9Å; Y77-L95 HydrophobicContact CG-CD2 3.57Å; V90-L95 HydrophobicContact CG2-CB 4.12Å; V90-L95 HydrophobicContact CG2-CD1 4.47Å; T91-L95 WeakPolarHBondContact O-CB 3.49Å; T91-L95 PolarHBondContact O-N 3.21Å; A92-L95 PolarHBondContact O-N 3.12Å; A93-L95 PolarHBondContact O-N 3.07Å; L95-K98 PolarHBondContact O-N 2.9Å; L95-D99 PolarHBondContact O-N 3.33Å; L95-A102 HydrophobicContact CD1-CB 3.91Å; L95-A102 HydrophobicContact CD2-CB 4.05Å; L95-A102 HydrophobicContact CG-CB 3.9Å; L95-I103 HydrophobicContact CD2-CG1 4.11Å; L95-I103 HydrophobicContact CG-CG1 4.45Å; L95-L106 HydrophobicContact CD2-CD1 4.01Å
96H97.8Very high97.7Very high24 Ų2463.2 Ų63.211%0.11131%0.308CS..Hα-helixtrans-68.3-38.9-177.6-164.860.6000113.4T62 K63 W72 A92 A93 Q94 K98 D99 P100 I103T62-H96 PolarHBondContact O-CE1 3.38Å; T62-H96 VanDerWaalsContact O-CE1 3.28Å; K63-H96 PolarHBondContact O-NE2 3.02Å; W72-H96 HydrophobicContact CH2-CB 4.2Å; W72-H96 AromaticContact CH2-CD2 3.72Å; W72-H96 AromaticContact CH2-CG 3.79Å; W72-H96 HydrophobicContact CZ3-CB 3.69Å; W72-H96 AromaticContact CZ3-CG 3.81Å; A92-H96 VanDerWaalsContact O-CB 3.28Å; A92-H96 WeakPolarHBondContact O-CB 3.49Å; A92-H96 PolarHBondContact O-N 2.91Å; A93-H96 PolarHBondContact O-N 3.21Å; Q94-H96 VanDerWaalsContact C-N 3.33Å; H96-K98 VanDerWaalsContact C-N 3.27Å; H96-K98 PolarHBondContact O-N 2.99Å; H96-D99 CarbonylContact O-C 3.54Å; H96-P100 WeakPolarHBondContact O-CA 3.35Å; H96-I103 HydrophobicContact CB-CD1 3.75Å
97L97.6Very high97.7Very high152 Ų15263.9 Ų63.980%0.79631%0.313SS*.Hα-helixtrans-63.1-36.1174.2-71.6172.2000111.9A93A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 2.84Å
98K97.3Very high97.8Very high188 Ų18858.2 Ų58.282%0.81729%0.288SS*.Hα-helixtrans-79-45.9179.4-176.7178.4179.2178.10112.9Q94 L95 H96Q94-K98 PolarHBondContact O-N 2.93Å; L95-K98 PolarHBondContact O-N 2.9Å; H96-K98 VanDerWaalsContact C-N 3.27Å; H96-K98 PolarHBondContact O-N 2.99Å
99D97.5Very high97.8Very high52 Ų5254.9 Ų54.928%0.27827%0.273SS..  trans-140.798.6179.7179.2-0.3000109.4L95 H96 K101 A102L95-D99 PolarHBondContact O-N 3.33Å; H96-D99 CarbonylContact O-C 3.54Å; D99-K101 PolarHBondContact O-N 3.39Å; D99-K101 WeakPolarHBondContact OD1-CB 3.26Å; D99-K101 PolarHBondContact OD1-N 2.89Å; D99-A102 HydrophobicContact CB-CB 3.88Å; D99-A102 WeakPolarHBondContact O-CB 3.34Å; D99-A102 PolarHBondContact O-N 3.2Å; D99-A102 VanDerWaalsContact O-N 3.14Å; D99-A102 PolarHBondContact OD1-N 2.79Å; D99-A102 WeakPolarHBondContact OD2-CB 3.18Å
100P96.9Very high97.8Very high32 Ų3251.9 Ų51.921%0.20827%0.274CS..THydrogen-bonded Turntrans-67.1-6.9-178.426.6-35.5000113.8T62 K63 H96 P129T62-P100 PolarHBondContact OG1-O 2.77Å; K63-P100 HydrophobicContact CB-CB 4.1Å; K63-P100 HydrophobicContact CG-CB 4.31Å; H96-P100 WeakPolarHBondContact O-CA 3.35Å; P100-P129 HydrophobicContact CB-CB 4.24Å; P100-P129 HydrophobicContact CG-CB 3.75Å
101K97.6Very high97.8Very high68 Ų6854.3 Ų54.330%0.29628%0.283SS..THydrogen-bonded Turntrans-97.2-24.2177.7-53.4178.1-179-163.40111.9D99 I103 V104 R105 I127 P129D99-K101 PolarHBondContact O-N 3.39Å; D99-K101 WeakPolarHBondContact OD1-CB 3.26Å; D99-K101 PolarHBondContact OD1-N 2.89Å; K101-I103 VanDerWaalsContact C-N 3.32Å; K101-I103 PolarHBondContact O-N 2.86Å; K101-V104 PolarHBondContact O-N 3.25Å; K101-R105 VanDerWaalsContact O-CB 3.32Å; K101-R105 WeakPolarHBondContact O-CB 3.47Å; K101-R105 PolarHBondContact O-N 3.12Å; K101-I127 HydrophobicContact CB-CB 4.35Å; K101-I127 HydrophobicContact CB-CG2 3.86Å; K101-I127 HydrophobicContact CD-CB 4.37Å; K101-I127 HydrophobicContact CD-CG2 4.39Å; K101-I127 WeakPolarHBondContact CD-O 3.37Å; K101-I127 WeakPolarHBondContact CE-O 3.29Å; K101-I127 HydrophobicContact CG-CB 4.43Å; K101-I127 HydrophobicContact CG-CG2 3.93Å; K101-I127 PolarHBondContact NZ-O 2.96Å; K101-P129 VanDerWaalsContact CE-CD 3.45Å
102A97.6Very high97.8Very high2 Ų252.9 Ų52.92%0.01728%0.275CS..Hα-helixtrans-57.4-42.2-17000000113L95 D99 R105 L106L95-A102 HydrophobicContact CD1-CB 3.91Å; L95-A102 HydrophobicContact CD2-CB 4.05Å; L95-A102 HydrophobicContact CG-CB 3.9Å; D99-A102 HydrophobicContact CB-CB 3.88Å; D99-A102 WeakPolarHBondContact O-CB 3.34Å; D99-A102 PolarHBondContact O-N 3.2Å; D99-A102 VanDerWaalsContact O-N 3.14Å; D99-A102 PolarHBondContact OD1-N 2.79Å; D99-A102 WeakPolarHBondContact OD2-CB 3.18Å; A102-R105 PolarHBondContact O-N 3.06Å; A102-L106 VanDerWaalsContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.28Å
103I98.1Very high97.8Very high0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-63.4-49.2-175.4-68.1-178.8000111.3P28 I65 F67 W72 Y77 A92 L95 H96 K101 A107P28-I103 HydrophobicContact CB-CG2 3.96Å; P28-I103 HydrophobicContact CG-CG2 3.77Å; I65-I103 HydrophobicContact CD1-CB 4.08Å; I65-I103 HydrophobicContact CD1-CD1 4.28Å; I65-I103 HydrophobicContact CD1-CG2 3.79Å; F67-I103 HydrophobicContact CE2-CD1 4.06Å; F67-I103 HydrophobicContact CE2-CG2 4.07Å; F67-I103 HydrophobicContact CZ-CG2 3.63Å; W72-I103 HydrophobicContact CH2-CD1 4.35Å; W72-I103 HydrophobicContact CZ3-CD1 3.83Å; Y77-I103 HydrophobicContact CE2-CG1 4.33Å; A92-I103 HydrophobicContact CB-CD1 4.28Å; L95-I103 HydrophobicContact CD2-CG1 4.11Å; L95-I103 HydrophobicContact CG-CG1 4.45Å; H96-I103 HydrophobicContact CB-CD1 3.75Å; K101-I103 VanDerWaalsContact C-N 3.32Å; K101-I103 PolarHBondContact O-N 2.86Å; I103-A107 WeakPolarHBondContact O-CB 3.3Å; I103-A107 PolarHBondContact O-N 2.83Å
104V98Very high97.7Very high0 Ų064.6 Ų64.60%032%0.317CS..Hα-helixtrans-65.3-45.5177.7178.70000109.8P28 I31 T62 I65 K101 L106 A107 V108 I127P28-V104 HydrophobicContact CB-CG2 4.48Å; I31-V104 HydrophobicContact CG2-CG1 4.33Å; T62-V104 HydrophobicContact CG2-CB 4.41Å; T62-V104 HydrophobicContact CG2-CG2 3.99Å; I65-V104 HydrophobicContact CG2-CG2 4.09Å; K101-V104 PolarHBondContact O-N 3.25Å; V104-L106 PolarHBondContact O-N 3.01Å; V104-A107 PolarHBondContact O-N 2.73Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 3.1Å; V104-I127 HydrophobicContact CG1-CD1 4.44Å
105R98.3Very high97.7Very high113 Ų11362.5 Ų62.543%0.42631%0.31SS..Hα-helixtrans-56.5-46.6177.8-170.8174.262.195.6-2112.5K101 A102 Y109 M122 I127K101-R105 VanDerWaalsContact O-CB 3.32Å; K101-R105 WeakPolarHBondContact O-CB 3.47Å; K101-R105 PolarHBondContact O-N 3.12Å; A102-R105 PolarHBondContact O-N 3.06Å; R105-Y109 VanDerWaalsContact O-CB 3.26Å; R105-Y109 WeakPolarHBondContact O-CB 3.21Å; R105-Y109 PolarHBondContact O-N 2.9Å; R105-M122 HydrophobicContact CG-CE 3.64Å; R105-I127 HydrophobicContact CB-CD1 3.73Å; R105-I127 HydrophobicContact CG-CD1 4.27Å
106L98.1Very high97.6Very high66 Ų6668.8 Ų68.835%0.34634%0.343SS..Hα-helixtrans-68.8-38.8179-72.5171.3000111.8Y77 L95 A102 V104 Y109 G110Y77-L106 HydrophobicContact CD1-CD1 3.62Å; Y77-L106 HydrophobicContact CE1-CB 4.32Å; Y77-L106 HydrophobicContact CE1-CD1 3.69Å; L95-L106 HydrophobicContact CD2-CD1 4.01Å; A102-L106 VanDerWaalsContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.28Å; V104-L106 PolarHBondContact O-N 3.01Å; L106-Y109 PolarHBondContact O-N 2.95Å; L106-G110 PolarHBondContact O-N 2.96Å
107A97.9Very high97.6Very high22 Ų2272.3 Ų72.318%0.18236%0.359CS..Hα-helixtrans-62.2-47.4175.600000111.3A32 I103 V104 G110 M111A32-A107 HydrophobicContact CB-CB 3.72Å; I103-A107 WeakPolarHBondContact O-CB 3.3Å; I103-A107 PolarHBondContact O-N 2.83Å; V104-A107 PolarHBondContact O-N 2.73Å; A107-G110 PolarHBondContact O-N 3.27Å; A107-M111 VanDerWaalsContact O-CG 3.32Å; A107-M111 WeakPolarHBondContact O-CG 3.24Å; A107-M111 PolarHBondContact O-N 3.33Å
108V98.3Very high97.6Very high0 Ų067.2 Ų67.20%033%0.329CS..Hα-helixtrans-62.6-47.6176.2178.90000110.7A32 C35 L39 V104 G110 M111 L112 M122 L125A32-V108 HydrophobicContact CB-CG2 3.86Å; C35-V108 HydrophobicContact CB-CG1 4.24Å; C35-V108 HydrophobicContact CB-CG2 3.88Å; L39-V108 HydrophobicContact CD1-CG1 3.67Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 3.1Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.15Å; V108-M111 PolarHBondContact O-N 3.29Å; V108-L112 HydrophobicContact CG1-CD1 4.37Å; V108-L112 HydrophobicContact CG1-CG 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 3.34Å; V108-M122 HydrophobicContact CG1-SD 4.11Å; V108-L125 HydrophobicContact CB-CD2 3.96Å; V108-L125 HydrophobicContact CG1-CD2 3.82Å; V108-L125 HydrophobicContact CG2-CD2 4.07Å
109Y98.3Very high97.6Very high53 Ų5365.7 Ų65.721%0.20832%0.318CS..Hα-helixtrans-58.7-36.9179.8-174.8-100000113.1R105 L106 M111 R118 R119 M122R105-Y109 VanDerWaalsContact O-CB 3.26Å; R105-Y109 WeakPolarHBondContact O-CB 3.21Å; R105-Y109 PolarHBondContact O-N 2.9Å; L106-Y109 PolarHBondContact O-N 2.95Å; Y109-M111 VanDerWaalsContact C-N 3.35Å; Y109-R118 HydrophobicContact CD2-CG 4Å; Y109-R118 HydrophobicContact CE2-CG 3.78Å; Y109-R118 VanDerWaalsContact OH-CZ 3.24Å; Y109-R118 PolarHBondContact OH-NE 3.07Å; Y109-R118 PolarHBondContact OH-NH2 3.28Å; Y109-R119 PolarHBondContact OH-NH2 2.87Å; Y109-R119 VanDerWaalsContact OH-NH2 3.13Å; Y109-M122 HydrophobicContact CD2-CG 3.79Å; Y109-M122 HydrophobicContact CD2-SD 4.1Å; Y109-M122 HydrophobicContact CE2-CG 4.45Å
110G97.8Very high97.6Very high58 Ų5866 Ų6660%0.59832%0.322SS*.Hα-helixtrans-70.3-27.9176.500000114.1L106 A107 V108L106-G110 PolarHBondContact O-N 2.96Å; A107-G110 PolarHBondContact O-N 3.27Å; V108-G110 VanDerWaalsContact C-N 3.26Å; V108-G110 PolarHBondContact O-N 3.15Å
111M97.6Very high97.7Very high105 Ų10565.9 Ų65.952%0.51732%0.319SS..Hα-helixtrans-84.7-19180-69-67.1178.900113.6A32 A107 V108 Y109A32-M111 HydrophobicContact CB-CG 4.33Å; A107-M111 VanDerWaalsContact O-CG 3.32Å; A107-M111 WeakPolarHBondContact O-CG 3.24Å; A107-M111 PolarHBondContact O-N 3.33Å; V108-M111 PolarHBondContact O-N 3.29Å; Y109-M111 VanDerWaalsContact C-N 3.35Å
112L97.8Very high97.7Very high5 Ų564.1 Ų64.13%0.02631%0.312CS..SBendtrans-75.1150.2177.8-69.5174.9000111.8L39 Q40 V108 R118 M121 M122L39-L112 HydrophobicContact CB-CD2 4.34Å; L39-L112 HydrophobicContact CD1-CD1 4.44Å; Q40-L112 HydrophobicContact CG-CD2 4.09Å; V108-L112 HydrophobicContact CG1-CD1 4.37Å; V108-L112 HydrophobicContact CG1-CG 4.49Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 3.34Å; L112-R118 HydrophobicContact CB-CB 4.43Å; L112-R118 HydrophobicContact CB-CG 3.69Å; L112-R118 HydrophobicContact CD1-CG 3.91Å; L112-R118 HydrophobicContact CG-CG 4.48Å; L112-M121 HydrophobicContact CD1-CB 4Å; L112-M121 HydrophobicContact CD2-SD 3.89Å; L112-M122 HydrophobicContact CD1-CG 4.01Å; L112-M122 HydrophobicContact CD1-SD 3.7Å
113P97.2Very high97.7Very high47 Ų4771 Ų7131%0.30534%0.344SS..  trans-53.9142.9176.7-24.933.7000112.3Q40 N115 R118Q40-P113 VanDerWaalsContact OE1-CG 3.31Å; P113-N115 PolarHBondContact O-N 3.34Å; P113-R118 WeakPolarHBondContact O-CB 3.42Å; P113-R118 WeakPolarHBondContact O-CD 3.4Å
114R96.9Very high97.7Very high234 Ų23471.8 Ų71.888%0.88335%0.347SS*.SBendtrans-79.669179.6-64-176.3178.9-174.70.3110.9
115N96.8Very high97.8Very high65 Ų6572.6 Ų72.635%0.34835%0.351SS..SBendtrans-137.2-178.6177.566.215000111.5P113 H117 R118P113-N115 PolarHBondContact O-N 3.34Å; N115-H117 WeakPolarHBondContact OD1-CB 2.93Å; N115-H117 PolarHBondContact OD1-N 3.39Å; N115-R118 WeakPolarHBondContact O-CB 3.26Å; N115-R118 PolarHBondContact OD1-N 2.87Å; N115-R118 VanDerWaalsContact OD1-N 3.1Å
116L97.3Very high97.7Very high159 Ų15969.3 Ų69.383%0.83234%0.34SS*.THydrogen-bonded Turntrans-67.9-36.5178.2-65174.7000112.5R118 R119L116-R118 PolarHBondContact O-N 3.45Å; L116-R118 VanDerWaalsContact O-N 3.09Å; L116-R119 PolarHBondContact O-N 3.18Å; L116-R119 VanDerWaalsContact O-N 3.13Å
117H97.1Very high97.7Very high97 Ų9767 Ų6745%0.44933%0.328SS..Hα-helixtrans-57.2-26.9178.6-58.4107.1000113.5N115 R119 T120 M121N115-H117 WeakPolarHBondContact OD1-CB 2.93Å; N115-H117 PolarHBondContact OD1-N 3.39Å; H117-R119 PolarHBondContact O-N 3.25Å; H117-T120 WeakPolarHBondContact O-CB 3.32Å; H117-T120 PolarHBondContact O-N 3.46Å; H117-M121 HydrophobicContact CB-CE 4.1Å; H117-M121 WeakPolarHBondContact O-CG 3.45Å; H117-M121 PolarHBondContact O-N 3.3Å
118R97.7Very high97.7Very high46 Ų4667.4 Ų67.417%0.17433%0.326CS..Hα-helixtrans-51.9-38.7175.9-179.617159.9177.4-0.9113Y109 L112 P113 N115 L116 M121 M122Y109-R118 HydrophobicContact CD2-CG 4Å; Y109-R118 HydrophobicContact CE2-CG 3.78Å; Y109-R118 VanDerWaalsContact OH-CZ 3.24Å; Y109-R118 PolarHBondContact OH-NE 3.07Å; Y109-R118 PolarHBondContact OH-NH2 3.28Å; L112-R118 HydrophobicContact CB-CB 4.43Å; L112-R118 HydrophobicContact CB-CG 3.69Å; L112-R118 HydrophobicContact CD1-CG 3.91Å; L112-R118 HydrophobicContact CG-CG 4.48Å; P113-R118 WeakPolarHBondContact O-CB 3.42Å; P113-R118 WeakPolarHBondContact O-CD 3.4Å; N115-R118 WeakPolarHBondContact O-CB 3.26Å; N115-R118 PolarHBondContact OD1-N 2.87Å; N115-R118 VanDerWaalsContact OD1-N 3.1Å; L116-R118 PolarHBondContact O-N 3.45Å; L116-R118 VanDerWaalsContact O-N 3.09Å; R118-M121 PolarHBondContact O-N 3.44Å; R118-M122 VanDerWaalsContact O-CG 3.27Å; R118-M122 WeakPolarHBondContact O-CG 3.27Å; R118-M122 PolarHBondContact O-N 3.32Å
119R97.4Very high97.7Very high156 Ų15669.2 Ų69.259%0.58934%0.338SS*.Hα-helixtrans-69.1-40.1179.5-67.7-64.1-173.7179.23.1111.5Y109 L116 H117 M122 Q123Y109-R119 PolarHBondContact OH-NH2 2.87Å; Y109-R119 VanDerWaalsContact OH-NH2 3.13Å; L116-R119 PolarHBondContact O-N 3.18Å; L116-R119 VanDerWaalsContact O-N 3.13Å; H117-R119 PolarHBondContact O-N 3.25Å; R119-M122 PolarHBondContact O-N 3.06Å; R119-Q123 PolarHBondContact O-N 3.24Å
120T97.7Very high97.6Very high59 Ų5969.8 Ų69.836%0.36234%0.342SS..Hα-helixtrans-63.5-42.7174.3-44.80000111.7H117 M122 Q123H117-T120 WeakPolarHBondContact O-CB 3.32Å; H117-T120 PolarHBondContact O-N 3.46Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 3.04Å; T120-Q123 WeakPolarHBondContact O-CB 3.33Å; T120-Q123 PolarHBondContact O-N 3.26Å
121M97.9Very high97.4Very high28 Ų2871.5 Ų71.514%0.13834%0.338CS..Hα-helixtrans-61.3-41.5175.7-69.4171.4-175.400111.6L39 Q40 L112 H117 R118 Q123 R124L39-M121 HydrophobicContact CB-CB 4.36Å; Q40-M121 HydrophobicContact CB-CE 4.5Å; Q40-M121 HydrophobicContact CG-CE 3.91Å; Q40-M121 HydrophobicContact CG-SD 3.8Å; L112-M121 HydrophobicContact CD1-CB 4Å; L112-M121 HydrophobicContact CD2-SD 3.89Å; H117-M121 HydrophobicContact CB-CE 4.1Å; H117-M121 WeakPolarHBondContact O-CG 3.45Å; H117-M121 PolarHBondContact O-N 3.3Å; R118-M121 PolarHBondContact O-N 3.44Å; M121-Q123 PolarHBondContact O-N 3.38Å; M121-R124 PolarHBondContact O-N 2.96Å
122M98.3Very high97.1Very high32 Ų3274.3 Ų74.316%0.15835%0.35CS..Hα-helixtrans-65.2-24.1177.7-71.2-61.5-5800113.8R105 V108 Y109 L112 R118 R119 T120 R124 L125R105-M122 HydrophobicContact CG-CE 3.64Å; V108-M122 HydrophobicContact CG1-SD 4.11Å; Y109-M122 HydrophobicContact CD2-CG 3.79Å; Y109-M122 HydrophobicContact CD2-SD 4.1Å; Y109-M122 HydrophobicContact CE2-CG 4.45Å; L112-M122 HydrophobicContact CD1-CG 4.01Å; L112-M122 HydrophobicContact CD1-SD 3.7Å; R118-M122 VanDerWaalsContact O-CG 3.27Å; R118-M122 WeakPolarHBondContact O-CG 3.27Å; R118-M122 PolarHBondContact O-N 3.32Å; R119-M122 PolarHBondContact O-N 3.06Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 3.04Å; M122-R124 PolarHBondContact O-N 3.46Å; M122-L125 HydrophobicContact CE-CD2 3.69Å; M122-L125 PolarHBondContact O-N 3.42Å; M122-L125 HydrophobicContact SD-CD2 4.17Å
123Q98.1Very high96.9Very high147 Ų14774.9 Ų74.969%0.68735%0.353SS*.Hα-helixtrans-71.1-20.5174.5-69.3172-23.800112.5R119 T120 M121R119-Q123 PolarHBondContact O-N 3.24Å; T120-Q123 WeakPolarHBondContact O-CB 3.33Å; T120-Q123 PolarHBondContact O-N 3.26Å; M121-Q123 PolarHBondContact O-N 3.38Å
124R98.1Very high96.8Very high16 Ų1675.4 Ų75.46%0.0636%0.356CS..THydrogen-bonded Turntrans-91.4-2176.1-57178.5-167.8160.88.9113.2R16 L39 D52 G54 H56 V57 M121 M122 H126R16-R124 VanDerWaalsContact NH2-NH2 3.17Å; L39-R124 HydrophobicContact CD2-CB 4.08Å; D52-R124 IonicContact OD1-CZ 3.89Å; D52-R124 IonicContact OD1-NH1 2.73Å; D52-R124 PolarHBondContact OD1-NH1 3.33Å; D52-R124 IonicContact OD1-NH2 2.9Å; D52-R124 PolarHBondContact OD1-NH2 3.4Å; D52-R124 IonicContact OD2-CZ 3.36Å; D52-R124 IonicContact OD2-NH1 3.01Å; D52-R124 IonicContact OD2-NH2 3.06Å; D52-R124 PolarHBondContact OD2-NH2 3.29Å; G54-R124 PolarHBondContact O-NH1 2.92Å; H56-R124 WeakPolarHBondContact CA-O 3.28Å; V57-R124 PolarHBondContact N-O 2.96Å; V57-R124 VanDerWaalsContact N-O 3.07Å; M121-R124 PolarHBondContact O-N 2.96Å; M122-R124 PolarHBondContact O-N 3.46Å; R124-H126 PolarHBondContact O-CD2 3.44Å
125L98.4Very high96.7Very high16 Ų1670 Ų708%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-93.6115.6174.7-179.968.4000109L39 V57 V59 V108 M122 I127L39-L125 HydrophobicContact CD1-CB 4.17Å; L39-L125 HydrophobicContact CD1-CD1 4.39Å; L39-L125 HydrophobicContact CD2-CB 4.29Å; V57-L125 HydrophobicContact CB-CD1 4.12Å; V57-L125 HydrophobicContact CG1-CD1 4.23Å; V57-L125 WeakPolarHBondContact O-CA 3.32Å; V59-L125 HydrophobicContact CG2-CD1 4.13Å; V108-L125 HydrophobicContact CB-CD2 3.96Å; V108-L125 HydrophobicContact CG1-CD2 3.82Å; V108-L125 HydrophobicContact CG2-CD2 4.07Å; M122-L125 HydrophobicContact CE-CD2 3.69Å; M122-L125 PolarHBondContact O-N 3.42Å; M122-L125 HydrophobicContact SD-CD2 4.17Å; L125-I127 HydrophobicContact CD1-CG1 4.39Å; L125-I127 HydrophobicContact CD2-CD1 3.77Å; L125-I127 HydrophobicContact CD2-CG1 4.12Å; L125-I127 HydrophobicContact CG-CD1 4.1Å; L125-I127 HydrophobicContact CG-CG1 3.86Å
126H97.8Very high96.6Very high44 Ų4473.1 Ų73.120%0.20436%0.361CS..EExtended strand (participates in β ladder)trans-106.9126.4177.3-52.7-78.6000108.5W18 H56 V57 V58 V59 R124 F128W18-H126 AromaticContact CH2-NE2 3.7Å; W18-H126 AromaticContact CZ3-CD2 3.63Å; W18-H126 AromaticContact CZ3-NE2 3.6Å; H56-H126 AromaticContact ND1-NE2 3.25Å; H56-H126 PolarHBondContact ND1-NE2 2.86Å; V57-H126 PolarHBondContact O-N 3.37Å; V58-H126 CarbonylContact C-O 3.45Å; V58-H126 WeakPolarHBondContact CA-O 3.48Å; V58-H126 HydrophobicContact CG2-CB 4.2Å; V59-H126 PolarHBondContact N-O 2.94Å; R124-H126 PolarHBondContact O-CD2 3.44Å; H126-F128 HydrophobicContact CB-CE2 3.86Å; H126-F128 HydrophobicContact CB-CZ 4.47Å
127I97.9Very high96.5Very high17 Ų1766.6 Ų66.69%0.08733%0.327CS..EExtended strand (participates in β ladder)trans-126.2125.1-175-48.4-178000109.5V59 T62 K101 V104 R105 L125V59-I127 WeakPolarHBondContact O-CA 3.33Å; T62-I127 HydrophobicContact CG2-CG2 3.36Å; K101-I127 HydrophobicContact CB-CB 4.35Å; K101-I127 HydrophobicContact CB-CG2 3.86Å; K101-I127 HydrophobicContact CD-CB 4.37Å; K101-I127 HydrophobicContact CD-CG2 4.39Å; K101-I127 WeakPolarHBondContact CD-O 3.37Å; K101-I127 WeakPolarHBondContact CE-O 3.29Å; K101-I127 HydrophobicContact CG-CB 4.43Å; K101-I127 HydrophobicContact CG-CG2 3.93Å; K101-I127 PolarHBondContact NZ-O 2.96Å; V104-I127 HydrophobicContact CG1-CD1 4.44Å; R105-I127 HydrophobicContact CB-CD1 3.73Å; R105-I127 HydrophobicContact CG-CD1 4.27Å; L125-I127 HydrophobicContact CD1-CG1 4.39Å; L125-I127 HydrophobicContact CD2-CD1 3.77Å; L125-I127 HydrophobicContact CD2-CG1 4.12Å; L125-I127 HydrophobicContact CG-CD1 4.1Å; L125-I127 HydrophobicContact CG-CG1 3.86Å
128F97.9Very high96.3Very high31 Ų3168.1 Ų68.114%0.13633%0.329CS..  trans-119.9135.5179.3-61.5-81.5000110.1V58 V59 I60 N61 T62 H126 L133 P134 I137V58-F128 HydrophobicContact CG1-CD2 3.93Å; V58-F128 HydrophobicContact CG1-CE2 3.91Å; V59-F128 PolarHBondContact O-N 3.1Å; I60-F128 HydrophobicContact CG2-CB 4.38Å; N61-F128 PolarHBondContact N-O 3.41Å; T62-F128 PolarHBondContact N-O 2.88Å; T62-F128 PolarHBondContact OG1-O 3.44Å; H126-F128 HydrophobicContact CB-CE2 3.86Å; H126-F128 HydrophobicContact CB-CZ 4.47Å; F128-L133 HydrophobicContact CD2-CD2 3.35Å; F128-L133 HydrophobicContact CE2-CD2 3.51Å; F128-L133 HydrophobicContact CG-CD2 3.95Å; F128-L133 HydrophobicContact CZ-CD2 4.24Å; F128-P134 HydrophobicContact CE1-CG 4.08Å; F128-P134 HydrophobicContact CZ-CG 4.18Å; F128-I137 HydrophobicContact CE2-CD1 4.02Å; F128-I137 HydrophobicContact CZ-CD1 3.62Å
129P97.1Very high96.2Very high39 Ų3970 Ų7025%0.25335%0.354SS..SBendtrans-73.9-34.1-175.230.8-26.9000111.7N61 T62 K63 P100 K101N61-P129 CarbonylContact C-O 3.56Å; N61-P129 VanDerWaalsContact C-O 3.26Å; N61-P129 VanDerWaalsContact CA-O 3.28Å; N61-P129 WeakPolarHBondContact CA-O 3.46Å; T62-P129 PolarHBondContact N-O 2.84Å; T62-P129 VanDerWaalsContact N-O 3.15Å; K63-P129 WeakPolarHBondContact CB-O 3.39Å; K63-P129 PolarHBondContact N-O 3.01Å; P100-P129 HydrophobicContact CB-CB 4.24Å; P100-P129 HydrophobicContact CG-CB 3.75Å; K101-P129 VanDerWaalsContact CE-CD 3.45Å
130E96.9Very high96.1Very high64 Ų6466.9 Ų66.930%0.29935%0.349SS..SBendtrans-117.3-170.8179.1-55.7-67.1176.500108.8N61 K63 H64 E132N61-E130 PolarHBondContact N-O 3.38Å; K63-E130 WeakPolarHBondContact CD-OE1 3.36Å; K63-E130 WeakPolarHBondContact CE-OE1 3.49Å; K63-E130 IonicContact NZ-OE1 3.53Å; K63-E130 PolarHBondContact NZ-OE1 3.06Å; H64-E130 IonicContact CD2-OE2 3.35Å; H64-E130 IonicContact NE2-OE2 2.88Å; H64-E130 PolarHBondContact NE2-OE2 2.94Å; E130-E132 VanDerWaalsContact C-N 3.3Å
131D93.5Very high96.1Very high94 Ų9466.4 Ų66.450%0.50334%0.344SS..SBendtrans-85.73.6-179.6-16317.4000114.1I60 N61 L133I60-D131 WeakPolarHBondContact CD1-OD1 3.32Å; N61-D131 PolarHBondContact OD1-N 3.39Å; D131-L133 PolarHBondContact O-N 3.37Å
132E92.4Very high95.9Very high164 Ų16469.4 Ų69.477%0.76636%0.364SS*.  trans-79.3113.4179.5-68.3-180-179.400111E130E130-E132 VanDerWaalsContact C-N 3.3Å
133L92.9Very high95.8Very high17 Ų1772.8 Ų72.89%0.08938%0.38CS..  trans-109.1137.8177.2-70.2171.3000110.8L20 V58 I60 F128 D131 I137 R138 L141L20-L133 HydrophobicContact CD1-CD1 4.27Å; V58-L133 HydrophobicContact CG1-CD2 3.6Å; I60-L133 HydrophobicContact CG2-CD1 4.14Å; I60-L133 HydrophobicContact CG2-CD2 3.73Å; I60-L133 HydrophobicContact CG2-CG 3.99Å; F128-L133 HydrophobicContact CD2-CD2 3.35Å; F128-L133 HydrophobicContact CE2-CD2 3.51Å; F128-L133 HydrophobicContact CG-CD2 3.95Å; F128-L133 HydrophobicContact CZ-CD2 4.24Å; D131-L133 PolarHBondContact O-N 3.37Å; L133-I137 HydrophobicContact CD2-CG2 4.4Å; L133-R138 HydrophobicContact CB-CB 4.47Å; L133-L141 HydrophobicContact CD1-CD1 4.1Å
134P94.6Very high95.7Very high59 Ų5971.4 Ų71.438%0.38337%0.373SS..  trans-57.6144.3166.4-21.732.5000111.4F128 D136 I137 R138F128-P134 HydrophobicContact CE1-CG 4.08Å; F128-P134 HydrophobicContact CZ-CG 4.18Å; P134-D136 VanDerWaalsContact C-N 3.25Å; P134-D136 PolarHBondContact O-N 3.11Å; P134-I137 HydrophobicContact CG-CD1 4.19Å; P134-I137 PolarHBondContact O-N 3.46Å; P134-R138 PolarHBondContact O-N 3.21Å
135D94.5Very high95.6Very high120 Ų12071.1 Ų71.164%0.64237%0.373SS*.Hα-helixtrans-58-39-176.9-64.2-36.7000112.3I137 R138 A139D135-I137 VanDerWaalsContact C-N 3.29Å; D135-I137 PolarHBondContact O-N 3.49Å; D135-R138 PolarHBondContact O-N 3.03Å; D135-R138 IonicContact OD1-NH1 3.51Å; D135-A139 WeakPolarHBondContact O-CB 3.34Å; D135-A139 PolarHBondContact O-N 3.11Å
136D95.3Very high95.5Very high130 Ų13075 Ų7570%0.69540%0.399SS*.Hα-helixtrans-58.1-39.4176.7-61.6-17.3000112.7P134 N140P134-D136 VanDerWaalsContact C-N 3.25Å; P134-D136 PolarHBondContact O-N 3.11Å; D136-N140 PolarHBondContact O-ND2 3.17Å
137I94.6Very high95.4Very high23 Ų2376 Ų7612%0.11840%0.404CS..Hα-helixtrans-77.7-42.5-179.8-66.7176.9000109.5W18 V58 F128 L133 P134 D135 A139 N140 L141W18-I137 HydrophobicContact CE3-CG2 4.26Å; W18-I137 HydrophobicContact CZ3-CG1 4.18Å; W18-I137 HydrophobicContact CZ3-CG2 4.05Å; V58-I137 HydrophobicContact CG1-CG2 4.25Å; V58-I137 HydrophobicContact CG2-CG2 3.71Å; F128-I137 HydrophobicContact CE2-CD1 4.02Å; F128-I137 HydrophobicContact CZ-CD1 3.62Å; L133-I137 HydrophobicContact CD2-CG2 4.4Å; P134-I137 HydrophobicContact CG-CD1 4.19Å; P134-I137 PolarHBondContact O-N 3.46Å; D135-I137 VanDerWaalsContact C-N 3.29Å; D135-I137 PolarHBondContact O-N 3.49Å; I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 PolarHBondContact O-N 2.95Å; I137-N140 PolarHBondContact O-N 3Å; I137-L141 PolarHBondContact O-N 2.88Å
138R93.6Very high95.1Very high129 Ų12977 Ų7749%0.48741%0.412SS..Hα-helixtrans-59.2-41.4179.7-176.5178.3-74.6148.6-6.7111.9L133 P134 D135 N140 L141L133-R138 HydrophobicContact CB-CB 4.47Å; P134-R138 PolarHBondContact O-N 3.21Å; D135-R138 PolarHBondContact O-N 3.03Å; D135-R138 IonicContact OD1-NH1 3.51Å; R138-N140 PolarHBondContact O-N 3.43Å; R138-L141 PolarHBondContact O-N 2.92Å
139A95.4Very high95Very high85 Ų8579.9 Ų79.970%0.70242%0.422SS*.Hα-helixtrans-66.3-24.4179.800000114D135 I137D135-A139 WeakPolarHBondContact O-CB 3.34Å; D135-A139 PolarHBondContact O-N 3.11Å; I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 PolarHBondContact O-N 2.95Å
140N96.1Very high94.9Very high90 Ų9086.5 Ų86.548%0.48145%0.449SS..Hα-helixtrans-97-4.7-175.2-68.9-39.2000113.7W18 D136 I137 R138 T142W18-N140 WeakPolarHBondContact CB-O 2.98Å; W18-N140 HydrophobicContact CD2-CB 4.24Å; W18-N140 HydrophobicContact CG-CB 4.3Å; D136-N140 PolarHBondContact O-ND2 3.17Å; I137-N140 PolarHBondContact O-N 3Å; R138-N140 PolarHBondContact O-N 3.43Å; N140-T142 PolarHBondContact O-N 2.93Å
141L96.3Very high94.8Very high49 Ų4987 Ų8726%0.25745%0.453SS..  trans-61.7133.2-179.1-70.2178.9000111.4W18 L20 V58 L133 I137 R138W18-L141 HydrophobicContact CB-CD2 4.35Å; L20-L141 HydrophobicContact CB-CD1 4.39Å; L20-L141 HydrophobicContact CB-CD2 4.21Å; L20-L141 HydrophobicContact CD1-CD1 4.5Å; L20-L141 HydrophobicContact CD2-CD1 4.17Å; V58-L141 HydrophobicContact CB-CD2 4.33Å; V58-L141 HydrophobicContact CG2-CD2 3.99Å; L133-L141 HydrophobicContact CD1-CD1 4.1Å; I137-L141 PolarHBondContact O-N 2.88Å; R138-L141 PolarHBondContact O-N 2.92Å
142T95.1Very high94.9Very high91 Ų9186.5 Ų86.556%0.55846%0.455SS*.  trans-103.5-48.7-177.4-44.20000111.8W18 N140W18-T142 PolarHBondContact N-OG1 2.67Å; W18-T142 VanDerWaalsContact N-OG1 3.11Å; W18-T142 WeakPolarHBondContact O-CB 3.38Å; W18-T142 PolarHBondContact O-N 3.18Å; W18-T142 PolarHBondContact O-OG1 2.71Å; N140-T142 PolarHBondContact O-N 2.93Å
143E95.8Very high95Very high104 Ų10484.3 Ų84.349%0.48644%0.44SS..EExtended strand (participates in β ladder)trans-147.4140.8-173.9-176.7-174.6161.800110.3W18 F19 L20W18-E143 PolarHBondContact O-N 2.89Å; F19-E143 CarbonylContact C-O 3.26Å; F19-E143 WeakPolarHBondContact CA-O 3.27Å; F19-E143 HydrophobicContact CD1-CB 4Å; F19-E143 HydrophobicContact CE1-CB 4.12Å; F19-E143 WeakPolarHBondContact CE1-OE2 3.25Å; L20-E143 PolarHBondContact N-O 3.18Å
144E96Very high95Very high118 Ų11890.3 Ų90.355%0.55147%0.465SS*.EExtended strand (participates in β ladder)trans-95.1125.3166.5-173.2176.6178.500110L20L20-E144 HydrophobicContact CB-CB 4.26Å; L20-E144 HydrophobicContact CB-CG 4.2Å; L20-E144 HydrophobicContact CD2-CB 4.49Å; L20-E144 HydrophobicContact CD2-CG 4.14Å; L20-E144 HydrophobicContact CG-CG 4.24Å
145L96Very high95Very high9 Ų994.3 Ų94.35%0.04748%0.482CS..PPolyproline II helixtrans-82.4142.4-179.6-64.2177.1000110.7F19 L20 I21 M34 R38F19-L145 HydrophobicContact CB-CD1 4.07Å; F19-L145 HydrophobicContact CB-CG 4.26Å; F19-L145 HydrophobicContact CD1-CD1 4.33Å; F19-L145 HydrophobicContact CD1-CD2 3.89Å; F19-L145 HydrophobicContact CD1-CG 4.07Å; F19-L145 HydrophobicContact CE1-CD2 4.37Å; F19-L145 HydrophobicContact CG-CD1 4.34Å; F19-L145 HydrophobicContact CG-CG 4.49Å; L20-L145 PolarHBondContact O-N 2.68Å; I21-L145 HydrophobicContact CD1-CD1 3.96Å; I21-L145 HydrophobicContact CG1-CB 4.17Å; I21-L145 HydrophobicContact CG1-CD1 3.87Å; I21-L145 HydrophobicContact CG1-CG 4.41Å; M34-L145 HydrophobicContact CE-CB 3.76Å; M34-L145 HydrophobicContact CE-CD1 4.02Å; M34-L145 HydrophobicContact CE-CG 4.47Å; R38-L145 HydrophobicContact CG-CD1 4.47Å
146P95.6Very high95Very high98 Ų9893.6 Ų93.664%0.63649%0.487SS*.PPolyproline II helixtrans-64.2144178.327.5-35.1000111.1M34M34-P146 WeakPolarHBondContact CE-O 3.33Å
147Q95.1Very high95Very high64 Ų6492.2 Ų92.230%0.29948%0.476SS..PPolyproline II helixtrans-65.6134.6177.2-68.1-173.4500111.1D22 Q26 R149D22-Q147 PolarHBondContact OD2-NE2 3.2Å; Q26-Q147 HydrophobicContact CG-CB 4.48Å; Q26-Q147 HydrophobicContact CG-CG 4.46Å; Q147-R149 VanDerWaalsContact C-N 3.31Å; Q147-R149 PolarHBondContact O-N 3.48Å
148P93Very high95Very high40 Ų4095.5 Ų95.526%0.2649%0.488SS..SBendtrans-80.7-7.6-173.732.9-38.5000114.6K30 M34K30-P148 HydrophobicContact CB-CB 4Å; K30-P148 HydrophobicContact CB-CG 3.76Å; K30-P148 HydrophobicContact CD-CB 4.02Å; K30-P148 HydrophobicContact CD-CG 4.32Å; K30-P148 PolarHBondContact NZ-O 2.91Å; K30-P148 VanDerWaalsContact NZ-O 3.1Å; M34-P148 HydrophobicContact SD-CB 3.79Å; M34-P148 HydrophobicContact SD-CG 3.89Å
149R95.7Very high95.2Very high90 Ų9092.7 Ų92.734%0.3449%0.485SS..SBendtrans-127.9126.2172.1178.9-169.7176.8178.82.9107.9Q26 Q147 I151Q26-R149 PolarHBondContact NE2-O 3.06Å; Q147-R149 VanDerWaalsContact C-N 3.31Å; Q147-R149 PolarHBondContact O-N 3.48Å; R149-I151 PolarHBondContact O-N 3.18Å
150E94.7Very high95.2Very high179 Ų17994.3 Ų94.384%0.83648%0.478SS*.PPolyproline II helixtrans-69.4126.4168-65.8172.1-169.500109.3
151I94.8Very high95.1Very high74 Ų7497.7 Ų97.738%0.37949%0.491SS..PPolyproline II helixtrans-78.1121.8-179.4-58.5171.1000107.3M25 R149M25-I151 HydrophobicContact CB-CD1 3.77Å; M25-I151 HydrophobicContact CB-CG1 3.86Å; M25-I151 HydrophobicContact CB-CG2 4.32Å; M25-I151 HydrophobicContact CG-CD1 4.37Å; M25-I151 HydrophobicContact CG-CG2 4.42Å; R149-I151 PolarHBondContact O-N 3.18Å
152P95Very high95.1Very high83 Ų8398.8 Ų98.854%0.53950%0.495SS..PPolyproline II helixtrans-67.4142.1177.728.9-34.3000110.3
153R94.3Very high95.1Very high119 Ų11997.9 Ų97.945%0.44949%0.486SS..PPolyproline II helixtrans-72.6138.9175.1-66.8-172.3-73.3170.7-3.5110.9E157 Y158 E162R153-E157 VanDerWaalsContact CA-OE2 3.25Å; R153-E157 WeakPolarHBondContact CA-OE2 3.4Å; R153-E157 HydrophobicContact CB-CB 4.34Å; R153-Y158 HydrophobicContact CB-CE2 3.92Å; R153-E162 IonicContact CZ-OE1 3.22Å; R153-E162 IonicContact CZ-OE2 3.73Å; R153-E162 VanDerWaalsContact NH1-CD 3.32Å; R153-E162 IonicContact NH1-OE1 2.89Å; R153-E162 PolarHBondContact NH1-OE1 3.48Å; R153-E162 IonicContact NH1-OE2 3.61Å; R153-E162 PolarHBondContact NH1-OE2 3.41Å; R153-E162 IonicContact NH2-OE1 2.71Å; R153-E162 PolarHBondContact NH2-OE1 2.62Å; R153-E162 IonicContact NH2-OE2 2.67Å
154K94.6Very high95Very high142 Ų14298.4 Ų98.462%0.61749%0.492SS*.PPolyproline II helixtrans-75.4157.9170-64.4179-176.9174.60110.1S156 E157 Y158K154-S156 PolarHBondContact O-N 3.1Å; K154-S156 VanDerWaalsContact O-N 3.13Å; K154-E157 HydrophobicContact CB-CG 4.21Å; K154-E157 PolarHBondContact N-OE2 3.38Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.09Å; K154-Y158 WeakPolarHBondContact O-CD2 3.37Å; K154-Y158 VanDerWaalsContact O-CE2 3.31Å; K154-Y158 WeakPolarHBondContact O-CE2 3.44Å
155L94Very high95.1Very high143 Ų14396.6 Ų96.675%0.74950%0.497SS*.G310 helixtrans-54.8-34.5178-176.560.3000112.8E157L155-E157 PolarHBondContact O-N 3.13Å
156S95.2Very high95.1Very high105 Ų105103 Ų10373%0.73453%0.525SS*.G310 helixtrans-69.5-13.7177.555.90000114.8K154K154-S156 PolarHBondContact O-N 3.1Å; K154-S156 VanDerWaalsContact O-N 3.13Å
157E94.8Very high95.1Very high102 Ų102102.5 Ų102.548%0.47752%0.521SS..G310 helixtrans-98.4-5.2-175.7-63.4165.5-173.700112.6R153 K154 L155R153-E157 VanDerWaalsContact CA-OE2 3.25Å; R153-E157 WeakPolarHBondContact CA-OE2 3.4Å; R153-E157 HydrophobicContact CB-CB 4.34Å; K154-E157 HydrophobicContact CB-CG 4.21Å; K154-E157 PolarHBondContact N-OE2 3.38Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.09Å; L155-E157 PolarHBondContact O-N 3.13Å
158Y95Very high95.1Very high92 Ų92108.2 Ų108.236%0.36154%0.54SS..SBendtrans-77.6144.8176-71.2-92.9000110.7R153 K154 E162R153-Y158 HydrophobicContact CB-CE2 3.92Å; K154-Y158 WeakPolarHBondContact O-CD2 3.37Å; K154-Y158 VanDerWaalsContact O-CE2 3.31Å; K154-Y158 WeakPolarHBondContact O-CE2 3.44Å; Y158-E162 HydrophobicContact CD1-CB 4.41Å; Y158-E162 VanDerWaalsContact CD1-OE2 3.28Å; Y158-E162 WeakPolarHBondContact CD1-OE2 3.28Å
159T96.3Very high95.2Very high69 Ų69113 Ų11342%0.42356%0.563SS.*  trans-77155174.564.20000110.4E161 E162 I163T159-E161 PolarHBondContact O-N 3.32Å; T159-E162 PolarHBondContact N-OE2 3.06Å; T159-E162 PolarHBondContact O-N 2.99Å; T159-E162 VanDerWaalsContact O-N 3.12Å; T159-E162 WeakPolarHBondContact OG1-CG 3.36Å; T159-E162 PolarHBondContact OG1-N 3.13Å; T159-I163 WeakPolarHBondContact O-CG1 3.4Å; T159-I163 PolarHBondContact O-N 3.13Å; T159-I163 VanDerWaalsContact O-N 3.11Å
160Q95.3Very high95.1Very high120 Ų120115.9 Ų115.956%0.56157%0.574SS**Hα-helixtrans-58.4-35.8177.6-169.961.140.300111.6E162 I163 D164Q160-E162 PolarHBondContact O-N 3.08Å; Q160-I163 PolarHBondContact O-N 2.66Å; Q160-D164 PolarHBondContact NE2-OD1 3.3Å; Q160-D164 PolarHBondContact NE2-OD2 3.13Å; Q160-D164 WeakPolarHBondContact O-CB 3.48Å; Q160-D164 VanDerWaalsContact O-CG 3.25Å; Q160-D164 PolarHBondContact O-N 3.43Å
161E95.8Very high95Very high160 Ų160114.4 Ų114.475%0.74857%0.57SS**Hα-helixtrans-60.5-44175.4-61.4175.3-179.300112.7T159 I163 A165T159-E161 PolarHBondContact O-N 3.32Å; E161-I163 VanDerWaalsContact C-N 3.32Å; E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.32Å
162E95Very high94.8Very high72 Ų72112.4 Ų112.434%0.33656%0.562SS.*Hα-helixtrans-66.4-36.9177.6-73.6176.5150.100111.6R153 Y158 T159 Q160 F166R153-E162 IonicContact CZ-OE1 3.22Å; R153-E162 IonicContact CZ-OE2 3.73Å; R153-E162 VanDerWaalsContact NH1-CD 3.32Å; R153-E162 IonicContact NH1-OE1 2.89Å; R153-E162 PolarHBondContact NH1-OE1 3.48Å; R153-E162 IonicContact NH1-OE2 3.61Å; R153-E162 PolarHBondContact NH1-OE2 3.41Å; R153-E162 IonicContact NH2-OE1 2.71Å; R153-E162 PolarHBondContact NH2-OE1 2.62Å; R153-E162 IonicContact NH2-OE2 2.67Å; Y158-E162 HydrophobicContact CD1-CB 4.41Å; Y158-E162 VanDerWaalsContact CD1-OE2 3.28Å; Y158-E162 WeakPolarHBondContact CD1-OE2 3.28Å; T159-E162 PolarHBondContact N-OE2 3.06Å; T159-E162 PolarHBondContact O-N 2.99Å; T159-E162 VanDerWaalsContact O-N 3.12Å; T159-E162 WeakPolarHBondContact OG1-CG 3.36Å; T159-E162 PolarHBondContact OG1-N 3.13Å; Q160-E162 PolarHBondContact O-N 3.08Å; E162-F166 PolarHBondContact O-N 3.32Å
163I94.4Very high94.7Very high73 Ų73112.5 Ų112.537%0.37456%0.563SS.*Hα-helixtrans-67.7-47.6178.2-64.6167.9000110.1T159 Q160 E161 F166T159-I163 WeakPolarHBondContact O-CG1 3.4Å; T159-I163 PolarHBondContact O-N 3.13Å; T159-I163 VanDerWaalsContact O-N 3.11Å; Q160-I163 PolarHBondContact O-N 2.66Å; E161-I163 VanDerWaalsContact C-N 3.32Å; I163-F166 WeakPolarHBondContact O-CB 3.47Å; I163-F166 PolarHBondContact O-N 3.12Å
164D95.1Very high94.5Very high115 Ų115116.3 Ų116.362%0.61559%0.586SS**Hα-helixtrans-71.7-31-178.6-66.5-18.7000112.1Q160 F166Q160-D164 PolarHBondContact NE2-OD1 3.3Å; Q160-D164 PolarHBondContact NE2-OD2 3.13Å; Q160-D164 WeakPolarHBondContact O-CB 3.48Å; Q160-D164 VanDerWaalsContact O-CG 3.25Å; Q160-D164 PolarHBondContact O-N 3.43Å; D164-F166 PolarHBondContact O-N 2.93Å
165A97.1Very high94.3Very high80 Ų80117.3 Ų117.366%0.66160%0.598SS**Hα-helixtrans-66.1-25.8172.100000112.5E161 P167E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.32Å; A165-P167 WeakPolarHBondContact O-CD 3.43Å
166F96.1Very high93.9Very high144 Ų144117.2 Ų117.263%0.63259%0.589SS**SBendtrans-78.2117.7177.9-163.4-90.5000110.4E162 I163 D164 L169E162-F166 PolarHBondContact O-N 3.32Å; I163-F166 WeakPolarHBondContact O-CB 3.47Å; I163-F166 PolarHBondContact O-N 3.12Å; D164-F166 PolarHBondContact O-N 2.93Å; F166-L169 HydrophobicContact CE1-CD1 4.44Å; F166-L169 HydrophobicContact CE1-CG 4.44Å
167P95.7Very high93.4Very high86 Ų86121.2 Ų121.256%0.55859%0.593SS**PPolyproline II helixtrans-68.8141.4-173.728.4-35000111.4A165 L169A165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-L169 PolarHBondContact O-N 2.88Å
168R94.5Very high92.6Very high184 Ų184123 Ų12369%0.69460%0.602SS**PPolyproline II helixtrans-66.1120170.8-171.1-178.6-171.9156.115109.7W170R168-W170 WeakPolarHBondContact CD-O 3.32Å; R168-W170 WeakPolarHBondContact CG-O 3.35Å; R168-W170 PolarHBondContact NE-O 3.16Å
169L95.4Very high91Very high141 Ų141131.8 Ų131.874%0.73864%0.643SS**  trans-81.4-24-175.4-59.1-179.3000114.1F166 P167F166-L169 HydrophobicContact CE1-CD1 4.44Å; F166-L169 HydrophobicContact CE1-CG 4.44Å; P167-L169 PolarHBondContact O-N 2.88Å
170W93.6Very high90.7Very high150 Ų150135 Ų13557%0.56865%0.654SS**  trans-150.8151-177.371.7-71.4000111.8R168 P172 M178R168-W170 WeakPolarHBondContact CD-O 3.32Å; R168-W170 WeakPolarHBondContact CG-O 3.35Å; R168-W170 PolarHBondContact NE-O 3.16Å; W170-P172 HydrophobicContact CE3-CB 4.15Å; W170-P172 HydrophobicContact CH2-CB 3.72Å; W170-P172 VanDerWaalsContact CZ3-CA 3.44Å; W170-P172 HydrophobicContact CZ3-CB 3.5Å; W170-M178 HydrophobicContact CH2-CE 4.41Å; W170-M178 HydrophobicContact CZ2-CE 4.45Å
171I92.7Very high90.5Very high148 Ų148135.7 Ų135.776%0.75966%0.659SS**  trans-106.6112.8178.6-54.4172.5000107.5
172P91.2Very high90.2Very high32 Ų32134.4 Ų134.421%0.20865%0.654CS.*  trans-68.7146.1176.827.8-31.6000110.9W170W170-P172 HydrophobicContact CE3-CB 4.15Å; W170-P172 HydrophobicContact CH2-CB 3.72Å; W170-P172 VanDerWaalsContact CZ3-CA 3.44Å; W170-P172 HydrophobicContact CZ3-CB 3.5Å
173P92.9Very high89.9Confident86 Ų86138.1 Ų138.156%0.55867%0.672SS**  trans-60.7145.3170.3-19.931.5000111.5D175 Y176P173-D175 VanDerWaalsContact C-N 3.27Å; P173-D175 PolarHBondContact O-N 2.95Å; P173-Y176 WeakPolarHBondContact O-CB 3.47Å; P173-Y176 PolarHBondContact O-N 3.43Å; P173-Y176 VanDerWaalsContact O-N 3.1Å
174E89.2Confident89.7Confident199 Ų199142.1 Ų142.193%0.9369%0.691SS**THydrogen-bonded Turntrans-64-32.9-179-63.1-175.8174.500112.5Y176E174-Y176 PolarHBondContact O-N 3.18Å
175D91.1Very high89.3Confident162 Ų162143.9 Ų143.987%0.86670%0.696SS**THydrogen-bonded Turntrans-78.72.3177.6-62.8-35.3000113.8P173 K177P173-D175 VanDerWaalsContact C-N 3.27Å; P173-D175 PolarHBondContact O-N 2.95Å; D175-K177 PolarHBondContact O-N 3.22Å; D175-K177 VanDerWaalsContact O-N 3.08Å
176Y85.9Confident88.7Confident142 Ų142148.5 Ų148.556%0.55770%0.699SS**  trans-76.7100.1-175.9-165.3-99.2000111.6P173 E174 M178P173-Y176 WeakPolarHBondContact O-CB 3.47Å; P173-Y176 PolarHBondContact O-N 3.43Å; P173-Y176 VanDerWaalsContact O-N 3.1Å; E174-Y176 PolarHBondContact O-N 3.18Å; Y176-M178 HydrophobicContact CD1-CG 3.75Å; Y176-M178 HydrophobicContact CE1-CG 3.8Å; Y176-M178 PolarHBondContact O-N 2.88Å; Y176-M178 VanDerWaalsContact O-N 3.08Å
177K85.4Confident88.2Confident189 Ų189148.8 Ų148.882%0.82270%0.704SS**  trans-71101166.2-73.9-172.8179.7179.70109.7D175 K179D175-K177 PolarHBondContact O-N 3.22Å; D175-K177 VanDerWaalsContact O-N 3.08Å; K177-K179 PolarHBondContact O-N 3.26Å
178M76.6Confident87.5Confident138 Ų138154.1 Ų154.168%0.6872%0.716SS**  trans-61.9115.4161.9-70.7-160.4174.500108.1W170 Y176W170-M178 HydrophobicContact CH2-CE 4.41Å; W170-M178 HydrophobicContact CZ2-CE 4.45Å; Y176-M178 HydrophobicContact CD1-CG 3.75Å; Y176-M178 HydrophobicContact CE1-CG 3.8Å; Y176-M178 PolarHBondContact O-N 2.88Å; Y176-M178 VanDerWaalsContact O-N 3.08Å
179K62.1Low86.9Confident278 Ų278151.4 Ų151.4100%1.20972%0.718SS**  trans-83.80168.6-87-173.1175.8-1790110.3K177K177-K179 PolarHBondContact O-N 3.26Å

Retrieved 179 of 179 residues in 202 ms (Link to these results)

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